USER MOD reduce.3.24.130724 H: found=0, std=0, add=795, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 798 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 106 GLN : amide:sc= -0.416 K(o=0.46,f=-4.8) USER MOD Set 1.2: A 107 LYS NZ :NH3+ -119:sc= 0.88 (180deg=0) USER MOD Set 2.1: A 46 ASN : amide:sc= -3.51! C(o=-0.074!,f=-5.1!) USER MOD Set 2.2: A 50 LYS NZ :NH3+ 175:sc= 2.27 (180deg=1.08) USER MOD Set 2.3: A 112 SER OG : rot -100:sc= 1.16 USER MOD Single : A 18 ASN : amide:sc= -0.0148 X(o=-0.015,f=0.44) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.0537 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.0126 USER MOD Single : A 22 GLN : amide:sc= -0.287 K(o=-0.29,f=-0.92) USER MOD Single : A 25 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 29 LYS NZ :NH3+ -178:sc= 1.18 (180deg=1.13) USER MOD Single : A 33 HIS : no HE2:sc= -0.115 K(o=-0.095,f=-6.6!) USER MOD Single : A 35 THR OG1 : rot 79:sc= 0.442 USER MOD Single : A 36 HIS : no HE2:sc= 1.21 K(o=1.2,f=-4.6!) USER MOD Single : A 43 LYS NZ :NH3+ 162:sc= 1.09 (180deg=0.176) USER MOD Single : A 44 THR OG1 : rot 165:sc= 1.22 USER MOD Single : A 47 LYS NZ :NH3+ 165:sc= -0.023 (180deg=-0.226) USER MOD Single : A 58 THR OG1 : rot 72:sc= 1.01 USER MOD Single : A 60 SER OG : rot 66:sc= 1.29 USER MOD Single : A 67 SER OG : rot -87:sc= 1.11 USER MOD Single : A 70 TYR OH : rot 180:sc= 0.25 USER MOD Single : A 72 GLN : amide:sc= -0.579 K(o=-0.58,f=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 179:sc= 1.19 (180deg=1.18) USER MOD Single : A 87 ASN : amide:sc= 1.17 K(o=1.2,f=-1.8!) USER MOD Single : A 94 THR OG1 : rot 57:sc= 1.2 USER MOD Single : A 100 LYS NZ :NH3+ -171:sc= 1.25 (180deg=0.851) USER MOD Single : A 103 LYS NZ :NH3+ -154:sc= 1.15 (180deg=1.08) USER MOD Single : A 110 GLN : amide:sc=-0.00459 X(o=-0.0046,f=-0.0046) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 18 13.966 10.153 1.401 1.00 0.00 N ATOM 2 CA ASN A 18 12.551 9.763 1.367 1.00 0.00 C ATOM 3 C ASN A 18 12.116 9.377 -0.037 1.00 0.00 C ATOM 4 O ASN A 18 10.933 9.489 -0.389 1.00 0.00 O ATOM 5 CB ASN A 18 11.656 10.870 1.940 1.00 0.00 C ATOM 6 CG ASN A 18 11.772 10.977 3.442 1.00 0.00 C ATOM 7 OD1 ASN A 18 12.817 10.691 4.017 1.00 0.00 O ATOM 8 ND2 ASN A 18 10.706 11.373 4.091 1.00 0.00 N ATOM 0 HA ASN A 18 12.438 8.883 2.000 1.00 0.00 H new ATOM 0 HB2 ASN A 18 11.926 11.824 1.488 1.00 0.00 H new ATOM 0 HB3 ASN A 18 10.619 10.672 1.671 1.00 0.00 H new ATOM 0 HD21 ASN A 18 10.728 11.452 5.108 1.00 0.00 H new ATOM 0 HD22 ASN A 18 9.854 11.603 3.580 1.00 0.00 H new ATOM 17 N THR A 19 13.049 8.818 -0.803 1.00 0.00 N ATOM 18 CA THR A 19 12.816 8.420 -2.171 1.00 0.00 C ATOM 19 C THR A 19 11.732 7.336 -2.193 1.00 0.00 C ATOM 20 O THR A 19 10.725 7.437 -2.897 1.00 0.00 O ATOM 21 CB THR A 19 14.120 7.799 -2.717 1.00 0.00 C ATOM 22 OG1 THR A 19 15.251 8.535 -2.196 1.00 0.00 O ATOM 23 CG2 THR A 19 14.145 7.838 -4.239 1.00 0.00 C ATOM 0 H THR A 19 13.998 8.630 -0.478 1.00 0.00 H new ATOM 0 HA THR A 19 12.508 9.278 -2.768 1.00 0.00 H new ATOM 0 HB THR A 19 14.171 6.758 -2.399 1.00 0.00 H new ATOM 0 HG1 THR A 19 16.082 8.144 -2.538 1.00 0.00 H new ATOM 0 HG21 THR A 19 15.073 7.395 -4.599 1.00 0.00 H new ATOM 0 HG22 THR A 19 13.298 7.275 -4.631 1.00 0.00 H new ATOM 0 HG23 THR A 19 14.081 8.872 -4.578 1.00 0.00 H new ATOM 31 N ALA A 20 11.926 6.340 -1.360 1.00 0.00 N ATOM 32 CA ALA A 20 11.012 5.233 -1.260 1.00 0.00 C ATOM 33 C ALA A 20 9.674 5.654 -0.651 1.00 0.00 C ATOM 34 O ALA A 20 8.646 5.071 -0.946 1.00 0.00 O ATOM 35 CB ALA A 20 11.644 4.120 -0.480 1.00 0.00 C ATOM 0 H ALA A 20 12.727 6.277 -0.731 1.00 0.00 H new ATOM 0 HA ALA A 20 10.796 4.875 -2.267 1.00 0.00 H new ATOM 0 HB1 ALA A 20 10.947 3.285 -0.408 1.00 0.00 H new ATOM 0 HB2 ALA A 20 12.552 3.792 -0.985 1.00 0.00 H new ATOM 0 HB3 ALA A 20 11.893 4.473 0.521 1.00 0.00 H new ATOM 41 N THR A 21 9.706 6.682 0.174 1.00 0.00 N ATOM 42 CA THR A 21 8.521 7.215 0.815 1.00 0.00 C ATOM 43 C THR A 21 7.553 7.747 -0.243 1.00 0.00 C ATOM 44 O THR A 21 6.359 7.487 -0.189 1.00 0.00 O ATOM 45 CB THR A 21 8.932 8.365 1.711 1.00 0.00 C ATOM 46 OG1 THR A 21 10.077 7.959 2.491 1.00 0.00 O ATOM 47 CG2 THR A 21 7.795 8.796 2.635 1.00 0.00 C ATOM 0 H THR A 21 10.564 7.175 0.420 1.00 0.00 H new ATOM 0 HA THR A 21 8.035 6.428 1.392 1.00 0.00 H new ATOM 0 HB THR A 21 9.184 9.221 1.085 1.00 0.00 H new ATOM 0 HG1 THR A 21 10.354 8.696 3.074 1.00 0.00 H new ATOM 0 HG21 THR A 21 8.129 9.623 3.262 1.00 0.00 H new ATOM 0 HG22 THR A 21 6.942 9.116 2.037 1.00 0.00 H new ATOM 0 HG23 THR A 21 7.502 7.957 3.267 1.00 0.00 H new ATOM 55 N GLN A 22 8.094 8.463 -1.226 1.00 0.00 N ATOM 56 CA GLN A 22 7.292 9.009 -2.310 1.00 0.00 C ATOM 57 C GLN A 22 6.696 7.896 -3.138 1.00 0.00 C ATOM 58 O GLN A 22 5.553 7.983 -3.604 1.00 0.00 O ATOM 59 CB GLN A 22 8.103 9.965 -3.181 1.00 0.00 C ATOM 60 CG GLN A 22 8.612 11.171 -2.417 1.00 0.00 C ATOM 61 CD GLN A 22 7.487 11.953 -1.750 1.00 0.00 C ATOM 62 OE1 GLN A 22 6.358 12.006 -2.241 1.00 0.00 O ATOM 63 NE2 GLN A 22 7.773 12.527 -0.622 1.00 0.00 N ATOM 0 H GLN A 22 9.089 8.677 -1.291 1.00 0.00 H new ATOM 0 HA GLN A 22 6.478 9.584 -1.868 1.00 0.00 H new ATOM 0 HB2 GLN A 22 8.950 9.429 -3.609 1.00 0.00 H new ATOM 0 HB3 GLN A 22 7.486 10.303 -4.013 1.00 0.00 H new ATOM 0 HG2 GLN A 22 9.323 10.844 -1.658 1.00 0.00 H new ATOM 0 HG3 GLN A 22 9.153 11.828 -3.098 1.00 0.00 H new ATOM 0 HE21 GLN A 22 8.718 12.464 -0.243 1.00 0.00 H new ATOM 0 HE22 GLN A 22 7.053 13.041 -0.114 1.00 0.00 H new ATOM 72 N ARG A 23 7.460 6.840 -3.290 1.00 0.00 N ATOM 73 CA ARG A 23 7.033 5.675 -4.040 1.00 0.00 C ATOM 74 C ARG A 23 5.932 4.922 -3.266 1.00 0.00 C ATOM 75 O ARG A 23 5.058 4.308 -3.860 1.00 0.00 O ATOM 76 CB ARG A 23 8.248 4.772 -4.351 1.00 0.00 C ATOM 77 CG ARG A 23 9.378 5.536 -5.047 1.00 0.00 C ATOM 78 CD ARG A 23 10.606 4.682 -5.350 1.00 0.00 C ATOM 79 NE ARG A 23 10.401 3.688 -6.424 1.00 0.00 N ATOM 80 CZ ARG A 23 11.411 3.114 -7.127 1.00 0.00 C ATOM 81 NH1 ARG A 23 12.679 3.457 -6.874 1.00 0.00 N ATOM 82 NH2 ARG A 23 11.148 2.237 -8.096 1.00 0.00 N ATOM 0 H ARG A 23 8.398 6.761 -2.897 1.00 0.00 H new ATOM 0 HA ARG A 23 6.606 5.988 -4.993 1.00 0.00 H new ATOM 0 HB2 ARG A 23 8.623 4.339 -3.423 1.00 0.00 H new ATOM 0 HB3 ARG A 23 7.929 3.943 -4.984 1.00 0.00 H new ATOM 0 HG2 ARG A 23 9.000 5.955 -5.979 1.00 0.00 H new ATOM 0 HG3 ARG A 23 9.677 6.375 -4.419 1.00 0.00 H new ATOM 0 HD2 ARG A 23 11.431 5.337 -5.629 1.00 0.00 H new ATOM 0 HD3 ARG A 23 10.906 4.161 -4.441 1.00 0.00 H new ATOM 0 HE ARG A 23 9.444 3.417 -6.651 1.00 0.00 H new ATOM 0 HH11 ARG A 23 12.886 4.149 -6.154 1.00 0.00 H new ATOM 0 HH12 ARG A 23 13.439 3.027 -7.401 1.00 0.00 H new ATOM 0 HH21 ARG A 23 10.182 1.993 -8.314 1.00 0.00 H new ATOM 0 HH22 ARG A 23 11.913 1.811 -8.619 1.00 0.00 H new ATOM 96 N PHE A 24 5.945 5.031 -1.933 1.00 0.00 N ATOM 97 CA PHE A 24 4.916 4.390 -1.108 1.00 0.00 C ATOM 98 C PHE A 24 3.743 5.320 -0.886 1.00 0.00 C ATOM 99 O PHE A 24 2.662 4.903 -0.465 1.00 0.00 O ATOM 100 CB PHE A 24 5.482 3.842 0.224 1.00 0.00 C ATOM 101 CG PHE A 24 6.165 2.499 0.081 1.00 0.00 C ATOM 102 CD1 PHE A 24 6.667 2.095 -1.142 1.00 0.00 C ATOM 103 CD2 PHE A 24 6.284 1.627 1.162 1.00 0.00 C ATOM 104 CE1 PHE A 24 7.264 0.878 -1.296 1.00 0.00 C ATOM 105 CE2 PHE A 24 6.893 0.400 0.998 1.00 0.00 C ATOM 106 CZ PHE A 24 7.379 0.026 -0.226 1.00 0.00 C ATOM 0 H PHE A 24 6.648 5.551 -1.408 1.00 0.00 H new ATOM 0 HA PHE A 24 4.553 3.523 -1.661 1.00 0.00 H new ATOM 0 HB2 PHE A 24 6.193 4.561 0.631 1.00 0.00 H new ATOM 0 HB3 PHE A 24 4.670 3.753 0.946 1.00 0.00 H new ATOM 0 HD1 PHE A 24 6.585 2.756 -1.992 1.00 0.00 H new ATOM 0 HD2 PHE A 24 5.899 1.912 2.130 1.00 0.00 H new ATOM 0 HE1 PHE A 24 7.647 0.584 -2.262 1.00 0.00 H new ATOM 0 HE2 PHE A 24 6.987 -0.269 1.840 1.00 0.00 H new ATOM 0 HZ PHE A 24 7.852 -0.937 -0.349 1.00 0.00 H new ATOM 116 N HIS A 25 3.937 6.579 -1.245 1.00 0.00 N ATOM 117 CA HIS A 25 2.894 7.584 -1.143 1.00 0.00 C ATOM 118 C HIS A 25 1.832 7.303 -2.212 1.00 0.00 C ATOM 119 O HIS A 25 0.711 7.802 -2.144 1.00 0.00 O ATOM 120 CB HIS A 25 3.489 9.003 -1.284 1.00 0.00 C ATOM 121 CG HIS A 25 2.546 10.120 -0.925 1.00 0.00 C ATOM 122 ND1 HIS A 25 2.197 11.126 -1.791 1.00 0.00 N ATOM 123 CD2 HIS A 25 1.914 10.402 0.242 1.00 0.00 C ATOM 124 CE1 HIS A 25 1.399 11.973 -1.181 1.00 0.00 C ATOM 125 NE2 HIS A 25 1.212 11.553 0.052 1.00 0.00 N ATOM 0 H HIS A 25 4.820 6.931 -1.614 1.00 0.00 H new ATOM 0 HA HIS A 25 2.424 7.535 -0.161 1.00 0.00 H new ATOM 0 HB2 HIS A 25 4.374 9.076 -0.651 1.00 0.00 H new ATOM 0 HB3 HIS A 25 3.820 9.142 -2.313 1.00 0.00 H new ATOM 0 HD2 HIS A 25 1.959 9.822 1.152 1.00 0.00 H new ATOM 0 HE1 HIS A 25 0.970 12.863 -1.617 1.00 0.00 H new ATOM 0 HE2 HIS A 25 0.634 12.016 0.753 1.00 0.00 H new ATOM 134 N GLU A 26 2.209 6.473 -3.185 1.00 0.00 N ATOM 135 CA GLU A 26 1.295 5.979 -4.198 1.00 0.00 C ATOM 136 C GLU A 26 0.220 5.139 -3.538 1.00 0.00 C ATOM 137 O GLU A 26 -0.955 5.278 -3.826 1.00 0.00 O ATOM 138 CB GLU A 26 2.042 5.117 -5.219 1.00 0.00 C ATOM 139 CG GLU A 26 3.032 5.875 -6.075 1.00 0.00 C ATOM 140 CD GLU A 26 2.356 6.927 -6.896 1.00 0.00 C ATOM 141 OE1 GLU A 26 1.546 6.580 -7.786 1.00 0.00 O ATOM 142 OE2 GLU A 26 2.572 8.113 -6.646 1.00 0.00 O ATOM 0 H GLU A 26 3.163 6.127 -3.287 1.00 0.00 H new ATOM 0 HA GLU A 26 0.847 6.831 -4.710 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.571 4.325 -4.689 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.313 4.634 -5.870 1.00 0.00 H new ATOM 0 HG2 GLU A 26 3.786 6.338 -5.438 1.00 0.00 H new ATOM 0 HG3 GLU A 26 3.554 5.179 -6.732 1.00 0.00 H new ATOM 149 N ILE A 27 0.641 4.316 -2.609 1.00 0.00 N ATOM 150 CA ILE A 27 -0.251 3.419 -1.907 1.00 0.00 C ATOM 151 C ILE A 27 -1.080 4.214 -0.913 1.00 0.00 C ATOM 152 O ILE A 27 -2.250 3.925 -0.683 1.00 0.00 O ATOM 153 CB ILE A 27 0.529 2.286 -1.191 1.00 0.00 C ATOM 154 CG1 ILE A 27 1.499 1.605 -2.177 1.00 0.00 C ATOM 155 CG2 ILE A 27 -0.434 1.255 -0.596 1.00 0.00 C ATOM 156 CD1 ILE A 27 0.838 1.062 -3.430 1.00 0.00 C ATOM 0 H ILE A 27 1.615 4.247 -2.316 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.911 2.944 -2.633 1.00 0.00 H new ATOM 0 HB ILE A 27 1.104 2.726 -0.376 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.266 2.323 -2.467 1.00 0.00 H new ATOM 0 HG13 ILE A 27 2.005 0.787 -1.664 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.135 0.470 -0.099 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -1.088 1.743 0.127 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -1.036 0.818 -1.392 1.00 0.00 H new ATOM 0 HD11 ILE A 27 1.592 0.600 -4.068 1.00 0.00 H new ATOM 0 HD12 ILE A 27 0.091 0.318 -3.154 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.356 1.877 -3.970 1.00 0.00 H new ATOM 168 N GLU A 28 -0.459 5.239 -0.362 1.00 0.00 N ATOM 169 CA GLU A 28 -1.100 6.136 0.583 1.00 0.00 C ATOM 170 C GLU A 28 -2.330 6.791 -0.088 1.00 0.00 C ATOM 171 O GLU A 28 -3.433 6.849 0.498 1.00 0.00 O ATOM 172 CB GLU A 28 -0.083 7.203 1.017 1.00 0.00 C ATOM 173 CG GLU A 28 -0.505 8.058 2.192 1.00 0.00 C ATOM 174 CD GLU A 28 -0.577 7.272 3.477 1.00 0.00 C ATOM 175 OE1 GLU A 28 0.470 7.129 4.148 1.00 0.00 O ATOM 176 OE2 GLU A 28 -1.667 6.782 3.840 1.00 0.00 O ATOM 0 H GLU A 28 0.513 5.476 -0.559 1.00 0.00 H new ATOM 0 HA GLU A 28 -1.438 5.588 1.462 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.855 6.707 1.268 1.00 0.00 H new ATOM 0 HB3 GLU A 28 0.119 7.856 0.168 1.00 0.00 H new ATOM 0 HG2 GLU A 28 0.200 8.881 2.311 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -1.479 8.501 1.985 1.00 0.00 H new ATOM 183 N LYS A 29 -2.145 7.257 -1.320 1.00 0.00 N ATOM 184 CA LYS A 29 -3.252 7.819 -2.078 1.00 0.00 C ATOM 185 C LYS A 29 -4.308 6.773 -2.440 1.00 0.00 C ATOM 186 O LYS A 29 -5.498 7.085 -2.468 1.00 0.00 O ATOM 187 CB LYS A 29 -2.849 8.729 -3.258 1.00 0.00 C ATOM 188 CG LYS A 29 -1.892 8.144 -4.268 1.00 0.00 C ATOM 189 CD LYS A 29 -1.685 9.113 -5.420 1.00 0.00 C ATOM 190 CE LYS A 29 -0.608 8.647 -6.379 1.00 0.00 C ATOM 191 NZ LYS A 29 -0.932 7.354 -7.023 1.00 0.00 N ATOM 0 H LYS A 29 -1.249 7.256 -1.808 1.00 0.00 H new ATOM 0 HA LYS A 29 -3.730 8.512 -1.386 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -3.756 9.028 -3.782 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -2.402 9.636 -2.851 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -0.937 7.926 -3.791 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -2.283 7.199 -4.645 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -2.623 9.235 -5.962 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -1.416 10.092 -5.024 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -0.462 9.404 -7.149 1.00 0.00 H new ATOM 0 HE3 LYS A 29 0.335 8.553 -5.