USER MOD reduce.3.24.130724 H: found=0, std=0, add=487, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 488 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 16 ASN : amide:sc= -0.123 K(o=-0.33,f=-1.2) USER MOD Set 1.2: A 57 TYR OH : rot 175:sc= -0.204 USER MOD Set 2.1: A 15 TYR OH : rot 130:sc= -0.327 USER MOD Set 2.2: A 34 MET CE :methyl -112:sc= -3.33! (180deg=-4.62!) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.431 USER MOD Single : A 9 THR OG1 : rot 80:sc= 0.674 USER MOD Single : A 10 ASN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 13 SER OG : rot 180:sc= -0.0653 USER MOD Single : A 20 LYS NZ :NH3+ -128:sc= -0.43 (180deg=-2.63!) USER MOD Single : A 24 MET CE :methyl -117:sc= 0 (180deg=-0.0423) USER MOD Single : A 26 ASN : amide:sc= 0.665 K(o=0.67,f=0) USER MOD Single : A 28 ASN : amide:sc= 0.473 X(o=0.47,f=-0.026) USER MOD Single : A 38 MET CE :methyl -170:sc= 0 (180deg=-0.125) USER MOD Single : A 43 LYS NZ :NH3+ -121:sc= 0.262 (180deg=0.207) USER MOD Single : A 45 THR OG1 : rot 74:sc= 0.492 USER MOD Single : A 48 LYS NZ :NH3+ -146:sc= 0.701 (180deg=0.074) USER MOD Single : A 53 THR OG1 : rot -71:sc= 0.904 USER MOD Single : A 55 ASN : amide:sc= 0.372 X(o=0.37,f=0) USER MOD ----------------------------------------------------------------- ATOM 63 N LEU A 4 -10.105 -0.284 3.949 1.00 52.25 N ATOM 64 CA LEU A 4 -9.057 0.725 3.925 1.00 11.23 C ATOM 65 C LEU A 4 -9.633 2.092 3.592 1.00 61.51 C ATOM 66 O LEU A 4 -10.690 2.190 2.959 1.00 21.13 O ATOM 67 CB LEU A 4 -7.975 0.347 2.914 1.00 24.03 C ATOM 68 CG LEU A 4 -7.238 -0.950 3.229 1.00 35.34 C ATOM 69 CD1 LEU A 4 -6.247 -1.282 2.135 1.00 45.23 C ATOM 70 CD2 LEU A 4 -6.533 -0.842 4.566 1.00 70.44 C ATOM 0 HA LEU A 4 -8.608 0.773 4.917 1.00 11.23 H new ATOM 0 HB2 LEU A 4 -8.432 0.260 1.928 1.00 24.03 H new ATOM 0 HB3 LEU A 4 -7.249 1.158 2.858 1.00 24.03 H new ATOM 0 HG LEU A 4 -7.969 -1.757 3.283 1.00 35.34 H new ATOM 0 HD11 LEU A 4 -5.732 -2.211 2.380 1.00 45.23 H new ATOM 0 HD12 LEU A 4 -6.775 -1.398 1.189 1.00 45.23 H new ATOM 0 HD13 LEU A 4 -5.519 -0.476 2.047 1.00 45.23 H new ATOM 0 HD21 LEU A 4 -6.011 -1.775 4.778 1.00 70.44 H new ATOM 0 HD22 LEU A 4 -5.814 -0.023 4.533 1.00 70.44 H new ATOM 0 HD23 LEU A 4 -7.266 -0.650 5.349 1.00 70.44 H new ATOM 82 N THR A 5 -8.935 3.145 4.018 1.00 23.51 N ATOM 83 CA THR A 5 -9.384 4.516 3.781 1.00 73.15 C ATOM 84 C THR A 5 -8.992 4.988 2.379 1.00 24.53 C ATOM 85 O THR A 5 -8.300 4.274 1.643 1.00 21.21 O ATOM 86 CB THR A 5 -8.812 5.496 4.833 1.00 32.13 C ATOM 87 OG1 THR A 5 -7.380 5.504 4.786 1.00 12.24 O ATOM 88 CG2 THR A 5 -9.272 5.136 6.239 1.00 51.40 C ATOM 0 H THR A 5 -8.055 3.074 4.530 1.00 23.51 H new ATOM 0 HA THR A 5 -10.471 4.511 3.867 1.00 73.15 H new ATOM 0 HB THR A 5 -9.189 6.490 4.591 1.00 32.13 H new ATOM 0 HG1 THR A 5 -7.034 6.130 5.456 1.00 12.24 H new ATOM 0 HG21 THR A 5 -8.851 5.845 6.952 1.00 51.40 H new ATOM 0 HG22 THR A 5 -10.360 5.175 6.287 1.00 51.40 H new ATOM 0 HG23 THR A 5 -8.934 4.130 6.486 1.00 51.40 H new ATOM 96 N ILE A 6 -9.438 6.192 2.014 1.00 61.24 N ATOM 97 CA ILE A 6 -9.157 6.759 0.689 1.00 24.34 C ATOM 98 C ILE A 6 -7.662 7.066 0.547 1.00 10.23 C ATOM 99 O ILE A 6 -7.086 6.827 -0.503 1.00 72.52 O ATOM 100 CB ILE A 6 -9.969 8.059 0.407 1.00 12.22 C ATOM 101 CG1 ILE A 6 -11.432 7.954 0.892 1.00 60.15 C ATOM 102 CG2 ILE A 6 -9.933 8.402 -1.086 1.00 35.03 C ATOM 103 CD1 ILE A 6 -12.256 6.854 0.247 1.00 73.12 C ATOM 0 H ILE A 6 -9.996 6.796 2.617 1.00 61.24 H new ATOM 0 HA ILE A 6 -9.462 6.008 -0.040 1.00 24.34 H new ATOM 0 HB ILE A 6 -9.494 8.860 0.973 1.00 12.22 H new ATOM 0 HG12 ILE A 6 -11.429 7.797 1.971 1.00 60.15 H new ATOM 0 HG13 ILE A 6 -11.926 8.908 0.710 1.00 60.15 H new ATOM 0 HG21 ILE A 6 -10.505 9.313 -1.264 1.00 35.03 H new ATOM 0 HG22 ILE A 6 -8.900 8.555 -1.399 1.00 35.03 H new ATOM 0 HG23 ILE A 6 -10.368 7.583 -1.658 1.00 35.03 H new ATOM 0 HD11 ILE A 6 -13.266 6.867 0.658 1.00 73.12 H new ATOM 0 HD12 ILE A 6 -12.300 7.016 -0.830 1.00 73.12 H new ATOM 0 HD13 ILE A 6 -11.795 5.887 0.450 1.00 73.12 H new ATOM 115 N GLU A 7 -7.046 7.553 1.633 1.00 75.31 N ATOM 116 CA GLU A 7 -5.615 7.886 1.657 1.00 14.22 C ATOM 117 C GLU A 7 -4.760 6.643 1.419 1.00 51.45 C ATOM 118 O GLU A 7 -3.819 6.671 0.623 1.00 24.10 O ATOM 119 CB GLU A 7 -5.192 8.498 3.005 1.00 15.01 C ATOM 120 CG GLU A 7 -5.984 9.719 3.451 1.00 12.11 C ATOM 121 CD GLU A 7 -7.208 9.370 4.279 1.00 61.21 C ATOM 122 OE1 GLU A 7 -7.060 9.148 5.497 1.00 54.24 O ATOM 123 OE2 GLU A 7 -8.317 9.312 3.709 1.00 42.14 O ATOM 0 H GLU A 7 -7.524 7.727 2.517 1.00 75.31 H new ATOM 0 HA GLU A 7 -5.457 8.614 0.861 1.00 14.22 H new ATOM 0 HB2 GLU A 7 -5.278 7.731 3.775 1.00 15.01 H new ATOM 0 HB3 GLU A 7 -4.139 8.773 2.944 1.00 15.01 H new ATOM 0 HG2 GLU A 7 -5.334 10.372 4.033 1.00 12.11 H new ATOM 0 HG3 GLU A 7 -6.297 10.282 2.572 1.00 12.11 H new ATOM 130 N GLU A 8 -5.135 5.557 2.100 1.00 31.11 N ATOM 131 CA GLU A 8 -4.405 4.294 2.059 1.00 43.33 C ATOM 132 C GLU A 8 -4.444 3.644 0.679 1.00 71.34 C ATOM 133 O GLU A 8 -3.400 3.323 0.115 1.00 64.00 O ATOM 134 CB GLU A 8 -4.983 3.333 3.093 1.00 22.22 C ATOM 135 CG GLU A 8 -4.682 3.724 4.526 1.00 0.24 C ATOM 136 CD GLU A 8 -5.117 2.663 5.506 1.00 43.55 C ATOM 137 OE1 GLU A 8 -6.332 2.574 5.780 1.00 44.23 O ATOM 138 OE2 GLU A 8 -4.243 1.915 6.002 1.00 71.23 O ATOM 0 H GLU A 8 -5.960 5.533 2.699 1.00 31.11 H new ATOM 0 HA GLU A 8 -3.362 4.514 2.288 1.00 43.33 H new ATOM 0 HB2 GLU A 8 -6.064 3.278 2.960 1.00 22.22 H new ATOM 0 HB3 GLU A 8 -4.588 2.334 2.908 1.00 22.22 H new ATOM 0 HG2 GLU A 8 -3.612 3.902 4.636 1.00 0.24 H new ATOM 0 HG3 GLU A 8 -5.187 4.662 4.759 1.00 0.24 H new ATOM 145 N THR A 9 -5.648 3.500 0.128 1.00 20.23 N ATOM 146 CA THR A 9 -5.848 2.782 -1.125 1.00 43.20 C ATOM 147 C THR A 9 -5.362 3.603 -2.339 1.00 44.13 C ATOM 148 O THR A 9 -4.950 3.034 -3.347 1.00 3.21 O ATOM 149 CB THR A 9 -7.329 2.374 -1.299 1.00 3.13 C ATOM 150 OG1 THR A 9 -7.871 1.935 -0.050 1.00 3.44 O ATOM 151 CG2 THR A 9 -7.473 1.242 -2.296 1.00 61.04 C ATOM 0 H THR A 9 -6.505 3.875 0.535 1.00 20.23 H new ATOM 0 HA THR A 9 -5.245 1.875 -1.078 1.00 43.20 H new ATOM 0 HB THR A 9 -7.866 3.250 -1.662 1.00 3.13 H new ATOM 0 HG1 THR A 9 -8.109 2.714 0.495 1.00 3.44 H new ATOM 0 HG21 THR A 9 -8.526 0.978 -2.397 1.00 61.04 H new ATOM 0 HG22 THR A 9 -7.084 1.558 -3.264 1.00 61.04 H new ATOM 0 HG23 THR A 9 -6.913 0.375 -1.945 1.00 61.04 H new ATOM 159 N ASN A 10 -5.399 4.939 -2.233 1.00 41.10 N ATOM 160 CA ASN A 10 -4.882 5.817 -3.294 1.00 51.22 C ATOM 161 C ASN A 10 -3.351 5.764 -3.369 1.00 72.34 C ATOM 162 O ASN A 10 -2.782 5.862 -4.455 1.00 43.13 O ATOM 163 CB ASN A 10 -5.372 7.262 -3.093 1.00 40.42 C ATOM 164 CG ASN A 10 -4.895 8.224 -4.172 1.00 5.25 C ATOM 165 OD1 ASN A 10 -5.468 8.289 -5.255 1.00 25.01 O ATOM 166 ND2 ASN A 10 -3.864 9.003 -3.870 1.00 53.22 N ATOM 0 H ASN A 10 -5.780 5.434 -1.427 1.00 41.10 H new ATOM 0 HA ASN A 10 -5.271 5.453 -4.245 1.00 51.22 H new ATOM 0 HB2 ASN A 10 -6.462 7.267 -3.070 1.00 40.42 H new ATOM 0 HB3 ASN A 10 -5.031 7.621 -2.122 1.00 40.42 H new ATOM 0 HD21 ASN A 10 -3.523 9.684 -4.549 1.00 53.22 H new ATOM 0 HD22 ASN A 10 -3.412 8.921 -2.959 1.00 53.22 H new ATOM 173 N LEU A 11 -2.696 5.578 -2.226 1.00 31.31 N ATOM 174 CA LEU A 11 -1.241 5.421 -2.186 1.00 21.53 C ATOM 175 C LEU A 11 -0.822 4.071 -2.774 1.00 33.34 C ATOM 176 O LEU A 11 0.210 3.970 -3.444 1.00 4.11 O ATOM 177 CB LEU A 11 -0.730 5.551 -0.754 1.00 43.11 C ATOM 178 CG LEU A 11 0.779 5.368 -0.579 1.00 73.13 C ATOM 179 CD1 LEU A 11 1.560 6.499 -1.229 1.00 41.12 C ATOM 180 CD2 LEU A 11 1.110 5.269 0.880 1.00 50.04 C ATOM 0 H LEU A 11 -3.149 5.532 -1.313 1.00 31.31 H new ATOM 0 HA LEU A 11 -0.799 6.212 -2.791 1.00 21.53 H new ATOM 0 HB2 LEU A 11 -1.006 6.535 -0.375 1.00 43.11 H new ATOM 0 HB3 LEU A 11 -1.243 4.815 -0.135 1.00 43.11 H new ATOM 0 HG LEU A 11 1.071 4.444 -1.079 1.00 73.13 H new ATOM 0 HD11 LEU A 11 2.628 6.334 -1.084 1.00 41.12 H new ATOM 0 HD12 LEU A 11 1.339 6.528 -2.296 1.00 41.12 H new ATOM 0 HD13 LEU A 11 1.274 7.447 -0.774 1.00 41.12 H new ATOM 0 HD21 LEU A 11 2.185 5.139 1.001 1.00 50.04 H new ATOM 0 HD22 LEU A 11 0.796 6.181 1.387 1.00 50.04 H new ATOM 0 HD23 LEU A 11 0.590 4.415 1.314 1.00 50.04 H new ATOM 192 N LEU A 12 -1.645 3.048 -2.540 1.00 20.42 N ATOM 193 CA LEU A 12 -1.437 1.727 -3.125 1.00 4.13 C ATOM 194 C LEU A 12 -1.628 1.767 -4.635 1.00 64.23 C ATOM 195 O LEU A 12 -0.973 1.041 -5.346 1.00 31.43 O ATOM 196 CB LEU A 12 -2.401 0.701 -2.531 1.00 21.35 C ATOM 197 CG LEU A 12 -2.358 0.518 -1.021 1.00 62.34 C ATOM 198 CD1 LEU A 12 -3.411 -0.493 -0.605 1.00 74.23 C ATOM 199 CD2 LEU A 12 -0.970 0.083 -0.560 1.00 74.23 C ATOM 0 H LEU A 12 -2.469 3.113 -1.943 1.00 20.42 H new ATOM 0 HA LEU A 12 -0.414 1.431 -2.895 1.00 4.13 H new ATOM 0 HB2 LEU A 12 -3.415 0.985 -2.811 1.00 21.35 H new ATOM 0 HB3 LEU A 12 -2.201 -0.264 -2.997 1.00 21.35 H new ATOM 0 HG LEU A 12 -2.574 1.473 -0.543 1.00 62.34 H new ATOM 0 HD11 LEU A 12 -3.381 -0.625 0.477 1.00 74.23 H new ATOM 0 HD12 LEU A 12 -4.397 -0.134 -0.900 1.00 74.23 H new ATOM 0 HD13 LEU A 12 -3.212 -1.447 -1.093 1.00 74.23 H new ATOM 0 HD21 LEU A 12 -0.968 -0.040 0.523 1.00 74.23 H new ATOM 0 HD22 LEU A 12 -0.710 -0.864 -1.033 1.00 74.23 H new ATOM 0 HD23 LEU A 12 -0.239 0.842 -0.840 1.00 74.23 H new ATOM 211 N SER A 13 -2.519 2.648 -5.100 1.00 72.13 N ATOM 212 CA SER A 13 -2.825 2.826 -6.522 1.00 1.43 C ATOM 213 C SER A 13 -1.617 3.373 -7.303 1.00 44.51 C ATOM 214 O SER A 13 -1.484 3.137 -8.504 1.00 3.53 O ATOM 215 CB SER A 13 -4.016 3.782 -6.645 1.00 21.53 C ATOM 216 OG SER A 13 -4.568 3.789 -7.947 1.00 43.15 O ATOM 0 H SER A 13 -3.055 3.266 -4.491 1.00 72.13 H new ATOM 0 HA SER A 13 -3.070 1.856 -6.955 1.00 1.43 H new ATOM 0 HB2 SER A 13 -4.785 3.494 -5.928 1.00 21.53 H new ATOM 0 HB3 SER A 13 -3.698 4.791 -6.383 1.00 21.53 H new ATOM 0 HG SER A 13 -5.325 4.411 -7.978 1.00 43.15 H new ATOM 222 N ILE A 14 -0.727 4.073 -6.597 1.00 15.33 N ATOM 223 CA ILE A 14 0.480 4.660 -7.184 1.00 63.14 C ATOM 224 C ILE A 14 1.525 3.564 -7.524 1.00 4.23 C ATOM 225 O ILE A 14 2.260 3.678 -8.511 1.00 31.44 O ATOM 226 CB ILE A 14 1.070 5.724 -6.199 1.00 35.42 C ATOM 227 CG1 ILE A 14 0.002 6.786 -5.883 1.00 52.25 C ATOM 228 CG2 ILE A 14 2.322 6.400 -6.753 1.00 20.21 C ATOM 229 CD1 ILE A 14 0.358 7.714 -4.741 1.00 34.23 C ATOM 0 H ILE A 14 -0.823 4.250 -5.597 1.00 15.33 H new ATOM 0 HA ILE A 14 0.219 5.153 -8.120 1.00 63.14 H new ATOM 0 HB ILE A 14 1.360 5.200 -5.289 1.00 35.42 H new ATOM 0 HG12 ILE A 14 -0.175 7.383 -6.778 1.00 52.25 H new ATOM 0 HG13 ILE A 14 -0.935 6.282 -5.646 1.00 52.25 H new ATOM 0 HG21 ILE A 14 2.691 7.129 -6.032 1.00 20.21 H new ATOM 0 HG22 ILE A 14 3.090 5.649 -6.936 1.00 20.21 H new ATOM 0 HG23 ILE A 14 2.079 6.906 -7.688 1.00 20.21 H new ATOM 0 HD11 ILE A 14 -0.450 8.429 -4.588 1.00 34.23 H new ATOM 0 HD12 ILE A 14 0.505 7.132 -3.831 1.00 34.23 H new ATOM 0 HD13 ILE A 14 1.276 8.250 -4.981 1.00 34.23 H new ATOM 241 N TYR A 15 1.547 2.476 -6.738 1.00 44.54 N ATOM 242 CA TYR A 15 2.582 1.438 -6.878 1.00 40.33 C ATOM 243 C TYR A 15 2.008 0.030 -7.133 1.00 4.44 C ATOM 244 O TYR A 15 2.757 -0.948 -7.102 1.00 72.21 O ATOM 245 CB TYR A 15 3.463 1.408 -5.619 1.00 45.14 C ATOM 246 CG TYR A 15 4.327 2.639 -5.435 1.00 14.12 C ATOM 247 CD1 TYR A 15 5.538 2.755 -6.099 1.00 40.51 C ATOM 248 CD2 TYR A 15 3.935 3.678 -4.602 1.00 62.04 C ATOM 249 CE1 TYR A 15 6.331 3.871 -5.947 1.00 3.04 C ATOM 250 CE2 TYR A 15 4.722 4.802 -4.445 1.00 53.33 C ATOM 251 CZ TYR A 15 5.922 4.892 -5.120 1.00 72.53 C ATOM 252 OH TYR A 15 6.712 6.008 -4.971 1.00 11.41 O ATOM 0 H TYR A 15 0.864 2.292 -6.003 1.00 44.54 H new ATOM 0 HA TYR A 15 3.170 1.705 -7.756 1.00 40.33 H new ATOM 0 HB2 TYR A 15 2.823 1.293 -4.744 1.00 45.14 H new ATOM 0 HB3 TYR A 15 4.107 0.529 -5.661 1.00 45.14 H new ATOM 0 HD1 TYR A 15 5.866 1.956 -6.747 1.00 40.51 H new ATOM 0 HD2 TYR A 15 2.999 3.606 -4.068 1.00 62.04 H new ATOM 0 HE1 TYR A 15 7.270 3.944 -6.475 1.00 3.04 H new ATOM 0 HE2 TYR A 15 4.400 5.605 -3.798 1.00 53.33 H new ATOM 0 HH TYR A 15 6.170 6.813 -5.106 1.00 11.41 H new ATOM 262 N ASN A 16 0.690 -0.064 -7.365 1.00 20.15 N ATOM 263 CA ASN A 16 -0.006 -1.349 -7.588 1.00 53.42 C ATOM 264 C ASN A 16 0.466 -2.052 -8.863 1.00 40.52 C ATOM 265 O ASN A 16 0.133 -1.625 -9.977 1.00 1.13 O ATOM 266 CB ASN A 16 -1.530 -1.122 -7.655 1.00 72.35 C ATOM 267 CG ASN A 16 -2.342 -2.405 -7.804 1.00 72.44 C ATOM 268 OD1 ASN A 16 -1.973 -3.458 -7.299 1.00 3.22 O ATOM 269 ND2 ASN A 16 -3.461 -2.319 -8.501 1.00 20.44 N ATOM 0 H ASN A 16 0.073 0.747 -7.404 1.00 20.15 H new ATOM 0 HA ASN A 16 0.237 -1.996 -6.745 1.00 53.42 H new ATOM 0 HB2 ASN A 16 -1.850 -0.604 -6.751 1.00 72.35 H new ATOM 0 HB3 ASN A 16 -1.752 -0.464 -8.495 1.00 72.35 H new ATOM 0 HD21 ASN A 16 -4.045 -3.145 -8.631 1.00 20.44 H new ATOM 0 HD22 ASN A 16 -3.740 -1.427 -8.909 1.00 20.44 H new ATOM 276 N GLU A 17 1.246 -3.120 -8.672 1.00 30.44 N ATOM 277 CA GLU A 17 1.766 -3.932 -9.764 1.00 44.53 C ATOM 278 C GLU A 17 2.318 -5.242 -9.210 1.00 12.53 C ATOM 279 O GLU A 17 3.161 -5.221 -8.326 1.00 23.41 O ATOM 280 CB GLU A 17 2.877 -3.173 -10.499 1.00 73.32 C ATOM 281 CG GLU A 17 3.290 -3.805 -11.812 1.00 53.55 C ATOM 282 CD GLU A 17 4.236 -2.926 -12.593 1.00 52.12 C ATOM 283 OE1 GLU A 17 3.770 -1.929 -13.181 1.00 42.33 O ATOM 284 OE2 GLU A 17 5.436 -3.237 -12.636 1.00 53.22 O ATOM 0 H GLU A 17 1.533 -3.443 -7.748 1.00 30.44 H new ATOM 0 HA GLU A 17 0.959 -4.146 -10.465 1.00 44.53 H new ATOM 0 HB2 GLU A 17 2.542 -2.153 -10.688 1.00 73.32 H new ATOM 0 HB3 GLU A 17 3.749 -3.107 -9.849 1.00 73.32 H new ATOM 0 HG2 GLU A 17 3.766 -4.766 -11.617 1.00 53.55 H new ATOM 0 HG3 GLU A 17 2.403 -4.005 -12.412 1.00 53.55 H new ATOM 291 N