USER MOD reduce.3.24.130724 H: found=0, std=0, add=459, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 460 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 55 GLN : amide:sc= -0.951 K(o=-0.95,f=-4!) USER MOD Set 1.2: A 56 ASN : amide:sc= 0 K(o=-0.95,f=-4) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -2.25 K(o=-2.2,f=-6.6!) USER MOD Single : A 18 SER OG : rot 180:sc= 0.114 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -140:sc= -0.166 (180deg=-1.59!) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -168:sc= -0.0253 (180deg=-0.223) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -0.0781 K(o=-0.078,f=-1.1) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 LYS NZ :NH3+ -158:sc= -0.0375 (180deg=-0.246) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -3.52 K(o=-3.5,f=-10!) USER MOD Single : A 60 LYS NZ :NH3+ -160:sc= -0.0413 (180deg=-0.333) USER MOD ----------------------------------------------------------------- ATOM 28 N GLU A 3 2.453 6.941 0.064 1.00 24.23 N ATOM 29 CA GLU A 3 2.472 7.791 1.249 1.00 4.12 C ATOM 30 C GLU A 3 1.053 8.135 1.693 1.00 21.13 C ATOM 31 O GLU A 3 0.821 8.484 2.850 1.00 23.33 O ATOM 32 CB GLU A 3 3.256 9.075 0.970 1.00 71.31 C ATOM 33 CG GLU A 3 2.682 9.906 -0.165 1.00 43.14 C ATOM 34 CD GLU A 3 3.460 9.746 -1.457 1.00 5.00 C ATOM 35 OE1 GLU A 3 4.131 8.705 -1.621 1.00 72.23 O ATOM 36 OE2 GLU A 3 3.397 10.662 -2.304 1.00 43.01 O ATOM 0 HA GLU A 3 2.963 7.241 2.052 1.00 4.12 H new ATOM 0 HB2 GLU A 3 3.279 9.680 1.876 1.00 71.31 H new ATOM 0 HB3 GLU A 3 4.288 8.816 0.733 1.00 71.31 H new ATOM 0 HG2 GLU A 3 1.644 9.618 -0.332 1.00 43.14 H new ATOM 0 HG3 GLU A 3 2.678 10.957 0.125 1.00 43.14 H new ATOM 43 N ALA A 4 0.108 8.036 0.764 1.00 50.34 N ATOM 44 CA ALA A 4 -1.288 8.335 1.059 1.00 60.24 C ATOM 45 C ALA A 4 -1.769 7.559 2.281 1.00 65.32 C ATOM 46 O ALA A 4 -2.688 7.988 2.980 1.00 13.23 O ATOM 47 CB ALA A 4 -2.161 8.020 -0.145 1.00 3.41 C ATOM 0 H ALA A 4 0.284 7.751 -0.199 1.00 50.34 H new ATOM 0 HA ALA A 4 -1.367 9.399 1.282 1.00 60.24 H new ATOM 0 HB1 ALA A 4 -3.201 8.248 0.090 1.00 3.41 H new ATOM 0 HB2 ALA A 4 -1.840 8.623 -0.995 1.00 3.41 H new ATOM 0 HB3 ALA A 4 -2.069 6.963 -0.395 1.00 3.41 H new ATOM 53 N LEU A 5 -1.143 6.415 2.534 1.00 4.34 N ATOM 54 CA LEU A 5 -1.508 5.577 3.671 1.00 13.53 C ATOM 55 C LEU A 5 -1.296 6.322 4.985 1.00 25.11 C ATOM 56 O LEU A 5 -2.101 6.213 5.909 1.00 63.34 O ATOM 57 CB LEU A 5 -0.687 4.287 3.665 1.00 15.24 C ATOM 58 CG LEU A 5 -0.414 3.672 2.291 1.00 72.30 C ATOM 59 CD1 LEU A 5 0.267 2.320 2.437 1.00 64.24 C ATOM 60 CD2 LEU A 5 -1.707 3.538 1.500 1.00 43.41 C ATOM 0 H LEU A 5 -0.380 6.046 1.967 1.00 4.34 H new ATOM 0 HA LEU A 5 -2.565 5.327 3.582 1.00 13.53 H new ATOM 0 HB2 LEU A 5 0.269 4.486 4.148 1.00 15.24 H new ATOM 0 HB3 LEU A 5 -1.205 3.547 4.276 1.00 15.24 H new ATOM 0 HG LEU A 5 0.256 4.335 1.744 1.00 72.30 H new ATOM 0 HD11 LEU A 5 0.453 1.898 1.449 1.00 64.24 H new ATOM 0 HD12 LEU A 5 1.214 2.444 2.963 1.00 64.24 H new ATOM 0 HD13 LEU A 5 -0.377 1.647 3.003 1.00 64.24 H new ATOM 0 HD21 LEU A 5 -1.494 3.099 0.525 1.00 43.41 H new ATOM 0 HD22 LEU A 5 -2.401 2.896 2.043 1.00 43.41 H new ATOM 0 HD23 LEU A 5 -2.154 4.523 1.364 1.00 43.41 H new ATOM 72 N PHE A 6 -0.207 7.081 5.059 1.00 63.32 N ATOM 73 CA PHE A 6 0.110 7.845 6.260 1.00 31.44 C ATOM 74 C PHE A 6 -0.982 8.868 6.559 1.00 34.31 C ATOM 75 O PHE A 6 -1.445 8.986 7.694 1.00 31.51 O ATOM 76 CB PHE A 6 1.457 8.554 6.098 1.00 42.34 C ATOM 77 CG PHE A 6 1.640 9.715 7.032 1.00 71.34 C ATOM 78 CD1 PHE A 6 1.094 10.954 6.735 1.00 61.21 C ATOM 79 CD2 PHE A 6 2.358 9.569 8.209 1.00 3.32 C ATOM 80 CE1 PHE A 6 1.261 12.024 7.593 1.00 74.11 C ATOM 81 CE2 PHE A 6 2.527 10.635 9.070 1.00 32.35 C ATOM 82 CZ PHE A 6 1.979 11.865 8.762 1.00 1.41 C ATOM 0 H PHE A 6 0.470 7.183 4.303 1.00 63.32 H new ATOM 0 HA PHE A 6 0.171 7.149 7.097 1.00 31.44 H new ATOM 0 HB2 PHE A 6 2.259 7.835 6.264 1.00 42.34 H new ATOM 0 HB3 PHE A 6 1.552 8.906 5.071 1.00 42.34 H new ATOM 0 HD1 PHE A 6 0.532 11.084 5.822 1.00 61.21 H new ATOM 0 HD2 PHE A 6 2.790 8.610 8.455 1.00 3.32 H new ATOM 0 HE1 PHE A 6 0.830 12.984 7.350 1.00 74.11 H new ATOM 0 HE2 PHE A 6 3.088 10.507 9.984 1.00 32.35 H new ATOM 0 HZ PHE A 6 2.112 12.700 9.434 1.00 1.41 H new ATOM 92 N LYS A 7 -1.390 9.606 5.533 1.00 14.12 N ATOM 93 CA LYS A 7 -2.428 10.619 5.682 1.00 32.34 C ATOM 94 C LYS A 7 -3.802 9.973 5.822 1.00 73.21 C ATOM 95 O LYS A 7 -4.709 10.546 6.426 1.00 30.31 O ATOM 96 CB LYS A 7 -2.419 11.570 4.483 1.00 11.11 C ATOM 97 CG LYS A 7 -1.169 12.428 4.396 1.00 64.21 C ATOM 98 CD LYS A 7 -1.299 13.496 3.323 1.00 61.25 C ATOM 99 CE LYS A 7 -0.627 14.794 3.745 1.00 3.10 C ATOM 100 NZ LYS A 7 -1.340 15.987 3.209 1.00 21.04 N ATOM 0 H LYS A 7 -1.017 9.522 4.587 1.00 14.12 H new ATOM 0 HA LYS A 7 -2.219 11.187 6.589 1.00 32.34 H new ATOM 0 HB2 LYS A 7 -2.514 10.987 3.567 1.00 11.11 H new ATOM 0 HB3 LYS A 7 -3.292 12.220 4.539 1.00 11.11 H new ATOM 0 HG2 LYS A 7 -0.983 12.901 5.360 1.00 64.21 H new ATOM 0 HG3 LYS A 7 -0.307 11.796 4.179 1.00 64.21 H new ATOM 0 HD2 LYS A 7 -0.852 13.138 2.396 1.00 61.25 H new ATOM 0 HD3 LYS A 7 -2.353 13.681 3.118 1.00 61.25 H new ATOM 0 HE2 LYS A 7 -0.594 14.849 4.833 1.00 3.10 H new ATOM 0 HE3 LYS A 7 0.405 14.800 3.394 1.00 3.10 H new ATOM 0 HZ1 LYS A 7 -0.852 16.851 3.518 1.00 21.04 H new ATOM 0 HZ2 LYS A 7 -1.350 15.948 2.170 1.00 21.04 H new ATOM 0 HZ3 LYS A 7 -2.317 15.996 3.564 1.00 21.04 H new ATOM 114 N GLU A 8 -3.949 8.776 5.261 1.00 53.31 N ATOM 115 CA GLU A 8 -5.213 8.054 5.324 1.00 61.31 C ATOM 116 C GLU A 8 -5.528 7.633 6.757 1.00 54.14 C ATOM 117 O GLU A 8 -6.672 7.731 7.206 1.00 24.34 O ATOM 118 CB GLU A 8 -5.168 6.821 4.418 1.00 23.55 C ATOM 119 CG GLU A 8 -6.515 6.140 4.249 1.00 54.21 C ATOM 120 CD GLU A 8 -6.389 4.709 3.762 1.00 30.31 C ATOM 121 OE1 GLU A 8 -5.328 4.094 4.000 1.00 12.34 O ATOM 122 OE2 GLU A 8 -7.349 4.206 3.143 1.00 22.14 O ATOM 0 H GLU A 8 -3.208 8.287 4.758 1.00 53.31 H new ATOM 0 HA GLU A 8 -6.001 8.723 4.977 1.00 61.31 H new ATOM 0 HB2 GLU A 8 -4.793 7.115 3.437 1.00 23.55 H new ATOM 0 HB3 GLU A 8 -4.457 6.104 4.829 1.00 23.55 H new ATOM 0 HG2 GLU A 8 -7.045 6.150 5.201 1.00 54.21 H new ATOM 0 HG3 GLU A 8 -7.119 6.709 3.542 1.00 54.21 H new ATOM 129 N ILE A 9 -4.508 7.167 7.468 1.00 75.15 N ATOM 130 CA ILE A 9 -4.676 6.733 8.850 1.00 31.41 C ATOM 131 C ILE A 9 -4.981 7.916 9.764 1.00 63.40 C ATOM 132 O ILE A 9 -5.565 7.751 10.834 1.00 72.44 O ATOM 133 CB ILE A 9 -3.421 6.008 9.368 1.00 63.41 C ATOM 134 CG1 ILE A 9 -3.181 4.724 8.570 1.00 75.53 C ATOM 135 CG2 ILE A 9 -3.563 5.698 10.851 1.00 23.25 C ATOM 136 CD1 ILE A 9 -4.264 3.685 8.758 1.00 71.13 C ATOM 0 H ILE A 9 -3.557 7.080 7.111 1.00 75.15 H new ATOM 0 HA ILE A 9 -5.517 6.040 8.864 1.00 31.41 H new ATOM 0 HB ILE A 9 -2.560 6.663 9.234 1.00 63.41 H new ATOM 0 HG12 ILE A 9 -3.107 4.972 7.511 1.00 75.53 H new ATOM 0 HG13 ILE A 9 -2.223 4.296 8.865 1.00 75.53 H new ATOM 0 HG21 ILE A 9 -2.668 5.185 11.203 1.00 23.25 H new ATOM 0 HG22 ILE A 9 -3.691 6.627 11.406 1.00 23.25 H new ATOM 0 HG23 ILE A 9 -4.432 5.059 11.008 1.00 23.25 H new ATOM 0 HD11 ILE A 9 -4.029 2.802 8.163 1.00 71.13 H new ATOM 0 HD12 ILE A 9 -4.324 3.408 9.811 1.00 71.13 H new ATOM 0 HD13 ILE A 9 -5.221 4.095 8.436 1.00 71.13 H new ATOM 148 N ASP A 10 -4.580 9.107 9.334 1.00 42.52 N ATOM 149 CA ASP A 10 -4.813 10.318 10.112 1.00 42.01 C ATOM 150 C ASP A 10 -6.254 10.794 9.959 1.00 50.15 C ATOM 151 O ASP A 10 -6.530 11.745 9.228 1.00 41.14 O ATOM 152 CB ASP A 10 -3.849 11.423 9.677 1.00 12.11 C ATOM 153 CG ASP A 10 -2.586 11.453 10.515 1.00 32.12 C ATOM 154 OD1 ASP A 10 -2.699 11.457 11.758 1.00 40.22 O ATOM 155 OD2 ASP A 10 -1.484 11.474 9.927 1.00 20.21 O ATOM 0 H ASP A 10 -4.092 9.260 8.451 1.00 42.52 H new ATOM 0 HA ASP A 10 -4.636 10.085 11.162 1.00 42.01 H new ATOM 0 HB2 ASP A 10 -3.583 11.278 8.630 1.00 12.11 H new ATOM 0 HB3 ASP A 10 -4.351 12.388 9.748 1.00 12.11 H new ATOM 160 N VAL A 11 -7.169 10.126 10.654 1.00 5.31 N ATOM 161 CA VAL A 11 -8.583 10.480 10.596 1.00 15.35 C ATOM 162 C VAL A 11 -8.807 11.919 11.045 1.00 61.24 C ATOM 163 O VAL A 11 -9.828 12.528 10.727 1.00 20.23 O ATOM 164 CB VAL A 11 -9.434 9.541 11.471 1.00 33.31 C ATOM 165 CG1 VAL A 11 -10.916 9.799 11.248 1.00 3.34 C ATOM 166 CG2 VAL A 11 -9.087 8.087 11.186 1.00 55.33 C ATOM 0 H VAL A 11 -6.957 9.337 11.264 1.00 5.31 H new ATOM 0 HA VAL A 11 -8.894 10.374 9.557 1.00 15.35 H new ATOM 0 HB VAL A 11 -9.209 9.745 12.518 1.00 33.31 H new ATOM 0 HG11 VAL A 11 -11.501 9.126 11.875 1.00 3.34 H new ATOM 0 HG12 VAL A 11 -11.149 10.832 11.508 1.00 3.34 H new ATOM 0 HG13 VAL A 11 -11.162 9.625 10.201 1.00 3.34 H new ATOM 0 HG21 VAL A 11 -9.698 7.438 11.813 1.00 55.33 H new ATOM 0 HG22 VAL A 11 -9.281 7.866 10.137 1.00 55.33 H new ATOM 0 HG23 VAL A 11 -8.033 7.915 11.404 1.00 55.33 H new ATOM 176 N ASN A 12 -7.846 12.458 11.789 1.00 62.23 N ATOM 177 CA ASN A 12 -7.939 13.827 12.284 1.00 30.24 C ATOM 178 C ASN A 12 -7.485 14.821 11.221 1.00 12.41 C ATOM 179 O ASN A 12 -7.508 16.032 11.437 1.00 41.14 O ATOM 180 CB ASN A 12 -7.092 13.993 13.548 1.00 43.25 C ATOM 181 CG ASN A 12 -5.734 13.329 13.425 1.00 63.22 C ATOM 182 OD1 ASN A 12 -5.229 13.122 12.322 1.00 50.34 O ATOM 183 ND2 ASN A 12 -5.138 12.989 14.562 1.00 11.14 N ATOM 0 H ASN A 12 -6.994 11.968 12.062 1.00 62.23 H new ATOM 0 HA ASN A 12 -8.983 14.030 12.524 1.00 30.24 H new ATOM 0 HB2 ASN A 12 -6.957 15.055 13.755 1.00 43.25 H new ATOM 0 HB3 ASN A 12 -7.626 13.568 14.398 1.00 43.25 H new ATOM 0 HD21 ASN A 12 -4.224 12.537 14.543 1.00 11.14 H new ATOM 0 HD22 ASN A 12 -5.594 13.180 15.454 1.00 11.14 H new ATOM 190 N GLY A 13 -7.074 14.301 10.068 1.00 3.13 N ATOM 191 CA GLY A 13 -6.621 15.157 8.987 1.00 24.12 C ATOM 192 C GLY A 13 -5.594 16.174 9.443 1.00 62.32 C ATOM 193 O GLY A 13 -5.686 17.354 9.105 1.00 52.23 O ATOM 0 H GLY A 13 -7.047 13.302 9.863 1.00 3.13 H new ATOM 0 HA2 GLY A 13 -6.192 14.542 8.196 1.00 24.12 H new ATOM 0 HA3 GLY A 13 -7.477 15.677 8.557 1.00 24.12 H new ATOM 197 N ASP A 14 -4.615 15.717 10.216 1.00 72.41 N ATOM 198 CA ASP A 14 -3.566 16.595 10.721 1.00 53.41 C ATOM 199 C ASP A 14 -2.266 16.390 9.949 1.00 12.31 C ATOM 200 O ASP A 14 -1.362 17.223 10.003 1.00 11.32 O ATOM 201 CB ASP A 14 -3.333 16.343 12.212 1.00 1.13 C ATOM 202 CG ASP A 14 -3.067 14.882 12.517 1.00 12.43 C ATOM 203 OD1 ASP A 14 -2.897 14.097 11.560 1.00 12.22 O ATOM 204 OD2 ASP A 14 -3.027 14.524 13.712 1.00 3.03 O ATOM 0 H ASP A 14 -4.526 14.743 10.507 1.00 72.41 H new ATOM 0 HA ASP A 14 -3.892 17.626 10.581 1.00 53.41 H new ATOM 0 HB2 ASP A 14 -2.488 16.942 12.551 1.00 1.13 H new ATOM 0 HB3 ASP A 14 -4.205 16.676 12.775 1.00 1.13 H new ATOM 209 N GLY A 15 -2.181 15.276 9.230 1.00 3.33 N ATOM 210 CA GLY A 15 -0.987 14.980 8.458 1.00 53.40 C ATOM 211 C GLY A 15 0.214 14.693 9.335 1.00 65.21 C ATOM 212 O GLY A 15 1.356 14.781 8.884 1.00 54.21 O ATOM 0 H GLY A 15 -2.917 14.573 9.168 1.00 3.33 H new ATOM 0 HA2 GLY A 15 -1.177 14.120 7.816 1.00 53.40 H new ATOM 0 HA3 GLY A 15 -0.763 15.823 7.804 1.00 53.40 H new ATOM 216 N ALA A 16 -0.041 14.348 10.593 1.00 52.34 N ATOM 217 CA ALA A 16 1.028 14.046 11.535 1.00 62.30 C ATOM 218 C ALA A 16 0.731 12.768 12.313 1.00 1.24 C ATOM 219 O ALA A 16 -0.390 12.558 12.776 1.00 12.12 O ATOM 220 CB ALA A 16 1.234 15.212 12.492 1.00 11.24 C ATOM 0 H ALA A 16 -0.980 14.271 10.983 1.00 52.34 H new ATOM 0 HA ALA A 16 1.945 13.890 10.967 1.00 62.30 H new ATOM 0 HB1 ALA A 16 2.036 14.972 13.190 1.00 11.24 H new ATOM 0 HB2 ALA A 16 1.500 16.105 11.926 1.00 11.24 H new ATOM 0 HB3 ALA A 16 0.313 15.395 13.046 1.00 11.24 H new ATOM 226 N VAL A 17 1.742 11.917 12.451 1.00 21.13 N ATOM 227 CA VAL A 17 1.589 10.659 13.173 1.00 4.35 C ATOM 228 C VAL A 17 2.610 10.544 14.300 1.00 40.53 C ATOM 229 O VAL A 17 3.811 10.442 14.054 1.00 63.21 O ATOM 230 CB VAL A 17 1.741 9.450 12.231 1.00 24.51 C ATOM 231 CG1 VAL A 17 1.821 8.157 13.030 1.00 1.03 C ATOM 232 CG2 VAL A 17 0.592 9.400 11.236 1.00 54.45 C ATOM 0 H VAL A 17 2.676 12.075 12.073 1.00 21.13 H new ATOM 0 HA VAL A 17 0.584 10.657 13.596 1.00 4.35 H new ATOM 0 HB VAL A 17 2.670 9.563 11.672 1.00 24.51 H new ATOM 0 HG11 VAL A 17 1.928 7.314 12.348 1.00 1.03 H new ATOM 0 HG12 VAL A 17 2.681 8.195 13.698 1.00 1.03 H new ATOM 0 HG13 VAL A 17 0.911 8.035 13.617 1.00 1.03 H new ATOM 0 HG21 VAL A 17 0.717 8.539 10.579 1.00 54.45 H new ATOM 0 HG22 VAL A 17 -0.352 9.312 11.774 1.00 54.45 H new ATOM 0 HG23 VAL A 17 0.586 10.313 10.641 1.00 54.45 H new ATOM 242 N SER A 18 2.122 10.561 15.536 1.00 44.31 N ATOM 243 CA SER A 18 2.992 10.461 16.702 1.00 11.43 C ATOM 244 C SER A 18 3.295 9.003 17.031 1.00 11.12 C ATOM 245 O SER A 18 2.765 8.089 16.399 1.00 0.44 O ATOM 246 CB SER A 18 2.344 11.144 17.908 1.00 20.23 C ATOM 247 OG SER A 18 0.983 11.444 17.653 1.00 44.33 O ATOM 0 H SER A 18 1.129 10.643 15.756 1.00 44.31 H new ATOM 0 HA SER A 18 3.930 10.965 16.469 1.00 11.43 H new ATOM 0 HB2 SER A 18 2.419 10.496 18.781 