USER MOD reduce.3.24.130724 H: found=0, std=0, add=607, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 610 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 38 TYR OH : rot 161:sc= 1.24 USER MOD Set 1.2: B 201 ASN : amide:sc= -0.18 X(o=1.1,f=1.2) USER MOD Single : A 8 ASN : amide:sc= -0.0184 K(o=-0.018,f=-1.5!) USER MOD Single : A 9 ASN : amide:sc= -0.0339 K(o=-0.034,f=-0.83) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 31:sc= 1.26 USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 168:sc= 1.28 (180deg=1.12) USER MOD Single : A 18 LYS NZ :NH3+ -155:sc= 1.07 (180deg=0.654) USER MOD Single : A 19 THR OG1 : rot 76:sc= 1.14 USER MOD Single : A 24 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 28 TYR OH : rot -168:sc= 1.02 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 36 HIS :FLIP no HD1:sc= -0.0758 F(o=-2.4!,f=-0.076) USER MOD Single : A 37 THR OG1 : rot 87:sc= 0.0502 USER MOD Single : A 39 GLN : amide:sc= 0 K(o=0,f=-2.1) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= 0.794 K(o=0.79,f=-0.0022) USER MOD Single : A 69 GLN :FLIP amide:sc= 0 F(o=-0.7,f=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 203 GLN : amide:sc= -0.34 K(o=-0.34,f=-1.9!) USER MOD Single : B 204 MET CE :methyl 169:sc= -0.178 (180deg=-0.84) USER MOD Single : B 211 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 52 N VAL A 5 35.197 44.550 39.555 1.00 0.00 N ATOM 53 CA VAL A 5 35.649 43.407 40.285 1.00 0.00 C ATOM 54 C VAL A 5 35.461 42.113 39.572 1.00 0.00 C ATOM 55 O VAL A 5 36.392 41.338 39.360 1.00 0.00 O ATOM 56 CB VAL A 5 34.957 43.331 41.613 1.00 0.00 C ATOM 57 CG1 VAL A 5 35.565 42.193 42.450 1.00 0.00 C ATOM 58 CG2 VAL A 5 35.112 44.689 42.319 1.00 0.00 C ATOM 0 HA VAL A 5 36.723 43.550 40.408 1.00 0.00 H new ATOM 0 HB VAL A 5 33.896 43.117 41.483 1.00 0.00 H new ATOM 0 HG11 VAL A 5 35.060 42.141 43.414 1.00 0.00 H new ATOM 0 HG12 VAL A 5 35.440 41.247 41.923 1.00 0.00 H new ATOM 0 HG13 VAL A 5 36.627 42.384 42.607 1.00 0.00 H new ATOM 0 HG21 VAL A 5 34.615 44.654 43.288 1.00 0.00 H new ATOM 0 HG22 VAL A 5 36.171 44.906 42.462 1.00 0.00 H new ATOM 0 HG23 VAL A 5 34.661 45.471 41.708 1.00 0.00 H new ATOM 68 N GLU A 6 34.219 41.843 39.130 1.00 0.00 N ATOM 69 CA GLU A 6 33.879 40.609 38.494 1.00 0.00 C ATOM 70 C GLU A 6 34.422 40.479 37.112 1.00 0.00 C ATOM 71 O GLU A 6 34.732 39.382 36.652 1.00 0.00 O ATOM 72 CB GLU A 6 32.353 40.417 38.524 1.00 0.00 C ATOM 73 CG GLU A 6 31.589 41.341 37.573 1.00 0.00 C ATOM 74 CD GLU A 6 30.107 41.428 37.911 1.00 0.00 C ATOM 75 OE1 GLU A 6 29.412 40.377 37.919 1.00 0.00 O ATOM 76 OE2 GLU A 6 29.631 42.556 38.209 1.00 0.00 O ATOM 0 H GLU A 6 33.438 42.493 39.216 1.00 0.00 H new ATOM 0 HA GLU A 6 34.357 39.810 39.061 1.00 0.00 H new ATOM 0 HB2 GLU A 6 32.123 39.382 38.271 1.00 0.00 H new ATOM 0 HB3 GLU A 6 31.996 40.584 39.540 1.00 0.00 H new ATOM 0 HG2 GLU A 6 32.026 42.339 37.611 1.00 0.00 H new ATOM 0 HG3 GLU A 6 31.705 40.981 36.551 1.00 0.00 H new ATOM 83 N PHE A 7 34.678 41.622 36.451 1.00 0.00 N ATOM 84 CA PHE A 7 35.414 41.656 35.225 1.00 0.00 C ATOM 85 C PHE A 7 36.799 41.152 35.445 1.00 0.00 C ATOM 86 O PHE A 7 37.286 40.314 34.688 1.00 0.00 O ATOM 87 CB PHE A 7 35.413 43.065 34.609 1.00 0.00 C ATOM 88 CG PHE A 7 35.980 43.100 33.231 1.00 0.00 C ATOM 89 CD1 PHE A 7 35.341 42.440 32.208 1.00 0.00 C ATOM 90 CD2 PHE A 7 37.130 43.802 32.956 1.00 0.00 C ATOM 91 CE1 PHE A 7 35.849 42.463 30.931 1.00 0.00 C ATOM 92 CE2 PHE A 7 37.640 43.840 31.680 1.00 0.00 C ATOM 93 CZ PHE A 7 37.000 43.167 30.665 1.00 0.00 C ATOM 0 H PHE A 7 34.369 42.539 36.773 1.00 0.00 H new ATOM 0 HA PHE A 7 34.923 40.998 34.508 1.00 0.00 H new ATOM 0 HB2 PHE A 7 34.391 43.444 34.585 1.00 0.00 H new ATOM 0 HB3 PHE A 7 35.987 43.735 35.249 1.00 0.00 H new ATOM 0 HD1 PHE A 7 34.429 41.897 32.410 1.00 0.00 H new ATOM 0 HD2 PHE A 7 37.638 44.329 33.750 1.00 0.00 H new ATOM 0 HE1 PHE A 7 35.345 41.929 30.138 1.00 0.00 H new ATOM 0 HE2 PHE A 7 38.542 44.397 31.475 1.00 0.00 H new ATOM 0 HZ PHE A 7 37.400 43.191 29.662 1.00 0.00 H new ATOM 103 N ASN A 8 37.444 41.568 36.550 1.00 0.00 N ATOM 104 CA ASN A 8 38.806 41.299 36.892 1.00 0.00 C ATOM 105 C ASN A 8 38.969 39.906 37.395 1.00 0.00 C ATOM 106 O ASN A 8 39.995 39.261 37.187 1.00 0.00 O ATOM 107 CB ASN A 8 39.264 42.344 37.925 1.00 0.00 C ATOM 108 CG ASN A 8 40.780 42.475 37.981 1.00 0.00 C ATOM 109 OD1 ASN A 8 41.506 42.125 37.052 1.00 0.00 O ATOM 110 ND2 ASN A 8 41.284 43.036 39.113 1.00 0.00 N ATOM 0 H ASN A 8 36.976 42.135 37.257 1.00 0.00 H new ATOM 0 HA ASN A 8 39.435 41.377 36.005 1.00 0.00 H new ATOM 0 HB2 ASN A 8 38.827 43.311 37.678 1.00 0.00 H new ATOM 0 HB3 ASN A 8 38.889 42.067 38.910 1.00 0.00 H new ATOM 0 HD21 ASN A 8 42.290 43.177 39.208 1.00 0.00 H new ATOM 0 HD22 ASN A 8 40.656 43.316 39.867 1.00 0.00 H new ATOM 117 N ASN A 9 37.923 39.342 38.026 1.00 0.00 N ATOM 118 CA ASN A 9 37.833 37.952 38.351 1.00 0.00 C ATOM 119 C ASN A 9 37.821 37.086 37.138 1.00 0.00 C ATOM 120 O ASN A 9 38.465 36.039 37.111 1.00 0.00 O ATOM 121 CB ASN A 9 36.591 37.631 39.198 1.00 0.00 C ATOM 122 CG ASN A 9 36.644 38.353 40.537 1.00 0.00 C ATOM 123 OD1 ASN A 9 37.699 38.696 41.069 1.00 0.00 O ATOM 124 ND2 ASN A 9 35.450 38.576 41.149 1.00 0.00 N ATOM 0 H ASN A 9 37.106 39.877 38.322 1.00 0.00 H new ATOM 0 HA ASN A 9 38.728 37.736 38.934 1.00 0.00 H new ATOM 0 HB2 ASN A 9 35.691 37.925 38.657 1.00 0.00 H new ATOM 0 HB3 ASN A 9 36.527 36.555 39.363 1.00 0.00 H new ATOM 0 HD21 ASN A 9 35.422 39.033 42.061 1.00 0.00 H new ATOM 0 HD22 ASN A 9 34.583 38.286 40.696 1.00 0.00 H new ATOM 131 N ALA A 10 37.142 37.529 36.065 1.00 0.00 N ATOM 132 CA ALA A 10 37.181 36.898 34.783 1.00 0.00 C ATOM 133 C ALA A 10 38.502 37.056 34.113 1.00 0.00 C ATOM 134 O ALA A 10 39.019 36.110 33.520 1.00 0.00 O ATOM 135 CB ALA A 10 36.029 37.387 33.887 1.00 0.00 C ATOM 0 H ALA A 10 36.545 38.356 36.091 1.00 0.00 H new ATOM 0 HA ALA A 10 37.044 35.830 34.950 1.00 0.00 H new ATOM 0 HB1 ALA A 10 36.085 36.890 32.919 1.00 0.00 H new ATOM 0 HB2 ALA A 10 35.075 37.153 34.360 1.00 0.00 H new ATOM 0 HB3 ALA A 10 36.110 38.465 33.746 1.00 0.00 H new ATOM 141 N ILE A 11 39.166 38.220 34.219 1.00 0.00 N ATOM 142 CA ILE A 11 40.498 38.428 33.741 1.00 0.00 C ATOM 143 C ILE A 11 41.472 37.481 34.354 1.00 0.00 C ATOM 144 O ILE A 11 42.240 36.807 33.669 1.00 0.00 O ATOM 145 CB ILE A 11 41.032 39.804 34.004 1.00 0.00 C ATOM 146 CG1 ILE A 11 40.141 40.930 33.451 1.00 0.00 C ATOM 147 CG2 ILE A 11 42.401 40.000 33.329 1.00 0.00 C ATOM 148 CD1 ILE A 11 39.581 40.680 32.052 1.00 0.00 C ATOM 0 H ILE A 11 38.760 39.048 34.654 1.00 0.00 H new ATOM 0 HA ILE A 11 40.406 38.268 32.667 1.00 0.00 H new ATOM 0 HB ILE A 11 41.083 39.869 35.091 1.00 0.00 H new ATOM 0 HG12 ILE A 11 39.308 41.085 34.137 1.00 0.00 H new ATOM 0 HG13 ILE A 11 40.717 41.855 33.436 1.00 0.00 H new ATOM 0 HG21 ILE A 11 42.767 41.006 33.534 1.00 0.00 H new ATOM 0 HG22 ILE A 11 43.108 39.269 33.721 1.00 0.00 H new ATOM 0 HG23 ILE A 11 42.299 39.864 32.252 1.00 0.00 H new ATOM 0 HD11 ILE A 11 38.967 41.528 31.749 1.00 0.00 H new ATOM 0 HD12 ILE A 11 40.404 40.558 31.347 1.00 0.00 H new ATOM 0 HD13 ILE A 11 38.973 39.776 32.060 1.00 0.00 H new ATOM 160 N SER A 12 41.444 37.381 35.694 1.00 0.00 N ATOM 161 CA SER A 12 42.271 36.504 36.465 1.00 0.00 C ATOM 162 C SER A 12 42.107 35.064 36.119 1.00 0.00 C ATOM 163 O SER A 12 43.065 34.293 36.118 1.00 0.00 O ATOM 164 CB SER A 12 42.099 36.730 37.977 1.00 0.00 C ATOM 165 OG SER A 12 43.185 36.191 38.714 1.00 0.00 O ATOM 0 H SER A 12 40.813 37.939 36.269 1.00 0.00 H new ATOM 0 HA SER A 12 43.293 36.768 36.194 1.00 0.00 H new ATOM 0 HB2 SER A 12 42.017 37.798 38.178 1.00 0.00 H new ATOM 0 HB3 SER A 12 41.169 36.270 38.310 1.00 0.00 H new ATOM 0 HG SER A 12 43.044 36.353 39.670 1.00 0.00 H new ATOM 171 N TYR A 13 40.891 34.644 35.725 1.00 0.00 N ATOM 172 CA TYR A 13 40.605 33.344 35.204 1.00 0.00 C ATOM 173 C TYR A 13 41.269 33.079 33.898 1.00 0.00 C ATOM 174 O TYR A 13 41.976 32.085 33.742 1.00 0.00 O ATOM 175 CB TYR A 13 39.080 33.189 35.082 1.00 0.00 C ATOM 176 CG TYR A 13 38.572 31.845 34.690 1.00 0.00 C ATOM 177 CD1 TYR A 13 39.187 30.660 35.020 1.00 0.00 C ATOM 178 CD2 TYR A 13 37.400 31.814 33.970 1.00 0.00 C ATOM 179 CE1 TYR A 13 38.635 29.462 34.634 1.00 0.00 C ATOM 180 CE2 TYR A 13 36.853 30.622 33.555 1.00 0.00 C ATOM 181 CZ TYR A 13 37.472 29.445 33.900 1.00 0.00 C ATOM 182 OH TYR A 13 36.894 28.213 33.527 1.00 0.00 O ATOM 0 H TYR A 13 40.066 35.242 35.773 1.00 0.00 H new ATOM 0 HA TYR A 13 41.009 32.606 35.897 1.00 0.00 H new ATOM 0 HB2 TYR A 13 38.634 33.455 36.040 1.00 0.00 H new ATOM 0 HB3 TYR A 13 38.722 33.914 34.351 1.00 0.00 H new ATOM 0 HD1 TYR A 13 40.107 30.671 35.585 1.00 0.00 H new ATOM 0 HD2 TYR A 13 36.901 32.741 33.727 1.00 0.00 H new ATOM 0 HE1 TYR A 13 39.115 28.534 34.907 1.00 0.00 