USER MOD reduce.3.24.130724 H: found=0, std=0, add=788, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 786 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 25 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 36 HIS :FLIP no HE2:sc= -14.1! C(o=-16!,f=-14!) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot -61:sc= 0.368 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= -0.0158 X(o=-0.016,f=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.107) USER MOD Single : A 24 LYS NZ :NH3+ 137:sc= 0.269 (180deg=-0.683) USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.894! USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.397 X(o=-0.4,f=-0.31) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= -2.67! C(o=-2.7!,f=-9.3!) USER MOD Single : A 45 CYS SG : rot 23:sc= 1.14 USER MOD Single : A 50 HIS : no HD1:sc= -0.404 X(o=-0.4,f=-0.71) USER MOD Single : A 51 ASN :FLIP amide:sc= -0.673 F(o=-2.9,f=-0.67) USER MOD Single : A 61 SER OG : rot 180:sc= -0.473 USER MOD Single : A 63 THR OG1 : rot -146:sc= -2.98 USER MOD Single : A 74 HIS : no HE2:sc= -19.6! C(o=-20!,f=-22!) USER MOD Single : A 75 LYS NZ :NH3+ -103:sc= -0.117 (180deg=-1.13) USER MOD Single : A 79 ASN : amide:sc= 0.69 K(o=0.69,f=-3!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 180:sc=0.000921 USER MOD Single : A 94 ASN : amide:sc= -0.0112 X(o=-0.011,f=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 HIS : no HD1:sc= -12.1! C(o=-12!,f=-13!) USER MOD Single : A 101 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 53 N LEU A 5 -10.543 17.044 26.438 1.00 0.00 N ATOM 54 CA LEU A 5 -9.433 17.073 25.501 1.00 0.00 C ATOM 55 C LEU A 5 -8.195 17.636 26.201 1.00 0.00 C ATOM 56 O LEU A 5 -7.155 17.826 25.573 1.00 0.00 O ATOM 57 CB LEU A 5 -9.822 17.835 24.233 1.00 0.00 C ATOM 58 CG LEU A 5 -11.285 17.713 23.799 1.00 0.00 C ATOM 59 CD1 LEU A 5 -11.797 19.033 23.221 1.00 0.00 C ATOM 60 CD2 LEU A 5 -11.471 16.549 22.823 1.00 0.00 C ATOM 0 HA LEU A 5 -9.184 16.063 25.175 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -9.595 18.890 24.383 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -9.191 17.486 23.415 1.00 0.00 H new ATOM 0 HG LEU A 5 -11.887 17.493 24.681 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -12.839 18.919 22.921 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -11.721 19.815 23.977 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -11.197 19.307 22.353 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -12.519 16.484 22.530 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -10.856 16.714 21.938 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -11.170 15.619 23.305 1.00 0.00 H new ATOM 72 N VAL A 6 -8.348 17.887 27.493 1.00 0.00 N ATOM 73 CA VAL A 6 -7.255 18.425 28.286 1.00 0.00 C ATOM 74 C VAL A 6 -7.135 17.629 29.587 1.00 0.00 C ATOM 75 O VAL A 6 -7.513 16.460 29.641 1.00 0.00 O ATOM 76 CB VAL A 6 -7.465 19.923 28.518 1.00 0.00 C ATOM 77 CG1 VAL A 6 -6.125 20.650 28.647 1.00 0.00 C ATOM 78 CG2 VAL A 6 -8.316 20.536 27.405 1.00 0.00 C ATOM 0 H VAL A 6 -9.212 17.728 28.011 1.00 0.00 H new ATOM 0 HA VAL A 6 -6.309 18.322 27.754 1.00 0.00 H new ATOM 0 HB VAL A 6 -8.004 20.045 29.457 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -6.302 21.713 28.811 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -5.568 20.240 29.490 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -5.548 20.515 27.732 