1.00 20.23 H new ATOM 0 HB3 SER A 18 2.884 12.061 18.144 1.00 20.23 H new ATOM 0 HG SER A 18 0.591 11.878 18.439 1.00 44.33 H new ATOM 253 N TYR A 19 4.151 8.793 18.025 1.00 4.33 N ATOM 254 CA TYR A 19 4.529 7.446 18.437 1.00 50.32 C ATOM 255 C TYR A 19 3.294 6.573 18.640 1.00 13.11 C ATOM 256 O TYR A 19 3.246 5.432 18.182 1.00 70.01 O ATOM 257 CB TYR A 19 5.349 7.496 19.727 1.00 61.44 C ATOM 258 CG TYR A 19 4.624 8.152 20.881 1.00 52.13 C ATOM 259 CD1 TYR A 19 4.589 9.535 21.008 1.00 72.12 C ATOM 260 CD2 TYR A 19 3.973 7.390 21.842 1.00 44.24 C ATOM 261 CE1 TYR A 19 3.929 10.139 22.060 1.00 74.54 C ATOM 262 CE2 TYR A 19 3.309 7.985 22.898 1.00 0.35 C ATOM 263 CZ TYR A 19 3.290 9.360 23.002 1.00 45.24 C ATOM 264 OH TYR A 19 2.630 9.957 24.051 1.00 20.41 O ATOM 0 H TYR A 19 4.596 9.538 18.560 1.00 4.33 H new ATOM 0 HA TYR A 19 5.136 7.008 17.645 1.00 50.32 H new ATOM 0 HB2 TYR A 19 5.624 6.481 20.012 1.00 61.44 H new ATOM 0 HB3 TYR A 19 6.276 8.036 19.537 1.00 61.44 H new ATOM 0 HD1 TYR A 19 5.087 10.148 20.271 1.00 72.12 H new ATOM 0 HD2 TYR A 19 3.986 6.313 21.763 1.00 44.24 H new ATOM 0 HE1 TYR A 19 3.913 11.216 22.145 1.00 74.54 H new ATOM 0 HE2 TYR A 19 2.808 7.377 23.637 1.00 0.35 H new ATOM 0 HH TYR A 19 2.233 9.267 24.623 1.00 20.41 H new ATOM 274 N GLU A 20 2.297 7.119 19.330 1.00 14.23 N ATOM 275 CA GLU A 20 1.062 6.391 19.593 1.00 73.24 C ATOM 276 C GLU A 20 0.362 6.016 18.290 1.00 14.43 C ATOM 277 O GLU A 20 -0.043 4.871 18.099 1.00 40.55 O ATOM 278 CB GLU A 20 0.125 7.230 20.464 1.00 22.50 C ATOM 279 CG GLU A 20 0.010 6.727 21.894 1.00 11.32 C ATOM 280 CD GLU A 20 -1.316 7.087 22.534 1.00 31.40 C ATOM 281 OE1 GLU A 20 -2.368 6.718 21.970 1.00 35.52 O ATOM 282 OE2 GLU A 20 -1.303 7.737 23.601 1.00 22.45 O ATOM 0 H GLU A 20 2.321 8.063 19.717 1.00 14.23 H new ATOM 0 HA GLU A 20 1.318 5.474 20.124 1.00 73.24 H new ATOM 0 HB2 GLU A 20 0.481 8.260 20.478 1.00 22.50 H new ATOM 0 HB3 GLU A 20 -0.866 7.241 20.011 1.00 22.50 H new ATOM 0 HG2 GLU A 20 0.132 5.644 21.905 1.00 11.32 H new ATOM 0 HG3 GLU A 20 0.822 7.146 22.489 1.00 11.32 H new ATOM 289 N GLU A 21 0.225 6.992 17.396 1.00 72.24 N ATOM 290 CA GLU A 21 -0.427 6.764 16.112 1.00 35.30 C ATOM 291 C GLU A 21 0.272 5.651 15.338 1.00 11.42 C ATOM 292 O GLU A 21 -0.374 4.859 14.650 1.00 21.43 O ATOM 293 CB GLU A 21 -0.433 8.052 15.284 1.00 64.13 C ATOM 294 CG GLU A 21 -1.636 8.941 15.550 1.00 64.44 C ATOM 295 CD GLU A 21 -2.372 9.322 14.281 1.00 54.22 C ATOM 296 OE1 GLU A 21 -1.705 9.509 13.242 1.00 13.14 O ATOM 297 OE2 GLU A 21 -3.615 9.435 14.327 1.00 52.01 O ATOM 0 H GLU A 21 0.557 7.946 17.538 1.00 72.24 H new ATOM 0 HA GLU A 21 -1.456 6.458 16.303 1.00 35.30 H new ATOM 0 HB2 GLU A 21 0.477 8.614 15.495 1.00 64.13 H new ATOM 0 HB3 GLU A 21 -0.410 7.793 14.225 1.00 64.13 H new ATOM 0 HG2 GLU A 21 -2.322 8.426 16.223 1.00 64.44 H new ATOM 0 HG3 GLU A 21 -1.308 9.846 16.061 1.00 64.44 H new ATOM 304 N VAL A 22 1.595 5.599 15.452 1.00 63.31 N ATOM 305 CA VAL A 22 2.382 4.582 14.763 1.00 74.51 C ATOM 306 C VAL A 22 2.061 3.188 15.289 1.00 63.53 C ATOM 307 O VAL A 22 1.705 2.290 14.525 1.00 75.22 O ATOM 308 CB VAL A 22 3.892 4.843 14.918 1.00 21.44 C ATOM 309 CG1 VAL A 22 4.694 3.652 14.414 1.00 53.32 C ATOM 310 CG2 VAL A 22 4.292 6.114 14.185 1.00 4.54 C ATOM 0 H VAL A 22 2.145 6.249 16.014 1.00 63.31 H new ATOM 0 HA VAL A 22 2.117 4.637 13.707 1.00 74.51 H new ATOM 0 HB VAL A 22 4.113 4.978 15.977 1.00 21.44 H new ATOM 0 HG11 VAL A 22 5.759 3.854 14.531 1.00 53.32 H new ATOM 0 HG12 VAL A 22 4.428 2.765 14.988 1.00 53.32 H new ATOM 0 HG13 VAL A 22 4.471 3.483 13.361 1.00 53.32 H new ATOM 0 HG21 VAL A 22 5.362 6.282 14.306 1.00 4.54 H new ATOM 0 HG22 VAL A 22 4.058 6.012 13.125 1.00 4.54 H new ATOM 0 HG23 VAL A 22 3.743 6.960 14.598 1.00 4.54 H new ATOM 320 N LYS A 23 2.189 3.013 16.599 1.00 63.54 N ATOM 321 CA LYS A 23 1.911 1.727 17.231 1.00 32.30 C ATOM 322 C LYS A 23 0.499 1.254 16.901 1.00 22.53 C ATOM 323 O LYS A 23 0.266 0.062 16.701 1.00 4.51 O ATOM 324 CB LYS A 23 2.083 1.833 18.748 1.00 14.43 C ATOM 325 CG LYS A 23 3.284 1.068 19.278 1.00 74.35 C ATOM 326 CD LYS A 23 2.969 -0.408 19.458 1.00 72.33 C ATOM 327 CE LYS A 23 2.001 -0.636 20.609 1.00 54.41 C ATOM 328 NZ LYS A 23 2.700 -1.089 21.842 1.00 22.35 N ATOM 0 H LYS A 23 2.484 3.745 17.245 1.00 63.54 H new ATOM 0 HA LYS A 23 2.621 0.997 16.841 1.00 32.30 H new ATOM 0 HB2 LYS A 23 2.182 2.883 19.022 1.00 14.43 H new ATOM 0 HB3 LYS A 23 1.182 1.460 19.235 1.00 14.43 H new ATOM 0 HG2 LYS A 23 4.121 1.181 18.590 1.00 74.35 H new ATOM 0 HG3 LYS A 23 3.596 1.494 20.232 1.00 74.35 H new ATOM 0 HD2 LYS A 23 2.541 -0.804 18.537 1.00 72.33 H new ATOM 0 HD3 LYS A 23 3.892 -0.958 19.643 1.00 72.33 H new ATOM 0 HE2 LYS A 23 1.461 0.287 20.817 1.00 54.41 H new ATOM 0 HE3 LYS A 23 1.260 -1.380 20.318 1.00 54.41 H new ATOM 0 HZ1 LYS A 23 2.134 -1.824 22.312 1.00 22.35 H new ATOM 0 HZ2 LYS A 23 3.631 -1.478 21.590 1.00 22.35 H new ATOM 0 HZ3 LYS A 23 2.824 -0.282 22.487 1.00 22.35 H new ATOM 342 N ALA A 24 -0.438 2.194 16.845 1.00 54.42 N ATOM 343 CA ALA A 24 -1.825 1.873 16.535 1.00 64.53 C ATOM 344 C ALA A 24 -1.976 1.428 15.084 1.00 23.33 C ATOM 345 O ALA A 24 -2.693 0.472 14.788 1.00 64.51 O ATOM 346 CB ALA A 24 -2.720 3.070 16.817 1.00 60.24 C ATOM 0 H ALA A 24 -0.261 3.185 17.010 1.00 54.42 H new ATOM 0 HA ALA A 24 -2.131 1.045 17.175 1.00 64.53 H new ATOM 0 HB1 ALA A 24 -3.753 2.815 16.581 1.00 60.24 H new ATOM 0 HB2 ALA A 24 -2.645 3.341 17.870 1.00 60.24 H new ATOM 0 HB3 ALA A 24 -2.404 3.913 16.202 1.00 60.24 H new ATOM 352 N PHE A 25 -1.294 2.126 14.183 1.00 1.51 N ATOM 353 CA PHE A 25 -1.353 1.804 12.761 1.00 62.42 C ATOM 354 C PHE A 25 -1.055 0.326 12.526 1.00 22.01 C ATOM 355 O PHE A 25 -1.815 -0.373 11.856 1.00 1.23 O ATOM 356 CB PHE A 25 -0.361 2.667 11.979 1.00 54.11 C ATOM 357 CG PHE A 25 -0.503 2.543 10.489 1.00 61.12 C ATOM 358 CD1 PHE A 25 -1.587 1.880 9.936 1.00 24.23 C ATOM 359 CD2 PHE A 25 0.448 3.088 9.642 1.00 21.33 C ATOM 360 CE1 PHE A 25 -1.720 1.764 8.566 1.00 4.42 C ATOM 361 CE2 PHE A 25 0.319 2.975 8.270 1.00 22.42 C ATOM 362 CZ PHE A 25 -0.766 2.311 7.732 1.00 33.23 C ATOM 0 H PHE A 25 -0.694 2.918 14.411 1.00 1.51 H new ATOM 0 HA PHE A 25 -2.363 2.014 12.408 1.00 62.42 H new ATOM 0 HB2 PHE A 25 -0.497 3.710 12.263 1.00 54.11 H new ATOM 0 HB3 PHE A 25 0.654 2.389 12.264 1.00 54.11 H new ATOM 0 HD1 PHE A 25 -2.336 1.449 10.584 1.00 24.23 H new ATOM 0 HD2 PHE A 25 1.299 3.607 10.058 1.00 21.33 H new ATOM 0 