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -0.146 7.068 -7.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -1.079 6.629 -6.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -1.799 7.455 -7.589 1.00 0.00 H new ATOM 205 N PHE A 30 -3.878 5.539 -2.725 1.00 0.00 N ATOM 206 CA PHE A 30 -4.824 4.430 -2.941 1.00 0.00 C ATOM 207 C PHE A 30 -5.702 4.232 -1.722 1.00 0.00 C ATOM 208 O PHE A 30 -6.910 4.123 -1.836 1.00 0.00 O ATOM 209 CB PHE A 30 -4.114 3.101 -3.235 1.00 0.00 C ATOM 210 CG PHE A 30 -3.813 2.830 -4.682 1.00 0.00 C ATOM 211 CD1 PHE A 30 -4.743 2.173 -5.471 1.00 0.00 C ATOM 212 CD2 PHE A 30 -2.615 3.210 -5.248 1.00 0.00 C ATOM 213 CE1 PHE A 30 -4.478 1.904 -6.799 1.00 0.00 C ATOM 214 CE2 PHE A 30 -2.340 2.945 -6.575 1.00 0.00 C ATOM 215 CZ PHE A 30 -3.275 2.291 -7.353 1.00 0.00 C ATOM 0 H PHE A 30 -2.895 5.281 -2.811 1.00 0.00 H new ATOM 0 HA PHE A 30 -5.423 4.708 -3.808 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -3.177 3.079 -2.678 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -4.731 2.288 -2.853 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -5.686 1.868 -5.042 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -1.880 3.723 -4.645 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -5.211 1.391 -7.404 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -1.396 3.248 -7.003 1.00 0.00 H new ATOM 0 HZ PHE A 30 -3.065 2.083 -8.392 1.00 0.00 H new ATOM 225 N LEU A 31 -5.084 4.244 -0.558 1.00 0.00 N ATOM 226 CA LEU A 31 -5.771 4.022 0.702 1.00 0.00 C ATOM 227 C LEU A 31 -6.873 5.084 0.907 1.00 0.00 C ATOM 228 O LEU A 31 -8.021 4.757 1.270 1.00 0.00 O ATOM 229 CB LEU A 31 -4.720 4.017 1.842 1.00 0.00 C ATOM 230 CG LEU A 31 -5.135 3.485 3.230 1.00 0.00 C ATOM 231 CD1 LEU A 31 -3.896 3.261 4.068 1.00 0.00 C ATOM 232 CD2 LEU A 31 -6.059 4.449 3.961 1.00 0.00 C ATOM 0 H LEU A 31 -4.083 4.409 -0.457 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.275 3.056 0.702 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.868 3.428 1.503 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.368 5.040 1.972 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.676 2.551 3.078 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.184 2.885 5.050 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.251 2.534 3.576 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.359 4.203 4.183 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -6.324 4.032 4.933 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.551 5.403 4.102 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.964 4.603 3.373 1.00 0.00 H new ATOM 244 N LEU A 32 -6.549 6.341 0.636 1.00 0.00 N ATOM 245 CA LEU A 32 -7.542 7.401 0.768 1.00 0.00 C ATOM 246 C LEU A 32 -8.614 7.274 -0.323 1.00 0.00 C ATOM 247 O LEU A 32 -9.798 7.512 -0.078 1.00 0.00 O ATOM 248 CB LEU A 32 -6.894 8.813 0.842 1.00 0.00 C ATOM 249 CG LEU A 32 -6.124 9.338 -0.385 1.00 0.00 C ATOM 250 CD1 LEU A 32 -7.050 9.943 -1.429 1.00 0.00 C ATOM 251 CD2 LEU A 32 -5.054 10.323 0.023 1.00 0.00 C ATOM 0 H LEU A 32 -5.626 6.649 0.329 1.00 0.00 H new ATOM 0 HA LEU A 32 -8.049 7.276 1.725 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -7.685 9.528 1.067 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -6.209 8.818 1.690 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.639 8.478 -0.846 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.462 10.299 -2.275 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -7.756 9.186 -1.771 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -7.597 10.778 -0.990 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -4.527 10.676 -0.864 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.514 11.169 0.533 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.347 9.835 0.694 1.00 0.00 H new ATOM 263 N HIS A 33 -8.179 6.838 -1.510 1.00 0.00 N ATOM 264 CA HIS A 33 -9.061 6.607 -2.656 1.00 0.00 C ATOM 265 C HIS A 33 -10.117 5.571 -2.292 1.00 0.00 C ATOM 266 O HIS A 33 -11.293 5.725 -2.626 1.00 0.00 O ATOM 267 CB HIS A 33 -8.232 6.113 -3.877 1.00 0.00 C ATOM 268 CG HIS A 33 -9.048 5.760 -5.083 1.00 0.00 C ATOM 269 ND1 HIS A 33 -9.187 4.474 -5.570 1.00 0.00 N ATOM 270 CD2 HIS A 33 -9.791 6.534 -5.883 1.00 0.00 C ATOM 271 CE1 HIS A 33 -9.986 4.499 -6.604 1.00 0.00 C ATOM 272 NE2 HIS A 33 -10.375 5.734 -6.815 1.00 0.00 N ATOM 0 H HIS A 33 -7.198 6.635 -1.702 1.00 0.00 H new ATOM 0 HA HIS A 33 -9.553 7.543 -2.920 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -7.518 6.889 -4.152 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -7.654 5.239 -3.577 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -8.739 3.642 -5.186 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -9.906 7.605 -5.803 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -10.279 3.641 -7.191 1.00 0.00 H new ATOM 281 N ILE A 34 -9.684 4.547 -1.601 1.00 0.00 N ATOM 282 CA ILE A 34 -10.546 3.485 -1.173 1.00 0.00 C ATOM 283 C ILE A 34 -11.567 3.980 -0.168 1.00 0.00 C ATOM 284 O ILE A 34 -12.744 3.755 -0.349 1.00 0.00 O ATOM 285 CB ILE A 34 -9.710 2.315 -0.606 1.00 0.00 C ATOM 286 CG1 ILE A 34 -8.853 1.726 -1.731 1.00 0.00 C ATOM 287 CG2 ILE A 34 -10.584 1.239 0.051 1.00 0.00 C ATOM 288 CD1 ILE A 34 -7.941 0.631 -1.292 1.00 0.00 C ATOM 0 H ILE A 34 -8.711 4.430 -1.319 1.00 0.00 H new ATOM 0 HA ILE A 34 -11.100 3.118 -2.037 1.00 0.00 H new ATOM 0 HB ILE A 34 -9.064 2.701 0.183 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -9.510 1.345 -2.513 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -8.258 2.524 -2.176 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -9.950 0.439 0.434 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -11.148 1.680 0.873 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -11.276 0.832 -0.686 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -7.370 0.269 -2.147 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -7.257 1.010 -0.533 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -8.529 -0.187 -0.875 1.00 0.00 H new ATOM 300 N THR A 35 -11.124 4.735 0.815 1.00 0.00 N ATOM 301 CA THR A 35 -12.014 5.255 1.846 1.00 0.00 C ATOM 302 C THR A 35 -13.095 6.170 1.221 1.00 0.00 C ATOM 303 O THR A 35 -14.288 6.090 1.570 1.00 0.00 O ATOM 304 CB THR A 35 -11.205 6.028 2.892 1.00 0.00 C ATOM 305 OG1 THR A 35 -10.107 5.204 3.345 1.00 0.00 O ATOM 306 CG2 THR A 35 -12.072 6.404 4.092 1.00 0.00 C ATOM 0 H THR A 35 -10.147 5.007 0.927 1.00 0.00 H new ATOM 0 HA THR A 35 -12.513 4.417 2.332 1.00 0.00 H new ATOM 0 HB THR A 35 -10.833 6.944 2.432 1.00 0.00 H new ATOM 0 HG1 THR A 35 -9.387 5.224 2.680 1.00 0.00 H new ATOM 0 HG21 THR A 35 -11.471 6.952 4.818 1.00 0.00 H new ATOM 0 HG22 THR A 35 -12.900 7.030 3.760 1.00 0.00 H new ATOM 0 HG23 THR A 35 -12.464 5.499 4.555 1.00 0.00 H new ATOM 314 N HIS A 36 -12.675 6.987 0.264 1.00 0.00 N ATOM 315 CA HIS A 36 -13.584 7.874 -0.458 1.00 0.00 C ATOM 316 C HIS A 36 -14.620 7.053 -1.204 1.00 0.00 C ATOM 317 O HIS A 36 -15.819 7.338 -1.149 1.00 0.00 O ATOM 318 CB HIS A 36 -12.797 8.750 -1.446 1.00 0.00 C ATOM 319 CG HIS A 36 -13.639 9.710 -2.233 1.00 0.00 C ATOM 320 ND1 HIS A 36 -14.163 9.419 -3.475 1.00 0.00 N ATOM 321 CD2 HIS A 36 -14.029 10.965 -1.951 1.00 0.00 C ATOM 322 CE1 HIS A 36 -14.831 10.458 -3.911 1.00 0.00 C ATOM 323 NE2 HIS A 36 -14.767 11.411 -3.007 1.00 0.00 N ATOM 0 H HIS A 36 -11.702 7.055 -0.034 1.00 0.00 H new ATOM 0 HA HIS A 36 -14.090 8.521 0.259 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -12.046 9.314 -0.893 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -12.262 8.102 -2.140 1.00 0.00 H new ATOM 0 HD1 HIS A 36 -14.049 8.537 -3.974 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -13.800 11.519 -1.052 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -15.349 10.522 -4.857 1.00 0.00 H new ATOM 332 N GLU A 37 -14.150 6.037 -1.881 1.00 0.00 N ATOM 333 CA GLU A 37 -15.010 5.170 -2.615 1.00 0.00 C ATOM 334 C GLU A 37 -15.935 4.383 -1.725 1.00 0.00 C ATOM 335 O GLU A 37 -17.030 4.092 -2.120 1.00 0.00 O ATOM 336 CB GLU A 37 -14.262 4.284 -3.582 1.00 0.00 C ATOM 337 CG GLU A 37 -14.461 4.702 -5.022 1.00 0.00 C ATOM 338 CD GLU A 37 -13.804 6.024 -5.417 1.00 0.00 C ATOM 339 OE1 GLU A 37 -14.167 7.111 -4.887 1.00 0.00 O ATOM 340 OE2 GLU A 37 -12.911 6.001 -6.287 1.00 0.00 O ATOM 0 H GLU A 37 -13.161 5.795 -1.934 1.00 0.00 H new ATOM 0 HA GLU A 37 -15.640 5.821 -3.221 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -13.199 4.308 -3.344 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -14.594 3.253 -3.457 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -14.072 3.915 -5.668 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -15.531 4.775 -5.217 1.00 0.00 H new ATOM 347 N VAL A 38 -15.488 4.051 -0.519 1.00 0.00 N ATOM 348 CA VAL A 38 -16.312 3.362 0.455 1.00 0.00 C ATOM 349 C VAL A 38 -17.519 4.199 0.739 1.00 0.00 C ATOM 350 O VAL A 38 -18.639 3.700 0.744 1.00 0.00 O ATOM 351 CB VAL A 38 -15.577 3.054 1.812 1.00 0.00 C ATOM 352 CG1 VAL A 38 -16.524 2.378 2.800 1.00 0.00 C ATOM 353 CG2 VAL A 38 -14.383 2.153 1.609 1.00 0.00 C ATOM 0 H VAL A 38 -14.543 4.254 -0.193 1.00 0.00 H new ATOM 0 HA VAL A 38 -16.574 2.398 0.018 1.00 0.00 H new ATOM 0 HB VAL A 38 -15.241 4.012 2.209 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -15.994 2.175 3.731 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -17.370 3.035 3.000 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -16.885 1.441 2.375 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -13.903 1.964 2.569 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -14.710 1.208 1.174 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -13.673 2.635 0.937 1.00 0.00 H new ATOM 363 N ASP A 39 -17.313 5.482 0.929 1.00 0.00 N ATOM 364 CA ASP A 39 -18.445 6.326 1.201 1.00 0.00 C ATOM 365 C ASP A 39 -19.338 6.428 -0.025 1.00 0.00 C ATOM 366 O ASP A 39 -20.582 6.257 0.056 1.00 0.00 O ATOM 367 CB ASP A 39 -18.061 7.712 1.700 1.00 0.00 C ATOM 368 CG ASP A 39 -19.289 8.549 2.018 1.00 0.00 C ATOM 369 OD1 ASP A 39 -19.789 8.482 3.151 1.00 0.00 O ATOM 370 OD2 ASP A 39 -19.789 9.290 1.137 1.00 0.00 O ATOM 0 H ASP A 39 -16.406 5.948 0.901 1.00 0.00 H new ATOM 0 HA ASP A 39 -18.995 5.851 2.013 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -17.441 7.620 2.592 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -17.460 8.218 0.945 1.00 0.00 H new ATOM 375 N ASP A 40 -18.697 6.610 -1.171 1.00 0.00 N ATOM 376 CA ASP A 40 -19.390 6.776 -2.408 1.00 0.00 C ATOM 377 C ASP A 40 -20.230 5.574 -2.707 1.00 0.00 C ATOM 378 O ASP A 40 -21.387 5.717 -2.975 1.00 0.00 O ATOM 379 CB ASP A 40 -18.438 7.059 -3.574 1.00 0.00 C ATOM 380 CG ASP A 40 -19.199 7.343 -4.859 1.00 0.00 C ATOM 381 OD1 ASP A 40 -19.562 6.404 -5.579 1.00 0.00 O ATOM 382 OD2 ASP A 40 -19.467 8.518 -5.156 1.00 0.00 O ATOM 0 H ASP A 40 -17.681 