H new ATOM 0 HE2 TYR A 13 35.948 30.612 32.965 1.00 0.00 H new ATOM 0 HH TYR A 13 37.093 27.538 34.209 1.00 0.00 H new ATOM 192 N VAL A 14 41.110 33.961 32.895 1.00 0.00 N ATOM 193 CA VAL A 14 41.705 33.868 31.599 1.00 0.00 C ATOM 194 C VAL A 14 43.192 33.950 31.652 1.00 0.00 C ATOM 195 O VAL A 14 43.917 33.270 30.927 1.00 0.00 O ATOM 196 CB VAL A 14 41.132 34.927 30.703 1.00 0.00 C ATOM 197 CG1 VAL A 14 41.615 34.771 29.251 1.00 0.00 C ATOM 198 CG2 VAL A 14 39.606 34.753 30.652 1.00 0.00 C ATOM 0 H VAL A 14 40.528 34.792 32.997 1.00 0.00 H new ATOM 0 HA VAL A 14 41.468 32.887 31.188 1.00 0.00 H new ATOM 0 HB VAL A 14 41.444 35.892 31.102 1.00 0.00 H new ATOM 0 HG11 VAL A 14 41.177 35.557 28.636 1.00 0.00 H new ATOM 0 HG12 VAL A 14 42.702 34.848 29.219 1.00 0.00 H new ATOM 0 HG13 VAL A 14 41.309 33.797 28.868 1.00 0.00 H new ATOM 0 HG21 VAL A 14 39.174 35.516 30.004 1.00 0.00 H new ATOM 0 HG22 VAL A 14 39.365 33.765 30.259 1.00 0.00 H new ATOM 0 HG23 VAL A 14 39.194 34.854 31.656 1.00 0.00 H new ATOM 208 N ASN A 15 43.725 34.753 32.591 1.00 0.00 N ATOM 209 CA ASN A 15 45.098 34.738 32.994 1.00 0.00 C ATOM 210 C ASN A 15 45.596 33.434 33.512 1.00 0.00 C ATOM 211 O ASN A 15 46.688 32.987 33.162 1.00 0.00 O ATOM 212 CB ASN A 15 45.350 35.831 34.046 1.00 0.00 C ATOM 213 CG ASN A 15 46.827 36.065 34.332 1.00 0.00 C ATOM 214 OD1 ASN A 15 47.596 36.435 33.447 1.00 0.00 O ATOM 215 ND2 ASN A 15 47.253 35.831 35.603 1.00 0.00 N ATOM 0 H ASN A 15 43.171 35.447 33.094 1.00 0.00 H new ATOM 0 HA ASN A 15 45.660 34.926 32.079 1.00 0.00 H new ATOM 0 HB2 ASN A 15 44.901 36.764 33.705 1.00 0.00 H new ATOM 0 HB3 ASN A 15 44.847 35.556 34.973 1.00 0.00 H new ATOM 0 HD21 ASN A 15 48.235 35.962 35.844 1.00 0.00 H new ATOM 0 HD22 ASN A 15 46.590 35.525 36.315 1.00 0.00 H new ATOM 222 N LYS A 16 44.839 32.740 34.381 1.00 0.00 N ATOM 223 CA LYS A 16 45.138 31.432 34.877 1.00 0.00 C ATOM 224 C LYS A 16 45.205 30.411 33.793 1.00 0.00 C ATOM 225 O LYS A 16 46.114 29.586 33.722 1.00 0.00 O ATOM 226 CB LYS A 16 44.068 31.002 35.893 1.00 0.00 C ATOM 227 CG LYS A 16 44.608 30.266 37.121 1.00 0.00 C ATOM 228 CD LYS A 16 43.530 29.337 37.683 1.00 0.00 C ATOM 229 CE LYS A 16 43.715 28.913 39.142 1.00 0.00 C ATOM 230 NZ LYS A 16 43.019 29.846 40.056 1.00 0.00 N ATOM 0 H LYS A 16 43.968 33.114 34.759 1.00 0.00 H new ATOM 0 HA LYS A 16 46.119 31.489 35.348 1.00 0.00 H new ATOM 0 HB2 LYS A 16 43.527 31.888 36.226 1.00 0.00 H new ATOM 0 HB3 LYS A 16 43.347 30.359 35.389 1.00 0.00 H new ATOM 0 HG2 LYS A 16 45.493 29.690 36.851 1.00 0.00 H new ATOM 0 HG3 LYS A 16 44.915 30.984 37.881 1.00 0.00 H new ATOM 0 HD2 LYS A 16 42.564 29.832 37.587 1.00 0.00 H new ATOM 0 HD3 LYS A 16 43.491 28.440 37.065 1.00 0.00 H new ATOM 0 HE2 LYS A 16 43.329 27.904 39.283 1.00 0.00 H new ATOM 0 HE3 LYS A 16 44.777 28.885 39.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 42.984 29.435 41.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 43.533 30.750 40.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 42.051 30.010 39.714 1.00 0.00 H new ATOM 244 N ILE A 17 44.236 30.488 32.863 1.00 0.00 N ATOM 245 CA ILE A 17 44.130 29.755 31.638 1.00 0.00 C ATOM 246 C ILE A 17 45.323 29.953 30.768 1.00 0.00 C ATOM 247 O ILE A 17 45.956 28.976 30.369 1.00 0.00 O ATOM 248 CB ILE A 17 42.815 30.107 31.011 1.00 0.00 C ATOM 249 CG1 ILE A 17 41.694 29.411 31.801 1.00 0.00 C ATOM 250 CG2 ILE A 17 42.723 29.809 29.504 1.00 0.00 C ATOM 251 CD1 ILE A 17 40.278 29.729 31.323 1.00 0.00 C ATOM 0 H ILE A 17 43.450 31.127 32.983 1.00 0.00 H new ATOM 0 HA ILE A 17 44.133 28.680 31.817 1.00 0.00 H new ATOM 0 HB ILE A 17 42.706 31.190 31.069 1.00 0.00 H new ATOM 0 HG12 ILE A 17 41.847 28.333 31.747 1.00 0.00 H new ATOM 0 HG13 ILE A 17 41.780 29.693 32.850 1.00 0.00 H new ATOM 0 HG21 ILE A 17 41.738 30.095 29.136 1.00 0.00 H new ATOM 0 HG22 ILE A 17 43.487 30.377 28.974 1.00 0.00 H new ATOM 0 HG23 ILE A 17 42.879 28.744 29.334 1.00 0.00 H new ATOM 0 HD11 ILE A 17 39.557 29.193 31.940 1.00 0.00 H new ATOM 0 HD12 ILE A 17 40.099 30.801 31.404 1.00 0.00 H new ATOM 0 HD13 ILE A 17 40.167 29.420 30.284 1.00 0.00 H new ATOM 263 N LYS A 18 45.755 31.195 30.489 1.00 0.00 N ATOM 264 CA LYS A 18 46.985 31.471 29.816 1.00 0.00 C ATOM 265 C LYS A 18 48.185 30.865 30.459 1.00 0.00 C ATOM 266 O LYS A 18 49.013 30.267 29.774 1.00 0.00 O ATOM 267 CB LYS A 18 47.318 32.969 29.700 1.00 0.00 C ATOM 268 CG LYS A 18 46.508 33.775 28.684 1.00 0.00 C ATOM 269 CD LYS A 18 47.307 35.034 28.338 1.00 0.00 C ATOM 270 CE LYS A 18 46.539 36.137 27.606 1.00 0.00 C ATOM 271 NZ LYS A 18 47.455 37.275 27.367 1.00 0.00 N ATOM 0 H LYS A 18 45.232 32.034 30.740 1.00 0.00 H new ATOM 0 HA LYS A 18 46.795 31.029 28.838 1.00 0.00 H new ATOM 0 HB2 LYS A 18 47.183 33.425 30.681 1.00 0.00 H new ATOM 0 HB3 LYS A 18 48.374 33.064 29.446 1.00 0.00 H new ATOM 0 HG2 LYS A 18 46.322 33.183 27.788 1.00 0.00 H new ATOM 0 HG3 LYS A 18 45.535 34.042 29.097 1.00 0.00 H new ATOM 0 HD2 LYS A 18 47.709 35.450 29.262 1.00 0.00 H new ATOM 0 HD3 LYS A 18 48.158 34.742 27.723 1.00 0.00 H new ATOM 0 HE2 LYS A 18 46.148 35.761 26.660 1.00 0.00 H new ATOM 0 HE3 LYS A 18 45.683 36.459 28.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 46.903 38.152 27.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 48.114 37.364 28.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 47.992 37.110 26.492 1.00 0.00 H new ATOM 285 N THR A 19 48.315 31.009 31.790 1.00 0.00 N ATOM 286 CA THR A 19 49.403 30.526 32.582 1.00 0.00 C ATOM 287 C THR A 19 49.587 29.048 32.536 1.00 0.00 C ATOM 288 O THR A 19 50.712 28.553 32.476 1.00 0.00 O ATOM 289 CB THR A 19 49.251 30.964 34.009 1.00 0.00 C ATOM 290 OG1 THR A 19 49.232 32.381 34.094 1.00 0.00 O ATOM 291 CG2 THR A 19 50.435 30.499 34.873 1.00 0.00 C ATOM 0 H THR A 19 47.613 31.495 32.349 1.00 0.00 H new ATOM 0 HA THR A 19 50.297 30.964 32.139 1.00 0.00 H new ATOM 0 HB THR A 19 48.319 30.525 34.367 1.00 0.00 H new ATOM 0 HG1 THR A 19 48.359 32.715 33.798 1.00 0.00 H new ATOM 0 HG21 THR A 19 50.290 30.835 35.900 1.00 0.00 H new ATOM 0 HG22 THR A 19 50.496 29.411 34.852 1.00 0.00 H new ATOM 0 HG23 THR A 19 51.360 30.921 34.480 1.00 0.00 H new ATOM 299 N ARG A 20 48.511 28.242 32.542 1.00 0.00 N ATOM 300 CA ARG A 20 48.639 26.825 32.397 1.00 0.00 C ATOM 301 C ARG A 20 48.714 26.366 30.982 1.00 0.00 C ATOM 302 O ARG A 20 49.392 25.382 30.690 1.00 0.00 O ATOM 303 CB ARG A 20 47.535 26.086 33.171 1.00 0.00 C ATOM 304 CG ARG A 20 47.880 25.909 34.652 1.00 0.00 C ATOM 305 CD ARG A 20 48.985 24.874 34.871 1.00 0.00 C ATOM 306 NE ARG A 20 49.332 24.838 36.320 1.00 0.00 N ATOM 307 CZ ARG A 20 50.465 25.374 36.861 1.00 0.00 C ATOM 308 NH1 ARG A 20 51.346 26.113 36.125 1.00 0.00 N ATOM 309 NH2 ARG A 20 50.752 25.153 38.177 1.00 0.00 N ATOM 0 H ARG A 20 47.551 28.571 32.647 1.00 0.00 H new ATOM 0 HA ARG A 20 49.603 26.568 32.836 1.00 0.00 H new ATOM 0 HB2 ARG A 20 46.600 26.639 33.082 1.00 0.00 H new ATOM 0 HB3 ARG A 20 47.371 25.108 32.719 1.00 0.00 H new ATOM 0 HG2 ARG A 20 48.195 26.867 35.066 1.00 0.00 H new ATOM 0 HG3 ARG A 20 46.987 25.604 35.197 1.00 0.00 H new ATOM 0 HD2 ARG A 20 48.652 23.891 34.539 1.00 0.00 H new ATOM 0 HD3 ARG A 20 49.864 25.130 34.279 1.00 0.00 H new ATOM 0 HE ARG A 20 48.676 24.380 36.953 1.00 0.00 H new ATOM 0 HH11 ARG A 20 51.168 26.281 35.135 1.00 0.00 H new ATOM 0 HH12 ARG A 20 52.182 26.497 36.565 1.00 0.00 H new ATOM 0 HH21 ARG A 20 50.122 24.591 38.749 1.00 0.00 H new ATOM 0 HH22 ARG A 20 51.597 25.550 38.588 1.00 0.00 H new ATOM 323 N PHE A 21 48.079 27.071 30.028 1.00 0.00 N ATOM 324 CA PHE A 21 48.174 26.738 28.641 1.00 0.00 C ATOM 325 C PHE A 21 49.278 27.458 27.947 1.00 0.00 C ATOM 326 O PHE A 21 49.130 27.922 26.817 1.00 0.00 O ATOM 327 CB PHE A 21 46.834 26.999 27.931 1.00 0.00 C ATOM 328 CG PHE A 21 45.733 26.134 28.441 1.00 0.00 C ATOM 329 CD1 PHE A 21 45.873 24.772 28.568 1.00 0.00 C ATOM 330 CD2 PHE A 21 44.516 26.700 28.741 1.00 0.00 C ATOM 331 CE1 PHE A 21 44.833 23.992 29.015 1.00 0.00 C ATOM 332 CE2 PHE A 21 43.472 25.937 29.211 1.00 0.00 C ATOM 333 CZ PHE A 21 43.638 24.581 29.356 1.00 0.00 C ATOM 0 H PHE A 21 47.492 27.882 30.222 1.00 0.00 H new ATOM 0 HA PHE A 21 48.409 25.675 28.590 1.00 0.00 H new ATOM 0 HB2 PHE A 21 46.557 28.045 28.060 1.00 0.00 H new ATOM 0 HB3 PHE A 21 46.956 26.831 26.861 1.00 0.00 H new ATOM 0 HD1 PHE A 21 46.814 24.308 28.313 1.00 0.00 H new ATOM 0 HD2 PHE A 21 44.377 27.762 28.605 1.00 0.00 H new ATOM 0 HE1 PHE A 21 44.954 22.922 29.098 1.00 0.00 H new ATOM 0 HE2 PHE A 21 42.530 26.400 29.464 1.00 0.00 H new ATOM 0 HZ PHE A 21 42.829 23.977 29.738 1.00 0.00 H new ATOM 343 N LEU A 22 50.481 27.530 28.544 1.00 0.00 N ATOM 344 CA LEU A 22 51.661 28.043 27.921 1.00 0.00 C ATOM 345 C LEU A 22 52.228 27.081 26.934 1.00 0.00 C ATOM 346 O LEU A 22 52.668 27.444 25.845 1.00 0.00 O ATOM 347 