HE1 PHE A 25 -2.570 1.246 8.148 1.00 4.42 H new ATOM 0 HE2 PHE A 25 1.066 3.406 7.620 1.00 22.42 H new ATOM 0 HZ PHE A 25 -0.868 2.220 6.661 1.00 33.23 H new ATOM 372 N VAL A 26 0.058 -0.142 13.082 1.00 4.11 N ATOM 373 CA VAL A 26 0.458 -1.537 12.935 1.00 10.40 C ATOM 374 C VAL A 26 -0.477 -2.461 13.705 1.00 62.21 C ATOM 375 O VAL A 26 -0.679 -3.615 13.325 1.00 30.50 O ATOM 376 CB VAL A 26 1.902 -1.761 13.421 1.00 71.33 C ATOM 377 CG1 VAL A 26 1.912 -2.183 14.883 1.00 64.41 C ATOM 378 CG2 VAL A 26 2.602 -2.797 12.555 1.00 51.44 C ATOM 0 H VAL A 26 0.699 0.424 13.638 1.00 4.11 H new ATOM 0 HA VAL A 26 0.401 -1.773 11.872 1.00 10.40 H new ATOM 0 HB VAL A 26 2.447 -0.821 13.333 1.00 71.33 H new ATOM 0 HG11 VAL A 26 2.940 -2.337 15.210 1.00 64.41 H new ATOM 0 HG12 VAL A 26 1.451 -1.404 15.490 1.00 64.41 H new ATOM 0 HG13 VAL A 26 1.352 -3.111 14.998 1.00 64.41 H new ATOM 0 HG21 VAL A 26 3.621 -2.942 12.913 1.00 51.44 H new ATOM 0 HG22 VAL A 26 2.061 -3.742 12.608 1.00 51.44 H new ATOM 0 HG23 VAL A 26 2.627 -2.451 11.522 1.00 51.44 H new ATOM 388 N SER A 27 -1.046 -1.948 14.791 1.00 31.00 N ATOM 389 CA SER A 27 -1.958 -2.728 15.619 1.00 5.45 C ATOM 390 C SER A 27 -3.167 -3.189 14.810 1.00 13.33 C ATOM 391 O SER A 27 -3.816 -4.178 15.149 1.00 72.34 O ATOM 392 CB SER A 27 -2.419 -1.906 16.823 1.00 32.00 C ATOM 393 OG SER A 27 -1.747 -2.308 18.004 1.00 45.00 O ATOM 0 H SER A 27 -0.891 -0.994 15.118 1.00 31.00 H new ATOM 0 HA SER A 27 -1.423 -3.609 15.974 1.00 5.45 H new ATOM 0 HB2 SER A 27 -2.233 -0.848 16.637 1.00 32.00 H new ATOM 0 HB3 SER A 27 -3.495 -2.022 16.956 1.00 32.00 H new ATOM 0 HG SER A 27 -2.059 -1.766 18.758 1.00 45.00 H new ATOM 399 N LYS A 28 -3.463 -2.463 13.737 1.00 13.53 N ATOM 400 CA LYS A 28 -4.593 -2.795 12.877 1.00 15.23 C ATOM 401 C LYS A 28 -4.295 -4.037 12.043 1.00 12.34 C ATOM 402 O LYS A 28 -5.175 -4.569 11.365 1.00 74.13 O ATOM 403 CB LYS A 28 -4.923 -1.617 11.957 1.00 64.34 C ATOM 404 CG LYS A 28 -6.020 -0.715 12.495 1.00 33.31 C ATOM 405 CD LYS A 28 -5.697 -0.217 13.894 1.00 61.01 C ATOM 406 CE LYS A 28 -6.815 0.652 14.448 1.00 62.33 C ATOM 407 NZ LYS A 28 -7.061 1.849 13.597 1.00 62.43 N ATOM 0 H LYS A 28 -2.936 -1.641 13.442 1.00 13.53 H new ATOM 0 HA LYS A 28 -5.453 -3.004 13.513 1.00 15.23 H new ATOM 0 HB2 LYS A 28 -4.021 -1.025 11.801 1.00 64.34 H new ATOM 0 HB3 LYS A 28 -5.225 -2.001 10.983 1.00 64.34 H new ATOM 0 HG2 LYS A 28 -6.153 0.136 11.827 1.00 33.31 H new ATOM 0 HG3 LYS A 28 -6.964 -1.259 12.511 1.00 33.31 H new ATOM 0 HD2 LYS A 28 -5.534 -1.068 14.556 1.00 61.01 H new ATOM 0 HD3 LYS A 28 -4.768 0.353 13.873 1.00 61.01 H new ATOM 0 HE2 LYS A 28 -7.730 0.064 14.521 1.00 62.33 H new ATOM 0 HE3 LYS A 28 -6.560 0.971 15.459 1.00 62.33 H new ATOM 0 HZ1 LYS A 28 -7.678 2.515 14.104 1.00 62.43 H new ATOM 0 HZ2 LYS A 28 -6.156 2.313 13.380 1.00 62.43 H new ATOM 0 HZ3 LYS A 28 -7.521 1.557 12.711 1.00 62.43 H new ATOM 421 N LYS A 29 -3.049 -4.495 12.096 1.00 70.23 N ATOM 422 CA LYS A 29 -2.635 -5.677 11.348 1.00 54.11 C ATOM 423 C LYS A 29 -2.441 -6.870 12.279 1.00 11.23 C ATOM 424 O LYS A 29 -2.543 -8.021 11.856 1.00 20.23 O ATOM 425 CB LYS A 29 -1.338 -5.394 10.586 1.00 62.34 C ATOM 426 CG LYS A 29 -1.304 -4.025 9.930 1.00 73.42 C ATOM 427 CD LYS A 29 -2.516 -3.802 9.043 1.00 2.55 C ATOM 428 CE LYS A 29 -2.582 -4.828 7.921 1.00 12.45 C ATOM 429 NZ LYS A 29 -3.764 -4.612 7.041 1.00 12.31 N ATOM 0 H LYS A 29 -2.308 -4.066 12.649 1.00 70.23 H new ATOM 0 HA LYS A 29 -3.423 -5.920 10.635 1.00 54.11 H new ATOM 0 HB2 LYS A 29 -0.497 -5.479 11.274 1.00 62.34 H new ATOM 0 HB3 LYS A 29 -1.202 -6.158 9.820 1.00 62.34 H new ATOM 0 HG2 LYS A 29 -1.268 -3.253 10.699 1.00 73.42 H new ATOM 0 HG3 LYS A 29 -0.395 -3.927 9.337 1.00 73.42 H new ATOM 0 HD2 LYS A 29 -3.424 -3.860 9.644 1.00 2.55 H new ATOM 0 HD3 LYS A 29 -2.478 -2.799 8.618 1.00 2.55 H new ATOM 0 HE2 LYS A 29 -1.671 -4.774 7.325 1.00 12.45 H new ATOM 0 HE3 LYS A 29 -2.625 -5.830 8.347 1.00 12.45 H new ATOM 0 HZ1 LYS A 29 -3.773 -5.331 6.289 1.00 12.31 H new ATOM 0 HZ2 LYS A 29 -4.635 -4.689 7.604 1.00 12.31 H new ATOM 0 HZ3 LYS A 29 -3.710 -3.665 6.614 1.00 12.31 H new ATOM 443 N ARG A 30 -2.163 -6.586 13.547 1.00 43.25 N ATOM 444 CA ARG A 30 -1.956 -7.636 14.537 1.00 34.24 C ATOM 445 C ARG A 30 -1.754 -7.041 15.927 1.00 52.12 C ATOM 446 O ARG A 30 -1.893 -5.833 16.122 1.00 62.32 O ATOM 447 CB ARG A 30 -0.747 -8.493 14.157 1.00 41.21 C ATOM 448 CG ARG A 30 0.517 -7.686 13.905 1.00 64.14 C ATOM 449 CD ARG A 30 1.209 -8.121 12.624 1.00 2.03 C ATOM 450 NE ARG A 30 1.329 -9.574 12.533 1.00 54.24 N ATOM 451 CZ ARG A 30 1.590 -10.220 11.402 1.00 34.10 C ATOM 452 NH1 ARG A 30 1.759 -9.545 10.273 1.00 22.31 N ATOM 453 NH2 ARG A 30 1.684 -11.544 11.399 1.00 1.10 N ATOM 0 H ARG A 30 -2.076 -5.638 13.913 1.00 43.25 H new ATOM 0 HA ARG A 30 -2.847 -8.264 14.556 1.00 34.24 H new ATOM 0 HB2 ARG A 30 -0.556 -9.211 14.954 1.00 41.21 H new ATOM 0 HB3 ARG A 30 -0.986 -9.067 13.262 1.00 41.21 H new ATOM 0 HG2 ARG A 30 0.267 -6.627 13.843 1.00 64.14 H new ATOM 0 HG3 ARG A 30 1.199 -7.804 14.747 1.00 64.14 H new ATOM 0 HD2 ARG A 30 0.650 -7.749 11.766 1.00 2.03 H new ATOM 0 HD3 ARG A 30 2.201 -7.672 12.577 1.00 2.03 H new ATOM 0 HE ARG A 30 1.206 -10.122 13.384 1.00 54.24 H new ATOM 0 HH11 ARG A 30 1.689 -8.527 10.272 1.00 22.31 H new ATOM 0 HH12 ARG A 30 1.959 -10.043 9.406 1.00 22.31 H new ATOM 0 HH21 ARG A 30 1.556 -12.066 12.266 1.00 1.10 H new ATOM 0 HH22 ARG A 30 1.884 -12.039 10.530 1.00 1.10 H new ATOM 467 N ALA A 31 -1.427 -7.896 16.890 1.00 61.14 N ATOM 468 CA ALA A 31 -1.204 -7.454 18.261 1.00 43.33 C ATOM 469 C ALA A 31 0.247 -7.666 18.678 1.00 70.51 C ATOM 470 O ALA A 31 0.625 -8.754 19.116 1.00 52.40 O ATOM 471 CB ALA A 31 -2.141 -8.189 19.210 1.00 31.53 C ATOM 0 H ALA A 31 -1.311 -8.899 16.746 1.00 61.14 H new ATOM 0 HA ALA A 31 -1.416 -6.386 18.312 1.00 43.33 H new ATOM 0 HB1 ALA A 31 -1.964 -7.850 20.231 1.00 31.53 H new ATOM 0 HB2 ALA A 31 -3.175 -7.983 18.933 1.00 31.53 H new ATOM 0 HB3 ALA A 31 -1.955 -9.261 19.147 1.00 31.53 H new ATOM 477 N ILE A 32 1.056 -6.621 18.539 1.00 10.22 N ATOM 478 CA ILE A 32 2.466 -6.693 18.901 1.00 45.51 C ATOM 479 C ILE A 32 2.883 -5.484 19.729 1.00 32.43 C ATOM 480 O ILE A 32 3.101 -4.396 19.195 1.00 13.04 O ATOM 481 CB ILE A 32 3.364 -6.782 17.653 1.00 2.04 C ATOM 482 CG1 ILE A 32 2.955 -5.723 16.628 1.00 42.43 C ATOM 483 CG2 ILE A 32 3.289 -8.174 17.044 1.00 25.33 C ATOM 484 CD1 ILE A 32 4.127 -4.988 16.017 1.00 32.51 C ATOM 0 