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -8.450 21.601 27.594 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -7.816 20.398 26.446 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -9.290 20.047 27.380 1.00 0.00 H new ATOM 88 N LYS A 7 -6.607 18.295 30.604 1.00 0.00 N ATOM 89 CA LYS A 7 -6.433 17.664 31.901 1.00 0.00 C ATOM 90 C LYS A 7 -5.998 16.211 31.703 1.00 0.00 C ATOM 91 O LYS A 7 -6.271 15.357 32.545 1.00 0.00 O ATOM 92 CB LYS A 7 -7.699 17.818 32.746 1.00 0.00 C ATOM 93 CG LYS A 7 -8.855 17.009 32.153 1.00 0.00 C ATOM 94 CD LYS A 7 -9.662 17.850 31.163 1.00 0.00 C ATOM 95 CE LYS A 7 -10.858 18.511 31.851 1.00 0.00 C ATOM 96 NZ LYS A 7 -11.040 19.895 31.359 1.00 0.00 N ATOM 0 H LYS A 7 -6.294 19.265 30.556 1.00 0.00 H new ATOM 0 HA LYS A 7 -5.641 18.160 32.462 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -7.503 17.486 33.765 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -7.978 18.870 32.802 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -8.464 16.125 31.650 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -9.507 16.659 32.954 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -9.022 18.615 30.724 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -10.011 17.220 30.345 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -11.761 17.930 31.662 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -10.705 18.520 32.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -11.856 20.329 31.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -10.185 20.451 31.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -11.208 19.879 30.333 1.00 0.00 H new ATOM 110 N GLY A 8 -5.328 15.975 30.584 1.00 0.00 N ATOM 111 CA GLY A 8 -4.853 14.639 30.264 1.00 0.00 C ATOM 112 C GLY A 8 -5.712 13.998 29.173 1.00 0.00 C ATOM 113 O GLY A 8 -6.489 13.084 29.447 1.00 0.00 O ATOM 0 H GLY A 8 -5.103 16.686 29.888 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -3.816 14.688 29.933 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -4.873 14.018 31.159 1.00 0.00 H new ATOM 117 N PRO A 9 -5.540 14.515 27.927 1.00 0.00 N ATOM 118 CA PRO A 9 -6.290 14.003 26.794 1.00 0.00 C ATOM 119 C PRO A 9 -5.745 12.646 26.343 1.00 0.00 C ATOM 120 O PRO A 9 -5.101 11.944 27.120 1.00 0.00 O ATOM 121 CB PRO A 9 -6.169 15.077 25.724 1.00 0.00 C ATOM 122 CG PRO A 9 -4.978 15.932 26.125 1.00 0.00 C ATOM 123 CD PRO A 9 -4.629 15.598 27.566 1.00 0.00 C ATOM 0 HA PRO A 9 -7.336 13.814 27.034 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -6.017 14.633 24.740 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -7.078 15.676 25.667 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -4.129 15.734 25.471 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -5.217 16.991 26.026 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -3.588 15.288 27.660 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -4.764 16.462 28.217 1.00 0.00 H new ATOM 131 N TRP A 10 -6.025 12.319 25.090 1.00 0.00 N ATOM 132 CA TRP A 10 -5.571 11.058 24.527 1.00 0.00 C ATOM 133 C TRP A 10 -4.093 11.209 24.161 1.00 0.00 C ATOM 134 O TRP A 10 -3.222 10.678 24.849 1.00 0.00 O ATOM 135 CB TRP A 10 -6.441 10.643 23.340 1.00 0.00 C ATOM 136 CG TRP A 10 -7.849 10.186 23.729 1.00 0.00 C ATOM 137 CD1 TRP A 10 -8.667 10.724 24.643 1.00 0.00 C ATOM 138 CD2 TRP A 10 -8.574 9.068 23.175 1.00 0.00 C ATOM 139 NE1 TRP A 10 -9.862 10.038 24.719 1.00 0.00 N ATOM 