CB LEU A 22 52.749 28.424 28.940 1.00 0.00 C ATOM 348 CG LEU A 22 52.325 29.605 29.829 1.00 0.00 C ATOM 349 CD1 LEU A 22 53.352 29.748 30.965 1.00 0.00 C ATOM 350 CD2 LEU A 22 52.181 30.941 29.082 1.00 0.00 C ATOM 0 H LEU A 22 50.638 27.217 29.502 1.00 0.00 H new ATOM 0 HA LEU A 22 51.348 28.948 27.400 1.00 0.00 H new ATOM 0 HB2 LEU A 22 52.974 27.562 29.568 1.00 0.00 H new ATOM 0 HB3 LEU A 22 53.666 28.681 28.410 1.00 0.00 H new ATOM 0 HG LEU A 22 51.329 29.378 30.210 1.00 0.00 H new ATOM 0 HD11 LEU A 22 53.069 30.581 31.608 1.00 0.00 H new ATOM 0 HD12 LEU A 22 53.376 28.829 31.551 1.00 0.00 H new ATOM 0 HD13 LEU A 22 54.339 29.935 30.542 1.00 0.00 H new ATOM 0 HD21 LEU A 22 51.879 31.719 29.783 1.00 0.00 H new ATOM 0 HD22 LEU A 22 53.136 31.210 28.630 1.00 0.00 H new ATOM 0 HD23 LEU A 22 51.426 30.842 28.303 1.00 0.00 H new ATOM 362 N ASP A 23 52.168 25.779 27.270 1.00 0.00 N ATOM 363 CA ASP A 23 52.515 24.719 26.375 1.00 0.00 C ATOM 364 C ASP A 23 51.445 24.474 25.368 1.00 0.00 C ATOM 365 O ASP A 23 51.620 23.746 24.392 1.00 0.00 O ATOM 366 CB ASP A 23 52.814 23.447 27.188 1.00 0.00 C ATOM 367 CG ASP A 23 53.845 22.559 26.508 1.00 0.00 C ATOM 368 OD1 ASP A 23 55.007 23.018 26.349 1.00 0.00 O ATOM 369 OD2 ASP A 23 53.530 21.379 26.195 1.00 0.00 O ATOM 0 H ASP A 23 51.870 25.455 28.190 1.00 0.00 H new ATOM 0 HA ASP A 23 53.406 25.009 25.819 1.00 0.00 H new ATOM 0 HB2 ASP A 23 53.175 23.727 28.178 1.00 0.00 H new ATOM 0 HB3 ASP A 23 51.891 22.885 27.332 1.00 0.00 H new ATOM 374 N HIS A 24 50.260 25.086 25.539 1.00 0.00 N ATOM 375 CA HIS A 24 49.139 24.890 24.672 1.00 0.00 C ATOM 376 C HIS A 24 48.589 26.188 24.191 1.00 0.00 C ATOM 377 O HIS A 24 47.491 26.544 24.616 1.00 0.00 O ATOM 378 CB HIS A 24 48.076 24.064 25.417 1.00 0.00 C ATOM 379 CG HIS A 24 48.573 22.749 25.941 1.00 0.00 C ATOM 380 ND1 HIS A 24 48.640 22.425 27.271 1.00 0.00 N ATOM 381 CD2 HIS A 24 48.970 21.642 25.260 1.00 0.00 C ATOM 382 CE1 HIS A 24 49.063 21.181 27.400 1.00 0.00 C ATOM 383 NE2 HIS A 24 49.266 20.684 26.194 1.00 0.00 N ATOM 0 H HIS A 24 50.076 25.736 26.303 1.00 0.00 H new ATOM 0 HA HIS A 24 49.459 24.344 23.784 1.00 0.00 H new ATOM 0 HB2 HIS A 24 47.693 24.653 26.251 1.00 0.00 H new ATOM 0 HB3 HIS A 24 47.238 23.881 24.745 1.00 0.00 H new ATOM 0 HD2 HIS A 24 49.039 21.537 24.187 1.00 0.00 H new ATOM 0 HE1 HIS A 24 49.217 20.659 28.333 1.00 0.00 H new ATOM 0 HE2 HIS A 24 49.591 19.739 25.990 1.00 0.00 H new ATOM 392 N PRO A 25 49.179 26.964 23.330 1.00 0.00 N ATOM 393 CA PRO A 25 48.663 28.248 22.955 1.00 0.00 C ATOM 394 C PRO A 25 47.522 28.171 21.999 1.00 0.00 C ATOM 395 O PRO A 25 47.040 29.195 21.516 1.00 0.00 O ATOM 396 CB PRO A 25 49.861 28.943 22.309 1.00 0.00 C ATOM 397 CG PRO A 25 50.659 27.793 21.675 1.00 0.00 C ATOM 398 CD PRO A 25 50.466 26.677 22.715 1.00 0.00 C ATOM 0 HA PRO A 25 48.257 28.777 23.817 1.00 0.00 H new ATOM 0 HB2 PRO A 25 49.545 29.670 21.561 1.00 0.00 H new ATOM 0 HB3 PRO A 25 50.455 29.482 23.047 1.00 0.00 H new ATOM 0 HG2 PRO A 25 50.269 27.514 20.696 1.00 0.00 H new ATOM 0 HG3 PRO A 25 51.710 28.049 21.538 1.00 0.00 H new ATOM 0 HD2 PRO A 25 50.470 25.693 22.246 1.00 0.00 H new ATOM 0 HD3 PRO A 25 51.268 26.681 23.454 1.00 0.00 H new ATOM 406 N GLU A 26 47.063 26.947 21.684 1.00 0.00 N ATOM 407 CA GLU A 26 46.004 26.607 20.785 1.00 0.00 C ATOM 408 C GLU A 26 44.656 26.720 21.411 1.00 0.00 C ATOM 409 O GLU A 26 43.653 26.963 20.743 1.00 0.00 O ATOM 410 CB GLU A 26 46.231 25.183 20.250 1.00 0.00 C ATOM 411 CG GLU A 26 47.721 24.910 20.033 1.00 0.00 C ATOM 412 CD GLU A 26 47.986 23.647 19.226 1.00 0.00 C ATOM 413 OE1 GLU A 26 47.732 22.537 19.766 1.00 0.00 O ATOM 414 OE2 GLU A 26 48.468 23.742 18.066 1.00 0.00 O ATOM 0 H GLU A 26 47.477 26.114 22.102 1.00 0.00 H new ATOM 0 HA GLU A 26 46.023 27.324 19.964 1.00 0.00 H new ATOM 0 HB2 GLU A 26 45.823 24.457 20.953 1.00 0.00 H new ATOM 0 HB3 GLU A 26 45.693 25.053 19.311 1.00 0.00 H new ATOM 0 HG2 GLU A 26 48.169 25.762 19.521 1.00 0.00 H new ATOM 0 HG3 GLU A 26 48.213 24.825 21.002 1.00 0.00 H new ATOM 421 N ILE A 27 44.572 26.539 22.741 1.00 0.00 N ATOM 422 CA ILE A 27 43.348 26.484 23.478 1.00 0.00 C ATOM 423 C ILE A 27 42.593 27.767 23.410 1.00 0.00 C ATOM 424 O ILE A 27 41.367 27.772 23.312 1.00 0.00 O ATOM 425 CB ILE A 27 43.516 26.070 24.910 1.00 0.00 C ATOM 426 CG1 ILE A 27 44.597 25.009 25.180 1.00 0.00 C ATOM 427 CG2 ILE A 27 42.192 25.488 25.432 1.00 0.00 C ATOM 428 CD1 ILE A 27 44.672 23.849 24.187 1.00 0.00 C ATOM 0 H ILE A 27 45.397 26.426 23.330 1.00 0.00 H new ATOM 0 HA ILE A 27 42.770 25.703 22.985 1.00 0.00 H new ATOM 0 HB ILE A 27 43.828 26.983 25.417 1.00 0.00 H new ATOM 0 HG12 ILE A 27 45.567 25.506 25.199 1.00 0.00 H new ATOM 0 HG13 ILE A 27 44.431 24.597 26.175 1.00 0.00 H new ATOM 0 HG21 ILE A 27 42.312 25.187 26.473 1.00 0.00 H new ATOM 0 HG22 ILE A 27 41.409 26.243 25.361 1.00 0.00 H new ATOM 0 HG23 ILE A 27 41.914 24.621 24.833 1.00 0.00 H new ATOM 0 HD11 ILE A 27 45.470 23.168 24.482 1.00 0.00 H new ATOM 0 HD12 ILE A 27 43.723 23.314 24.181 1.00 0.00 H new ATOM 0 HD13 ILE A 27 44.877 24.237 23.189 1.00 0.00 H new ATOM 440 N TYR A 28 43.312 28.903 23.360 1.00 0.00 N ATOM 441 CA TYR A 28 42.826 30.220 23.085 1.00 0.00 C ATOM 442 C TYR A 28 42.076 30.382 21.807 1.00 0.00 C ATOM 443 O TYR A 28 41.276 31.302 21.650 1.00 0.00 O ATOM 444 CB TYR A 28 44.000 31.214 23.096 1.00 0.00 C ATOM 445 CG TYR A 28 43.718 32.424 23.918 1.00 0.00 C ATOM 446 CD1 TYR A 28 44.005 32.421 25.263 1.00 0.00 C ATOM 447 CD2 TYR A 28 43.222 33.571 23.342 1.00 0.00 C ATOM 448 CE1 TYR A 28 43.830 33.557 26.018 1.00 0.00 C ATOM 449 CE2 TYR A 28 43.053 34.713 24.088 1.00 0.00 C ATOM 450 CZ TYR A 28 43.373 34.710 25.426 1.00 0.00 C ATOM 451 OH TYR A 28 43.279 35.893 26.189 1.00 0.00 O ATOM 0 H TYR A 28 44.318 28.898 23.526 1.00 0.00 H new ATOM 0 HA TYR A 28 42.104 30.420 23.877 1.00 0.00 H new ATOM 0 HB2 TYR A 28 44.889 30.716 23.482 1.00 0.00 H new ATOM 0 HB3 TYR A 28 44.224 31.518 22.073 1.00 0.00 H new ATOM 0 HD1 TYR A 28 44.371 31.519 25.730 1.00 0.00 H new ATOM 0 HD2 TYR A 28 42.963 33.574 22.294 1.00 0.00 H new ATOM 0 HE1 TYR A 28 44.051 33.543 27.075 1.00 0.00 H new ATOM 0 HE2 TYR A 28 42.670 35.610 23.625 1.00 0.00 H new ATOM 0 HH TYR A 28 42.767 36.564 25.691 1.00 0.00 H new ATOM 461 N ARG A 29 42.221 29.464 20.834 1.00 0.00 N ATOM 462 CA ARG A 29 41.304 29.396 19.738 1.00 0.00 C ATOM 463 C ARG A 29 40.036 28.733 20.156 1.00 0.00 C ATOM 464 O ARG A 29 38.969 29.344 20.174 1.00 0.00 O ATOM 465 CB ARG A 29 41.873 28.595 18.556 1.00 0.00 C ATOM 466 CG ARG A 29 43.087 29.203 17.848 1.00 0.00 C ATOM 467 CD ARG A 29 42.789 30.480 17.060 1.00 0.00 C ATOM 468 NE ARG A 29 43.921 30.708 16.117 1.00 0.00 N ATOM 469 CZ ARG A 29 43.983 30.201 14.851 1.00 0.00 C ATOM 470 NH1 ARG A 29 43.019 29.404 14.306 1.00 0.00 N ATOM 471 NH2 ARG A 29 45.055 30.515 14.067 1.00 0.00 N ATOM 0 H ARG A 29 42.970 28.772 20.806 1.00 0.00 H new ATOM 0 HA ARG A 29 41.124 30.425 19.427 1.00 0.00 H new ATOM 0 HB2 ARG A 29 42.147 27.603 18.915 1.00 0.00 H new ATOM 0 HB3 ARG A 29 41.080 28.460 17.821 1.00 0.00 H new ATOM 0 HG2 ARG A 29 43.854 29.421 18.591 1.00 0.00 H new ATOM 0 HG3 ARG A 29 43.504 28.461 17.168 1.00 0.00 H new ATOM 0 HD2 ARG A 29 41.851 30.382 16.514 1.00 0.00 H new ATOM 0 HD3 ARG A 29 42.677 31.328 17.735 1.00 0.00 H new ATOM 0 HE ARG A 29 44.701 31.281 16.439 1.00 0.00 H new ATOM 0 HH11 ARG A 29 42.194 29.156 14.852 1.00 0.00 H new ATOM 0 HH12 ARG A 29 43.124 29.056 13.353 1.00 0.00 H new ATOM 0 HH21 ARG A 29 45.793 31.119 14.430 1.00 0.00 H new ATOM 0 HH22 ARG A 29 45.119 30.146 13.118 1.00 0.00 H new ATOM 485 N SER A 30 40.105 27.459 20.580 1.00 0.00 N ATOM 486 CA SER A 30 38.970 26.590 20.642 1.00 0.00 C ATOM 487 C SER A 30 38.034 26.904 21.758 1.00 0.00 C ATOM 488 O SER A 30 36.816 26.844 21.592 1.00 0.00 O ATOM 489 CB SER A 30 39.422 25.120 20.667 1.00 0.00 C ATOM 490 OG SER A 30 38.339 24.215 20.515 1.00 0.00 O ATOM 0 H SER A 30 40.973 27.021 20.888 1.00 0.00 H new ATOM 0 HA SER A 30 38.393 26.763 19.734 1.00 0.00 H new ATOM 0 HB2 SER A 30 40.146 24.952 19.869 1.00 0.00 H new ATOM 0 HB3 SER A 30 39.932 24.916 21.608 1.00 0.00 H new ATOM 0 HG SER A 30 38.676 23.295 20.536 1.00 0.00 H new ATOM 496 N PHE A 31 38.556 27.319 22.925 1.00 0.00 N ATOM 497 CA PHE A 31 37.797 27.686 24.079 1.00 0.00 C ATOM 498 C PHE A 31 36.781 28.743 23.810 1.00 0.00 C ATOM 499 O PHE A 31 35.592 28.594 24.084 1.00 0.00 O ATOM 500 CB PHE A 31 38.808 28.114 25.157 1.00 0.00 C ATOM 501 CG PHE A 31 38.314 28.718 26.427 1.00 0.00 C ATOM 502 CD1 PHE A 31 37.098 28.430 27.001 1.00 0.00 C ATOM 503 CD2 PHE A 31 39.147 29.605 27.065 1.00 0.00 C ATOM 504 CE1 PHE A 31 36.708 29.039 28.170 1.00 0.00 C ATOM 505 CE2 PHE A 31 38.757 30.242 28.220 1.00 0.00 C ATOM 506 CZ PHE A 31 37.536 29.952 28.780 1.00 0.00 C ATOM 0 H PHE A 31 39.562 