USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 668 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 90 TYR OH : rot 180:sc= 0.515 USER MOD Set 1.2: A 94 GLN : amide:sc= 0.714 K(o=1.2,f=0.64) USER MOD Set 2.1: A 45 THR OG1 : rot -140:sc= 0.934 USER MOD Set 2.2: A 74 LYS NZ :NH3+ -125:sc= 1.09 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= -1.33 K(o=-1.3,f=-3.1!) USER MOD Single : A 3 SER OG : rot -120:sc= 1.29 USER MOD Single : A 7 LYS NZ :NH3+ 147:sc= 1.19 (180deg=0.61) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 25 HIS : no HD1:sc= 0.772 K(o=0.77,f=-5.3!) USER MOD Single : A 27 LYS NZ :NH3+ -151:sc= 2.5 (180deg=2.24) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -149:sc= 1.2 (180deg=0.723) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 160:sc= 1.22 (180deg=1.06) USER MOD Single : A 46 TYR OH : rot 180:sc= -0.686 USER MOD Single : A 72 LYS NZ :NH3+ 152:sc= 1.16 (180deg=1.07) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 148:sc= 1.6 USER MOD Single : A 83 ASN :FLIP amide:sc= -0.0507 F(o=-1.1,f=-0.051) USER MOD Single : A 88 THR OG1 : rot 126:sc= 1.01 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ -121:sc= 0.499 (180deg=-0.413!) USER MOD Single : A 98 LYS NZ :NH3+ -130:sc= -0.53 (180deg=-2.55!) USER MOD Single : A 99 LYS NZ :NH3+ -169:sc=-0.00501 (180deg=-0.126) USER MOD ----------------------------------------------------------------- ATOM 20 N ASN A 2 81.507 -10.881 -6.019 1.00 0.00 N ATOM 21 CA ASN A 2 82.825 -10.837 -6.630 1.00 0.00 C ATOM 22 C ASN A 2 83.143 -9.405 -7.022 1.00 0.00 C ATOM 23 O ASN A 2 82.385 -8.487 -6.698 1.00 0.00 O ATOM 24 CB ASN A 2 82.884 -11.732 -7.871 1.00 0.00 C ATOM 25 CG ASN A 2 82.673 -13.200 -7.562 1.00 0.00 C ATOM 26 OD1 ASN A 2 83.018 -13.685 -6.486 1.00 0.00 O ATOM 27 ND2 ASN A 2 82.103 -13.917 -8.516 1.00 0.00 N ATOM 0 HA ASN A 2 83.557 -11.202 -5.910 1.00 0.00 H new ATOM 0 HB2 ASN A 2 82.126 -11.405 -8.583 1.00 0.00 H new ATOM 0 HB3 ASN A 2 83.852 -11.605 -8.356 1.00 0.00 H new ATOM 0 HD21 ASN A 2 81.934 -14.913 -8.374 1.00 0.00 H new ATOM 0 HD22 ASN A 2 81.832 -13.474 -9.394 1.00 0.00 H new ATOM 34 N SER A 3 84.248 -9.216 -7.729 1.00 0.00 N ATOM 35 CA SER A 3 84.627 -7.897 -8.218 1.00 0.00 C ATOM 36 C SER A 3 83.514 -7.296 -9.078 1.00 0.00 C ATOM 37 O SER A 3 83.299 -6.082 -9.079 1.00 0.00 O ATOM 38 CB SER A 3 85.926 -7.998 -9.018 1.00 0.00 C ATOM 39 OG SER A 3 85.846 -9.032 -9.986 1.00 0.00 O ATOM 0 H SER A 3 84.899 -9.961 -7.977 1.00 0.00 H new ATOM 0 HA SER A 3 84.784 -7.238 -7.364 1.00 0.00 H new ATOM 0 HB2 SER A 3 86.129 -7.047 -9.511 1.00 0.00 H new ATOM 0 HB3 SER A 3 86.760 -8.191 -8.343 1.00 0.00 H new ATOM 0 HG SER A 3 86.543 -9.698 -9.812 1.00 0.00 H new ATOM 45 N GLU A 4 82.802 -8.170 -9.787 1.00 0.00 N ATOM 46 CA GLU A 4 81.674 -7.785 -10.631 1.00 0.00 C ATOM 47 C GLU A 4 80.662 -6.927 -9.870 1.00 0.00 C ATOM 48 O GLU A 4 80.282 -5.847 -10.330 1.00 0.00 O ATOM 49 CB GLU A 4 80.988 -9.049 -11.153 1.00 0.00 C ATOM 50 CG GLU A 4 79.670 -8.796 -11.859 1.00 0.00 C ATOM 51 CD GLU A 4 78.860 -10.062 -12.026 1.00 0.00 C ATOM 52 OE1 GLU A 4 78.272 -10.535 -11.026 1.00 0.00 O ATOM 53 OE2 GLU A 4 78.803 -10.597 -13.151 1.00 0.00 O ATOM 0 H GLU A 4 82.993 -9.172 -9.792 1.00 0.00 H new ATOM 0 HA GLU A 4 82.055 -7.188 -11.460 1.00 0.00 H new ATOM 0 HB2 GLU A 4 81.664 -9.558 -11.841 1.00 0.00 H new ATOM 0 HB3 GLU A 4 80.815 -9.726 -10.317 1.00 0.00 H new ATOM 0 HG2 GLU A 4 79.090 -8.068 -11.292 1.00 0.00 H new ATOM 0 HG3 GLU A 4 79.862 -8.358 -12.838 1.00 0.00 H new ATOM 60 N VAL A 5 80.236 -7.412 -8.708 1.00 0.00 N ATOM 61 CA VAL A 5 79.233 -6.718 -7.902 1.00 0.00 C ATOM 62 C VAL A 5 79.732 -5.344 -7.478 1.00 0.00 C ATOM 63 O VAL A 5 79.023 -4.343 -7.618 1.00 0.00 O ATOM 64 CB VAL A 5 78.860 -7.531 -6.645 1.00 0.00 C ATOM 65 CG1 VAL A 5 77.811 -6.801 -5.818 1.00 0.00 C ATOM 66 CG2 VAL A 5 78.367 -8.913 -7.034 1.00 0.00 C ATOM 0 H VAL A 5 80.570 -8.286 -8.301 1.00 0.00 H new ATOM 0 HA VAL A 5 78.346 -6.604 -8.525 1.00 0.00 H new ATOM 0 HB VAL A 5 79.755 -7.642 -6.033 1.00 0.00 H new ATOM 0 HG11 VAL A 5 77.565 -7.394 -4.937 1.00 0.00 H new ATOM 0 HG12 VAL A 5 78.203 -5.833 -5.506 1.00 0.00 H new ATOM 0 HG13 VAL A 5 76.913 -6.652 -6.418 1.00 0.00 H new ATOM 0 HG21 VAL A 5 78.108 -9.473 -6.136 1.00 0.00 H new ATOM 0 HG22 VAL A 5 77.486 -8.820 -7.670 1.00 0.00 H new ATOM 0 HG23 VAL A 5 79.152 -9.440 -7.577 1.00 0.00 H new ATOM 76 N ILE A 6 80.952 -5.313 -6.955 1.00 0.00 N ATOM 77 CA ILE A 6 81.592 -4.061 -6.561 1.00 0.00 C ATOM 78 C ILE A 6 81.613 -3.066 -7.723 1.00 0.00 C ATOM 79 O ILE A 6 81.318 -1.884 -7.540 1.00 0.00 O ATOM 80 CB ILE A 6 83.034 -4.303 -6.063 1.00 0.00 C ATOM 81 CG1 ILE A 6 83.030 -5.305 -4.907 1.00 0.00 C ATOM 82 CG2 ILE A 6 83.680 -2.994 -5.627 1.00 0.00 C ATOM 83 CD1 ILE A 6 84.411 -5.632 -4.380 1.00 0.00 C ATOM 0 H ILE A 6 81.521 -6.144 -6.793 1.00 0.00 H new ATOM 0 HA ILE A 6 81.004 -3.641 -5.745 1.00 0.00 H new ATOM 0 HB ILE A 6 83.619 -4.715 -6.885 1.00 0.00 H new ATOM 0 HG12 ILE A 6 82.426 -4.905 -4.093 1.00 0.00 H new ATOM 0 HG13 ILE A 6 82.550 -6.226 -5.238 1.00 0.00 H new ATOM 0 HG21 ILE A 6 84.695 -3.187 -5.280 1.00 0.00 H new ATOM 0 HG22 ILE A 6 83.710 -2.304 -6.471 1.00 0.00 H new ATOM 0 HG23 ILE A 6 83.098 -2.553 -4.818 1.00 0.00 H new ATOM 0 HD11 ILE A 6 84.328 -6.348 -3.562 1.00 0.00 H new ATOM 0 HD12 ILE A 6 85.013 -6.063 -5.180 1.00 0.00 H new ATOM 0 HD13 ILE A 6 84.887 -4.721 -4.018 1.00 0.00 H new ATOM 95 N LYS A 7 81.939 -3.557 -8.917 1.00 0.00 N ATOM 96 CA LYS A 7 81.967 -2.721 -10.116 1.00 0.00 C ATOM 97 C LYS A 7 80.620 -2.050 -10.350 1.00 0.00 C ATOM 98 O LYS A 7 80.551 -0.840 -10.563 1.00 0.00 O ATOM 99 CB LYS A 7 82.336 -3.550 -11.346 1.00 0.00 C ATOM 100 CG LYS A 7 83.762 -4.060 -11.341 1.00 0.00 C ATOM 101 CD LYS A 7 84.034 -4.930 -12.554 1.00 0.00 C ATOM 102 CE LYS A 7 85.483 -5.368 -12.607 1.00 0.00 C ATOM 103 NZ LYS A 7 85.761 -6.211 -13.795 1.00 0.00 N ATOM 0 H LYS A 7 82.188 -4.533 -9.080 1.00 0.00 H new ATOM 0 HA LYS A 7 82.723 -1.952 -9.958 1.00 0.00 H new ATOM 0 HB2 LYS A 7 81.657 -4.400 -11.415 1.00 0.00 H new ATOM 0 HB3 LYS A 7 82.181 -2.945 -12.239 1.00 0.00 H new ATOM 0 HG2 LYS A 7 84.453 -3.217 -11.332 1.00 0.00 H new ATOM 0 HG3 LYS A 7 83.944 -4.632 -10.431 1.00 0.00 H new ATOM 0 HD2 LYS A 7 83.388 -5.807 -12.526 1.00 0.00 H new ATOM 0 HD3 LYS A 7 83.785 -4.380 -13.461 1.00 0.00 H new ATOM 0 HE2 LYS A 7 86.128 -4.489 -12.626 1.00 0.00 H new ATOM 0 HE3 LYS A 7 85.728 -5.924 -11.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 86.733 -6.040 -14.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 85.652 -7.214 -13.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 85.093 -5.971 -14.555 1.00 0.00 H new ATOM 117 N GLU A 8 79.554 -2.840 -10.300 1.00 0.00 N ATOM 118 CA GLU A 8 78.207 -2.327 -10.520 1.00 0.00 C ATOM 119 C GLU A 8 77.858 -1.274 -9.473 1.00 0.00 C ATOM 120 O GLU A 8 77.271 -0.238 -9.785 1.00 0.00 O ATOM 121 CB GLU A 8 77.192 -3.470 -10.479 1.00 0.00 C ATOM 122 CG GLU A 8 77.505 -4.587 -11.460 1.00 0.00 C ATOM 123 CD GLU A 8 76.445 -5.669 -11.481 1.00 0.00 C ATOM 124 OE1 GLU A 8 76.514 -6.594 -10.645 1.00 0.00 O ATOM 125 OE2 GLU A 8 75.543 -5.599 -12.341 1.00 0.00 O ATOM 0 H GLU A 8 79.597 -3.841 -10.109 1.00 0.00 H new ATOM 0 HA GLU A 8 78.171 -1.861 -11.505 1.00 0.00 H new ATOM 0 HB2 GLU A 8 77.158 -3.881 -9.470 1.00 0.00 H new ATOM 0 HB3 GLU A 8 76.200 -3.074 -10.695 1.00 0.00 H new ATOM 0 HG2 GLU A 8 77.607 -4.167 -12.460 1.00 0.00 H new ATOM 0 HG3 GLU A 8 78.466 -5.032 -11.201 1.00 0.00 H new ATOM 132 N PHE A 9 78.243 -1.540 -8.232 1.00 0.00 N ATOM 133 CA PHE A 9 77.997 -0.615 -7.134 1.00 0.00 C ATOM 134 C PHE A 9 78.717 0.708 -7.372 1.00 0.00 C ATOM 135 O PHE A 9 78.127 1.781 -7.254 1.00 0.00 O ATOM 136 CB PHE A 9 78.454 -1.244 -5.813 1.00 0.00 C ATOM 137 CG PHE A 9 78.277 -0.358 -4.609 1.00 0.00 C ATOM 138 CD1 PHE A 9 77.011 -0.044 -4.143 1.00 0.00 C ATOM 139 CD2 PHE A 9 79.379 0.147 -3.935 1.00 0.00 C ATOM 140 CE1 PHE A 9 76.848 0.757 -3.029 1.00 0.00 C ATOM 141 CE2 PHE A 9 79.220 0.949 -2.822 1.00 0.00 C ATOM 142 CZ PHE A 9 77.953 1.254 -2.367 1.00 0.00 C ATOM 0 H PHE A 9 78.730 -2.394 -7.960 1.00 0.00 H new ATOM 0 HA PHE A 9 76.927 -0.413 -7.079 1.00 0.00 H new ATOM 0 HB2 PHE A 9 77.899 -2.168 -5.654 1.00 0.00 H new ATOM 0 HB3 PHE A 9 79.506 -1.515 -5.898 1.00 0.00 H new ATOM 0 HD1 PHE A 9 76.142 -0.429 -4.656 1.00 0.00 H new ATOM 0 HD2 PHE A 9 80.373 -0.090 -4.285 1.00 0.00 H new ATOM 0 HE1 PHE A 9 75.855 0.995 -2.676 1.00 0.00 H new ATOM 0 HE2 PHE A 9 80.087 1.337 -2.308 1.00 0.00 H new ATOM 0 HZ PHE A 9 77.826 1.880 -1.496 1.00 0.00 H new ATOM 152 N LEU A 10 79.991 0.624 -7.730 1.00 0.00 N ATOM 153 CA LEU A 10 80.811 1.809 -7.934 1.00 0.00 C ATOM 154 C LEU A 10 80.377 2.578 -9.177 1.00 0.00 C ATOM 155 O LEU A 10 80.459 3.806 -9.213 1.00 0.00 O ATOM 156 CB LEU A 10 82.282 1.412 -8.033 1.00 0.00 C ATOM 157 CG LEU A 10 82.823 0.683 -6.803 1.00 0.00 C ATOM 158 CD1 LEU A 10 84.262 0.257 -7.018 1.00 0.00 C ATOM 159 CD2 LEU A 10 82.709 1.567 -5.573 1.00 0.00 C ATOM 0 H LEU A 10 80.480 -0.257 -7.886 1.00 0.00 H new ATOM 0 HA LEU A 10 80.677 2.469 -7.077 1.00 0.00 H new ATOM 0 HB2 LEU A 10 82.416 0.774 -8.907 1.00 0.00 H new ATOM 0 HB3 LEU A 10 82.878 2.309 -8.200 1.00 0.00 H new ATOM 0 HG LEU A 10 82.223 -0.214 -6.645 1.00 0.00 H new ATOM 0 HD11 LEU A 10 84.625 -0.260 -6.130 1.00 0.00 H new ATOM 0 HD12 LEU A 10 84.319 -0.413 -7.876 1.00 0.00 