140 CE2 TRP A 10 -9.804 8.999 23.797 1.00 0.00 C ATOM 141 CE3 TRP A 10 -8.203 8.146 22.180 1.00 0.00 C ATOM 142 CZ2 TRP A 10 -10.762 8.024 23.495 1.00 0.00 C ATOM 143 CZ3 TRP A 10 -9.172 7.178 21.890 1.00 0.00 C ATOM 144 CH2 TRP A 10 -10.415 7.095 22.507 1.00 0.00 C ATOM 0 H TRP A 10 -6.560 12.905 24.449 1.00 0.00 H new ATOM 0 HA TRP A 10 -5.669 10.253 25.255 1.00 0.00 H new ATOM 0 HB2 TRP A 10 -6.521 11.483 22.650 1.00 0.00 H new ATOM 0 HB3 TRP A 10 -5.944 9.835 22.803 1.00 0.00 H new ATOM 0 HD1 TRP A 10 -8.422 11.587 25.245 1.00 0.00 H new ATOM 0 HE1 TRP A 10 -10.644 10.254 25.338 1.00 0.00 H new ATOM 0 HE3 TRP A 10 -7.247 8.182 21.679 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 -11.718 7.990 23.997 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 -8.937 6.444 21.133 1.00 0.00 H new ATOM 0 HH2 TRP A 10 -11.110 6.317 22.225 1.00 0.00 H new ATOM 155 N THR A 11 -3.855 11.936 23.079 1.00 0.00 N ATOM 156 CA THR A 11 -2.498 12.163 22.613 1.00 0.00 C ATOM 157 C THR A 11 -1.897 10.867 22.067 1.00 0.00 C ATOM 158 O THR A 11 -2.624 9.988 21.605 1.00 0.00 O ATOM 159 CB THR A 11 -1.696 12.764 23.770 1.00 0.00 C ATOM 160 OG1 THR A 11 -1.146 11.632 24.436 1.00 0.00 O ATOM 161 CG2 THR A 11 -2.590 13.420 24.824 1.00 0.00 C ATOM 0 H THR A 11 -4.580 12.376 22.512 1.00 0.00 H new ATOM 0 HA THR A 11 -2.478 12.868 21.782 1.00 0.00 H new ATOM 0 HB THR A 11 -0.994 13.502 23.380 1.00 0.00 H new ATOM 0 HG1 THR A 11 -1.872 11.064 24.768 1.00 0.00 H new ATOM 0 HG21 THR A 11 -1.971 13.830 25.622 1.00 0.00 H new ATOM 0 HG22 THR A 11 -3.167 14.222 24.364 1.00 0.00 H new ATOM 0 HG23 THR A 11 -3.270 12.676 25.238 1.00 0.00 H new ATOM 169 N LYS A 12 -0.577 10.788 22.137 1.00 0.00 N ATOM 170 CA LYS A 12 0.130 9.614 21.655 1.00 0.00 C ATOM 171 C LYS A 12 -0.073 8.461 22.641 1.00 0.00 C ATOM 172 O LYS A 12 -0.152 7.302 22.238 1.00 0.00 O ATOM 173 CB LYS A 12 1.600 9.944 21.390 1.00 0.00 C ATOM 174 CG LYS A 12 2.293 8.801 20.645 1.00 0.00 C ATOM 175 CD LYS A 12 3.815 8.942 20.718 1.00 0.00 C ATOM 176 CE LYS A 12 4.328 8.624 22.124 1.00 0.00 C ATOM 177 NZ LYS A 12 5.029 9.795 22.697 1.00 0.00 N ATOM 0 H LYS A 12 0.022 11.519 22.521 1.00 0.00 H new ATOM 0 HA LYS A 12 -0.278 9.291 20.697 1.00 0.00 H new ATOM 0 HB2 LYS A 12 1.671 10.860 20.804 1.00 0.00 H new ATOM 0 HB3 LYS A 12 2.111 10.130 22.335 1.00 0.00 H new ATOM 0 HG2 LYS A 12 1.992 7.846 21.076 1.00 0.00 H new ATOM 0 HG3 LYS A 12 1.974 8.796 19.603 1.00 0.00 H new ATOM 0 HD2 LYS A 12 4.281 8.271 19.997 1.00 0.00 H new ATOM 0 HD3 LYS A 12 4.104 9.956 20.442 1.00 0.00 H new ATOM 0 HE2 LYS A 12 3.494 8.342 22.767 1.00 0.00 H new ATOM 0 HE3 LYS A 12 5.005 7.770 22.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 5.371 9.562 23.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 5.836 10.047 22.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 4.373 10.600 22.751 1.00 0.00 H new ATOM 191 N GLU A 13 -0.152 8.821 23.914 1.00 0.00 N ATOM 192 CA GLU A 13 -0.344 7.832 24.960 1.00 0.00 C ATOM 193 C GLU A 13 -1.525 6.921 24.619 1.00 0.00 C ATOM 194 O GLU A 13 -1.355 5.714 24.451 1.00 0.00 O ATOM 195 CB GLU A 13 -0.545 8.504 26.320 1.00 0.00 C ATOM 196 CG GLU A 13 0.116 7.692 27.436 1.00 0.00 C ATOM 197 CD GLU A 13 -0.922 7.201 28.446 1.00 0.00 C ATOM 198 OE1 GLU A 13 -1.378 8.045 29.248 1.00 0.00 O ATOM 199 OE2 GLU A 13 -1.237 5.992 28.394 1.00 0.00 O ATOM 0 H GLU A 13 -0.086 9.784 24.244 1.00 0.00 