USER MOD reduce.3.24.130724 H: found=0, std=0, add=459, rem=0, adj=6 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 Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -2.31 K(o=-2.3,f=-6.7!) USER MOD Single : A 18 SER OG : rot 180:sc= 0.106 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -166:sc= -0.0708 (180deg=-0.371) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -113:sc= -0.538 (180deg=-3.27!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -3.52 K(o=-3.5,f=-6.9!) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 GLN : amide:sc= -0.992 K(o=-0.99,f=-5.5!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -3.32 K(o=-3.3,f=-10!) USER MOD Single : A 55 GLN : amide:sc= -1.19 K(o=-1.2,f=-2.8!) USER MOD Single : A 56 ASN : amide:sc= -0.0599 X(o=-0.06,f=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 28 N GLU A 3 1.778 7.317 -0.318 1.00 51.34 N ATOM 29 CA GLU A 3 1.813 7.753 1.073 1.00 65.15 C ATOM 30 C GLU A 3 0.421 8.155 1.553 1.00 62.12 C ATOM 31 O GLU A 3 0.273 8.796 2.591 1.00 21.15 O ATOM 32 CB GLU A 3 2.781 8.926 1.240 1.00 75.12 C ATOM 33 CG GLU A 3 3.929 8.638 2.192 1.00 74.53 C ATOM 34 CD GLU A 3 4.725 7.411 1.793 1.00 35.01 C ATOM 35 OE1 GLU A 3 5.417 7.464 0.754 1.00 32.12 O ATOM 36 OE2 GLU A 3 4.656 6.397 2.519 1.00 34.34 O ATOM 0 HA GLU A 3 2.160 6.917 1.680 1.00 65.15 H new ATOM 0 HB2 GLU A 3 3.188 9.192 0.264 1.00 75.12 H new ATOM 0 HB3 GLU A 3 2.229 9.793 1.602 1.00 75.12 H new ATOM 0 HG2 GLU A 3 4.593 9.502 2.226 1.00 74.53 H new ATOM 0 HG3 GLU A 3 3.535 8.499 3.199 1.00 74.53 H new ATOM 43 N ALA A 4 -0.595 7.772 0.786 1.00 32.13 N ATOM 44 CA ALA A 4 -1.974 8.091 1.132 1.00 35.31 C ATOM 45 C ALA A 4 -2.386 7.409 2.433 1.00 22.33 C ATOM 46 O ALA A 4 -3.257 7.898 3.154 1.00 5.23 O ATOM 47 CB ALA A 4 -2.910 7.686 0.003 1.00 62.42 C ATOM 0 H ALA A 4 -0.489 7.241 -0.078 1.00 32.13 H new ATOM 0 HA ALA A 4 -2.045 9.169 1.279 1.00 35.31 H new ATOM 0 HB1 ALA A 4 -3.937 7.930 0.276 1.00 62.42 H new ATOM 0 HB2 ALA A 4 -2.638 8.224 -0.905 1.00 62.42 H new ATOM 0 HB3 ALA A 4 -2.827 6.613 -0.172 1.00 62.42 H new ATOM 53 N LEU A 5 -1.756 6.278 2.727 1.00 25.21 N ATOM 54 CA LEU A 5 -2.057 5.528 3.942 1.00 42.24 C ATOM 55 C LEU A 5 -1.715 6.343 5.184 1.00 33.14 C ATOM 56 O LEU A 5 -2.410 6.271 6.198 1.00 25.00 O ATOM 57 CB LEU A 5 -1.283 4.208 3.955 1.00 45.35 C ATOM 58 CG LEU A 5 -1.117 3.514 2.602 1.00 5.00 C ATOM 59 CD1 LEU A 5 -0.474 2.146 2.779 1.00 35.12 C ATOM 60 CD2 LEU A 5 -2.460 3.388 1.899 1.00 42.13 C ATOM 0 H LEU A 5 -1.033 5.859 2.141 1.00 25.21 H new ATOM 0 HA LEU A 5 -3.126 5.316 3.953 1.00 42.24 H new ATOM 0 HB2 LEU A 5 -0.292 4.395 4.369 1.00 45.35 H new ATOM 0 HB3 LEU A 5 -1.788 3.521 4.634 1.00 45.35 H new ATOM 0 HG LEU A 5 -0.461 4.123 1.981 1.00 5.00 H new ATOM 0 HD11 LEU A 5 -0.364 1.667 1.806 1.00 35.12 H new ATOM 0 HD12 LEU A 5 0.507 2.262 3.240 1.00 35.12 H new ATOM 0 HD13 LEU A 5 -1.104 1.528 3.418 1.00 35.12 H new ATOM 0 HD21 LEU A 5 -2.323 2.892 0.938 1.00 42.13 H new ATOM 0 HD22 LEU A 5 -3.140 2.801 2.516 1.00 42.13 H new ATOM 0 HD23 LEU A 5 -2.881 4.380 1.738 1.00 42.13 H new ATOM 72 N PHE A 6 -0.640 7.121 5.098 1.00 15.10 N ATOM 73 CA PHE A 6 -0.207 7.952 6.215 1.00 73.32 C ATOM 74 C PHE A 6 -1.269 8.989 6.565 1.00 13.35 C ATOM 75 O PHE A 6 -1.643 9.144 7.728 1.00 72.05 O ATOM 76 CB PHE A 6 1.113 8.649 5.877 1.00 34.02 C ATOM 77 CG PHE A 6 1.424 9.810 6.777 1.00 1.15 C ATOM 78 CD1 PHE A 6 0.826 11.043 6.572 1.00 14.34 C ATOM 79 CD2 PHE A 6 2.316 9.669 7.828 1.00 14.21 C ATOM 80 CE1 PHE A 6 1.109 12.114 7.399 1.00 1.24 C ATOM 81 CE2 PHE A 6 2.604 10.736 8.658 1.00 1.21 C ATOM 82 CZ PHE A 6 2.001 11.961 8.443 1.00 71.40 C ATOM 0 H PHE A 6 -0.054 7.193 4.267 1.00 15.10 H new ATOM 0 HA PHE A 6 -0.057 7.306 7.080 1.00 73.32 H new ATOM 0 HB2 PHE A 6 1.924 7.924 5.939 1.00 34.02 H new ATOM 0 HB3 PHE A 6 1.076 8.999 4.845 1.00 34.02 H new ATOM 0 HD1 PHE A 6 0.130 11.169 5.756 1.00 14.34 H new ATOM 0 HD2 PHE A 6 2.791 8.715 8.001 1.00 14.21 H new ATOM 0 HE1 PHE A 6 0.634 13.069 7.229 1.00 1.24 H new ATOM 0 HE2 PHE A 6 3.300 10.613 9.474 1.00 1.21 H new ATOM 0 HZ PHE A 6 2.226 12.796 9.089 1.00 71.40 H new ATOM 92 N LYS A 7 -1.751 9.700 5.551 1.00 61.40 N ATOM 93 CA LYS A 7 -2.770 10.723 5.749 1.00 13.23 C ATOM 94 C LYS A 7 -4.140 10.090 5.976 1.00 10.52 C ATOM 95 O LYS A 7 -5.004 10.678 6.624 1.00 32.01 O ATOM 96 CB LYS A 7 -2.824 11.661 4.540 1.00 64.51 C ATOM 97 CG LYS A 7 -1.606 12.559 4.413 1.00 51.22 C ATOM 98 CD LYS A 7 -1.809 13.627 3.352 1.00 11.14 C ATOM 99 CE LYS A 7 -0.762 14.725 3.458 1.00 63.13 C ATOM 100 NZ LYS A 7 -1.173 15.957 2.730 1.00 34.01 N ATOM 0 H LYS A 7 -1.451 9.586 4.583 1.00 61.40 H new ATOM 0 HA LYS A 7 -2.503 11.298 6.636 1.00 13.23 H new ATOM 0 HB2 LYS A 7 -2.922 11.065 3.632 1.00 64.51 H new ATOM 0 HB3 LYS A 7 -3.717 12.282 4.612 1.00 64.51 H new ATOM 0 HG2 LYS A 7 -1.401 13.033 5.373 1.00 51.22 H new ATOM 0 HG3 LYS A 7 -0.733 11.956 4.162 1.00 51.22 H new ATOM 0 HD2 LYS A 7 -1.761 13.172 2.363 1.00 11.14 H new ATOM 0 HD3 LYS A 7 -2.804 14.060 3.456 1.00 11.14 H new ATOM 0 HE2 LYS A 7 -0.591 14.964 4.508 1.00 63.13 H new ATOM 0 HE3 LYS A 7 0.184 14.364 3.055 1.00 63.13 H new ATOM 0 HZ1 LYS A 7 -0.432 16.681 2.827 1.00 34.01 H new ATOM 0 HZ2 LYS A 7 -1.311 15.736 1.723 1.00 34.01 H new ATOM 0 HZ3 LYS A 7 -2.063 16.316 3.131 1.00 34.01 H new ATOM 114 N GLU A 8 -4.328 8.890 5.438 1.00 24.42 N ATOM 115 CA GLU A 8 -5.593 8.178 5.584 1.00 24.21 C ATOM 116 C GLU A 8 -5.839 7.799 7.041 1.00 33.55 C ATOM 117 O GLU A 8 -6.951 7.941 7.551 1.00 23.13 O ATOM 118 CB GLU A 8 -5.599 6.921 4.711 1.00 54.32 C ATOM 119 CG GLU A 8 -6.931 6.189 4.709 1.00 62.32 C ATOM 120 CD GLU A 8 -7.940 6.814 3.767 1.00 55.32 C ATOM 121 OE1 GLU A 8 -7.934 8.056 3.628 1.00 43.21 O ATOM 122 OE2 GLU A 8 -8.737 6.062 3.167 1.00 21.00 O ATOM 0 H GLU A 8 -3.622 8.390 4.898 1.00 24.42 H new ATOM 0 HA GLU A 8 -6.394 8.842 5.259 1.00 24.21 H new ATOM 0 HB2 GLU A 8 -5.344 7.198 3.688 1.00 54.32 H new ATOM 0 HB3 GLU A 8 -4.821 6.242 5.061 1.00 54.32 H new ATOM 0 HG2 GLU A 8 -6.769 5.149 4.424 1.00 62.32 H new ATOM 0 HG3 GLU A 8 -7.339 6.183 5.720 1.00 62.32 H new ATOM 129 N ILE A 9 -4.795 7.315 7.705 1.00 22.30 N ATOM 130 CA ILE A 9 -4.897 6.916 9.103 1.00 23.52 C ATOM 131 C ILE A 9 -5.112 8.126 10.007 1.00 54.41 C ATOM 132 O ILE A 9 -5.648 8.004 11.108 1.00 61.33 O ATOM 133 CB ILE A 9 -3.638 6.162 9.567 1.00 63.30 C ATOM 134 CG1 ILE A 9 -3.506 4.834 8.817 1.00 31.22 C ATOM 135 CG2 ILE