GLY A 18 1.836 -6.370 -9.732 1.00 62.34 N ATOM 292 CA GLY A 18 2.327 -7.676 -9.303 1.00 72.42 C ATOM 293 C GLY A 18 1.737 -8.130 -7.975 1.00 32.00 C ATOM 294 O GLY A 18 2.442 -8.723 -7.149 1.00 34.52 O ATOM 0 H GLY A 18 1.110 -6.404 -10.448 1.00 62.34 H new ATOM 0 HA2 GLY A 18 2.093 -8.415 -10.069 1.00 72.42 H new ATOM 0 HA3 GLY A 18 3.413 -7.639 -9.217 1.00 72.42 H new ATOM 298 N GLY A 19 0.452 -7.835 -7.769 1.00 23.02 N ATOM 299 CA GLY A 19 -0.217 -8.185 -6.528 1.00 61.14 C ATOM 300 C GLY A 19 0.188 -7.265 -5.395 1.00 0.44 C ATOM 301 O GLY A 19 0.483 -6.090 -5.622 1.00 11.33 O ATOM 0 H GLY A 19 -0.140 -7.356 -8.448 1.00 23.02 H new ATOM 0 HA2 GLY A 19 -1.297 -8.135 -6.670 1.00 61.14 H new ATOM 0 HA3 GLY A 19 0.022 -9.215 -6.264 1.00 61.14 H new ATOM 305 N LYS A 20 0.220 -7.801 -4.180 1.00 25.23 N ATOM 306 CA LYS A 20 0.646 -7.026 -3.020 1.00 71.34 C ATOM 307 C LYS A 20 2.135 -7.219 -2.763 1.00 75.02 C ATOM 308 O LYS A 20 2.752 -6.423 -2.070 1.00 74.13 O ATOM 309 CB LYS A 20 -0.199 -7.368 -1.778 1.00 3.40 C ATOM 310 CG LYS A 20 -0.091 -8.798 -1.255 1.00 50.12 C ATOM 311 CD LYS A 20 0.848 -8.904 -0.062 1.00 20.32 C ATOM 312 CE LYS A 20 1.051 -10.346 0.363 1.00 75.33 C ATOM 313 NZ LYS A 20 1.747 -11.151 -0.672 1.00 74.00 N ATOM 0 H LYS A 20 -0.043 -8.765 -3.973 1.00 25.23 H new ATOM 0 HA LYS A 20 0.482 -5.970 -3.236 1.00 71.34 H new ATOM 0 HB2 LYS A 20 0.085 -6.688 -0.974 1.00 3.40 H new ATOM 0 HB3 LYS A 20 -1.245 -7.168 -2.011 1.00 3.40 H new ATOM 0 HG2 LYS A 20 -1.081 -9.154 -0.969 1.00 50.12 H new ATOM 0 HG3 LYS A 20 0.264 -9.449 -2.054 1.00 50.12 H new ATOM 0 HD2 LYS A 20 1.811 -8.460 -0.315 1.00 20.32 H new ATOM 0 HD3 LYS A 20 0.443 -8.332 0.773 1.00 20.32 H new ATOM 0 HE2 LYS A 20 1.628 -10.371 1.287 1.00 75.33 H new ATOM 0 HE3 LYS A 20 0.083 -10.797 0.579 1.00 75.33 H new ATOM 0 HZ1 LYS A 20 1.199 -12.012 -0.869 1.00 74.00 H new ATOM 0 HZ2 LYS A 20 1.838 -10.592 -1.544 1.00 74.00 H new ATOM 0 HZ3 LYS A 20 2.693 -11.414 -0.329 1.00 74.00 H new ATOM 327 N ARG A 21 2.692 -8.291 -3.327 1.00 74.51 N ATOM 328 CA ARG A 21 4.121 -8.557 -3.281 1.00 52.44 C ATOM 329 C ARG A 21 4.883 -7.517 -4.055 1.00 33.34 C ATOM 330 O ARG A 21 5.720 -6.838 -3.483 1.00 35.13 O ATOM 331 CB ARG A 21 4.434 -9.949 -3.823 1.00 4.24 C ATOM 332 CG ARG A 21 4.596 -10.969 -2.720 1.00 63.02 C ATOM 333 CD ARG A 21 4.402 -12.394 -3.216 1.00 51.55 C ATOM 334 NE ARG A 21 5.460 -12.826 -4.131 1.00 62.44 N ATOM 335 CZ ARG A 21 6.540 -13.529 -3.764 1.00 30.41 C ATOM 336 NH1 ARG A 21 6.684 -13.952 -2.507 1.00 74.14 N ATOM 337 NH2 ARG A 21 7.471 -13.825 -4.663 1.00 40.33 N ATOM 0 H ARG A 21 2.158 -9.000 -3.830 1.00 74.51 H new ATOM 0 HA ARG A 21 4.434 -8.514 -2.238 1.00 52.44 H new ATOM 0 HB2 ARG A 21 3.634 -10.265 -4.492 1.00 4.24 H new ATOM 0 HB3 ARG A 21 5.348 -9.909 -4.415 1.00 4.24 H new ATOM 0 HG2 ARG A 21 5.589 -10.872 -2.282 1.00 63.02 H new ATOM 0 HG3 ARG A 21 3.876 -10.761 -1.928 1.00 63.02 H new ATOM 0 HD2 ARG A 21 4.369 -13.070 -2.361 1.00 51.55 H new ATOM 0 HD3 ARG A 21 3.439 -12.470 -3.720 1.00 51.55 H new ATOM 0 HE ARG A 21 5.369 -12.575 -5.115 1.00 62.44 H new ATOM 0 HH11 ARG A 21 5.967 -13.741 -1.813 1.00 74.14 H new ATOM 0 HH12 ARG A 21 7.511 -14.486 -2.240 1.00 74.14 H new ATOM 0 HH21 ARG A 21 7.363 -13.517 -5.629 1.00 40.33 H new ATOM 0 HH22 ARG A 21 8.294 -14.360 -4.387 1.00 40.33 H new ATOM 351 N GLY A 22 4.550 -7.367 -5.337 1.00 33.44 N ATOM 352 CA GLY A 22 5.185 -6.367 -6.172 1.00 62.13 C ATOM 353 C GLY A 22 4.871 -4.953 -5.730 1.00 12.34 C ATOM 354 O GLY A 22 5.667 -4.069 -5.946 1.00 30.53 O ATOM 0 H GLY A 22 3.844 -7.928 -5.813 1.00 33.44 H new ATOM 0 HA2 GLY A 22 6.264 -6.517 -6.155 1.00 62.13 H new ATOM 0 HA3 GLY A 22 4.860 -6.502 -7.204 1.00 62.13 H new ATOM 358 N LEU A 23 3.700 -4.758 -5.123 1.00 14.14 N ATOM 359 CA LEU A 23 3.316 -3.482 -4.510 1.00 42.55 C ATOM 360 C LEU A 23 4.257 -3.107 -3.357 1.00 14.24 C ATOM 361 O LEU A 23 4.695 -1.966 -3.268 1.00 42.01 O ATOM 362 CB LEU A 23 1.869 -3.583 -4.015 1.00 53.52 C ATOM 363 CG LEU A 23 1.371 -2.459 -3.107 1.00 31.43 C ATOM 364 CD1 LEU A 23 1.206 -1.153 -3.857 1.00 10.14 C ATOM 365 CD2 LEU A 23 0.075 -2.859 -2.473 1.00 53.30 C ATOM 0 H LEU A 23 2.987 -5.483 -5.041 1.00 14.14 H new ATOM 0 HA LEU A 23 3.395 -2.693 -5.258 1.00 42.55 H new ATOM 0 HB2 LEU A 23 1.215 -3.631 -4.886 1.00 53.52 H new ATOM 0 HB3 LEU A 23 1.758 -4.526 -3.480 1.00 53.52 H new ATOM 0 HG LEU A 23 2.123 -2.296 -2.335 1.00 31.43 H new ATOM 0 HD11 LEU A 23 0.850 -0.383 -3.173 1.00 10.14 H new ATOM 0 HD12 LEU A 23 2.165 -0.851 -4.277 1.00 10.14 H new ATOM 0 HD13 LEU A 23 0.483 -1.285 -4.662 1.00 10.14 H new ATOM 0 HD21 LEU A 23 -0.277 -2.055 -1.826 1.00 53.30 H new ATOM 0 HD22 LEU A 23 -0.666 -3.051 -3.249 1.00 53.30 H new ATOM 0 HD23 LEU A 23 0.223 -3.762 -1.881 1.00 53.30 H new ATOM 377 N MET A 24 4.576 -4.078 -2.496 1.00 43.32 N ATOM 378 CA MET A 24 5.487 -3.862 -1.365 1.00 61.44 C ATOM 379 C MET A 24 6.917 -3.645 -1.838 1.00 50.35 C ATOM 380 O MET A 24 7.630 -2.833 -1.270 1.00 43.40 O ATOM 381 CB MET A 24 5.445 -5.041 -0.388 1.00 13.22 C ATOM 382 CG MET A 24 4.178 -5.114 0.437 1.00 2.24 C ATOM 383 SD MET A 24 4.124 -6.567 1.499 1.00 61.24 S ATOM 384 CE MET A 24 2.561 -6.311 2.327 1.00 32.44 C ATOM 0 H MET A 24 4.214 -5.029 -2.561 1.00 43.32 H new ATOM 0 HA MET A 24 5.148 -2.963 -0.850 1.00 61.44 H new ATOM 0 HB2 MET A 24 5.554 -5.969 -0.950 1.00 13.22 H new ATOM 0 HB3 MET A 24 6.300 -4.973 0.284 1.00 13.22 H new ATOM 0 HG2 MET A 24 4.097 -4.217 1.051 1.00 2.24 H new ATOM 0 HG3 MET A 24 3.315 -5.124 -0.229 1.00 2.24 H new ATOM 0 HE1 MET A 24 2.732 -6.187 3.396 1.00 32.44 H new ATOM 0 HE2 MET A 24 2.081 -5.417 1.930 1.00 32.44 H new ATOM 0 HE3 MET A 24 1.916 -7.173 2.160 1.00 32.44 H new ATOM 394 N GLU A 25 7.315 -4.357 -2.892 1.00 15.34 N ATOM 395 CA GLU A 25 8.658 -4.230 -3.463 1.00 22.51 C ATOM 396 C GLU A 25 8.807 -2.907 -4.232 1.00 54.24 C ATOM 397 O GLU A 25 9.890 -2.342 -4.282 1.00 5.20 O ATOM 398 CB GLU A 25 8.962 -5.429 -4.377 1.00 51.34 C ATOM 399 CG GLU A 25 8.828 -6.787 -3.686 1.00 22.14 C ATOM 400 CD GLU A 25 9.784 -6.979 -2.526 1.00 30.13 C ATOM 401 OE1 GLU A 25 11.001 -7.092 -2.760 1.00 42.11 O ATOM 402 OE2 GLU A 25 9.317 -7.013 -1.373 1.00 0.30 O ATOM 0 H GLU A 25 6.722 -5.034 -3.372 1.00 15.34 H new ATOM 0 HA GLU A 25 9.379 -4.223 -2.646 1.00 22.51 H new ATOM 0 HB2 GLU A 25 8.288 -5.400 -5.233 1.00 51.34 H new ATOM 0 HB3 GLU A 25 9.975 -5.329 -4.766 1.00 51.34 H new ATOM 0 HG2 GLU A 25 7.806 -6.902 -3.325 1.00 22.14 H new ATOM 0 HG3 GLU A 25 8.998 -7.576 -4.419 1.00 22.14 H new ATOM 409 N ASN A 26 7.700 -2.426 -4.814 1.00 31.11 N ATOM 410 CA ASN A 26 7.646 -1.117 -5.480 1.00 20.11 C ATOM 411 C ASN A 26 7.770 0.017 -4.474 1.00 41.52 C ATOM 412 O ASN A 26 8.550 0.940 -4.676 1.00 20.34 O ATOM 413 CB ASN A 26 6.333 -0.946 -6.254 1.00 52.05 C ATOM 414 CG ASN A 26 6.484 -1.131 -7.752 