H ILE A 32 0.759 -5.714 18.178 1.00 10.22 H new ATOM 0 HA ILE A 32 2.593 -7.598 19.495 1.00 45.51 H new ATOM 0 HB ILE A 32 4.395 -6.593 17.951 1.00 2.04 H new ATOM 0 HG12 ILE A 32 2.382 -6.201 15.833 1.00 42.43 H new ATOM 0 HG13 ILE A 32 2.294 -5.001 17.108 1.00 42.43 H new ATOM 0 HG21 ILE A 32 3.929 -8.221 16.163 1.00 25.33 H new ATOM 0 HG22 ILE A 32 3.624 -8.910 17.775 1.00 25.33 H new ATOM 0 HG23 ILE A 32 2.260 -8.391 16.757 1.00 25.33 H new ATOM 0 HD11 ILE A 32 3.762 -4.253 15.300 1.00 32.51 H new ATOM 0 HD12 ILE A 32 4.688 -4.481 16.802 1.00 32.51 H new ATOM 0 HD13 ILE A 32 4.777 -5.699 15.508 1.00 32.51 H new ATOM 496 N LYS A 33 2.995 -5.680 21.039 1.00 11.11 N ATOM 497 CA LYS A 33 3.390 -4.607 21.943 1.00 71.40 C ATOM 498 C LYS A 33 4.908 -4.469 21.995 1.00 63.21 C ATOM 499 O LYS A 33 5.593 -5.279 22.620 1.00 74.24 O ATOM 500 CB LYS A 33 2.843 -4.868 23.348 1.00 63.35 C ATOM 501 CG LYS A 33 3.186 -6.245 23.888 1.00 10.10 C ATOM 502 CD LYS A 33 3.868 -6.159 25.243 1.00 55.23 C ATOM 503 CE LYS A 33 3.354 -7.228 26.195 1.00 52.25 C ATOM 504 NZ LYS A 33 3.582 -6.859 27.620 1.00 33.11 N ATOM 0 H LYS A 33 2.817 -6.573 21.498 1.00 11.11 H new ATOM 0 HA LYS A 33 2.971 -3.675 21.564 1.00 71.40 H new ATOM 0 HB2 LYS A 33 3.236 -4.112 24.028 1.00 63.35 H new ATOM 0 HB3 LYS A 33 1.759 -4.752 23.334 1.00 63.35 H new ATOM 0 HG2 LYS A 33 2.277 -6.840 23.975 1.00 10.10 H new ATOM 0 HG3 LYS A 33 3.838 -6.761 23.183 1.00 10.10 H new ATOM 0 HD2 LYS A 33 4.945 -6.270 25.117 1.00 55.23 H new ATOM 0 HD3 LYS A 33 3.698 -5.173 25.675 1.00 55.23 H new ATOM 0 HE2 LYS A 33 2.288 -7.383 26.026 1.00 52.25 H new ATOM 0 HE3 LYS A 33 3.851 -8.174 25.981 1.00 52.25 H new ATOM 0 HZ1 LYS A 33 3.218 -7.613 28.236 1.00 33.11 H new ATOM 0 HZ2 LYS A 33 4.601 -6.736 27.788 1.00 33.11 H new ATOM 0 HZ3 LYS A 33 3.087 -5.969 27.832 1.00 33.11 H new ATOM 518 N ASN A 34 5.428 -3.440 21.335 1.00 1.43 N ATOM 519 CA ASN A 34 6.866 -3.197 21.307 1.00 55.55 C ATOM 520 C ASN A 34 7.191 -1.797 21.821 1.00 3.55 C ATOM 521 O ASN A 34 7.040 -0.812 21.100 1.00 34.33 O ATOM 522 CB ASN A 34 7.406 -3.368 19.885 1.00 64.25 C ATOM 523 CG ASN A 34 7.255 -4.790 19.378 1.00 14.43 C ATOM 524 OD1 ASN A 34 6.213 -5.160 18.836 1.00 62.11 O ATOM 525 ND2 ASN A 34 8.298 -5.594 19.553 1.00 51.42 N ATOM 0 H ASN A 34 4.875 -2.761 20.812 1.00 1.43 H new ATOM 0 HA ASN A 34 7.345 -3.926 21.961 1.00 55.55 H new ATOM 0 HB2 ASN A 34 6.880 -2.688 19.215 1.00 64.25 H new ATOM 0 HB3 ASN A 34 8.459 -3.087 19.862 1.00 64.25 H new ATOM 0 HD21 ASN A 34 8.256 -6.562 19.233 1.00 51.42 H new ATOM 0 HD22 ASN A 34 9.141 -5.244 20.008 1.00 51.42 H new ATOM 532 N GLU A 35 7.638 -1.720 23.070 1.00 45.23 N ATOM 533 CA GLU A 35 7.984 -0.442 23.680 1.00 40.41 C ATOM 534 C GLU A 35 9.312 0.078 23.136 1.00 73.04 C ATOM 535 O GLU A 35 9.453 1.265 22.843 1.00 44.25 O ATOM 536 CB GLU A 35 8.062 -0.581 25.201 1.00 62.42 C ATOM 537 CG GLU A 35 7.277 0.482 25.951 1.00 11.21 C ATOM 538 CD GLU A 35 7.458 1.866 25.360 1.00 72.22 C ATOM 539 OE1 GLU A 35 8.609 2.350 25.323 1.00 13.33 O ATOM 540 OE2 GLU A 35 6.449 2.466 24.935 1.00 11.32 O ATOM 0 H GLU A 35 7.769 -2.527 23.679 1.00 45.23 H new ATOM 0 HA GLU A 35 7.202 0.275 23.429 1.00 40.41 H new ATOM 0 HB2 GLU A 35 7.690 -1.565 25.487 1.00 62.42 H new ATOM 0 HB3 GLU A 35 9.107 -0.534 25.509 1.00 62.42 H new ATOM 0 HG2 GLU A 35 6.219 0.222 25.940 1.00 11.21 H new ATOM 0 HG3 GLU A 35 7.592 0.493 26.994 1.00 11.21 H new ATOM 547 N GLN A 36 10.284 -0.820 23.006 1.00 41.31 N ATOM 548 CA GLN A 36 11.600 -0.452 22.500 1.00 0.23 C ATOM 549 C GLN A 36 11.548 -0.168 21.002 1.00 65.31 C ATOM 550 O GLN A 36 12.046 0.857 20.537 1.00 10.21 O ATOM 551 CB GLN A 36 12.609 -1.566 22.785 1.00 73.31 C ATOM 552 CG GLN A 36 13.910 -1.421 22.012 1.00 3.43 C ATOM 553 CD GLN A 36 15.132 -1.637 22.881 1.00 31.44 C ATOM 554 OE1 GLN A 36 15.963 -0.742 23.039 1.00 12.21 O ATOM 555 NE2 GLN A 36 15.251 -2.830 23.451 1.00 24.42 N ATOM 0 H GLN A 36 10.184 -1.807 23.244 1.00 41.31 H new ATOM 0 HA GLN A 36 11.917 0.456 23.012 1.00 0.23 H new ATOM 0 HB2 GLN A 36 12.830 -1.580 23.852 1.00 73.31 H new ATOM 0 HB3 GLN A 36 12.156 -2.527 22.540 1.00 73.31 H new ATOM 0 HG2 GLN A 36 13.922 -2.137 21.191 1.00 3.43 H new ATOM 0 HG3 GLN A 36 13.956 -0.426 21.568 1.00 3.43 H new ATOM 0 HE21 GLN A 36 14.539 -3.544 23.294 1.00 24.42 H new ATOM 0 HE22 GLN A 36 16.054 -3.033 24.046 1.00 24.42 H new ATOM 564 N LEU A 37 10.942 -1.083 20.253 1.00 31.34 N ATOM 565 CA LEU A 37 10.826 -0.931 18.806 1.00 61.44 C ATOM 566 C LEU A 37 10.038 0.326 18.453 1.00 32.22 C ATOM 567 O LEU A 37 10.369 1.031 17.498 1.00 40.21 O ATOM 568 CB LEU A 37 10.147 -2.159 18.199 1.00 40.52 C ATOM 569 CG LEU A 37 10.434 -2.424 16.721 1.00 33.14 C ATOM 570 CD1 LEU A 37 11.777 -3.120 16.555 1.00 73.15 C ATOM 571 CD2 LEU A 37 9.322 -3.254 16.100 1.00 44.30 C ATOM 0 H LEU A 37 10.524 -1.937 20.623 1.00 31.34 H new ATOM 0 HA LEU A 37 11.830 -0.836 18.393 1.00 61.44 H new ATOM 0 HB2 LEU A 37 10.450 -3.036 18.770 1.00 40.52 H new ATOM 0 HB3 LEU A 37 9.070 -2.053 18.326 1.00 40.52 H new ATOM 0 HG LEU A 37 10.476 -1.466 16.203 1.00 33.14 H new ATOM 0 HD11 LEU A 37 11.965 -3.301 15.497 1.00 73.15 H new ATOM 0 HD12 LEU A 37 12.567 -2.488 16.961 1.00 73.15 H new ATOM 0 HD13 LEU A 37 11.763 -4.070 17.088 1.00 73.15 H new ATOM 0 HD21 LEU A 37 9.545 -3.432 15.048 1.00 44.30 H new ATOM 0 HD22 LEU A 37 9.246 -4.208 16.621 1.00 44.30 H new ATOM 0 HD23 LEU A 37 8.377 -2.718 16.185 1.00 44.30 H new ATOM 583 N LEU A 38 8.997 0.604 19.229 1.00 62.24 N ATOM 584 CA LEU A 38 8.164 1.779 19.000 1.00 54.54 C ATOM 585 C LEU A 38 8.971 3.062 19.173 1.00 5.52 C ATOM 586 O LEU A 38 8.907 3.963 18.337 1.00 11.41 O ATOM 587 CB LEU A 38 6.973 1.779 19.960 1.00 40.23 C ATOM 588 CG LEU A 38 6.070 3.013 19.911 1.00 3.12 C ATOM 589 CD1 LEU A 38 6.634 4.123 20.784 1.00 42.02 C ATOM 590 CD2 LEU A 38 5.903 3.493 18.476 1.00 60.51 C ATOM 0 H LEU A 38 8.709 0.032 20.023 1.00 62.24 H new ATOM 0 HA LEU A 38 7.797 1.739 17.975 1.00 54.54 H new ATOM 0 HB2 LEU A 38 6.364 0.899 19.751 1.00 40.23 H new ATOM 0 HB3 LEU A 38 7.351 1.671 20.976 1.00 40.23 H new ATOM 0 HG LEU A 38 5.089 2.738 20.299 1.00 3.12 H new ATOM 0 HD11 LEU A 38 5.978 4.992 20.736 1.00 42.02 H new ATOM 0 HD12 LEU A 38 6.702 3.776 21.815 1.00 42.02 H new ATOM 0 HD13 LEU A 38 7.627 4.398 20.427 1.00 42.02 H new ATOM 0 HD21 LEU A 38 5.258 4.371 18.459 1.00 60.51 H new ATOM 0 HD22 LEU A 38 6.878 3.751 18.063 1.00 60.51 H new ATOM 0 HD23 LEU A 38 5.453 