27.403 23.071 1.00 0.00 H new ATOM 0 HA PHE A 31 37.206 26.834 24.414 1.00 0.00 H new ATOM 0 HB2 PHE A 31 39.397 27.235 25.420 1.00 0.00 H new ATOM 0 HB3 PHE A 31 39.491 28.829 24.699 1.00 0.00 H new ATOM 0 HD1 PHE A 31 36.441 27.716 26.527 1.00 0.00 H new ATOM 0 HD2 PHE A 31 40.125 29.806 26.653 1.00 0.00 H new ATOM 0 HE1 PHE A 31 35.751 28.800 28.610 1.00 0.00 H new ATOM 0 HE2 PHE A 31 39.408 30.967 28.685 1.00 0.00 H new ATOM 0 HZ PHE A 31 37.228 30.438 29.694 1.00 0.00 H new ATOM 516 N LEU A 32 37.203 29.852 23.177 1.00 0.00 N ATOM 517 CA LEU A 32 36.358 30.978 22.924 1.00 0.00 C ATOM 518 C LEU A 32 35.485 30.756 21.737 1.00 0.00 C ATOM 519 O LEU A 32 34.328 31.172 21.710 1.00 0.00 O ATOM 520 CB LEU A 32 37.162 32.254 22.624 1.00 0.00 C ATOM 521 CG LEU A 32 38.473 32.387 23.418 1.00 0.00 C ATOM 522 CD1 LEU A 32 39.352 33.389 22.650 1.00 0.00 C ATOM 523 CD2 LEU A 32 38.236 32.779 24.886 1.00 0.00 C ATOM 0 H LEU A 32 38.156 29.969 22.832 1.00 0.00 H new ATOM 0 HA LEU A 32 35.769 31.097 23.833 1.00 0.00 H new ATOM 0 HB2 LEU A 32 37.393 32.280 21.559 1.00 0.00 H new ATOM 0 HB3 LEU A 32 36.535 33.120 22.835 1.00 0.00 H new ATOM 0 HG LEU A 32 38.983 31.426 23.489 1.00 0.00 H new ATOM 0 HD11 LEU A 32 40.299 33.519 23.175 1.00 0.00 H new ATOM 0 HD12 LEU A 32 39.543 33.011 21.646 1.00 0.00 H new ATOM 0 HD13 LEU A 32 38.838 34.348 22.585 1.00 0.00 H new ATOM 0 HD21 LEU A 32 39.194 32.859 25.400 1.00 0.00 H new ATOM 0 HD22 LEU A 32 37.720 33.738 24.928 1.00 0.00 H new ATOM 0 HD23 LEU A 32 37.626 32.018 25.372 1.00 0.00 H new ATOM 535 N GLU A 33 36.009 30.080 20.699 1.00 0.00 N ATOM 536 CA GLU A 33 35.227 29.534 19.632 1.00 0.00 C ATOM 537 C GLU A 33 34.030 28.740 20.029 1.00 0.00 C ATOM 538 O GLU A 33 32.981 28.854 19.397 1.00 0.00 O ATOM 539 CB GLU A 33 36.086 28.801 18.587 1.00 0.00 C ATOM 540 CG GLU A 33 36.444 29.648 17.364 1.00 0.00 C ATOM 541 CD GLU A 33 37.706 30.495 17.431 1.00 0.00 C ATOM 542 OE1 GLU A 33 37.817 31.420 18.278 1.00 0.00 O ATOM 543 OE2 GLU A 33 38.572 30.291 16.538 1.00 0.00 O ATOM 0 H GLU A 33 37.009 29.907 20.598 1.00 0.00 H new ATOM 0 HA GLU A 33 34.801 30.421 19.162 1.00 0.00 H new ATOM 0 HB2 GLU A 33 37.006 28.462 19.063 1.00 0.00 H new ATOM 0 HB3 GLU A 33 35.553 27.910 18.255 1.00 0.00 H new ATOM 0 HG2 GLU A 33 36.535 28.979 16.508 1.00 0.00 H new ATOM 0 HG3 GLU A 33 35.605 30.313 17.160 1.00 0.00 H new ATOM 550 N ILE A 34 34.077 27.952 21.117 1.00 0.00 N ATOM 551 CA ILE A 34 32.951 27.336 21.748 1.00 0.00 C ATOM 552 C ILE A 34 32.084 28.316 22.460 1.00 0.00 C ATOM 553 O ILE A 34 30.869 28.298 22.272 1.00 0.00 O ATOM 554 CB ILE A 34 33.419 26.222 22.637 1.00 0.00 C ATOM 555 CG1 ILE A 34 34.084 25.092 21.833 1.00 0.00 C ATOM 556 CG2 ILE A 34 32.267 25.657 23.483 1.00 0.00 C ATOM 557 CD1 ILE A 34 35.039 24.245 22.673 1.00 0.00 C ATOM 0 H ILE A 34 34.956 27.731 21.585 1.00 0.00 H new ATOM 0 HA ILE A 34 32.314 26.910 20.973 1.00 0.00 H new ATOM 0 HB ILE A 34 34.165 26.649 23.307 1.00 0.00 H new ATOM 0 HG12 ILE A 34 33.311 24.449 21.412 1.00 0.00 H new ATOM 0 HG13 ILE A 34 34.631 25.523 20.995 1.00 0.00 H new ATOM 0 HG21 ILE A 34 32.641 24.852 24.115 1.00 0.00 H new ATOM 0 HG22 ILE A 34 31.853 26.448 24.109 1.00 0.00 H new ATOM 0 HG23 ILE A 34 31.488 25.270 22.825 1.00 0.00 H new ATOM 0 HD11 ILE A 34 35.477 23.465 22.050 1.00 0.00 H new ATOM 0 HD12 ILE A 34 35.831 24.878 23.072 1.00 0.00 H new ATOM 0 HD13 ILE A 34 34.491 23.787 23.496 1.00 0.00 H new ATOM 569 N LEU A 35 32.595 29.270 23.259 1.00 0.00 N ATOM 570 CA LEU A 35 31.758 30.265 23.853 1.00 0.00 C ATOM 571 C LEU A 35 31.105 31.181 22.876 1.00 0.00 C ATOM 572 O LEU A 35 30.104 31.831 23.173 1.00 0.00 O ATOM 573 CB LEU A 35 32.509 31.119 24.888 1.00 0.00 C ATOM 574 CG LEU A 35 33.425 30.373 25.873 1.00 0.00 C ATOM 575 CD1 LEU A 35 33.471 31.214 27.160 1.00 0.00 C ATOM 576 CD2 LEU A 35 33.018 28.983 26.392 1.00 0.00 C ATOM 0 H LEU A 35 33.584 29.352 23.493 1.00 0.00 H new ATOM 0 HA LEU A 35 30.977 29.683 24.342 1.00 0.00 H new ATOM 0 HB2 LEU A 35 33.113 31.850 24.351 1.00 0.00 H new ATOM 0 HB3 LEU A 35 31.772 31.677 25.466 1.00 0.00 H new ATOM 0 HG LEU A 35 34.334 30.232 25.288 1.00 0.00 H new ATOM 0 HD11 LEU A 35 34.112 30.723 27.893 1.00 0.00 H new ATOM 0 HD12 LEU A 35 33.869 32.203 26.934 1.00 0.00 H new ATOM 0 HD13 LEU A 35 32.464 31.312 27.566 1.00 0.00 H new ATOM 0 HD21 LEU A 35 33.782 28.611 27.074 1.00 0.00 H new ATOM 0 HD22 LEU A 35 32.066 29.055 26.918 1.00 0.00 H new ATOM 0 HD23 LEU A 35 32.917 28.296 25.552 1.00 0.00 H new ATOM 588 N HIS A 36 31.603 31.287 21.631 1.00 0.00 N ATOM 589 CA HIS A 36 30.952 31.958 20.549 1.00 0.00 C ATOM 590 C HIS A 36 29.677 31.330 20.100 1.00 0.00 C ATOM 591 O HIS A 36 28.809 32.045 19.602 1.00 0.00 O ATOM 592 CB HIS A 36 31.855 32.180 19.325 1.00 0.00 C ATOM 593 CG HIS A 36 32.966 33.157 19.578 1.00 0.00 C ATOM 594 ND1 HIS A 36 34.313 33.012 19.463 1.00 0.00 N flip ATOM 595 CD2 HIS A 36 32.738 34.470 19.896 1.00 0.00 C flip ATOM 596 CE1 HIS A 36 34.865 34.238 19.726 1.00 0.00 C flip ATOM 597 NE2 HIS A 36 33.896 35.098 19.976 1.00 0.00 N flip ATOM 0 H HIS A 36 32.503 30.886 21.367 1.00 0.00 H new ATOM 0 HA HIS A 36 30.709 32.925 20.991 1.00 0.00 H new ATOM 0 HB2 HIS A 36 32.282 31.225 19.019 1.00 0.00 H new ATOM 0 HB3 HIS A 36 31.248 32.538 18.494 1.00 0.00 H new ATOM 0 HD2 HIS A 36 31.768 34.918 20.055 1.00 0.00 H new ATOM 0 HE1 HIS A 36 35.921 34.464 19.728 1.00 0.00 H new ATOM 0 HE2 HIS A 36 34.021 36.086 20.195 1.00 0.00 H new ATOM 606 N THR A 37 29.444 30.020 20.301 1.00 0.00 N ATOM 607 CA THR A 37 28.177 29.379 20.134 1.00 0.00 C ATOM 608 C THR A 37 27.128 30.012 20.982 1.00 0.00 C ATOM 609 O THR A 37 25.983 30.211 20.579 1.00 0.00 O ATOM 610 CB THR A 37 28.232 27.939 20.552 1.00 0.00 C ATOM 611 OG1 THR A 37 29.256 27.222 19.878 1.00 0.00 O ATOM 612 CG2 THR A 37 26.928 27.186 20.241 1.00 0.00 C ATOM 0 H THR A 37 30.178 29.376 20.595 1.00 0.00 H new ATOM 0 HA THR A 37 27.937 29.474 19.075 1.00 0.00 H new ATOM 0 HB THR A 37 28.416 27.978 21.626 1.00 0.00 H new ATOM 0 HG1 THR A 37 30.100 27.319 20.367 1.00 0.00 H new ATOM 0 HG21 THR A 37 27.021 26.149 20.563 1.00 0.00 H new ATOM 0 HG22 THR A 37 26.100 27.658 20.771 1.00 0.00 H new ATOM 0 HG23 THR A 37 26.737 27.217 19.168 1.00 0.00 H new ATOM 620 N TYR A 38 27.529 30.368 22.216 1.00 0.00 N ATOM 621 CA TYR A 38 26.751 31.093 23.172 1.00 0.00 C ATOM 622 C TYR A 38 26.606 32.527 22.795 1.00 0.00 C ATOM 623 O TYR A 38 25.511 33.055 22.600 1.00 0.00 O ATOM 624 CB TYR A 38 27.466 30.963 24.527 1.00 0.00 C ATOM 625 CG TYR A 38 26.666 31.307 25.737 1.00 0.00 C ATOM 626 CD1 TYR A 38 26.584 32.614 26.158 1.00 0.00 C ATOM 627 CD2 TYR A 38 26.196 30.298 26.543 1.00 0.00 C ATOM 628 CE1 TYR A 38 26.073 32.910 27.401 1.00 0.00 C ATOM 629 CE2 TYR A 38 25.676 30.595 27.779 1.00 0.00 C ATOM 630 CZ TYR A 38 25.618 31.898 28.212 1.00 0.00 C ATOM 631 OH TYR A 38 25.143 32.222 29.501 1.00 0.00 O ATOM 0 H TYR A 38 28.457 30.134 22.568 1.00 0.00 H new ATOM 0 HA TYR A 38 25.742 30.683 23.217 1.00 0.00 H new ATOM 0 HB2 TYR A 38 27.817 29.936 24.631 1.00 0.00 H new ATOM 0 HB3 TYR A 38 28.349 31.601 24.509 1.00 0.00 H new ATOM 0 HD1 TYR A 38 26.922 33.410 25.511 1.00 0.00 H new ATOM 0 HD2 TYR A 38 26.235 29.273 26.205 1.00 0.00 H new ATOM 0 HE1 TYR A 38 26.030 33.935 27.738 1.00 0.00 H new ATOM 0 HE2 TYR A 38 25.311 29.801 28.414 1.00 0.00 H new ATOM 0 HH TYR A 38 24.585 31.490 29.838 1.00 0.00 H new ATOM 641 N GLN A 39 27.747 33.233 22.705 1.00 0.00 N ATOM 642 CA GLN A 39 27.833 34.659 22.650 1.00 0.00 C ATOM 643 C GLN A 39 27.428 35.303 21.369 1.00 0.00 C ATOM 644 O GLN A 39 27.103 36.490 21.361 1.00 0.00 O ATOM 645 CB GLN A 39 29.248 35.048 23.113 1.00 0.00 C ATOM 646 CG GLN A 39 29.297 36.299 23.994 1.00 0.00 C ATOM 647 CD GLN A 39 29.693 37.566 23.251 1.00 0.00 C ATOM 648 OE1 GLN A 39 30.862 37.783 22.933 1.00 0.00 O ATOM 649 NE2 GLN A 39 28.705 38.456 22.965 1.00 0.00 N ATOM 0 H GLN A 39 28.661 32.782 22.669 1.00 0.00 H new ATOM 0 HA GLN A 39 27.075 35.062 23.322 1.00 0.00 H new ATOM 0 HB2 GLN A 39 29.681 34.212 23.663 1.00 0.00 H new ATOM 0 HB3 GLN A 39 29.874 35.210 22.235 1.00 0.00 H new ATOM 0 HG2 GLN A 39 28.318 36.448 24.449 1.00 0.00 H new ATOM 0 HG3 GLN A 39 30.004 36.131 24.806 1.00 0.00 H new ATOM 0 HE21 GLN A 39 27.743 38.255 23.238 1.00 0.00 H new ATOM 0 HE22 GLN A 39 28.926 39.324 22.477 1.00 0.00 H new ATOM 898 N SER A 54 22.191 25.339 25.708 1.00 0.00 N ATOM 899 CA SER A 54 22.223 24.771 27.020 1.00 0.00 C ATOM 900 C SER A 54 23.575 24.985 27.609 1.00 0.00 C ATOM 901 O SER A 54 24.613 24.748 26.992 1.00 0.00 O ATOM 902 CB SER A 54 21.832 23.284 27.066 1.00 0.00 C ATOM 903 OG SER A 54 22.748 22.425 26.403 1.00 0.00 O ATOM 0 HA SER A 54 21.465 25.283 27.612 1.00 0.00 H new ATOM 0 HB2 SER A 54 21.747 22.973 28.107 1.00 0.00 H new ATOM 0 HB3 SER A 54 20.846 23.164 26.616 1.00 