H new ATOM 0 HD13 LEU A 10 84.878 1.137 -7.203 1.00 0.00 H new ATOM 0 HD21 LEU A 10 83.098 1.035 -4.705 1.00 0.00 H new ATOM 0 HD22 LEU A 10 83.284 2.480 -5.727 1.00 0.00 H new ATOM 0 HD23 LEU A 10 81.663 1.822 -5.404 1.00 0.00 H new ATOM 171 N GLU A 11 79.913 1.854 -10.189 1.00 0.00 N ATOM 172 CA GLU A 11 79.399 2.470 -11.405 1.00 0.00 C ATOM 173 C GLU A 11 78.130 3.263 -11.097 1.00 0.00 C ATOM 174 O GLU A 11 77.942 4.376 -11.595 1.00 0.00 O ATOM 175 CB GLU A 11 79.116 1.399 -12.462 1.00 0.00 C ATOM 176 CG GLU A 11 78.599 1.953 -13.780 1.00 0.00 C ATOM 177 CD GLU A 11 78.333 0.867 -14.799 1.00 0.00 C ATOM 178 OE1 GLU A 11 77.332 0.134 -14.647 1.00 0.00 O ATOM 179 OE2 GLU A 11 79.120 0.737 -15.760 1.00 0.00 O ATOM 0 H GLU A 11 79.883 0.834 -10.190 1.00 0.00 H new ATOM 0 HA GLU A 11 80.151 3.155 -11.798 1.00 0.00 H new ATOM 0 HB2 GLU A 11 80.031 0.837 -12.650 1.00 0.00 H new ATOM 0 HB3 GLU A 11 78.386 0.694 -12.064 1.00 0.00 H new ATOM 0 HG2 GLU A 11 77.680 2.512 -13.601 1.00 0.00 H new ATOM 0 HG3 GLU A 11 79.326 2.657 -14.185 1.00 0.00 H new ATOM 186 N ASP A 12 77.272 2.689 -10.255 1.00 0.00 N ATOM 187 CA ASP A 12 76.041 3.355 -9.837 1.00 0.00 C ATOM 188 C ASP A 12 76.359 4.618 -9.046 1.00 0.00 C ATOM 189 O ASP A 12 75.673 5.633 -9.173 1.00 0.00 O ATOM 190 CB ASP A 12 75.176 2.410 -8.998 1.00 0.00 C ATOM 191 CG ASP A 12 73.858 3.040 -8.592 1.00 0.00 C ATOM 192 OD1 ASP A 12 72.995 3.247 -9.473 1.00 0.00 O ATOM 193 OD2 ASP A 12 73.667 3.314 -7.388 1.00 0.00 O ATOM 0 H ASP A 12 77.408 1.763 -9.849 1.00 0.00 H new ATOM 0 HA ASP A 12 75.484 3.635 -10.731 1.00 0.00 H new ATOM 0 HB2 ASP A 12 74.981 1.500 -9.566 1.00 0.00 H new ATOM 0 HB3 ASP A 12 75.726 2.116 -8.104 1.00 0.00 H new ATOM 198 N ILE A 13 77.404 4.554 -8.224 1.00 0.00 N ATOM 199 CA ILE A 13 77.890 5.734 -7.520 1.00 0.00 C ATOM 200 C ILE A 13 78.463 6.732 -8.521 1.00 0.00 C ATOM 201 O ILE A 13 78.246 7.942 -8.419 1.00 0.00 O ATOM 202 CB ILE A 13 78.987 5.382 -6.487 1.00 0.00 C ATOM 203 CG1 ILE A 13 78.490 4.335 -5.491 1.00 0.00 C ATOM 204 CG2 ILE A 13 79.445 6.630 -5.746 1.00 0.00 C ATOM 205 CD1 ILE A 13 79.543 3.922 -4.482 1.00 0.00 C ATOM 0 H ILE A 13 77.928 3.700 -8.031 1.00 0.00 H new ATOM 0 HA ILE A 13 77.042 6.166 -6.988 1.00 0.00 H new ATOM 0 HB ILE A 13 79.834 4.964 -7.031 1.00 0.00 H new ATOM 0 HG12 ILE A 13 77.623 4.730 -4.961 1.00 0.00 H new ATOM 0 HG13 ILE A 13 78.155 3.454 -6.038 1.00 0.00 H new ATOM 0 HG21 ILE A 13 80.216 6.362 -5.024 1.00 0.00 H new ATOM 0 HG22 ILE A 13 79.849 7.349 -6.459 1.00 0.00 H new ATOM 0 HG23 ILE A 13 78.598 7.074 -5.224 1.00 0.00 H new ATOM 0 HD11 ILE A 13 79.126 3.177 -3.805 1.00 0.00 H new ATOM 0 HD12 ILE A 13 80.401 3.498 -5.004 1.00 0.00 H new ATOM 0 HD13 ILE A 13 79.861 4.794 -3.911 1.00 0.00 H new ATOM 217 N GLY A 14 79.187 6.203 -9.499 1.00 0.00 N ATOM 218 CA GLY A 14 79.804 7.034 -10.509 1.00 0.00 C ATOM 219 C GLY A 14 81.220 7.405 -10.141 1.00 0.00 C ATOM 220 O GLY A 14 81.754 8.409 -10.617 1.00 0.00 O ATOM 0 H GLY A 14 79.358 5.203 -9.609 1.00 0.00 H new ATOM 0 HA2 GLY A 14 79.803 6.508 -11.463 1.00 0.00 H new ATOM 0 HA3 GLY A 14 79.214 7.941 -10.644 1.00 0.00 H new ATOM 224 N GLU A 15 81.833 6.597 -9.291 1.00 0.00 N ATOM 225 CA GLU A 15 83.184 6.862 -8.835 1.00 0.00 C ATOM 226 C GLU A 15 84.200 6.057 -9.623 1.00 0.00 C ATOM 227 O GLU A 15 83.870 5.043 -10.239 1.00 0.00 O ATOM 228 CB GLU A 15 83.322 6.573 -7.342 1.00 0.00 C ATOM 229 CG GLU A 15 82.808 7.700 -6.469 1.00 0.00 C ATOM 230 CD GLU A 15 83.488 9.017 -6.784 1.00 0.00 C ATOM 231 OE1 GLU A 15 84.712 9.127 -6.558 1.00 0.00 O ATOM 232 OE2 GLU A 15 82.809 9.941 -7.274 1.00 0.00 O ATOM 0 H GLU A 15 81.414 5.752 -8.904 1.00 0.00 H new ATOM 0 HA GLU A 15 83.385 7.920 -9.004 1.00 0.00 H new ATOM 0 HB2 GLU A 15 82.778 5.659 -7.103 1.00 0.00 H new ATOM 0 HB3 GLU A 15 84.371 6.390 -7.109 1.00 0.00 H new ATOM 0 HG2 GLU A 15 81.732 7.805 -6.609 1.00 0.00 H new ATOM 0 HG3 GLU A 15 82.971 7.450 -5.421 1.00 0.00 H new ATOM 239 N ASP A 16 85.435 6.528 -9.598 1.00 0.00 N ATOM 240 CA ASP A 16 86.517 5.905 -10.344 1.00 0.00 C ATOM 241 C ASP A 16 87.015 4.658 -9.639 1.00 0.00 C ATOM 242 O ASP A 16 87.556 4.734 -8.536 1.00 0.00 O ATOM 243 CB ASP A 16 87.690 6.877 -10.504 1.00 0.00 C ATOM 244 CG ASP A 16 87.306 8.171 -11.186 1.00 0.00 C ATOM 245 OD1 ASP A 16 86.914 9.127 -10.480 1.00 0.00 O ATOM 246 OD2 ASP A 16 87.411 8.245 -12.428 1.00 0.00 O ATOM 0 H ASP A 16 85.716 7.349 -9.063 1.00 0.00 H new ATOM 0 HA ASP A 16 86.124 5.635 -11.324 1.00 0.00 H new ATOM 0 HB2 ASP A 16 88.104 7.101 -9.521 1.00 0.00 H new ATOM 0 HB3 ASP A 16 88.479 6.392 -11.079 1.00 0.00 H new ATOM 251 N TYR A 17 86.818 3.511 -10.266 1.00 0.00 N ATOM 252 CA TYR A 17 87.433 2.289 -9.791 1.00 0.00 C ATOM 253 C TYR A 17 88.493 1.842 -10.785 1.00 0.00 C ATOM 254 O TYR A 17 88.192 1.481 -11.922 1.00 0.00 O ATOM 255 CB TYR A 17 86.396 1.183 -9.526 1.00 0.00 C ATOM 256 CG TYR A 17 85.559 0.748 -10.714 1.00 0.00 C ATOM 257 CD1 TYR A 17 84.442 1.473 -11.110 1.00 0.00 C ATOM 258 CD2 TYR A 17 85.871 -0.409 -11.418 1.00 0.00 C ATOM 259 CE1 TYR A 17 83.665 1.059 -12.176 1.00 0.00 C ATOM 260 CE2 TYR A 17 85.097 -0.830 -12.481 1.00 0.00 C ATOM 261 CZ TYR A 17 83.996 -0.091 -12.857 1.00 0.00 C ATOM 262 OH TYR A 17 83.220 -0.512 -13.912 1.00 0.00 O ATOM 0 H TYR A 17 86.240 3.403 -11.100 1.00 0.00 H new ATOM 0 HA TYR A 17 87.909 2.489 -8.831 1.00 0.00 H new ATOM 0 HB2 TYR A 17 86.919 0.309 -9.138 1.00 0.00 H new ATOM 0 HB3 TYR A 17 85.723 1.526 -8.740 1.00 0.00 H new ATOM 0 HD1 TYR A 17 84.177 2.374 -10.577 1.00 0.00 H new ATOM 0 HD2 TYR A 17 86.735 -0.989 -11.128 1.00 0.00 H new ATOM 0 HE1 TYR A 17 82.802 1.636 -12.473 1.00 0.00 H new ATOM 0 HE2 TYR A 17 85.353 -1.733 -13.015 1.00 0.00 H new ATOM 0 HH TYR A 17 83.593 -1.339 -14.283 1.00 0.00 H new ATOM 272 N ILE A 18 89.741 1.909 -10.362 1.00 0.00 N ATOM 273 CA ILE A 18 90.848 1.602 -11.244 1.00 0.00 C ATOM 274 C ILE A 18 91.111 0.109 -11.265 1.00 0.00 C ATOM 275 O ILE A 18 91.790 -0.430 -10.382 1.00 0.00 O ATOM 276 CB ILE A 18 92.130 2.347 -10.825 1.00 0.00 C ATOM 277 CG1 ILE A 18 91.848 3.841 -10.676 1.00 0.00 C ATOM 278 CG2 ILE A 18 93.239 2.110 -11.841 1.00 0.00 C ATOM 279 CD1 ILE A 18 93.012 4.627 -10.117 1.00 0.00 C ATOM 0 H ILE A 18 90.012 2.173 -9.415 1.00 0.00 H new ATOM 0 HA ILE A 18 90.570 1.936 -12.244 1.00 0.00 H new ATOM 0 HB ILE A 18 92.460 1.959 -9.861 1.00 0.00 H new ATOM 0 HG12 ILE A 18 91.580 4.250 -11.650 1.00 0.00 H new ATOM 0 HG13 ILE A 18 90.984 3.975 -10.025 1.00 0.00 H new ATOM 0 HG21 ILE A 18 94.137 2.643 -11.530 1.00 0.00 H new ATOM 0 HG22 ILE A 18 93.453 1.043 -11.903 1.00 0.00 H new ATOM 0 HG23 ILE A 18 92.921 2.474 -12.818 1.00 0.00 H new ATOM 0 HD11 ILE A 18 92.737 5.679 -10.040 1.00 0.00 H new ATOM 0 HD12 ILE A 18 93.267 4.245 -9.128 1.00 0.00 H new ATOM 0 HD13 ILE A 18 93.872 4.524 -10.779 1.00 0.00 H new ATOM 291 N GLU A 19 90.535 -0.563 -12.250 1.00 0.00 N ATOM 292 CA GLU A 19 90.758 -1.985 -12.423 1.00 0.00 C ATOM 293 C GLU A 19 92.128 -2.228 -13.028 1.00 0.00 C ATOM 294 O GLU A 19 92.402 -1.836 -14.164 1.00 0.00 O ATOM 295 CB GLU A 19 89.685 -2.610 -13.320 1.00 0.00 C ATOM 296 CG GLU A 19 89.919 -4.092 -13.585 1.00 0.00 C ATOM 297 CD GLU A 19 89.032 -4.647 -14.679 1.00 0.00 C ATOM 298 OE1 GLU A 19 89.147 -4.186 -15.834 1.00 0.00 O ATOM 299 OE2 GLU A 19 88.219 -5.552 -14.394 1.00 0.00 O ATOM 0 H GLU A 19 89.911 -0.145 -12.940 1.00 0.00 H new ATOM 0 HA GLU A 19 90.703 -2.454 -11.441 1.00 0.00 H new ATOM 0 HB2 GLU A 19 88.709 -2.480 -12.853 1.00 0.00 H new ATOM 0 HB3 GLU A 19 89.658 -2.077 -14.270 1.00 0.00 H new ATOM 0 HG2 GLU A 19 90.963 -4.246 -13.859 1.00 0.00 H new ATOM 0 HG3 GLU A 19 89.745 -4.651 -12.666 1.00 0.00 H new ATOM 306 N LEU A 20 92.991 -2.848 -12.255 1.00 0.00 N ATOM 307 CA LEU A 20 94.281 -3.282 -12.739 1.00 0.00 C ATOM 308 C LEU A 20 94.312 -4.797 -12.694 1.00 0.00 C ATOM 309 O LEU A 20 93.414 -5.416 -12.121 1.00 0.00 O ATOM 310 CB LEU A 20 95.412 -2.695 -11.888 1.00 0.00 C ATOM 311 CG LEU A 20 95.509 -1.167 -11.892 1.00 0.00 C ATOM 312 CD1 LEU A 20 96.647 -0.704 -10.996 1.00 0.00 C ATOM 313 CD2 LEU A 20 95.702 -0.646 -13.308 1.00 0.00 C ATOM 0 H LEU A 20 92.818 -3.065 -11.274 1.00 0.00 H new ATOM 0 HA LEU A 20 94.430 -2.931 -13.760 1.00 0.00 H new ATOM 0 HB2 LEU A 20 95.283 -3.032 -10.859 1.00 0.00 H new ATOM 0 HB3 LEU A 20 96.359 -3.104 -12.240 1.00 0.00 H new ATOM 0 HG LEU A 20 94.575 -0.763 -11.502 1.00 0.00 H new ATOM 0 HD11 LEU A 20 96.702 0.385 -11.011 1.00 0.00 H new ATOM 0 HD12 LEU A 20 96.469 -1.045 -9.976 1.00 0.00 H new ATOM 0 HD13 LEU A 20 97.587 -1.119 -11.358 1.00 0.00 H new ATOM 0 HD21 LEU A 20 95.769 0.442 -13.290 1.00 0.00 H new ATOM 0 HD22 LEU A 20 96.620 -1.059 -13.726 1.00 0.00 H new ATOM 0 HD23 LEU A 20 94.855 -0.947 -13.925 1.00 0.00 H new ATOM 325 N GLU A 21 95.317 -5.399 -13.296 1.00 0.00 N ATOM 326 CA GLU A 21 95.422 -6.846 -13.289 1.00 0.00 C ATOM 327 C GLU A 21 95.625 -7.359 -11.868 1.00 0.00 C ATOM 328 O GLU A 21 96.692 -7.171 -11.279 1.00 0.00 O ATOM 329 CB GLU A 21 96.553 -7.308 -14.203 1.00 0.00 C ATOM 330 CG GLU A 21 96.380 -6.840 -15.636 1.00 0.00 C ATOM 331 CD GLU A 21 97.373 -7.474 -16.578 1.00 0.00 C ATOM 332 OE1 GLU A 21 98.547 -7.057 -16.576 1.00 0.00 O ATOM 333 OE2 GLU A 21 96.980 -8.395 -17.321 1.00 0.00 O ATOM 0 H GLU A 21 96.066 -4.916 -13.792 1.00 0.00 H new ATOM 0 HA GLU A 21 94.490 -7.262 -13.671 1.00 0.00 H new ATOM 0 HB2 GLU A 21 97.502 -6.936 -13.816 1.00 0.00 H new