H new ATOM 0 HA GLU A 13 0.556 7.220 25.023 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -0.124 9.509 26.299 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -1.611 8.609 26.524 1.00 0.00 H new ATOM 0 HG2 GLU A 13 0.643 6.840 27.007 1.00 0.00 H new ATOM 0 HG3 GLU A 13 0.861 8.305 27.944 1.00 0.00 H new ATOM 206 N GLU A 14 -2.696 7.533 24.527 1.00 0.00 N ATOM 207 CA GLU A 14 -3.905 6.792 24.209 1.00 0.00 C ATOM 208 C GLU A 14 -3.683 5.920 22.972 1.00 0.00 C ATOM 209 O GLU A 14 -4.143 4.780 22.921 1.00 0.00 O ATOM 210 CB GLU A 14 -5.091 7.738 24.007 1.00 0.00 C ATOM 211 CG GLU A 14 -5.969 7.792 25.259 1.00 0.00 C ATOM 212 CD GLU A 14 -5.115 7.919 26.522 1.00 0.00 C ATOM 213 OE1 GLU A 14 -4.790 9.074 26.873 1.00 0.00 O ATOM 214 OE2 GLU A 14 -4.807 6.859 27.108 1.00 0.00 O ATOM 0 H GLU A 14 -2.834 8.534 24.667 1.00 0.00 H new ATOM 0 HA GLU A 14 -4.141 6.141 25.051 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -4.727 8.738 23.770 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -5.685 7.405 23.156 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -6.653 8.638 25.192 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.580 6.892 25.318 1.00 0.00 H new ATOM 221 N ASP A 15 -2.977 6.488 22.005 1.00 0.00 N ATOM 222 CA ASP A 15 -2.688 5.776 20.772 1.00 0.00 C ATOM 223 C ASP A 15 -1.787 4.578 21.079 1.00 0.00 C ATOM 224 O ASP A 15 -1.752 3.612 20.318 1.00 0.00 O ATOM 225 CB ASP A 15 -1.955 6.676 19.776 1.00 0.00 C ATOM 226 CG ASP A 15 -2.862 7.471 18.834 1.00 0.00 C ATOM 227 OD1 ASP A 15 -3.818 6.857 18.313 1.00 0.00 O ATOM 228 OD2 ASP A 15 -2.579 8.676 18.656 1.00 0.00 O ATOM 0 H ASP A 15 -2.597 7.433 22.051 1.00 0.00 H new ATOM 0 HA ASP A 15 -3.635 5.454 20.338 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -1.332 7.376 20.332 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -1.285 6.059 19.177 1.00 0.00 H new ATOM 233 N GLN A 16 -1.081 4.680 22.195 1.00 0.00 N ATOM 234 CA GLN A 16 -0.182 3.617 22.612 1.00 0.00 C ATOM 235 C GLN A 16 -0.955 2.534 23.366 1.00 0.00 C ATOM 236 O GLN A 16 -0.544 1.375 23.388 1.00 0.00 O ATOM 237 CB GLN A 16 0.962 4.169 23.465 1.00 0.00 C ATOM 238 CG GLN A 16 0.603 4.134 24.952 1.00 0.00 C ATOM 239 CD GLN A 16 1.454 3.104 25.697 1.00 0.00 C ATOM 240 OE1 GLN A 16 2.658 3.239 25.836 1.00 0.00 O ATOM 241 NE2 GLN A 16 0.762 2.070 26.168 1.00 0.00 N ATOM 0 H GLN A 16 -1.113 5.483 22.824 1.00 0.00 H new ATOM 0 HA GLN A 16 0.257 3.169 21.721 1.00 0.00 H new ATOM 0 HB2 GLN A 16 1.865 3.584 23.291 1.00 0.00 H new ATOM 0 HB3 GLN A 16 1.183 5.193 23.165 1.00 0.00 H new ATOM 0 HG2 GLN A 16 0.754 5.121 25.390 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -0.453 3.892 25.069 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -0.245 2.019 26.016 1.00 0.00 H new ATOM 0 HE22 GLN A 16 1.239 1.328 26.681 1.00 0.00 H new ATOM 250 N LYS A 17 -2.061 2.950 23.965 1.00 0.00 N ATOM 251 CA LYS A 17 -2.896 2.029 24.718 1.00 0.00 C ATOM 252 C LYS A 17 -3.877 1.342 23.767 1.00 0.00 C ATOM 253 O LYS A 17 -4.057 0.127 23.826 1.00 0.00 O ATOM 254 CB LYS A 17 -3.573 2.751 25.885 1.00 0.00 C ATOM 255 CG LYS A 17 -4.102 1.752 26.916 1.00 0.00 C ATOM 256 CD LYS A 17 -5.245 2.360 27.731 1.00 0.00 C ATOM 257 CE LYS A 17 -5.048 2.105 29.227 1.00 0.00 C ATOM 258 NZ LYS A 17 -5.702 3.166 30.024 1.00 0.00 N ATOM 0 H LYS A 17 -2.399 3.912 23.944 1.00 0.00 H new ATOM 0 HA LYS A 17 -2.287 1.245 25.169 