1.00 22.40 C ATOM 415 OD1 ASN A 26 6.757 -0.178 -8.476 1.00 11.10 O ATOM 416 ND2 ASN A 26 6.296 -2.349 -8.230 1.00 33.43 N ATOM 0 H ASN A 26 6.816 -2.934 -4.836 1.00 31.11 H new ATOM 0 HA ASN A 26 8.486 -1.079 -6.174 1.00 20.11 H new ATOM 0 HB2 ASN A 26 5.604 -1.664 -5.879 1.00 52.05 H new ATOM 0 HB3 ASN A 26 5.932 0.048 -6.058 1.00 52.05 H new ATOM 0 HD21 ASN A 26 6.377 -2.522 -9.232 1.00 33.43 H new ATOM 0 HD22 ASN A 26 6.070 -3.116 -7.597 1.00 33.43 H new ATOM 423 N ILE A 27 6.991 -0.071 -3.391 1.00 44.31 N ATOM 424 CA ILE A 27 6.978 0.947 -2.343 1.00 63.34 C ATOM 425 C ILE A 27 8.321 1.003 -1.603 1.00 2.20 C ATOM 426 O ILE A 27 8.888 2.077 -1.466 1.00 71.41 O ATOM 427 CB ILE A 27 5.789 0.728 -1.350 1.00 43.31 C ATOM 428 CG1 ILE A 27 4.469 1.113 -2.041 1.00 41.41 C ATOM 429 CG2 ILE A 27 5.967 1.518 -0.051 1.00 11.50 C ATOM 430 CD1 ILE A 27 3.215 0.934 -1.202 1.00 21.42 C ATOM 0 H ILE A 27 6.354 -0.849 -3.219 1.00 44.31 H new ATOM 0 HA ILE A 27 6.828 1.913 -2.825 1.00 63.34 H new ATOM 0 HB ILE A 27 5.767 -0.327 -1.076 1.00 43.31 H new ATOM 0 HG12 ILE A 27 4.532 2.156 -2.351 1.00 41.41 H new ATOM 0 HG13 ILE A 27 4.367 0.517 -2.948 1.00 41.41 H new ATOM 0 HG21 ILE A 27 5.117 1.334 0.606 1.00 11.50 H new ATOM 0 HG22 ILE A 27 6.884 1.201 0.445 1.00 11.50 H new ATOM 0 HG23 ILE A 27 6.026 2.582 -0.278 1.00 11.50 H new ATOM 0 HD11 ILE A 27 2.343 1.234 -1.783 1.00 21.42 H new ATOM 0 HD12 ILE A 27 3.117 -0.112 -0.913 1.00 21.42 H new ATOM 0 HD13 ILE A 27 3.285 1.552 -0.307 1.00 21.42 H new ATOM 442 N ASN A 28 8.847 -0.154 -1.187 1.00 42.11 N ATOM 443 CA ASN A 28 10.073 -0.207 -0.381 1.00 72.52 C ATOM 444 C ASN A 28 11.332 0.169 -1.170 1.00 24.01 C ATOM 445 O ASN A 28 12.296 0.658 -0.585 1.00 3.33 O ATOM 446 CB ASN A 28 10.255 -1.577 0.275 1.00 30.44 C ATOM 447 CG ASN A 28 9.531 -1.694 1.609 1.00 52.23 C ATOM 448 OD1 ASN A 28 10.081 -1.339 2.652 1.00 42.04 O ATOM 449 ND2 ASN A 28 8.309 -2.205 1.592 1.00 75.43 N ATOM 0 H ASN A 28 8.443 -1.067 -1.395 1.00 42.11 H new ATOM 0 HA ASN A 28 9.944 0.545 0.397 1.00 72.52 H new ATOM 0 HB2 ASN A 28 9.889 -2.350 -0.401 1.00 30.44 H new ATOM 0 HB3 ASN A 28 11.318 -1.764 0.426 1.00 30.44 H new ATOM 0 HD21 ASN A 28 7.790 -2.316 2.463 1.00 75.43 H new ATOM 0 HD22 ASN A 28 7.887 -2.488 0.708 1.00 75.43 H new ATOM 456 N ALA A 29 11.316 -0.026 -2.493 1.00 54.34 N ATOM 457 CA ALA A 29 12.435 0.393 -3.344 1.00 43.51 C ATOM 458 C ALA A 29 12.384 1.893 -3.633 1.00 51.11 C ATOM 459 O ALA A 29 13.418 2.529 -3.837 1.00 44.01 O ATOM 460 CB ALA A 29 12.441 -0.379 -4.649 1.00 4.24 C ATOM 0 H ALA A 29 10.546 -0.468 -2.995 1.00 54.34 H new ATOM 0 HA ALA A 29 13.354 0.177 -2.799 1.00 43.51 H new ATOM 0 HB1 ALA A 29 13.280 -0.050 -5.262 1.00 4.24 H new ATOM 0 HB2 ALA A 29 12.539 -1.444 -4.441 1.00 4.24 H new ATOM 0 HB3 ALA A 29 11.508 -0.198 -5.183 1.00 4.24 H new ATOM 466 N ALA A 30 11.183 2.456 -3.625 1.00 1.22 N ATOM 467 CA ALA A 30 10.988 3.857 -3.953 1.00 74.34 C ATOM 468 C ALA A 30 10.708 4.708 -2.711 1.00 3.23 C ATOM 469 O ALA A 30 10.212 5.816 -2.841 1.00 71.24 O ATOM 470 CB ALA A 30 9.868 3.998 -4.976 1.00 51.55 C ATOM 0 H ALA A 30 10.324 1.957 -3.393 1.00 1.22 H new ATOM 0 HA ALA A 30 11.916 4.232 -4.386 1.00 74.34 H new ATOM 0 HB1 ALA A 30 9.727 5.051 -5.218 1.00 51.55 H new ATOM 0 HB2 ALA A 30 10.131 3.450 -5.881 1.00 51.55 H new ATOM 0 HB3 ALA A 30 8.944 3.594 -4.562 1.00 51.55 H new ATOM 476 N LEU A 31 11.040 4.190 -1.515 1.00 22.41 N ATOM 477 CA LEU A 31 10.890 4.944 -0.253 1.00 4.13 C ATOM 478 C LEU A 31 11.722 6.256 -0.213 1.00 2.00 C ATOM 479 O LEU A 31 11.171 7.285 0.181 1.00 53.25 O ATOM 480 CB LEU A 31 11.226 4.077 0.978 1.00 60.53 C ATOM 481 CG LEU A 31 10.254 2.942 1.309 1.00 63.22 C ATOM 482 CD1 LEU A 31 10.785 2.136 2.477 1.00 34.44 C ATOM 483 CD2 LEU A 31 8.869 3.477 1.637 1.00 21.23 C ATOM 0 H LEU A 31 11.415 3.249 -1.394 1.00 22.41 H new ATOM 0 HA LEU A 31 9.837 5.225 -0.216 1.00 4.13 H new ATOM 0 HB2 LEU A 31 12.215 3.644 0.829 1.00 60.53 H new ATOM 0 HB3 LEU A 31 11.292 4.732 1.847 1.00 60.53 H new ATOM 0 HG LEU A 31 10.169 2.302 0.431 1.00 63.22 H new ATOM 0 HD11 LEU A 31 10.089 1.329 2.709 1.00 34.44 H new ATOM 0 HD12 LEU A 31 11.756 1.714 2.217 1.00 34.44 H new ATOM 0 HD13 LEU A 31 10.892 2.784 3.347 1.00 34.44 H new ATOM 0 HD21 LEU A 31 8.203 2.646 1.867 1.00 21.23 H new ATOM 0 HD22 LEU A 31 8.930 4.142 2.498 1.00 21.23 H new ATOM 0 HD23 LEU A 31 8.479 4.027 0.781 1.00 21.23 H new ATOM 495 N PRO A 32 13.055 6.272 -0.589 1.00 61.42 N ATOM 496 CA PRO A 32 13.832 7.530 -0.656 1.00 40.24 C ATOM 497 C PRO A 32 13.411 8.458 -1.810 1.00 54.01 C ATOM 498 O PRO A 32 13.767 9.634 -1.828 1.00 55.32 O ATOM 499 CB PRO A 32 15.275 7.052 -0.862 1.00 62.21 C ATOM 500 CG PRO A 32 15.148 5.724 -1.507 1.00 22.43 C ATOM 501 CD PRO A 32 13.931 5.106 -0.898 1.00 62.12 C ATOM 0 HA PRO A 32 13.680 8.128 0.242 1.00 40.24 H new ATOM 0 HB2 PRO A 32 15.835 7.745 -1.491 1.00 62.21 H new ATOM 0 HB3 PRO A 32 15.807 6.981 0.087 1.00 62.21 H new ATOM 0 HG2 PRO A 32 15.042 5.820 -2.588 1.00 22.43 H new ATOM 0 HG3 PRO A 32 16.032 5.113 -1.326 1.00 22.43 H new ATOM 0 HD2 PRO A 32 13.447 4.414 -1.587 1.00 62.12 H new ATOM 0 HD3 PRO A 32 14.177 4.541 0.001 1.00 62.12 H new ATOM 509 N PHE A 33 12.645 7.921 -2.761 1.00 25.52 N ATOM 510 CA PHE A 33 12.151 8.693 -3.902 1.00 73.42 C ATOM 511 C PHE A 33 10.747 9.223 -3.619 1.00 32.43 C ATOM 512 O PHE A 33 10.215 10.037 -4.375 1.00 23.32 O ATOM 513 CB PHE A 33 12.122 7.830 -5.168 1.00 3.22 C ATOM 514 CG PHE A 33 13.440 7.187 -5.497 1.00 64.40 C ATOM 515 CD1 PHE A 33 14.462 7.918 -6.078 1.00 14.42 C ATOM 516 CD2 PHE A 33 13.657 5.848 -5.213 1.00 43.35 C ATOM 517 CE1 PHE A 33 15.673 7.324 -6.371 1.00 52.04 C ATOM 518 CE2 PHE A 33 14.866 5.252 -5.503 1.00 60.42 C ATOM 519 CZ PHE A 33 15.877 5.989 -6.082 1.00 55.15 C ATOM 0 H PHE A 33 12.351 6.944 -2.762 1.00 25.52 H new ATOM 0 HA PHE A 33 12.829 9.532 -4.059 1.00 73.42 H new ATOM 0 HB2 PHE A 33 11.369 7.051 -5.048 1.00 3.22 H new ATOM 0 HB3 PHE A 33 11.810 8.448 -6.010 1.00 3.22 H new ATOM 0 HD1 PHE A 33 14.310 8.963 -6.304 1.00 14.42 H new ATOM 0 HD2 PHE A 33 12.870 5.264 -4.759 1.00 43.35 H new ATOM 0 HE1 PHE A 33 16.462 7.904 -6.827 1.00 52.04 H new ATOM 0 HE2 PHE A 33 15.021 4.207 -5.276 1.00 60.42 H new ATOM 0 HZ PHE A 33 16.825 5.524 -6.309 1.00 55.15 H new ATOM 529 N MET A 34 10.167 8.766 -2.516 1.00 23.42 N ATOM 530 CA MET A 34 8.811 9.124 -2.139 1.00 75.02 C ATOM 531 C MET A 34 8.822 10.318 -1.200 1.00 13.11 C ATOM 532 O MET A 34 9.864 10.665 -0.632 1.00 75.03 O ATOM 533 CB MET A 34 8.131 7.942 -1.445 1.00 33.44 C ATOM 534 CG MET A 34 6.734 7.648 -1.957 1.00 74.34 C ATOM 535 SD MET A 34 5.893 6.362 -1.010 1.00 51.12 S ATOM 536 CE MET A 34 6.939 4.951 -1.346 1.00 53.32 C ATOM 0 H MET A 34 10.627 8.136 -1.859 1.00 23.42 H new ATOM 0 HA MET A 34 8.259 9.383 -3.042 1.00 75.02 H new ATOM 0 HB2 MET A 34 