0.00 H new ATOM 0 HG SER A 54 22.437 21.498 26.474 1.00 0.00 H new ATOM 909 N GLU A 55 23.629 25.470 28.862 1.00 0.00 N ATOM 910 CA GLU A 55 24.833 25.925 29.486 1.00 0.00 C ATOM 911 C GLU A 55 25.770 24.816 29.821 1.00 0.00 C ATOM 912 O GLU A 55 26.976 25.015 29.954 1.00 0.00 O ATOM 913 CB GLU A 55 24.493 26.903 30.624 1.00 0.00 C ATOM 914 CG GLU A 55 23.536 27.975 30.098 1.00 0.00 C ATOM 915 CD GLU A 55 23.338 29.188 30.995 1.00 0.00 C ATOM 916 OE1 GLU A 55 22.850 29.027 32.145 1.00 0.00 O ATOM 917 OE2 GLU A 55 23.584 30.319 30.496 1.00 0.00 O ATOM 0 H GLU A 55 22.807 25.548 29.461 1.00 0.00 H new ATOM 0 HA GLU A 55 25.420 26.502 28.771 1.00 0.00 H new ATOM 0 HB2 GLU A 55 24.036 26.367 31.456 1.00 0.00 H new ATOM 0 HB3 GLU A 55 25.403 27.366 31.005 1.00 0.00 H new ATOM 0 HG2 GLU A 55 23.903 28.319 29.131 1.00 0.00 H new ATOM 0 HG3 GLU A 55 22.564 27.513 29.925 1.00 0.00 H new ATOM 924 N GLU A 56 25.270 23.569 29.886 1.00 0.00 N ATOM 925 CA GLU A 56 26.077 22.389 29.903 1.00 0.00 C ATOM 926 C GLU A 56 26.812 22.078 28.644 1.00 0.00 C ATOM 927 O GLU A 56 27.778 21.320 28.708 1.00 0.00 O ATOM 928 CB GLU A 56 25.275 21.144 30.317 1.00 0.00 C ATOM 929 CG GLU A 56 24.744 21.214 31.750 1.00 0.00 C ATOM 930 CD GLU A 56 24.242 19.872 32.262 1.00 0.00 C ATOM 931 OE1 GLU A 56 23.263 19.307 31.705 1.00 0.00 O ATOM 932 OE2 GLU A 56 24.827 19.344 33.245 1.00 0.00 O ATOM 0 H GLU A 56 24.269 23.376 29.928 1.00 0.00 H new ATOM 0 HA GLU A 56 26.832 22.634 30.650 1.00 0.00 H new ATOM 0 HB2 GLU A 56 24.437 21.016 29.632 1.00 0.00 H new ATOM 0 HB3 GLU A 56 25.908 20.262 30.214 1.00 0.00 H new ATOM 0 HG2 GLU A 56 25.535 21.575 32.408 1.00 0.00 H new ATOM 0 HG3 GLU A 56 23.933 21.941 31.797 1.00 0.00 H new ATOM 939 N GLU A 57 26.447 22.554 27.440 1.00 0.00 N ATOM 940 CA GLU A 57 27.097 22.092 26.253 1.00 0.00 C ATOM 941 C GLU A 57 28.386 22.814 26.062 1.00 0.00 C ATOM 942 O GLU A 57 29.408 22.263 25.653 1.00 0.00 O ATOM 943 CB GLU A 57 26.270 22.125 24.957 1.00 0.00 C ATOM 944 CG GLU A 57 26.626 23.227 23.958 1.00 0.00 C ATOM 945 CD GLU A 57 26.015 23.005 22.582 1.00 0.00 C ATOM 946 OE1 GLU A 57 24.765 22.909 22.445 1.00 0.00 O ATOM 947 OE2 GLU A 57 26.813 22.878 21.616 1.00 0.00 O ATOM 0 H GLU A 57 25.714 23.247 27.289 1.00 0.00 H new ATOM 0 HA GLU A 57 27.260 21.029 26.434 1.00 0.00 H new ATOM 0 HB2 GLU A 57 26.377 21.162 24.458 1.00 0.00 H new ATOM 0 HB3 GLU A 57 25.218 22.231 25.224 1.00 0.00 H new ATOM 0 HG2 GLU A 57 26.288 24.187 24.349 1.00 0.00 H new ATOM 0 HG3 GLU A 57 27.710 23.286 23.862 1.00 0.00 H new ATOM 954 N VAL A 58 28.362 24.129 26.343 1.00 0.00 N ATOM 955 CA VAL A 58 29.463 25.014 26.121 1.00 0.00 C ATOM 956 C VAL A 58 30.581 24.662 27.042 1.00 0.00 C ATOM 957 O VAL A 58 31.759 24.637 26.689 1.00 0.00 O ATOM 958 CB VAL A 58 28.908 26.407 26.135 1.00 0.00 C ATOM 959 CG1 VAL A 58 28.913 27.081 27.517 1.00 0.00 C ATOM 960 CG2 VAL A 58 29.706 27.342 25.211 1.00 0.00 C ATOM 0 H VAL A 58 27.545 24.593 26.740 1.00 0.00 H new ATOM 0 HA VAL A 58 29.948 24.922 25.149 1.00 0.00 H new ATOM 0 HB VAL A 58 27.879 26.272 25.802 1.00 0.00 H new ATOM 0 HG11 VAL A 58 28.495 28.084 27.434 1.00 0.00 H new ATOM 0 HG12 VAL A 58 28.312 26.493 28.211 1.00 0.00 H new ATOM 0 HG13 VAL A 58 29.936 27.144 27.887 1.00 0.00 H new ATOM 0 HG21 VAL A 58 29.276 28.343 25.246 1.00 0.00 H new ATOM 0 HG22 VAL A 58 30.744 27.382 25.542 1.00 0.00 H new ATOM 0 HG23 VAL A 58 29.665 26.965 24.189 1.00 0.00 H new ATOM 970 N PHE A 59 30.170 24.192 28.234 1.00 0.00 N ATOM 971 CA PHE A 59 30.920 23.418 29.174 1.00 0.00 C ATOM 972 C PHE A 59 31.458 22.138 28.633 1.00 0.00 C ATOM 973 O PHE A 59 32.670 21.928 28.642 1.00 0.00 O ATOM 974 CB PHE A 59 30.055 23.149 30.417 1.00 0.00 C ATOM 975 CG PHE A 59 30.755 22.543 31.584 1.00 0.00 C ATOM 976 CD1 PHE A 59 30.848 21.178 31.727 1.00 0.00 C ATOM 977 CD2 PHE A 59 31.233 23.351 32.589 1.00 0.00 C ATOM 978 CE1 PHE A 59 31.423 20.629 32.849 1.00 0.00 C ATOM 979 CE2 PHE A 59 31.807 22.813 33.717 1.00 0.00 C ATOM 980 CZ PHE A 59 31.902 21.447 33.845 1.00 0.00 C ATOM 0 H PHE A 59 29.223 24.372 28.569 1.00 0.00 H new ATOM 0 HA PHE A 59 31.797 24.013 29.430 1.00 0.00 H new ATOM 0 HB2 PHE A 59 29.610 24.092 30.736 1.00 0.00 H new ATOM 0 HB3 PHE A 59 29.235 22.491 30.129 1.00 0.00 H new ATOM 0 HD1 PHE A 59 30.466 20.532 30.951 1.00 0.00 H new ATOM 0 HD2 PHE A 59 31.156 24.424 32.491 1.00 0.00 H new ATOM 0 HE1 PHE A 59 31.498 19.556 32.948 1.00 0.00 H new ATOM 0 HE2 PHE A 59 32.181 23.459 34.497 1.00 0.00 H new ATOM 0 HZ PHE A 59 32.353 21.017 34.727 1.00 0.00 H new ATOM 990 N THR A 60 30.610 21.218 28.143 1.00 0.00 N ATOM 991 CA THR A 60 30.942 19.921 27.638 1.00 0.00 C ATOM 992 C THR A 60 31.998 19.883 26.589 1.00 0.00 C ATOM 993 O THR A 60 32.825 18.975 26.530 1.00 0.00 O ATOM 994 CB THR A 60 29.746 19.122 27.212 1.00 0.00 C ATOM 995 OG1 THR A 60 29.782 17.809 27.752 1.00 0.00 O ATOM 996 CG2 THR A 60 29.549 18.970 25.694 1.00 0.00 C ATOM 0 H THR A 60 29.607 21.397 28.096 1.00 0.00 H new ATOM 0 HA THR A 60 31.382 19.442 28.512 1.00 0.00 H new ATOM 0 HB THR A 60 28.914 19.710 27.599 1.00 0.00 H new ATOM 0 HG1 THR A 60 28.989 17.313 27.459 1.00 0.00 H new ATOM 0 HG21 THR A 60 28.656 18.375 25.501 1.00 0.00 H new ATOM 0 HG22 THR A 60 29.434 19.955 25.242 1.00 0.00 H new ATOM 0 HG23 THR A 60 30.417 18.472 25.263 1.00 0.00 H new ATOM 1004 N GLU A 61 32.015 20.908 25.718 1.00 0.00 N ATOM 1005 CA GLU A 61 33.006 21.096 24.704 1.00 0.00 C ATOM 1006 C GLU A 61 34.307 21.541 25.278 1.00 0.00 C ATOM 1007 O GLU A 61 35.304 20.845 25.089 1.00 0.00 O ATOM 1008 CB GLU A 61 32.427 22.027 23.624 1.00 0.00 C ATOM 1009 CG GLU A 61 31.307 21.407 22.786 1.00 0.00 C ATOM 1010 CD GLU A 61 31.836 20.689 21.553 1.00 0.00 C ATOM 1011 OE1 GLU A 61 32.594 19.691 21.677 1.00 0.00 O ATOM 1012 OE2 GLU A 61 31.503 21.131 20.421 1.00 0.00 O ATOM 0 H GLU A 61 31.304 21.640 25.721 1.00 0.00 H new ATOM 0 HA GLU A 61 33.247 20.148 24.222 1.00 0.00 H new ATOM 0 HB2 GLU A 61 32.047 22.928 24.105 1.00 0.00 H new ATOM 0 HB3 GLU A 61 33.233 22.336 22.958 1.00 0.00 H new ATOM 0 HG2 GLU A 61 30.744 20.703 23.400 1.00 0.00 H new ATOM 0 HG3 GLU A 61 30.612 22.188 22.478 1.00 0.00 H new ATOM 1019 N VAL A 62 34.360 22.622 26.075 1.00 0.00 N ATOM 1020 CA VAL A 62 35.507 23.122 26.767 1.00 0.00 C ATOM 1021 C VAL A 62 36.171 22.122 27.651 1.00 0.00 C ATOM 1022 O VAL A 62 37.384 22.102 27.851 1.00 0.00 O ATOM 1023 CB VAL A 62 35.097 24.314 27.580 1.00 0.00 C ATOM 1024 CG1 VAL A 62 36.227 24.851 28.474 1.00 0.00 C ATOM 1025 CG2 VAL A 62 34.688 25.436 26.611 1.00 0.00 C ATOM 0 H VAL A 62 33.532 23.192 26.249 1.00 0.00 H new ATOM 0 HA VAL A 62 36.243 23.386 26.007 1.00 0.00 H new ATOM 0 HB VAL A 62 34.280 24.001 28.230 1.00 0.00 H new ATOM 0 HG11 VAL A 62 35.868 25.713 29.036 1.00 0.00 H new ATOM 0 HG12 VAL A 62 36.544 24.072 29.167 1.00 0.00 H new ATOM 0 HG13 VAL A 62 37.072 25.150 27.853 1.00 0.00 H new ATOM 0 HG21 VAL A 62 34.385 26.315 27.180 1.00 0.00 H new ATOM 0 HG22 VAL A 62 35.533 25.691 25.972 1.00 0.00 H new ATOM 0 HG23 VAL A 62 33.855 25.098 25.994 1.00 0.00 H new ATOM 1035 N ALA A 63 35.376 21.169 28.172 1.00 0.00 N ATOM 1036 CA ALA A 63 35.780 20.102 29.034 1.00 0.00 C ATOM 1037 C ALA A 63 36.814 19.216 28.427 1.00 0.00 C ATOM 1038 O ALA A 63 37.684 18.708 29.132 1.00 0.00 O ATOM 1039 CB ALA A 63 34.591 19.199 29.400 1.00 0.00 C ATOM 0 H ALA A 63 34.376 21.144 27.974 1.00 0.00 H new ATOM 0 HA ALA A 63 36.193 20.598 29.913 1.00 0.00 H new ATOM 0 HB1 ALA A 63 34.931 18.398 30.056 1.00 0.00 H new ATOM 0 HB2 ALA A 63 33.830 19.789 29.912 1.00 0.00 H new ATOM 0 HB3 ALA A 63 34.167 18.769 28.492 1.00 0.00 H new ATOM 1045 N ASN A 64 36.768 19.025 27.096 1.00 0.00 N ATOM 1046 CA ASN A 64 37.738 18.200 26.445 1.00 0.00 C ATOM 1047 C ASN A 64 39.053 18.891 26.319 1.00 0.00 C ATOM 1048 O ASN A 64 40.118 18.280 26.382 1.00 0.00 O ATOM 1049 CB ASN A 64 37.392 17.742 25.019 1.00 0.00 C ATOM 1050 CG ASN A 64 35.976 17.200 24.891 1.00 0.00 C ATOM 1051 OD1 ASN A 64 35.672 16.025 25.093 1.00 0.00 O ATOM 1052 ND2 ASN A 64 35.081 18.138 24.480 1.00 0.00 N ATOM 0 H ASN A 64 36.069 19.436 26.477 1.00 0.00 H new ATOM 0 HA ASN A 64 37.763 17.328 27.099 1.00 0.00 H new ATOM 0 HB2 ASN A 64 37.516 18.581 24.335 1.00 0.00 H new ATOM 0 HB3 ASN A 64 38.098 16.971 24.710 1.00 0.00 H new ATOM 0 HD21 ASN A 64 34.106 17.880 24.325 1.00 0.00 H new ATOM 0 HD22 ASN A 64 35.384 19.100 24.327 1.00 0.00 H new ATOM 1059 N LEU A 65 39.034 20.222 26.133 1.00 0.00 N ATOM 1060 CA LEU A 65 40.169 21.055 25.887 1.00 0.00 C ATOM 1061 C LEU A 65 41.088 21.094 27.059 1.00 0.00 C ATOM 1062 O LEU A 65 42.310 21.168 26.946 1.00 0.00 O ATOM 1063 CB LEU A 65 39.770 22.514 25.602 1.00 0.00 C ATOM 1064 CG LEU A 65 39.115 22.765 24.234 1.00 0.00 C ATOM 1065 CD1 LEU A 65 37.796 21.994 24.049 1.00 0.00 C ATOM 1066 CD2 LEU A 65 38.844 24.272 24.083 1.00 