ATOM 0 HB3 GLU A 21 96.607 -8.397 -14.185 1.00 0.00 H new ATOM 0 HG2 GLU A 21 95.369 -7.072 -15.970 1.00 0.00 H new ATOM 0 HG3 GLU A 21 96.488 -5.756 -15.676 1.00 0.00 H new ATOM 340 N ASN A 22 94.560 -7.971 -11.335 1.00 0.00 N ATOM 341 CA ASN A 22 94.525 -8.534 -9.977 1.00 0.00 C ATOM 342 C ASN A 22 94.277 -7.459 -8.916 1.00 0.00 C ATOM 343 O ASN A 22 94.240 -7.765 -7.723 1.00 0.00 O ATOM 344 CB ASN A 22 95.805 -9.317 -9.636 1.00 0.00 C ATOM 345 CG ASN A 22 95.999 -10.548 -10.505 1.00 0.00 C ATOM 346 OD1 ASN A 22 95.036 -11.132 -11.003 1.00 0.00 O ATOM 347 ND2 ASN A 22 97.246 -10.960 -10.679 1.00 0.00 N ATOM 0 H ASN A 22 93.684 -8.091 -11.843 1.00 0.00 H new ATOM 0 HA ASN A 22 93.687 -9.231 -9.966 1.00 0.00 H new ATOM 0 HB2 ASN A 22 96.667 -8.660 -9.750 1.00 0.00 H new ATOM 0 HB3 ASN A 22 95.771 -9.620 -8.589 1.00 0.00 H new ATOM 0 HD21 ASN A 22 97.435 -11.789 -11.243 1.00 0.00 H new ATOM 0 HD22 ASN A 22 98.017 -10.448 -10.249 1.00 0.00 H new ATOM 354 N GLU A 23 94.070 -6.212 -9.338 1.00 0.00 N ATOM 355 CA GLU A 23 93.878 -5.116 -8.388 1.00 0.00 C ATOM 356 C GLU A 23 92.708 -4.218 -8.766 1.00 0.00 C ATOM 357 O GLU A 23 92.369 -4.067 -9.935 1.00 0.00 O ATOM 358 CB GLU A 23 95.126 -4.236 -8.289 1.00 0.00 C ATOM 359 CG GLU A 23 96.348 -4.915 -7.703 1.00 0.00 C ATOM 360 CD GLU A 23 97.415 -3.912 -7.318 1.00 0.00 C ATOM 361 OE1 GLU A 23 97.663 -2.967 -8.099 1.00 0.00 O ATOM 362 OE2 GLU A 23 97.990 -4.042 -6.219 1.00 0.00 O ATOM 0 H GLU A 23 94.031 -5.937 -10.319 1.00 0.00 H new ATOM 0 HA GLU A 23 93.673 -5.594 -7.430 1.00 0.00 H new ATOM 0 HB2 GLU A 23 95.375 -3.872 -9.286 1.00 0.00 H new ATOM 0 HB3 GLU A 23 94.888 -3.363 -7.681 1.00 0.00 H new ATOM 0 HG2 GLU A 23 96.058 -5.493 -6.825 1.00 0.00 H new ATOM 0 HG3 GLU A 23 96.755 -5.620 -8.428 1.00 0.00 H new ATOM 369 N ILE A 24 92.099 -3.625 -7.754 1.00 0.00 N ATOM 370 CA ILE A 24 91.165 -2.526 -7.943 1.00 0.00 C ATOM 371 C ILE A 24 91.542 -1.396 -6.994 1.00 0.00 C ATOM 372 O ILE A 24 91.409 -1.526 -5.779 1.00 0.00 O ATOM 373 CB ILE A 24 89.692 -2.937 -7.699 1.00 0.00 C ATOM 374 CG1 ILE A 24 89.227 -3.933 -8.767 1.00 0.00 C ATOM 375 CG2 ILE A 24 88.788 -1.709 -7.694 1.00 0.00 C ATOM 376 CD1 ILE A 24 87.787 -4.374 -8.606 1.00 0.00 C ATOM 0 H ILE A 24 92.237 -3.890 -6.779 1.00 0.00 H new ATOM 0 HA ILE A 24 91.235 -2.207 -8.983 1.00 0.00 H new ATOM 0 HB ILE A 24 89.629 -3.419 -6.724 1.00 0.00 H new ATOM 0 HG12 ILE A 24 89.351 -3.481 -9.751 1.00 0.00 H new ATOM 0 HG13 ILE A 24 89.872 -4.811 -8.737 1.00 0.00 H new ATOM 0 HG21 ILE A 24 87.757 -2.017 -7.521 1.00 0.00 H new ATOM 0 HG22 ILE A 24 89.101 -1.030 -6.901 1.00 0.00 H new ATOM 0 HG23 ILE A 24 88.859 -1.201 -8.656 1.00 0.00 H new ATOM 0 HD11 ILE A 24 87.531 -5.078 -9.398 1.00 0.00 H new ATOM 0 HD12 ILE A 24 87.660 -4.857 -7.637 1.00 0.00 H new ATOM 0 HD13 ILE A 24 87.131 -3.505 -8.667 1.00 0.00 H new ATOM 388 N HIS A 25 92.050 -0.306 -7.544 1.00 0.00 N ATOM 389 CA HIS A 25 92.463 0.828 -6.729 1.00 0.00 C ATOM 390 C HIS A 25 91.295 1.786 -6.549 1.00 0.00 C ATOM 391 O HIS A 25 90.688 2.225 -7.528 1.00 0.00 O ATOM 392 CB HIS A 25 93.660 1.555 -7.358 1.00 0.00 C ATOM 393 CG HIS A 25 94.954 0.796 -7.276 1.00 0.00 C ATOM 394 ND1 HIS A 25 96.154 1.389 -6.947 1.00 0.00 N ATOM 395 CD2 HIS A 25 95.235 -0.511 -7.501 1.00 0.00 C ATOM 396 CE1 HIS A 25 97.115 0.482 -6.975 1.00 0.00 C ATOM 397 NE2 HIS A 25 96.583 -0.679 -7.308 1.00 0.00 N ATOM 0 H HIS A 25 92.187 -0.181 -8.547 1.00 0.00 H new ATOM 0 HA HIS A 25 92.775 0.456 -5.753 1.00 0.00 H new ATOM 0 HB2 HIS A 25 93.437 1.759 -8.405 1.00 0.00 H new ATOM 0 HB3 HIS A 25 93.785 2.519 -6.865 1.00 0.00 H new ATOM 0 HD2 HIS A 25 94.528 -1.278 -7.781 1.00 0.00 H new ATOM 0 HE1 HIS A 25 98.159 0.661 -6.762 1.00 0.00 H new ATOM 0 HE2 HIS A 25 97.091 -1.558 -7.406 1.00 0.00 H new ATOM 406 N LEU A 26 90.973 2.085 -5.299 1.00 0.00 N ATOM 407 CA LEU A 26 89.845 2.953 -4.990 1.00 0.00 C ATOM 408 C LEU A 26 90.287 4.179 -4.207 1.00 0.00 C ATOM 409 O LEU A 26 91.451 4.308 -3.826 1.00 0.00 O ATOM 410 CB LEU A 26 88.779 2.199 -4.190 1.00 0.00 C ATOM 411 CG LEU A 26 87.976 1.166 -4.977 1.00 0.00 C ATOM 412 CD1 LEU A 26 86.905 0.542 -4.094 1.00 0.00 C ATOM 413 CD2 LEU A 26 87.347 1.810 -6.201 1.00 0.00 C ATOM 0 H LEU A 26 91.477 1.740 -4.482 1.00 0.00 H new ATOM 0 HA LEU A 26 89.420 3.278 -5.940 1.00 0.00 H new ATOM 0 HB2 LEU A 26 89.265 1.696 -3.354 1.00 0.00 H new ATOM 0 HB3 LEU A 26 88.086 2.926 -3.766 1.00 0.00 H new ATOM 0 HG LEU A 26 88.652 0.378 -5.308 1.00 0.00 H new ATOM 0 HD11 LEU A 26 86.341 -0.192 -4.670 1.00 0.00 H new ATOM 0 HD12 LEU A 26 87.376 0.051 -3.242 1.00 0.00 H new ATOM 0 HD13 LEU A 26 86.230 1.319 -3.737 1.00 0.00 H new ATOM 0 HD21 LEU A 26 86.777 1.063 -6.753 1.00 0.00 H new ATOM 0 HD22 LEU A 26 86.682 2.615 -5.887 1.00 0.00 H new ATOM 0 HD23 LEU A 26 88.130 2.216 -6.842 1.00 0.00 H new ATOM 425 N LYS A 27 89.334 5.068 -3.971 1.00 0.00 N ATOM 426 CA LYS A 27 89.572 6.281 -3.208 1.00 0.00 C ATOM 427 C LYS A 27 89.224 6.037 -1.743 1.00 0.00 C ATOM 428 O LYS A 27 88.391 5.182 -1.443 1.00 0.00 O ATOM 429 CB LYS A 27 88.719 7.419 -3.772 1.00 0.00 C ATOM 430 CG LYS A 27 88.868 7.601 -5.273 1.00 0.00 C ATOM 431 CD LYS A 27 87.911 8.654 -5.800 1.00 0.00 C ATOM 432 CE LYS A 27 87.946 8.730 -7.317 1.00 0.00 C ATOM 433 NZ LYS A 27 86.969 9.719 -7.842 1.00 0.00 N ATOM 0 H LYS A 27 88.375 4.968 -4.303 1.00 0.00 H new ATOM 0 HA LYS A 27 90.623 6.559 -3.282 1.00 0.00 H new ATOM 0 HB2 LYS A 27 87.672 7.227 -3.539 1.00 0.00 H new ATOM 0 HB3 LYS A 27 88.991 8.349 -3.272 1.00 0.00 H new ATOM 0 HG2 LYS A 27 89.893 7.889 -5.506 1.00 0.00 H new ATOM 0 HG3 LYS A 27 88.681 6.652 -5.777 1.00 0.00 H new ATOM 0 HD2 LYS A 27 86.898 8.424 -5.470 1.00 0.00 H new ATOM 0 HD3 LYS A 27 88.171 9.626 -5.380 1.00 0.00 H new ATOM 0 HE2 LYS A 27 88.950 9.001 -7.644 1.00 0.00 H new ATOM 0 HE3 LYS A 27 87.729 7.747 -7.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 86.656 9.428 -8.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 86.148 9.767 -7.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 87.419 10.655 -7.898 1.00 0.00 H new ATOM 447 N PRO A 28 89.850 6.788 -0.818 1.00 0.00 N ATOM 448 CA PRO A 28 89.668 6.598 0.631 1.00 0.00 C ATOM 449 C PRO A 28 88.201 6.501 1.056 1.00 0.00 C ATOM 450 O PRO A 28 87.801 5.543 1.718 1.00 0.00 O ATOM 451 CB PRO A 28 90.313 7.849 1.228 1.00 0.00 C ATOM 452 CG PRO A 28 91.351 8.246 0.237 1.00 0.00 C ATOM 453 CD PRO A 28 90.795 7.884 -1.112 1.00 0.00 C ATOM 0 HA PRO A 28 90.107 5.658 0.967 1.00 0.00 H new ATOM 0 HB2 PRO A 28 89.580 8.642 1.373 1.00 0.00 H new ATOM 0 HB3 PRO A 28 90.754 7.641 2.203 1.00 0.00 H new ATOM 0 HG2 PRO A 28 91.561 9.314 0.299 1.00 0.00 H new ATOM 0 HG3 PRO A 28 92.290 7.725 0.425 1.00 0.00 H new ATOM 0 HD2 PRO A 28 90.293 8.731 -1.579 1.00 0.00 H new ATOM 0 HD3 PRO A 28 91.581 7.563 -1.796 1.00 0.00 H new ATOM 461 N GLU A 29 87.401 7.485 0.662 1.00 0.00 N ATOM 462 CA GLU A 29 86.002 7.538 1.073 1.00 0.00 C ATOM 463 C GLU A 29 85.185 6.464 0.361 1.00 0.00 C ATOM 464 O GLU A 29 84.290 5.859 0.949 1.00 0.00 O ATOM 465 CB GLU A 29 85.423 8.922 0.790 1.00 0.00 C ATOM 466 CG GLU A 29 83.985 9.096 1.247 1.00 0.00 C ATOM 467 CD GLU A 29 83.447 10.471 0.926 1.00 0.00 C ATOM 468 OE1 GLU A 29 82.971 10.676 -0.210 1.00 0.00 O ATOM 469 OE2 GLU A 29 83.512 11.360 1.799 1.00 0.00 O ATOM 0 H GLU A 29 87.695 8.255 0.061 1.00 0.00 H new ATOM 0 HA GLU A 29 85.951 7.347 2.145 1.00 0.00 H new ATOM 0 HB2 GLU A 29 86.043 9.671 1.282 1.00 0.00 H new ATOM 0 HB3 GLU A 29 85.479 9.116 -0.281 1.00 0.00 H new ATOM 0 HG2 GLU A 29 83.360 8.342 0.769 1.00 0.00 H new ATOM 0 HG3 GLU A 29 83.924 8.926 2.322 1.00 0.00 H new ATOM 476 N VAL A 30 85.510 6.218 -0.902 1.00 0.00 N ATOM 477 CA VAL A 30 84.804 5.213 -1.686 1.00 0.00 C ATOM 478 C VAL A 30 85.015 3.826 -1.082 1.00 0.00 C ATOM 479 O VAL A 30 84.084 3.027 -0.997 1.00 0.00 O ATOM 480 CB VAL A 30 85.267 5.216 -3.158 1.00 0.00 C ATOM 481 CG1 VAL A 30 84.472 4.217 -3.983 1.00 0.00 C ATOM 482 CG2 VAL A 30 85.150 6.612 -3.750 1.00 0.00 C ATOM 0 H VAL A 30 86.256 6.699 -1.404 1.00 0.00 H new ATOM 0 HA VAL A 30 83.743 5.462 -1.663 1.00 0.00 H new ATOM 0 HB VAL A 30 86.314 4.915 -3.184 1.00 0.00 H new ATOM 0 HG11 VAL A 30 84.819 4.240 -5.016 1.00 0.00 H new ATOM 0 HG12 VAL A 30 84.612 3.216 -3.576 1.00 0.00 H new ATOM 0 HG13 VAL A 30 83.414 4.478 -3.950 1.00 0.00 H new ATOM 0 HG21 VAL A 30 85.481 6.596 -4.789 1.00 0.00 H new ATOM 0 HG22 VAL A 30 84.112 6.940 -3.705 1.00 0.00 H new ATOM 0 HG23 VAL A 30 85.774 7.302 -3.181 1.00 0.00 H new ATOM 492 N PHE A 31 86.241 3.564 -0.640 1.00 0.00 N ATOM 493 CA PHE A 31 86.577 2.301 0.007 1.00 0.00 C ATOM 494 C PHE A 31 85.765 2.126 1.289 1.00 0.00 C ATOM 495 O PHE A 31 85.297 1.030 1.595 1.00 0.00 O ATOM 496 CB PHE A 31 88.078 2.259 0.318 1.00 0.00 C ATOM 497 CG PHE A 31 88.556 0.949 0.879 1.00 0.00 C ATOM 498 CD1 PHE A 31 88.855 -0.111 0.039 1.00 0.00 C ATOM 499 CD2 PHE A 31 88.714 0.781 2.245 1.00 0.00 C ATOM 500 CE1 PHE A 31 89.303 -1.313 0.551 1.00 0.00 C ATOM 501 CE2 PHE A 31 89.160 -0.419 2.763 1.00 0.00 C ATOM 502 CZ PHE A 31 89.456 -1.468 1.915 1.00 0.00 C ATOM 0 H PHE A 31 87.023 4.214 -0.719 1.00 0.00 H new ATOM 0 HA PHE A 31 86.332 1.482 -0.670 1.00 0.00 H new ATOM 0 HB2 PHE A 31 88.633 2.474 -0.595 1.00 0.00 H new ATOM 0 HB3 PHE A 31 88.313 3.052 1.028 1.00 0.00 H new ATOM 0 HD1 PHE A 31 88.736 0.004 -1.028 1.00 0.00 H new ATOM 0 HD2 PHE A 31 88.486 1.598 2.913 1.00 0.00 H new