8.749 7.053 -1.574 1.00 33.44 H new ATOM 0 HB3 MET A 34 8.080 8.142 -0.375 1.00 33.44 H new ATOM 0 HG2 MET A 34 6.141 8.562 -1.925 1.00 74.34 H new ATOM 0 HG3 MET A 34 6.792 7.343 -3.002 1.00 74.34 H new ATOM 0 HE1 MET A 34 6.394 4.231 -1.956 1.00 53.32 H new ATOM 0 HE2 MET A 34 7.831 5.278 -1.881 1.00 53.32 H new ATOM 0 HE3 MET A 34 7.231 4.483 -0.406 1.00 53.32 H new ATOM 546 N ASP A 35 7.657 10.938 -1.050 1.00 74.40 N ATOM 547 CA ASP A 35 7.456 12.026 -0.092 1.00 13.21 C ATOM 548 C ASP A 35 7.440 11.457 1.337 1.00 3.31 C ATOM 549 O ASP A 35 7.127 10.281 1.520 1.00 63.55 O ATOM 550 CB ASP A 35 6.136 12.747 -0.428 1.00 54.43 C ATOM 551 CG ASP A 35 5.864 13.969 0.429 1.00 1.24 C ATOM 552 OD1 ASP A 35 6.486 15.019 0.191 1.00 45.04 O ATOM 553 OD2 ASP A 35 5.035 13.875 1.351 1.00 0.22 O ATOM 0 H ASP A 35 6.823 10.703 -1.588 1.00 74.40 H new ATOM 0 HA ASP A 35 8.271 12.747 -0.155 1.00 13.21 H new ATOM 0 HB2 ASP A 35 6.155 13.048 -1.476 1.00 54.43 H new ATOM 0 HB3 ASP A 35 5.311 12.044 -0.313 1.00 54.43 H new ATOM 558 N GLU A 36 7.804 12.275 2.340 1.00 43.11 N ATOM 559 CA GLU A 36 7.844 11.833 3.742 1.00 74.14 C ATOM 560 C GLU A 36 6.460 11.387 4.245 1.00 43.43 C ATOM 561 O GLU A 36 6.344 10.354 4.900 1.00 63.43 O ATOM 562 CB GLU A 36 8.391 12.959 4.631 1.00 53.52 C ATOM 563 CG GLU A 36 8.483 12.599 6.111 1.00 24.11 C ATOM 564 CD GLU A 36 8.970 13.737 6.973 1.00 65.11 C ATOM 565 OE1 GLU A 36 8.144 14.576 7.392 1.00 71.51 O ATOM 566 OE2 GLU A 36 10.186 13.798 7.243 1.00 62.31 O ATOM 0 H GLU A 36 8.075 13.249 2.203 1.00 43.11 H new ATOM 0 HA GLU A 36 8.506 10.969 3.797 1.00 74.14 H new ATOM 0 HB2 GLU A 36 9.382 13.239 4.274 1.00 53.52 H new ATOM 0 HB3 GLU A 36 7.753 13.836 4.521 1.00 53.52 H new ATOM 0 HG2 GLU A 36 7.501 12.281 6.462 1.00 24.11 H new ATOM 0 HG3 GLU A 36 9.155 11.749 6.230 1.00 24.11 H new ATOM 573 N ASP A 37 5.416 12.139 3.879 1.00 2.42 N ATOM 574 CA ASP A 37 4.043 11.847 4.312 1.00 23.33 C ATOM 575 C ASP A 37 3.516 10.582 3.620 1.00 0.13 C ATOM 576 O ASP A 37 2.781 9.795 4.217 1.00 11.31 O ATOM 577 CB ASP A 37 3.130 13.047 4.014 1.00 44.53 C ATOM 578 CG ASP A 37 1.722 12.872 4.546 1.00 13.14 C ATOM 579 OD1 ASP A 37 1.526 13.003 5.765 1.00 41.10 O ATOM 580 OD2 ASP A 37 0.805 12.613 3.742 1.00 61.54 O ATOM 0 H ASP A 37 5.496 12.960 3.280 1.00 2.42 H new ATOM 0 HA ASP A 37 4.046 11.669 5.387 1.00 23.33 H new ATOM 0 HB2 ASP A 37 3.567 13.945 4.450 1.00 44.53 H new ATOM 0 HB3 ASP A 37 3.087 13.204 2.936 1.00 44.53 H new ATOM 585 N MET A 38 3.935 10.392 2.361 1.00 54.22 N ATOM 586 CA MET A 38 3.637 9.182 1.588 1.00 12.22 C ATOM 587 C MET A 38 4.310 7.939 2.172 1.00 73.24 C ATOM 588 O MET A 38 3.727 6.872 2.169 1.00 23.01 O ATOM 589 CB MET A 38 4.088 9.362 0.137 1.00 61.21 C ATOM 590 CG MET A 38 3.019 9.912 -0.787 1.00 12.14 C ATOM 591 SD MET A 38 3.646 10.289 -2.430 1.00 33.25 S ATOM 592 CE MET A 38 2.099 10.616 -3.265 1.00 50.44 C ATOM 0 H MET A 38 4.492 11.077 1.850 1.00 54.22 H new ATOM 0 HA MET A 38 2.558 9.032 1.633 1.00 12.22 H new ATOM 0 HB2 MET A 38 4.948 10.031 0.117 1.00 61.21 H new ATOM 0 HB3 MET A 38 4.424 8.399 -0.248 1.00 61.21 H new ATOM 0 HG2 MET A 38 2.209 9.188 -0.870 1.00 12.14 H new ATOM 0 HG3 MET A 38 2.596 10.816 -0.348 1.00 12.14 H new ATOM 0 HE1 MET A 38 2.274 10.694 -4.338 1.00 50.44 H new ATOM 0 HE2 MET A 38 1.401 9.802 -3.070 1.00 50.44 H new ATOM 0 HE3 MET A 38 1.677 11.551 -2.897 1.00 50.44 H new ATOM 602 N ARG A 39 5.525 8.099 2.692 1.00 11.12 N ATOM 603 CA ARG A 39 6.309 6.987 3.229 1.00 52.42 C ATOM 604 C ARG A 39 5.772 6.520 4.591 1.00 34.31 C ATOM 605 O ARG A 39 5.715 5.318 4.862 1.00 20.11 O ATOM 606 CB ARG A 39 7.773 7.415 3.348 1.00 55.35 C ATOM 607 CG ARG A 39 8.702 6.336 3.879 1.00 44.23 C ATOM 608 CD ARG A 39 10.099 6.872 4.114 1.00 63.44 C ATOM 609 NE ARG A 39 10.105 7.958 5.098 1.00 14.30 N ATOM 610 CZ ARG A 39 10.880 9.041 5.029 1.00 72.34 C ATOM 611 NH1 ARG A 39 11.740 9.201 4.029 1.00 62.03 N ATOM 612 NH2 ARG A 39 10.776 9.971 5.965 1.00 34.53 N ATOM 0 H ARG A 39 5.994 9.003 2.753 1.00 11.12 H new ATOM 0 HA ARG A 39 6.227 6.143 2.544 1.00 52.42 H new ATOM 0 HB2 ARG A 39 8.127 7.731 2.367 1.00 55.35 H new ATOM 0 HB3 ARG A 39 7.833 8.284 4.004 1.00 55.35 H new ATOM 0 HG2 ARG A 39 8.303 5.937 4.812 1.00 44.23 H new ATOM 0 HG3 ARG A 39 8.743 5.509 3.170 1.00 44.23 H new ATOM 0 HD2 ARG A 39 10.745 6.065 4.459 1.00 63.44 H new ATOM 0 HD3 ARG A 39 10.514 7.232 3.172 1.00 63.44 H new ATOM 0 HE ARG A 39 9.471 7.880 5.893 1.00 14.30 H new ATOM 0 HH11 ARG A 39 11.814 8.490 3.301 1.00 62.03 H new ATOM 0 HH12 ARG A 39 12.326 10.035 3.989 1.00 62.03 H new ATOM 0 HH21 ARG A 39 10.109 9.855 6.728 1.00 34.53 H new ATOM 0 HH22 ARG A 39 11.363 10.804 5.924 1.00 34.53 H new ATOM 626 N GLU A 40 5.369 7.471 5.435 1.00 73.12 N ATOM 627 CA GLU A 40 4.812 7.151 6.754 1.00 10.05 C ATOM 628 C GLU A 40 3.404 6.557 6.638 1.00 5.45 C ATOM 629 O GLU A 40 2.978 5.776 7.486 1.00 40.22 O ATOM 630 CB GLU A 40 4.805 8.387 7.669 1.00 52.41 C ATOM 631 CG GLU A 40 6.172 9.058 7.843 1.00 11.35 C ATOM 632 CD GLU A 40 7.291 8.090 8.185 1.00 15.24 C ATOM 633 OE1 GLU A 40 7.312 7.563 9.316 1.00 54.31 O ATOM 634 OE2 GLU A 40 8.150 7.840 7.316 1.00 70.24 O ATOM 0 H GLU A 40 5.417 8.469 5.231 1.00 73.12 H new ATOM 0 HA GLU A 40 5.458 6.398 7.205 1.00 10.05 H new ATOM 0 HB2 GLU A 40 4.105 9.118 7.265 1.00 52.41 H new ATOM 0 HB3 GLU A 40 4.431 8.095 8.650 1.00 52.41 H new ATOM 0 HG2 GLU A 40 6.428 9.584 6.923 1.00 11.35 H new ATOM 0 HG3 GLU A 40 6.100 9.809 8.630 1.00 11.35 H new ATOM 641 N LEU A 41 2.686 6.948 5.586 1.00 60.44 N ATOM 642 CA LEU A 41 1.396 6.351 5.251 1.00 21.54 C ATOM 643 C LEU A 41 1.587 4.931 4.699 1.00 72.20 C ATOM 644 O LEU A 41 0.793 4.044 4.995 1.00 31.21 O ATOM 645 CB LEU A 41 0.671 7.251 4.231 1.00 44.51 C ATOM 646 CG LEU A 41 -0.713 6.796 3.735 1.00 54.02 C ATOM 647 CD1 LEU A 41 -1.717 6.689 4.873 1.00 3.42 C ATOM 648 CD2 LEU A 41 -1.222 7.759 2.674 1.00 34.22 C ATOM 0 H LEU A 41 2.981 7.684 4.945 1.00 60.44 H new ATOM 0 HA LEU A 41 0.785 6.274 6.151 1.00 21.54 H new ATOM 0 HB2 LEU A 41 0.560 8.240 4.675 1.00 44.51 H new ATOM 0 HB3 LEU A 41 1.319 7.363 3.362 1.00 44.51 H new ATOM 0 HG LEU A 41 -0.602 5.801 3.303 1.00 54.02 H new ATOM 0 HD11 LEU A 41 -2.680 6.365 4.479 1.00 3.42 H new ATOM 0 HD12 LEU A 41 -1.362 5.963 5.605 1.00 3.42 H new ATOM 0 HD13 LEU A 41 -1.829 7.662 5.352 1.00 3.42 H new ATOM 0 HD21 LEU A 41 -2.202 7.432 2.326 1.00 34.22 H new ATOM 0 HD22 LEU A 41 -1.303 8.759 3.099 1.00 34.22 H new ATOM 0 HD23 LEU A 41 -0.527 7.777 1.835 1.00 34.22 H new ATOM 660 N ALA A 42 2.681 4.724 3.956 1.00 23.02 N ATOM 661 CA ALA A 42 2.972 3.452 3.282 1.00 13.20 C ATOM 662 C ALA A 42 3.195 2.305 4.255 1.00 62.15 C ATOM 663 O ALA A 42 2.712 1.209 4.025 1.00 34.24 O ATOM 664 CB ALA A 42 4.187 3.602 2.383 1.00 42.32 C ATOM 0 H ALA A 42 3.393 5.438 3.804 1.00 23.02 H new ATOM 0 HA