A 9 -3.686 5.924 11.069 1.00 65.21 C ATOM 136 CD1 ILE A 9 -4.614 3.852 9.127 1.00 4.10 C ATOM 0 H ILE A 9 -3.869 7.190 7.297 1.00 22.30 H new ATOM 0 HA ILE A 9 -5.758 6.251 9.178 1.00 23.52 H new ATOM 0 HB ILE A 9 -2.764 6.773 9.343 1.00 63.30 H new ATOM 0 HG12 ILE A 9 -3.496 5.031 7.745 1.00 31.22 H new ATOM 0 HG13 ILE A 9 -2.548 4.379 9.067 1.00 31.22 H new ATOM 0 HG21 ILE A 9 -2.789 5.390 11.382 1.00 65.21 H new ATOM 0 HG22 ILE A 9 -3.738 6.881 11.588 1.00 65.21 H new ATOM 0 HG23 ILE A 9 -4.566 5.330 11.315 1.00 65.21 H new ATOM 0 HD11 ILE A 9 -4.456 2.934 8.561 1.00 4.10 H new ATOM 0 HD12 ILE A 9 -4.612 3.625 10.193 1.00 4.10 H new ATOM 0 HD13 ILE A 9 -5.574 4.288 8.851 1.00 4.10 H new ATOM 148 N ASP A 10 -4.694 9.294 9.531 1.00 42.32 N ATOM 149 CA ASP A 10 -4.844 10.528 10.294 1.00 3.31 C ATOM 150 C ASP A 10 -6.277 11.043 10.217 1.00 32.41 C ATOM 151 O ASP A 10 -6.564 12.010 9.511 1.00 50.11 O ATOM 152 CB ASP A 10 -3.877 11.594 9.774 1.00 72.53 C ATOM 153 CG ASP A 10 -2.549 11.576 10.506 1.00 13.20 C ATOM 154 OD1 ASP A 10 -2.560 11.580 11.755 1.00 51.20 O ATOM 155 OD2 ASP A 10 -1.499 11.561 9.830 1.00 43.12 O ATOM 0 H ASP A 10 -4.249 9.412 8.621 1.00 42.32 H new ATOM 0 HA ASP A 10 -4.610 10.313 11.337 1.00 3.31 H new ATOM 0 HB2 ASP A 10 -3.704 11.436 8.709 1.00 72.53 H new ATOM 0 HB3 ASP A 10 -4.334 12.578 9.880 1.00 72.53 H new ATOM 160 N VAL A 11 -7.175 10.391 10.949 1.00 64.04 N ATOM 161 CA VAL A 11 -8.579 10.782 10.964 1.00 15.35 C ATOM 162 C VAL A 11 -8.748 12.201 11.495 1.00 11.30 C ATOM 163 O VAL A 11 -9.779 12.838 11.280 1.00 44.13 O ATOM 164 CB VAL A 11 -9.421 9.821 11.824 1.00 24.33 C ATOM 165 CG1 VAL A 11 -10.903 10.119 11.663 1.00 60.34 C ATOM 166 CG2 VAL A 11 -9.116 8.376 11.462 1.00 53.31 C ATOM 0 H VAL A 11 -6.955 9.589 11.540 1.00 64.04 H new ATOM 0 HA VAL A 11 -8.931 10.738 9.933 1.00 15.35 H new ATOM 0 HB VAL A 11 -9.157 9.972 12.871 1.00 24.33 H new ATOM 0 HG11 VAL A 11 -11.482 9.430 12.278 1.00 60.34 H new ATOM 0 HG12 VAL A 11 -11.105 11.143 11.978 1.00 60.34 H new ATOM 0 HG13 VAL A 11 -11.187 9.998 10.618 1.00 60.34 H new ATOM 0 HG21 VAL A 11 -9.720 7.711 12.079 1.00 53.31 H new ATOM 0 HG22 VAL A 11 -9.350 8.207 10.411 1.00 53.31 H new ATOM 0 HG23 VAL A 11 -8.059 8.173 11.636 1.00 53.31 H new ATOM 176 N ASN A 12 -7.726 12.693 12.190 1.00 12.00 N ATOM 177 CA ASN A 12 -7.761 14.038 12.752 1.00 41.41 C ATOM 178 C ASN A 12 -7.373 15.076 11.703 1.00 2.15 C ATOM 179 O ASN A 12 -7.356 16.275 11.978 1.00 0.25 O ATOM 180 CB ASN A 12 -6.821 14.136 13.955 1.00 64.21 C ATOM 181 CG ASN A 12 -5.489 13.454 13.704 1.00 32.14 C ATOM 182 OD1 ASN A 12 -5.071 13.286 12.559 1.00 51.44 O ATOM 183 ND2 ASN A 12 -4.816 13.058 14.778 1.00 60.33 N ATOM 0 H ASN A 12 -6.864 12.180 12.377 1.00 12.00 H new ATOM 0 HA ASN A 12 -8.781 14.241 13.079 1.00 41.41 H new ATOM 0 HB2 ASN A 12 -6.650 15.185 14.194 1.00 64.21 H new ATOM 0 HB3 ASN A 12 -7.299 13.685 14.824 1.00 64.21 H new ATOM 0 HD21 ASN A 12 -3.914 12.594 14.672 1.00 60.33 H new ATOM 0 HD22 ASN A 12 -5.201 13.218 15.709 1.00 60.33 H new ATOM 190 N GLY A 13 -7.061 14.606 10.499 1.00 63.55 N ATOM 191 CA GLY A 13 -6.678 15.505 9.427 1.00 24.13 C ATOM 192 C GLY A 13 -5.589 16.475 9.846 1.00 73.40 C ATOM 193 O GLY A 13 -5.672 17.670 9.563 1.00 33.23 O ATOM 0 H GLY A 13 -7.067 13.618 10.247 1.00 63.55 H new ATOM 0 HA2 GLY A 13 -6.332 14.922 8.574 1.00 24.13 H new ATOM 0 HA3 GLY A 13 -7.553 16.066 9.097 1.00 24.13 H new ATOM 197 N ASP A 14 -4.568 15.960 10.522 1.00 54.01 N ATOM 198 CA ASP A 14 -3.460 16.788 10.981 1.00 10.35 C ATOM 199 C ASP A 14 -2.228 16.582 10.105 1.00 70.43 C ATOM 200 O ASP A 14 -1.292 17.379 10.135 1.00 1.22 O ATOM 201 CB ASP A 14 -3.124 16.468 12.438 1.00 60.14 C ATOM 202 CG ASP A 14 -2.865 14.991 12.661 1.00 41.43 C ATOM 203 OD1 ASP A 14 -2.792 14.244 11.662 1.00 73.54 O ATOM 204 OD2 ASP A 14 -2.733 14.582 13.833 1.00 74.45 O ATOM 0 H ASP A 14 -4.485 14.973 10.764 1.00 54.01 H new ATOM 0 HA ASP A 14 -3.765 17.832 10.908 1.00 10.35 H new ATOM 0 HB2 ASP A 14 -2.245 17.038 12.739 1.00 60.14 H new ATOM 0 HB3 ASP A 14 -3.946 16.790 13.077 1.00 60.14 H new ATOM 209 N GLY A 15 -2.236 15.505 9.325 1.00 23.33 N ATOM 210 CA GLY A 15 -1.114 15.211 8.454 1.00 54.52 C ATOM 211 C GLY A 15 0.132 14.818 9.223 1.00 14.31 C ATOM 212 O GLY A 15 1.225 14.767 8.662 1.00 4.10 O ATOM 0 H GLY A 15 -3.000 14.831 9.281 1.00 23.33 H new ATOM 0 HA2 GLY A 15 -1.388 14.403 7.775 1.00 54.52 H new ATOM 0 HA3 GLY A 15 -0.897 16.085 7.839 1.00 54.52 H new ATOM 216 N ALA A 16 -0.034 14.541 10.512 1.00 72.30 N ATOM 217 CA ALA A 16 1.085 14.149 11.360 1.00 11.41 C ATOM 218 C ALA A 16 0.722 12.952 12.232 1.00 54.22 C ATOM 219 O ALA A 16 -0.385 12.874 12.767 1.00 3.25 O ATOM 220 CB ALA A 16 1.526 15.320 12.225 1.00 41.50 C ATOM 0 H ALA A 16 -0.933 14.581 10.992 1.00 72.30 H new ATOM 0 HA ALA A 16 1.913 13.856 10.714 1.00 11.41 H new ATOM 0 HB1 ALA A 16 2.362 15.014 12.853 1.00 41.50 H new ATOM 0 HB2 ALA A 16 1.836 16.147 11.587 1.00 41.50 H new ATOM 0 HB3 ALA A 16 0.696 15.639 12.856 1.00 41.50 H new ATOM 226 N VAL A 17 1.659 12.021 12.369 1.00 60.32 N ATOM 227 CA VAL A 17 1.438 10.827 13.177 1.00 55.13 C ATOM 228 C VAL A 17 2.506 10.686 14.255 1.00 31.54 C ATOM 229 O VAL A 17 3.693 10.565 13.956 1.00 51.32 O ATOM 230 CB VAL A 17 1.431 9.555 12.308 1.00 33.32 C ATOM 231 CG1 VAL A 17 0.287 9.598 11.306 1.00 32.23 C ATOM 232 CG2 VAL A 17 2.766 9.387 11.599 1.00 55.23 C ATOM 0 H VAL A 17 2.579 12.070 11.931 1.00 60.32 H new ATOM 0 HA VAL A 17 0.462 10.942 13.650 1.00 55.13 H new ATOM 0 HB VAL A 17 1.280 8.693 12.958 1.00 33.32 H new ATOM 0 HG11 VAL A 17 0.299 8.691 10.701 1.00 32.23 H new ATOM 0 HG12 VAL A 17 -0.661 9.667 11.839 1.00 32.23 H new ATOM 0 HG13 VAL A 17 0.403 10.467 10.659 1.00 32.23 H new ATOM 0 HG21 VAL A 17 2.743 8.483 10.990 1.00 55.23 H new ATOM 0 HG22 VAL A 17 2.950 10.251 10.960 1.00 55.23 H new ATOM 0 HG23 VAL A 17 3.563 9.306 12.338 1.00 55.23 H new ATOM 242 N SER A 18 2.075 10.703 15.513 1.00 54.14 N ATOM 243 CA SER A 18 2.995 10.582 16.637 1.00 62.21 C ATOM 244 C SER A 18 3.300 9.117 16.934 1.00 60.42 C ATOM 245 O SER A 18 2.765 8.216 16.285 1.00 22.44 O ATOM 246 CB SER A 18 2.407 11.253 17.880 1.00 51.52 C ATOM 247 OG SER A 18 1.026 11.520 17.710 1.00 12.23 O ATOM 0 H SER A 18 1.095 10.799 15.778 1.00 54.14 H new ATOM 0 HA SER A 18 3.925 11.082 16.368 1.00 62.21 H new ATOM 0 HB2 SER A 18 2.552 10.609 18.748 1.00 51.52 H new ATOM 0 HB3 SER A 18 2.938 12.183 18.081 1.00 