ATOM 0 HE1 PHE A 31 89.534 -2.131 -0.115 1.00 0.00 H new ATOM 0 HE2 PHE A 31 89.277 -0.537 3.830 1.00 0.00 H new ATOM 0 HZ PHE A 31 89.806 -2.407 2.317 1.00 0.00 H new ATOM 512 N TYR A 32 85.591 3.222 2.019 1.00 0.00 N ATOM 513 CA TYR A 32 84.827 3.221 3.263 1.00 0.00 C ATOM 514 C TYR A 32 83.381 2.794 3.006 1.00 0.00 C ATOM 515 O TYR A 32 82.813 1.990 3.751 1.00 0.00 O ATOM 516 CB TYR A 32 84.873 4.621 3.890 1.00 0.00 C ATOM 517 CG TYR A 32 84.239 4.723 5.261 1.00 0.00 C ATOM 518 CD1 TYR A 32 84.833 4.127 6.368 1.00 0.00 C ATOM 519 CD2 TYR A 32 83.057 5.427 5.453 1.00 0.00 C ATOM 520 CE1 TYR A 32 84.267 4.230 7.623 1.00 0.00 C ATOM 521 CE2 TYR A 32 82.487 5.537 6.706 1.00 0.00 C ATOM 522 CZ TYR A 32 83.096 4.936 7.788 1.00 0.00 C ATOM 523 OH TYR A 32 82.532 5.042 9.039 1.00 0.00 O ATOM 0 H TYR A 32 85.974 4.133 1.767 1.00 0.00 H new ATOM 0 HA TYR A 32 85.270 2.504 3.954 1.00 0.00 H new ATOM 0 HB2 TYR A 32 85.913 4.938 3.962 1.00 0.00 H new ATOM 0 HB3 TYR A 32 84.372 5.320 3.221 1.00 0.00 H new ATOM 0 HD1 TYR A 32 85.753 3.574 6.244 1.00 0.00 H new ATOM 0 HD2 TYR A 32 82.576 5.896 4.608 1.00 0.00 H new ATOM 0 HE1 TYR A 32 84.740 3.759 8.472 1.00 0.00 H new ATOM 0 HE2 TYR A 32 81.569 6.091 6.838 1.00 0.00 H new ATOM 0 HH TYR A 32 81.710 5.573 8.983 1.00 0.00 H new ATOM 533 N GLU A 33 82.805 3.326 1.934 1.00 0.00 N ATOM 534 CA GLU A 33 81.441 2.991 1.541 1.00 0.00 C ATOM 535 C GLU A 33 81.328 1.518 1.151 1.00 0.00 C ATOM 536 O GLU A 33 80.390 0.829 1.559 1.00 0.00 O ATOM 537 CB GLU A 33 81.003 3.874 0.370 1.00 0.00 C ATOM 538 CG GLU A 33 80.916 5.351 0.715 1.00 0.00 C ATOM 539 CD GLU A 33 79.768 5.669 1.653 1.00 0.00 C ATOM 540 OE1 GLU A 33 78.633 5.850 1.161 1.00 0.00 O ATOM 541 OE2 GLU A 33 79.992 5.742 2.879 1.00 0.00 O ATOM 0 H GLU A 33 83.265 3.996 1.318 1.00 0.00 H new ATOM 0 HA GLU A 33 80.787 3.170 2.395 1.00 0.00 H new ATOM 0 HB2 GLU A 33 81.705 3.744 -0.454 1.00 0.00 H new ATOM 0 HB3 GLU A 33 80.029 3.535 0.016 1.00 0.00 H new ATOM 0 HG2 GLU A 33 81.853 5.668 1.174 1.00 0.00 H new ATOM 0 HG3 GLU A 33 80.800 5.927 -0.203 1.00 0.00 H new ATOM 548 N VAL A 34 82.293 1.041 0.369 1.00 0.00 N ATOM 549 CA VAL A 34 82.301 -0.348 -0.087 1.00 0.00 C ATOM 550 C VAL A 34 82.489 -1.307 1.085 1.00 0.00 C ATOM 551 O VAL A 34 81.837 -2.351 1.155 1.00 0.00 O ATOM 552 CB VAL A 34 83.413 -0.599 -1.129 1.00 0.00 C ATOM 553 CG1 VAL A 34 83.431 -2.055 -1.574 1.00 0.00 C ATOM 554 CG2 VAL A 34 83.237 0.316 -2.327 1.00 0.00 C ATOM 0 H VAL A 34 83.081 1.596 0.037 1.00 0.00 H new ATOM 0 HA VAL A 34 81.334 -0.532 -0.555 1.00 0.00 H new ATOM 0 HB VAL A 34 84.370 -0.377 -0.656 1.00 0.00 H new ATOM 0 HG11 VAL A 34 84.224 -2.202 -2.307 1.00 0.00 H new ATOM 0 HG12 VAL A 34 83.611 -2.697 -0.712 1.00 0.00 H new ATOM 0 HG13 VAL A 34 82.471 -2.310 -2.022 1.00 0.00 H new ATOM 0 HG21 VAL A 34 84.030 0.125 -3.050 1.00 0.00 H new ATOM 0 HG22 VAL A 34 82.269 0.126 -2.791 1.00 0.00 H new ATOM 0 HG23 VAL A 34 83.286 1.355 -2.001 1.00 0.00 H new ATOM 564 N TRP A 35 83.374 -0.938 2.005 1.00 0.00 N ATOM 565 CA TRP A 35 83.657 -1.753 3.182 1.00 0.00 C ATOM 566 C TRP A 35 82.373 -2.052 3.950 1.00 0.00 C ATOM 567 O TRP A 35 82.096 -3.203 4.290 1.00 0.00 O ATOM 568 CB TRP A 35 84.670 -1.038 4.082 1.00 0.00 C ATOM 569 CG TRP A 35 85.040 -1.807 5.314 1.00 0.00 C ATOM 570 CD1 TRP A 35 85.538 -3.077 5.370 1.00 0.00 C ATOM 571 CD2 TRP A 35 84.959 -1.347 6.667 1.00 0.00 C ATOM 572 NE1 TRP A 35 85.759 -3.440 6.676 1.00 0.00 N ATOM 573 CE2 TRP A 35 85.415 -2.393 7.491 1.00 0.00 C ATOM 574 CE3 TRP A 35 84.543 -0.152 7.261 1.00 0.00 C ATOM 575 CZ2 TRP A 35 85.466 -2.279 8.878 1.00 0.00 C ATOM 576 CZ3 TRP A 35 84.596 -0.040 8.637 1.00 0.00 C ATOM 577 CH2 TRP A 35 85.055 -1.097 9.432 1.00 0.00 C ATOM 0 H TRP A 35 83.912 -0.073 1.957 1.00 0.00 H new ATOM 0 HA TRP A 35 84.085 -2.701 2.857 1.00 0.00 H new ATOM 0 HB2 TRP A 35 85.574 -0.837 3.506 1.00 0.00 H new ATOM 0 HB3 TRP A 35 84.260 -0.073 4.378 1.00 0.00 H new ATOM 0 HD1 TRP A 35 85.730 -3.705 4.512 1.00 0.00 H new ATOM 0 HE1 TRP A 35 86.120 -4.341 6.988 1.00 0.00 H new ATOM 0 HE3 TRP A 35 84.187 0.668 6.656 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 85.817 -3.094 9.494 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 84.278 0.879 9.107 1.00 0.00 H new ATOM 0 HH2 TRP A 35 85.085 -0.977 10.505 1.00 0.00 H new ATOM 588 N LYS A 36 81.578 -1.020 4.193 1.00 0.00 N ATOM 589 CA LYS A 36 80.318 -1.184 4.904 1.00 0.00 C ATOM 590 C LYS A 36 79.278 -1.881 4.033 1.00 0.00 C ATOM 591 O LYS A 36 78.429 -2.614 4.537 1.00 0.00 O ATOM 592 CB LYS A 36 79.793 0.168 5.387 1.00 0.00 C ATOM 593 CG LYS A 36 80.598 0.743 6.540 1.00 0.00 C ATOM 594 CD LYS A 36 80.020 2.059 7.029 1.00 0.00 C ATOM 595 CE LYS A 36 80.653 2.485 8.345 1.00 0.00 C ATOM 596 NZ LYS A 36 80.328 1.540 9.448 1.00 0.00 N ATOM 0 H LYS A 36 81.782 -0.062 3.909 1.00 0.00 H new ATOM 0 HA LYS A 36 80.505 -1.815 5.773 1.00 0.00 H new ATOM 0 HB2 LYS A 36 79.805 0.873 4.556 1.00 0.00 H new ATOM 0 HB3 LYS A 36 78.754 0.058 5.697 1.00 0.00 H new ATOM 0 HG2 LYS A 36 80.619 0.027 7.362 1.00 0.00 H new ATOM 0 HG3 LYS A 36 81.630 0.894 6.223 1.00 0.00 H new ATOM 0 HD2 LYS A 36 80.183 2.832 6.278 1.00 0.00 H new ATOM 0 HD3 LYS A 36 78.942 1.960 7.157 1.00 0.00 H new ATOM 0 HE2 LYS A 36 81.735 2.545 8.225 1.00 0.00 H new ATOM 0 HE3 LYS A 36 80.306 3.484 8.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 80.291 2.058 10.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 79.405 1.097 9.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 81.061 0.804 9.502 1.00 0.00 H new ATOM 610 N TYR A 37 79.361 -1.666 2.727 1.00 0.00 N ATOM 611 CA TYR A 37 78.422 -2.268 1.785 1.00 0.00 C ATOM 612 C TYR A 37 78.523 -3.792 1.801 1.00 0.00 C ATOM 613 O TYR A 37 77.509 -4.491 1.816 1.00 0.00 O ATOM 614 CB TYR A 37 78.678 -1.737 0.369 1.00 0.00 C ATOM 615 CG TYR A 37 77.794 -2.353 -0.695 1.00 0.00 C ATOM 616 CD1 TYR A 37 76.423 -2.130 -0.702 1.00 0.00 C ATOM 617 CD2 TYR A 37 78.333 -3.154 -1.695 1.00 0.00 C ATOM 618 CE1 TYR A 37 75.615 -2.685 -1.673 1.00 0.00 C ATOM 619 CE2 TYR A 37 77.530 -3.715 -2.670 1.00 0.00 C ATOM 620 CZ TYR A 37 76.171 -3.477 -2.655 1.00 0.00 C ATOM 621 OH TYR A 37 75.365 -4.030 -3.624 1.00 0.00 O ATOM 0 H TYR A 37 80.071 -1.077 2.293 1.00 0.00 H new ATOM 0 HA TYR A 37 77.413 -1.993 2.093 1.00 0.00 H new ATOM 0 HB2 TYR A 37 78.532 -0.657 0.366 1.00 0.00 H new ATOM 0 HB3 TYR A 37 79.721 -1.918 0.108 1.00 0.00 H new ATOM 0 HD1 TYR A 37 75.982 -1.512 0.066 1.00 0.00 H new ATOM 0 HD2 TYR A 37 79.397 -3.341 -1.710 1.00 0.00 H new ATOM 0 HE1 TYR A 37 74.551 -2.500 -1.664 1.00 0.00 H new ATOM 0 HE2 TYR A 37 77.964 -4.336 -3.439 1.00 0.00 H new ATOM 0 HH TYR A 37 75.912 -4.560 -4.241 1.00 0.00 H new ATOM 631 N VAL A 38 79.748 -4.305 1.816 1.00 0.00 N ATOM 632 CA VAL A 38 79.964 -5.748 1.767 1.00 0.00 C ATOM 633 C VAL A 38 79.778 -6.399 3.140 1.00 0.00 C ATOM 634 O VAL A 38 79.810 -7.624 3.261 1.00 0.00 O ATOM 635 CB VAL A 38 81.357 -6.102 1.200 1.00 0.00 C ATOM 636 CG1 VAL A 38 81.495 -5.598 -0.229 1.00 0.00 C ATOM 637 CG2 VAL A 38 82.466 -5.538 2.074 1.00 0.00 C ATOM 0 H VAL A 38 80.602 -3.749 1.861 1.00 0.00 H new ATOM 0 HA VAL A 38 79.207 -6.148 1.092 1.00 0.00 H new ATOM 0 HB VAL A 38 81.452 -7.188 1.197 1.00 0.00 H new ATOM 0 HG11 VAL A 38 82.482 -5.856 -0.612 1.00 0.00 H new ATOM 0 HG12 VAL A 38 80.731 -6.061 -0.853 1.00 0.00 H new ATOM 0 HG13 VAL A 38 81.371 -4.515 -0.247 1.00 0.00 H new ATOM 0 HG21 VAL A 38 83.434 -5.803 1.650 1.00 0.00 H new ATOM 0 HG22 VAL A 38 82.376 -4.453 2.121 1.00 0.00 H new ATOM 0 HG23 VAL A 38 82.384 -5.953 3.079 1.00 0.00 H new ATOM 647 N GLY A 39 79.577 -5.582 4.171 1.00 0.00 N ATOM 648 CA GLY A 39 79.273 -6.115 5.488 1.00 0.00 C ATOM 649 C GLY A 39 80.409 -5.967 6.484 1.00 0.00 C ATOM 650 O GLY A 39 80.373 -6.572 7.558 1.00 0.00 O ATOM 0 H GLY A 39 79.619 -4.564 4.118 1.00 0.00 H new ATOM 0 HA2 GLY A 39 78.390 -5.610 5.880 1.00 0.00 H new ATOM 0 HA3 GLY A 39 79.020 -7.171 5.393 1.00 0.00 H new ATOM 654 N GLU A 40 81.406 -5.162 6.126 1.00 0.00 N ATOM 655 CA GLU A 40 82.563 -4.898 6.987 1.00 0.00 C ATOM 656 C GLU A 40 83.264 -6.191 7.412 1.00 0.00 C ATOM 657 O GLU A 40 83.062 -6.682 8.524 1.00 0.00 O ATOM 658 CB GLU A 40 82.156 -4.091 8.226 1.00 0.00 C ATOM 659 CG GLU A 40 81.476 -2.771 7.903 1.00 0.00 C ATOM 660 CD GLU A 40 81.082 -1.998 9.144 1.00 0.00 C ATOM 661 OE1 GLU A 40 80.364 -2.559 9.997 1.00 0.00 O ATOM 662 OE2 GLU A 40 81.485 -0.824 9.276 1.00 0.00 O ATOM 0 H GLU A 40 81.438 -4.673 5.232 1.00 0.00 H new ATOM 0 HA GLU A 40 83.267 -4.310 6.399 1.00 0.00 H new ATOM 0 HB2 GLU A 40 81.485 -4.695 8.837 1.00 0.00 H new ATOM 0 HB3 GLU A 40 83.044 -3.894 8.827 1.00 0.00 H new ATOM 0 HG2 GLU A 40 82.146 -2.161 7.297 1.00 0.00 H new ATOM 0 HG3 GLU A 40 80.587 -2.962 7.302 1.00 0.00 H new ATOM 669 N PRO A 41 84.073 -6.778 6.518 1.00 0.00 N ATOM 670 CA PRO A 41 84.862 -7.961 6.825 1.00 0.00 C ATOM 671 C PRO A 41 86.257 -7.603 7.335 1.00 0.00 C ATOM 672 O PRO A 41 86.602 -6.422 7.439 1.00 0.00 O ATOM 673 CB PRO A 41 84.946 -8.651 5.469 1.00 0.00 C ATOM 674 CG PRO A 41 84.959 -7.532 4.473 1.00 0.00 C ATOM 675 CD PRO A 41 84.273 -6.351 5.123 1.00 0.00 C ATOM 0 HA PRO A 41 84.424 -8.573 7.614 1.00 0.00 H new ATOM 0 HB2 PRO A 41 85.846 -9.262 5.390 1.00 0.00 H new ATOM 0 HB3 PRO A 41 84.096 -9.314 5.309 1.00 0.00 H new ATOM 0 HG2 PRO A 41 85.981 -7.277 4.193 1.00 0.00 H new ATOM 0 HG3 PRO A 41 84.441 -7.823 3.559 1.00 0.00 H new ATOM 