ALA A 42 2.093 3.205 2.687 1.00 13.20 H new ATOM 0 HB1 ALA A 42 4.393 2.653 1.889 1.00 42.32 H new ATOM 0 HB2 ALA A 42 3.992 4.367 1.632 1.00 42.32 H new ATOM 0 HB3 ALA A 42 5.049 3.894 2.982 1.00 42.32 H new ATOM 670 N LYS A 43 3.902 2.575 5.348 1.00 14.01 N ATOM 671 CA LYS A 43 4.201 1.549 6.352 1.00 14.31 C ATOM 672 C LYS A 43 2.944 1.132 7.137 1.00 52.10 C ATOM 673 O LYS A 43 2.865 0.010 7.630 1.00 11.21 O ATOM 674 CB LYS A 43 5.329 2.016 7.285 1.00 34.10 C ATOM 675 CG LYS A 43 5.055 3.329 8.018 1.00 73.30 C ATOM 676 CD LYS A 43 6.305 3.893 8.685 1.00 34.32 C ATOM 677 CE LYS A 43 7.381 4.271 7.664 1.00 23.55 C ATOM 678 NZ LYS A 43 8.550 4.929 8.299 1.00 22.24 N ATOM 0 H LYS A 43 4.281 3.497 5.565 1.00 14.01 H new ATOM 0 HA LYS A 43 4.549 0.659 5.827 1.00 14.31 H new ATOM 0 HB2 LYS A 43 5.516 1.237 8.024 1.00 34.10 H new ATOM 0 HB3 LYS A 43 6.242 2.127 6.700 1.00 34.10 H new ATOM 0 HG2 LYS A 43 4.661 4.061 7.313 1.00 73.30 H new ATOM 0 HG3 LYS A 43 4.285 3.167 8.773 1.00 73.30 H new ATOM 0 HD2 LYS A 43 6.037 4.772 9.271 1.00 34.32 H new ATOM 0 HD3 LYS A 43 6.708 3.157 9.380 1.00 34.32 H new ATOM 0 HE2 LYS A 43 7.712 3.375 7.139 1.00 23.55 H new ATOM 0 HE3 LYS A 43 6.952 4.939 6.917 1.00 23.55 H new ATOM 0 HZ1 LYS A 43 8.680 5.876 7.889 1.00 22.24 H new ATOM 0 HZ2 LYS A 43 8.387 5.014 9.323 1.00 22.24 H new ATOM 0 HZ3 LYS A 43 9.403 4.359 8.131 1.00 22.24 H new ATOM 692 N ARG A 44 1.967 2.040 7.236 1.00 2.21 N ATOM 693 CA ARG A 44 0.679 1.742 7.864 1.00 65.11 C ATOM 694 C ARG A 44 -0.200 0.870 6.964 1.00 11.12 C ATOM 695 O ARG A 44 -0.828 -0.074 7.438 1.00 10.13 O ATOM 696 CB ARG A 44 -0.064 3.040 8.195 1.00 5.53 C ATOM 697 CG ARG A 44 0.596 3.867 9.284 1.00 50.50 C ATOM 698 CD ARG A 44 -0.010 5.262 9.383 1.00 12.13 C ATOM 699 NE ARG A 44 -1.438 5.247 9.736 1.00 74.04 N ATOM 700 CZ ARG A 44 -2.353 6.069 9.211 1.00 75.33 C ATOM 701 NH1 ARG A 44 -2.006 6.978 8.310 1.00 52.50 N ATOM 702 NH2 ARG A 44 -3.618 5.989 9.593 1.00 15.52 N ATOM 0 H ARG A 44 2.047 2.995 6.885 1.00 2.21 H new ATOM 0 HA ARG A 44 0.884 1.191 8.782 1.00 65.11 H new ATOM 0 HB2 ARG A 44 -0.141 3.644 7.291 1.00 5.53 H new ATOM 0 HB3 ARG A 44 -1.081 2.796 8.503 1.00 5.53 H new ATOM 0 HG2 ARG A 44 0.491 3.357 10.241 1.00 50.50 H new ATOM 0 HG3 ARG A 44 1.664 3.948 9.081 1.00 50.50 H new ATOM 0 HD2 ARG A 44 0.537 5.837 10.130 1.00 12.13 H new ATOM 0 HD3 ARG A 44 0.117 5.775 8.430 1.00 12.13 H new ATOM 0 HE ARG A 44 -1.751 4.565 10.427 1.00 74.04 H new ATOM 0 HH11 ARG A 44 -1.034 7.055 8.011 1.00 52.50 H new ATOM 0 HH12 ARG A 44 -2.711 7.600 7.916 1.00 52.50 H new ATOM 0 HH21 ARG A 44 -3.898 5.299 10.290 1.00 15.52 H new ATOM 0 HH22 ARG A 44 -4.313 6.618 9.190 1.00 15.52 H new ATOM 716 N THR A 45 -0.226 1.182 5.668 1.00 60.41 N ATOM 717 CA THR A 45 -1.098 0.494 4.722 1.00 13.21 C ATOM 718 C THR A 45 -0.538 -0.873 4.305 1.00 73.05 C ATOM 719 O THR A 45 -1.297 -1.812 4.081 1.00 60.41 O ATOM 720 CB THR A 45 -1.337 1.352 3.471 1.00 53.21 C ATOM 721 OG1 THR A 45 -1.583 2.708 3.854 1.00 22.31 O ATOM 722 CG2 THR A 45 -2.534 0.833 2.695 1.00 50.13 C ATOM 0 H THR A 45 0.351 1.911 5.250 1.00 60.41 H new ATOM 0 HA THR A 45 -2.045 0.330 5.236 1.00 13.21 H new ATOM 0 HB THR A 45 -0.449 1.300 2.841 1.00 53.21 H new ATOM 0 HG1 THR A 45 -0.743 3.126 4.136 1.00 22.31 H new ATOM 0 HG21 THR A 45 -2.691 1.451 1.811 1.00 50.13 H new ATOM 0 HG22 THR A 45 -2.351 -0.197 2.389 1.00 50.13 H new ATOM 0 HG23 THR A 45 -3.422 0.871 3.327 1.00 50.13 H new ATOM 730 N LEU A 46 0.788 -0.994 4.221 1.00 23.53 N ATOM 731 CA LEU A 46 1.424 -2.277 3.910 1.00 64.55 C ATOM 732 C LEU A 46 1.283 -3.263 5.061 1.00 72.04 C ATOM 733 O LEU A 46 1.252 -4.463 4.838 1.00 1.12 O ATOM 734 CB LEU A 46 2.899 -2.116 3.541 1.00 12.32 C ATOM 735 CG LEU A 46 3.183 -1.370 2.234 1.00 55.12 C ATOM 736 CD1 LEU A 46 4.672 -1.381 1.964 1.00 62.45 C ATOM 737 CD2 LEU A 46 2.420 -1.984 1.064 1.00 32.05 C ATOM 0 H LEU A 46 1.441 -0.223 4.363 1.00 23.53 H new ATOM 0 HA LEU A 46 0.900 -2.675 3.041 1.00 64.55 H new ATOM 0 HB2 LEU A 46 3.402 -1.591 4.353 1.00 12.32 H new ATOM 0 HB3 LEU A 46 3.348 -3.107 3.476 1.00 12.32 H new ATOM 0 HG LEU A 46 2.840 -0.341 2.339 1.00 55.12 H new ATOM 0 HD11 LEU A 46 4.877 -0.851 1.034 1.00 62.45 H new ATOM 0 HD12 LEU A 46 5.194 -0.890 2.785 1.00 62.45 H new ATOM 0 HD13 LEU A 46 5.019 -2.411 1.878 1.00 62.45 H new ATOM 0 HD21 LEU A 46 2.645 -1.430 0.152 1.00 32.05 H new ATOM 0 HD22 LEU A 46 2.720 -3.024 0.940 1.00 32.05 H new ATOM 0 HD23 LEU A 46 1.349 -1.937 1.263 1.00 32.05 H new ATOM 749 N ALA A 47 1.180 -2.745 6.288 1.00 24.43 N ATOM 750 CA ALA A 47 0.931 -3.568 7.472 1.00 73.11 C ATOM 751 C ALA A 47 -0.505 -4.126 7.489 1.00 71.51 C ATOM 752 O ALA A 47 -0.791 -5.080 8.205 1.00 64.32 O ATOM 753 CB ALA A 47 1.211 -2.774 8.737 1.00 12.44 C ATOM 0 H ALA A 47 1.267 -1.748 6.487 1.00 24.43 H new ATOM 0 HA ALA A 47 1.611 -4.419 7.432 1.00 73.11 H new ATOM 0 HB1 ALA A 47 1.021 -3.400 9.609 1.00 12.44 H new ATOM 0 HB2 ALA A 47 2.252 -2.452 8.741 1.00 12.44 H new ATOM 0 HB3 ALA A 47 0.561 -1.900 8.769 1.00 12.44 H new ATOM 759 N LYS A 48 -1.397 -3.528 6.689 1.00 71.40 N ATOM 760 CA LYS A 48 -2.766 -4.025 6.527 1.00 43.10 C ATOM 761 C LYS A 48 -2.792 -5.235 5.593 1.00 23.13 C ATOM 762 O LYS A 48 -3.616 -6.133 5.752 1.00 23.23 O ATOM 763 CB LYS A 48 -3.677 -2.954 5.920 1.00 71.22 C ATOM 764 CG LYS A 48 -3.767 -1.653 6.692 1.00 52.53 C ATOM 765 CD LYS A 48 -4.473 -1.823 8.026 1.00 33.14 C ATOM 766 CE LYS A 48 -4.899 -0.481 8.608 1.00 75.12 C ATOM 767 NZ LYS A 48 -3.801 0.522 8.586 1.00 43.15 N ATOM 0 H LYS A 48 -1.191 -2.693 6.141 1.00 71.40 H new ATOM 0 HA LYS A 48 -3.123 -4.298 7.520 1.00 43.10 H new ATOM 0 HB2 LYS A 48 -3.326 -2.733 4.912 1.00 71.22 H new ATOM 0 HB3 LYS A 48 -4.681 -3.369 5.824 1.00 71.22 H new ATOM 0 HG2 LYS A 48 -2.763 -1.263 6.862 1.00 52.53 H new ATOM 0 HG3 LYS A 48 -4.299 -0.914 6.093 1.00 52.53 H new ATOM 0 HD2 LYS A 48 -5.349 -2.459 7.897 1.00 33.14 H new ATOM 0 HD3 LYS A 48 -3.811 -2.331 8.727 1.00 33.14 H new ATOM 0 HE2 LYS A 48 -5.749 -0.097 8.044 1.00 75.12 H new ATOM 0 HE3 LYS A 48 -5.236 -0.624 9.635 1.00 75.12 H new ATOM 0 HZ1 LYS A 48 -3.878 1.139 9.419 1.00 43.15 H new ATOM 0 HZ2 LYS A 48 -2.883 0.033 8.601 1.00 43.15 H new ATOM 0 HZ3 LYS A 48 -3.873 1.096 7.722 1.00 43.15 H new ATOM 781 N ILE A 49 -1.876 -5.244 4.618 1.00 2.14 N ATOM 782 CA ILE A 49 -1.845 -6.282 3.585 1.00 15.35 C ATOM 783 C ILE A 49 -0.795 -7.355 3.924 1.00 73.01 C ATOM 784 O ILE A 49 -0.676 -8.369 3.233 1.00 51.10 O ATOM 785 CB ILE A 49 -1.553 -5.686 2.174 1.00 74.00 C ATOM 786 CG1 ILE A 49 -2.107 -4.261 2.046 1.00 31.33 C ATOM 787 CG2 ILE A 49 -2.188 -6.561 1.100 1.00 14.22 C ATOM 788 CD1 ILE A 49 -1.585 -3.504 0.849 1.00 55.44 C ATOM 0 H ILE A 49 -1.144 -4.540 4.524 1.00 2.14 H new ATOM 0 HA ILE A 49 -2.833 -6.741 3.561 1.00 15.35 H new ATOM 0 HB ILE A 49 -0.471 -5.655 2.043 1.00 