51.52 H new ATOM 0 HG SER A 18 0.673 11.947 18.518 1.00 12.23 H new ATOM 253 N TYR A 19 4.162 8.885 17.917 1.00 3.30 N ATOM 254 CA TYR A 19 4.542 7.530 18.299 1.00 54.33 C ATOM 255 C TYR A 19 3.311 6.639 18.437 1.00 62.00 C ATOM 256 O TYR A 19 3.291 5.510 17.947 1.00 33.25 O ATOM 257 CB TYR A 19 5.323 7.547 19.613 1.00 14.22 C ATOM 258 CG TYR A 19 4.561 8.166 20.763 1.00 74.01 C ATOM 259 CD1 TYR A 19 4.509 9.545 20.927 1.00 72.22 C ATOM 260 CD2 TYR A 19 3.890 7.372 21.685 1.00 63.05 C ATOM 261 CE1 TYR A 19 3.813 10.113 21.976 1.00 1.34 C ATOM 262 CE2 TYR A 19 3.192 7.932 22.737 1.00 40.42 C ATOM 263 CZ TYR A 19 3.157 9.303 22.878 1.00 14.23 C ATOM 264 OH TYR A 19 2.462 9.866 23.924 1.00 33.23 O ATOM 0 H TYR A 19 4.612 9.619 18.465 1.00 3.30 H new ATOM 0 HA TYR A 19 5.178 7.123 17.513 1.00 54.33 H new ATOM 0 HB2 TYR A 19 5.596 6.525 19.877 1.00 14.22 H new ATOM 0 HB3 TYR A 19 6.253 8.097 19.466 1.00 14.22 H new ATOM 0 HD1 TYR A 19 5.021 10.183 20.222 1.00 72.22 H new ATOM 0 HD2 TYR A 19 3.915 6.298 21.577 1.00 63.05 H new ATOM 0 HE1 TYR A 19 3.783 11.187 22.089 1.00 1.34 H new ATOM 0 HE2 TYR A 19 2.677 7.300 23.445 1.00 40.42 H new ATOM 0 HH TYR A 19 2.056 9.158 24.466 1.00 33.23 H new ATOM 274 N GLU A 20 2.286 7.156 19.108 1.00 4.02 N ATOM 275 CA GLU A 20 1.052 6.408 19.312 1.00 70.40 C ATOM 276 C GLU A 20 0.431 6.007 17.977 1.00 5.30 C ATOM 277 O GLU A 20 0.047 4.855 17.782 1.00 54.35 O ATOM 278 CB GLU A 20 0.053 7.239 20.122 1.00 51.53 C ATOM 279 CG GLU A 20 -0.141 6.741 21.544 1.00 54.33 C ATOM 280 CD GLU A 20 -1.485 7.138 22.122 1.00 15.21 C ATOM 281 OE1 GLU A 20 -2.005 8.206 21.735 1.00 44.42 O ATOM 282 OE2 GLU A 20 -2.017 6.383 22.961 1.00 60.42 O ATOM 0 H GLU A 20 2.286 8.089 19.519 1.00 4.02 H new ATOM 0 HA GLU A 20 1.295 5.502 19.867 1.00 70.40 H new ATOM 0 HB2 GLU A 20 0.394 8.274 20.152 1.00 51.53 H new ATOM 0 HB3 GLU A 20 -0.909 7.235 19.610 1.00 51.53 H new ATOM 0 HG2 GLU A 20 -0.049 5.655 21.561 1.00 54.33 H new ATOM 0 HG3 GLU A 20 0.654 7.138 22.176 1.00 54.33 H new ATOM 289 N GLU A 21 0.339 6.967 17.061 1.00 35.35 N ATOM 290 CA GLU A 21 -0.235 6.714 15.746 1.00 54.05 C ATOM 291 C GLU A 21 0.495 5.572 15.044 1.00 15.32 C ATOM 292 O GLU A 21 -0.127 4.718 14.411 1.00 30.02 O ATOM 293 CB GLU A 21 -0.174 7.978 14.886 1.00 63.20 C ATOM 294 CG GLU A 21 -1.081 9.093 15.377 1.00 70.41 C ATOM 295 CD GLU A 21 -1.705 9.880 14.241 1.00 1.40 C ATOM 296 OE1 GLU A 21 -2.179 9.251 13.273 1.00 53.22 O ATOM 297 OE2 GLU A 21 -1.717 11.127 14.321 1.00 75.50 O ATOM 0 H GLU A 21 0.655 7.926 17.206 1.00 35.35 H new ATOM 0 HA GLU A 21 -1.277 6.426 15.882 1.00 54.05 H new ATOM 0 HB2 GLU A 21 0.853 8.341 14.861 1.00 63.20 H new ATOM 0 HB3 GLU A 21 -0.447 7.724 13.862 1.00 63.20 H new ATOM 0 HG2 GLU A 21 -1.871 8.668 15.996 1.00 70.41 H new ATOM 0 HG3 GLU A 21 -0.508 9.770 16.011 1.00 70.41 H new ATOM 304 N VAL A 22 1.819 5.565 15.159 1.00 32.01 N ATOM 305 CA VAL A 22 2.635 4.529 14.537 1.00 72.45 C ATOM 306 C VAL A 22 2.284 3.150 15.085 1.00 72.02 C ATOM 307 O VAL A 22 1.962 2.233 14.329 1.00 43.10 O ATOM 308 CB VAL A 22 4.137 4.789 14.757 1.00 53.13 C ATOM 309 CG1 VAL A 22 4.961 3.607 14.270 1.00 34.33 C ATOM 310 CG2 VAL A 22 4.563 6.072 14.058 1.00 73.35 C ATOM 0 H VAL A 22 2.350 6.265 15.677 1.00 32.01 H new ATOM 0 HA VAL A 22 2.422 4.558 13.468 1.00 72.45 H new ATOM 0 HB VAL A 22 4.315 4.908 15.826 1.00 53.13 H new ATOM 0 HG11 VAL A 22 6.019 3.809 14.434 1.00 34.33 H new ATOM 0 HG12 VAL A 22 4.673 2.711 14.821 1.00 34.33 H new ATOM 0 HG13 VAL A 22 4.782 3.452 13.206 1.00 34.33 H new ATOM 0 HG21 VAL A 22 5.627 6.241 14.224 1.00 73.35 H new ATOM 0 HG22 VAL A 22 4.372 5.984 12.988 1.00 73.35 H new ATOM 0 HG23 VAL A 22 3.996 6.911 14.460 1.00 73.35 H new ATOM 320 N LYS A 23 2.347 3.010 16.405 1.00 45.42 N ATOM 321 CA LYS A 23 2.035 1.743 17.056 1.00 15.23 C ATOM 322 C LYS A 23 0.650 1.251 16.650 1.00 54.14 C ATOM 323 O LYS A 23 0.434 0.052 16.473 1.00 73.53 O ATOM 324 CB LYS A 23 2.108 1.897 18.577 1.00 41.34 C ATOM 325 CG LYS A 23 3.251 1.126 19.212 1.00 64.14 C ATOM 326 CD LYS A 23 3.029 -0.375 19.122 1.00 41.22 C ATOM 327 CE LYS A 23 1.797 -0.804 19.905 1.00 3.10 C ATOM 328 NZ LYS A 23 1.852 -0.344 21.320 1.00 4.34 N ATOM 0 H LYS A 23 2.611 3.759 17.045 1.00 45.42 H new ATOM 0 HA LYS A 23 2.772 1.006 16.736 1.00 15.23 H new ATOM 0 HB2 LYS A 23 2.213 2.954 18.822 1.00 41.34 H new ATOM 0 HB3 LYS A 23 1.167 1.561 19.013 1.00 41.34 H new ATOM 0 HG2 LYS A 23 4.186 1.387 18.717 1.00 64.14 H new ATOM 0 HG3 LYS A 23 3.352 1.418 20.257 1.00 64.14 H new ATOM 0 HD2 LYS A 23 2.917 -0.665 18.077 1.00 41.22 H new ATOM 0 HD3 LYS A 23 3.905 -0.897 19.506 1.00 41.22 H new ATOM 0 HE2 LYS A 23 0.904 -0.401 19.427 1.00 3.10 H new ATOM 0 HE3 LYS A 23 1.710 -1.890 19.879 1.00 3.10 H new ATOM 0 HZ1 LYS A 23 1.130 -0.845 21.876 1.00 4.34 H new ATOM 0 HZ2 LYS A 23 2.793 -0.544 21.714 1.00 4.34 H new ATOM 0 HZ3 LYS A 23 1.671 0.679 21.360 1.00 4.34 H new ATOM 342 N ALA A 24 -0.286 2.183 16.503 1.00 11.20 N ATOM 343 CA ALA A 24 -1.649 1.843 16.115 1.00 52.10 C ATOM 344 C ALA A 24 -1.696 1.311 14.687 1.00 73.13 C ATOM 345 O ALA A 24 -2.415 0.355 14.393 1.00 64.33 O ATOM 346 CB ALA A 24 -2.557 3.056 16.259 1.00 72.04 C ATOM 0 H ALA A 24 -0.125 3.180 16.647 1.00 11.20 H new ATOM 0 HA ALA A 24 -2.005 1.056 16.780 1.00 52.10 H new ATOM 0 HB1 ALA A 24 -3.572 2.788 15.966 1.00 72.04 H new ATOM 0 HB2 ALA A 24 -2.555 3.391 17.296 1.00 72.04 H new ATOM 0 HB3 ALA A 24 -2.195 3.860 15.618 1.00 72.04 H new ATOM 352 N PHE A 25 -0.928 1.936 13.801 1.00 35.01 N ATOM 353 CA PHE A 25 -0.884 1.527 12.402 1.00 73.50 C ATOM 354 C PHE A 25 -0.609 0.031 12.283 1.00 44.35 C ATOM 355 O PHE A 25 -1.334 -0.694 11.600 1.00 5.44 O ATOM 356 CB PHE A 25 0.189 2.316 11.651 1.00 45.32 C ATOM 357 CG PHE A 25 0.065 2.226 10.156 1.00 24.23 C ATOM 358 CD1 PHE A 25 0.252 1.019 9.505 1.00 45.23 C ATOM 359 CD2 PHE A 25 -0.240 3.350 9.405 1.00 72.24 C ATOM 360 CE1 PHE A 25 0.138 0.932 8.130 1.00 42.20 C ATOM 361 CE2 PHE A 25 -0.356 3.269 8.030 1.00 21.10 C ATOM 362 CZ PHE A 25 -0.165 2.060 7.392 1.00 71.45 C ATOM 0 H PHE A 25 -0.327 2.728 14.027 1.00 35.01 H new ATOM 0 HA PHE A 25 -1.856 1.737 11.957 1.00 73.50 H new ATOM 0 HB2 PHE A 25 0.134 3.363 11.950 1.00 45.32 H new ATOM 0 HB3 PHE A 25 1.172 1.951 11.948 1.00 45.32 H new ATOM 0 HD1 PHE A 25 0.490 0.135 10.078 1.00 45.23 H new ATOM 0 HD2 PHE A 25 -0.389 4.299 9.899 1.00 72.24 H new ATOM 0 HE1 PHE A 25 0.285 -0.016 7.634 1.00 42.20 H new ATOM 