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -2.862 3.427 26.360 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -4.394 3.363 25.512 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -4.450 0.852 26.410 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -3.295 1.451 27.583 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -5.298 3.433 27.545 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -6.194 1.933 27.408 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -5.463 1.133 29.494 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -3.984 2.071 29.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -5.559 2.978 31.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -5.287 4.088 29.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -6.721 3.179 29.815 1.00 0.00 H new ATOM 272 N VAL A 18 -4.486 2.150 22.912 1.00 0.00 N ATOM 273 CA VAL A 18 -5.445 1.635 21.949 1.00 0.00 C ATOM 274 C VAL A 18 -4.731 0.692 20.979 1.00 0.00 C ATOM 275 O VAL A 18 -5.343 -0.226 20.436 1.00 0.00 O ATOM 276 CB VAL A 18 -6.153 2.794 21.244 1.00 0.00 C ATOM 277 CG1 VAL A 18 -6.586 2.394 19.832 1.00 0.00 C ATOM 278 CG2 VAL A 18 -7.345 3.289 22.065 1.00 0.00 C ATOM 0 H VAL A 18 -4.334 3.158 22.866 1.00 0.00 H new ATOM 0 HA VAL A 18 -6.220 1.057 22.453 1.00 0.00 H new ATOM 0 HB VAL A 18 -5.443 3.617 21.156 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -7.087 3.235 19.353 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -5.709 2.113 19.248 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -7.271 1.548 19.887 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -7.830 4.113 21.542 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -8.057 2.475 22.200 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -6.998 3.633 23.039 1.00 0.00 H new ATOM 288 N ILE A 19 -3.445 0.951 20.790 1.00 0.00 N ATOM 289 CA ILE A 19 -2.641 0.137 19.895 1.00 0.00 C ATOM 290 C ILE A 19 -2.404 -1.233 20.533 1.00 0.00 C ATOM 291 O ILE A 19 -2.698 -2.263 19.927 1.00 0.00 O ATOM 292 CB ILE A 19 -1.352 0.870 19.517 1.00 0.00 C ATOM 293 CG1 ILE A 19 -1.563 1.748 18.281 1.00 0.00 C ATOM 294 CG2 ILE A 19 -0.196 -0.115 19.329 1.00 0.00 C ATOM 295 CD1 ILE A 19 -2.976 2.333 18.260 1.00 0.00 C ATOM 0 H ILE A 19 -2.940 1.714 21.242 1.00 0.00 H new ATOM 0 HA ILE A 19 -3.170 -0.034 18.958 1.00 0.00 H new ATOM 0 HB ILE A 19 -1.081 1.531 20.340 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.831 2.556 18.275 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -1.396 1.159 17.379 1.00 0.00 H new ATOM 0 HG21 ILE A 19 0.708 0.432 19.061 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -0.028 -0.661 20.258 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -0.443 -0.819 18.534 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -3.100 2.953 17.372 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -3.705 1.523 18.242 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -3.131 2.941 19.151 1.00 0.00 H new ATOM 307 N GLU A 20 -1.876 -1.202 21.748 1.00 0.00 N ATOM 308 CA GLU A 20 -1.597 -2.428 22.474 1.00 0.00 C ATOM 309 C GLU A 20 -2.897 -3.179 22.768 1.00 0.00 C ATOM 310 O GLU A 20 -2.922 -4.409 22.767 1.00 0.00 O ATOM 311 CB GLU A 20 -0.828 -2.138 23.765 1.00 0.00 C ATOM 312 CG GLU A 20 0.263 -3.186 24.000 1.00 0.00 C ATOM 313 CD GLU A 20 0.001 -3.969 25.288 1.00 0.00 C ATOM 314 OE1 GLU A 20 -1.169 -4.359 25.488 1.00 0.00 O ATOM 315 OE2 GLU A 20 0.978 -4.160 