74.00 H new ATOM 0 HG12 ILE A 49 -3.194 -4.309 1.987 1.00 31.33 H new ATOM 0 HG13 ILE A 49 -1.861 -3.704 2.950 1.00 31.33 H new ATOM 0 HG21 ILE A 49 -1.980 -6.139 0.117 1.00 14.22 H new ATOM 0 HG22 ILE A 49 -1.773 -7.567 1.158 1.00 14.22 H new ATOM 0 HG23 ILE A 49 -3.266 -6.604 1.256 1.00 14.22 H new ATOM 0 HD11 ILE A 49 -2.024 -2.506 0.830 1.00 55.44 H new ATOM 0 HD12 ILE A 49 -0.500 -3.422 0.915 1.00 55.44 H new ATOM 0 HD13 ILE A 49 -1.854 -4.036 -0.064 1.00 55.44 H new ATOM 800 N ALA A 50 -0.011 -7.096 4.978 1.00 20.33 N ATOM 801 CA ALA A 50 0.909 -8.081 5.554 1.00 41.10 C ATOM 802 C ALA A 50 0.209 -9.398 5.984 1.00 14.12 C ATOM 803 O ALA A 50 0.732 -10.463 5.663 1.00 43.54 O ATOM 804 CB ALA A 50 1.699 -7.458 6.709 1.00 10.32 C ATOM 0 H ALA A 50 0.002 -6.195 5.456 1.00 20.33 H new ATOM 0 HA ALA A 50 1.605 -8.366 4.765 1.00 41.10 H new ATOM 0 HB1 ALA A 50 2.378 -8.201 7.127 1.00 10.32 H new ATOM 0 HB2 ALA A 50 2.273 -6.608 6.340 1.00 10.32 H new ATOM 0 HB3 ALA A 50 1.008 -7.121 7.482 1.00 10.32 H new ATOM 810 N PRO A 51 -0.961 -9.394 6.713 1.00 11.15 N ATOM 811 CA PRO A 51 -1.704 -10.640 6.978 1.00 60.44 C ATOM 812 C PRO A 51 -2.573 -11.125 5.797 1.00 3.20 C ATOM 813 O PRO A 51 -3.339 -12.076 5.947 1.00 13.20 O ATOM 814 CB PRO A 51 -2.595 -10.266 8.163 1.00 11.21 C ATOM 815 CG PRO A 51 -2.861 -8.820 7.992 1.00 72.41 C ATOM 816 CD PRO A 51 -1.600 -8.246 7.419 1.00 4.25 C ATOM 0 HA PRO A 51 -1.019 -11.468 7.159 1.00 60.44 H new ATOM 0 HB2 PRO A 51 -3.520 -10.842 8.160 1.00 11.21 H new ATOM 0 HB3 PRO A 51 -2.097 -10.468 9.112 1.00 11.21 H new ATOM 0 HG2 PRO A 51 -3.707 -8.653 7.325 1.00 72.41 H new ATOM 0 HG3 PRO A 51 -3.108 -8.351 8.944 1.00 72.41 H new ATOM 0 HD2 PRO A 51 -1.812 -7.425 6.734 1.00 4.25 H new ATOM 0 HD3 PRO A 51 -0.952 -7.849 8.201 1.00 4.25 H new ATOM 824 N LEU A 52 -2.443 -10.487 4.634 1.00 64.40 N ATOM 825 CA LEU A 52 -3.220 -10.859 3.449 1.00 52.24 C ATOM 826 C LEU A 52 -2.328 -11.531 2.403 1.00 61.42 C ATOM 827 O LEU A 52 -1.102 -11.533 2.528 1.00 32.32 O ATOM 828 CB LEU A 52 -3.884 -9.629 2.817 1.00 61.04 C ATOM 829 CG LEU A 52 -4.795 -8.794 3.723 1.00 71.33 C ATOM 830 CD1 LEU A 52 -5.305 -7.590 2.957 1.00 72.21 C ATOM 831 CD2 LEU A 52 -5.966 -9.614 4.241 1.00 34.10 C ATOM 0 H LEU A 52 -1.804 -9.706 4.486 1.00 64.40 H new ATOM 0 HA LEU A 52 -3.991 -11.558 3.774 1.00 52.24 H new ATOM 0 HB2 LEU A 52 -3.098 -8.978 2.433 1.00 61.04 H new ATOM 0 HB3 LEU A 52 -4.470 -9.962 1.960 1.00 61.04 H new ATOM 0 HG LEU A 52 -4.212 -8.464 4.583 1.00 71.33 H new ATOM 0 HD11 LEU A 52 -5.953 -6.996 3.602 1.00 72.21 H new ATOM 0 HD12 LEU A 52 -4.461 -6.982 2.632 1.00 72.21 H new ATOM 0 HD13 LEU A 52 -5.868 -7.925 2.086 1.00 72.21 H new ATOM 0 HD21 LEU A 52 -6.592 -8.991 4.880 1.00 34.10 H new ATOM 0 HD22 LEU A 52 -6.556 -9.978 3.400 1.00 34.10 H new ATOM 0 HD23 LEU A 52 -5.591 -10.461 4.815 1.00 34.10 H new ATOM 843 N THR A 53 -2.956 -12.120 1.387 1.00 11.03 N ATOM 844 CA THR A 53 -2.232 -12.701 0.254 1.00 63.22 C ATOM 845 C THR A 53 -2.462 -11.871 -1.017 1.00 62.00 C ATOM 846 O THR A 53 -3.007 -10.762 -0.955 1.00 73.11 O ATOM 847 CB THR A 53 -2.661 -14.168 -0.014 1.00 45.31 C ATOM 848 OG1 THR A 53 -4.058 -14.232 -0.310 1.00 24.14 O ATOM 849 CG2 THR A 53 -2.347 -15.071 1.168 1.00 53.22 C ATOM 0 H THR A 53 -3.970 -12.208 1.324 1.00 11.03 H new ATOM 0 HA THR A 53 -1.174 -12.692 0.515 1.00 63.22 H new ATOM 0 HB THR A 53 -2.090 -14.522 -0.872 1.00 45.31 H new ATOM 0 HG1 THR A 53 -4.573 -14.048 0.503 1.00 24.14 H new ATOM 0 HG21 THR A 53 -2.662 -16.090 0.942 1.00 53.22 H new ATOM 0 HG22 THR A 53 -1.274 -15.058 1.361 1.00 53.22 H new ATOM 0 HG23 THR A 53 -2.879 -14.714 2.050 1.00 53.22 H new ATOM 857 N GLU A 54 -2.044 -12.423 -2.168 1.00 22.43 N ATOM 858 CA GLU A 54 -2.347 -11.848 -3.486 1.00 21.25 C ATOM 859 C GLU A 54 -3.840 -11.961 -3.790 1.00 40.32 C ATOM 860 O GLU A 54 -4.391 -11.135 -4.509 1.00 50.10 O ATOM 861 CB GLU A 54 -1.549 -12.558 -4.601 1.00 62.33 C ATOM 862 CG GLU A 54 -0.253 -11.881 -5.001 1.00 3.44 C ATOM 863 CD GLU A 54 0.730 -11.771 -3.866 1.00 4.11 C ATOM 864 OE1 GLU A 54 1.101 -12.803 -3.282 1.00 61.30 O ATOM 865 OE2 GLU A 54 1.106 -10.647 -3.533 1.00 65.13 O ATOM 0 H GLU A 54 -1.489 -13.277 -2.210 1.00 22.43 H new ATOM 0 HA GLU A 54 -2.058 -10.797 -3.458 1.00 21.25 H new ATOM 0 HB2 GLU A 54 -1.324 -13.573 -4.274 1.00 62.33 H new ATOM 0 HB3 GLU A 54 -2.184 -12.641 -5.483 1.00 62.33 H new ATOM 0 HG2 GLU A 54 0.205 -12.439 -5.818 1.00 3.44 H new ATOM 0 HG3 GLU A 54 -0.473 -10.883 -5.381 1.00 3.44 H new ATOM 872 N ASN A 55 -4.477 -12.995 -3.224 1.00 63.42 N ATOM 873 CA ASN A 55 -5.906 -13.263 -3.410 1.00 61.02 C ATOM 874 C ASN A 55 -6.763 -12.185 -2.735 1.00 11.15 C ATOM 875 O ASN A 55 -7.694 -11.662 -3.346 1.00 2.22 O ATOM 876 CB ASN A 55 -6.248 -14.658 -2.843 1.00 2.42 C ATOM 877 CG ASN A 55 -7.698 -15.079 -3.056 1.00 24.23 C ATOM 878 OD1 ASN A 55 -8.040 -15.658 -4.086 1.00 11.24 O ATOM 879 ND2 ASN A 55 -8.547 -14.831 -2.070 1.00 32.25 N ATOM 0 H ASN A 55 -4.010 -13.672 -2.621 1.00 63.42 H new ATOM 0 HA ASN A 55 -6.128 -13.243 -4.477 1.00 61.02 H new ATOM 0 HB2 ASN A 55 -5.595 -15.397 -3.307 1.00 2.42 H new ATOM 0 HB3 ASN A 55 -6.032 -14.667 -1.775 1.00 2.42 H new ATOM 0 HD21 ASN A 55 -9.521 -15.123 -2.150 1.00 32.25 H new ATOM 0 HD22 ASN A 55 -8.227 -14.348 -1.230 1.00 32.25 H new ATOM 886 N GLU A 56 -6.415 -11.837 -1.489 1.00 74.21 N ATOM 887 CA GLU A 56 -7.174 -10.856 -0.708 1.00 41.11 C ATOM 888 C GLU A 56 -6.977 -9.432 -1.217 1.00 22.53 C ATOM 889 O GLU A 56 -7.901 -8.616 -1.148 1.00 53.22 O ATOM 890 CB GLU A 56 -6.806 -10.906 0.778 1.00 33.44 C ATOM 891 CG GLU A 56 -7.439 -12.048 1.568 1.00 71.45 C ATOM 892 CD GLU A 56 -6.776 -13.389 1.348 1.00 31.43 C ATOM 893 OE1 GLU A 56 -5.672 -13.594 1.883 1.00 75.53 O ATOM 894 OE2 GLU A 56 -7.341 -14.233 0.630 1.00 4.45 O ATOM 0 H GLU A 56 -5.608 -12.224 -1.000 1.00 74.21 H new ATOM 0 HA GLU A 56 -8.222 -11.130 -0.830 1.00 41.11 H new ATOM 0 HB2 GLU A 56 -5.722 -10.983 0.865 1.00 33.44 H new ATOM 0 HB3 GLU A 56 -7.096 -9.962 1.239 1.00 33.44 H new ATOM 0 HG2 GLU A 56 -7.402 -11.806 2.630 1.00 71.45 H new ATOM 0 HG3 GLU A 56 -8.491 -12.125 1.295 1.00 71.45 H new ATOM 901 N TYR A 57 -5.779 -9.134 -1.719 1.00 44.23 N ATOM 902 CA TYR A 57 -5.491 -7.816 -2.274 1.00 13.21 C ATOM 903 C TYR A 57 -6.128 -7.654 -3.666 1.00 40.12 C ATOM 904 O TYR A 57 -6.423 -6.541 -4.085 1.00 60.13 O ATOM 905 CB TYR A 57 -3.977 -7.549 -2.313 1.00 60.14 C ATOM 906 CG TYR A 57 -3.612 -6.170 -2.834 1.00 45.05 C ATOM 907 CD1 TYR A 57 -4.030 -5.019 -2.176 1.00 44.33 C ATOM 908 CD2 TYR A 57 -2.874 -6.025 -3.995 1.00 43.24 C ATOM 909 CE1 TYR A 57 -3.726 -3.767 -2.672 1.00 14.32 C ATOM 910 CE2 TYR A 57 -2.558 -4.780 -4.486 1.00 74.21 C ATOM 911 CZ TYR A 57 -2.989 -3.657 -3.830 1.00 30.24 C ATOM 912 OH TYR A 57 -2.679 -2.419 -4.338 1.00 65.34 O ATOM 0 H TYR A 57 -4.996 -9.787 -1.752 1.00 44.23 H new ATOM 0 HA TYR A 57 -5.937 -7.069 -1.617 1.00 13.21 H new ATOM 0 HB2 TYR A 57 -3.570 -7.667 -1.309 1.00 60.14 H new ATOM 0 HB3 TYR A 57 -3.501 -8.302 -2.940 1.00 60.14 H new ATOM 0 HD1 TYR A 57 -4.601 -5.105 -1.263 1.00 44.33 H new ATOM 0 HD2 TYR A 57 -2.540 -6.905 -4.525 1.00 43.24 H new ATOM 0 HE1 TYR A 57 -4.064 -2.881 -2.156 1.00 14.32 H new ATOM 0 HE2 TYR A 57 -1.971 -4.688 -5.388 1.00 74.21 H new ATOM 0 HH TYR A 57 -2.087 -2.522 -5.112 1.00 65.34 H new ATOM 922 N ALA A 58 -6.361 -8.768 -4.368 1.00 12.14 N ATOM 923 CA ALA A 58 -7.057 -8.741 -5.661 1.00 41.12 C ATOM 924 C ALA A 58 -8.562 -8.506 -5.486 1.00 70.25 C ATOM 925 O ALA A 58 -9.244 -8.110 -6.430 1.00 63.21 O ATOM 926 CB ALA A 58 -6.819 -10.029 -6.429 1.00 34.14 C ATOM 0 H ALA A 58 -6.078 -9.700 -4.064 1.00 12.14 H new ATOM 0 HA ALA A 58 -6.647 -7.908 -6.232 1.00 41.12 H new ATOM 0 HB1 ALA A 58 -7.344 -9.986 -7.383 1.00 34.14 H new ATOM 0 HB2 ALA A 58 -5.751 -10.154 -6.608 1.00 34.14 H new ATOM 0 HB3 ALA A 58 -7.191 -10.873 -5.848 1.00 34.14 H new ATOM 932 N GLU A 59 -9.074 -8.774 -4.279 1.00 35.31 N ATOM 933 CA GLU A 59 -10.459 -8.455 -3.925 1.00 44.25 C ATOM 934 C GLU A 59 -10.618 -6.959 -3.643 1.00 2.31 C ATOM 935 O GLU A 59 -11.669 -6.377 -3.923 1.00 12.42 O ATOM 936 CB GLU A 59 -10.901 -9.277 -2.714 1.00 23.43 C ATOM 937 CG GLU A 59 -10.936 -10.772 -2.978 1.00 53.32 C ATOM 938 CD GLU A 59 -11.238 -11.576 -1.736 1.00 11.33 C ATOM 939 OE1 GLU A 59 -12.417 -11.648 -1.345 1.00 20.22 O ATOM 940 OE2 GLU A 59 -10.298 -12.128 -1.131 1.00 3.52 O ATOM 0 H GLU A 59 -8.544 -9.214 -3.527 1.00 35.31 H new ATOM 0 HA GLU A 59 -11.096 -8.711 -4.772 1.00 44.25 H new ATOM 0 HB2 GLU A 59 -10.224 -9.078 -1.883 1.00 23.43 H new ATOM 0 HB3 GLU A 59 -11.892 -8.947 -2.403 1.00 23.43 H new ATOM 0 HG2 GLU A 59 -11.689 -10.985 -3.736 1.00 53.32 H new ATOM 0 HG3 GLU A 59 -9.976 -11.087 -3.385 1.00 53.32 H new ATOM 947 N LEU A 60 -9.562 -6.343 -3.093 1.00 30.14 N ATOM 948 CA LEU A 60 -9.514 -4.890 -2.900 1.00 33.20 C ATOM 949 C LEU A 60 -9.372 -4.207 -4.260 1.00 33.34 C ATOM 950 O LEU A 60 -10.236 -3.414 -4.646 1.00 53.14 O ATOM 951 CB LEU A 60 -8.332 -4.502 -1.984 1.00 61.12 C ATOM 952 CG LEU A 60 -8.239 -5.242 -0.636 1.00 1.34 C ATOM 953 CD1 LEU A 60 -6.962 -4.852 0.088 1.00 0.44 C ATOM 954 CD2 LEU A 60 -9.439 -4.942 0.247 1.00 3.42 C ATOM 0 H LEU A 60 -8.727 -6.833 -2.773 1.00 30.14 H new ATOM 0 HA LEU A 60 -10.437 -4.563 -2.421 1.00 33.20 H new ATOM 0 HB2 LEU A 60 -7.405 -4.672 -2.532 1.00 61.12 H new ATOM 0 HB3 LEU A 60 -8.392 -3.432 -1.783 1.00 61.12 H new ATOM 0 HG LEU A 60 -8.228 -6.312 -0.845 1.00 1.34 H new ATOM 0 HD11 LEU A 60 -6.907 -5.381 1.039 1.00 0.44 H new ATOM 0 HD12 LEU A 60 -6.101 -5.117 -0.525 1.00 0.44 H new ATOM 0 HD13 LEU A 60 -6.961 -3.777 0.270 1.00 0.44 H new ATOM 0 HD21 LEU A 60 -9.341 -5.480 1.190 1.00 3.42 H new ATOM 0 HD22 LEU A 60 -9.487 -3.871 0.444 1.00 3.42 H new ATOM 0 HD23 LEU A 60 -10.351 -5.259 -0.259 1.00 3.42 H new ATOM 966 N ALA A 61 -8.265 -4.547 -4.961 1.00 14.35 N ATOM 967 CA ALA A 61 -7.976 -4.162 -6.362 1.00 31.50 C ATOM 968 C ALA A 61 -8.012 -2.654 -6.608 1.00 73.10 C ATOM 969 O ALA A 61 -8.253 -2.211 -7.734 1.00 44.23 O ATOM 970 CB ALA A 61 -8.928 -4.879 -7.309 1.00 35.43 C ATOM 0 H ALA A 61 -7.524 -5.116 -4.553 1.00 14.35 H new ATOM 0 HA ALA A 61 -6.950 -4.473 -6.560 1.00 31.50 H new ATOM 0 HB1 ALA A 61 -8.707 -4.589 -8.336 1.00 35.43 H new ATOM 0 HB2 ALA A 61 -8.805 -5.957 -7.202 1.00 35.43 H new ATOM 0 HB3 ALA A 61 -9.955 -4.606 -7.068 1.00 35.43 H new ATOM 976 N ILE A 62 -7.699 -1.890 -5.553 1.00 70.45 N ATOM 977 CA ILE A 62 -7.833 -0.430 -5.514 1.00 1.14 C ATOM 978 C ILE A 62 -9.296 -0.014 -5.692 1.00 34.30 C ATOM 979 O ILE A 62 -9.799 0.161 -6.810 1.00 15.24 O ATOM 980 CB ILE A 62 -6.905 0.313 -6.526 1.00 54.03 C ATOM 981 CG1 ILE A 62 -5.434 -0.105 -6.342 1.00 33.51 C ATOM 982 CG2 ILE A 62 -7.043 1.825 -6.381 1.00 2.53 C ATOM 983 CD1 ILE A 62 -4.923 0.007 -4.922 1.00 50.43 C ATOM 0 H ILE A 62 -7.337 -2.281 -4.683 1.00 70.45 H new ATOM 0 HA ILE A 62 -7.496 -0.120 -4.525 1.00 1.14 H new ATOM 0 HB ILE A 62 -7.219 0.029 -7.530 1.00 54.03 H new ATOM 0 HG12 ILE A 62 -5.318 -1.136 -6.676 1.00 33.51 H new ATOM 0 HG13 ILE A 62 -4.810 0.512 -6.989 1.00 33.51 H new ATOM 0 HG21 ILE A 62 -6.387 2.321 -7.096 1.00 2.53 H new ATOM 0 HG22 ILE A 62 -8.076 2.116 -6.574 1.00 2.53 H new ATOM 0 HG23 ILE A 62 -6.765 2.120 -5.369 1.00 2.53 H new ATOM 0 HD11 ILE A 62 -3.880 -0.307 -4.885 1.00 50.43 H new ATOM 0 HD12 ILE A 62 -5.003 1.041 -4.587 1.00 50.43 H new ATOM 0 HD13 ILE A 62 -5.518 -0.632 -4.270 1.00 50.43 H new ATOM 995 N PHE A 63 -9.981 0.088 -4.569 1.00 40.24 N ATOM 996 CA PHE A 63 -11.364 0.516 -4.553 1.00 60.24 C ATOM 997 C PHE A 63 -11.460 2.016 -4.238 1.00 3.30 C ATOM 998 O PHE A 63 -12.237 2.740 -4.861 1.00 72.43 O ATOM 999 CB PHE A 63 -12.209 -0.345 -3.572 1.00 3.10 C ATOM 1000 CG PHE A 63 -11.696 -0.441 -2.146 1.00 3.51 C ATOM 1001 CD1 PHE A 63 -10.665 -1.311 -1.814 1.00 52.54 C ATOM 1002 CD2 PHE A 63 -12.259 0.328 -1.138 1.00 52.22 C ATOM 1003 CE1 PHE A 63 -10.204 -1.400 -0.517 1.00 13.05 C ATOM 1004 CE2 PHE A 63 -11.799 0.238 0.160 1.00 13.41 C ATOM 1005 CZ PHE A 63 -10.772 -0.627 0.471 1.00 60.12 C ATOM 0 H PHE A 63 -9.596 -0.122 -3.648 1.00 40.24 H new ATOM 0 HA PHE A 63 -11.785 0.363 -5.547 1.00 60.24 H new ATOM 0 HB2 PHE A 63 -13.220 0.061 -3.545 1.00 3.10 H new ATOM 0 HB3 PHE A 63 -12.281 -1.354 -3.978 1.00 3.10 H new ATOM 0 HD1 PHE A 63 -10.219 -1.926 -2.582 1.00 52.54 H new ATOM 0 HD2 PHE A 63 -13.067 1.005 -1.372 1.00 52.22 H new ATOM 0 HE1 PHE A 63 -9.397 -2.076 -0.276 1.00 13.05 H new ATOM 0 HE2 PHE A 63 -12.244 0.846 0.933 1.00 13.41 H new ATOM 0 HZ PHE A 63 -10.414 -0.698 1.487 1.00 60.12 H new ATOM 1015 N ALA A 64 -10.618 2.490 -3.316 1.00 34.24 N ATOM 1016 CA ALA A 64 -10.703 3.859 -2.829 1.00 42.24 C ATOM 1017 C ALA A 64 -9.583 4.746 -3.384 1.00 41.53 C ATOM 1018 O ALA A 64 -8.591 5.026 -2.704 1.00 3.31 O ATOM 1019 CB ALA A 64 -10.706 3.871 -1.311 1.00 33.14 C ATOM 0 H ALA A 64 -9.870 1.940 -2.894 1.00 34.24 H new ATOM 0 HA ALA A 64 -11.641 4.281 -3.190 1.00 42.24 H new ATOM 0 HB1 ALA A 64 -10.770 4.899 -0.955 1.00 33.14 H new ATOM 0 HB2 ALA A 64 -11.563 3.306 -0.944 1.00 33.14 H new ATOM 0 HB3 ALA A 64 -9.787 3.416 -0.942 1.00 33.14 H new ATOM 1025 N ALA A 65 -9.743 5.136 -4.645 1.00 22.20 N ATOM 1026 CA ALA A 65 -8.872 6.118 -5.299 1.00 50.23 C ATOM 1027 C ALA A 65 -9.644 6.862 -6.391 1.00 14.15 C ATOM 1028 O ALA A 65 -9.070 7.614 -7.182 1.00 23.43 O ATOM 1029 CB ALA A 65 -7.635 5.447 -5.883 1.00 22.24 C ATOM 0 H ALA A 65 -10.484 4.780 -5.249 1.00 22.20 H new ATOM 0 HA ALA A 65 -8.542 6.837 -4.549 1.00 50.23 H new ATOM 0 HB1 ALA A 65 -7.006 6.197 -6.362 1.00 22.24 H new ATOM 0 HB2 ALA A 65 -7.075 4.960 -5.085 1.00 22.24 H new ATOM 0 HB3 ALA A 65 -7.938 4.703 -6.620 1.00 22.24 H new