0 HE2 PHE A 25 -0.596 4.151 7.455 1.00 21.10 H new ATOM 0 HZ PHE A 25 -0.252 1.996 6.317 1.00 71.45 H new ATOM 372 N VAL A 26 0.447 -0.426 12.951 1.00 53.12 N ATOM 373 CA VAL A 26 0.819 -1.836 12.921 1.00 50.55 C ATOM 374 C VAL A 26 -0.191 -2.688 13.680 1.00 15.31 C ATOM 375 O VAL A 26 -0.398 -3.858 13.359 1.00 11.42 O ATOM 376 CB VAL A 26 2.219 -2.059 13.522 1.00 63.52 C ATOM 377 CG1 VAL A 26 2.115 -2.401 15.001 1.00 64.54 C ATOM 378 CG2 VAL A 26 2.956 -3.152 12.763 1.00 24.44 C ATOM 0 H VAL A 26 1.059 0.160 13.519 1.00 53.12 H new ATOM 0 HA VAL A 26 0.829 -2.139 11.874 1.00 50.55 H new ATOM 0 HB VAL A 26 2.789 -1.135 13.426 1.00 63.52 H new ATOM 0 HG11 VAL A 26 3.114 -2.555 15.410 1.00 64.54 H new ATOM 0 HG12 VAL A 26 1.629 -1.582 15.531 1.00 64.54 H new ATOM 0 HG13 VAL A 26 1.528 -3.311 15.124 1.00 64.54 H new ATOM 0 HG21 VAL A 26 3.944 -3.297 13.201 1.00 24.44 H new ATOM 0 HG22 VAL A 26 2.392 -4.082 12.826 1.00 24.44 H new ATOM 0 HG23 VAL A 26 3.062 -2.861 11.718 1.00 24.44 H new ATOM 388 N SER A 27 -0.819 -2.092 14.689 1.00 71.54 N ATOM 389 CA SER A 27 -1.807 -2.797 15.497 1.00 33.42 C ATOM 390 C SER A 27 -3.009 -3.206 14.652 1.00 33.45 C ATOM 391 O SER A 27 -3.736 -4.140 14.993 1.00 24.45 O ATOM 392 CB SER A 27 -2.264 -1.919 16.664 1.00 5.11 C ATOM 393 OG SER A 27 -1.534 -2.215 17.842 1.00 44.45 O ATOM 0 H SER A 27 -0.661 -1.123 14.966 1.00 71.54 H new ATOM 0 HA SER A 27 -1.339 -3.699 15.892 1.00 33.42 H new ATOM 0 HB2 SER A 27 -2.133 -0.868 16.406 1.00 5.11 H new ATOM 0 HB3 SER A 27 -3.328 -2.073 16.844 1.00 5.11 H new ATOM 0 HG SER A 27 -1.844 -1.639 18.572 1.00 44.45 H new ATOM 399 N LYS A 28 -3.215 -2.498 13.547 1.00 43.32 N ATOM 400 CA LYS A 28 -4.329 -2.785 12.649 1.00 24.40 C ATOM 401 C LYS A 28 -4.077 -4.068 11.864 1.00 71.42 C ATOM 402 O LYS A 28 -4.956 -4.555 11.152 1.00 5.02 O ATOM 403 CB LYS A 28 -4.547 -1.618 11.685 1.00 43.23 C ATOM 404 CG LYS A 28 -5.219 -0.417 12.325 1.00 54.14 C ATOM 405 CD LYS A 28 -6.643 -0.737 12.752 1.00 1.53 C ATOM 406 CE LYS A 28 -7.505 -1.134 11.564 1.00 65.04 C ATOM 407 NZ LYS A 28 -7.839 -2.585 11.582 1.00 34.52 N ATOM 0 H LYS A 28 -2.625 -1.720 13.251 1.00 43.32 H new ATOM 0 HA LYS A 28 -5.226 -2.920 13.253 1.00 24.40 H new ATOM 0 HB2 LYS A 28 -3.584 -1.310 11.277 1.00 43.23 H new ATOM 0 HB3 LYS A 28 -5.154 -1.959 10.846 1.00 43.23 H new ATOM 0 HG2 LYS A 28 -4.642 -0.095 13.192 1.00 54.14 H new ATOM 0 HG3 LYS A 28 -5.227 0.415 11.621 1.00 54.14 H new ATOM 0 HD2 LYS A 28 -6.632 -1.547 13.482 1.00 1.53 H new ATOM 0 HD3 LYS A 28 -7.080 0.131 13.246 1.00 1.53 H new ATOM 0 HE2 LYS A 28 -8.425 -0.549 11.571 1.00 65.04 H new ATOM 0 HE3 LYS A 28 -6.982 -0.893 10.639 1.00 65.04 H new ATOM 0 HZ1 LYS A 28 -8.427 -2.816 10.756 1.00 34.52 H new ATOM 0 HZ2 LYS A 28 -6.962 -3.143 11.550 1.00 34.52 H new ATOM 0 HZ3 LYS A 28 -8.361 -2.810 12.453 1.00 34.52 H new ATOM 421 N LYS A 29 -2.873 -4.613 11.999 1.00 24.03 N ATOM 422 CA LYS A 29 -2.507 -5.842 11.305 1.00 4.40 C ATOM 423 C LYS A 29 -2.425 -7.013 12.278 1.00 64.03 C ATOM 424 O LYS A 29 -2.824 -8.132 11.953 1.00 30.01 O ATOM 425 CB LYS A 29 -1.165 -5.666 10.588 1.00 34.11 C ATOM 426 CG LYS A 29 -0.917 -4.249 10.100 1.00 14.04 C ATOM 427 CD LYS A 29 0.434 -4.122 9.417 1.00 32.42 C ATOM 428 CE LYS A 29 0.774 -2.670 9.120 1.00 23.01 C ATOM 429 NZ LYS A 29 2.198 -2.360 9.428 1.00 71.10 N ATOM 0 H LYS A 29 -2.133 -4.223 12.583 1.00 24.03 H new ATOM 0 HA LYS A 29 -3.281 -6.058 10.569 1.00 4.40 H new ATOM 0 HB2 LYS A 29 -0.361 -5.954 11.265 1.00 34.11 H new ATOM 0 HB3 LYS A 29 -1.125 -6.346 9.737 1.00 34.11 H new ATOM 0 HG2 LYS A 29 -1.705 -3.959 9.405 1.00 14.04 H new ATOM 0 HG3 LYS A 29 -0.966 -3.559 10.943 1.00 14.04 H new ATOM 0 HD2 LYS A 29 1.206 -4.555 10.053 1.00 32.42 H new ATOM 0 HD3 LYS A 29 0.429 -4.693 8.488 1.00 32.42 H new ATOM 0 HE2 LYS A 29 0.575 -2.458 8.070 1.00 23.01 H new ATOM 0 HE3 LYS A 29 0.125 -2.018 9.705 1.00 23.01 H new ATOM 0 HZ1 LYS A 29 2.244 -1.699 10.230 1.00 71.10 H new ATOM 0 HZ2 LYS A 29 2.699 -3.238 9.674 1.00 71.10 H new ATOM 0 HZ3 LYS A 29 2.647 -1.926 8.596 1.00 71.10 H new ATOM 443 N ARG A 30 -1.906 -6.749 13.473 1.00 14.20 N ATOM 444 CA ARG A 30 -1.773 -7.782 14.493 1.00 22.03 C ATOM 445 C ARG A 30 -1.614 -7.161 15.878 1.00 4.50 C ATOM 446 O ARG A 30 -1.730 -5.947 16.042 1.00 44.41 O ATOM 447 CB ARG A 30 -0.574 -8.682 14.185 1.00 20.24 C ATOM 448 CG ARG A 30 0.725 -7.918 13.990 1.00 65.32 C ATOM 449 CD ARG A 30 1.464 -8.385 12.746 1.00 54.43 C ATOM 450 NE ARG A 30 1.602 -9.838 12.704 1.00 52.53 N ATOM 451 CZ ARG A 30 2.530 -10.509 13.376 1.00 3.45 C ATOM 452 NH1 ARG A 30 3.399 -9.859 14.139 1.00 50.11 N ATOM 453 NH2 ARG A 30 2.592 -11.831 13.286 1.00 11.32 N ATOM 0 H ARG A 30 -1.571 -5.829 13.758 1.00 14.20 H new ATOM 0 HA ARG A 30 -2.682 -8.384 14.485 1.00 22.03 H new ATOM 0 HB2 ARG A 30 -0.447 -9.396 14.999 1.00 20.24 H new ATOM 0 HB3 ARG A 30 -0.785 -9.259 13.285 1.00 20.24 H new ATOM 0 HG2 ARG A 30 0.513 -6.852 13.910 1.00 65.32 H new ATOM 0 HG3 ARG A 30 1.362 -8.051 14.865 1.00 65.32 H new ATOM 0 HD2 ARG A 30 0.930 -8.046 11.858 1.00 54.43 H new ATOM 0 HD3 ARG A 30 2.452 -7.926 12.718 1.00 54.43 H new ATOM 0 HE ARG A 30 0.949 -10.367 12.126 1.00 52.53 H new ATOM 0 HH11 ARG A 30 3.355 -8.842 14.210 1.00 50.11 H new ATOM 0 HH12 ARG A 30 4.111 -10.376 14.655 1.00 50.11 H new ATOM 0 HH21 ARG A 30 1.926 -12.334 12.700 1.00 11.32 H new ATOM 0 HH22 ARG A 30 3.306 -12.344 13.803 1.00 11.32 H new ATOM 467 N ALA A 31 -1.349 -8.003 16.871 1.00 11.24 N ATOM 468 CA ALA A 31 -1.173 -7.537 18.241 1.00 3.41 C ATOM 469 C ALA A 31 0.254 -7.778 18.724 1.00 72.11 C ATOM 470 O ALA A 31 0.584 -8.866 19.197 1.00 55.12 O ATOM 471 CB ALA A 31 -2.168 -8.224 19.164 1.00 21.33 C ATOM 0 H ALA A 31 -1.251 -9.011 16.753 1.00 11.24 H new ATOM 0 HA ALA A 31 -1.358 -6.463 18.260 1.00 3.41 H new ATOM 0 HB1 ALA A 31 -2.025 -7.867 20.184 1.00 21.33 H new ATOM 0 HB2 ALA A 31 -3.183 -7.997 18.839 1.00 21.33 H new ATOM 0 HB3 ALA A 31 -2.010 -9.302 19.132 1.00 21.33 H new ATOM 477 N ILE A 32 1.095 -6.757 18.601 1.00 10.12 N ATOM 478 CA ILE A 32 2.486 -6.858 19.025 1.00 63.31 C ATOM 479 C ILE A 32 2.901 -5.642 19.847 1.00 62.50 C ATOM 480 O ILE A 32 3.164 -4.571 19.301 1.00 20.24 O ATOM 481 CB ILE A 32 3.434 -6.997 17.819 1.00 61.41 C ATOM 482 CG1 ILE A 32 4.892 -6.901 18.275 1.00 34.15 C ATOM 483 CG2 ILE A 32 3.127 -5.930 16.780 1.00 74.35 C ATOM 484 CD1 ILE A 32 5.262 -7.913 19.336 1.00 54.03 C ATOM 0 H ILE A 32 0.838 -5.850 18.211 