2.701 17.877 1.00 60.51 H new ATOM 602 N GLN A 39 9.729 3.135 20.261 1.00 34.23 N ATOM 603 CA GLN A 39 10.550 4.307 20.541 1.00 34.30 C ATOM 604 C GLN A 39 11.613 4.498 19.464 1.00 22.32 C ATOM 605 O GLN A 39 11.747 5.582 18.895 1.00 54.23 O ATOM 606 CB GLN A 39 11.216 4.174 21.912 1.00 65.50 C ATOM 607 CG GLN A 39 10.834 5.278 22.884 1.00 70.42 C ATOM 608 CD GLN A 39 11.911 6.337 23.018 1.00 42.41 C ATOM 609 OE1 GLN A 39 12.813 6.220 23.846 1.00 62.44 O ATOM 610 NE2 GLN A 39 11.822 7.378 22.199 1.00 10.24 N ATOM 0 H GLN A 39 9.792 2.398 20.963 1.00 34.23 H new ATOM 0 HA GLN A 39 9.900 5.182 20.543 1.00 34.30 H new ATOM 0 HB2 GLN A 39 10.947 3.211 22.345 1.00 65.50 H new ATOM 0 HB3 GLN A 39 12.298 4.174 21.782 1.00 65.50 H new ATOM 0 HG2 GLN A 39 9.909 5.747 22.550 1.00 70.42 H new ATOM 0 HG3 GLN A 39 10.635 4.842 23.863 1.00 70.42 H new ATOM 0 HE21 GLN A 39 11.057 7.434 21.527 1.00 10.24 H new ATOM 0 HE22 GLN A 39 12.519 8.121 22.242 1.00 10.24 H new ATOM 619 N LEU A 40 12.367 3.439 19.190 1.00 42.50 N ATOM 620 CA LEU A 40 13.418 3.490 18.179 1.00 33.33 C ATOM 621 C LEU A 40 12.838 3.804 16.804 1.00 74.01 C ATOM 622 O LEU A 40 13.294 4.723 16.123 1.00 13.31 O ATOM 623 CB LEU A 40 14.175 2.161 18.135 1.00 35.42 C ATOM 624 CG LEU A 40 15.689 2.257 17.943 1.00 22.10 C ATOM 625 CD1 LEU A 40 16.300 0.870 17.814 1.00 73.25 C ATOM 626 CD2 LEU A 40 16.019 3.103 16.722 1.00 21.50 C ATOM 0 H LEU A 40 12.271 2.535 19.653 1.00 42.50 H new ATOM 0 HA LEU A 40 14.110 4.287 18.450 1.00 33.33 H new ATOM 0 HB2 LEU A 40 13.980 1.624 19.063 1.00 35.42 H new ATOM 0 HB3 LEU A 40 13.764 1.558 17.325 1.00 35.42 H new ATOM 0 HG LEU A 40 16.117 2.740 18.821 1.00 22.10 H new ATOM 0 HD11 LEU A 40 17.378 0.958 17.678 1.00 73.25 H new ATOM 0 HD12 LEU A 40 16.094 0.296 18.718 1.00 73.25 H new ATOM 0 HD13 LEU A 40 15.866 0.360 16.954 1.00 73.25 H new ATOM 0 HD21 LEU A 40 17.101 3.160 16.601 1.00 21.50 H new ATOM 0 HD22 LEU A 40 15.578 2.649 15.835 1.00 21.50 H new ATOM 0 HD23 LEU A 40 15.615 4.107 16.855 1.00 21.50 H new ATOM 638 N ILE A 41 11.831 3.037 16.404 1.00 43.12 N ATOM 639 CA ILE A 41 11.186 3.235 15.111 1.00 61.21 C ATOM 640 C ILE A 41 10.560 4.623 15.017 1.00 64.14 C ATOM 641 O ILE A 41 10.533 5.232 13.947 1.00 64.34 O ATOM 642 CB ILE A 41 10.099 2.175 14.856 1.00 44.35 C ATOM 643 CG1 ILE A 41 10.735 0.799 14.650 1.00 63.21 C ATOM 644 CG2 ILE A 41 9.256 2.561 13.649 1.00 21.25 C ATOM 645 CD1 ILE A 41 11.584 0.707 13.402 1.00 3.42 C ATOM 0 H ILE A 41 11.443 2.272 16.956 1.00 43.12 H new ATOM 0 HA ILE A 41 11.962 3.136 14.352 1.00 61.21 H new ATOM 0 HB ILE A 41 9.448 2.126 15.729 1.00 44.35 H new ATOM 0 HG12 ILE A 41 11.350 0.559 15.517 1.00 63.21 H new ATOM 0 HG13 ILE A 41 9.947 0.047 14.600 1.00 63.21 H new ATOM 0 HG21 ILE A 41 8.492 1.802 13.481 1.00 21.25 H new ATOM 0 HG22 ILE A 41 8.778 3.523 13.832 1.00 21.25 H new ATOM 0 HG23 ILE A 41 9.894 2.635 12.768 1.00 21.25 H new ATOM 0 HD11 ILE A 41 12.003 -0.296 13.320 1.00 3.42 H new ATOM 0 HD12 ILE A 41 10.968 0.916 12.527 1.00 3.42 H new ATOM 0 HD13 ILE A 41 12.393 1.435 13.458 1.00 3.42 H new ATOM 657 N PHE A 42 10.059 5.117 16.143 1.00 61.25 N ATOM 658 CA PHE A 42 9.434 6.433 16.188 1.00 75.15 C ATOM 659 C PHE A 42 10.416 7.518 15.754 1.00 31.01 C ATOM 660 O PHE A 42 10.112 8.336 14.886 1.00 20.13 O ATOM 661 CB PHE A 42 8.921 6.730 17.599 1.00 74.43 C ATOM 662 CG PHE A 42 8.500 8.159 17.796 1.00 44.01 C ATOM 663 CD1 PHE A 42 7.379 8.660 17.155 1.00 22.03 C ATOM 664 CD2 PHE A 42 9.227 9.001 18.623 1.00 45.33 C ATOM 665 CE1 PHE A 42 6.990 9.974 17.334 1.00 2.30 C ATOM 666 CE2 PHE A 42 8.842 10.315 18.808 1.00 10.55 C ATOM 667 CZ PHE A 42 7.723 10.803 18.161 1.00 12.12 C ATOM 0 H PHE A 42 10.073 4.626 17.037 1.00 61.25 H new ATOM 0 HA PHE A 42 8.593 6.431 15.495 1.00 75.15 H new ATOM 0 HB2 PHE A 42 8.075 6.077 17.814 1.00 74.43 H new ATOM 0 HB3 PHE A 42 9.702 6.487 18.319 1.00 74.43 H new ATOM 0 HD1 PHE A 42 6.802 8.016 16.508 1.00 22.03 H new ATOM 0 HD2 PHE A 42 10.104 8.626 19.129 1.00 45.33 H new ATOM 0 HE1 PHE A 42 6.114 10.352 16.828 1.00 2.30 H new ATOM 0 HE2 PHE A 42 9.415 10.960 19.458 1.00 10.55 H new ATOM 0 HZ PHE A 42 7.422 11.831 18.302 1.00 12.12 H new ATOM 677 N LYS A 43 11.596 7.517 16.365 1.00 20.21 N ATOM 678 CA LYS A 43 12.625 8.499 16.043 1.00 72.03 C ATOM 679 C LYS A 43 13.236 8.217 14.674 1.00 54.01 C ATOM 680 O LYS A 43 13.683 9.133 13.983 1.00 71.35 O ATOM 681 CB LYS A 43 13.720 8.491 17.113 1.00 41.34 C ATOM 682 CG LYS A 43 14.180 9.878 17.522 1.00 75.44 C ATOM 683 CD LYS A 43 15.674 9.912 17.796 1.00 73.32 C ATOM 684 CE LYS A 43 16.291 11.231 17.358 1.00 14.34 C ATOM 685 NZ LYS A 43 16.292 11.378 15.876 1.00 53.03 N ATOM 0 H LYS A 43 11.864 6.847 17.086 1.00 20.21 H new ATOM 0 HA LYS A 43 12.157 9.483 16.018 1.00 72.03 H new ATOM 0 HB2 LYS A 43 13.352 7.965 17.994 1.00 41.34 H new ATOM 0 HB3 LYS A 43 14.576 7.928 16.741 1.00 41.34 H new ATOM 0 HG2 LYS A 43 13.938 10.590 16.733 1.00 75.44 H new ATOM 0 HG3 LYS A 43 13.638 10.194 18.414 1.00 75.44 H new ATOM 0 HD2 LYS A 43 15.853 9.761 18.860 1.00 73.32 H new ATOM 0 HD3 LYS A 43 16.160 9.090 17.271 1.00 73.32 H new ATOM 0 HE2 LYS A 43 15.737 12.057 17.804 1.00 14.34 H new ATOM 0 HE3 LYS A 43 17.314 11.295 17.730 1.00 14.34 H new ATOM 0 HZ1 LYS A 43 17.020 12.066 15.596 1.00 53.03 H new ATOM 0 HZ2 LYS A 43 16.497 10.458 15.436 1.00 53.03 H new ATOM 0 HZ3 LYS A 43 15.359 11.712 15.560 1.00 53.03 H new ATOM 699 N SER A 44 13.250 6.945 14.287 1.00 33.41 N ATOM 700 CA SER A 44 13.808 6.544 13.002 1.00 0.21 C ATOM 701 C SER A 44 12.932 7.033 11.852 1.00 62.51 C ATOM 702 O SER A 44 13.419 7.657 10.909 1.00 33.11 O ATOM 703 CB SER A 44 13.950 5.022 12.937 1.00 21.32 C ATOM 704 OG SER A 44 15.259 4.616 13.301 1.00 12.10 O ATOM 0 H SER A 44 12.881 6.175 14.845 1.00 33.41 H new ATOM 0 HA SER A 44 14.794 6.999 12.904 1.00 0.21 H new ATOM 0 HB2 SER A 44 13.223 4.557 13.603 1.00 21.32 H new ATOM 0 HB3 SER A 44 13.726 4.675 11.928 1.00 21.32 H new ATOM 0 HG SER A 44 15.324 3.639 13.253 1.00 12.10 H new ATOM 710 N ILE A 45 11.638 6.744 11.939 1.00 74.11 N ATOM 711 CA ILE A 45 10.693 7.155 10.908 1.00 34.03 C ATOM 712 C ILE A 45 10.546 8.673 10.870 1.00 63.11 C ATOM 713 O ILE A 45 10.473 9.274 9.798 1.00 33.21 O ATOM 714 CB ILE A 45 9.307 6.522 11.128 1.00 64.31 C ATOM 715 CG1 ILE A 45 9.401 4.997 11.048 1.00 50.31 C ATOM 716 CG2 ILE A 45 8.314 7.052 10.107 1.00 50.51 C ATOM 717 CD1 ILE A 45 8.080 4.297 11.279 1.00 74.13 C ATOM 0 H ILE A 45 11.220 6.227 