6.644 -1.253 1.00 0.00 H new ATOM 0 HA ASP A 40 -20.037 7.646 -2.296 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -17.805 7.912 -3.329 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -17.778 6.204 -3.722 1.00 0.00 H new ATOM 387 N LEU A 41 -19.676 4.386 -2.534 1.00 0.00 N ATOM 388 CA LEU A 41 -20.369 3.169 -2.862 1.00 0.00 C ATOM 389 C LEU A 41 -21.554 2.982 -1.970 1.00 0.00 C ATOM 390 O LEU A 41 -22.586 2.546 -2.417 1.00 0.00 O ATOM 391 CB LEU A 41 -19.428 1.936 -2.897 1.00 0.00 C ATOM 392 CG LEU A 41 -18.650 1.572 -1.622 1.00 0.00 C ATOM 393 CD1 LEU A 41 -19.494 0.815 -0.602 1.00 0.00 C ATOM 394 CD2 LEU A 41 -17.398 0.811 -1.974 1.00 0.00 C ATOM 0 H LEU A 41 -18.736 4.247 -2.163 1.00 0.00 H new ATOM 0 HA LEU A 41 -20.745 3.263 -3.881 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -20.027 1.070 -3.179 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -18.702 2.095 -3.694 1.00 0.00 H new ATOM 0 HG LEU A 41 -18.370 2.508 -1.139 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -18.888 0.587 0.275 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -20.344 1.429 -0.306 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -19.854 -0.113 -1.045 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -16.857 0.560 -1.062 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -17.665 -0.105 -2.502 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -16.765 1.427 -2.613 1.00 0.00 H new ATOM 406 N GLU A 42 -21.424 3.388 -0.719 1.00 0.00 N ATOM 407 CA GLU A 42 -22.524 3.298 0.214 1.00 0.00 C ATOM 408 C GLU A 42 -23.695 4.185 -0.247 1.00 0.00 C ATOM 409 O GLU A 42 -24.856 3.877 0.005 1.00 0.00 O ATOM 410 CB GLU A 42 -22.088 3.688 1.629 1.00 0.00 C ATOM 411 CG GLU A 42 -21.075 2.749 2.278 1.00 0.00 C ATOM 412 CD GLU A 42 -21.650 1.415 2.712 1.00 0.00 C ATOM 413 OE1 GLU A 42 -22.173 1.339 3.839 1.00 0.00 O ATOM 414 OE2 GLU A 42 -21.557 0.419 1.966 1.00 0.00 O ATOM 0 H GLU A 42 -20.567 3.782 -0.330 1.00 0.00 H new ATOM 0 HA GLU A 42 -22.856 2.260 0.238 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -21.662 4.691 1.597 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -22.973 3.737 2.264 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -20.261 2.569 1.575 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -20.642 3.245 3.147 1.00 0.00 H new ATOM 421 N LYS A 43 -23.376 5.268 -0.964 1.00 0.00 N ATOM 422 CA LYS A 43 -24.405 6.212 -1.437 1.00 0.00 C ATOM 423 C LYS A 43 -24.868 5.826 -2.825 1.00 0.00 C ATOM 424 O LYS A 43 -25.997 6.093 -3.240 1.00 0.00 O ATOM 425 CB LYS A 43 -23.830 7.629 -1.513 1.00 0.00 C ATOM 426 CG LYS A 43 -23.042 8.037 -0.300 1.00 0.00 C ATOM 427 CD LYS A 43 -23.843 7.860 0.953 1.00 0.00 C ATOM 428 CE LYS A 43 -23.008 8.172 2.183 1.00 0.00 C ATOM 429 NZ LYS A 43 -22.364 9.506 2.103 1.00 0.00 N ATOM 0 H LYS A 43 -22.423 5.515 -1.230 1.00 0.00 H new ATOM 0 HA LYS A 43 -25.239 6.179 -0.735 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -23.189 7.703 -2.391 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -24.648 8.335 -1.656 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -22.131 7.442 -0.239 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -22.737 9.079 -0.395 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -24.715 8.513 0.926 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -24.213 6.836 1.011 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -23.641 8.129 3.069 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -22.241 7.407 2.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -22.067 9.806 3.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -21.532 9.453 1.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -23.041 10.196 1.718 1.00 0.00 H new ATOM 443 N THR A 44 -23.970 5.236 -3.521 1.00 0.00 N ATOM 444 CA THR A 44 -24.109 4.828 -4.876 1.00 0.00 C ATOM 445 C THR A 44 -24.749 3.413 -4.978 1.00 0.00 C ATOM 446 O THR A 44 -24.978 2.888 -6.062 1.00 0.00 O ATOM 447 CB THR A 44 -22.693 4.935 -5.502 1.00 0.00 C ATOM 448 OG1 THR A 44 -22.278 6.309 -5.499 1.00 0.00 O ATOM 449 CG2 THR A 44 -22.580 4.421 -6.878 1.00 0.00 C ATOM 0 H THR A 44 -23.053 5.008 -3.136 1.00 0.00 H new ATOM 0 HA THR A 44 -24.798 5.464 -5.432 1.00 0.00 H new ATOM 0 HB THR A 44 -22.054 4.304 -4.884 1.00 0.00 H new ATOM 0 HG1 THR A 44 -21.314 6.360 -5.670 1.00 0.00 H new ATOM 0 HG21 THR A 44 -21.554 4.539 -7.228 1.00 0.00 H new ATOM 0 HG22 THR A 44 -22.850 3.365 -6.895 1.00 0.00 H new ATOM 0 HG23 THR A 44 -23.252 4.978 -7.531 1.00 0.00 H new ATOM 457 N GLY A 45 -25.049 2.811 -3.851 1.00 0.00 N ATOM 458 CA GLY A 45 -25.767 1.550 -3.906 1.00 0.00 C ATOM 459 C GLY A 45 -25.030 0.382 -3.315 1.00 0.00 C ATOM 460 O GLY A 45 -25.663 -0.478 -2.686 1.00 0.00 O ATOM 0 H GLY A 45 -24.820 3.153 -2.917 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -26.717 1.665 -3.383 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -26.001 1.326 -4.947 1.00 0.00 H new ATOM 464 N ASN A 46 -23.711 0.318 -3.544 1.00 0.00 N ATOM 465 CA ASN A 46 -22.847 -0.748 -2.988 1.00 0.00 C ATOM 466 C ASN A 46 -23.206 -2.101 -3.634 1.00 0.00 C ATOM 467 O ASN A 46 -23.216 -3.154 -2.998 1.00 0.00 O ATOM 468 CB ASN A 46 -22.991 -0.783 -1.430 1.00 0.00 C ATOM 469 CG ASN A 46 -22.193 -1.882 -0.758 1.00 0.00 C ATOM 470 OD1 ASN A 46 -21.123 -2.263 -1.219 1.00 0.00 O ATOM 471 ND2 ASN A 46 -22.723 -2.417 0.304 1.00 0.00 N ATOM 0 H ASN A 46 -23.209 0.997 -4.116 1.00 0.00 H new ATOM 0 HA ASN A 46 -21.802 -0.541 -3.219 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -22.676 0.179 -1.025 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -24.044 -0.906 -1.176 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -22.246 -3.181 0.783 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -23.616 -2.072 0.657 1.00 0.00 H new ATOM 478 N LYS A 47 -23.455 -2.080 -4.918 1.00 0.00 N ATOM 479 CA LYS A 47 -23.857 -3.301 -5.589 1.00 0.00 C ATOM 480 C LYS A 47 -22.730 -4.349 -5.634 1.00 0.00 C ATOM 481 O LYS A 47 -22.943 -5.513 -5.284 1.00 0.00 O ATOM 482 CB LYS A 47 -24.458 -3.026 -6.969 1.00 0.00 C ATOM 483 CG LYS A 47 -25.002 -4.255 -7.673 1.00 0.00 C ATOM 484 CD LYS A 47 -25.485 -3.922 -9.072 1.00 0.00 C ATOM 485 CE LYS A 47 -26.115 -5.132 -9.754 1.00 0.00 C ATOM 486 NZ LYS A 47 -27.335 -5.590 -9.060 1.00 0.00 N ATOM 0 H LYS A 47 -23.390 -1.254 -5.513 1.00 0.00 H new ATOM 0 HA LYS A 47 -24.651 -3.740 -4.986 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -25.262 -2.298 -6.863 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -23.695 -2.569 -7.599 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -24.226 -5.019 -7.726 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -25.824 -4.675 -7.093 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -26.213 -3.112 -9.023 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -24.648 -3.562 -9.670 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -26.359 -4.879 -10.786 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -25.391 -5.946 -9.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -27.866 -6.235 -9.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -27.071 -6.089 -8.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -27.929 -4.770 -8.824 1.00 0.00 H new ATOM 500 N ASP A 48 -21.552 -3.942 -6.037 1.00 0.00 N ATOM 501 CA ASP A 48 -20.407 -4.866 -6.079 1.00 0.00 C ATOM 502 C ASP A 48 -19.089 -4.103 -5.987 1.00 0.00 C ATOM 503 O ASP A 48 -18.011 -4.700 -5.915 1.00 0.00 O ATOM 504 CB ASP A 48 -20.424 -5.709 -7.369 1.00 0.00 C ATOM 505 CG ASP A 48 -19.828 -5.010 -8.580 1.00 0.00 C ATOM 506 OD1 ASP A 48 -20.236 -3.864 -8.927 1.00 0.00 O ATOM 507 OD2 ASP A 48 -18.960 -5.617 -9.240 1.00 0.00 O ATOM 0 H ASP A 48 -21.345 -2.991 -6.341 1.00 0.00 H new ATOM 0 HA ASP A 48 -20.493 -5.532 -5.221 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -19.876 -6.634 -7.192 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -21.454 -5.987 -7.594 1.00 0.00 H new ATOM 512 N GLU A 49 -19.191 -2.781 -5.965 1.00 0.00 N ATOM 513 CA GLU A 49 -18.050 -1.890 -5.940 1.00 0.00 C ATOM 514 C GLU A 49 -17.234 -2.099 -4.694 1.00 0.00 C ATOM 515 O GLU A 49 -16.037 -2.064 -4.749 1.00 0.00 O ATOM 516 CB GLU A 49 -18.528 -0.441 -6.033 1.00 0.00 C ATOM 517 CG GLU A 49 -17.417 0.585 -6.099 1.00 0.00 C ATOM 518 CD GLU A 49 -16.627 0.513 -7.382 1.00 0.00 C ATOM 519 OE1 GLU A 49 -15.723 -0.308 -7.494 1.00 0.00 O ATOM 520 OE2 GLU A 49 -16.911 1.299 -8.306 1.00 0.00 O ATOM 0 H GLU A 49 -20.087 -2.294 -5.964 1.00 0.00 H new ATOM 0 HA GLU A 49 -17.413 -2.111 -6.796 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -19.156 -0.335 -6.918 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -19.156 -0.223 -5.169 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -17.844 1.583 -5.997 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -16.743 0.439 -5.255 1.00 0.00 H new ATOM 527 N LYS A 50 -17.889 -2.359 -3.580 1.00 0.00 N ATOM 528 CA LYS A 50 -17.180 -2.538 -2.322 1.00 0.00 C ATOM 529 C LYS A 50 -16.250 -3.710 -2.381 1.00 0.00 C ATOM 530 O LYS A 50 -15.071 -3.606 -2.071 1.00 0.00 O ATOM 531 CB LYS A 50 -18.169 -2.715 -1.198 1.00 0.00 C ATOM 532 CG LYS A 50 -17.513 -2.892 0.159 1.00 0.00 C ATOM 533 CD LYS A 50 -18.279 -2.156 1.211 1.00 0.00 C ATOM 534 CE LYS A 50 -19.649 -2.760 1.479 1.00 0.00 C ATOM 535 NZ LYS A 50 -20.461 -1.950 2.428 1.00 0.00 N ATOM 0 H LYS A 50 -18.903 -2.451 -3.516 1.00 0.00 H new ATOM 0 HA LYS A 50 -16.581 -1.646 -2.140 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -18.829 -1.848 -1.164 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -18.794 -3.583 -1.407 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -17.464 -3.951 0.411 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -16.487 -2.525 0.124 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -17.703 -2.151 2.136 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -18.399 -1.117 0.905 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -20.189 -2.857 0.537 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -19.525 -3.766 1.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -21.413 -2.361 2.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -20.004 -1.949 3.