0 HD2 PRO A 41 84.886 -5.452 5.065 1.00 0.00 H new ATOM 0 HD3 PRO A 41 83.325 -6.122 4.636 1.00 0.00 H new ATOM 683 N GLU A 42 87.047 -8.623 7.653 1.00 0.00 N ATOM 684 CA GLU A 42 88.427 -8.423 8.076 1.00 0.00 C ATOM 685 C GLU A 42 89.249 -7.785 6.964 1.00 0.00 C ATOM 686 O GLU A 42 89.330 -8.315 5.854 1.00 0.00 O ATOM 687 CB GLU A 42 89.062 -9.752 8.493 1.00 0.00 C ATOM 688 CG GLU A 42 88.617 -10.236 9.862 1.00 0.00 C ATOM 689 CD GLU A 42 89.109 -9.339 10.980 1.00 0.00 C ATOM 690 OE1 GLU A 42 88.445 -8.322 11.272 1.00 0.00 O ATOM 691 OE2 GLU A 42 90.163 -9.646 11.575 1.00 0.00 O ATOM 0 H GLU A 42 86.753 -9.599 7.625 1.00 0.00 H new ATOM 0 HA GLU A 42 88.418 -7.750 8.934 1.00 0.00 H new ATOM 0 HB2 GLU A 42 88.816 -10.511 7.751 1.00 0.00 H new ATOM 0 HB3 GLU A 42 90.147 -9.643 8.490 1.00 0.00 H new ATOM 0 HG2 GLU A 42 87.528 -10.284 9.891 1.00 0.00 H new ATOM 0 HG3 GLU A 42 88.986 -11.249 10.024 1.00 0.00 H new ATOM 698 N LEU A 43 89.846 -6.647 7.268 1.00 0.00 N ATOM 699 CA LEU A 43 90.671 -5.940 6.307 1.00 0.00 C ATOM 700 C LEU A 43 92.126 -6.358 6.439 1.00 0.00 C ATOM 701 O LEU A 43 92.673 -6.406 7.542 1.00 0.00 O ATOM 702 CB LEU A 43 90.543 -4.429 6.498 1.00 0.00 C ATOM 703 CG LEU A 43 89.178 -3.842 6.132 1.00 0.00 C ATOM 704 CD1 LEU A 43 89.156 -2.344 6.400 1.00 0.00 C ATOM 705 CD2 LEU A 43 88.852 -4.131 4.674 1.00 0.00 C ATOM 0 H LEU A 43 89.774 -6.191 8.178 1.00 0.00 H new ATOM 0 HA LEU A 43 90.322 -6.199 5.307 1.00 0.00 H new ATOM 0 HB2 LEU A 43 90.756 -4.191 7.540 1.00 0.00 H new ATOM 0 HB3 LEU A 43 91.306 -3.936 5.896 1.00 0.00 H new ATOM 0 HG LEU A 43 88.417 -4.313 6.755 1.00 0.00 H new ATOM 0 HD11 LEU A 43 88.179 -1.941 6.135 1.00 0.00 H new ATOM 0 HD12 LEU A 43 89.349 -2.161 7.457 1.00 0.00 H new ATOM 0 HD13 LEU A 43 89.924 -1.856 5.801 1.00 0.00 H new ATOM 0 HD21 LEU A 43 87.878 -3.708 4.428 1.00 0.00 H new ATOM 0 HD22 LEU A 43 89.614 -3.684 4.035 1.00 0.00 H new ATOM 0 HD23 LEU A 43 88.830 -5.209 4.513 1.00 0.00 H new ATOM 717 N LYS A 44 92.747 -6.663 5.313 1.00 0.00 N ATOM 718 CA LYS A 44 94.144 -7.054 5.298 1.00 0.00 C ATOM 719 C LYS A 44 95.002 -5.851 4.946 1.00 0.00 C ATOM 720 O LYS A 44 94.652 -5.072 4.063 1.00 0.00 O ATOM 721 CB LYS A 44 94.382 -8.174 4.285 1.00 0.00 C ATOM 722 CG LYS A 44 93.483 -9.382 4.485 1.00 0.00 C ATOM 723 CD LYS A 44 93.824 -10.495 3.507 1.00 0.00 C ATOM 724 CE LYS A 44 92.886 -11.677 3.667 1.00 0.00 C ATOM 725 NZ LYS A 44 93.299 -12.834 2.830 1.00 0.00 N ATOM 0 H LYS A 44 92.303 -6.647 4.395 1.00 0.00 H new ATOM 0 HA LYS A 44 94.415 -7.422 6.287 1.00 0.00 H new ATOM 0 HB2 LYS A 44 94.229 -7.781 3.280 1.00 0.00 H new ATOM 0 HB3 LYS A 44 95.423 -8.493 4.347 1.00 0.00 H new ATOM 0 HG2 LYS A 44 93.586 -9.749 5.506 1.00 0.00 H new ATOM 0 HG3 LYS A 44 92.441 -9.088 4.355 1.00 0.00 H new ATOM 0 HD2 LYS A 44 93.764 -10.116 2.487 1.00 0.00 H new ATOM 0 HD3 LYS A 44 94.852 -10.820 3.667 1.00 0.00 H new ATOM 0 HE2 LYS A 44 92.859 -11.979 4.714 1.00 0.00 H new ATOM 0 HE3 LYS A 44 91.874 -11.376 3.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 92.866 -13.703 3.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 92.986 -12.683 1.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 94.335 -12.926 2.852 1.00 0.00 H new ATOM 739 N THR A 45 96.110 -5.690 5.639 1.00 0.00 N ATOM 740 CA THR A 45 96.995 -4.570 5.380 1.00 0.00 C ATOM 741 C THR A 45 98.393 -5.057 5.028 1.00 0.00 C ATOM 742 O THR A 45 98.928 -5.961 5.673 1.00 0.00 O ATOM 743 CB THR A 45 97.062 -3.616 6.588 1.00 0.00 C ATOM 744 OG1 THR A 45 97.358 -4.345 7.787 1.00 0.00 O ATOM 745 CG2 THR A 45 95.751 -2.863 6.761 1.00 0.00 C ATOM 0 H THR A 45 96.420 -6.316 6.382 1.00 0.00 H new ATOM 0 HA THR A 45 96.586 -4.021 4.531 1.00 0.00 H new ATOM 0 HB THR A 45 97.858 -2.895 6.399 1.00 0.00 H new ATOM 0 HG1 THR A 45 96.824 -3.988 8.527 1.00 0.00 H new ATOM 0 HG21 THR A 45 95.825 -2.197 7.620 1.00 0.00 H new ATOM 0 HG22 THR A 45 95.547 -2.278 5.864 1.00 0.00 H new ATOM 0 HG23 THR A 45 94.941 -3.575 6.922 1.00 0.00 H new ATOM 753 N TYR A 46 98.980 -4.465 4.001 1.00 0.00 N ATOM 754 CA TYR A 46 100.321 -4.837 3.589 1.00 0.00 C ATOM 755 C TYR A 46 101.233 -3.623 3.606 1.00 0.00 C ATOM 756 O TYR A 46 100.842 -2.529 3.190 1.00 0.00 O ATOM 757 CB TYR A 46 100.313 -5.502 2.201 1.00 0.00 C ATOM 758 CG TYR A 46 100.084 -4.559 1.035 1.00 0.00 C ATOM 759 CD1 TYR A 46 98.826 -4.036 0.767 1.00 0.00 C ATOM 760 CD2 TYR A 46 101.132 -4.206 0.193 1.00 0.00 C ATOM 761 CE1 TYR A 46 98.619 -3.187 -0.304 1.00 0.00 C ATOM 762 CE2 TYR A 46 100.933 -3.355 -0.878 1.00 0.00 C ATOM 763 CZ TYR A 46 99.676 -2.849 -1.123 1.00 0.00 C ATOM 764 OH TYR A 46 99.474 -2.002 -2.190 1.00 0.00 O ATOM 0 H TYR A 46 98.551 -3.729 3.441 1.00 0.00 H new ATOM 0 HA TYR A 46 100.706 -5.568 4.300 1.00 0.00 H new ATOM 0 HB2 TYR A 46 101.265 -6.011 2.054 1.00 0.00 H new ATOM 0 HB3 TYR A 46 99.537 -6.267 2.187 1.00 0.00 H new ATOM 0 HD1 TYR A 46 97.995 -4.297 1.406 1.00 0.00 H new ATOM 0 HD2 TYR A 46 102.119 -4.603 0.379 1.00 0.00 H new ATOM 0 HE1 TYR A 46 97.634 -2.790 -0.499 1.00 0.00 H new ATOM 0 HE2 TYR A 46 101.760 -3.088 -1.520 1.00 0.00 H new ATOM 0 HH TYR A 46 100.321 -1.865 -2.664 1.00 0.00 H new ATOM 774 N VAL A 47 102.432 -3.810 4.124 1.00 0.00 N ATOM 775 CA VAL A 47 103.415 -2.746 4.165 1.00 0.00 C ATOM 776 C VAL A 47 104.366 -2.871 2.984 1.00 0.00 C ATOM 777 O VAL A 47 105.225 -3.756 2.955 1.00 0.00 O ATOM 778 CB VAL A 47 104.223 -2.765 5.479 1.00 0.00 C ATOM 779 CG1 VAL A 47 105.206 -1.605 5.524 1.00 0.00 C ATOM 780 CG2 VAL A 47 103.295 -2.726 6.684 1.00 0.00 C ATOM 0 H VAL A 47 102.749 -4.693 4.524 1.00 0.00 H new ATOM 0 HA VAL A 47 102.877 -1.799 4.111 1.00 0.00 H new ATOM 0 HB VAL A 47 104.790 -3.695 5.514 1.00 0.00 H new ATOM 0 HG11 VAL A 47 105.765 -1.638 6.459 1.00 0.00 H new ATOM 0 HG12 VAL A 47 105.898 -1.681 4.685 1.00 0.00 H new ATOM 0 HG13 VAL A 47 104.661 -0.663 5.460 1.00 0.00 H new ATOM 0 HG21 VAL A 47 103.887 -2.740 7.599 1.00 0.00 H new ATOM 0 HG22 VAL A 47 102.696 -1.816 6.653 1.00 0.00 H new ATOM 0 HG23 VAL A 47 102.636 -3.594 6.664 1.00 0.00 H new ATOM 790 N ILE A 48 104.190 -2.007 2.001 1.00 0.00 N ATOM 791 CA ILE A 48 105.045 -2.005 0.828 1.00 0.00 C ATOM 792 C ILE A 48 106.086 -0.898 0.938 1.00 0.00 C ATOM 793 O ILE A 48 105.757 0.289 0.932 1.00 0.00 O ATOM 794 CB ILE A 48 104.228 -1.856 -0.485 1.00 0.00 C ATOM 795 CG1 ILE A 48 105.165 -1.720 -1.692 1.00 0.00 C ATOM 796 CG2 ILE A 48 103.269 -0.672 -0.407 1.00 0.00 C ATOM 797 CD1 ILE A 48 104.441 -1.638 -3.020 1.00 0.00 C ATOM 0 H ILE A 48 103.460 -1.295 1.992 1.00 0.00 H new ATOM 0 HA ILE A 48 105.552 -2.969 0.787 1.00 0.00 H new ATOM 0 HB ILE A 48 103.631 -2.759 -0.614 1.00 0.00 H new ATOM 0 HG12 ILE A 48 105.777 -0.827 -1.566 1.00 0.00 H new ATOM 0 HG13 ILE A 48 105.844 -2.572 -1.711 1.00 0.00 H new ATOM 0 HG21 ILE A 48 102.711 -0.593 -1.340 1.00 0.00 H new ATOM 0 HG22 ILE A 48 102.574 -0.820 0.420 1.00 0.00 H new ATOM 0 HG23 ILE A 48 103.835 0.245 -0.244 1.00 0.00 H new ATOM 0 HD11 ILE A 48 105.169 -1.543 -3.826 1.00 0.00 H new ATOM 0 HD12 ILE A 48 103.850 -2.542 -3.169 1.00 0.00 H new ATOM 0 HD13 ILE A 48 103.782 -0.770 -3.022 1.00 0.00 H new ATOM 809 N GLU A 49 107.340 -1.290 1.083 1.00 0.00 N ATOM 810 CA GLU A 49 108.423 -0.329 1.156 1.00 0.00 C ATOM 811 C GLU A 49 109.009 -0.116 -0.229 1.00 0.00 C ATOM 812 O GLU A 49 109.620 -1.020 -0.803 1.00 0.00 O ATOM 813 CB GLU A 49 109.512 -0.794 2.127 1.00 0.00 C ATOM 814 CG GLU A 49 110.674 0.182 2.244 1.00 0.00 C ATOM 815 CD GLU A 49 111.752 -0.303 3.187 1.00 0.00 C ATOM 816 OE1 GLU A 49 112.538 -1.190 2.793 1.00 0.00 O ATOM 817 OE2 GLU A 49 111.821 0.194 4.328 1.00 0.00 O ATOM 0 H GLU A 49 107.631 -2.265 1.152 1.00 0.00 H new ATOM 0 HA GLU A 49 108.024 0.614 1.530 1.00 0.00 H new ATOM 0 HB2 GLU A 49 109.071 -0.942 3.113 1.00 0.00 H new ATOM 0 HB3 GLU A 49 109.892 -1.762 1.799 1.00 0.00 H new ATOM 0 HG2 GLU A 49 111.107 0.345 1.257 1.00 0.00 H new ATOM 0 HG3 GLU A 49 110.300 1.145 2.591 1.00 0.00 H new ATOM 1177 N LYS A 72 107.847 3.046 3.752 1.00 0.00 N ATOM 1178 CA LYS A 72 106.982 1.929 4.104 1.00 0.00 C ATOM 1179 C LYS A 72 105.523 2.357 4.029 1.00 0.00 C ATOM 1180 O LYS A 72 105.027 3.059 4.909 1.00 0.00 O ATOM 1181 CB LYS A 72 107.291 1.409 5.510 1.00 0.00 C ATOM 1182 CG LYS A 72 108.551 0.563 5.603 1.00 0.00 C ATOM 1183 CD LYS A 72 108.705 -0.027 6.996 1.00 0.00 C ATOM 1184 CE LYS A 72 109.828 -1.051 7.060 1.00 0.00 C ATOM 1185 NZ LYS A 72 111.156 -0.455 6.763 1.00 0.00 N ATOM 0 HA LYS A 72 107.166 1.125 3.392 1.00 0.00 H new ATOM 0 HB2 LYS A 72 107.388 2.259 6.186 1.00 0.00 H new ATOM 0 HB3 LYS A 72 106.444 0.818 5.860 1.00 0.00 H new ATOM 0 HG2 LYS A 72 108.511 -0.239 4.866 1.00 0.00 H new ATOM 0 HG3 LYS A 72 109.422 1.173 5.363 1.00 0.00 H new ATOM 0 HD2 LYS A 72 108.903 0.773 7.709 1.00 0.00 H new ATOM 0 HD3 LYS A 72 107.768 -0.497 7.296 1.00 0.00 H new ATOM 0 HE2 LYS A 72 109.849 -1.502 8.052 1.00 0.00 H new ATOM 0 HE3 LYS A 72 109.626 -1.853 6.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 111.897 -0.997 7.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 111.327 -0.481 5.