0.00 C ATOM 0 H LEU A 65 38.163 20.753 26.156 1.00 0.00 H new ATOM 0 HA LEU A 65 40.659 20.616 25.018 1.00 0.00 H new ATOM 0 HB2 LEU A 65 39.082 22.843 26.381 1.00 0.00 H new ATOM 0 HB3 LEU A 65 40.661 23.138 25.679 1.00 0.00 H new ATOM 0 HG LEU A 65 39.805 22.407 23.470 1.00 0.00 H new ATOM 0 HD11 LEU A 65 37.382 22.212 23.065 1.00 0.00 H new ATOM 0 HD12 LEU A 65 37.985 20.924 24.134 1.00 0.00 H new ATOM 0 HD13 LEU A 65 37.085 22.299 24.817 1.00 0.00 H new ATOM 0 HD21 LEU A 65 38.379 24.463 23.116 1.00 0.00 H new ATOM 0 HD22 LEU A 65 38.176 24.603 24.878 1.00 0.00 H new ATOM 0 HD23 LEU A 65 39.785 24.819 24.148 1.00 0.00 H new ATOM 1078 N PHE A 66 40.466 21.084 28.252 1.00 0.00 N ATOM 1079 CA PHE A 66 41.077 21.386 29.509 1.00 0.00 C ATOM 1080 C PHE A 66 41.371 20.144 30.279 1.00 0.00 C ATOM 1081 O PHE A 66 41.877 20.205 31.398 1.00 0.00 O ATOM 1082 CB PHE A 66 40.130 22.223 30.385 1.00 0.00 C ATOM 1083 CG PHE A 66 39.888 23.639 29.990 1.00 0.00 C ATOM 1084 CD1 PHE A 66 40.306 24.232 28.821 1.00 0.00 C ATOM 1085 CD2 PHE A 66 39.183 24.399 30.893 1.00 0.00 C ATOM 1086 CE1 PHE A 66 40.021 25.551 28.556 1.00 0.00 C ATOM 1087 CE2 PHE A 66 38.904 25.722 30.647 1.00 0.00 C ATOM 1088 CZ PHE A 66 39.322 26.302 29.472 1.00 0.00 C ATOM 0 H PHE A 66 39.477 20.851 28.343 1.00 0.00 H new ATOM 0 HA PHE A 66 41.995 21.929 29.284 1.00 0.00 H new ATOM 0 HB2 PHE A 66 39.166 21.715 30.417 1.00 0.00 H new ATOM 0 HB3 PHE A 66 40.525 22.221 31.401 1.00 0.00 H new ATOM 0 HD1 PHE A 66 40.866 23.653 28.101 1.00 0.00 H new ATOM 0 HD2 PHE A 66 38.842 23.948 31.813 1.00 0.00 H new ATOM 0 HE1 PHE A 66 40.346 25.997 27.628 1.00 0.00 H new ATOM 0 HE2 PHE A 66 38.358 26.305 31.374 1.00 0.00 H new ATOM 0 HZ PHE A 66 39.103 27.340 29.270 1.00 0.00 H new ATOM 1098 N ARG A 67 41.040 18.970 29.713 1.00 0.00 N ATOM 1099 CA ARG A 67 40.848 17.733 30.405 1.00 0.00 C ATOM 1100 C ARG A 67 41.940 17.294 31.318 1.00 0.00 C ATOM 1101 O ARG A 67 43.098 17.123 30.941 1.00 0.00 O ATOM 1102 CB ARG A 67 40.432 16.663 29.382 1.00 0.00 C ATOM 1103 CG ARG A 67 41.534 16.199 28.427 1.00 0.00 C ATOM 1104 CD ARG A 67 41.086 15.140 27.417 1.00 0.00 C ATOM 1105 NE ARG A 67 42.195 14.902 26.453 1.00 0.00 N ATOM 1106 CZ ARG A 67 43.310 14.158 26.715 1.00 0.00 C ATOM 1107 NH1 ARG A 67 43.492 13.499 27.896 1.00 0.00 N ATOM 1108 NH2 ARG A 67 44.286 14.046 25.767 1.00 0.00 N ATOM 0 H ARG A 67 40.897 18.879 28.707 1.00 0.00 H new ATOM 0 HA ARG A 67 40.047 17.902 31.125 1.00 0.00 H new ATOM 0 HB2 ARG A 67 40.056 15.795 29.923 1.00 0.00 H new ATOM 0 HB3 ARG A 67 39.604 17.054 28.791 1.00 0.00 H new ATOM 0 HG2 ARG A 67 41.916 17.064 27.884 1.00 0.00 H new ATOM 0 HG3 ARG A 67 42.362 15.799 29.013 1.00 0.00 H new ATOM 0 HD2 ARG A 67 40.826 14.214 27.930 1.00 0.00 H new ATOM 0 HD3 ARG A 67 40.192 15.474 26.890 1.00 0.00 H new ATOM 0 HE ARG A 67 42.116 15.326 25.529 1.00 0.00 H new ATOM 0 HH11 ARG A 67 42.780 13.551 28.624 1.00 0.00 H new ATOM 0 HH12 ARG A 67 44.340 12.954 28.050 1.00 0.00 H new ATOM 0 HH21 ARG A 67 44.180 14.517 24.868 1.00 0.00 H new ATOM 0 HH22 ARG A 67 45.121 13.492 25.957 1.00 0.00 H new ATOM 1122 N GLY A 68 41.619 17.150 32.616 1.00 0.00 N ATOM 1123 CA GLY A 68 42.570 16.921 33.660 1.00 0.00 C ATOM 1124 C GLY A 68 42.599 18.088 34.586 1.00 0.00 C ATOM 1125 O GLY A 68 42.616 17.929 35.805 1.00 0.00 O ATOM 0 H GLY A 68 40.657 17.195 32.952 1.00 0.00 H new ATOM 0 HA2 GLY A 68 42.309 16.016 34.209 1.00 0.00 H new ATOM 0 HA3 GLY A 68 43.560 16.760 33.233 1.00 0.00 H new ATOM 1129 N GLN A 69 42.588 19.316 34.036 1.00 0.00 N ATOM 1130 CA GLN A 69 42.696 20.544 34.761 1.00 0.00 C ATOM 1131 C GLN A 69 41.362 21.045 35.198 1.00 0.00 C ATOM 1132 O GLN A 69 40.838 22.072 34.773 1.00 0.00 O ATOM 1133 CB GLN A 69 43.421 21.624 33.941 1.00 0.00 C ATOM 1134 CG GLN A 69 44.808 21.189 33.463 1.00 0.00 C ATOM 1135 CD GLN A 69 45.577 22.226 32.656 1.00 0.00 C ATOM 1136 OE1 GLN A 69 44.867 23.252 32.113 1.00 0.00 O flip ATOM 1137 NE2 GLN A 69 46.790 22.124 32.482 1.00 0.00 N flip ATOM 0 H GLN A 69 42.499 19.459 33.030 1.00 0.00 H new ATOM 0 HA GLN A 69 43.290 20.330 35.650 1.00 0.00 H new ATOM 0 HB2 GLN A 69 42.811 21.885 33.076 1.00 0.00 H new ATOM 0 HB3 GLN A 69 43.519 22.526 34.546 1.00 0.00 H new ATOM 0 HG2 GLN A 69 45.404 20.916 34.334 1.00 0.00 H new ATOM 0 HG3 GLN A 69 44.699 20.290 32.857 1.00 0.00 H new ATOM 0 HE21 GLN A 69 47.301 21.346 32.899 1.00 0.00 H new ATOM 0 HE22 GLN A 69 47.285 22.817 31.921 1.00 0.00 H new ATOM 1146 N GLU A 70 40.799 20.289 36.158 1.00 0.00 N ATOM 1147 CA GLU A 70 39.517 20.395 36.782 1.00 0.00 C ATOM 1148 C GLU A 70 39.240 21.713 37.424 1.00 0.00 C ATOM 1149 O GLU A 70 38.119 22.218 37.410 1.00 0.00 O ATOM 1150 CB GLU A 70 39.404 19.265 37.818 1.00 0.00 C ATOM 1151 CG GLU A 70 40.496 19.292 38.889 1.00 0.00 C ATOM 1152 CD GLU A 70 40.525 18.059 39.781 1.00 0.00 C ATOM 1153 OE1 GLU A 70 41.029 16.998 39.327 1.00 0.00 O ATOM 1154 OE2 GLU A 70 40.105 18.165 40.964 1.00 0.00 O ATOM 0 H GLU A 70 41.317 19.500 36.544 1.00 0.00 H new ATOM 0 HA GLU A 70 38.767 20.308 35.996 1.00 0.00 H new ATOM 0 HB2 GLU A 70 38.431 19.328 38.304 1.00 0.00 H new ATOM 0 HB3 GLU A 70 39.440 18.306 37.300 1.00 0.00 H new ATOM 0 HG2 GLU A 70 41.465 19.397 38.401 1.00 0.00 H new ATOM 0 HG3 GLU A 70 40.356 20.175 39.513 1.00 0.00 H new ATOM 1161 N ASP A 71 40.283 22.349 37.988 1.00 0.00 N ATOM 1162 CA ASP A 71 40.238 23.549 38.764 1.00 0.00 C ATOM 1163 C ASP A 71 39.754 24.718 37.977 1.00 0.00 C ATOM 1164 O ASP A 71 39.108 25.628 38.497 1.00 0.00 O ATOM 1165 CB ASP A 71 41.631 23.815 39.362 1.00 0.00 C ATOM 1166 CG ASP A 71 42.175 22.547 40.002 1.00 0.00 C ATOM 1167 OD1 ASP A 71 42.850 21.765 39.282 1.00 0.00 O ATOM 1168 OD2 ASP A 71 41.943 22.310 41.219 1.00 0.00 O ATOM 0 H ASP A 71 41.234 21.993 37.892 1.00 0.00 H new ATOM 0 HA ASP A 71 39.516 23.410 39.569 1.00 0.00 H new ATOM 0 HB2 ASP A 71 42.311 24.159 38.582 1.00 0.00 H new ATOM 0 HB3 ASP A 71 41.571 24.610 40.105 1.00 0.00 H new ATOM 1173 N LEU A 72 39.978 24.716 36.651 1.00 0.00 N ATOM 1174 CA LEU A 72 39.478 25.715 35.757 1.00 0.00 C ATOM 1175 C LEU A 72 37.996 25.673 35.610 1.00 0.00 C ATOM 1176 O LEU A 72 37.318 26.698 35.667 1.00 0.00 O ATOM 1177 CB LEU A 72 40.128 25.564 34.371 1.00 0.00 C ATOM 1178 CG LEU A 72 41.664 25.639 34.385 1.00 0.00 C ATOM 1179 CD1 LEU A 72 42.181 25.476 32.946 1.00 0.00 C ATOM 1180 CD2 LEU A 72 42.197 26.948 34.992 1.00 0.00 C ATOM 0 H LEU A 72 40.526 23.994 36.184 1.00 0.00 H new ATOM 0 HA LEU A 72 39.738 26.679 36.195 1.00 0.00 H new ATOM 0 HB2 LEU A 72 39.826 24.609 33.942 1.00 0.00 H new ATOM 0 HB3 LEU A 72 39.743 26.344 33.714 1.00 0.00 H new ATOM 0 HG LEU A 72 42.030 24.833 35.022 1.00 0.00 H new ATOM 0 HD11 LEU A 72 43.270 25.527 32.943 1.00 0.00 H new ATOM 0 HD12 LEU A 72 41.862 24.511 32.552 1.00 0.00 H new ATOM 0 HD13 LEU A 72 41.778 26.274 32.322 1.00 0.00 H new ATOM 0 HD21 LEU A 72 43.287 26.940 34.973 1.00 0.00 H new ATOM 0 HD22 LEU A 72 41.830 27.794 34.411 1.00 0.00 H new ATOM 0 HD23 LEU A 72 41.852 27.038 36.022 1.00 0.00 H new ATOM 1192 N LEU A 73 37.390 24.483 35.446 1.00 0.00 N ATOM 1193 CA LEU A 73 35.976 24.333 35.298 1.00 0.00 C ATOM 1194 C LEU A 73 35.250 24.496 36.590 1.00 0.00 C ATOM 1195 O LEU A 73 34.061 24.799 36.660 1.00 0.00 O ATOM 1196 CB LEU A 73 35.619 22.992 34.636 1.00 0.00 C ATOM 1197 CG LEU A 73 36.231 22.924 33.226 1.00 0.00 C ATOM 1198 CD1 LEU A 73 37.201 21.731 33.193 1.00 0.00 C ATOM 1199 CD2 LEU A 73 35.170 22.951 32.112 1.00 0.00 C ATOM 0 H LEU A 73 37.899 23.600 35.416 1.00 0.00 H new ATOM 0 HA LEU A 73 35.646 25.136 34.639 1.00 0.00 H new ATOM 0 HB2 LEU A 73 35.991 22.167 35.243 1.00 0.00 H new ATOM 0 HB3 LEU A 73 34.536 22.882 34.577 1.00 0.00 H new ATOM 0 HG LEU A 73 36.807 23.824 33.010 1.00 0.00 H new ATOM 0 HD11 LEU A 73 37.652 21.656 32.204 1.00 0.00 H new ATOM 0 HD12 LEU A 73 37.983 21.877 33.938 1.00 0.00 H new ATOM 0 HD13 LEU A 73 36.656 20.813 33.414 1.00 0.00 H new ATOM 0 HD21 LEU A 73 35.661 22.901 31.140 1.00 0.00 H new ATOM 0 HD22 LEU A 73 34.502 22.098 32.225 1.00 0.00 H new ATOM 0 HD23 LEU A 73 34.594 23.874 32.180 1.00 0.00 H new ATOM 1211 N SER A 74 36.003 24.334 37.694 1.00 0.00 N ATOM 1212 CA SER A 74 35.607 24.679 39.024 1.00 0.00 C ATOM 1213 C SER A 74 35.317 26.131 39.182 1.00 0.00 C ATOM 1214 O SER A 74 34.265 26.524 39.683 1.00 0.00 O ATOM 1215 CB SER A 74 36.613 24.175 40.072 1.00 0.00 C ATOM 1216 OG SER A 74 36.032 24.074 41.364 1.00 0.00 O ATOM 0 H SER A 74 36.943 23.939 37.654 1.00 0.00 H new ATOM 0 HA SER A 74 34.666 24.160 39.206 1.00 0.00 H new ATOM 0 HB2 SER A 74 36.994 23.200 39.769 1.00 0.00 H new ATOM 0 HB3 SER A 74 37.466 24.852 40.110 1.00 0.00 H new ATOM 0 HG SER A 74 36.703 23.749 42.000 1.00 0.00 H new ATOM 1222 N GLU A 75 36.201 27.004 38.665 1.00 0.00 N ATOM 1223 CA GLU A 75 35.973 28.412 38.550 1.00 0.00 C ATOM 1224 C