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -20.534 -0.974 2.077 1.00 0.00 H new ATOM 549 N ALA A 51 -16.788 -4.779 -2.818 1.00 0.00 N ATOM 550 CA ALA A 51 -16.037 -6.011 -3.025 1.00 0.00 C ATOM 551 C ALA A 51 -14.874 -5.804 -4.020 1.00 0.00 C ATOM 552 O ALA A 51 -13.727 -6.211 -3.753 1.00 0.00 O ATOM 553 CB ALA A 51 -16.972 -7.095 -3.517 1.00 0.00 C ATOM 0 H ALA A 51 -17.777 -4.853 -3.054 1.00 0.00 H new ATOM 0 HA ALA A 51 -15.600 -6.314 -2.073 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -16.411 -8.017 -3.672 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -17.753 -7.266 -2.776 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -17.426 -6.784 -4.458 1.00 0.00 H new ATOM 559 N ARG A 52 -15.148 -5.120 -5.116 1.00 0.00 N ATOM 560 CA ARG A 52 -14.112 -4.821 -6.105 1.00 0.00 C ATOM 561 C ARG A 52 -13.065 -3.875 -5.557 1.00 0.00 C ATOM 562 O ARG A 52 -11.867 -4.034 -5.813 1.00 0.00 O ATOM 563 CB ARG A 52 -14.685 -4.267 -7.396 1.00 0.00 C ATOM 564 CG ARG A 52 -15.256 -5.315 -8.321 1.00 0.00 C ATOM 565 CD ARG A 52 -15.667 -4.689 -9.632 1.00 0.00 C ATOM 566 NE ARG A 52 -16.899 -3.918 -9.526 1.00 0.00 N ATOM 567 CZ ARG A 52 -17.026 -2.607 -9.762 1.00 0.00 C ATOM 568 NH1 ARG A 52 -15.957 -1.873 -10.100 1.00 0.00 N ATOM 569 NH2 ARG A 52 -18.232 -2.039 -9.666 1.00 0.00 N ATOM 0 H ARG A 52 -16.073 -4.760 -5.349 1.00 0.00 H new ATOM 0 HA ARG A 52 -13.634 -5.774 -6.332 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -15.467 -3.548 -7.154 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -13.902 -3.721 -7.923 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -14.516 -6.095 -8.499 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -16.116 -5.793 -7.853 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -14.866 -4.040 -9.987 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -15.797 -5.472 -10.379 1.00 0.00 H new ATOM 0 HE ARG A 52 -17.740 -4.423 -9.247 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -15.040 -2.313 -10.179 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -16.060 -0.874 -10.279 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -19.043 -2.604 -9.415 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -18.341 -1.041 -9.844 1.00 0.00 H new ATOM 583 N LEU A 53 -13.508 -2.903 -4.823 1.00 0.00 N ATOM 584 CA LEU A 53 -12.654 -1.971 -4.172 1.00 0.00 C ATOM 585 C LEU A 53 -11.734 -2.672 -3.139 1.00 0.00 C ATOM 586 O LEU A 53 -10.559 -2.313 -2.968 1.00 0.00 O ATOM 587 CB LEU A 53 -13.511 -0.932 -3.511 1.00 0.00 C ATOM 588 CG LEU A 53 -12.756 0.101 -2.797 1.00 0.00 C ATOM 589 CD1 LEU A 53 -11.994 0.990 -3.783 1.00 0.00 C ATOM 590 CD2 LEU A 53 -13.638 0.886 -1.859 1.00 0.00 C ATOM 0 H LEU A 53 -14.500 -2.735 -4.658 1.00 0.00 H new ATOM 0 HA LEU A 53 -11.999 -1.501 -4.906 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -14.133 -0.454 -4.268 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -14.184 -1.425 -2.810 1.00 0.00 H new ATOM 0 HG LEU A 53 -12.012 -0.388 -2.168 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -11.440 1.751 -3.233 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -11.299 0.380 -4.360 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -12.700 1.473 -4.458 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -13.043 1.643 -1.348 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -14.432 1.371 -2.427 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -14.078 0.212 -1.124 1.00 0.00 H new ATOM 602 N LEU A 54 -12.257 -3.669 -2.469 1.00 0.00 N ATOM 603 CA LEU A 54 -11.446 -4.467 -1.566 1.00 0.00 C ATOM 604 C LEU A 54 -10.369 -5.193 -2.353 1.00 0.00 C ATOM 605 O LEU A 54 -9.241 -5.348 -1.896 1.00 0.00 O ATOM 606 CB LEU A 54 -12.294 -5.434 -0.753 1.00 0.00 C ATOM 607 CG LEU A 54 -13.310 -4.787 0.183 1.00 0.00 C ATOM 608 CD1 LEU A 54 -14.093 -5.840 0.929 1.00 0.00 C ATOM 609 CD2 LEU A 54 -12.625 -3.836 1.153 1.00 0.00 C ATOM 0 H LEU A 54 -13.235 -3.951 -2.527 1.00 0.00 H new ATOM 0 HA LEU A 54 -10.966 -3.800 -0.850 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -12.826 -6.091 -1.441 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -11.630 -6.064 -0.161 1.00 0.00 H new ATOM 0 HG LEU A 54 -14.007 -4.207 -0.422 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -14.812 -5.358 1.591 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -14.623 -6.472 0.217 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -13.410 -6.452 1.519 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -13.370 -3.387 1.810 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -11.899 -4.387 1.751 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -12.114 -3.052 0.594 1.00 0.00 H new ATOM 621 N ARG A 55 -10.705 -5.571 -3.576 1.00 0.00 N ATOM 622 CA ARG A 55 -9.743 -6.241 -4.462 1.00 0.00 C ATOM 623 C ARG A 55 -8.656 -5.245 -4.874 1.00 0.00 C ATOM 624 O ARG A 55 -7.504 -5.624 -5.130 1.00 0.00 O ATOM 625 CB ARG A 55 -10.431 -6.831 -5.710 1.00 0.00 C ATOM 626 CG ARG A 55 -11.520 -7.846 -5.406 1.00 0.00 C ATOM 627 CD ARG A 55 -10.978 -9.075 -4.699 1.00 0.00 C ATOM 628 NE ARG A 55 -12.060 -9.949 -4.249 1.00 0.00 N ATOM 629 CZ ARG A 55 -11.908 -11.187 -3.768 1.00 0.00 C ATOM 630 NH1 ARG A 55 -10.741 -11.806 -3.873 1.00 0.00 N ATOM 631 NH2 ARG A 55 -12.943 -11.817 -3.228 1.00 0.00 N ATOM 0 H ARG A 55 -11.629 -5.430 -3.984 1.00 0.00 H new ATOM 0 HA ARG A 55 -9.295 -7.072 -3.917 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -10.863 -6.016 -6.291 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -9.675 -7.304 -6.337 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -12.285 -7.380 -4.785 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -12.003 -8.147 -6.335 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -10.320 -9.624 -5.373 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -10.375 -8.769 -3.844 1.00 0.00 H new ATOM 0 HE ARG A 55 -13.011 -9.584 -4.307 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -9.954 -11.338 -4.322 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -10.630 -12.751 -3.504 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -13.852 -11.357 -3.181 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -12.830 -12.762 -2.860 1.00 0.00 H new ATOM 645 N GLU A 56 -9.029 -3.966 -4.897 1.00 0.00 N ATOM 646 CA GLU A 56 -8.111 -2.887 -5.191 1.00 0.00 C ATOM 647 C GLU A 56 -7.064 -2.788 -4.087 1.00 0.00 C ATOM 648 O GLU A 56 -5.879 -2.606 -4.361 1.00 0.00 O ATOM 649 CB GLU A 56 -8.857 -1.557 -5.351 1.00 0.00 C ATOM 650 CG GLU A 56 -7.969 -0.393 -5.737 1.00 0.00 C ATOM 651 CD GLU A 56 -8.726 0.906 -5.946 1.00 0.00 C ATOM 652 OE1 GLU A 56 -9.672 0.922 -6.751 1.00 0.00 O ATOM 653 OE2 GLU A 56 -8.345 1.951 -5.379 1.00 0.00 O ATOM 0 H GLU A 56 -9.983 -3.657 -4.710 1.00 0.00 H new ATOM 0 HA GLU A 56 -7.612 -3.101 -6.136 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -9.632 -1.676 -6.109 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -9.361 -1.320 -4.414 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -7.219 -0.246 -4.960 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -7.434 -0.643 -6.653 1.00 0.00 H new ATOM 660 N LEU A 57 -7.475 -2.953 -2.837 1.00 0.00 N ATOM 661 CA LEU A 57 -6.488 -2.916 -1.773 1.00 0.00 C ATOM 662 C LEU A 57 -5.653 -4.173 -1.796 1.00 0.00 C ATOM 663 O LEU A 57 -4.484 -4.128 -1.505 1.00 0.00 O ATOM 664 CB LEU A 57 -7.076 -2.598 -0.366 1.00 0.00 C ATOM 665 CG LEU A 57 -8.068 -3.568 0.278 1.00 0.00 C ATOM 666 CD1 LEU A 57 -7.356 -4.759 0.900 1.00 0.00 C ATOM 667 CD2 LEU A 57 -8.916 -2.845 1.306 1.00 0.00 C ATOM 0 H LEU A 57 -8.440 -3.107 -2.545 1.00 0.00 H new ATOM 0 HA LEU A 57 -5.834 -2.067 -1.974 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -6.236 -2.488 0.320 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -7.566 -1.626 -0.430 1.00 0.00 H new ATOM 0 HG LEU A 57 -8.723 -3.953 -0.504 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -8.090 -5.428 1.349 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -6.801 -5.294 0.130 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -6.666 -4.410 1.668 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -9.618 -3.546 1.757 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -8.272 -2.428 2.080 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -9.468 -2.040 0.821 1.00 0.00 H new ATOM 679 N THR A 58 -6.263 -5.279 -2.215 1.00 0.00 N ATOM 680 CA THR A 58 -5.569 -6.550 -2.299 1.00 0.00 C ATOM 681 C THR A 58 -4.401 -6.455 -3.313 1.00 0.00 C ATOM 682 O THR A 58 -3.241 -6.834 -3.029 1.00 0.00 O ATOM 683 CB THR A 58 -6.547 -7.676 -2.706 1.00 0.00 C ATOM 684 OG1 THR A 58 -7.686 -7.658 -1.832 1.00 0.00 O ATOM 685 CG2 THR A 58 -5.884 -9.033 -2.607 1.00 0.00 C ATOM 0 H THR A 58 -7.241 -5.315 -2.502 1.00 0.00 H new ATOM 0 HA THR A 58 -5.161 -6.789 -1.317 1.00 0.00 H new ATOM 0 HB THR A 58 -6.852 -7.505 -3.738 1.00 0.00 H new ATOM 0 HG1 THR A 58 -8.239 -6.874 -2.031 1.00 0.00 H new ATOM 0 HG21 THR A 58 -6.594 -9.807 -2.899 1.00 0.00 H new ATOM 0 HG22 THR A 58 -5.020 -9.065 -3.270 1.00 0.00 H new ATOM 0 HG23 THR A 58 -5.560 -9.206 -1.581 1.00 0.00 H new ATOM 693 N VAL A 59 -4.694 -5.895 -4.467 1.00 0.00 N ATOM 694 CA VAL A 59 -3.677 -5.699 -5.468 1.00 0.00 C ATOM 695 C VAL A 59 -2.631 -4.679 -4.947 1.00 0.00 C ATOM 696 O VAL A 59 -1.434 -4.838 -5.153 1.00 0.00 O ATOM 697 CB VAL A 59 -4.256 -5.348 -6.884 1.00 0.00 C ATOM 698 CG1 VAL A 59 -4.927 -3.993 -6.947 1.00 0.00 C ATOM 699 CG2 VAL A 59 -3.211 -5.505 -7.969 1.00 0.00 C ATOM 0 H VAL A 59 -5.624 -5.570 -4.731 1.00 0.00 H new ATOM 0 HA VAL A 59 -3.167 -6.648 -5.632 1.00 0.00 H new ATOM 0 HB VAL A 59 -5.045 -6.077 -7.069 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -5.302 -3.819 -7.955 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -5.757 -3.965 -6.241 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -4.206 -3.217 -6.690 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -3.649 -5.253 -8.935 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -2.373 -4.839 -7.766 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -2.858 -6.536 -7.988 1.00 0.00 H new ATOM 709 N SER A 60 -3.102 -3.663 -4.215 1.00 0.00 N ATOM 710 CA SER A 60 -2.223 -2.673 -3.576 1.00 0.00 C ATOM 711 C SER A 60 -1.250 -3.319 -2.602 1.00 0.00 C ATOM 712 O SER A 60 -0.103 -2.868 -2.433 1.00 0.00 O ATOM 713 CB SER A 60 -3.023 -1.547 -2.921 1.00 0.00 C ATOM 714 OG SER A 60 -3.835 -0.897 -3.886 1.00 0.00 O ATOM 0 H SER A 60 -4.096 -3.503 -4.049 1.00 0.00 H new ATOM 0 HA SER A 60 -1.623 -2.222 -4.366 1.00 0.00 H new ATOM 0 HB2 SER A 60 -3.646 -1.951 -2.123 1.00 0.00 H new ATOM 0 HB3 SER A 60 -2.344 -0.828 -2.463 1.00 0.00 H new ATOM 0 HG SER A 60 -4.517 -1.520 -4.213 1.00 0.00 H new ATOM 720 N GLU A 61 -1.690 -4.399 -2.037 1.00 0.00 N ATOM 721 CA GLU A 61 -0.884 -5.158 -1.071 1.00 0.00 C ATOM 722 C GLU A 61 0.245 -5.790 -1.825 1.00 0.00 C ATOM 723 O GLU A 61 1.396 -5.821 -1.370 1.00 0.00 O ATOM 724 CB GLU A 61 -1.670 -6.277 -0.378 1.00 0.00 C ATOM 725 CG GLU A 61 -2.856 -5.848 0.452 1.00 0.00 C ATOM 726 CD GLU A 61 -3.555 -7.035 1.060 1.00 0.00 C ATOM 727 OE1 GLU A 61 -4.145 -7.848 0.312 1.00 0.00 O ATOM 728 OE2 GLU A 61 -3.514 -7.201 2.278 1.00 0.00 O ATOM 0 H GLU A 61 -2.612 -4.797 -2.216 1.00 0.00 H new ATOM 0 HA GLU A 61 -0.549 -4.466 -0.299 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -2.020 -6.972 -1.141 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -0.984 -6.829 0.265 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -2.525 -5.174 1.242 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -3.556 -5.290 -0.170 1.00 0.00 H new ATOM 735 N ALA A 62 -0.093 -6.257 -3.013 1.00 0.00 N ATOM 736 CA ALA A 62 0.862 -6.897 -3.883 1.00 0.00 C ATOM 737 C ALA A 62 1.943 -5.920 -4.329 1.00 0.00 C ATOM 738 O ALA A 62 3.099 -6.317 -4.528 1.00 0.00 O ATOM 739 CB ALA A 62 0.178 -7.537 -5.078 1.00 0.00 C ATOM 0 H ALA A 62 -1.037 -6.201 -3.396 1.00 0.00 H new ATOM 0 HA ALA A 62 1.345 -7.691 -3.313 1.00 0.00 H new ATOM 0 HB1 ALA A 62 0.925 -8.011 -5.714 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -0.532 -8.288 -4.732 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -0.351 -6.772 -5.647 1.00 0.00 H new ATOM 745 N PHE A 63 1.589 -4.639 -4.493 1.00 0.00 N ATOM 746 CA PHE A 63 2.609 -3.639 -4.868 1.00 0.00 C ATOM 747 C PHE A 63 3.557 -3.473 -3.716 1.00 0.00 C ATOM 748 O PHE A 63 4.746 -3.455 -3.911 1.00 0.00 O ATOM 749 CB PHE A 63 2.045 -2.250 -5.228 1.00 0.00 C ATOM 750 CG PHE A 63 0.808 -2.273 -6.039 1.00 0.00 C ATOM 751 CD1 PHE A 63 0.624 -3.201 -7.044 1.00 0.00 C ATOM 752 CD2 PHE A 63 -0.213 -1.421 -5.724 1.00 0.00 C ATOM 753 CE1 PHE A 63 -0.562 -3.260 -7.711 1.00 0.00 C ATOM 754 CE2 PHE A 63 -1.405 -1.494 -6.364 1.00 0.00 C ATOM 755 CZ PHE A 63 -1.583 -2.404 -7.348 1.00 0.00 C ATOM 0 H PHE A 63 0.643 -4.275 -4.378 1.00 0.00 H new ATOM 0 HA PHE A 63 3.094 -4.020 -5.767 1.00 0.00 H new ATOM 0 HB2 PHE A 63 1.848 -1.704 -4.306 1.00 0.00 H new ATOM 0 HB3 PHE A 63 2.808 -1.693 -5.771 1.00 0.00 H new ATOM 0 HD1 PHE A 63 1.422 -3.882 -7.302 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -0.068 -0.678 -4.953 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -0.702 -3.968 -8.514 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -2.210 -0.828 -6.089 1.00 0.00 H new ATOM 0 HZ PHE A 63 -2.534 -2.462 -7.856 1.00 0.00 H new ATOM 765 N ILE A 64 3.011 -3.384 -2.501 1.00 0.00 N ATOM 766 CA ILE A 64 3.824 -3.258 -1.289 1.00 0.00 C ATOM 767 C ILE A 64 4.774 -4.437 -1.137 1.00 0.00 C ATOM 768 O ILE A 64 5.966 -4.253 -0.950 1.00 0.00 O ATOM 769 CB ILE A 64 2.955 -3.075 -0.001 1.00 0.00 C ATOM 770 CG1 ILE A 64 2.336 -1.672 0.050 1.00 0.00 C ATOM 771 CG2 ILE A 64 3.756 -3.350 1.274 1.00 0.00 C ATOM 772 CD1 ILE A 64 3.355 -0.540 0.228 1.00 0.00 C ATOM 0 H ILE A 64 2.006 -3.397 -2.330 1.00 0.00 H new ATOM 0 HA ILE A 64 4.417 -2.351 -1.406 1.00 0.00 H new ATOM 0 HB ILE A 64 2.152 -3.810 -0.052 1.00 0.00 H new ATOM 0 HG12 ILE A 64 1.777 -1.501 -0.870 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.620 -1.633 0.871 1.00 0.00 H new ATOM 0 HG21 ILE A 64 3.114 -3.211 2.144 1.00 0.00 H new ATOM 0 HG22 ILE A 64 4.127 -4.375 1.257 1.00 0.00 H new ATOM 0 HG23 ILE A 64 4.598 -2.660 1.331 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.834 0.417 0.254 1.00 0.00 H new ATOM 0 HD12 ILE A 64 3.898 -0.683 1.162 1.00 0.00 H new ATOM 0 HD13 ILE A 64 4.058 -0.549 -0.605 1.00 0.00 H new ATOM 784 N GLU A 65 4.259 -5.633 -1.259 1.00 0.00 N ATOM 785 CA GLU A 65 5.092 -6.817 -1.132 1.00 0.00 C ATOM 786 C GLU A 65 6.139 -6.901 -2.250 1.00 0.00 C ATOM 787 O GLU A 65 7.284 -7.322 -2.024 1.00 0.00 O ATOM 788 CB GLU A 65 4.249 -8.086 -1.032 1.00 0.00 C ATOM 789 CG GLU A 65 3.411 -8.138 0.237 1.00 0.00 C ATOM 790 CD GLU A 65 2.811 -9.491 0.489 1.00 0.00 C ATOM 791 OE1 GLU A 65 3.510 -10.354 1.082 1.00 0.00 O ATOM 792 OE2 GLU A 65 1.643 -9.732 0.107 1.00 0.00 O ATOM 0 H GLU A 65 3.274 -5.820 -1.445 1.00 0.00 H new ATOM 0 HA GLU A 65 5.644 -6.728 -0.196 1.00 0.00 H new ATOM 0 HB2 GLU A 65 3.592 -8.149 -1.899 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.905 -8.956 -1.065 1.00 0.00 H new ATOM 0 HG2 GLU A 65 4.032 -7.858 1.088 1.00 0.00 H new ATOM 0 HG3 GLU A 65 2.612 -7.399 0.169 1.00 0.00 H new ATOM 799 N GLY A 66 5.762 -6.443 -3.426 1.00 0.00 N ATOM 800 CA GLY A 66 6.658 -6.436 -4.553 1.00 0.00 C ATOM 801 C GLY A 66 7.729 -5.373 -4.427 1.00 0.00 C ATOM 802 O GLY A 66 8.893 -5.619 -4.711 1.00 0.00 O ATOM 0 H GLY A 66 4.833 -6.069 -3.622 1.00 0.00 H new ATOM 0 HA2 GLY A 66 7.129 -7.414 -4.646 1.00 0.00 H new ATOM 0 HA3 GLY A 66 6.088 -6.268 -5.467 1.00 0.00 H new ATOM 806 N SER A 67 7.347 -4.209 -3.966 1.00 0.00 N ATOM 807 CA SER A 67 8.254 -3.107 -3.811 1.00 0.00 C ATOM 808 C SER A 67 9.198 -3.357 -2.654 1.00 0.00 C ATOM 809 O SER A 67 10.348 -2.929 -2.681 1.00 0.00 O ATOM 810 CB SER A 67 7.498 -1.795 -3.666 1.00 0.00 C ATOM 811 OG SER A 67 6.504 -1.903 -2.673 1.00 0.00 O ATOM 0 H SER A 67 6.389 -4.001 -3.686 1.00 0.00 H new ATOM 0 HA SER A 67 8.860 -3.023 -4.713 1.00 0.00 H new ATOM 0 HB2 SER A 67 8.192 -0.995 -3.408 1.00 0.00 H new ATOM 0 HB3 SER A 67 7.041 -1.525 -4.618 1.00 0.00 H new ATOM 0 HG SER A 67 5.680 -2.252 -3.072 1.00 0.00 H new ATOM 817 N ARG A 68 8.723 -4.068 -1.644 1.00 0.00 N ATOM 818 CA ARG A 68 9.587 -4.448 -0.549 1.00 0.00 C ATOM 819 C ARG A 68 10.668 -5.368 -1.045 1.00 0.00 C ATOM 820 O ARG A 68 11.849 -5.171 -0.742 1.00 0.00 O ATOM 821 CB ARG A 68 8.832 -5.044 0.645 1.00 0.00 C ATOM 822 CG ARG A 68 7.926 -4.061 1.368 1.00 0.00 C ATOM 823 CD ARG A 68 7.112 -4.742 2.462 1.00 0.00 C ATOM 824 NE ARG A 68 7.940 -5.290 3.549 1.00 0.00 N ATOM 825 CZ ARG A 68 7.456 -5.725 4.728 1.00 0.00 C ATOM 826 NH1 ARG A 68 6.140 -5.839 4.908 1.00 0.00 N ATOM 827 NH2 ARG A 68 8.285 -6.085 5.700 1.00 0.00 N ATOM 0 H ARG A 68 7.758 -4.388 -1.563 1.00 0.00 H new ATOM 0 HA ARG A 68 10.046 -3.536 -0.167 1.00 0.00 H new ATOM 0 HB2 ARG A 68 8.232 -5.885 0.297 1.00 0.00 H new ATOM 0 HB3 ARG A 68 9.556 -5.442 1.355 1.00 0.00 H new ATOM 0 HG2 ARG A 68 8.529 -3.265 1.805 1.00 0.00 H new ATOM 0 HG3 ARG A 68 7.252 -3.593 0.651 1.00 0.00 H new ATOM 0 HD2 ARG A 68 6.405 -4.025 2.879 1.00 0.00 H new ATOM 0 HD3 ARG A 68 6.525 -5.547 2.020 1.00 0.00 H new ATOM 0 HE ARG A 68 8.947 -5.344 3.399 1.00 0.00 H new ATOM 0 HH11 ARG A 68 5.499 -5.597 4.152 1.00 0.00 H new ATOM 0 HH12 ARG A 68 5.774 -6.169 5.801 1.00 0.00 H new ATOM 0 HH21 ARG A 68 9.293 -6.033 5.556 1.00 0.00 H new ATOM 0 HH22 ARG A 68 7.914 -6.414 6.591 1.00 0.00 H new ATOM 841 N GLY A 69 10.276 -6.319 -1.862 1.00 0.00 N ATOM 842 CA GLY A 69 11.229 -7.191 -2.476 1.00 0.00 C ATOM 843 C GLY A 69 12.113 -6.434 -3.437 1.00 0.00 C ATOM 844 O GLY A 69 13.247 -6.814 -3.671 1.00 0.00 O ATOM 0 H GLY A 69 9.304 -6.502 -2.111 1.00 0.00 H new ATOM 0 HA2 GLY A 69 11.841 -7.665 -1.709 1.00 0.00 H new ATOM 0 HA3 GLY A 69 10.709 -7.989 -3.006 1.00 0.00 H new ATOM 848 N TYR A 70 11.602 -5.333 -3.933 1.00 0.00 N ATOM 849 CA TYR A 70 12.299 -4.502 -4.892 1.00 0.00 C ATOM 850 C TYR A 70 13.431 -3.824 -4.199 1.00 0.00 C ATOM 851 O TYR A 70 14.564 -3.906 -4.638 1.00 0.00 O ATOM 852 CB TYR A 70 11.334 -3.468 -5.505 1.00 0.00 C ATOM 853 CG TYR A 70 11.939 -2.440 -6.442 1.00 0.00 C ATOM 854 CD1 TYR A 70 12.409 -1.223 -5.955 1.00 0.00 C ATOM 855 CD2 TYR A 70 12.010 -2.667 -7.809 1.00 0.00 C ATOM 856 CE1 TYR A 70 12.930 -0.275 -6.794 1.00 0.00 C ATOM 857 CE2 TYR A 70 12.530 -1.709 -8.659 1.00 0.00 C ATOM 858 CZ TYR A 70 12.989 -0.516 -8.141 1.00 0.00 C ATOM 859 OH TYR A 70 13.495 0.450 -8.977 1.00 0.00 O ATOM 0 H TYR A 70 10.678 -4.982 -3.680 1.00 0.00 H new ATOM 0 HA TYR A 70 12.686 -5.116 -5.705 1.00 0.00 H new ATOM 0 HB2 TYR A 70 10.558 -4.008 -6.048 1.00 0.00 H new ATOM 0 HB3 TYR A 70 10.842 -2.937 -4.690 1.00 0.00 H new ATOM 0 HD1 TYR A 70 12.362 -1.023 -4.895 1.00 0.00 H new ATOM 0 HD2 TYR A 70 11.655 -3.603 -8.214 1.00 0.00 H new ATOM 0 HE1 TYR A 70 13.294 0.660 -6.395 1.00 0.00 H new ATOM 0 HE2 TYR A 70 12.577 -1.894 -9.722 1.00 0.00 H new ATOM 0 HH TYR A 70 13.471 0.128 -9.902 1.00 0.00 H new ATOM 869 N PHE A 71 13.119 -3.188 -3.091 1.00 0.00 N ATOM 870 CA PHE A 71 14.096 -2.470 -2.315 1.00 0.00 C ATOM 871 C PHE A 71 15.167 -3.384 -1.753 1.00 0.00 C ATOM 872 O PHE A 71 16.343 -3.026 -1.741 1.00 0.00 O ATOM 873 CB PHE A 71 13.460 -1.573 -1.255 1.00 0.00 C ATOM 874 CG PHE A 71 12.643 -0.458 -1.852 1.00 0.00 C ATOM 875 CD1 PHE A 71 13.208 0.412 -2.775 1.00 0.00 C ATOM 876 CD2 PHE A 71 11.325 -0.278 -1.499 1.00 0.00 C ATOM 877 CE1 PHE A 71 12.470 1.432 -3.332 1.00 0.00 C ATOM 878 CE2 PHE A 71 10.584 0.743 -2.053 1.00 0.00 C ATOM 879 CZ PHE A 71 11.154 1.596 -2.970 1.00 0.00 C ATOM 0 H PHE A 71 12.176 -3.157 -2.705 1.00 0.00 H new ATOM 0 HA PHE A 71 14.605 -1.796 -3.004 1.00 0.00 H new ATOM 0 HB2 PHE A 71 12.825 -2.177 -0.607 1.00 0.00 H new ATOM 0 HB3 PHE A 71 14.243 -1.148 -0.627 1.00 0.00 H new ATOM 0 HD1 PHE A 71 14.242 0.287 -3.060 1.00 0.00 H new ATOM 0 HD2 PHE A 71 10.868 -0.943 -0.781 1.00 0.00 H new ATOM 0 HE1 PHE A 71 12.923 2.100 -4.050 1.00 0.00 H new ATOM 0 HE2 PHE A 71 9.551 0.874 -1.766 1.00 0.00 H new ATOM 0 HZ PHE A 71 10.569 2.393 -3.405 1.00 0.00 H new ATOM 889 N GLN A 72 14.770 -4.572 -1.302 1.00 0.00 N ATOM 890 CA GLN A 72 15.741 -5.554 -0.835 1.00 0.00 C ATOM 891 C GLN A 72 16.698 -5.931 -1.988 1.00 0.00 C ATOM 892 O GLN A 72 17.890 -6.124 -1.781 1.00 0.00 O ATOM 893 CB GLN A 72 15.053 -6.802 -0.257 1.00 0.00 C ATOM 894 CG GLN A 72 14.105 -6.498 0.901 1.00 0.00 C ATOM 895 CD GLN A 72 13.478 -7.731 1.546 1.00 0.00 C ATOM 896 OE1 GLN A 72 13.144 -7.715 2.732 1.00 0.00 O ATOM 897 NE2 GLN A 72 13.336 -8.803 0.805 1.00 0.00 N ATOM 0 H GLN A 72 13.797 -4.874 -1.251 1.00 0.00 H new ATOM 0 HA GLN A 72 16.319 -5.107 -0.026 1.00 0.00 H new ATOM 0 HB2 GLN A 72 14.495 -7.299 -1.051 1.00 0.00 H new ATOM 0 HB3 GLN A 72 15.816 -7.502 0.084 1.00 0.00 H new ATOM 0 HG2 GLN A 72 14.650 -5.942 1.664 1.00 0.00 H new ATOM 0 HG3 GLN A 72 13.308 -5.847 0.541 1.00 0.00 H new ATOM 0 HE21 GLN A 72 13.621 -8.788 -0.174 1.00 0.00 H new ATOM 0 HE22 GLN A 72 12.940 -9.653 1.208 1.00 0.00 H new ATOM 906 N ARG A 73 16.167 -6.033 -3.200 1.00 0.00 N ATOM 907 CA ARG A 73 16.993 -6.280 -4.383 1.00 0.00 C ATOM 908 C ARG A 73 17.842 -5.069 -4.747 1.00 0.00 C ATOM 909 O ARG A 73 18.930 -5.205 -5.281 1.00 0.00 O ATOM 910 CB ARG A 73 16.170 -6.770 -5.574 1.00 0.00 C ATOM 911 CG ARG A 73 15.936 -8.277 -5.605 1.00 0.00 C ATOM 912 CD ARG A 73 15.301 -8.803 -4.330 1.00 0.00 C ATOM 913 NE ARG A 73 15.043 -10.246 -4.346 1.00 0.00 N ATOM 914 CZ ARG A 73 13.873 -10.810 -3.980 1.00 0.00 C ATOM 915 NH1 ARG A 73 12.793 -10.046 -3.763 1.00 0.00 N ATOM 916 NH2 ARG A 73 13.775 -12.128 -3.866 1.00 0.00 N ATOM 0 H ARG A 73 15.169 -5.949 -3.393 1.00 0.00 H new ATOM 0 HA ARG A 73 17.677 -7.087 -4.119 1.00 0.00 H new ATOM 0 HB2 ARG A 73 15.204 -6.265 -5.564 1.00 0.00 H new ATOM 0 HB3 ARG A 73 16.674 -6.475 -6.494 1.00 0.00 H new ATOM 0 HG2 ARG A 73 15.295 -8.523 -6.452 1.00 0.00 H new ATOM 0 HG3 ARG A 73 16.887 -8.784 -5.767 1.00 0.00 H new ATOM 0 HD2 ARG A 73 15.953 -8.570 -3.488 1.00 0.00 H new ATOM 0 HD3 ARG A 73 14.361 -8.278 -4.160 1.00 0.00 H new ATOM 0 HE ARG A 73 15.795 -10.863 -4.653 1.00 0.00 H new ATOM 0 HH11 ARG A 73 12.854 -9.034 -3.874 1.00 0.00 H new ATOM 0 HH12 ARG A 73 11.911 -10.477 -3.487 1.00 0.00 H new ATOM 0 HH21 ARG A 73 14.585 -12.718 -4.055 1.00 0.00 H new ATOM 0 HH22 ARG A 73 12.889 -12.551 -3.589 1.00 0.00 H new ATOM 930 N GLU A 74 17.324 -3.892 -4.489 1.00 0.00 N ATOM 931 CA GLU A 74 18.068 -2.633 -4.703 1.00 0.00 C ATOM 932 C GLU A 74 19.287 -2.574 -3.806 1.00 0.00 C ATOM 933 O GLU A 74 20.318 -2.028 -4.177 1.00 0.00 O ATOM 934 CB GLU A 74 17.194 -1.399 -4.474 1.00 0.00 C ATOM 935 CG GLU A 74 16.036 -1.264 -5.438 1.00 0.00 C ATOM 936 CD GLU A 74 16.484 -1.140 -6.867 1.00 0.00 C ATOM 937 OE1 GLU A 74 16.757 -2.168 -7.513 1.00 0.00 O ATOM 938 OE2 GLU A 74 16.567 -0.025 -7.377 1.00 0.00 O ATOM 0 H GLU A 74 16.380 -3.760 -4.126 1.00 0.00 H new ATOM 0 HA GLU A 74 18.386 -2.626 -5.746 1.00 0.00 H new ATOM 0 HB2 GLU A 74 16.802 -1.430 -3.457 1.00 0.00 H new ATOM 0 HB3 GLU A 74 17.818 -0.508 -4.548 1.00 0.00 H new ATOM 0 HG2 GLU A 74 15.384 -2.132 -5.340 1.00 0.00 H new ATOM 0 HG3 GLU A 74 15.445 -0.389 -5.169 1.00 0.00 H new ATOM 945 N LEU A 75 19.170 -3.186 -2.647 1.00 0.00 N ATOM 946 CA LEU A 75 20.256 -3.288 -1.687 1.00 0.00 C ATOM 947 C LEU A 75 21.438 -4.085 -2.299 1.00 0.00 C ATOM 948 O LEU A 75 22.584 -3.931 -1.891 1.00 0.00 O ATOM 949 CB LEU A 75 19.736 -3.983 -0.413 1.00 0.00 C ATOM 950 CG LEU A 75 20.696 -4.091 0.777 1.00 0.00 C ATOM 951 CD1 LEU A 75 21.014 -2.725 1.340 1.00 0.00 C ATOM 952 CD2 LEU A 75 20.114 -4.982 1.856 1.00 0.00 C ATOM 0 H LEU A 75 18.307 -3.634 -2.338 1.00 0.00 H new ATOM 0 HA LEU A 75 20.616 -2.291 -1.432 1.00 0.00 H new ATOM 0 HB2 LEU A 75 18.845 -3.451 -0.079 1.00 0.00 H new ATOM 0 HB3 LEU A 75 19.422 -4.991 -0.684 1.00 0.00 H new ATOM 0 HG LEU A 75 21.623 -4.539 0.420 1.00 0.00 H new ATOM 0 HD11 LEU A 75 21.697 -2.829 2.183 1.00 0.00 H new ATOM 0 HD12 LEU A 75 21.481 -2.113 0.568 1.00 0.00 H new ATOM 0 HD13 LEU A 75 20.094 -2.246 1.675 1.00 0.00 H new ATOM 0 HD21 LEU A 75 20.811 -5.045 2.691 1.00 0.00 H new ATOM 0 HD22 LEU A 75 19.169 -4.564 2.203 1.00 0.00 H new ATOM 0 HD23 LEU A 75 19.942 -5.979 1.451 1.00 0.00 H new ATOM 964 N LYS A 76 21.145 -4.880 -3.324 1.00 0.00 N ATOM 965 CA LYS A 76 22.144 -5.722 -3.982 1.00 0.00 C ATOM 966 C LYS A 76 22.890 -4.965 -5.091 1.00 0.00 C ATOM 967 O LYS A 76 23.848 -5.491 -5.669 1.00 0.00 O ATOM 968 CB LYS A 76 21.495 -6.975 -4.579 1.00 0.00 C ATOM 969 CG LYS A 76 20.840 -7.905 -3.566 1.00 0.00 C ATOM 970 CD LYS A 76 20.152 -9.093 -4.251 1.00 0.00 C ATOM 971 CE LYS A 76 21.137 -9.958 -5.037 1.00 0.00 C ATOM 972 NZ LYS A 76 20.468 -11.094 -5.697 1.00 0.00 N ATOM 0 H LYS A 76 20.210 -4.960 -3.723 1.00 0.00 H new ATOM 0 HA LYS A 76 22.863 -6.012 -3.216 1.00 0.00 H new ATOM 0 HB2 LYS A 76 20.743 -6.666 -5.305 1.00 0.00 H new ATOM 0 HB3 LYS A 76 22.255 -7.534 -5.125 1.00 0.00 H new ATOM 0 HG2 LYS A 76 21.593 -8.273 -2.869 1.00 0.00 H new ATOM 0 HG3 LYS A 76 20.108 -7.348 -2.980 1.00 0.00 H new ATOM 0 HD2 LYS A 76 19.654 -9.705 -3.499 1.00 0.00 H new ATOM 0 HD3 LYS A 76 19.379 -8.723 -4.924 1.00 0.00 H new ATOM 0 HE2 LYS A 76 21.638 -9.346 -5.787 1.00 0.00 H new ATOM 0 HE3 LYS A 76 21.908 -10.332 -4.