1.00 10.12 H new ATOM 0 HA ILE A 32 2.563 -7.753 19.642 1.00 63.31 H new ATOM 0 HB ILE A 32 3.279 -7.975 17.364 1.00 61.41 H new ATOM 0 HG12 ILE A 32 5.544 -7.037 17.412 1.00 34.15 H new ATOM 0 HG13 ILE A 32 5.078 -5.898 18.660 1.00 34.15 H new ATOM 0 HG21 ILE A 32 3.805 -6.041 15.934 1.00 74.35 H new ATOM 0 HG22 ILE A 32 2.098 -6.041 16.438 1.00 74.35 H new ATOM 0 HG23 ILE A 32 3.258 -4.943 17.223 1.00 74.35 H new ATOM 0 HD11 ILE A 32 6.309 -7.786 19.611 1.00 54.03 H new ATOM 0 HD12 ILE A 32 4.636 -7.764 20.215 1.00 54.03 H new ATOM 0 HD13 ILE A 32 5.108 -8.920 18.948 1.00 54.03 H new ATOM 496 N LYS A 33 2.959 -5.816 21.163 1.00 61.41 N ATOM 497 CA LYS A 33 3.345 -4.735 22.062 1.00 75.01 C ATOM 498 C LYS A 33 4.861 -4.583 22.111 1.00 42.20 C ATOM 499 O LYS A 33 5.555 -5.387 22.730 1.00 24.53 O ATOM 500 CB LYS A 33 2.802 -4.996 23.469 1.00 41.21 C ATOM 501 CG LYS A 33 3.165 -6.366 24.016 1.00 34.44 C ATOM 502 CD LYS A 33 1.930 -7.132 24.462 1.00 42.31 C ATOM 503 CE LYS A 33 1.649 -6.924 25.942 1.00 3.01 C ATOM 504 NZ LYS A 33 0.731 -7.963 26.485 1.00 61.11 N ATOM 0 H LYS A 33 2.743 -6.696 21.631 1.00 61.41 H new ATOM 0 HA LYS A 33 2.917 -3.808 21.680 1.00 75.01 H new ATOM 0 HB2 LYS A 33 3.185 -4.231 24.145 1.00 41.21 H new ATOM 0 HB3 LYS A 33 1.717 -4.895 23.455 1.00 41.21 H new ATOM 0 HG2 LYS A 33 3.692 -6.937 23.251 1.00 34.44 H new ATOM 0 HG3 LYS A 33 3.849 -6.254 24.858 1.00 34.44 H new ATOM 0 HD2 LYS A 33 1.069 -6.807 23.878 1.00 42.31 H new ATOM 0 HD3 LYS A 33 2.068 -8.195 24.263 1.00 42.31 H new ATOM 0 HE2 LYS A 33 2.588 -6.944 26.496 1.00 3.01 H new ATOM 0 HE3 LYS A 33 1.211 -5.938 26.093 1.00 3.01 H new ATOM 0 HZ1 LYS A 33 0.565 -7.785 27.496 1.00 61.11 H new ATOM 0 HZ2 LYS A 33 -0.174 -7.928 25.974 1.00 61.11 H new ATOM 0 HZ3 LYS A 33 1.160 -8.903 26.365 1.00 61.11 H new ATOM 518 N ASN A 34 5.369 -3.546 21.453 1.00 52.34 N ATOM 519 CA ASN A 34 6.804 -3.288 21.422 1.00 72.22 C ATOM 520 C ASN A 34 7.116 -1.885 21.933 1.00 50.12 C ATOM 521 O ASN A 34 6.947 -0.901 21.214 1.00 12.41 O ATOM 522 CB ASN A 34 7.344 -3.457 20.001 1.00 72.24 C ATOM 523 CG ASN A 34 7.277 -4.895 19.524 1.00 32.21 C ATOM 524 OD1 ASN A 34 7.183 -5.823 20.327 1.00 24.40 O ATOM 525 ND2 ASN A 34 7.326 -5.087 18.211 1.00 10.44 N ATOM 0 H ASN A 34 4.808 -2.871 20.934 1.00 52.34 H new ATOM 0 HA ASN A 34 7.291 -4.011 22.077 1.00 72.22 H new ATOM 0 HB2 ASN A 34 6.773 -2.825 19.321 1.00 72.24 H new ATOM 0 HB3 ASN A 34 8.378 -3.113 19.965 1.00 72.24 H new ATOM 0 HD21 ASN A 34 7.286 -6.033 17.832 1.00 10.44 H new ATOM 0 HD22 ASN A 34 7.404 -4.288 17.581 1.00 10.44 H new ATOM 532 N GLU A 35 7.572 -1.802 23.179 1.00 2.12 N ATOM 533 CA GLU A 35 7.908 -0.519 23.785 1.00 35.40 C ATOM 534 C GLU A 35 9.223 0.019 23.229 1.00 51.24 C ATOM 535 O GLU A 35 9.344 1.209 22.939 1.00 2.30 O ATOM 536 CB GLU A 35 8.003 -0.658 25.306 1.00 45.41 C ATOM 537 CG GLU A 35 6.661 -0.569 26.011 1.00 33.24 C ATOM 538 CD GLU A 35 5.916 0.712 25.688 1.00 72.21 C ATOM 539 OE1 GLU A 35 6.556 1.783 25.668 1.00 43.51 O ATOM 540 OE2 GLU A 35 4.690 0.641 25.454 1.00 5.23 O ATOM 0 H GLU A 35 7.717 -2.607 23.788 1.00 2.12 H new ATOM 0 HA GLU A 35 7.115 0.188 23.540 1.00 35.40 H new ATOM 0 HB2 GLU A 35 8.467 -1.614 25.546 1.00 45.41 H new ATOM 0 HB3 GLU A 35 8.659 0.121 25.693 1.00 45.41 H new ATOM 0 HG2 GLU A 35 6.047 -1.424 25.726 1.00 33.24 H new ATOM 0 HG3 GLU A 35 6.816 -0.633 27.088 1.00 33.24 H new ATOM 547 N GLN A 36 10.203 -0.866 23.083 1.00 44.32 N ATOM 548 CA GLN A 36 11.510 -0.480 22.563 1.00 55.05 C ATOM 549 C GLN A 36 11.433 -0.181 21.069 1.00 2.13 C ATOM 550 O GLN A 36 11.923 0.851 20.607 1.00 51.51 O ATOM 551 CB GLN A 36 12.533 -1.588 22.822 1.00 52.32 C ATOM 552 CG GLN A 36 13.942 -1.071 23.058 1.00 22.41 C ATOM 553 CD GLN A 36 14.935 -1.596 22.040 1.00 63.14 C ATOM 554 OE1 GLN A 36 14.956 -1.154 20.890 1.00 22.53 O ATOM 555 NE2 GLN A 36 15.765 -2.545 22.457 1.00 4.44 N ATOM 0 H GLN A 36 10.117 -1.855 23.317 1.00 44.32 H new ATOM 0 HA GLN A 36 11.827 0.425 23.081 1.00 55.05 H new ATOM 0 HB2 GLN A 36 12.217 -2.167 23.690 1.00 52.32 H new ATOM 0 HB3 GLN A 36 12.542 -2.269 21.971 1.00 52.32 H new ATOM 0 HG2 GLN A 36 13.935 0.018 23.025 1.00 22.41 H new ATOM 0 HG3 GLN A 36 14.267 -1.357 24.058 1.00 22.41 H new ATOM 0 HE21 GLN A 36 15.713 -2.882 23.418 1.00 4.44 H new ATOM 0 HE22 GLN A 36 16.455 -2.937 21.816 1.00 4.44 H new ATOM 564 N LEU A 37 10.818 -1.087 20.320 1.00 43.02 N ATOM 565 CA LEU A 37 10.679 -0.920 18.877 1.00 75.34 C ATOM 566 C LEU A 37 9.861 0.325 18.550 1.00 44.12 C ATOM 567 O LEU A 37 10.150 1.035 17.585 1.00 71.55 O ATOM 568 CB LEU A 37 10.015 -2.154 18.263 1.00 64.21 C ATOM 569 CG LEU A 37 10.286 -2.392 16.776 1.00 31.13 C ATOM 570 CD1 LEU A 37 11.635 -3.066 16.580 1.00 21.43 C ATOM 571 CD2 LEU A 37 9.175 -3.229 16.160 1.00 44.22 C ATOM 0 H LEU A 37 10.407 -1.946 20.687 1.00 43.02 H new ATOM 0 HA LEU A 37 11.676 -0.801 18.452 1.00 75.34 H new ATOM 0 HB2 LEU A 37 10.345 -3.033 18.817 1.00 64.21 H new ATOM 0 HB3 LEU A 37 8.938 -2.072 18.407 1.00 64.21 H new ATOM 0 HG LEU A 37 10.309 -1.426 16.271 1.00 31.13 H new ATOM 0 HD11 LEU A 37 11.810 -3.227 15.516 1.00 21.43 H new ATOM 0 HD12 LEU A 37 12.422 -2.430 16.985 1.00 21.43 H new ATOM 0 HD13 LEU A 37 11.641 -4.025 17.098 1.00 21.43 H new ATOM 0 HD21 LEU A 37 9.384 -3.389 15.102 1.00 44.22 H new ATOM 0 HD22 LEU A 37 9.120 -4.192 16.668 1.00 44.22 H new ATOM 0 HD23 LEU A 37 8.224 -2.707 16.267 1.00 44.22 H new ATOM 583 N LEU A 38 8.841 0.586 19.360 1.00 11.51 N ATOM 584 CA LEU A 38 7.983 1.749 19.158 1.00 41.33 C ATOM 585 C LEU A 38 8.778 3.043 19.294 1.00 3.41 C ATOM 586 O LEU A 38 8.682 3.933 18.448 1.00 64.34 O ATOM 587 CB LEU A 38 6.830 1.738 20.164 1.00 62.43 C ATOM 588 CG LEU A 38 5.923 2.968 20.159 1.00 33.41 C ATOM 589 CD1 LEU A 38 6.513 4.071 21.023 1.00 23.33 C ATOM 590 CD2 LEU A 38 5.702 3.462 18.737 1.00 64.21 C ATOM 0 H LEU A 38 8.588 0.009 20.162 1.00 11.51 H new ATOM 0 HA LEU A 38 7.577 1.698 18.148 1.00 41.33 H new ATOM 0 HB2 LEU A 38 6.216 0.858 19.973 1.00 62.43 H new ATOM 0 HB3 LEU A 38 7.248 1.624 21.164 1.00 62.43 H new ATOM 0 HG LEU A 38 4.957 2.685 20.578 1.00 33.41 H new ATOM 0 HD11 LEU A 38 5.853 4.938 21.007 1.00 23.33 H new ATOM 0 HD12 LEU A 38 6.618 3.714 22.047 1.00 23.33 H new ATOM 0 HD13 LEU A 38 7.492 4.353 20.635 1.00 23.33 H new ATOM 0 HD21 LEU A 38 5.054 4.338 18.753 1.00 64.21 H new ATOM 0 HD22 LEU A 38 6.660 3.728 18.291 1.00 64.21 H new ATOM 0 HD23 LEU A 38 5.233 2.675 18.147 1.00 