GLU A 75 34.968 28.801 37.522 1.00 0.00 C ATOM 1225 O GLU A 75 34.404 29.894 37.577 1.00 0.00 O ATOM 1226 CB GLU A 75 37.266 29.204 38.292 1.00 0.00 C ATOM 1227 CG GLU A 75 38.004 29.540 39.588 1.00 0.00 C ATOM 1228 CD GLU A 75 39.183 30.482 39.390 1.00 0.00 C ATOM 1229 OE1 GLU A 75 38.984 31.652 38.967 1.00 0.00 O ATOM 1230 OE2 GLU A 75 40.325 30.072 39.730 1.00 0.00 O ATOM 0 H GLU A 75 37.114 26.716 38.312 1.00 0.00 H new ATOM 0 HA GLU A 75 35.565 28.673 39.526 1.00 0.00 H new ATOM 0 HB2 GLU A 75 37.922 28.625 37.642 1.00 0.00 H new ATOM 0 HB3 GLU A 75 37.026 30.126 37.763 1.00 0.00 H new ATOM 0 HG2 GLU A 75 37.302 29.992 40.289 1.00 0.00 H new ATOM 0 HG3 GLU A 75 38.360 28.616 40.044 1.00 0.00 H new ATOM 1237 N PHE A 76 34.638 27.911 36.569 1.00 0.00 N ATOM 1238 CA PHE A 76 33.590 28.125 35.619 1.00 0.00 C ATOM 1239 C PHE A 76 32.251 27.989 36.255 1.00 0.00 C ATOM 1240 O PHE A 76 31.256 28.558 35.809 1.00 0.00 O ATOM 1241 CB PHE A 76 33.801 27.093 34.497 1.00 0.00 C ATOM 1242 CG PHE A 76 33.427 27.432 33.096 1.00 0.00 C ATOM 1243 CD1 PHE A 76 33.538 28.694 32.560 1.00 0.00 C ATOM 1244 CD2 PHE A 76 33.111 26.385 32.262 1.00 0.00 C ATOM 1245 CE1 PHE A 76 33.280 28.908 31.226 1.00 0.00 C ATOM 1246 CE2 PHE A 76 32.870 26.584 30.923 1.00 0.00 C ATOM 1247 CZ PHE A 76 32.961 27.854 30.402 1.00 0.00 C ATOM 0 H PHE A 76 35.114 27.016 36.456 1.00 0.00 H new ATOM 0 HA PHE A 76 33.623 29.137 35.217 1.00 0.00 H new ATOM 0 HB2 PHE A 76 34.858 26.827 34.495 1.00 0.00 H new ATOM 0 HB3 PHE A 76 33.247 26.196 34.773 1.00 0.00 H new ATOM 0 HD1 PHE A 76 33.829 29.521 33.190 1.00 0.00 H new ATOM 0 HD2 PHE A 76 33.051 25.386 32.667 1.00 0.00 H new ATOM 0 HE1 PHE A 76 33.328 29.909 30.823 1.00 0.00 H new ATOM 0 HE2 PHE A 76 32.612 25.751 30.286 1.00 0.00 H new ATOM 0 HZ PHE A 76 32.783 28.023 29.350 1.00 0.00 H new ATOM 1257 N GLY A 77 32.195 27.261 37.385 1.00 0.00 N ATOM 1258 CA GLY A 77 31.041 26.955 38.172 1.00 0.00 C ATOM 1259 C GLY A 77 30.415 28.097 38.896 1.00 0.00 C ATOM 1260 O GLY A 77 29.278 28.013 39.355 1.00 0.00 O ATOM 0 H GLY A 77 33.039 26.849 37.783 1.00 0.00 H new ATOM 0 HA2 GLY A 77 30.290 26.510 37.519 1.00 0.00 H new ATOM 0 HA3 GLY A 77 31.317 26.196 38.904 1.00 0.00 H new ATOM 1264 N GLN A 78 31.130 29.225 39.060 1.00 0.00 N ATOM 1265 CA GLN A 78 30.680 30.353 39.816 1.00 0.00 C ATOM 1266 C GLN A 78 29.524 31.043 39.176 1.00 0.00 C ATOM 1267 O GLN A 78 28.558 31.432 39.830 1.00 0.00 O ATOM 1268 CB GLN A 78 31.873 31.293 40.060 1.00 0.00 C ATOM 1269 CG GLN A 78 33.058 30.479 40.584 1.00 0.00 C ATOM 1270 CD GLN A 78 34.270 31.315 40.969 1.00 0.00 C ATOM 1271 OE1 GLN A 78 34.795 31.233 42.078 1.00 0.00 O ATOM 1272 NE2 GLN A 78 34.783 32.120 40.000 1.00 0.00 N ATOM 0 H GLN A 78 32.055 29.356 38.651 1.00 0.00 H new ATOM 0 HA GLN A 78 30.301 30.009 40.778 1.00 0.00 H new ATOM 0 HB2 GLN A 78 32.146 31.801 39.135 1.00 0.00 H new ATOM 0 HB3 GLN A 78 31.601 32.066 40.779 1.00 0.00 H new ATOM 0 HG2 GLN A 78 32.735 29.907 41.454 1.00 0.00 H new ATOM 0 HG3 GLN A 78 33.355 29.759 39.821 1.00 0.00 H new ATOM 0 HE21 GLN A 78 34.330 32.172 39.087 1.00 0.00 H new ATOM 0 HE22 GLN A 78 35.620 32.672 40.186 1.00 0.00 H new ATOM 1466 N ASN B 201 28.959 36.250 33.735 1.00 0.00 N ATOM 1467 CA ASN B 201 28.542 35.096 32.999 1.00 0.00 C ATOM 1468 C ASN B 201 29.477 34.811 31.875 1.00 0.00 C ATOM 1469 O ASN B 201 30.468 35.512 31.679 1.00 0.00 O ATOM 1470 CB ASN B 201 27.064 35.158 32.579 1.00 0.00 C ATOM 1471 CG ASN B 201 26.705 36.084 31.426 1.00 0.00 C ATOM 1472 OD1 ASN B 201 26.756 37.309 31.511 1.00 0.00 O ATOM 1473 ND2 ASN B 201 26.271 35.475 30.289 1.00 0.00 N ATOM 0 HA ASN B 201 28.597 34.239 33.670 1.00 0.00 H new ATOM 0 HB2 ASN B 201 26.746 34.150 32.314 1.00 0.00 H new ATOM 0 HB3 ASN B 201 26.479 35.458 33.448 1.00 0.00 H new ATOM 0 HD21 ASN B 201 25.981 36.037 29.488 1.00 0.00 H new ATOM 0 HD22 ASN B 201 26.236 34.457 30.237 1.00 0.00 H new ATOM 1480 N ILE B 202 29.197 33.772 31.067 1.00 0.00 N ATOM 1481 CA ILE B 202 30.012 33.348 29.970 1.00 0.00 C ATOM 1482 C ILE B 202 30.248 34.389 28.931 1.00 0.00 C ATOM 1483 O ILE B 202 31.328 34.453 28.345 1.00 0.00 O ATOM 1484 CB ILE B 202 29.576 32.018 29.430 1.00 0.00 C ATOM 1485 CG1 ILE B 202 30.412 30.940 30.141 1.00 0.00 C ATOM 1486 CG2 ILE B 202 29.666 31.920 27.899 1.00 0.00 C ATOM 1487 CD1 ILE B 202 30.054 29.494 29.803 1.00 0.00 C ATOM 0 H ILE B 202 28.361 33.200 31.185 1.00 0.00 H new ATOM 0 HA ILE B 202 31.009 33.194 30.383 1.00 0.00 H new ATOM 0 HB ILE B 202 28.516 31.873 29.637 1.00 0.00 H new ATOM 0 HG12 ILE B 202 31.462 31.101 29.897 1.00 0.00 H new ATOM 0 HG13 ILE B 202 30.310 31.078 31.217 1.00 0.00 H new ATOM 0 HG21 ILE B 202 29.336 30.932 27.578 1.00 0.00 H new ATOM 0 HG22 ILE B 202 29.029 32.680 27.448 1.00 0.00 H new ATOM 0 HG23 ILE B 202 30.698 32.078 27.584 1.00 0.00 H new ATOM 0 HD11 ILE B 202 30.704 28.819 30.359 1.00 0.00 H new ATOM 0 HD12 ILE B 202 29.016 29.303 30.074 1.00 0.00 H new ATOM 0 HD13 ILE B 202 30.186 29.327 28.734 1.00 0.00 H new ATOM 1499 N GLN B 203 29.290 35.306 28.706 1.00 0.00 N ATOM 1500 CA GLN B 203 29.388 36.433 27.832 1.00 0.00 C ATOM 1501 C GLN B 203 30.619 37.258 27.985 1.00 0.00 C ATOM 1502 O GLN B 203 31.232 37.686 27.009 1.00 0.00 O ATOM 1503 CB GLN B 203 28.119 37.291 27.975 1.00 0.00 C ATOM 1504 CG GLN B 203 28.053 38.597 27.182 1.00 0.00 C ATOM 1505 CD GLN B 203 28.608 39.794 27.941 1.00 0.00 C ATOM 1506 OE1 GLN B 203 28.902 39.741 29.134 1.00 0.00 O ATOM 1507 NE2 GLN B 203 28.740 40.947 27.232 1.00 0.00 N ATOM 0 H GLN B 203 28.382 35.255 29.169 1.00 0.00 H new ATOM 0 HA GLN B 203 29.472 36.029 26.823 1.00 0.00 H new ATOM 0 HB2 GLN B 203 27.265 36.679 27.685 1.00 0.00 H new ATOM 0 HB3 GLN B 203 27.994 37.532 29.031 1.00 0.00 H new ATOM 0 HG2 GLN B 203 28.608 38.477 26.252 1.00 0.00 H new ATOM 0 HG3 GLN B 203 27.016 38.797 26.911 1.00 0.00 H new ATOM 0 HE21 GLN B 203 28.490 40.969 26.243 1.00 0.00 H new ATOM 0 HE22 GLN B 203 29.089 41.790 27.689 1.00 0.00 H new ATOM 1516 N MET B 204 31.060 37.472 29.239 1.00 0.00 N ATOM 1517 CA MET B 204 32.168 38.301 29.599 1.00 0.00 C ATOM 1518 C MET B 204 33.508 37.732 29.278 1.00 0.00 C ATOM 1519 O MET B 204 34.492 38.461 29.163 1.00 0.00 O ATOM 1520 CB MET B 204 32.007 38.583 31.102 1.00 0.00 C ATOM 1521 CG MET B 204 32.467 39.988 31.494 1.00 0.00 C ATOM 1522 SD MET B 204 31.910 40.535 33.137 1.00 0.00 S ATOM 1523 CE MET B 204 32.751 39.234 34.084 1.00 0.00 C ATOM 0 H MET B 204 30.615 37.040 30.049 1.00 0.00 H new ATOM 0 HA MET B 204 32.145 39.212 29.001 1.00 0.00 H new ATOM 0 HB2 MET B 204 30.961 38.457 31.381 1.00 0.00 H new ATOM 0 HB3 MET B 204 32.578 37.847 31.668 1.00 0.00 H new ATOM 0 HG2 MET B 204 33.556 40.021 31.464 1.00 0.00 H new ATOM 0 HG3 MET B 204 32.106 40.696 30.748 1.00 0.00 H new ATOM 0 HE1 MET B 204 32.714 39.475 35.146 1.00 0.00 H new ATOM 0 HE2 MET B 204 32.254 38.279 33.911 1.00 0.00 H new ATOM 0 HE3 MET B 204 33.791 39.165 33.764 1.00 0.00 H new ATOM 1533 N LEU B 205 33.621 36.409 29.067 1.00 0.00 N ATOM 1534 CA LEU B 205 34.850 35.758 28.734 1.00 0.00 C ATOM 1535 C LEU B 205 35.439 36.146 27.422 1.00 0.00 C ATOM 1536 O LEU B 205 36.654 36.245 27.255 1.00 0.00 O ATOM 1537 CB LEU B 205 34.747 34.224 28.797 1.00 0.00 C ATOM 1538 CG LEU B 205 34.860 33.641 30.216 1.00 0.00 C ATOM 1539 CD1 LEU B 205 34.501 32.145 30.205 1.00 0.00 C ATOM 1540 CD2 LEU B 205 36.270 33.836 30.796 1.00 0.00 C ATOM 0 H LEU B 205 32.829 35.770 29.130 1.00 0.00 H new ATOM 0 HA LEU B 205 35.528 36.117 29.509 1.00 0.00 H new ATOM 0 HB2 LEU B 205 33.794 33.917 28.365 1.00 0.00 H new ATOM 0 HB3 LEU B 205 35.532 33.793 28.176 1.00 0.00 H new ATOM 0 HG LEU B 205 34.157 34.178 30.852 1.00 0.00 H new ATOM 0 HD11 LEU B 205 34.585 31.743 31.215 1.00 0.00 H new ATOM 0 HD12 LEU B 205 33.479 32.019 29.848 1.00 0.00 H new ATOM 0 HD13 LEU B 205 35.185 31.612 29.545 1.00 0.00 H new ATOM 0 HD21 LEU B 205 36.313 33.412 31.799 1.00 0.00 H new ATOM 0 HD22 LEU B 205 36.998 33.334 30.159 1.00 0.00 H new ATOM 0 HD23 LEU B 205 36.501 34.900 30.842 1.00 0.00 H new ATOM 1552 N LEU B 206 34.562 36.454 26.449 1.00 0.00 N ATOM 1553 CA LEU B 206 34.922 36.861 25.127 1.00 0.00 C ATOM 1554 C LEU B 206 35.493 38.237 25.140 1.00 0.00 C ATOM 1555 O LEU B 206 36.321 38.589 24.302 1.00 0.00 O ATOM 1556 CB LEU B 206 33.651 36.729 24.271 1.00 0.00 C ATOM 1557 CG LEU B 206 33.071 35.311 24.138 1.00 0.00 C ATOM 1558 CD1 LEU B 206 34.106 34.320 23.580 1.00 0.00 C ATOM 1559 CD2 LEU B 206 32.395 34.710 25.382 1.00 0.00 C ATOM 0 H LEU B 206 33.553 36.417 26.592 1.00 0.00 H new ATOM 0 HA LEU B 206 35.707 36.236 24.701 1.00 0.00 H new ATOM 0 HB2 LEU B 206 32.883 37.376 24.695 1.00 0.00 H new ATOM 0 HB3 LEU B 206 33.869 37.106 23.272 1.00 0.00 H new ATOM 0 HG LEU B 206 32.257 35.462 23.429 1.00 0.00 H new ATOM 0 HD11 LEU B 206 33.656 33.330 23.502 1.00 0.00 H new ATOM 