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 21.171 -11.655 -6.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 20.011 -11.692 -4.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 19.749 -10.737 -6.359 1.00 0.00 H new ATOM 986 N ARG A 77 22.441 -3.749 -5.392 1.00 0.00 N ATOM 987 CA ARG A 77 23.045 -2.926 -6.459 1.00 0.00 C ATOM 988 C ARG A 77 24.389 -2.375 -6.035 1.00 0.00 C ATOM 989 O ARG A 77 25.269 -2.168 -6.857 1.00 0.00 O ATOM 990 CB ARG A 77 22.135 -1.751 -6.820 1.00 0.00 C ATOM 991 CG ARG A 77 20.832 -2.140 -7.471 1.00 0.00 C ATOM 992 CD ARG A 77 19.905 -0.944 -7.623 1.00 0.00 C ATOM 993 NE ARG A 77 20.459 0.130 -8.458 1.00 0.00 N ATOM 994 CZ ARG A 77 19.724 1.121 -9.004 1.00 0.00 C ATOM 995 NH1 ARG A 77 18.424 1.234 -8.743 1.00 0.00 N ATOM 996 NH2 ARG A 77 20.292 2.007 -9.787 1.00 0.00 N ATOM 0 H ARG A 77 21.658 -3.302 -4.915 1.00 0.00 H new ATOM 0 HA ARG A 77 23.176 -3.575 -7.325 1.00 0.00 H new ATOM 0 HB2 ARG A 77 21.918 -1.185 -5.914 1.00 0.00 H new ATOM 0 HB3 ARG A 77 22.676 -1.083 -7.491 1.00 0.00 H new ATOM 0 HG2 ARG A 77 21.029 -2.575 -8.451 1.00 0.00 H new ATOM 0 HG3 ARG A 77 20.341 -2.908 -6.874 1.00 0.00 H new ATOM 0 HD2 ARG A 77 18.962 -1.279 -8.056 1.00 0.00 H new ATOM 0 HD3 ARG A 77 19.678 -0.544 -6.635 1.00 0.00 H new ATOM 0 HE ARG A 77 21.463 0.126 -8.636 1.00 0.00 H new ATOM 0 HH11 ARG A 77 17.969 0.565 -8.122 1.00 0.00 H new ATOM 0 HH12 ARG A 77 17.883 1.989 -9.164 1.00 0.00 H new ATOM 0 HH21 ARG A 77 21.291 1.947 -9.984 1.00 0.00 H new ATOM 0 HH22 ARG A 77 19.735 2.755 -10.199 1.00 0.00 H new ATOM 1010 N THR A 78 24.506 -2.094 -4.739 1.00 0.00 N ATOM 1011 CA THR A 78 25.713 -1.514 -4.130 1.00 0.00 C ATOM 1012 C THR A 78 25.858 0.005 -4.495 1.00 0.00 C ATOM 1013 O THR A 78 26.718 0.714 -3.959 1.00 0.00 O ATOM 1014 CB THR A 78 26.989 -2.328 -4.511 1.00 0.00 C ATOM 1015 OG1 THR A 78 26.728 -3.738 -4.298 1.00 0.00 O ATOM 1016 CG2 THR A 78 28.176 -1.931 -3.640 1.00 0.00 C ATOM 0 H THR A 78 23.757 -2.263 -4.068 1.00 0.00 H new ATOM 0 HA THR A 78 25.604 -1.578 -3.047 1.00 0.00 H new ATOM 0 HB THR A 78 27.227 -2.121 -5.554 1.00 0.00 H new ATOM 0 HG1 THR A 78 27.524 -4.258 -4.536 1.00 0.00 H new ATOM 0 HG21 THR A 78 29.050 -2.515 -3.928 1.00 0.00 H new ATOM 0 HG22 THR A 78 28.387 -0.870 -3.775 1.00 0.00 H new ATOM 0 HG23 THR A 78 27.940 -2.124 -2.594 1.00 0.00 H new ATOM 1024 N ASP A 79 24.966 0.484 -5.372 1.00 0.00 N ATOM 1025 CA ASP A 79 24.924 1.896 -5.804 1.00 0.00 C ATOM 1026 C ASP A 79 24.582 2.788 -4.629 1.00 0.00 C ATOM 1027 O ASP A 79 25.080 3.915 -4.498 1.00 0.00 O ATOM 1028 CB ASP A 79 23.877 2.113 -6.914 1.00 0.00 C ATOM 1029 CG ASP A 79 24.194 1.433 -8.226 1.00 0.00 C ATOM 1030 OD1 ASP A 79 25.235 1.754 -8.839 1.00 0.00 O ATOM 1031 OD2 ASP A 79 23.365 0.612 -8.711 1.00 0.00 O ATOM 0 H ASP A 79 24.248 -0.096 -5.806 1.00 0.00 H new ATOM 0 HA ASP A 79 25.909 2.150 -6.195 1.00 0.00 H new ATOM 0 HB2 ASP A 79 22.911 1.753 -6.559 1.00 0.00 H new ATOM 0 HB3 ASP A 79 23.773 3.183 -7.092 1.00 0.00 H new ATOM 1036 N LEU A 80 23.720 2.268 -3.785 1.00 0.00 N ATOM 1037 CA LEU A 80 23.294 2.880 -2.579 1.00 0.00 C ATOM 1038 C LEU A 80 24.442 3.061 -1.640 1.00 0.00 C ATOM 1039 O LEU A 80 25.531 2.488 -1.778 1.00 0.00 O ATOM 1040 CB LEU A 80 22.314 1.955 -1.842 1.00 0.00 C ATOM 1041 CG LEU A 80 22.907 0.619 -1.383 1.00 0.00 C ATOM 1042 CD1 LEU A 80 22.381 0.243 -0.018 1.00 0.00 C ATOM 1043 CD2 LEU A 80 22.619 -0.489 -2.377 1.00 0.00 C ATOM 0 H LEU A 80 23.284 1.360 -3.943 1.00 0.00 H new ATOM 0 HA LEU A 80 22.843 3.835 -2.849 1.00 0.00 H new ATOM 0 HB2 LEU A 80 21.926 2.482 -0.970 1.00 0.00 H new ATOM 0 HB3 LEU A 80 21.466 1.753 -2.496 1.00 0.00 H new ATOM 0 HG LEU A 80 23.988 0.745 -1.323 1.00 0.00 H new ATOM 0 HD11 LEU A 80 22.814 -0.709 0.289 1.00 0.00 H new ATOM 0 HD12 LEU A 80 22.653 1.015 0.702 1.00 0.00 H new ATOM 0 HD13 LEU A 80 21.296 0.151 -0.059 1.00 0.00 H new ATOM 0 HD21 LEU A 80 23.055 -1.422 -2.019 1.00 0.00 H new ATOM 0 HD22 LEU A 80 21.541 -0.610 -2.485 1.00 0.00 H new ATOM 0 HD23 LEU A 80 23.054 -0.233 -3.343 1.00 0.00 H new ATOM 1055 N ASP A 81 24.151 3.795 -0.688 1.00 0.00 N ATOM 1056 CA ASP A 81 24.981 4.002 0.442 1.00 0.00 C ATOM 1057 C ASP A 81 24.048 3.790 1.617 1.00 0.00 C ATOM 1058 O ASP A 81 22.942 3.242 1.416 1.00 0.00 O ATOM 1059 CB ASP A 81 25.582 5.412 0.434 1.00 0.00 C ATOM 1060 CG ASP A 81 26.791 5.538 1.337 1.00 0.00 C ATOM 1061 OD1 ASP A 81 26.626 5.725 2.549 1.00 0.00 O ATOM 1062 OD2 ASP A 81 27.932 5.438 0.841 1.00 0.00 O ATOM 0 H ASP A 81 23.275 4.316 -0.644 1.00 0.00 H new ATOM 0 HA ASP A 81 25.839 3.330 0.471 1.00 0.00 H new ATOM 0 HB2 ASP A 81 25.866 5.676 -0.585 1.00 0.00 H new ATOM 0 HB3 ASP A 81 24.823 6.128 0.749 1.00 0.00 H new ATOM 1067 N LEU A 82 24.409 4.219 2.799 1.00 0.00 N ATOM 1068 CA LEU A 82 23.544 4.044 3.942 1.00 0.00 C ATOM 1069 C LEU A 82 22.236 4.800 3.752 1.00 0.00 C ATOM 1070 O LEU A 82 21.210 4.385 4.249 1.00 0.00 O ATOM 1071 CB LEU A 82 24.251 4.341 5.300 1.00 0.00 C ATOM 1072 CG LEU A 82 24.785 5.764 5.585 1.00 0.00 C ATOM 1073 CD1 LEU A 82 23.666 6.739 5.936 1.00 0.00 C ATOM 1074 CD2 LEU A 82 25.798 5.716 6.703 1.00 0.00 C ATOM 0 H LEU A 82 25.292 4.690 2.997 1.00 0.00 H new ATOM 0 HA LEU A 82 23.291 2.985 4.002 1.00 0.00 H new ATOM 0 HB2 LEU A 82 23.549 4.090 6.095 1.00 0.00 H new ATOM 0 HB3 LEU A 82 25.092 3.653 5.388 1.00 0.00 H new ATOM 0 HG LEU A 82 25.258 6.127 4.673 1.00 0.00 H new ATOM 0 HD11 LEU A 82 24.089 7.725 6.128 1.00 0.00 H new ATOM 0 HD12 LEU A 82 22.964 6.801 5.105 1.00 0.00 H new ATOM 0 HD13 LEU A 82 23.144 6.389 6.827 1.00 0.00 H new ATOM 0 HD21 LEU A 82 26.171 6.721 6.900 1.00 0.00 H new ATOM 0 HD22 LEU A 82 25.328 5.321 7.603 1.00 0.00 H new ATOM 0 HD23 LEU A 82 26.628 5.071 6.414 1.00 0.00 H new ATOM 1086 N LEU A 83 22.294 5.899 2.998 1.00 0.00 N ATOM 1087 CA LEU A 83 21.127 6.744 2.758 1.00 0.00 C ATOM 1088 C LEU A 83 20.035 5.998 2.030 1.00 0.00 C ATOM 1089 O LEU A 83 18.897 5.980 2.473 1.00 0.00 O ATOM 1090 CB LEU A 83 21.495 7.971 1.905 1.00 0.00 C ATOM 1091 CG LEU A 83 22.442 9.035 2.503 1.00 0.00 C ATOM 1092 CD1 LEU A 83 21.933 9.544 3.839 1.00 0.00 C ATOM 1093 CD2 LEU A 83 23.875 8.542 2.607 1.00 0.00 C ATOM 0 H LEU A 83 23.145 6.225 2.540 1.00 0.00 H new ATOM 0 HA LEU A 83 20.772 7.054 3.741 1.00 0.00 H new ATOM 0 HB2 LEU A 83 21.947 7.608 0.982 1.00 0.00 H new ATOM 0 HB3 LEU A 83 20.567 8.472 1.630 1.00 0.00 H new ATOM 0 HG LEU A 83 22.448 9.874 1.808 1.00 0.00 H new ATOM 0 HD11 LEU A 83 22.623 10.291 4.231 1.00 0.00 H new ATOM 0 HD12 LEU A 83 20.949 9.994 3.706 1.00 0.00 H new ATOM 0 HD13 LEU A 83 21.860 8.713 4.541 1.00 0.00 H new ATOM 0 HD21 LEU A 83 24.500 9.327 3.033 1.00 0.00 H new ATOM 0 HD22 LEU A 83 23.911 7.661 3.248 1.00 0.00 H new ATOM 0 HD23 LEU A 83 24.244 8.284 1.614 1.00 0.00 H new ATOM 1105 N GLU A 84 20.376 5.339 0.952 1.00 0.00 N ATOM 1106 CA GLU A 84 19.366 4.597 0.224 1.00 0.00 C ATOM 1107 C GLU A 84 18.949 3.372 0.987 1.00 0.00 C ATOM 1108 O GLU A 84 17.795 3.000 0.964 1.00 0.00 O ATOM 1109 CB GLU A 84 19.770 4.269 -1.190 1.00 0.00 C ATOM 1110 CG GLU A 84 20.035 5.478 -2.040 1.00 0.00 C ATOM 1111 CD GLU A 84 18.836 6.390 -2.231 1.00 0.00 C ATOM 1112 OE1 GLU A 84 18.065 6.183 -3.192 1.00 0.00 O ATOM 1113 OE2 GLU A 84 18.689 7.359 -1.466 1.00 0.00 O ATOM 0 H GLU A 84 21.318 5.297 0.563 1.00 0.00 H new ATOM 0 HA GLU A 84 18.500 5.253 0.134 1.00 0.00 H new ATOM 0 HB2 GLU A 84 20.666 3.649 -1.167 1.00 0.00 H new ATOM 0 HB3 GLU A 84 18.983 3.675 -1.655 1.00 0.00 H new ATOM 0 HG2 GLU A 84 20.844 6.053 -1.589 1.00 0.00 H new ATOM 0 HG3 GLU A 84 20.384 5.149 -3.019 1.00 0.00 H new ATOM 1120 N LYS A 85 19.905 2.766 1.709 1.00 0.00 N ATOM 1121 CA LYS A 85 19.621 1.620 2.566 1.00 0.00 C ATOM 1122 C LYS A 85 18.560 2.032 3.554 1.00 0.00 C ATOM 1123 O LYS A 85 17.583 1.332 3.757 1.00 0.00 O ATOM 1124 CB LYS A 85 20.880 1.180 3.329 1.00 0.00 C ATOM 1125 CG LYS A 85 20.700 -0.094 4.158 1.00 0.00 C ATOM 1126 CD LYS A 85 21.970 -0.462 4.919 1.00 0.00 C ATOM 1127 CE LYS A 85 22.230 0.455 6.111 1.00 0.00 C ATOM 1128 NZ LYS A 85 21.259 0.239 7.209 1.00 0.00 N ATOM 0 H LYS A 85 20.883 3.057 1.711 1.00 0.00 H new ATOM 0 HA LYS A 85 19.285 0.783 1.954 1.00 0.00 H new ATOM 0 HB2 LYS A 85 21.688 1.023 2.614 1.00 0.00 H new ATOM 0 HB3 LYS A 85 21.192 1.989 3.990 1.00 0.00 H new ATOM 0 HG2 LYS A 85 19.881 0.045 4.864 1.00 0.00 H new ATOM 0 HG3 LYS A 85 20.419 -0.917 3.502 1.00 0.00 H new ATOM 0 HD2 LYS A 85 21.894 -1.492 5.268 1.00 0.00 H new ATOM 0 HD3 LYS A 85 22.821 -0.418 4.240 1.00 0.00 H new ATOM 0 HE2 LYS A 85 23.240 0.285 6.484 1.00 0.00 H new ATOM 0 HE3 LYS A 85 22.181 1.494 5.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 21.486 0.872 8.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 20.298 0.443 6.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 21.311 -0.749 7.529 1.00 0.00 H new ATOM 1142 N PHE A 86 18.736 3.233 4.087 1.00 0.00 N ATOM 1143 CA PHE A 86 17.829 3.809 5.035 1.00 0.00 C ATOM 1144 C PHE A 86 16.435 3.990 4.429 1.00 0.00 C ATOM 1145 O PHE A 86 15.456 3.822 5.095 1.00 0.00 O ATOM 1146 CB PHE A 86 18.382 5.136 5.590 1.00 0.00 C ATOM 1147 CG PHE A 86 17.437 5.867 6.497 1.00 0.00 C ATOM 1148 CD1 PHE A 86 17.248 5.453 7.800 1.00 0.00 C ATOM 1149 CD2 PHE A 86 16.729 6.969 6.037 1.00 0.00 C ATOM 1150 CE1 PHE A 86 16.371 6.117 8.629 1.00 0.00 C ATOM 1151 CE2 PHE A 86 15.856 7.636 6.861 1.00 0.00 C ATOM 1152 CZ PHE A 86 15.674 7.210 8.158 1.00 0.00 C ATOM 0 H PHE A 86 19.529 3.833 3.861 1.00 0.00 H new ATOM 0 HA PHE A 86 17.732 3.117 5.871 1.00 0.00 H new ATOM 0 HB2 PHE A 86 19.305 4.933 6.134 1.00 0.00 H new ATOM 0 HB3 PHE A 86 18.641 5.786 4.754 1.00 0.00 H new ATOM 0 HD1 PHE A 86 17.794 4.599 8.174 1.00 0.00 H new ATOM 0 HD2 PHE A 86 16.866 7.305 5.020 1.00 0.00 H new ATOM 0 HE1 PHE A 86 16.229 5.782 9.646 1.00 0.00 H new ATOM 0 HE2 PHE A 86 15.313 8.494 6.492 1.00 0.00 H new ATOM 0 HZ PHE A 86 14.986 7.732 8.806 1.00 0.00 H new ATOM 1162 N ASN A 87 16.389 4.274 3.153 1.00 0.00 N ATOM 1163 CA ASN A 87 15.152 4.483 2.417 1.00 0.00 C ATOM 1164 C ASN A 87 14.454 3.171 2.198 1.00 0.00 C ATOM 1165 O ASN A 87 13.236 3.105 2.235 1.00 0.00 O ATOM 1166 CB ASN A 87 15.391 5.184 1.059 1.00 0.00 C ATOM 1167 CG ASN A 87 15.552 6.699 1.149 1.00 0.00 C ATOM 1168 OD1 ASN A 87 14.580 7.442 1.029 1.00 0.00 O ATOM 1169 ND2 ASN A 87 16.743 7.171 1.354 1.00 0.00 N ATOM 0 H ASN A 87 17.225 4.370 2.577 1.00 0.00 H new ATOM 0 HA ASN A 87 14.523 5.139 3.019 1.00 0.00 H new ATOM 0 HB2 ASN A 87 16.285 4.763 0.599 1.00 0.00 H new ATOM 0 HB3 ASN A 87 14.556 4.959 0.396 1.00 0.00 H new ATOM 0 HD21 ASN A 87 16.888 8.179 1.419 1.00 0.00 H new ATOM 0 HD22 ASN A 87 17.534 6.535 1.450 1.00 0.00 H new ATOM 1176 N PHE A 88 15.231 2.114 1.994 1.00 0.00 N ATOM 1177 CA PHE A 88 14.672 0.779 1.797 1.00 0.00 C ATOM 1178 C PHE A 88 14.112 0.315 3.085 1.00 0.00 C ATOM 1179 O PHE A 88 12.992 -0.154 3.144 1.00 0.00 O ATOM 1180 CB PHE A 88 15.716 -0.240 1.321 1.00 0.00 C ATOM 1181 CG PHE A 88 16.530 0.205 0.160 1.00 0.00 C ATOM 1182 CD1 PHE A 88 15.993 1.030 -0.815 1.00 0.00 C ATOM 1183 CD2 PHE A 88 17.854 -0.156 0.072 1.00 0.00 C ATOM 1184 CE1 PHE A 88 16.764 1.477 -1.845 1.00 0.00 C ATOM 1185 CE2 PHE A 88 18.629 0.302 -0.953 1.00 0.00 C ATOM 1186 CZ PHE A 88 18.082 1.115 -1.907 1.00 0.00 C ATOM 0 H PHE A 88 16.250 2.154 1.960 1.00 0.00 H new ATOM 0 HA PHE A 88 13.909 0.850 1.022 1.00 0.00 H new ATOM 0 HB2 PHE A 88 16.385 -0.470 2.150 1.00 0.00 H new ATOM 0 HB3 PHE A 88 15.206 -1.166 1.057 1.00 0.00 H new ATOM 0 HD1 PHE A 88 14.955 