26.045 1.00 0.00 O ATOM 0 H GLU A 20 -1.634 -0.346 22.248 1.00 0.00 H new ATOM 0 HA GLU A 20 -0.968 -3.062 21.849 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.379 -1.146 23.710 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -1.517 -2.130 24.609 1.00 0.00 H new ATOM 0 HG2 GLU A 20 0.302 -3.872 23.154 1.00 0.00 H new ATOM 0 HG3 GLU A 20 1.236 -2.697 24.058 1.00 0.00 H new ATOM 322 N LEU A 21 -3.946 -2.407 23.013 1.00 0.00 N ATOM 323 CA LEU A 21 -5.247 -2.984 23.308 1.00 0.00 C ATOM 324 C LEU A 21 -5.758 -3.735 22.076 1.00 0.00 C ATOM 325 O LEU A 21 -6.034 -4.931 22.145 1.00 0.00 O ATOM 326 CB LEU A 21 -6.208 -1.907 23.814 1.00 0.00 C ATOM 327 CG LEU A 21 -5.999 -1.446 25.258 1.00 0.00 C ATOM 328 CD1 LEU A 21 -6.813 -0.186 25.555 1.00 0.00 C ATOM 329 CD2 LEU A 21 -6.309 -2.575 26.244 1.00 0.00 C ATOM 0 H LEU A 21 -3.922 -1.387 23.013 1.00 0.00 H new ATOM 0 HA LEU A 21 -5.167 -3.712 24.115 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.125 -1.038 23.161 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -7.227 -2.283 23.717 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.948 -1.187 25.385 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -6.646 0.120 26.588 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -6.502 0.615 24.884 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -7.872 -0.393 25.405 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.153 -2.221 27.263 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -7.346 -2.888 26.124 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.649 -3.420 26.048 1.00 0.00 H new ATOM 341 N VAL A 22 -5.869 -3.000 20.979 1.00 0.00 N ATOM 342 CA VAL A 22 -6.342 -3.582 19.734 1.00 0.00 C ATOM 343 C VAL A 22 -5.385 -4.693 19.299 1.00 0.00 C ATOM 344 O VAL A 22 -5.730 -5.521 18.458 1.00 0.00 O ATOM 345 CB VAL A 22 -6.511 -2.489 18.677 1.00 0.00 C ATOM 346 CG1 VAL A 22 -6.826 -3.094 17.308 1.00 0.00 C ATOM 347 CG2 VAL A 22 -7.587 -1.484 19.093 1.00 0.00 C ATOM 0 H VAL A 22 -5.640 -2.007 20.926 1.00 0.00 H new ATOM 0 HA VAL A 22 -7.323 -4.036 19.873 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.566 -1.953 18.597 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -6.941 -2.295 16.575 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -6.011 -3.751 17.004 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -7.751 -3.668 17.368 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -7.686 -0.718 18.324 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -8.539 -2.000 19.216 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -7.303 -1.017 20.036 1.00 0.00 H new ATOM 357 N LYS A 23 -4.199 -4.674 19.891 1.00 0.00 N ATOM 358 CA LYS A 23 -3.189 -5.669 19.574 1.00 0.00 C ATOM 359 C LYS A 23 -3.460 -6.939 20.383 1.00 0.00 C ATOM 360 O LYS A 23 -3.050 -8.030 19.989 1.00 0.00 O ATOM 361 CB LYS A 23 -1.787 -5.094 19.783 1.00 0.00 C ATOM 362 CG LYS A 23 -1.212 -4.559 18.469 1.00 0.00 C ATOM 363 CD LYS A 23 0.092 -5.274 18.110 1.00 0.00 C ATOM 364 CE LYS A 23 1.303 -4.504 18.642 1.00 0.00 C ATOM 365 NZ LYS A 23 1.416 -4.667 20.109 1.00 0.00 N ATOM 0 H LYS A 23 -3.916 -3.985 20.588 1.00 0.00 H new ATOM 0 HA LYS A 23 -3.242 -5.944 18.521 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -1.825 -4.292 20.521 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -1.130 -5.865 20.184 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -1.938 -4.696 17.668 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -1.031 -3.488 18.556 1.00 0.00 H new ATOM 0 HD2 LYS A 23 0.085 -6.281 18.526 1.00 0.00 H new ATOM 0 HD3 LYS A 23 0.169 -5.377 17.028 1.00 0.00 H new ATOM 0 HE2 LYS A 23 2.211 -4.864 18.159 1.00 0.00 H new ATOM 0 HE3 LYS A 23 1.207 -3.447 18.