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 111.175 0.531 7.092 1.00 0.00 H new ATOM 1199 N ILE A 73 104.846 1.953 2.969 1.00 0.00 N ATOM 1200 CA ILE A 73 103.455 2.317 2.776 1.00 0.00 C ATOM 1201 C ILE A 73 102.535 1.184 3.220 1.00 0.00 C ATOM 1202 O ILE A 73 102.470 0.136 2.579 1.00 0.00 O ATOM 1203 CB ILE A 73 103.161 2.661 1.302 1.00 0.00 C ATOM 1204 CG1 ILE A 73 104.141 3.727 0.798 1.00 0.00 C ATOM 1205 CG2 ILE A 73 101.726 3.143 1.144 1.00 0.00 C ATOM 1206 CD1 ILE A 73 103.988 4.053 -0.673 1.00 0.00 C ATOM 0 H ILE A 73 105.238 1.372 2.228 1.00 0.00 H new ATOM 0 HA ILE A 73 103.266 3.200 3.386 1.00 0.00 H new ATOM 0 HB ILE A 73 103.290 1.759 0.704 1.00 0.00 H new ATOM 0 HG12 ILE A 73 104.001 4.639 1.379 1.00 0.00 H new ATOM 0 HG13 ILE A 73 105.160 3.386 0.981 1.00 0.00 H new ATOM 0 HG21 ILE A 73 101.535 3.381 0.098 1.00 0.00 H new ATOM 0 HG22 ILE A 73 101.041 2.359 1.468 1.00 0.00 H new ATOM 0 HG23 ILE A 73 101.572 4.034 1.753 1.00 0.00 H new ATOM 0 HD11 ILE A 73 104.715 4.815 -0.954 1.00 0.00 H new ATOM 0 HD12 ILE A 73 104.157 3.153 -1.265 1.00 0.00 H new ATOM 0 HD13 ILE A 73 102.981 4.426 -0.860 1.00 0.00 H new ATOM 1218 N LYS A 74 101.843 1.390 4.328 1.00 0.00 N ATOM 1219 CA LYS A 74 100.879 0.414 4.811 1.00 0.00 C ATOM 1220 C LYS A 74 99.521 0.666 4.163 1.00 0.00 C ATOM 1221 O LYS A 74 98.815 1.608 4.524 1.00 0.00 O ATOM 1222 CB LYS A 74 100.762 0.486 6.340 1.00 0.00 C ATOM 1223 CG LYS A 74 99.844 -0.567 6.947 1.00 0.00 C ATOM 1224 CD LYS A 74 99.666 -0.346 8.442 1.00 0.00 C ATOM 1225 CE LYS A 74 98.686 -1.336 9.059 1.00 0.00 C ATOM 1226 NZ LYS A 74 99.249 -2.709 9.160 1.00 0.00 N ATOM 0 H LYS A 74 101.930 2.223 4.910 1.00 0.00 H new ATOM 0 HA LYS A 74 101.222 -0.585 4.541 1.00 0.00 H new ATOM 0 HB2 LYS A 74 101.756 0.379 6.774 1.00 0.00 H new ATOM 0 HB3 LYS A 74 100.397 1.474 6.619 1.00 0.00 H new ATOM 0 HG2 LYS A 74 98.873 -0.534 6.454 1.00 0.00 H new ATOM 0 HG3 LYS A 74 100.258 -1.560 6.770 1.00 0.00 H new ATOM 0 HD2 LYS A 74 100.632 -0.437 8.938 1.00 0.00 H new ATOM 0 HD3 LYS A 74 99.312 0.670 8.617 1.00 0.00 H new ATOM 0 HE2 LYS A 74 98.402 -0.989 10.053 1.00 0.00 H new ATOM 0 HE3 LYS A 74 97.776 -1.363 8.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 98.614 -3.381 8.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 100.184 -2.735 8.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 99.344 -2.973 10.162 1.00 0.00 H new ATOM 1240 N LYS A 75 99.175 -0.150 3.181 1.00 0.00 N ATOM 1241 CA LYS A 75 97.889 -0.023 2.507 1.00 0.00 C ATOM 1242 C LYS A 75 96.943 -1.123 2.962 1.00 0.00 C ATOM 1243 O LYS A 75 97.372 -2.122 3.541 1.00 0.00 O ATOM 1244 CB LYS A 75 98.052 -0.071 0.986 1.00 0.00 C ATOM 1245 CG LYS A 75 98.803 1.115 0.404 1.00 0.00 C ATOM 1246 CD LYS A 75 98.789 1.089 -1.118 1.00 0.00 C ATOM 1247 CE LYS A 75 99.540 2.274 -1.705 1.00 0.00 C ATOM 1248 NZ LYS A 75 99.448 2.312 -3.190 1.00 0.00 N ATOM 0 H LYS A 75 99.764 -0.906 2.832 1.00 0.00 H new ATOM 0 HA LYS A 75 97.467 0.946 2.774 1.00 0.00 H new ATOM 0 HB2 LYS A 75 98.577 -0.987 0.717 1.00 0.00 H new ATOM 0 HB3 LYS A 75 97.065 -0.123 0.527 1.00 0.00 H new ATOM 0 HG2 LYS A 75 98.352 2.042 0.758 1.00 0.00 H new ATOM 0 HG3 LYS A 75 99.833 1.105 0.760 1.00 0.00 H new ATOM 0 HD2 LYS A 75 99.239 0.161 -1.471 1.00 0.00 H new ATOM 0 HD3 LYS A 75 97.759 1.098 -1.473 1.00 0.00 H new ATOM 0 HE2 LYS A 75 99.137 3.199 -1.293 1.00 0.00 H new ATOM 0 HE3 LYS A 75 100.587 2.223 -1.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 99.973 3.135 -3.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 99.856 1.441 -3.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 98.450 2.387 -3.474 1.00 0.00 H new ATOM 1262 N VAL A 76 95.662 -0.936 2.693 1.00 0.00 N ATOM 1263 CA VAL A 76 94.649 -1.902 3.079 1.00 0.00 C ATOM 1264 C VAL A 76 93.976 -2.474 1.837 1.00 0.00 C ATOM 1265 O VAL A 76 93.749 -1.759 0.858 1.00 0.00 O ATOM 1266 CB VAL A 76 93.593 -1.270 4.019 1.00 0.00 C ATOM 1267 CG1 VAL A 76 92.888 -0.095 3.355 1.00 0.00 C ATOM 1268 CG2 VAL A 76 92.583 -2.307 4.483 1.00 0.00 C ATOM 0 H VAL A 76 95.298 -0.118 2.205 1.00 0.00 H new ATOM 0 HA VAL A 76 95.140 -2.707 3.625 1.00 0.00 H new ATOM 0 HB VAL A 76 94.121 -0.892 4.894 1.00 0.00 H new ATOM 0 HG11 VAL A 76 92.154 0.325 4.043 1.00 0.00 H new ATOM 0 HG12 VAL A 76 93.620 0.669 3.096 1.00 0.00 H new ATOM 0 HG13 VAL A 76 92.384 -0.437 2.451 1.00 0.00 H new ATOM 0 HG21 VAL A 76 91.854 -1.835 5.142 1.00 0.00 H new ATOM 0 HG22 VAL A 76 92.071 -2.729 3.618 1.00 0.00 H new ATOM 0 HG23 VAL A 76 93.099 -3.101 5.023 1.00 0.00 H new ATOM 1278 N TYR A 77 93.689 -3.764 1.869 1.00 0.00 N ATOM 1279 CA TYR A 77 93.053 -4.428 0.747 1.00 0.00 C ATOM 1280 C TYR A 77 92.178 -5.573 1.229 1.00 0.00 C ATOM 1281 O TYR A 77 92.425 -6.155 2.289 1.00 0.00 O ATOM 1282 CB TYR A 77 94.110 -4.960 -0.233 1.00 0.00 C ATOM 1283 CG TYR A 77 94.975 -6.078 0.322 1.00 0.00 C ATOM 1284 CD1 TYR A 77 96.037 -5.807 1.175 1.00 0.00 C ATOM 1285 CD2 TYR A 77 94.725 -7.408 -0.008 1.00 0.00 C ATOM 1286 CE1 TYR A 77 96.823 -6.822 1.684 1.00 0.00 C ATOM 1287 CE2 TYR A 77 95.508 -8.428 0.499 1.00 0.00 C ATOM 1288 CZ TYR A 77 96.555 -8.130 1.345 1.00 0.00 C ATOM 1289 OH TYR A 77 97.337 -9.142 1.856 1.00 0.00 O ATOM 0 H TYR A 77 93.888 -4.373 2.663 1.00 0.00 H new ATOM 0 HA TYR A 77 92.427 -3.699 0.233 1.00 0.00 H new ATOM 0 HB2 TYR A 77 93.607 -5.318 -1.131 1.00 0.00 H new ATOM 0 HB3 TYR A 77 94.755 -4.135 -0.536 1.00 0.00 H new ATOM 0 HD1 TYR A 77 96.252 -4.784 1.445 1.00 0.00 H new ATOM 0 HD2 TYR A 77 93.906 -7.646 -0.671 1.00 0.00 H new ATOM 0 HE1 TYR A 77 97.645 -6.591 2.345 1.00 0.00 H new ATOM 0 HE2 TYR A 77 95.300 -9.454 0.234 1.00 0.00 H new ATOM 0 HH TYR A 77 97.015 -10.005 1.521 1.00 0.00 H new ATOM 1299 N PHE A 78 91.152 -5.886 0.462 1.00 0.00 N ATOM 1300 CA PHE A 78 90.368 -7.080 0.703 1.00 0.00 C ATOM 1301 C PHE A 78 90.203 -7.839 -0.600 1.00 0.00 C ATOM 1302 O PHE A 78 90.110 -7.242 -1.675 1.00 0.00 O ATOM 1303 CB PHE A 78 89.006 -6.760 1.343 1.00 0.00 C ATOM 1304 CG PHE A 78 88.045 -5.999 0.469 1.00 0.00 C ATOM 1305 CD1 PHE A 78 88.054 -4.615 0.446 1.00 0.00 C ATOM 1306 CD2 PHE A 78 87.119 -6.671 -0.315 1.00 0.00 C ATOM 1307 CE1 PHE A 78 87.161 -3.915 -0.345 1.00 0.00 C ATOM 1308 CE2 PHE A 78 86.224 -5.979 -1.105 1.00 0.00 C ATOM 1309 CZ PHE A 78 86.246 -4.598 -1.121 1.00 0.00 C ATOM 0 H PHE A 78 90.842 -5.329 -0.334 1.00 0.00 H new ATOM 0 HA PHE A 78 90.900 -7.705 1.420 1.00 0.00 H new ATOM 0 HB2 PHE A 78 88.535 -7.696 1.642 1.00 0.00 H new ATOM 0 HB3 PHE A 78 89.177 -6.184 2.253 1.00 0.00 H new ATOM 0 HD1 PHE A 78 88.766 -4.076 1.053 1.00 0.00 H new ATOM 0 HD2 PHE A 78 87.098 -7.751 -0.307 1.00 0.00 H new ATOM 0 HE1 PHE A 78 87.180 -2.835 -0.356 1.00 0.00 H new ATOM 0 HE2 PHE A 78 85.508 -6.516 -1.709 1.00 0.00 H new ATOM 0 HZ PHE A 78 85.548 -4.053 -1.740 1.00 0.00 H new ATOM 1319 N GLU A 79 90.202 -9.154 -0.504 1.00 0.00 N ATOM 1320 CA GLU A 79 90.140 -10.000 -1.679 1.00 0.00 C ATOM 1321 C GLU A 79 88.735 -10.542 -1.864 1.00 0.00 C ATOM 1322 O GLU A 79 88.136 -11.066 -0.923 1.00 0.00 O ATOM 1323 CB GLU A 79 91.118 -11.165 -1.540 1.00 0.00 C ATOM 1324 CG GLU A 79 92.546 -10.744 -1.243 1.00 0.00 C ATOM 1325 CD GLU A 79 93.428 -11.929 -0.914 1.00 0.00 C ATOM 1326 OE1 GLU A 79 93.338 -12.439 0.223 1.00 0.00 O ATOM 1327 OE2 GLU A 79 94.190 -12.372 -1.792 1.00 0.00 O ATOM 0 H GLU A 79 90.244 -9.661 0.380 1.00 0.00 H new ATOM 0 HA GLU A 79 90.411 -9.402 -2.549 1.00 0.00 H new ATOM 0 HB2 GLU A 79 90.771 -11.823 -0.743 1.00 0.00 H new ATOM 0 HB3 GLU A 79 91.106 -11.747 -2.462 1.00 0.00 H new ATOM 0 HG2 GLU A 79 92.955 -10.215 -2.104 1.00 0.00 H new ATOM 0 HG3 GLU A 79 92.552 -10.044 -0.407 1.00 0.00 H new ATOM 1334 N THR A 80 88.214 -10.410 -3.066 1.00 0.00 N ATOM 1335 CA THR A 80 86.925 -10.987 -3.399 1.00 0.00 C ATOM 1336 C THR A 80 87.060 -12.494 -3.602 1.00 0.00 C ATOM 1337 O THR A 80 88.162 -13.042 -3.503 1.00 0.00 O ATOM 1338 CB THR A 80 86.357 -10.338 -4.671 1.00 0.00 C ATOM 1339 OG1 THR A 80 87.338 -10.386 -5.712 1.00 0.00 O ATOM 1340 CG2 THR A 80 85.955 -8.896 -4.410 1.00 0.00 C ATOM 0 H THR A 80 88.663 -9.907 -3.831 1.00 0.00 H new ATOM 0 HA THR A 80 86.239 -10.798 -2.573 1.00 0.00 H new ATOM 0 HB THR A 80 85.469 -10.892 -4.977 1.00 0.00 H new ATOM 0 HG1 THR A 80 86.890 -10.471 -6.580 1.00 0.00 H new ATOM 0 HG21 THR A 80 85.556 -8.458 -5.325 1.00 0.00 H new ATOM 0 HG22 THR A 80 85.193 -8.866 -3.631 1.00 0.00 H new ATOM 0 HG23 THR A 80 86.827 -8.328 -4.086 1.00 0.00 H new ATOM 1348 N LEU A 81 85.954 -13.165 -3.893 1.00 0.00 N ATOM 1349 CA LEU A 81 85.984 -14.608 -4.109 1.00 0.00 C ATOM 1350 C LEU A 81 86.687 -14.945 -5.417 1.00 0.00 C ATOM 1351 O LEU A 81 87.218 -16.042 -5.580 1.00 0.00 O ATOM 1352 CB LEU A 81 84.573 -15.203 -4.097 1.00 0.00 C ATOM 1353 CG LEU A 81 83.917 -15.321 -2.717 1.00 0.00 C ATOM 1354 CD1 LEU A 81 83.533 -13.956 -2.168 1.00 0.00 C ATOM 1355 CD2 LEU A 81 82.704 -16.230 -2.791 1.00 0.00 C ATOM 0 H LEU A 81 85.032 -12.739 -3.985 1.00 0.00 H new ATOM 0 HA LEU A 81 86.546 -15.051 -3.287 1.00 0.00 H new ATOM 0 HB2 LEU A 81 83.934 -14.590 -4.732 1.00 0.00 H new ATOM 0 HB3 LEU A 81 84.612 -16.195 -4.547 1.00 0.00 H new ATOM 0 HG LEU A 81 84.643 -15.759 -2.032 1.00 0.00 H new ATOM 0 HD11 LEU A 81 83.070 -14.075 -1.188 1.00 0.00 H new ATOM 0 HD12 LEU A 81 84.425 -13.337 -2.075 1.00 0.00 H new ATOM 0 HD13 LEU A 81 82.828 -13.476 -2.847 1.00 0.00 H new ATOM 0 HD21 LEU A 81 82.246 -16.306 -1.805 1.00 0.00 H new ATOM 0 HD22 LEU A 81 81.982 -15.817 -3.495 1.00 0.00 H new ATOM 0 HD23 LEU A 81 83.012 -17.221 -3.126 1.00 0.00 H new ATOM 1367 N ASP A 82 86.707 -13.995 -6.343 1.00 0.00 N ATOM 1368 CA ASP A 82 87.437 -14.167 -7.590 1.00 0.00 C ATOM 1369 C ASP A 82 88.869 -13.657 -7.421 1.00 0.00 C ATOM 1370 O ASP A 82 89.629 -13.546 -8.387 1.00 0.00 O ATOM 1371 CB