1.321 -0.758 1.00 0.00 H new ATOM 0 HD2 PHE A 88 18.283 -0.807 0.820 1.00 0.00 H new ATOM 0 HE1 PHE A 88 16.338 2.113 -2.607 1.00 0.00 H new ATOM 0 HE2 PHE A 88 19.671 0.024 -1.011 1.00 0.00 H new ATOM 0 HZ PHE A 88 18.697 1.475 -2.718 1.00 0.00 H new ATOM 1196 N GLU A 89 14.882 0.508 4.132 1.00 0.00 N ATOM 1197 CA GLU A 89 14.481 0.143 5.452 1.00 0.00 C ATOM 1198 C GLU A 89 13.311 0.988 5.855 1.00 0.00 C ATOM 1199 O GLU A 89 12.387 0.512 6.548 1.00 0.00 O ATOM 1200 CB GLU A 89 15.633 0.305 6.428 1.00 0.00 C ATOM 1201 CG GLU A 89 16.830 -0.547 6.073 1.00 0.00 C ATOM 1202 CD GLU A 89 17.939 -0.418 7.060 1.00 0.00 C ATOM 1203 OE1 GLU A 89 18.671 0.593 7.039 1.00 0.00 O ATOM 1204 OE2 GLU A 89 18.124 -1.344 7.864 1.00 0.00 O ATOM 0 H GLU A 89 15.810 0.927 4.080 1.00 0.00 H new ATOM 0 HA GLU A 89 14.188 -0.907 5.467 1.00 0.00 H new ATOM 0 HB2 GLU A 89 15.934 1.352 6.456 1.00 0.00 H new ATOM 0 HB3 GLU A 89 15.293 0.045 7.430 1.00 0.00 H new ATOM 0 HG2 GLU A 89 16.523 -1.591 6.012 1.00 0.00 H new ATOM 0 HG3 GLU A 89 17.193 -0.263 5.085 1.00 0.00 H new ATOM 1211 N ALA A 90 13.300 2.232 5.364 1.00 0.00 N ATOM 1212 CA ALA A 90 12.200 3.121 5.681 1.00 0.00 C ATOM 1213 C ALA A 90 10.943 2.628 4.997 1.00 0.00 C ATOM 1214 O ALA A 90 9.864 2.583 5.594 1.00 0.00 O ATOM 1215 CB ALA A 90 12.491 4.565 5.288 1.00 0.00 C ATOM 0 H ALA A 90 14.022 2.629 4.763 1.00 0.00 H new ATOM 0 HA ALA A 90 12.061 3.112 6.762 1.00 0.00 H new ATOM 0 HB1 ALA A 90 11.637 5.191 5.546 1.00 0.00 H new ATOM 0 HB2 ALA A 90 13.374 4.917 5.822 1.00 0.00 H new ATOM 0 HB3 ALA A 90 12.671 4.621 4.214 1.00 0.00 H new ATOM 1221 N ALA A 91 11.099 2.219 3.758 1.00 0.00 N ATOM 1222 CA ALA A 91 10.018 1.702 2.962 1.00 0.00 C ATOM 1223 C ALA A 91 9.494 0.408 3.516 1.00 0.00 C ATOM 1224 O ALA A 91 8.305 0.230 3.601 1.00 0.00 O ATOM 1225 CB ALA A 91 10.452 1.518 1.539 1.00 0.00 C ATOM 0 H ALA A 91 11.995 2.238 3.271 1.00 0.00 H new ATOM 0 HA ALA A 91 9.209 2.432 2.994 1.00 0.00 H new ATOM 0 HB1 ALA A 91 9.621 1.126 0.953 1.00 0.00 H new ATOM 0 HB2 ALA A 91 10.766 2.477 1.127 1.00 0.00 H new ATOM 0 HB3 ALA A 91 11.285 0.817 1.501 1.00 0.00 H new ATOM 1231 N LEU A 92 10.381 -0.478 3.924 1.00 0.00 N ATOM 1232 CA LEU A 92 9.972 -1.770 4.472 1.00 0.00 C ATOM 1233 C LEU A 92 9.086 -1.563 5.681 1.00 0.00 C ATOM 1234 O LEU A 92 8.067 -2.234 5.835 1.00 0.00 O ATOM 1235 CB LEU A 92 11.176 -2.649 4.853 1.00 0.00 C ATOM 1236 CG LEU A 92 12.206 -2.960 3.757 1.00 0.00 C ATOM 1237 CD1 LEU A 92 13.313 -3.847 4.297 1.00 0.00 C ATOM 1238 CD2 LEU A 92 11.554 -3.598 2.546 1.00 0.00 C ATOM 0 H LEU A 92 11.390 -0.334 3.889 1.00 0.00 H new ATOM 0 HA LEU A 92 9.418 -2.292 3.692 1.00 0.00 H new ATOM 0 HB2 LEU A 92 11.699 -2.163 5.677 1.00 0.00 H new ATOM 0 HB3 LEU A 92 10.793 -3.596 5.233 1.00 0.00 H new ATOM 0 HG LEU A 92 12.644 -2.014 3.438 1.00 0.00 H new ATOM 0 HD11 LEU A 92 14.032 -4.055 3.504 1.00 0.00 H new ATOM 0 HD12 LEU A 92 13.817 -3.340 5.120 1.00 0.00 H new ATOM 0 HD13 LEU A 92 12.886 -4.784 4.655 1.00 0.00 H new ATOM 0 HD21 LEU A 92 12.312 -3.804 1.791 1.00 0.00 H new ATOM 0 HD22 LEU A 92 11.073 -4.530 2.841 1.00 0.00 H new ATOM 0 HD23 LEU A 92 10.808 -2.919 2.134 1.00 0.00 H new ATOM 1250 N ALA A 93 9.439 -0.587 6.489 1.00 0.00 N ATOM 1251 CA ALA A 93 8.673 -0.290 7.666 1.00 0.00 C ATOM 1252 C ALA A 93 7.366 0.385 7.302 1.00 0.00 C ATOM 1253 O ALA A 93 6.324 0.090 7.901 1.00 0.00 O ATOM 1254 CB ALA A 93 9.477 0.541 8.652 1.00 0.00 C ATOM 0 H ALA A 93 10.253 0.011 6.347 1.00 0.00 H new ATOM 0 HA ALA A 93 8.433 -1.232 8.159 1.00 0.00 H new ATOM 0 HB1 ALA A 93 8.869 0.749 9.533 1.00 0.00 H new ATOM 0 HB2 ALA A 93 10.370 -0.010 8.949 1.00 0.00 H new ATOM 0 HB3 ALA A 93 9.770 1.480 8.183 1.00 0.00 H new ATOM 1260 N THR A 94 7.407 1.216 6.268 1.00 0.00 N ATOM 1261 CA THR A 94 6.258 1.956 5.854 1.00 0.00 C ATOM 1262 C THR A 94 5.235 1.009 5.257 1.00 0.00 C ATOM 1263 O THR A 94 4.057 1.022 5.635 1.00 0.00 O ATOM 1264 CB THR A 94 6.643 3.063 4.838 1.00 0.00 C ATOM 1265 OG1 THR A 94 7.605 3.945 5.444 1.00 0.00 O ATOM 1266 CG2 THR A 94 5.425 3.872 4.406 1.00 0.00 C ATOM 0 H THR A 94 8.241 1.384 5.706 1.00 0.00 H new ATOM 0 HA THR A 94 5.824 2.448 6.724 1.00 0.00 H new ATOM 0 HB THR A 94 7.065 2.584 3.954 1.00 0.00 H new ATOM 0 HG1 THR A 94 8.381 3.427 5.743 1.00 0.00 H new ATOM 0 HG21 THR A 94 5.731 4.639 3.694 1.00 0.00 H new ATOM 0 HG22 THR A 94 4.697 3.211 3.936 1.00 0.00 H new ATOM 0 HG23 THR A 94 4.975 4.346 5.278 1.00 0.00 H new ATOM 1274 N GLY A 95 5.725 0.128 4.410 1.00 0.00 N ATOM 1275 CA GLY A 95 4.886 -0.778 3.719 1.00 0.00 C ATOM 1276 C GLY A 95 4.267 -1.764 4.634 1.00 0.00 C ATOM 1277 O GLY A 95 3.136 -2.115 4.459 1.00 0.00 O ATOM 0 H GLY A 95 6.717 0.034 4.194 1.00 0.00 H new ATOM 0 HA2 GLY A 95 4.104 -0.224 3.199 1.00 0.00 H new ATOM 0 HA3 GLY A 95 5.465 -1.302 2.959 1.00 0.00 H new ATOM 1281 N ASP A 96 5.002 -2.183 5.640 1.00 0.00 N ATOM 1282 CA ASP A 96 4.507 -3.197 6.551 1.00 0.00 C ATOM 1283 C ASP A 96 3.397 -2.667 7.444 1.00 0.00 C ATOM 1284 O ASP A 96 2.375 -3.328 7.619 1.00 0.00 O ATOM 1285 CB ASP A 96 5.624 -3.784 7.399 1.00 0.00 C ATOM 1286 CG ASP A 96 5.181 -5.040 8.099 1.00 0.00 C ATOM 1287 OD1 ASP A 96 5.182 -6.119 7.452 1.00 0.00 O ATOM 1288 OD2 ASP A 96 4.819 -4.992 9.289 1.00 0.00 O ATOM 0 H ASP A 96 5.940 -1.841 5.849 1.00 0.00 H new ATOM 0 HA ASP A 96 4.092 -3.991 5.930 1.00 0.00 H new ATOM 0 HB2 ASP A 96 6.485 -4.002 6.768 1.00 0.00 H new ATOM 0 HB3 ASP A 96 5.947 -3.049 8.137 1.00 0.00 H new ATOM 1293 N LEU A 97 3.570 -1.456 7.963 1.00 0.00 N ATOM 1294 CA LEU A 97 2.582 -0.883 8.886 1.00 0.00 C ATOM 1295 C LEU A 97 1.276 -0.637 8.158 1.00 0.00 C ATOM 1296 O LEU A 97 0.207 -1.002 8.637 1.00 0.00 O ATOM 1297 CB LEU A 97 3.110 0.419 9.552 1.00 0.00 C ATOM 1298 CG LEU A 97 3.160 1.691 8.684 1.00 0.00 C ATOM 1299 CD1 LEU A 97 1.932 2.577 8.887 1.00 0.00 C ATOM 1300 CD2 LEU A 97 4.417 2.452 8.917 1.00 0.00 C ATOM 0 H LEU A 97 4.371 -0.855 7.768 1.00 0.00 H new ATOM 0 HA LEU A 97 2.405 -1.600 9.687 1.00 0.00 H new ATOM 0 HB2 LEU A 97 2.487 0.629 10.421 1.00 0.00 H new ATOM 0 HB3 LEU A 97 4.117 0.224 9.921 1.00 0.00 H new ATOM 0 HG LEU A 97 3.149 1.367 7.643 1.00 0.00 H new ATOM 0 HD11 LEU A 97 2.013 3.461 8.254 1.00 0.00 H new ATOM 0 HD12 LEU A 97 1.034 2.020 8.620 1.00 0.00 H new ATOM 0 HD13 LEU A 97 1.872 2.883 9.932 1.00 0.00 H new ATOM 0 HD21 LEU A 97 4.424 3.344 8.291 1.00 0.00 H new ATOM 0 HD22 LEU A 97 4.476 2.744 9.965 1.00 0.00 H new ATOM 0 HD23 LEU A 97 5.273 1.826 8.666 1.00 0.00 H new ATOM 1312 N LEU A 98 1.373 -0.052 6.970 1.00 0.00 N ATOM 1313 CA LEU A 98 0.208 0.240 6.188 1.00 0.00 C ATOM 1314 C LEU A 98 -0.384 -1.040 5.657 1.00 0.00 C ATOM 1315 O LEU A 98 -1.541 -1.088 5.374 1.00 0.00 O ATOM 1316 CB LEU A 98 0.475 1.272 5.071 1.00 0.00 C ATOM 1317 CG LEU A 98 1.279 0.794 3.870 1.00 0.00 C ATOM 1318 CD1 LEU A 98 0.383 0.175 2.801 1.00 0.00 C ATOM 1319 CD2 LEU A 98 2.145 1.893 3.293 1.00 0.00 C ATOM 0 H LEU A 98 2.255 0.225 6.538 1.00 0.00 H new ATOM 0 HA LEU A 98 -0.523 0.715 6.842 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -0.486 1.639 4.711 1.00 0.00 H new ATOM 0 HB3 LEU A 98 0.996 2.122 5.512 1.00 0.00 H new ATOM 0 HG LEU A 98 1.948 0.013 4.231 1.00 0.00 H new ATOM 0 HD11 LEU A 98 0.994 -0.154 1.960 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -0.147 -0.680 3.221 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -0.339 0.916 2.457 1.00 0.00 H new ATOM 0 HD21 LEU A 98 2.701 1.507 2.438 1.00 0.00 H new ATOM 0 HD22 LEU A 98 1.515 2.722 2.972 1.00 0.00 H new ATOM 0 HD23 LEU A 98 2.844 2.242 4.053 1.00 0.00 H new ATOM 1331 N LEU A 99 0.444 -2.077 5.499 1.00 0.00 N ATOM 1332 CA LEU A 99 -0.028 -3.331 4.970 1.00 0.00 C ATOM 1333 C LEU A 99 -0.960 -3.939 6.004 1.00 0.00 C ATOM 1334 O LEU A 99 -2.030 -4.466 5.677 1.00 0.00 O ATOM 1335 CB LEU A 99 1.150 -4.275 4.614 1.00 0.00 C ATOM 1336 CG LEU A 99 0.894 -5.441 3.625 1.00 0.00 C ATOM 1337 CD1 LEU A 99 2.211 -6.073 3.225 1.00 0.00 C ATOM 1338 CD2 LEU A 99 -0.002 -6.506 4.216 1.00 0.00 C ATOM 0 H LEU A 99 1.437 -2.060 5.733 1.00 0.00 H new ATOM 0 HA LEU A 99 -0.568 -3.173 4.037 1.00 0.00 H new ATOM 0 HB2 LEU A 99 1.952 -3.662 4.203 1.00 0.00 H new ATOM 0 HB3 LEU A 99 1.522 -4.705 5.544 1.00 0.00 H new ATOM 0 HG LEU A 99 0.391 -5.020 2.754 1.00 0.00 H new ATOM 0 HD11 LEU A 99 2.025 -6.892 2.530 1.00 0.00 H new ATOM 0 HD12 LEU A 99 2.842 -5.325 2.745 1.00 0.00 H new ATOM 0 HD13 LEU A 99 2.714 -6.457 4.112 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.152 -7.301 3.486 1.00 0.00 H new ATOM 0 HD22 LEU A 99 0.464 -6.918 5.111 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -0.965 -6.067 4.478 1.00 0.00 H new ATOM 1350 N LYS A 100 -0.575 -3.806 7.269 1.00 0.00 N ATOM 1351 CA LYS A 100 -1.424 -4.223 8.352 1.00 0.00 C ATOM 1352 C LYS A 100 -2.657 -3.349 8.378 1.00 0.00 C ATOM 1353 O LYS A 100 -3.762 -3.817 8.694 1.00 0.00 O ATOM 1354 CB LYS A 100 -0.739 -4.154 9.731 1.00 0.00 C ATOM 1355 CG LYS A 100 -0.006 -5.410 10.220 1.00 0.00 C ATOM 1356 CD LYS A 100 1.275 -5.731 9.470 1.00 0.00 C ATOM 1357 CE LYS A 100 1.991 -6.890 10.163 1.00 0.00 C ATOM 1358 NZ LYS A 100 3.298 -7.209 9.562 1.00 0.00 N ATOM 0 H LYS A 100 0.320 -3.412 7.558 1.00 0.00 H new ATOM 0 HA LYS A 100 -1.675 -5.268 8.170 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -0.023 -3.333 9.710 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -1.497 -3.897 10.471 1.00 0.00 H new ATOM 0 HG2 LYS A 100 0.229 -5.288 11.277 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -0.681 -6.262 10.140 1.00 0.00 H new ATOM 0 HD2 LYS A 100 1.048 -5.994 8.437 1.00 0.00 H new ATOM 0 HD3 LYS A 100 1.922 -4.854 9.441 1.00 0.00 H new ATOM 0 HE2 LYS A 100 2.133 -6.643 11.215 1.00 0.00 H new ATOM 0 HE3 LYS A 100 1.356 -7.775 10.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 3.663 -8.092 9.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 3.189 -7.324 8.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 3.967 -6.436 9.755 1.00 0.00 H new ATOM 1372 N ASP A 101 -2.473 -2.086 8.003 1.00 0.00 N ATOM 1373 CA ASP A 101 -3.555 -1.123 8.043 1.00 0.00 C ATOM 1374 C ASP A 101 -4.567 -1.401 6.929 1.00 0.00 C ATOM 1375 O ASP A 101 -5.779 -1.256 7.128 1.00 0.00 O ATOM 1376 CB ASP A 101 -3.016 0.305 7.968 1.00 0.00 C ATOM 1377 CG ASP A 101 -4.090 1.351 8.102 1.00 0.00 C ATOM 1378 OD1 ASP A 101 -4.650 1.513 9.207 1.00 0.00 O ATOM 1379 OD2 ASP A 101 -4.387 2.035 7.124 1.00 0.00 O ATOM 0 H ASP A 101 -1.585 -1.712 7.670 1.00 0.00 H new ATOM 0 HA ASP A 101 -4.074 -1.227 8.996 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -2.277 0.449 8.756 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -2.500 0.443 7.018 1.00 0.00 H new ATOM 1384 N LEU A 102 -4.054 -1.850 5.777 1.00 0.00 N ATOM 1385 CA LEU A 102 -4.861 -2.240 4.629 1.00 0.00 C ATOM 1386 C LEU A 102 -5.762 -3.377 5.008 1.00 0.00 C ATOM 1387 O LEU A 102 -6.958 -3.332 4.763 1.00 0.00 O ATOM 1388 CB LEU A 102 -3.986 -2.678 3.435 1.00 0.00 C ATOM 1389 CG LEU A 102 -3.103 -1.613 2.767 1.00 0.00 C ATOM 1390 CD1 LEU A 102 -2.251 -2.250 1.679 1.00 0.00 C ATOM 1391 CD2 LEU A 102 -3.951 -0.498 2.171 1.00 0.00 C ATOM 0 H LEU A 102 -3.051 -1.952 5.620 1.00 0.00 H new ATOM 0 HA LEU A 102 -5.445 -1.370 4.328 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -3.338 -3.487 3.773 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -4.644 -3.094 2.672 1.00 0.00 H new ATOM 0 HG LEU A 102 -2.454 -1.182 3.529 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -1.628 -1.487 1.211 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -1.615 -3.018 2.118 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -2.899 -2.701 0.927 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -3.302 0.243 1.704 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -4.624 -0.914 1.422 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -4.535 -0.023 2.960 1.00 0.00 H new ATOM 1403 N LYS A 103 -5.191 -4.387 5.649 1.00 0.00 N ATOM 1404 CA LYS A 103 -5.959 -5.538 6.062 1.00 0.00 C ATOM 1405 C LYS A 103 -6.988 -5.168 7.135 1.00 0.00 C ATOM 1406 O LYS A 103 -8.111 -5.689 7.131 1.00 0.00 O ATOM 1407 CB LYS A 103 -5.054 -6.662 6.552 1.00 0.00 C ATOM 1408 CG LYS A 103 -4.103 -7.214 5.498 1.00 0.00 C ATOM 1409 CD LYS A 103 -3.362 -8.436 6.021 1.00 0.00 C ATOM 1410 CE LYS A 103 -2.345 -8.990 5.014 1.00 0.00 C ATOM 1411 NZ LYS A 103 -2.943 -9.313 3.701 1.00 0.00 N ATOM 0 H LYS A 103 -4.201 -4.427 5.891 1.00 0.00 H new ATOM 0 HA LYS A 103 -6.500 -5.896 5.186 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -4.468 -6.298 7.396 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -5.676 -7.476 6.924 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -4.663 -7.479 4.601 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -3.386 -6.445 5.211 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -2.846 -8.175 6.945 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -4.083 -9.215 6.268 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -1.548 -8.260 4.873 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -1.886 -9.888 5.