64.21 H new ATOM 602 N GLN A 39 9.563 3.140 20.361 1.00 5.34 N ATOM 603 CA GLN A 39 10.377 4.326 20.606 1.00 73.11 C ATOM 604 C GLN A 39 11.416 4.509 19.506 1.00 13.21 C ATOM 605 O GLN A 39 11.534 5.587 18.920 1.00 35.44 O ATOM 606 CB GLN A 39 11.068 4.224 21.966 1.00 23.33 C ATOM 607 CG GLN A 39 11.062 5.525 22.752 1.00 74.03 C ATOM 608 CD GLN A 39 12.173 6.467 22.329 1.00 32.23 C ATOM 609 OE1 GLN A 39 12.570 6.495 21.164 1.00 72.24 O ATOM 610 NE2 GLN A 39 12.682 7.245 23.278 1.00 64.12 N ATOM 0 H GLN A 39 9.653 2.412 21.070 1.00 5.34 H new ATOM 0 HA GLN A 39 9.718 5.195 20.606 1.00 73.11 H new ATOM 0 HB2 GLN A 39 10.577 3.451 22.556 1.00 23.33 H new ATOM 0 HB3 GLN A 39 12.099 3.904 21.817 1.00 23.33 H new ATOM 0 HG2 GLN A 39 10.100 6.021 22.620 1.00 74.03 H new ATOM 0 HG3 GLN A 39 11.163 5.304 23.815 1.00 74.03 H new ATOM 0 HE21 GLN A 39 12.323 7.189 24.231 1.00 64.12 H new ATOM 0 HE22 GLN A 39 13.432 7.899 23.054 1.00 64.12 H new ATOM 619 N LEU A 40 12.170 3.451 19.229 1.00 63.33 N ATOM 620 CA LEU A 40 13.202 3.494 18.198 1.00 15.35 C ATOM 621 C LEU A 40 12.594 3.799 16.832 1.00 24.15 C ATOM 622 O LEU A 40 13.037 4.714 16.136 1.00 53.12 O ATOM 623 CB LEU A 40 13.957 2.166 18.148 1.00 31.51 C ATOM 624 CG LEU A 40 15.467 2.260 17.926 1.00 31.44 C ATOM 625 CD1 LEU A 40 16.073 0.872 17.782 1.00 34.03 C ATOM 626 CD2 LEU A 40 15.774 3.107 16.700 1.00 34.22 C ATOM 0 H LEU A 40 12.086 2.552 19.704 1.00 63.33 H new ATOM 0 HA LEU A 40 13.900 4.292 18.451 1.00 15.35 H new ATOM 0 HB2 LEU A 40 13.780 1.635 19.083 1.00 31.51 H new ATOM 0 HB3 LEU A 40 13.530 1.558 17.350 1.00 31.51 H new ATOM 0 HG LEU A 40 15.913 2.741 18.796 1.00 31.44 H new ATOM 0 HD11 LEU A 40 17.148 0.959 17.625 1.00 34.03 H new ATOM 0 HD12 LEU A 40 15.884 0.297 18.688 1.00 34.03 H new ATOM 0 HD13 LEU A 40 15.621 0.364 16.930 1.00 34.03 H new ATOM 0 HD21 LEU A 40 16.853 3.163 16.557 1.00 34.22 H new ATOM 0 HD22 LEU A 40 15.315 2.655 15.821 1.00 34.22 H new ATOM 0 HD23 LEU A 40 15.374 4.111 16.842 1.00 34.22 H new ATOM 638 N ILE A 41 11.579 3.030 16.458 1.00 53.14 N ATOM 639 CA ILE A 41 10.909 3.220 15.177 1.00 33.30 C ATOM 640 C ILE A 41 10.264 4.599 15.094 1.00 1.54 C ATOM 641 O ILE A 41 10.192 5.199 14.020 1.00 23.22 O ATOM 642 CB ILE A 41 9.830 2.147 14.942 1.00 41.14 C ATOM 643 CG1 ILE A 41 10.479 0.776 14.738 1.00 2.12 C ATOM 644 CG2 ILE A 41 8.970 2.514 13.742 1.00 51.41 C ATOM 645 CD1 ILE A 41 11.310 0.682 13.479 1.00 50.42 C ATOM 0 H ILE A 41 11.202 2.269 17.023 1.00 53.14 H new ATOM 0 HA ILE A 41 11.673 3.131 14.405 1.00 33.30 H new ATOM 0 HB ILE A 41 9.190 2.099 15.823 1.00 41.14 H new ATOM 0 HG12 ILE A 41 11.110 0.550 15.598 1.00 2.12 H new ATOM 0 HG13 ILE A 41 9.699 0.015 14.706 1.00 2.12 H new ATOM 0 HG21 ILE A 41 8.212 1.746 13.589 1.00 51.41 H new ATOM 0 HG22 ILE A 41 8.484 3.473 13.922 1.00 51.41 H new ATOM 0 HG23 ILE A 41 9.597 2.587 12.854 1.00 51.41 H new ATOM 0 HD11 ILE A 41 11.739 -0.317 13.400 1.00 50.42 H new ATOM 0 HD12 ILE A 41 10.679 0.876 12.611 1.00 50.42 H new ATOM 0 HD13 ILE A 41 12.112 1.419 13.516 1.00 50.42 H new ATOM 657 N PHE A 42 9.797 5.099 16.233 1.00 65.33 N ATOM 658 CA PHE A 42 9.159 6.409 16.290 1.00 63.11 C ATOM 659 C PHE A 42 10.115 7.500 15.817 1.00 71.02 C ATOM 660 O PHE A 42 9.783 8.293 14.935 1.00 42.14 O ATOM 661 CB PHE A 42 8.690 6.710 17.714 1.00 35.32 C ATOM 662 CG PHE A 42 8.328 8.150 17.935 1.00 14.32 C ATOM 663 CD1 PHE A 42 7.336 8.754 17.178 1.00 21.33 C ATOM 664 CD2 PHE A 42 8.981 8.903 18.898 1.00 74.41 C ATOM 665 CE1 PHE A 42 7.002 10.080 17.378 1.00 34.53 C ATOM 666 CE2 PHE A 42 8.650 10.229 19.104 1.00 45.13 C ATOM 667 CZ PHE A 42 7.660 10.818 18.342 1.00 2.50 C ATOM 0 H PHE A 42 9.848 4.616 17.130 1.00 65.33 H new ATOM 0 HA PHE A 42 8.295 6.394 15.626 1.00 63.11 H new ATOM 0 HB2 PHE A 42 7.825 6.087 17.942 1.00 35.32 H new ATOM 0 HB3 PHE A 42 9.477 6.430 18.414 1.00 35.32 H new ATOM 0 HD1 PHE A 42 6.818 8.181 16.423 1.00 21.33 H new ATOM 0 HD2 PHE A 42 9.758 8.448 19.495 1.00 74.41 H new ATOM 0 HE1 PHE A 42 6.227 10.538 16.781 1.00 34.53 H new ATOM 0 HE2 PHE A 42 9.165 10.804 19.860 1.00 45.13 H new ATOM 0 HZ PHE A 42 7.401 11.854 18.500 1.00 2.50 H new ATOM 677 N LYS A 43 11.303 7.535 16.409 1.00 0.41 N ATOM 678 CA LYS A 43 12.310 8.527 16.050 1.00 54.42 C ATOM 679 C LYS A 43 12.905 8.227 14.678 1.00 73.45 C ATOM 680 O LYS A 43 13.286 9.137 13.942 1.00 1.02 O ATOM 681 CB LYS A 43 13.419 8.563 17.102 1.00 1.41 C ATOM 682 CG LYS A 43 13.757 9.964 17.582 1.00 0.10 C ATOM 683 CD LYS A 43 14.545 9.934 18.881 1.00 42.12 C ATOM 684 CE LYS A 43 16.044 9.891 18.623 1.00 10.03 C ATOM 685 NZ LYS A 43 16.780 9.232 19.737 1.00 1.01 N ATOM 0 H LYS A 43 11.593 6.887 17.141 1.00 0.41 H new ATOM 0 HA LYS A 43 11.824 9.502 16.010 1.00 54.42 H new ATOM 0 HB2 LYS A 43 13.117 7.958 17.957 1.00 1.41 H new ATOM 0 HB3 LYS A 43 14.316 8.104 16.688 1.00 1.41 H new ATOM 0 HG2 LYS A 43 14.335 10.482 16.817 1.00 0.10 H new ATOM 0 HG3 LYS A 43 12.838 10.532 17.726 1.00 0.10 H new ATOM 0 HD2 LYS A 43 14.302 10.815 19.475 1.00 42.12 H new ATOM 0 HD3 LYS A 43 14.250 9.063 19.466 1.00 42.12 H new ATOM 0 HE2 LYS A 43 16.237 9.356 17.693 1.00 10.03 H new ATOM 0 HE3 LYS A 43 16.419 10.906 18.490 1.00 10.03 H new ATOM 0 HZ1 LYS A 43 17.798 9.223 19.523 1.00 1.01 H new ATOM 0 HZ2 LYS A 43 16.616 9.757 20.620 1.00 1.01 H new ATOM 0 HZ3 LYS A 43 16.441 8.255 19.847 1.00 1.01 H new ATOM 699 N SER A 44 12.980 6.943 14.338 1.00 34.33 N ATOM 700 CA SER A 44 13.530 6.522 13.056 1.00 3.41 C ATOM 701 C SER A 44 12.634 6.970 11.906 1.00 32.25 C ATOM 702 O SER A 44 13.098 7.585 10.946 1.00 43.43 O ATOM 703 CB SER A 44 13.699 5.002 13.024 1.00 10.41 C ATOM 704 OG SER A 44 14.973 4.620 13.514 1.00 72.33 O ATOM 0 H SER A 44 12.666 6.177 14.934 1.00 34.33 H new ATOM 0 HA SER A 44 14.506 6.992 12.936 1.00 3.41 H new ATOM 0 HB2 SER A 44 12.919 4.534 13.625 1.00 10.41 H new ATOM 0 HB3 SER A 44 13.575 4.641 12.003 1.00 10.41 H new ATOM 0 HG SER A 44 15.056 3.644 13.485 1.00 72.33 H new ATOM 710 N ILE A 45 11.347 6.659 12.012 1.00 31.21 N ATOM 711 CA ILE A 45 10.384 7.030 10.983 1.00 0.31 C ATOM 712 C ILE A 45 10.212 8.544 10.911 1.00 43.41 C ATOM 713 O ILE A 45 9.858 9.090 9.865 1.00 4.32 O ATOM 714 CB ILE A 45 9.011 6.381 11.236 1.00 73.22 C ATOM 715 CG1 ILE A 45 9.113 4.859 11.125 1.00 23.24 C ATOM 716 CG2 ILE A 45 7.980 6.921 10.255 1.00 45.42 C ATOM 717 CD1 ILE A 45 7.790 4.149 11.305 1.00 24.22 C ATOM 0 H ILE A 45 10.947 6.151 12.801 1.00 31.21 H new