12.713 1.00 74.11 H new ATOM 0 HA ILE A 45 11.095 6.807 9.956 1.00 34.03 H new ATOM 0 HB ILE A 45 8.953 6.794 12.123 1.00 64.31 H new ATOM 0 HG12 ILE A 45 9.785 4.716 10.068 1.00 50.31 H new ATOM 0 HG13 ILE A 45 10.123 4.646 11.786 1.00 50.31 H new ATOM 0 HG21 ILE A 45 7.339 6.595 10.276 1.00 50.51 H new ATOM 0 HG22 ILE A 45 8.230 8.134 10.209 1.00 50.51 H new ATOM 0 HG23 ILE A 45 8.660 6.808 9.103 1.00 50.51 H new ATOM 0 HD11 ILE A 45 8.222 3.219 11.208 1.00 74.13 H new ATOM 0 HD12 ILE A 45 7.703 4.548 12.271 1.00 74.13 H new ATOM 0 HD13 ILE A 45 7.361 4.619 10.526 1.00 74.13 H new ATOM 729 N ASP A 46 10.505 9.287 12.048 1.00 44.10 N ATOM 730 CA ASP A 46 10.369 10.735 12.151 1.00 31.22 C ATOM 731 C ASP A 46 11.674 11.431 11.777 1.00 40.02 C ATOM 732 O ASP A 46 12.712 11.196 12.393 1.00 33.50 O ATOM 733 CB ASP A 46 9.954 11.130 13.569 1.00 50.33 C ATOM 734 CG ASP A 46 9.120 12.396 13.597 1.00 12.32 C ATOM 735 OD1 ASP A 46 9.248 13.212 12.659 1.00 43.21 O ATOM 736 OD2 ASP A 46 8.339 12.570 14.555 1.00 53.05 O ATOM 0 H ASP A 46 10.564 8.804 12.945 1.00 44.10 H new ATOM 0 HA ASP A 46 9.595 11.053 11.453 1.00 31.22 H new ATOM 0 HB2 ASP A 46 9.387 10.315 14.019 1.00 50.33 H new ATOM 0 HB3 ASP A 46 10.846 11.272 14.179 1.00 50.33 H new ATOM 741 N ALA A 47 11.612 12.288 10.762 1.00 61.41 N ATOM 742 CA ALA A 47 12.789 13.018 10.308 1.00 53.52 C ATOM 743 C ALA A 47 13.306 13.957 11.393 1.00 3.33 C ATOM 744 O ALA A 47 14.513 14.059 11.614 1.00 54.22 O ATOM 745 CB ALA A 47 12.468 13.798 9.041 1.00 23.11 C ATOM 0 H ALA A 47 10.760 12.493 10.240 1.00 61.41 H new ATOM 0 HA ALA A 47 13.573 12.294 10.088 1.00 53.52 H new ATOM 0 HB1 ALA A 47 13.355 14.339 8.712 1.00 23.11 H new ATOM 0 HB2 ALA A 47 12.153 13.107 8.259 1.00 23.11 H new ATOM 0 HB3 ALA A 47 11.665 14.507 9.244 1.00 23.11 H new ATOM 751 N ASP A 48 12.386 14.641 12.064 1.00 24.33 N ATOM 752 CA ASP A 48 12.750 15.570 13.126 1.00 35.30 C ATOM 753 C ASP A 48 12.368 15.011 14.493 1.00 31.42 C ATOM 754 O ASP A 48 12.845 15.485 15.525 1.00 52.30 O ATOM 755 CB ASP A 48 12.066 16.921 12.906 1.00 34.42 C ATOM 756 CG ASP A 48 10.558 16.800 12.821 1.00 31.11 C ATOM 757 OD1 ASP A 48 10.046 15.668 12.948 1.00 61.21 O ATOM 758 OD2 ASP A 48 9.889 17.836 12.626 1.00 52.45 O ATOM 0 H ASP A 48 11.383 14.569 11.891 1.00 24.33 H new ATOM 0 HA ASP A 48 13.831 15.708 13.099 1.00 35.30 H new ATOM 0 HB2 ASP A 48 12.328 17.595 13.722 1.00 34.42 H new ATOM 0 HB3 ASP A 48 12.444 17.371 11.988 1.00 34.42 H new ATOM 763 N GLY A 49 11.506 13.999 14.494 1.00 43.11 N ATOM 764 CA GLY A 49 11.074 13.392 15.739 1.00 33.34 C ATOM 765 C GLY A 49 10.416 14.388 16.672 1.00 51.32 C ATOM 766 O GLY A 49 10.530 14.276 17.892 1.00 13.11 O ATOM 0 H GLY A 49 11.099 13.588 13.654 1.00 43.11 H new ATOM 0 HA2 GLY A 49 10.374 12.585 15.522 1.00 33.34 H new ATOM 0 HA3 GLY A 49 11.933 12.944 16.238 1.00 33.34 H new ATOM 770 N ASN A 50 9.725 15.367 16.096 1.00 71.23 N ATOM 771 CA ASN A 50 9.046 16.389 16.886 1.00 55.22 C ATOM 772 C ASN A 50 7.662 15.914 17.318 1.00 2.42 C ATOM 773 O ASN A 50 6.653 16.276 16.714 1.00 21.41 O ATOM 774 CB ASN A 50 8.925 17.686 16.082 1.00 44.33 C ATOM 775 CG ASN A 50 8.167 17.491 14.783 1.00 53.12 C ATOM 776 OD1 ASN A 50 7.964 16.364 14.332 1.00 42.35 O ATOM 777 ND2 ASN A 50 7.745 18.594 14.174 1.00 4.24 N ATOM 0 H ASN A 50 9.620 15.474 15.087 1.00 71.23 H new ATOM 0 HA ASN A 50 9.641 16.577 17.780 1.00 55.22 H new ATOM 0 HB2 ASN A 50 8.418 18.439 16.686 1.00 44.33 H new ATOM 0 HB3 ASN A 50 9.922 18.070 15.864 1.00 44.33 H new ATOM 0 HD21 ASN A 50 7.230 18.527 13.296 1.00 4.24 H new ATOM 0 HD22 ASN A 50 7.936 19.508 14.584 1.00 4.24 H new ATOM 784 N GLY A 51 7.623 15.099 18.368 1.00 11.04 N ATOM 785 CA GLY A 51 6.359 14.587 18.863 1.00 32.42 C ATOM 786 C GLY A 51 5.715 13.605 17.904 1.00 61.41 C ATOM 787 O GLY A 51 5.239 12.548 18.317 1.00 31.23 O ATOM 0 H GLY A 51 8.444 14.784 18.884 1.00 11.04 H new ATOM 0 HA2 GLY A 51 6.520 14.099 19.824 1.00 32.42 H new ATOM 0 HA3 GLY A 51 5.677 15.419 19.038 1.00 32.42 H new ATOM 791 N GLU A 52 5.700 13.956 16.623 1.00 3.15 N ATOM 792 CA GLU A 52 5.107 13.096 15.604 1.00 34.54 C ATOM 793 C GLU A 52 5.763 13.331 14.246 1.00 24.11 C ATOM 794 O GLU A 52 6.470 14.320 14.048 1.00 70.25 O ATOM 795 CB GLU A 52 3.601 13.350 15.505 1.00 33.21 C ATOM 796 CG GLU A 52 3.231 14.824 15.504 1.00 63.32 C ATOM 797 CD GLU A 52 4.036 15.627 14.503 1.00 40.42 C ATOM 798 OE1 GLU A 52 3.994 15.290 13.300 1.00 53.04 O ATOM 799 OE2 GLU A 52 4.707 16.594 14.921 1.00 0.32 O ATOM 0 H GLU A 52 6.091 14.828 16.265 1.00 3.15 H new ATOM 0 HA GLU A 52 5.276 12.059 15.896 1.00 34.54 H new ATOM 0 HB2 GLU A 52 3.222 12.888 14.593 1.00 33.21 H new ATOM 0 HB3 GLU A 52 3.103 12.860 16.341 1.00 33.21 H new ATOM 0 HG2 GLU A 52 2.170 14.928 15.278 1.00 63.32 H new ATOM 0 HG3 GLU A 52 3.386 15.234 16.502 1.00 63.32 H new ATOM 806 N ILE A 53 5.525 12.413 13.315 1.00 33.02 N ATOM 807 CA ILE A 53 6.093 12.519 11.976 1.00 53.03 C ATOM 808 C ILE A 53 5.116 13.191 11.017 1.00 74.13 C ATOM 809 O ILE A 53 3.984 12.737 10.849 1.00 13.24 O ATOM 810 CB ILE A 53 6.476 11.137 11.416 1.00 74.11 C ATOM 811 CG1 ILE A 53 7.076 10.264 12.520 1.00 10.44 C ATOM 812 CG2 ILE A 53 7.453 11.286 10.260 1.00 74.41 C ATOM 813 CD1 ILE A 53 6.161 9.147 12.971 1.00 30.30 C ATOM 0 H ILE A 53 4.943 11.588 13.463 1.00 33.02 H new ATOM 0 HA ILE A 53 6.992 13.129 12.062 1.00 53.03 H new ATOM 0 HB ILE A 53 5.575 10.650 11.043 1.00 74.11 H new ATOM 0 HG12 ILE A 53 8.012 9.834 12.164 1.00 10.44 H new ATOM 0 HG13 ILE A 53 7.319 10.892 13.377 1.00 10.44 H new ATOM 0 HG21 ILE A 53 7.714 10.300 9.875 1.00 74.41 H new ATOM 0 HG22 ILE A 53 6.992 11.875 9.467 1.00 74.41 H new ATOM 0 HG23 ILE A 53 8.355 11.790 10.608 1.00 74.41 H new ATOM 0 HD11 ILE A 53 6.651 8.569 13.755 1.00 30.30 H new ATOM 0 HD12 ILE A 53 5.234 9.570 13.358 1.00 30.30 H new ATOM 0 HD13 ILE A 53 5.938 8.496 12.126 1.00 30.30 H new ATOM 825 N ASP A 54 5.562 14.274 10.390 1.00 14.21 N ATOM 826 CA ASP A 54 4.728 15.009 9.445 1.00 24.14 C ATOM 827 C ASP A 54 4.644 14.273 8.110 1.00 73.43 C ATOM 828 O ASP A 54 5.495 13.444 7.794 1.00 20.13 O ATOM 829 CB ASP A 54 5.282 16.418 9.230 1.00 63.53 C ATOM 830 CG ASP A 54 5.805 17.035 10.513 1.00 23.44 C ATOM 831 OD1 ASP A 54 5.269 16.707 11.592 1.00 21.42 O ATOM 832 OD2 ASP A 54 6.752 17.846 10.437 1.00 63.14 O ATOM 0 H ASP A 54 6.496 14.663 10.519 1.00 14.21 H new ATOM 0 HA ASP A 54 3.725 15.083 9.864 1.00 24.14 H new ATOM 0 HB2 ASP A 54 6.085 16.381 