ASP A 82 86.721 -13.458 -8.748 1.00 0.00 C ATOM 1372 CG ASP A 82 86.609 -11.960 -8.561 1.00 0.00 C ATOM 1373 OD1 ASP A 82 86.003 -11.518 -7.562 1.00 0.00 O ATOM 1374 OD2 ASP A 82 87.106 -11.217 -9.422 1.00 0.00 O ATOM 0 H ASP A 82 86.227 -13.100 -6.254 1.00 0.00 H new ATOM 0 HA ASP A 82 87.474 -15.228 -7.837 1.00 0.00 H new ATOM 0 HB2 ASP A 82 87.257 -13.662 -9.675 1.00 0.00 H new ATOM 0 HB3 ASP A 82 85.721 -13.878 -8.859 1.00 0.00 H new ATOM 1379 N ASN A 83 89.208 -13.349 -6.165 1.00 0.00 N ATOM 1380 CA ASN A 83 90.573 -13.017 -5.746 1.00 0.00 C ATOM 1381 C ASN A 83 91.082 -11.720 -6.359 1.00 0.00 C ATOM 1382 O ASN A 83 92.285 -11.551 -6.561 1.00 0.00 O ATOM 1383 CB ASN A 83 91.541 -14.165 -6.057 1.00 0.00 C ATOM 1384 CG ASN A 83 91.305 -15.400 -5.200 1.00 0.00 C ATOM 1385 OD1 ASN A 83 90.886 -15.212 -3.952 1.00 0.00 O flip ATOM 1386 ND2 ASN A 83 91.515 -16.525 -5.651 1.00 0.00 N flip ATOM 0 H ASN A 83 88.533 -13.323 -5.401 1.00 0.00 H new ATOM 0 HA ASN A 83 90.531 -12.868 -4.667 1.00 0.00 H new ATOM 0 HB2 ASN A 83 91.445 -14.437 -7.108 1.00 0.00 H new ATOM 0 HB3 ASN A 83 92.564 -13.819 -5.909 1.00 0.00 H new ATOM 0 HD21 ASN A 83 91.836 -16.637 -6.613 1.00 0.00 H new ATOM 0 HD22 ASN A 83 91.368 -17.346 -5.063 1.00 0.00 H new ATOM 1393 N VAL A 84 90.180 -10.791 -6.623 1.00 0.00 N ATOM 1394 CA VAL A 84 90.584 -9.463 -7.042 1.00 0.00 C ATOM 1395 C VAL A 84 90.808 -8.596 -5.810 1.00 0.00 C ATOM 1396 O VAL A 84 89.945 -8.510 -4.933 1.00 0.00 O ATOM 1397 CB VAL A 84 89.552 -8.814 -7.985 1.00 0.00 C ATOM 1398 CG1 VAL A 84 89.836 -7.329 -8.165 1.00 0.00 C ATOM 1399 CG2 VAL A 84 89.567 -9.512 -9.334 1.00 0.00 C ATOM 0 H VAL A 84 89.172 -10.931 -6.555 1.00 0.00 H new ATOM 0 HA VAL A 84 91.513 -9.549 -7.606 1.00 0.00 H new ATOM 0 HB VAL A 84 88.565 -8.922 -7.535 1.00 0.00 H new ATOM 0 HG11 VAL A 84 89.094 -6.895 -8.835 1.00 0.00 H new ATOM 0 HG12 VAL A 84 89.788 -6.829 -7.197 1.00 0.00 H new ATOM 0 HG13 VAL A 84 90.830 -7.198 -8.592 1.00 0.00 H new ATOM 0 HG21 VAL A 84 88.834 -9.046 -9.993 1.00 0.00 H new ATOM 0 HG22 VAL A 84 90.559 -9.427 -9.777 1.00 0.00 H new ATOM 0 HG23 VAL A 84 89.318 -10.565 -9.202 1.00 0.00 H new ATOM 1409 N ARG A 85 91.975 -7.977 -5.737 1.00 0.00 N ATOM 1410 CA ARG A 85 92.373 -7.244 -4.548 1.00 0.00 C ATOM 1411 C ARG A 85 92.004 -5.774 -4.659 1.00 0.00 C ATOM 1412 O ARG A 85 92.600 -5.027 -5.435 1.00 0.00 O ATOM 1413 CB ARG A 85 93.878 -7.390 -4.329 1.00 0.00 C ATOM 1414 CG ARG A 85 94.351 -8.830 -4.405 1.00 0.00 C ATOM 1415 CD ARG A 85 95.856 -8.937 -4.260 1.00 0.00 C ATOM 1416 NE ARG A 85 96.325 -10.286 -4.563 1.00 0.00 N ATOM 1417 CZ ARG A 85 97.086 -11.015 -3.751 1.00 0.00 C ATOM 1418 NH1 ARG A 85 97.455 -10.534 -2.571 1.00 0.00 N ATOM 1419 NH2 ARG A 85 97.486 -12.220 -4.127 1.00 0.00 N ATOM 0 H ARG A 85 92.664 -7.968 -6.489 1.00 0.00 H new ATOM 0 HA ARG A 85 91.839 -7.663 -3.695 1.00 0.00 H new ATOM 0 HB2 ARG A 85 94.407 -6.799 -5.077 1.00 0.00 H new ATOM 0 HB3 ARG A 85 94.139 -6.978 -3.354 1.00 0.00 H new ATOM 0 HG2 ARG A 85 93.868 -9.413 -3.621 1.00 0.00 H new ATOM 0 HG3 ARG A 85 94.046 -9.263 -5.358 1.00 0.00 H new ATOM 0 HD2 ARG A 85 96.339 -8.224 -4.928 1.00 0.00 H new ATOM 0 HD3 ARG A 85 96.145 -8.669 -3.244 1.00 0.00 H new ATOM 0 HE ARG A 85 96.051 -10.696 -5.456 1.00 0.00 H new ATOM 0 HH11 ARG A 85 97.155 -9.602 -2.284 1.00 0.00 H new ATOM 0 HH12 ARG A 85 98.038 -11.096 -1.951 1.00 0.00 H new ATOM 0 HH21 ARG A 85 97.211 -12.588 -5.038 1.00 0.00 H new ATOM 0 HH22 ARG A 85 98.070 -12.781 -3.506 1.00 0.00 H new ATOM 1433 N VAL A 86 91.007 -5.369 -3.893 1.00 0.00 N ATOM 1434 CA VAL A 86 90.631 -3.969 -3.816 1.00 0.00 C ATOM 1435 C VAL A 86 91.548 -3.257 -2.832 1.00 0.00 C ATOM 1436 O VAL A 86 91.494 -3.512 -1.630 1.00 0.00 O ATOM 1437 CB VAL A 86 89.161 -3.798 -3.380 1.00 0.00 C ATOM 1438 CG1 VAL A 86 88.786 -2.326 -3.319 1.00 0.00 C ATOM 1439 CG2 VAL A 86 88.235 -4.549 -4.324 1.00 0.00 C ATOM 0 H VAL A 86 90.442 -5.991 -3.315 1.00 0.00 H new ATOM 0 HA VAL A 86 90.734 -3.532 -4.809 1.00 0.00 H new ATOM 0 HB VAL A 86 89.048 -4.219 -2.381 1.00 0.00 H new ATOM 0 HG11 VAL A 86 87.745 -2.228 -3.010 1.00 0.00 H new ATOM 0 HG12 VAL A 86 89.428 -1.817 -2.600 1.00 0.00 H new ATOM 0 HG13 VAL A 86 88.916 -1.876 -4.303 1.00 0.00 H new ATOM 0 HG21 VAL A 86 87.202 -4.418 -4.002 1.00 0.00 H new ATOM 0 HG22 VAL A 86 88.352 -4.159 -5.335 1.00 0.00 H new ATOM 0 HG23 VAL A 86 88.486 -5.610 -4.313 1.00 0.00 H new ATOM 1449 N VAL A 87 92.399 -2.385 -3.353 1.00 0.00 N ATOM 1450 CA VAL A 87 93.446 -1.762 -2.554 1.00 0.00 C ATOM 1451 C VAL A 87 93.208 -0.262 -2.394 1.00 0.00 C ATOM 1452 O VAL A 87 92.827 0.427 -3.345 1.00 0.00 O ATOM 1453 CB VAL A 87 94.842 -1.982 -3.185 1.00 0.00 C ATOM 1454 CG1 VAL A 87 95.941 -1.435 -2.282 1.00 0.00 C ATOM 1455 CG2 VAL A 87 95.076 -3.457 -3.479 1.00 0.00 C ATOM 0 H VAL A 87 92.385 -2.091 -4.330 1.00 0.00 H new ATOM 0 HA VAL A 87 93.414 -2.237 -1.573 1.00 0.00 H new ATOM 0 HB VAL A 87 94.874 -1.435 -4.128 1.00 0.00 H new ATOM 0 HG11 VAL A 87 96.912 -1.602 -2.748 1.00 0.00 H new ATOM 0 HG12 VAL A 87 95.790 -0.366 -2.132 1.00 0.00 H new ATOM 0 HG13 VAL A 87 95.908 -1.945 -1.319 1.00 0.00 H new ATOM 0 HG21 VAL A 87 96.063 -3.588 -3.922 1.00 0.00 H new ATOM 0 HG22 VAL A 87 95.016 -4.027 -2.552 1.00 0.00 H new ATOM 0 HG23 VAL A 87 94.316 -3.814 -4.174 1.00 0.00 H new ATOM 1465 N THR A 88 93.419 0.224 -1.182 1.00 0.00 N ATOM 1466 CA THR A 88 93.345 1.645 -0.883 1.00 0.00 C ATOM 1467 C THR A 88 94.334 1.971 0.239 1.00 0.00 C ATOM 1468 O THR A 88 94.708 1.089 1.011 1.00 0.00 O ATOM 1469 CB THR A 88 91.908 2.048 -0.476 1.00 0.00 C ATOM 1470 OG1 THR A 88 90.995 1.668 -1.513 1.00 0.00 O ATOM 1471 CG2 THR A 88 91.790 3.547 -0.235 1.00 0.00 C ATOM 0 H THR A 88 93.647 -0.357 -0.375 1.00 0.00 H new ATOM 0 HA THR A 88 93.607 2.214 -1.775 1.00 0.00 H new ATOM 0 HB THR A 88 91.667 1.533 0.454 1.00 0.00 H new ATOM 0 HG1 THR A 88 90.277 1.120 -1.132 1.00 0.00 H new ATOM 0 HG21 THR A 88 90.766 3.790 0.049 1.00 0.00 H new ATOM 0 HG22 THR A 88 92.468 3.841 0.566 1.00 0.00 H new ATOM 0 HG23 THR A 88 92.051 4.084 -1.147 1.00 0.00 H new ATOM 1479 N ASP A 89 94.792 3.215 0.308 1.00 0.00 N ATOM 1480 CA ASP A 89 95.743 3.613 1.342 1.00 0.00 C ATOM 1481 C ASP A 89 95.094 3.555 2.723 1.00 0.00 C ATOM 1482 O ASP A 89 94.040 4.152 2.954 1.00 0.00 O ATOM 1483 CB ASP A 89 96.284 5.015 1.074 1.00 0.00 C ATOM 1484 CG ASP A 89 97.345 5.413 2.077 1.00 0.00 C ATOM 1485 OD1 ASP A 89 98.537 5.132 1.834 1.00 0.00 O ATOM 1486 OD2 ASP A 89 96.994 6.002 3.116 1.00 0.00 O ATOM 0 H ASP A 89 94.524 3.961 -0.334 1.00 0.00 H new ATOM 0 HA ASP A 89 96.577 2.911 1.318 1.00 0.00 H new ATOM 0 HB2 ASP A 89 96.702 5.056 0.068 1.00 0.00 H new ATOM 0 HB3 ASP A 89 95.465 5.733 1.109 1.00 0.00 H new ATOM 1491 N TYR A 90 95.734 2.833 3.635 1.00 0.00 N ATOM 1492 CA TYR A 90 95.178 2.592 4.962 1.00 0.00 C ATOM 1493 C TYR A 90 95.296 3.824 5.855 1.00 0.00 C ATOM 1494 O TYR A 90 94.497 4.009 6.769 1.00 0.00 O ATOM 1495 CB TYR A 90 95.878 1.393 5.611 1.00 0.00 C ATOM 1496 CG TYR A 90 95.325 1.003 6.963 1.00 0.00 C ATOM 1497 CD1 TYR A 90 94.086 0.386 7.080 1.00 0.00 C ATOM 1498 CD2 TYR A 90 96.046 1.250 8.124 1.00 0.00 C ATOM 1499 CE1 TYR A 90 93.583 0.026 8.314 1.00 0.00 C ATOM 1500 CE2 TYR A 90 95.551 0.891 9.361 1.00 0.00 C ATOM 1501 CZ TYR A 90 94.319 0.280 9.451 1.00 0.00 C ATOM 1502 OH TYR A 90 93.824 -0.083 10.681 1.00 0.00 O ATOM 0 H TYR A 90 96.645 2.401 3.479 1.00 0.00 H new ATOM 0 HA TYR A 90 94.117 2.372 4.847 1.00 0.00 H new ATOM 0 HB2 TYR A 90 95.802 0.537 4.940 1.00 0.00 H new ATOM 0 HB3 TYR A 90 96.938 1.621 5.718 1.00 0.00 H new ATOM 0 HD1 TYR A 90 93.507 0.185 6.191 1.00 0.00 H new ATOM 0 HD2 TYR A 90 97.011 1.731 8.058 1.00 0.00 H new ATOM 0 HE1 TYR A 90 92.618 -0.452 8.388 1.00 0.00 H new ATOM 0 HE2 TYR A 90 96.126 1.088 10.254 1.00 0.00 H new ATOM 0 HH TYR A 90 94.466 0.166 11.378 1.00 0.00 H new ATOM 1512 N SER A 91 96.275 4.672 5.581 1.00 0.00 N ATOM 1513 CA SER A 91 96.476 5.868 6.382 1.00 0.00 C ATOM 1514 C SER A 91 95.337 6.853 6.134 1.00 0.00 C ATOM 1515 O SER A 91 94.787 7.431 7.073 1.00 0.00 O ATOM 1516 CB SER A 91 97.831 6.505 6.060 1.00 0.00 C ATOM 1517 OG SER A 91 98.106 7.604 6.912 1.00 0.00 O ATOM 0 H SER A 91 96.939 4.555 4.815 1.00 0.00 H new ATOM 0 HA SER A 91 96.476 5.596 7.437 1.00 0.00 H new ATOM 0 HB2 SER A 91 98.618 5.758 6.163 1.00 0.00 H new ATOM 0 HB3 SER A 91 97.840 6.837 5.022 1.00 0.00 H new ATOM 0 HG SER A 91 98.978 7.987 6.681 1.00 0.00 H new ATOM 1523 N GLU A 92 94.969 7.018 4.867 1.00 0.00 N ATOM 1524 CA GLU A 92 93.843 7.871 4.503 1.00 0.00 C ATOM 1525 C GLU A 92 92.545 7.302 5.071 1.00 0.00 C ATOM 1526 O GLU A 92 91.681 8.040 5.546 1.00 0.00 O ATOM 1527 CB GLU A 92 93.724 7.999 2.982 1.00 0.00 C ATOM 1528 CG GLU A 92 94.991 8.484 2.298 1.00 0.00 C ATOM 1529 CD GLU A 92 95.527 9.767 2.895 1.00 0.00 C ATOM 1530 OE1 GLU A 92 94.874 10.822 2.755 1.00 0.00 O ATOM 1531 OE2 GLU A 92 96.614 9.735 3.505 1.00 0.00 O ATOM 0 H GLU A 92 95.434 6.573 4.076 1.00 0.00 H new ATOM 0 HA GLU A 92 94.020 8.861 4.924 1.00 0.00 H new ATOM 0 HB2 GLU A 92 93.449 7.029 2.567 1.00 0.00 H new ATOM 0 HB3 GLU A 92 92.912 8.688 2.749 1.00 0.00 H new ATOM 0 HG2 GLU A 92 95.755 7.710 2.368 1.00 0.00 H new ATOM 0 HG3 GLU A 92 94.790 8.639 1.238 1.00 0.00 H new ATOM 1538 N PHE A 93 92.426 5.980 5.028 1.00 0.00 N ATOM 1539 CA PHE A 93 91.255 5.294 5.558 1.00 0.00 C ATOM 1540 C PHE A 93 91.155 5.502 7.069 1.00 0.00 C ATOM 