ATOM 0 HA ILE A 45 10.780 6.666 10.035 1.00 0.31 H new ATOM 0 HB ILE A 45 8.689 6.632 12.247 1.00 73.22 H new ATOM 0 HG12 ILE A 45 9.524 4.601 10.149 1.00 23.24 H new ATOM 0 HG13 ILE A 45 9.816 4.495 11.874 1.00 23.24 H new ATOM 0 HG21 ILE A 45 7.015 6.452 10.447 1.00 45.42 H new ATOM 0 HG22 ILE A 45 7.890 8.000 10.379 1.00 45.42 H new ATOM 0 HG23 ILE A 45 8.296 6.698 9.236 1.00 45.42 H new ATOM 0 HD11 ILE A 45 7.939 3.073 11.213 1.00 24.22 H new ATOM 0 HD12 ILE A 45 7.386 4.377 12.291 1.00 24.22 H new ATOM 0 HD13 ILE A 45 7.090 4.485 10.540 1.00 24.22 H new ATOM 729 N ASP A 46 10.467 9.217 12.027 1.00 64.43 N ATOM 730 CA ASP A 46 10.344 10.668 12.090 1.00 33.35 C ATOM 731 C ASP A 46 11.651 11.342 11.686 1.00 13.33 C ATOM 732 O ASP A 46 12.696 11.107 12.291 1.00 20.44 O ATOM 733 CB ASP A 46 9.945 11.106 13.501 1.00 14.13 C ATOM 734 CG ASP A 46 9.133 12.387 13.501 1.00 52.50 C ATOM 735 OD1 ASP A 46 9.277 13.181 12.547 1.00 53.03 O ATOM 736 OD2 ASP A 46 8.354 12.596 14.455 1.00 42.15 O ATOM 0 H ASP A 46 10.760 8.781 12.901 1.00 64.43 H new ATOM 0 HA ASP A 46 9.567 10.973 11.389 1.00 33.35 H new ATOM 0 HB2 ASP A 46 9.367 10.313 13.975 1.00 14.13 H new ATOM 0 HB3 ASP A 46 10.843 11.248 14.102 1.00 14.13 H new ATOM 741 N ALA A 47 11.584 12.181 10.658 1.00 52.30 N ATOM 742 CA ALA A 47 12.762 12.891 10.172 1.00 63.21 C ATOM 743 C ALA A 47 13.315 13.830 11.239 1.00 62.04 C ATOM 744 O ALA A 47 14.526 13.904 11.446 1.00 25.12 O ATOM 745 CB ALA A 47 12.427 13.665 8.906 1.00 41.02 C ATOM 0 H ALA A 47 10.727 12.386 10.145 1.00 52.30 H new ATOM 0 HA ALA A 47 13.531 12.154 9.940 1.00 63.21 H new ATOM 0 HB1 ALA A 47 13.315 14.190 8.555 1.00 41.02 H new ATOM 0 HB2 ALA A 47 12.086 12.973 8.136 1.00 41.02 H new ATOM 0 HB3 ALA A 47 11.639 14.388 9.119 1.00 41.02 H new ATOM 751 N ASP A 48 12.421 14.545 11.911 1.00 11.55 N ATOM 752 CA ASP A 48 12.820 15.481 12.957 1.00 65.42 C ATOM 753 C ASP A 48 12.434 14.952 14.335 1.00 42.31 C ATOM 754 O ASP A 48 12.927 15.430 15.355 1.00 11.34 O ATOM 755 CB ASP A 48 12.175 16.847 12.723 1.00 2.32 C ATOM 756 CG ASP A 48 10.663 16.770 12.653 1.00 61.31 C ATOM 757 OD1 ASP A 48 10.120 15.654 12.795 1.00 71.34 O ATOM 758 OD2 ASP A 48 10.022 17.823 12.457 1.00 1.40 O ATOM 0 H ASP A 48 11.415 14.495 11.751 1.00 11.55 H new ATOM 0 HA ASP A 48 13.904 15.589 12.919 1.00 65.42 H new ATOM 0 HB2 ASP A 48 12.464 17.524 13.526 1.00 2.32 H new ATOM 0 HB3 ASP A 48 12.557 17.272 11.795 1.00 2.32 H new ATOM 763 N GLY A 49 11.549 13.960 14.355 1.00 31.45 N ATOM 764 CA GLY A 49 11.110 13.383 15.614 1.00 2.34 C ATOM 765 C GLY A 49 10.474 14.409 16.531 1.00 52.01 C ATOM 766 O GLY A 49 10.594 14.319 17.752 1.00 72.23 O ATOM 0 H GLY A 49 11.128 13.546 13.523 1.00 31.45 H new ATOM 0 HA2 GLY A 49 10.395 12.585 15.415 1.00 2.34 H new ATOM 0 HA3 GLY A 49 11.962 12.928 16.119 1.00 2.34 H new ATOM 770 N ASN A 50 9.794 15.387 15.940 1.00 62.41 N ATOM 771 CA ASN A 50 9.137 16.435 16.713 1.00 72.12 C ATOM 772 C ASN A 50 7.746 15.992 17.158 1.00 24.12 C ATOM 773 O ASN A 50 6.743 16.360 16.550 1.00 73.44 O ATOM 774 CB ASN A 50 9.035 17.719 15.887 1.00 64.43 C ATOM 775 CG ASN A 50 8.269 17.515 14.594 1.00 71.10 C ATOM 776 OD1 ASN A 50 8.047 16.384 14.163 1.00 0.52 O ATOM 777 ND2 ASN A 50 7.861 18.614 13.969 1.00 22.14 N ATOM 0 H ASN A 50 9.684 15.475 14.930 1.00 62.41 H new ATOM 0 HA ASN A 50 9.739 16.629 17.601 1.00 72.12 H new ATOM 0 HB2 ASN A 50 8.544 18.491 16.479 1.00 64.43 H new ATOM 0 HB3 ASN A 50 10.037 18.082 15.659 1.00 64.43 H new ATOM 0 HD21 ASN A 50 7.341 18.540 13.095 1.00 22.14 H new ATOM 0 HD22 ASN A 50 8.068 19.532 14.363 1.00 22.14 H new ATOM 784 N GLY A 51 7.696 15.201 18.225 1.00 63.32 N ATOM 785 CA GLY A 51 6.425 14.720 18.735 1.00 41.41 C ATOM 786 C GLY A 51 5.763 13.728 17.799 1.00 43.44 C ATOM 787 O GLY A 51 5.277 12.685 18.234 1.00 32.20 O ATOM 0 H GLY A 51 8.514 14.884 18.746 1.00 63.32 H new ATOM 0 HA2 GLY A 51 6.581 14.250 19.706 1.00 41.41 H new ATOM 0 HA3 GLY A 51 5.757 15.566 18.894 1.00 41.41 H new ATOM 791 N GLU A 52 5.743 14.054 16.511 1.00 53.40 N ATOM 792 CA GLU A 52 5.133 13.184 15.512 1.00 50.23 C ATOM 793 C GLU A 52 5.785 13.382 14.147 1.00 51.22 C ATOM 794 O GLU A 52 6.511 14.352 13.928 1.00 23.14 O ATOM 795 CB GLU A 52 3.631 13.457 15.416 1.00 32.21 C ATOM 796 CG GLU A 52 3.280 14.935 15.401 1.00 33.31 C ATOM 797 CD GLU A 52 4.141 15.730 14.440 1.00 4.51 C ATOM 798 OE1 GLU A 52 4.148 15.399 13.236 1.00 43.22 O ATOM 799 OE2 GLU A 52 4.810 16.683 14.892 1.00 32.22 O ATOM 0 H GLU A 52 6.142 14.914 16.134 1.00 53.40 H new ATOM 0 HA GLU A 52 5.289 12.151 15.823 1.00 50.23 H new ATOM 0 HB2 GLU A 52 3.243 12.991 14.510 1.00 32.21 H new ATOM 0 HB3 GLU A 52 3.129 12.982 16.259 1.00 32.21 H new ATOM 0 HG2 GLU A 52 2.232 15.053 15.126 1.00 33.31 H new ATOM 0 HG3 GLU A 52 3.394 15.342 16.406 1.00 33.31 H new ATOM 806 N ILE A 53 5.521 12.454 13.232 1.00 4.41 N ATOM 807 CA ILE A 53 6.083 12.527 11.889 1.00 72.12 C ATOM 808 C ILE A 53 5.106 13.184 10.920 1.00 12.14 C ATOM 809 O ILE A 53 3.948 12.778 10.818 1.00 2.20 O ATOM 810 CB ILE A 53 6.452 11.128 11.357 1.00 15.32 C ATOM 811 CG1 ILE A 53 7.050 10.275 12.476 1.00 73.40 C ATOM 812 CG2 ILE A 53 7.425 11.245 10.194 1.00 52.20 C ATOM 813 CD1 ILE A 53 6.125 9.180 12.962 1.00 12.31 C ATOM 0 H ILE A 53 4.923 11.645 13.396 1.00 4.41 H new ATOM 0 HA ILE A 53 6.987 13.132 11.957 1.00 72.12 H new ATOM 0 HB ILE A 53 5.546 10.640 10.999 1.00 15.32 H new ATOM 0 HG12 ILE A 53 7.978 9.825 12.123 1.00 73.40 H new ATOM 0 HG13 ILE A 53 7.308 10.921 13.315 1.00 73.40 H new ATOM 0 HG21 ILE A 53 7.677 10.249 9.829 1.00 52.20 H new ATOM 0 HG22 ILE A 53 6.965 11.821 9.391 1.00 52.20 H new ATOM 0 HG23 ILE A 53 8.332 11.749 10.528 1.00 52.20 H new ATOM 0 HD11 ILE A 53 6.615 8.615 13.755 1.00 12.31 H new ATOM 0 HD12 ILE A 53 5.206 9.624 13.346 1.00 12.31 H new ATOM 0 HD13 ILE A 53 5.887 8.511 12.135 1.00 12.31 H new ATOM 825 N ASP A 54 5.581 14.203 10.210 1.00 73.31 N ATOM 826 CA ASP A 54 4.750 14.916 9.247 1.00 12.25 C ATOM 827 C ASP A 54 4.650 14.142 7.937 1.00 45.30 C ATOM 828 O ASP A 54 5.485 13.285 7.647 1.00 23.13 O ATOM 829 CB ASP A 54 5.318 16.312 8.987 1.00 45.01 C ATOM 830 CG ASP A 54 5.821 16.978 10.253 1.00 71.45 C ATOM 831 OD1 ASP A 54 5.274 16.682 11.336 1.00 74.43 O ATOM 832 OD2 ASP A 54 6.761 17.796 10.161 1.00 33.42 O ATOM 0 H ASP A 54 6.536 14.553 10.284 1.00 73.31 H new ATOM 0 HA ASP A 54 3.749 15.012 9.668 1.00 12.25 H new ATOM 0 HB2 ASP A 54 6.135 16.241 8.268 1.00 45.01 