8.494 1.00 63.53 H new ATOM 0 HB3 ASP A 54 4.499 17.054 8.817 1.00 63.53 H new ATOM 837 N GLN A 55 3.610 14.583 7.335 1.00 50.31 N ATOM 838 CA GLN A 55 3.414 13.951 6.036 1.00 11.32 C ATOM 839 C GLN A 55 4.665 14.078 5.174 1.00 31.25 C ATOM 840 O GLN A 55 5.087 13.119 4.529 1.00 62.12 O ATOM 841 CB GLN A 55 2.218 14.577 5.316 1.00 44.22 C ATOM 842 CG GLN A 55 2.324 16.085 5.158 1.00 3.45 C ATOM 843 CD GLN A 55 2.846 16.493 3.794 1.00 54.33 C ATOM 844 OE1 GLN A 55 2.493 15.895 2.777 1.00 53.23 O ATOM 845 NE2 GLN A 55 3.690 17.517 3.765 1.00 20.13 N ATOM 0 H GLN A 55 2.896 15.267 7.584 1.00 50.31 H new ATOM 0 HA GLN A 55 3.216 12.892 6.202 1.00 11.32 H new ATOM 0 HB2 GLN A 55 2.120 14.123 4.330 1.00 44.22 H new ATOM 0 HB3 GLN A 55 1.308 14.341 5.868 1.00 44.22 H new ATOM 0 HG2 GLN A 55 1.343 16.533 5.316 1.00 3.45 H new ATOM 0 HG3 GLN A 55 2.984 16.482 5.929 1.00 3.45 H new ATOM 0 HE21 GLN A 55 3.956 17.984 4.632 1.00 20.13 H new ATOM 0 HE22 GLN A 55 4.073 17.837 2.876 1.00 20.13 H new ATOM 854 N ASN A 56 5.255 15.269 5.167 1.00 14.22 N ATOM 855 CA ASN A 56 6.458 15.523 4.383 1.00 24.22 C ATOM 856 C ASN A 56 7.582 14.576 4.790 1.00 25.12 C ATOM 857 O ASN A 56 8.206 13.937 3.944 1.00 45.54 O ATOM 858 CB ASN A 56 6.910 16.974 4.558 1.00 22.20 C ATOM 859 CG ASN A 56 7.383 17.593 3.257 1.00 33.24 C ATOM 860 OD1 ASN A 56 6.578 17.938 2.392 1.00 20.21 O ATOM 861 ND2 ASN A 56 8.695 17.737 3.113 1.00 73.42 N ATOM 0 H ASN A 56 4.919 16.074 5.696 1.00 14.22 H new ATOM 0 HA ASN A 56 6.221 15.348 3.334 1.00 24.22 H new ATOM 0 HB2 ASN A 56 6.085 17.563 4.959 1.00 22.20 H new ATOM 0 HB3 ASN A 56 7.716 17.015 5.291 1.00 22.20 H new ATOM 0 HD21 ASN A 56 9.072 18.148 2.259 1.00 73.42 H new ATOM 0 HD22 ASN A 56 9.326 17.437 3.856 1.00 73.42 H new ATOM 868 N GLU A 57 7.834 14.492 6.093 1.00 23.05 N ATOM 869 CA GLU A 57 8.884 13.622 6.612 1.00 43.14 C ATOM 870 C GLU A 57 8.612 12.165 6.250 1.00 41.02 C ATOM 871 O GLU A 57 9.515 11.436 5.840 1.00 32.04 O ATOM 872 CB GLU A 57 8.994 13.770 8.131 1.00 2.24 C ATOM 873 CG GLU A 57 9.175 15.206 8.591 1.00 34.03 C ATOM 874 CD GLU A 57 8.774 15.411 10.039 1.00 45.50 C ATOM 875 OE1 GLU A 57 8.262 14.450 10.652 1.00 75.44 O ATOM 876 OE2 GLU A 57 8.969 16.529 10.558 1.00 11.24 O ATOM 0 H GLU A 57 7.327 15.015 6.807 1.00 23.05 H new ATOM 0 HA GLU A 57 9.827 13.921 6.155 1.00 43.14 H new ATOM 0 HB2 GLU A 57 8.096 13.360 8.593 1.00 2.24 H new ATOM 0 HB3 GLU A 57 9.836 13.175 8.486 1.00 2.24 H new ATOM 0 HG2 GLU A 57 10.218 15.496 8.462 1.00 34.03 H new ATOM 0 HG3 GLU A 57 8.581 15.864 7.957 1.00 34.03 H new ATOM 883 N PHE A 58 7.360 11.747 6.406 1.00 64.21 N ATOM 884 CA PHE A 58 6.969 10.376 6.098 1.00 54.24 C ATOM 885 C PHE A 58 7.141 10.083 4.611 1.00 3.43 C ATOM 886 O PHE A 58 7.595 9.004 4.229 1.00 73.21 O ATOM 887 CB PHE A 58 5.515 10.134 6.511 1.00 3.11 C ATOM 888 CG PHE A 58 5.197 8.688 6.762 1.00 22.10 C ATOM 889 CD1 PHE A 58 4.784 7.865 5.725 1.00 75.42 C ATOM 890 CD2 PHE A 58 5.309 8.150 8.034 1.00 43.24 C ATOM 891 CE1 PHE A 58 4.491 6.534 5.953 1.00 21.01 C ATOM 892 CE2 PHE A 58 5.017 6.819 8.267 1.00 75.33 C ATOM 893 CZ PHE A 58 4.607 6.011 7.226 1.00 41.43 C ATOM 0 H PHE A 58 6.600 12.337 6.743 1.00 64.21 H new ATOM 0 HA PHE A 58 7.617 9.704 6.661 1.00 54.24 H new ATOM 0 HB2 PHE A 58 5.302 10.707 7.413 1.00 3.11 H new ATOM 0 HB3 PHE A 58 4.856 10.513 5.730 1.00 3.11 H new ATOM 0 HD1 PHE A 58 4.690 8.269 4.728 1.00 75.42 H new ATOM 0 HD2 PHE A 58 5.628 8.778 8.853 1.00 43.24 H new ATOM 0 HE1 PHE A 58 4.172 5.903 5.137 1.00 21.01 H new ATOM 0 HE2 PHE A 58 5.110 6.412 9.263 1.00 75.33 H new ATOM 0 HZ PHE A 58 4.377 4.971 7.407 1.00 41.43 H new ATOM 903 N ALA A 59 6.775 11.049 3.775 1.00 74.54 N ATOM 904 CA ALA A 59 6.891 10.897 2.332 1.00 4.43 C ATOM 905 C ALA A 59 8.341 10.674 1.917 1.00 22.14 C ATOM 906 O ALA A 59 8.655 9.724 1.200 1.00 1.11 O ATOM 907 CB ALA A 59 6.319 12.116 1.623 1.00 70.50 C ATOM 0 H ALA A 59 6.395 11.947 4.074 1.00 74.54 H new ATOM 0 HA ALA A 59 6.317 10.018 2.039 1.00 4.43 H new ATOM 0 HB1 ALA A 59 6.413 11.987 0.545 1.00 70.50 H new ATOM 0 HB2 ALA A 59 5.267 12.229 1.885 1.00 70.50 H new ATOM 0 HB3 ALA A 59 6.867 13.007 1.931 1.00 70.50 H new ATOM 913 N LYS A 60 9.224 11.556 2.373 1.00 31.01 N ATOM 914 CA LYS A 60 10.642 11.456 2.052 1.00 22.25 C ATOM 915 C LYS A 60 11.255 10.205 2.672 1.00 23.14 C ATOM 916 O LYS A 60 12.260 9.686 2.185 1.00 64.21 O ATOM 917 CB LYS A 60 11.388 12.699 2.544 1.00 43.54 C ATOM 918 CG LYS A 60 10.836 13.999 1.986 1.00 32.42 C ATOM 919 CD LYS A 60 11.493 14.362 0.665 1.00 0.13 C ATOM 920 CE LYS A 60 12.898 14.908 0.871 1.00 45.32 C ATOM 921 NZ LYS A 60 12.885 16.219 1.575 1.00 33.31 N ATOM 0 H LYS A 60 8.982 12.349 2.967 1.00 31.01 H new ATOM 0 HA LYS A 60 10.738 11.387 0.968 1.00 22.25 H new ATOM 0 HB2 LYS A 60 11.343 12.732 3.633 1.00 43.54 H new ATOM 0 HB3 LYS A 60 12.440 12.613 2.271 1.00 43.54 H new ATOM 0 HG2 LYS A 60 9.759 13.907 1.845 1.00 32.42 H new ATOM 0 HG3 LYS A 60 10.996 14.802 2.706 1.00 32.42 H new ATOM 0 HD2 LYS A 60 11.534 13.481 0.024 1.00 0.13 H new ATOM 0 HD3 LYS A 60 10.886 15.104 0.147 1.00 0.13 H new ATOM 0 HE2 LYS A 60 13.485 14.192 1.447 1.00 45.32 H new ATOM 0 HE3 LYS A 60 13.390 15.019 -0.095 1.00 45.32 H new ATOM 0 HZ1 LYS A 60 13.784 16.714 1.404 1.00 33.31 H new ATOM 0 HZ2 LYS A 60 12.098 16.797 1.218 1.00 33.31 H new ATOM 0 HZ3 LYS A 60 12.765 16.063 2.596 1.00 33.31 H new ATOM 935 N PHE A 61 10.643 9.723 3.749 1.00 72.05 N ATOM 936 CA PHE A 61 11.127 8.532 4.436 1.00 63.33 C ATOM 937 C PHE A 61 10.670 7.266 3.717 1.00 62.42 C ATOM 938 O PHE A 61 11.395 6.272 3.666 1.00 71.13 O ATOM 939 CB PHE A 61 10.634 8.516 5.884 1.00 60.13 C ATOM 940 CG PHE A 61 10.597 7.142 6.490 1.00 50.33 C ATOM 941 CD1 PHE A 61 11.731 6.346 6.505 1.00 62.41 C ATOM 942 CD2 PHE A 61 9.427 6.646 7.044 1.00 1.35 C ATOM 943 CE1 PHE A 61 11.700 5.081 7.062 1.00 74.14 C ATOM 944 CE2 PHE A 61 9.390 5.382 7.602 1.00 32.14 C ATOM 945 CZ PHE A 61 10.528 4.599 7.611 1.00 4.55 C ATOM 0 H PHE A 61 9.810 10.140 4.165 1.00 72.05 H new ATOM 0 HA PHE A 61 12.217 8.558 4.431 1.00 63.33 H new ATOM 0 HB2 PHE A 61 11.281 9.153 6.487 1.00 60.13 H new ATOM 0 HB3 PHE A 61 9.634 8.949 5.924 1.00 60.13 H new ATOM 0 HD1 PHE A 61 12.650 6.718 6.077 1.00 62.41 H new ATOM 0 HD2 PHE A 61 8.534 7.254 7.040 1.00 1.35 H new ATOM 0 HE1 PHE A 61 12.591 4.471 7.068 1.00 74.14 H new ATOM 0 HE2 PHE A 61 8.472 5.007 8.031 1.00 32.14 H new ATOM 0 HZ PHE A 61 10.501 3.611 8.047 1.00 4.55 H new