0 HD12 LEU B 206 34.431 34.650 22.593 1.00 0.00 H new ATOM 0 HD13 LEU B 206 34.965 34.276 24.249 1.00 0.00 H new ATOM 0 HD21 LEU B 206 32.031 33.709 25.150 1.00 0.00 H new ATOM 0 HD22 LEU B 206 33.117 34.654 26.197 1.00 0.00 H new ATOM 0 HD23 LEU B 206 31.558 35.340 25.681 1.00 0.00 H new ATOM 1571 N GLU B 207 35.137 39.044 26.156 1.00 0.00 N ATOM 1572 CA GLU B 207 35.701 40.338 26.383 1.00 0.00 C ATOM 1573 C GLU B 207 37.015 40.241 27.078 1.00 0.00 C ATOM 1574 O GLU B 207 38.009 40.814 26.632 1.00 0.00 O ATOM 1575 CB GLU B 207 34.759 41.246 27.192 1.00 0.00 C ATOM 1576 CG GLU B 207 33.759 42.024 26.335 1.00 0.00 C ATOM 1577 CD GLU B 207 34.389 43.251 25.690 1.00 0.00 C ATOM 1578 OE1 GLU B 207 35.226 43.110 24.758 1.00 0.00 O ATOM 1579 OE2 GLU B 207 34.054 44.386 26.124 1.00 0.00 O ATOM 0 H GLU B 207 34.430 38.785 26.845 1.00 0.00 H new ATOM 0 HA GLU B 207 35.848 40.786 25.400 1.00 0.00 H new ATOM 0 HB2 GLU B 207 34.210 40.636 27.909 1.00 0.00 H new ATOM 0 HB3 GLU B 207 35.357 41.953 27.767 1.00 0.00 H new ATOM 0 HG2 GLU B 207 33.362 41.370 25.558 1.00 0.00 H new ATOM 0 HG3 GLU B 207 32.916 42.333 26.953 1.00 0.00 H new ATOM 1586 N ALA B 208 37.087 39.488 28.189 1.00 0.00 N ATOM 1587 CA ALA B 208 38.279 39.279 28.950 1.00 0.00 C ATOM 1588 C ALA B 208 39.413 38.722 28.160 1.00 0.00 C ATOM 1589 O ALA B 208 40.552 39.170 28.289 1.00 0.00 O ATOM 1590 CB ALA B 208 37.996 38.377 30.163 1.00 0.00 C ATOM 0 H ALA B 208 36.277 39.002 28.575 1.00 0.00 H new ATOM 0 HA ALA B 208 38.591 40.269 29.283 1.00 0.00 H new ATOM 0 HB1 ALA B 208 38.916 38.230 30.729 1.00 0.00 H new ATOM 0 HB2 ALA B 208 37.249 38.849 30.801 1.00 0.00 H new ATOM 0 HB3 ALA B 208 37.623 37.412 29.820 1.00 0.00 H new ATOM 1596 N ALA B 209 39.143 37.755 27.265 1.00 0.00 N ATOM 1597 CA ALA B 209 40.105 37.180 26.378 1.00 0.00 C ATOM 1598 C ALA B 209 40.673 38.108 25.360 1.00 0.00 C ATOM 1599 O ALA B 209 41.879 38.074 25.120 1.00 0.00 O ATOM 1600 CB ALA B 209 39.464 35.974 25.671 1.00 0.00 C ATOM 0 H ALA B 209 38.211 37.356 27.155 1.00 0.00 H new ATOM 0 HA ALA B 209 40.951 36.892 27.002 1.00 0.00 H new ATOM 0 HB1 ALA B 209 40.187 35.525 24.990 1.00 0.00 H new ATOM 0 HB2 ALA B 209 39.158 35.237 26.414 1.00 0.00 H new ATOM 0 HB3 ALA B 209 38.592 36.304 25.107 1.00 0.00 H new ATOM 1606 N ASP B 210 39.857 38.983 24.745 1.00 0.00 N ATOM 1607 CA ASP B 210 40.277 40.006 23.838 1.00 0.00 C ATOM 1608 C ASP B 210 41.115 41.032 24.521 1.00 0.00 C ATOM 1609 O ASP B 210 42.211 41.369 24.080 1.00 0.00 O ATOM 1610 CB ASP B 210 39.067 40.721 23.215 1.00 0.00 C ATOM 1611 CG ASP B 210 38.442 40.023 22.016 1.00 0.00 C ATOM 1612 OD1 ASP B 210 38.985 39.022 21.477 1.00 0.00 O ATOM 1613 OD2 ASP B 210 37.377 40.529 21.571 1.00 0.00 O ATOM 0 H ASP B 210 38.847 38.976 24.889 1.00 0.00 H new ATOM 0 HA ASP B 210 40.862 39.512 23.063 1.00 0.00 H new ATOM 0 HB2 ASP B 210 38.303 40.841 23.983 1.00 0.00 H new ATOM 0 HB3 ASP B 210 39.374 41.722 22.912 1.00 0.00 H new ATOM 1618 N TYR B 211 40.640 41.549 25.668 1.00 0.00 N ATOM 1619 CA TYR B 211 41.307 42.448 26.559 1.00 0.00 C ATOM 1620 C TYR B 211 42.682 42.003 26.923 1.00 0.00 C ATOM 1621 O TYR B 211 43.653 42.748 26.790 1.00 0.00 O ATOM 1622 CB TYR B 211 40.391 42.630 27.781 1.00 0.00 C ATOM 1623 CG TYR B 211 40.965 43.307 28.978 1.00 0.00 C ATOM 1624 CD1 TYR B 211 41.559 42.545 29.956 1.00 0.00 C ATOM 1625 CD2 TYR B 211 40.851 44.664 29.164 1.00 0.00 C ATOM 1626 CE1 TYR B 211 42.032 43.125 31.110 1.00 0.00 C ATOM 1627 CE2 TYR B 211 41.305 45.250 30.323 1.00 0.00 C ATOM 1628 CZ TYR B 211 41.892 44.480 31.299 1.00 0.00 C ATOM 1629 OH TYR B 211 42.328 45.060 32.510 1.00 0.00 O ATOM 0 H TYR B 211 39.704 41.316 26.000 1.00 0.00 H new ATOM 0 HA TYR B 211 41.472 43.406 26.066 1.00 0.00 H new ATOM 0 HB2 TYR B 211 39.515 43.195 27.463 1.00 0.00 H new ATOM 0 HB3 TYR B 211 40.040 41.645 28.088 1.00 0.00 H new ATOM 0 HD1 TYR B 211 41.655 41.478 29.817 1.00 0.00 H new ATOM 0 HD2 TYR B 211 40.402 45.275 28.395 1.00 0.00 H new ATOM 0 HE1 TYR B 211 42.511 42.519 31.865 1.00 0.00 H new ATOM 0 HE2 TYR B 211 41.200 46.315 30.466 1.00 0.00 H new ATOM 0 HH TYR B 211 42.161 46.025 32.489 1.00 0.00 H new ATOM 1639 N LEU B 212 42.846 40.745 27.368 1.00 0.00 N ATOM 1640 CA LEU B 212 44.094 40.220 27.829 1.00 0.00 C ATOM 1641 C LEU B 212 45.140 39.990 26.792 1.00 0.00 C ATOM 1642 O LEU B 212 46.328 39.878 27.090 1.00 0.00 O ATOM 1643 CB LEU B 212 43.864 38.906 28.597 1.00 0.00 C ATOM 1644 CG LEU B 212 44.110 39.067 30.106 1.00 0.00 C ATOM 1645 CD1 LEU B 212 43.637 37.770 30.783 1.00 0.00 C ATOM 1646 CD2 LEU B 212 45.569 39.406 30.459 1.00 0.00 C ATOM 0 H LEU B 212 42.083 40.069 27.408 1.00 0.00 H new ATOM 0 HA LEU B 212 44.489 41.010 28.468 1.00 0.00 H new ATOM 0 HB2 LEU B 212 42.842 38.564 28.431 1.00 0.00 H new ATOM 0 HB3 LEU B 212 44.526 38.135 28.202 1.00 0.00 H new ATOM 0 HG LEU B 212 43.545 39.924 30.473 1.00 0.00 H new ATOM 0 HD11 LEU B 212 43.795 37.843 31.859 1.00 0.00 H new ATOM 0 HD12 LEU B 212 42.576 37.620 30.581 1.00 0.00 H new ATOM 0 HD13 LEU B 212 44.204 36.926 30.390 1.00 0.00 H new ATOM 0 HD21 LEU B 212 45.668 39.505 31.540 1.00 0.00 H new ATOM 0 HD22 LEU B 212 46.223 38.609 30.106 1.00 0.00 H new ATOM 0 HD23 LEU B 212 45.850 40.345 29.982 1.00 0.00 H new ATOM 1658 N GLU B 213 44.737 39.894 25.512 1.00 0.00 N ATOM 1659 CA GLU B 213 45.627 39.917 24.393 1.00 0.00 C ATOM 1660 C GLU B 213 46.191 41.282 24.191 1.00 0.00 C ATOM 1661 O GLU B 213 47.400 41.466 24.056 1.00 0.00 O ATOM 1662 CB GLU B 213 44.896 39.404 23.142 1.00 0.00 C ATOM 1663 CG GLU B 213 44.740 37.883 23.113 1.00 0.00 C ATOM 1664 CD GLU B 213 45.908 37.182 22.435 1.00 0.00 C ATOM 1665 OE1 GLU B 213 46.186 37.486 21.245 1.00 0.00 O ATOM 1666 OE2 GLU B 213 46.545 36.293 23.061 1.00 0.00 O ATOM 0 H GLU B 213 43.757 39.797 25.247 1.00 0.00 H new ATOM 0 HA GLU B 213 46.470 39.254 24.588 1.00 0.00 H new ATOM 0 HB2 GLU B 213 43.909 39.864 23.092 1.00 0.00 H new ATOM 0 HB3 GLU B 213 45.442 39.723 22.254 1.00 0.00 H new ATOM 0 HG2 GLU B 213 44.643 37.513 24.134 1.00 0.00 H new ATOM 0 HG3 GLU B 213 43.817 37.627 22.592 1.00 0.00 H new ATOM 1673 N ARG B 214 45.332 42.317 24.223 1.00 0.00 N ATOM 1674 CA ARG B 214 45.701 43.685 24.035 1.00 0.00 C ATOM 1675 C ARG B 214 46.508 44.279 25.139 1.00 0.00 C ATOM 1676 O ARG B 214 47.373 45.120 24.900 1.00 0.00 O ATOM 1677 CB ARG B 214 44.459 44.555 23.778 1.00 0.00 C ATOM 1678 CG ARG B 214 43.736 44.142 22.494 1.00 0.00 C ATOM 1679 CD ARG B 214 42.584 45.072 22.110 1.00 0.00 C ATOM 1680 NE ARG B 214 42.042 44.535 20.831 1.00 0.00 N ATOM 1681 CZ ARG B 214 40.771 44.075 20.644 1.00 0.00 C ATOM 1682 NH1 ARG B 214 39.810 44.094 21.614 1.00 0.00 N ATOM 1683 NH2 ARG B 214 40.431 43.571 19.423 1.00 0.00 N ATOM 0 H ARG B 214 44.333 42.193 24.388 1.00 0.00 H new ATOM 0 HA ARG B 214 46.352 43.676 23.161 1.00 0.00 H new ATOM 0 HB2 ARG B 214 43.776 44.473 24.623 1.00 0.00 H new ATOM 0 HB3 ARG B 214 44.756 45.602 23.708 1.00 0.00 H new ATOM 0 HG2 ARG B 214 44.456 44.113 21.676 1.00 0.00 H new ATOM 0 HG3 ARG B 214 43.349 43.130 22.615 1.00 0.00 H new ATOM 0 HD2 ARG B 214 41.817 45.086 22.885 1.00 0.00 H new ATOM 0 HD3 ARG B 214 42.933 46.097 21.988 1.00 0.00 H new ATOM 0 HE ARG B 214 42.672 44.509 20.029 1.00 0.00 H new ATOM 0 HH11 ARG B 214 40.026 44.467 22.539 1.00 0.00 H new ATOM 0 HH12 ARG B 214 38.876 43.735 21.414 1.00 0.00 H new ATOM 0 HH21 ARG B 214 41.121 43.544 18.672 1.00 0.00 H new ATOM 0 HH22 ARG B 214 39.487 43.222 19.261 1.00 0.00 H new ATOM 1697 N ARG B 215 46.297 43.836 26.391 1.00 0.00 N ATOM 1698 CA ARG B 215 47.076 44.176 27.540 1.00 0.00 C ATOM 1699 C ARG B 215 48.517 43.814 27.411 1.00 0.00 C ATOM 1700 O ARG B 215 49.406 44.582 27.772 1.00 0.00 O ATOM 1701 CB ARG B 215 46.482 43.531 28.803 1.00 0.00 C ATOM 1702 CG ARG B 215 45.179 44.186 29.266 1.00 0.00 C ATOM 1703 CD ARG B 215 45.345 45.424 30.151 1.00 0.00 C ATOM 1704 NE ARG B 215 45.765 44.965 31.506 1.00 0.00 N ATOM 1705 CZ ARG B 215 46.004 45.803 32.556 1.00 0.00 C ATOM 1706 NH1 ARG B 215 45.938 47.160 32.434 1.00 0.00 N ATOM 1707 NH2 ARG B 215 46.292 45.270 33.780 1.00 0.00 N ATOM 0 H ARG B 215 45.532 43.199 26.614 1.00 0.00 H new ATOM 0 HA ARG B 215 47.034 45.262 27.623 1.00 0.00 H new ATOM 0 HB2 ARG B 215 46.300 42.474 28.610 1.00 0.00 H new ATOM 0 HB3 ARG B 215 47.214 43.587 29.609 1.00 0.00 H new ATOM 0 HG2 ARG B 215 44.599 44.464 28.386 1.00 0.00 H new ATOM 0 HG3 ARG B 215 44.594 43.446 29.812 1.00 0.00 H new ATOM 0 HD2 ARG B 215 46.090 46.098 29.728 1.00 0.00 H new ATOM 0 HD3 ARG B 215 44.409 45.980 30.209 1.00 0.00 H new ATOM 0 HE ARG B 215 45.881 43.963 31.657 1.00 0.00 H new ATOM 0 HH11 ARG B 215 45.703 47.580 31.535 1.00 0.00 H new ATOM 0 HH12 ARG B 215 46.123 47.754 33.242 1.00 0.00 H new ATOM 0 HH21 ARG B 215 46.326 44.258 33.900 1.00 0.00 H new ATOM 0 HH22 ARG B 215 46.473 45.884 34.574 1.00 0.00 H new