H new ATOM 0 HB3 ASP A 54 4.548 16.936 8.533 1.00 45.01 H new ATOM 837 N GLN A 55 3.624 14.449 7.150 1.00 13.13 N ATOM 838 CA GLN A 55 3.415 13.781 5.872 1.00 70.45 C ATOM 839 C GLN A 55 4.657 13.886 4.992 1.00 75.22 C ATOM 840 O GLN A 55 5.080 12.907 4.379 1.00 10.34 O ATOM 841 CB GLN A 55 2.210 14.383 5.147 1.00 24.45 C ATOM 842 CG GLN A 55 2.311 15.886 4.946 1.00 40.52 C ATOM 843 CD GLN A 55 2.870 16.256 3.586 1.00 33.12 C ATOM 844 OE1 GLN A 55 2.719 15.512 2.617 1.00 14.00 O ATOM 845 NE2 GLN A 55 3.518 17.412 3.507 1.00 3.31 N ATOM 0 H GLN A 55 2.925 15.156 7.376 1.00 13.13 H new ATOM 0 HA GLN A 55 3.221 12.727 6.071 1.00 70.45 H new ATOM 0 HB2 GLN A 55 2.103 13.901 4.175 1.00 24.45 H new ATOM 0 HB3 GLN A 55 1.306 14.160 5.714 1.00 24.45 H new ATOM 0 HG2 GLN A 55 1.323 16.332 5.062 1.00 40.52 H new ATOM 0 HG3 GLN A 55 2.946 16.311 5.724 1.00 40.52 H new ATOM 0 HE21 GLN A 55 3.619 17.997 4.336 1.00 3.31 H new ATOM 0 HE22 GLN A 55 3.914 17.715 2.617 1.00 3.31 H new ATOM 854 N ASN A 56 5.235 15.081 4.935 1.00 22.33 N ATOM 855 CA ASN A 56 6.429 15.315 4.130 1.00 14.24 C ATOM 856 C ASN A 56 7.584 14.437 4.602 1.00 73.21 C ATOM 857 O ASN A 56 8.269 13.810 3.795 1.00 71.01 O ATOM 858 CB ASN A 56 6.833 16.790 4.197 1.00 63.44 C ATOM 859 CG ASN A 56 7.194 17.352 2.836 1.00 23.31 C ATOM 860 OD1 ASN A 56 6.538 18.266 2.336 1.00 51.05 O ATOM 861 ND2 ASN A 56 8.241 16.807 2.229 1.00 43.24 N ATOM 0 H ASN A 56 4.896 15.902 5.436 1.00 22.33 H new ATOM 0 HA ASN A 56 6.198 15.055 3.097 1.00 14.24 H new ATOM 0 HB2 ASN A 56 6.013 17.370 4.621 1.00 63.44 H new ATOM 0 HB3 ASN A 56 7.683 16.901 4.870 1.00 63.44 H new ATOM 0 HD21 ASN A 56 8.531 17.144 1.311 1.00 43.24 H new ATOM 0 HD22 ASN A 56 8.756 16.051 2.681 1.00 43.24 H new ATOM 868 N GLU A 57 7.793 14.398 5.914 1.00 1.22 N ATOM 869 CA GLU A 57 8.866 13.597 6.492 1.00 72.52 C ATOM 870 C GLU A 57 8.681 12.119 6.158 1.00 64.10 C ATOM 871 O GLU A 57 9.643 11.418 5.842 1.00 33.25 O ATOM 872 CB GLU A 57 8.912 13.786 8.010 1.00 74.12 C ATOM 873 CG GLU A 57 8.995 15.241 8.440 1.00 14.51 C ATOM 874 CD GLU A 57 8.741 15.427 9.923 1.00 74.23 C ATOM 875 OE1 GLU A 57 8.280 14.463 10.570 1.00 11.14 O ATOM 876 OE2 GLU A 57 9.001 16.535 10.436 1.00 13.21 O ATOM 0 H GLU A 57 7.234 14.911 6.596 1.00 1.22 H new ATOM 0 HA GLU A 57 9.809 13.934 6.062 1.00 72.52 H new ATOM 0 HB2 GLU A 57 8.023 13.336 8.451 1.00 74.12 H new ATOM 0 HB3 GLU A 57 9.772 13.248 8.409 1.00 74.12 H new ATOM 0 HG2 GLU A 57 9.981 15.633 8.192 1.00 14.51 H new ATOM 0 HG3 GLU A 57 8.269 15.825 7.875 1.00 14.51 H new ATOM 883 N PHE A 58 7.439 11.652 6.233 1.00 43.54 N ATOM 884 CA PHE A 58 7.129 10.258 5.940 1.00 51.52 C ATOM 885 C PHE A 58 7.426 9.929 4.479 1.00 32.32 C ATOM 886 O PHE A 58 8.027 8.899 4.174 1.00 1.54 O ATOM 887 CB PHE A 58 5.659 9.965 6.251 1.00 64.35 C ATOM 888 CG PHE A 58 5.382 8.514 6.525 1.00 5.34 C ATOM 889 CD1 PHE A 58 5.208 7.619 5.482 1.00 22.34 C ATOM 890 CD2 PHE A 58 5.297 8.045 7.827 1.00 14.34 C ATOM 891 CE1 PHE A 58 4.954 6.284 5.732 1.00 61.44 C ATOM 892 CE2 PHE A 58 5.044 6.712 8.082 1.00 75.43 C ATOM 893 CZ PHE A 58 4.870 5.830 7.034 1.00 60.33 C ATOM 0 H PHE A 58 6.632 12.218 6.494 1.00 43.54 H new ATOM 0 HA PHE A 58 7.760 9.631 6.571 1.00 51.52 H new ATOM 0 HB2 PHE A 58 5.354 10.554 7.116 1.00 64.35 H new ATOM 0 HB3 PHE A 58 5.046 10.291 5.411 1.00 64.35 H new ATOM 0 HD1 PHE A 58 5.272 7.969 4.462 1.00 22.34 H new ATOM 0 HD2 PHE A 58 5.430 8.730 8.651 1.00 14.34 H new ATOM 0 HE1 PHE A 58 4.821 5.596 4.910 1.00 61.44 H new ATOM 0 HE2 PHE A 58 4.982 6.359 9.101 1.00 75.43 H new ATOM 0 HZ PHE A 58 4.669 4.788 7.232 1.00 60.33 H new ATOM 903 N ALA A 59 7.000 10.812 3.582 1.00 43.42 N ATOM 904 CA ALA A 59 7.221 10.617 2.154 1.00 22.25 C ATOM 905 C ALA A 59 8.710 10.524 1.837 1.00 34.15 C ATOM 906 O ALA A 59 9.158 9.587 1.177 1.00 50.22 O ATOM 907 CB ALA A 59 6.580 11.747 1.362 1.00 72.44 C ATOM 0 H ALA A 59 6.500 11.669 3.819 1.00 43.42 H new ATOM 0 HA ALA A 59 6.755 9.675 1.864 1.00 22.25 H new ATOM 0 HB1 ALA A 59 6.753 11.589 0.297 1.00 72.44 H new ATOM 0 HB2 ALA A 59 5.508 11.765 1.557 1.00 72.44 H new ATOM 0 HB3 ALA A 59 7.020 12.698 1.664 1.00 72.44 H new ATOM 913 N LYS A 60 9.473 11.505 2.311 1.00 64.13 N ATOM 914 CA LYS A 60 10.912 11.535 2.079 1.00 53.25 C ATOM 915 C LYS A 60 11.600 10.364 2.774 1.00 62.44 C ATOM 916 O LYS A 60 12.676 9.929 2.361 1.00 31.13 O ATOM 917 CB LYS A 60 11.503 12.856 2.577 1.00 73.34 C ATOM 918 CG LYS A 60 11.494 13.958 1.533 1.00 52.32 C ATOM 919 CD LYS A 60 11.737 15.321 2.158 1.00 5.04 C ATOM 920 CE LYS A 60 12.699 16.154 1.324 1.00 34.21 C ATOM 921 NZ LYS A 60 12.899 17.512 1.900 1.00 0.02 N ATOM 0 H LYS A 60 9.118 12.289 2.858 1.00 64.13 H new ATOM 0 HA LYS A 60 11.083 11.449 1.006 1.00 53.25 H new ATOM 0 HB2 LYS A 60 10.942 13.189 3.450 1.00 73.34 H new ATOM 0 HB3 LYS A 60 12.529 12.685 2.904 1.00 73.34 H new ATOM 0 HG2 LYS A 60 12.261 13.758 0.785 1.00 52.32 H new ATOM 0 HG3 LYS A 60 10.536 13.961 1.014 1.00 52.32 H new ATOM 0 HD2 LYS A 60 10.789 15.850 2.259 1.00 5.04 H new ATOM 0 HD3 LYS A 60 12.140 15.195 3.163 1.00 5.04 H new ATOM 0 HE2 LYS A 60 13.659 15.642 1.258 1.00 34.21 H new ATOM 0 HE3 LYS A 60 12.315 16.243 0.308 1.00 34.21 H new ATOM 0 HZ1 LYS A 60 13.561 18.048 1.303 1.00 0.02 H new ATOM 0 HZ2 LYS A 60 11.987 18.010 1.940 1.00 0.02 H new ATOM 0 HZ3 LYS A 60 13.289 17.428 2.860 1.00 0.02 H new ATOM 935 N PHE A 61 10.972 9.856 3.829 1.00 73.10 N ATOM 936 CA PHE A 61 11.523 8.735 4.581 1.00 1.44 C ATOM 937 C PHE A 61 11.233 7.413 3.877 1.00 41.51 C ATOM 938 O PHE A 61 12.031 6.477 3.938 1.00 54.13 O ATOM 939 CB PHE A 61 10.945 8.709 5.997 1.00 54.13 C ATOM 940 CG PHE A 61 11.078 7.375 6.674 1.00 34.40 C ATOM 941 CD1 PHE A 61 12.316 6.764 6.795 1.00 33.25 C ATOM 942 CD2 PHE A 61 9.964 6.731 7.190 1.00 13.34 C ATOM 943 CE1 PHE A 61 12.441 5.537 7.418 1.00 1.02 C ATOM 944 CE2 PHE A 61 10.083 5.505 7.815 1.00 24.12 C ATOM 945 CZ PHE A 61 11.324 4.906 7.928 1.00 74.53 C ATOM 0 H PHE A 61 10.081 10.203 4.183 1.00 73.10 H new ATOM 0 HA PHE A 61 12.603 8.866 4.640 1.00 1.44 H new ATOM 0 HB2 PHE A 61 11.448 9.465 6.600 1.00 54.13 H new ATOM 0 HB3 PHE A 61 9.891 8.983 5.956 1.00 54.13 H new ATOM 0 HD1 PHE A 61 13.193 7.253 6.398 1.00 33.25 H new ATOM 0 HD2 PHE A 61 8.992 7.193 7.102 1.00 13.34 H new ATOM 0 HE1 PHE A 61 13.412 5.072 7.506 1.00 1.02 H new ATOM 0 HE2 PHE A 61 9.208 5.015 8.215 1.00 24.12 H new ATOM 0 HZ PHE A 61 11.419 3.946 8.414 1.00 74.53 H new