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -2.379 -10.052 3.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -3.916 -9.655 3.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -2.956 -8.460 3.106 1.00 0.00 H new ATOM 1425 N ALA A 104 -6.628 -4.233 8.003 1.00 0.00 N ATOM 1426 CA ALA A 104 -7.494 -3.797 9.080 1.00 0.00 C ATOM 1427 C ALA A 104 -8.661 -3.017 8.516 1.00 0.00 C ATOM 1428 O ALA A 104 -9.829 -3.262 8.864 1.00 0.00 O ATOM 1429 CB ALA A 104 -6.710 -2.955 10.077 1.00 0.00 C ATOM 0 H ALA A 104 -5.726 -3.757 7.977 1.00 0.00 H new ATOM 0 HA ALA A 104 -7.882 -4.670 9.604 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -7.372 -2.633 10.881 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -5.895 -3.548 10.493 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -6.301 -2.080 9.572 1.00 0.00 H new ATOM 1435 N LEU A 105 -8.358 -2.135 7.575 1.00 0.00 N ATOM 1436 CA LEU A 105 -9.374 -1.329 6.973 1.00 0.00 C ATOM 1437 C LEU A 105 -10.233 -2.217 6.119 1.00 0.00 C ATOM 1438 O LEU A 105 -11.387 -1.984 5.995 1.00 0.00 O ATOM 1439 CB LEU A 105 -8.817 -0.110 6.182 1.00 0.00 C ATOM 1440 CG LEU A 105 -8.403 -0.328 4.721 1.00 0.00 C ATOM 1441 CD1 LEU A 105 -9.553 -0.008 3.764 1.00 0.00 C ATOM 1442 CD2 LEU A 105 -7.166 0.470 4.376 1.00 0.00 C ATOM 0 H LEU A 105 -7.415 -1.970 7.222 1.00 0.00 H new ATOM 0 HA LEU A 105 -9.974 -0.880 7.765 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -9.574 0.674 6.201 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -7.950 0.270 6.722 1.00 0.00 H new ATOM 0 HG LEU A 105 -8.159 -1.384 4.603 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -9.228 -0.172 2.737 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -10.401 -0.656 3.984 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -9.851 1.033 3.888 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -6.898 0.294 3.334 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -7.364 1.531 4.525 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -6.342 0.161 5.019 1.00 0.00 H new ATOM 1454 N GLN A 106 -9.626 -3.243 5.523 1.00 0.00 N ATOM 1455 CA GLN A 106 -10.333 -4.188 4.696 1.00 0.00 C ATOM 1456 C GLN A 106 -11.412 -4.867 5.477 1.00 0.00 C ATOM 1457 O GLN A 106 -12.504 -4.948 5.011 1.00 0.00 O ATOM 1458 CB GLN A 106 -9.388 -5.213 4.087 1.00 0.00 C ATOM 1459 CG GLN A 106 -10.074 -6.243 3.217 1.00 0.00 C ATOM 1460 CD GLN A 106 -9.122 -7.284 2.701 1.00 0.00 C ATOM 1461 OE1 GLN A 106 -8.119 -7.603 3.349 1.00 0.00 O ATOM 1462 NE2 GLN A 106 -9.426 -7.845 1.570 1.00 0.00 N ATOM 0 H GLN A 106 -8.627 -3.432 5.608 1.00 0.00 H new ATOM 0 HA GLN A 106 -10.792 -3.633 3.878 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -8.638 -4.692 3.492 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -8.858 -5.726 4.890 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -10.864 -6.729 3.789 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -10.552 -5.743 2.375 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -10.263 -7.554 1.065 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -8.828 -8.577 1.187 1.00 0.00 H new ATOM 1471 N LYS A 107 -11.106 -5.324 6.677 1.00 0.00 N ATOM 1472 CA LYS A 107 -12.131 -5.948 7.520 1.00 0.00 C ATOM 1473 C LYS A 107 -13.210 -4.938 7.857 1.00 0.00 C ATOM 1474 O LYS A 107 -14.379 -5.260 7.871 1.00 0.00 O ATOM 1475 CB LYS A 107 -11.554 -6.523 8.826 1.00 0.00 C ATOM 1476 CG LYS A 107 -11.057 -7.987 8.828 1.00 0.00 C ATOM 1477 CD LYS A 107 -9.833 -8.284 7.964 1.00 0.00 C ATOM 1478 CE LYS A 107 -10.160 -8.498 6.493 1.00 0.00 C ATOM 1479 NZ LYS A 107 -8.955 -8.885 5.729 1.00 0.00 N ATOM 0 H LYS A 107 -10.175 -5.281 7.092 1.00 0.00 H new ATOM 0 HA LYS A 107 -12.549 -6.776 6.948 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -10.720 -5.889 9.128 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -12.320 -6.431 9.596 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -10.828 -8.270 9.855 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -11.874 -8.627 8.496 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -9.127 -7.458 8.054 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -9.334 -9.173 8.349 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -10.920 -9.273 6.396 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -10.581 -7.584 6.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -8.766 -8.173 4.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -8.140 -8.944 6.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -9.110 -9.811 5.281 1.00 0.00 H new ATOM 1493 N ARG A 108 -12.797 -3.715 8.072 1.00 0.00 N ATOM 1494 CA ARG A 108 -13.691 -2.645 8.428 1.00 0.00 C ATOM 1495 C ARG A 108 -14.595 -2.295 7.268 1.00 0.00 C ATOM 1496 O ARG A 108 -15.777 -2.078 7.450 1.00 0.00 O ATOM 1497 CB ARG A 108 -12.922 -1.423 8.917 1.00 0.00 C ATOM 1498 CG ARG A 108 -13.814 -0.261 9.298 1.00 0.00 C ATOM 1499 CD ARG A 108 -13.007 0.932 9.726 1.00 0.00 C ATOM 1500 NE ARG A 108 -13.858 2.093 9.946 1.00 0.00 N ATOM 1501 CZ ARG A 108 -13.435 3.358 9.925 1.00 0.00 C ATOM 1502 NH1 ARG A 108 -12.131 3.632 9.786 1.00 0.00 N ATOM 1503 NH2 ARG A 108 -14.310 4.344 10.048 1.00 0.00 N ATOM 0 H ARG A 108 -11.819 -3.432 8.004 1.00 0.00 H new ATOM 0 HA ARG A 108 -14.317 -2.989 9.251 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -12.318 -1.705 9.779 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -12.233 -1.101 8.136 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -14.444 0.009 8.451 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -14.480 -0.561 10.107 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -12.464 0.697 10.642 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -12.262 1.163 8.964 1.00 0.00 H new ATOM 0 HE ARG A 108 -14.848 1.927 10.129 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -11.457 2.872 9.696 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -11.812 4.601 9.770 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -15.302 4.135 10.158 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -13.992 5.313 10.033 1.00 0.00 H new ATOM 1517 N VAL A 109 -14.033 -2.226 6.089 1.00 0.00 N ATOM 1518 CA VAL A 109 -14.798 -1.948 4.905 1.00 0.00 C ATOM 1519 C VAL A 109 -15.675 -3.144 4.535 1.00 0.00 C ATOM 1520 O VAL A 109 -16.821 -2.985 4.123 1.00 0.00 O ATOM 1521 CB VAL A 109 -13.914 -1.495 3.714 1.00 0.00 C ATOM 1522 CG1 VAL A 109 -14.749 -1.274 2.458 1.00 0.00 C ATOM 1523 CG2 VAL A 109 -13.176 -0.216 4.071 1.00 0.00 C ATOM 0 H VAL A 109 -13.035 -2.361 5.925 1.00 0.00 H new ATOM 0 HA VAL A 109 -15.450 -1.105 5.134 1.00 0.00 H new ATOM 0 HB VAL A 109 -13.194 -2.287 3.510 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -14.101 -0.957 1.641 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -15.249 -2.203 2.185 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -15.496 -0.503 2.648 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -12.558 0.095 3.229 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -13.897 0.568 4.300 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -12.543 -0.392 4.940 1.00 0.00 H new ATOM 1533 N GLN A 110 -15.116 -4.328 4.696 1.00 0.00 N ATOM 1534 CA GLN A 110 -15.795 -5.572 4.439 1.00 0.00 C ATOM 1535 C GLN A 110 -17.012 -5.669 5.322 1.00 0.00 C ATOM 1536 O GLN A 110 -18.118 -5.959 4.860 1.00 0.00 O ATOM 1537 CB GLN A 110 -14.843 -6.728 4.750 1.00 0.00 C ATOM 1538 CG GLN A 110 -15.402 -8.112 4.554 1.00 0.00 C ATOM 1539 CD GLN A 110 -15.789 -8.406 3.113 1.00 0.00 C ATOM 1540 OE1 GLN A 110 -16.929 -8.177 2.688 1.00 0.00 O ATOM 1541 NE2 GLN A 110 -14.846 -8.892 2.348 1.00 0.00 N ATOM 0 H GLN A 110 -14.155 -4.448 5.017 1.00 0.00 H new ATOM 0 HA GLN A 110 -16.104 -5.619 3.395 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -13.958 -6.623 4.123 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -14.514 -6.633 5.785 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -14.664 -8.844 4.881 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -16.278 -8.236 5.191 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -13.918 -9.068 2.732 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -15.039 -9.095 1.367 1.00 0.00 H new ATOM 1550 N ASP A 111 -16.819 -5.367 6.581 1.00 0.00 N ATOM 1551 CA ASP A 111 -17.884 -5.468 7.525 1.00 0.00 C ATOM 1552 C ASP A 111 -18.837 -4.296 7.342 1.00 0.00 C ATOM 1553 O ASP A 111 -20.024 -4.486 7.101 1.00 0.00 O ATOM 1554 CB ASP A 111 -17.321 -5.508 8.945 1.00 0.00 C ATOM 1555 CG ASP A 111 -18.358 -5.751 10.003 1.00 0.00 C ATOM 1556 OD1 ASP A 111 -18.700 -6.919 10.252 1.00 0.00 O ATOM 1557 OD2 ASP A 111 -18.795 -4.797 10.657 1.00 0.00 O ATOM 0 H ASP A 111 -15.931 -5.050 6.969 1.00 0.00 H new ATOM 0 HA ASP A 111 -18.438 -6.392 7.358 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -16.565 -6.291 9.004 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -16.818 -4.564 9.153 1.00 0.00 H new ATOM 1562 N SER A 112 -18.246 -3.105 7.318 1.00 0.00 N ATOM 1563 CA SER A 112 -18.849 -1.764 7.113 1.00 0.00 C ATOM 1564 C SER A 112 -20.074 -1.388 7.957 1.00 0.00 C ATOM 1565 O SER A 112 -20.133 -0.299 8.510 1.00 0.00 O ATOM 1566 CB SER A 112 -19.058 -1.460 5.623 1.00 0.00 C ATOM 1567 OG SER A 112 -19.714 -2.536 4.954 1.00 0.00 O ATOM 0 H SER A 112 -17.238 -3.032 7.453 1.00 0.00 H new ATOM 0 HA SER A 112 -18.087 -1.100 7.521 1.00 0.00 H new ATOM 0 HB2 SER A 112 -19.649 -0.550 5.516 1.00 0.00 H new ATOM 0 HB3 SER A 112 -18.094 -1.271 5.151 1.00 0.00 H new ATOM 0 HG SER A 112 -19.052 -3.071 4.468 1.00 0.00 H new ATOM 1573 N GLU A 113 -21.002 -2.257 8.057 1.00 0.00 N ATOM 1574 CA GLU A 113 -22.250 -1.976 8.697 1.00 0.00 C ATOM 1575 C GLU A 113 -22.350 -2.781 9.972 1.00 0.00 C ATOM 1576 O GLU A 113 -21.912 -2.298 11.016 1.00 0.00 O ATOM 1577 CB GLU A 113 -23.374 -2.330 7.730 1.00 0.00 C ATOM 1578 CG GLU A 113 -23.172 -1.714 6.352 1.00 0.00 C ATOM 1579 CD GLU A 113 -24.119 -2.235 5.323 1.00 0.00 C ATOM 1580 OE1 GLU A 113 -23.983 -3.419 4.924 1.00 0.00 O ATOM 1581 OE2 GLU A 113 -24.966 -1.466 4.844 1.00 0.00 O ATOM 1582 OXT GLU A 113 -22.838 -3.932 9.933 1.00 0.00 O ATOM 0 H GLU A 113 -20.926 -3.207 7.693 1.00 0.00 H new ATOM 0 HA GLU A 113 -22.326 -0.921 8.958 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -23.439 -3.414 7.634 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -24.324 -1.989 8.141 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -23.287 -0.633 6.426 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -22.150 -1.904 6.024 1.00 0.00 H new TER 1589 GLU A 113