1541 O PHE A 93 90.073 5.754 7.604 1.00 0.00 O ATOM 1542 CB PHE A 93 91.329 3.801 5.219 1.00 0.00 C ATOM 1543 CG PHE A 93 90.097 3.023 5.587 1.00 0.00 C ATOM 1544 CD1 PHE A 93 88.897 3.252 4.931 1.00 0.00 C ATOM 1545 CD2 PHE A 93 90.140 2.059 6.579 1.00 0.00 C ATOM 1546 CE1 PHE A 93 87.765 2.533 5.262 1.00 0.00 C ATOM 1547 CE2 PHE A 93 89.010 1.337 6.914 1.00 0.00 C ATOM 1548 CZ PHE A 93 87.821 1.574 6.253 1.00 0.00 C ATOM 0 H PHE A 93 93.131 5.360 4.629 1.00 0.00 H new ATOM 0 HA PHE A 93 90.359 5.712 5.098 1.00 0.00 H new ATOM 0 HB2 PHE A 93 91.508 3.691 4.149 1.00 0.00 H new ATOM 0 HB3 PHE A 93 92.187 3.366 5.732 1.00 0.00 H new ATOM 0 HD1 PHE A 93 88.847 4.000 4.154 1.00 0.00 H new ATOM 0 HD2 PHE A 93 91.068 1.869 7.098 1.00 0.00 H new ATOM 0 HE1 PHE A 93 86.836 2.721 4.745 1.00 0.00 H new ATOM 0 HE2 PHE A 93 89.057 0.589 7.691 1.00 0.00 H new ATOM 0 HZ PHE A 93 86.937 1.010 6.511 1.00 0.00 H new ATOM 1558 N GLN A 94 92.297 5.408 7.747 1.00 0.00 N ATOM 1559 CA GLN A 94 92.369 5.650 9.185 1.00 0.00 C ATOM 1560 C GLN A 94 91.936 7.070 9.528 1.00 0.00 C ATOM 1561 O GLN A 94 91.272 7.292 10.542 1.00 0.00 O ATOM 1562 CB GLN A 94 93.787 5.392 9.700 1.00 0.00 C ATOM 1563 CG GLN A 94 94.004 3.976 10.210 1.00 0.00 C ATOM 1564 CD GLN A 94 93.211 3.680 11.471 1.00 0.00 C ATOM 1565 OE1 GLN A 94 92.941 4.574 12.276 1.00 0.00 O ATOM 1566 NE2 GLN A 94 92.850 2.424 11.668 1.00 0.00 N ATOM 0 H GLN A 94 93.190 5.164 7.319 1.00 0.00 H new ATOM 0 HA GLN A 94 91.683 4.959 9.675 1.00 0.00 H new ATOM 0 HB2 GLN A 94 94.497 5.593 8.898 1.00 0.00 H new ATOM 0 HB3 GLN A 94 94.006 6.096 10.503 1.00 0.00 H new ATOM 0 HG2 GLN A 94 93.721 3.267 9.432 1.00 0.00 H new ATOM 0 HG3 GLN A 94 95.065 3.824 10.409 1.00 0.00 H new ATOM 0 HE21 GLN A 94 93.091 1.710 10.980 1.00 0.00 H new ATOM 0 HE22 GLN A 94 92.331 2.168 12.508 1.00 0.00 H new ATOM 1575 N LYS A 95 92.304 8.028 8.679 1.00 0.00 N ATOM 1576 CA LYS A 95 91.883 9.414 8.860 1.00 0.00 C ATOM 1577 C LYS A 95 90.366 9.498 8.942 1.00 0.00 C ATOM 1578 O LYS A 95 89.818 10.100 9.859 1.00 0.00 O ATOM 1579 CB LYS A 95 92.366 10.294 7.707 1.00 0.00 C ATOM 1580 CG LYS A 95 93.874 10.414 7.594 1.00 0.00 C ATOM 1581 CD LYS A 95 94.258 11.241 6.380 1.00 0.00 C ATOM 1582 CE LYS A 95 95.762 11.328 6.211 1.00 0.00 C ATOM 1583 NZ LYS A 95 96.133 12.059 4.972 1.00 0.00 N ATOM 0 H LYS A 95 92.892 7.869 7.861 1.00 0.00 H new ATOM 0 HA LYS A 95 92.326 9.773 9.789 1.00 0.00 H new ATOM 0 HB2 LYS A 95 91.975 9.892 6.772 1.00 0.00 H new ATOM 0 HB3 LYS A 95 91.943 11.291 7.827 1.00 0.00 H new ATOM 0 HG2 LYS A 95 94.276 10.876 8.496 1.00 0.00 H new ATOM 0 HG3 LYS A 95 94.318 9.421 7.519 1.00 0.00 H new ATOM 0 HD2 LYS A 95 93.817 10.801 5.486 1.00 0.00 H new ATOM 0 HD3 LYS A 95 93.845 12.245 6.478 1.00 0.00 H new ATOM 0 HE2 LYS A 95 96.197 11.831 7.075 1.00 0.00 H new ATOM 0 HE3 LYS A 95 96.184 10.323 6.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 96.702 11.439 4.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 95.270 12.346 4.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 96.686 12.904 5.220 1.00 0.00 H new ATOM 1597 N ILE A 96 89.695 8.870 7.985 1.00 0.00 N ATOM 1598 CA ILE A 96 88.238 8.897 7.917 1.00 0.00 C ATOM 1599 C ILE A 96 87.619 8.209 9.133 1.00 0.00 C ATOM 1600 O ILE A 96 86.632 8.693 9.697 1.00 0.00 O ATOM 1601 CB ILE A 96 87.735 8.222 6.623 1.00 0.00 C ATOM 1602 CG1 ILE A 96 88.361 8.904 5.404 1.00 0.00 C ATOM 1603 CG2 ILE A 96 86.214 8.274 6.543 1.00 0.00 C ATOM 1604 CD1 ILE A 96 88.009 8.247 4.089 1.00 0.00 C ATOM 0 H ILE A 96 90.139 8.332 7.241 1.00 0.00 H new ATOM 0 HA ILE A 96 87.929 9.942 7.912 1.00 0.00 H new ATOM 0 HB ILE A 96 88.036 7.174 6.635 1.00 0.00 H new ATOM 0 HG12 ILE A 96 88.039 9.945 5.377 1.00 0.00 H new ATOM 0 HG13 ILE A 96 89.445 8.908 5.519 1.00 0.00 H new ATOM 0 HG21 ILE A 96 85.881 7.793 5.623 1.00 0.00 H new ATOM 0 HG22 ILE A 96 85.787 7.754 7.400 1.00 0.00 H new ATOM 0 HG23 ILE A 96 85.885 9.313 6.548 1.00 0.00 H new ATOM 0 HD11 ILE A 96 88.489 8.787 3.273 1.00 0.00 H new ATOM 0 HD12 ILE A 96 88.355 7.214 4.094 1.00 0.00 H new ATOM 0 HD13 ILE A 96 86.928 8.267 3.950 1.00 0.00 H new ATOM 1616 N LEU A 97 88.211 7.092 9.540 1.00 0.00 N ATOM 1617 CA LEU A 97 87.751 6.360 10.716 1.00 0.00 C ATOM 1618 C LEU A 97 87.799 7.245 11.954 1.00 0.00 C ATOM 1619 O LEU A 97 86.844 7.307 12.729 1.00 0.00 O ATOM 1620 CB LEU A 97 88.609 5.112 10.946 1.00 0.00 C ATOM 1621 CG LEU A 97 88.548 4.057 9.842 1.00 0.00 C ATOM 1622 CD1 LEU A 97 89.498 2.912 10.154 1.00 0.00 C ATOM 1623 CD2 LEU A 97 87.128 3.539 9.675 1.00 0.00 C ATOM 0 H LEU A 97 89.014 6.672 9.071 1.00 0.00 H new ATOM 0 HA LEU A 97 86.720 6.055 10.537 1.00 0.00 H new ATOM 0 HB2 LEU A 97 89.646 5.424 11.069 1.00 0.00 H new ATOM 0 HB3 LEU A 97 88.302 4.649 11.884 1.00 0.00 H new ATOM 0 HG LEU A 97 88.856 4.520 8.904 1.00 0.00 H new ATOM 0 HD11 LEU A 97 89.444 2.168 9.359 1.00 0.00 H new ATOM 0 HD12 LEU A 97 90.517 3.294 10.226 1.00 0.00 H new ATOM 0 HD13 LEU A 97 89.215 2.452 11.101 1.00 0.00 H new ATOM 0 HD21 LEU A 97 87.105 2.789 8.885 1.00 0.00 H new ATOM 0 HD22 LEU A 97 86.792 3.091 10.610 1.00 0.00 H new ATOM 0 HD23 LEU A 97 86.468 4.365 9.410 1.00 0.00 H new ATOM 1635 N LYS A 98 88.915 7.939 12.126 1.00 0.00 N ATOM 1636 CA LYS A 98 89.114 8.815 13.273 1.00 0.00 C ATOM 1637 C LYS A 98 88.285 10.090 13.140 1.00 0.00 C ATOM 1638 O LYS A 98 87.781 10.622 14.129 1.00 0.00 O ATOM 1639 CB LYS A 98 90.600 9.148 13.412 1.00 0.00 C ATOM 1640 CG LYS A 98 91.460 7.926 13.699 1.00 0.00 C ATOM 1641 CD LYS A 98 92.953 8.217 13.595 1.00 0.00 C ATOM 1642 CE LYS A 98 93.445 9.158 14.688 1.00 0.00 C ATOM 1643 NZ LYS A 98 93.145 10.584 14.391 1.00 0.00 N ATOM 0 H LYS A 98 89.703 7.912 11.480 1.00 0.00 H new ATOM 0 HA LYS A 98 88.779 8.297 14.172 1.00 0.00 H new ATOM 0 HB2 LYS A 98 90.948 9.622 12.494 1.00 0.00 H new ATOM 0 HB3 LYS A 98 90.730 9.874 14.215 1.00 0.00 H new ATOM 0 HG2 LYS A 98 91.235 7.556 14.699 1.00 0.00 H new ATOM 0 HG3 LYS A 98 91.200 7.132 12.999 1.00 0.00 H new ATOM 0 HD2 LYS A 98 93.507 7.280 13.651 1.00 0.00 H new ATOM 0 HD3 LYS A 98 93.167 8.655 12.620 1.00 0.00 H new ATOM 0 HE2 LYS A 98 92.982 8.883 15.635 1.00 0.00 H new ATOM 0 HE3 LYS A 98 94.521 9.035 14.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 94.008 11.152 14.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 92.806 10.671 13.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 92.411 10.928 15.043 1.00 0.00 H new ATOM 1657 N LYS A 99 88.134 10.559 11.909 1.00 0.00 N ATOM 1658 CA LYS A 99 87.362 11.761 11.622 1.00 0.00 C ATOM 1659 C LYS A 99 85.890 11.562 11.972 1.00 0.00 C ATOM 1660 O LYS A 99 85.269 12.420 12.595 1.00 0.00 O ATOM 1661 CB LYS A 99 87.516 12.137 10.144 1.00 0.00 C ATOM 1662 CG LYS A 99 86.751 13.382 9.730 1.00 0.00 C ATOM 1663 CD LYS A 99 87.111 13.811 8.317 1.00 0.00 C ATOM 1664 CE LYS A 99 86.262 14.982 7.855 1.00 0.00 C ATOM 1665 NZ LYS A 99 84.844 14.587 7.644 1.00 0.00 N ATOM 0 H LYS A 99 88.541 10.119 11.084 1.00 0.00 H new ATOM 0 HA LYS A 99 87.745 12.574 12.238 1.00 0.00 H new ATOM 0 HB2 LYS A 99 88.574 12.287 9.928 1.00 0.00 H new ATOM 0 HB3 LYS A 99 87.181 11.299 9.532 1.00 0.00 H new ATOM 0 HG2 LYS A 99 85.680 13.190 9.792 1.00 0.00 H new ATOM 0 HG3 LYS A 99 86.970 14.193 10.425 1.00 0.00 H new ATOM 0 HD2 LYS A 99 88.165 14.087 8.277 1.00 0.00 H new ATOM 0 HD3 LYS A 99 86.975 12.971 7.635 1.00 0.00 H new ATOM 0 HE2 LYS A 99 86.311 15.781 8.595 1.00 0.00 H new ATOM 0 HE3 LYS A 99 86.670 15.383 6.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 84.339 15.354 7.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 84.807 13.724 7.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 84.393 14.406 8.564 1.00 0.00 H new ATOM 1679 N ARG A 100 85.338 10.419 11.584 1.00 0.00 N ATOM 1680 CA ARG A 100 83.939 10.123 11.863 1.00 0.00 C ATOM 1681 C ARG A 100 83.769 9.523 13.257 1.00 0.00 C ATOM 1682 O ARG A 100 82.672 9.523 13.813 1.00 0.00 O ATOM 1683 CB ARG A 100 83.363 9.174 10.810 1.00 0.00 C ATOM 1684 CG ARG A 100 83.263 9.786 9.422 1.00 0.00 C ATOM 1685 CD ARG A 100 82.562 8.846 8.456 1.00 0.00 C ATOM 1686 NE ARG A 100 82.342 9.459 7.144 1.00 0.00 N ATOM 1687 CZ ARG A 100 81.154 9.499 6.537 1.00 0.00 C ATOM 1688 NH1 ARG A 100 80.082 9.003 7.139 1.00 0.00 N ATOM 1689 NH2 ARG A 100 81.038 10.048 5.336 1.00 0.00 N ATOM 0 H ARG A 100 85.835 9.686 11.078 1.00 0.00 H new ATOM 0 HA ARG A 100 83.390 11.064 11.825 1.00 0.00 H new ATOM 0 HB2 ARG A 100 83.986 8.281 10.759 1.00 0.00 H new ATOM 0 HB3 ARG A 100 82.371 8.853 11.128 1.00 0.00 H new ATOM 0 HG2 ARG A 100 82.718 10.729 9.476 1.00 0.00 H new ATOM 0 HG3 ARG A 100 84.262 10.015 9.050 1.00 0.00 H new ATOM 0 HD2 ARG A 100 83.158 7.941 8.336 1.00 0.00 H new ATOM 0 HD3 ARG A 100 81.604 8.543 8.878 1.00 0.00 H new ATOM 0 HE ARG A 100 83.141 9.878 6.668 1.00 0.00 H new ATOM 0 HH11 ARG A 100 80.164 8.590 8.068 1.00 0.00 H new ATOM 0 HH12 ARG A 100 79.175 9.035 6.673 1.00 0.00 H new ATOM 0 HH21 ARG A 100 81.858 10.441 4.874 1.00 0.00 H new ATOM 0 HH22 ARG A 100 80.129 10.077 4.874 1.00 0.00 H new ATOM 1703 N GLY A 101 84.857 9.017 13.818 1.00 0.00 N ATOM 1704 CA GLY A 101 84.800 8.405 15.131 1.00 0.00 C ATOM 1705 C GLY A 101 84.224 7.006 15.074 1.00 0.00 C ATOM 1706 O GLY A 101 83.539 6.564 15.998 1.00 0.00 O ATOM 0 H GLY A 101 85.781 9.019 13.387 1.00 0.00 H new ATOM 0 HA2 GLY A 101 85.802 8.369 15.559 1.00 0.00 H new ATOM 0 HA3 GLY A 101 84.193 9.022 15.794 1.00 0.00 H new