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 2.313 -4.254 20.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 0.622 -4.183 20.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 1.393 -5.679 20.349 1.00 0.00 H new ATOM 379 N LYS A 24 -4.148 -6.756 21.500 1.00 0.00 N ATOM 380 CA LYS A 24 -4.479 -7.873 22.368 1.00 0.00 C ATOM 381 C LYS A 24 -5.926 -8.299 22.115 1.00 0.00 C ATOM 382 O LYS A 24 -6.302 -9.435 22.400 1.00 0.00 O ATOM 383 CB LYS A 24 -4.187 -7.522 23.828 1.00 0.00 C ATOM 384 CG LYS A 24 -3.918 -8.783 24.652 1.00 0.00 C ATOM 385 CD LYS A 24 -4.916 -8.908 25.805 1.00 0.00 C ATOM 386 CE LYS A 24 -6.248 -9.481 25.316 1.00 0.00 C ATOM 387 NZ LYS A 24 -6.078 -10.881 24.868 1.00 0.00 N ATOM 0 H LYS A 24 -4.486 -5.850 21.824 1.00 0.00 H new ATOM 0 HA LYS A 24 -3.849 -8.733 22.139 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -3.324 -6.858 23.881 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.033 -6.980 24.252 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -3.986 -9.662 24.011 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.902 -8.754 25.047 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -4.502 -9.552 26.581 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -5.080 -7.930 26.256 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -6.986 -9.437 26.117 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -6.632 -8.875 24.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -6.870 -11.456 25.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -6.060 -10.913 23.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -5.184 -11.259 25.242 1.00 0.00 H new ATOM 401 N TYR A 25 -6.700 -7.364 21.584 1.00 0.00 N ATOM 402 CA TYR A 25 -8.098 -7.629 21.290 1.00 0.00 C ATOM 403 C TYR A 25 -8.266 -8.180 19.872 1.00 0.00 C ATOM 404 O TYR A 25 -8.870 -9.234 19.680 1.00 0.00 O ATOM 405 CB TYR A 25 -8.812 -6.279 21.386 1.00 0.00 C ATOM 406 CG TYR A 25 -9.147 -5.853 22.817 1.00 0.00 C ATOM 407 CD1 TYR A 25 -8.278 -6.152 23.847 1.00 0.00 C ATOM 408 CD2 TYR A 25 -10.317 -5.170 23.078 1.00 0.00 C ATOM 409 CE1 TYR A 25 -8.593 -5.751 25.194 1.00 0.00 C ATOM 410 CE2 TYR A 25 -10.632 -4.769 24.425 1.00 0.00 C ATOM 411 CZ TYR A 25 -9.754 -5.079 25.416 1.00 0.00 C ATOM 412 OH TYR A 25 -10.052 -4.701 26.688 1.00 0.00 O ATOM 0 H TYR A 25 -6.386 -6.422 21.350 1.00 0.00 H new ATOM 0 HA TYR A 25 -8.502 -8.367 21.983 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -8.185 -5.514 20.928 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -9.734 -6.325 20.806 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -7.362 -6.687 23.643 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -10.997 -4.936 22.272 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -7.922 -5.979 26.009 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -11.545 -4.234 24.643 1.00 0.00 H new ATOM 0 HH TYR A 25 -10.911 -4.229 26.696 1.00 0.00 H new ATOM 422 N GLY A 26 -7.721 -7.442 18.916 1.00 0.00 N ATOM 423 CA GLY A 26 -7.802 -7.845 17.522 1.00 0.00 C ATOM 424 C GLY A 26 -7.881 -6.624 16.603 1.00 0.00 C ATOM 425 O GLY A 26 -6.885 -5.932 16.398 1.00 0.00 O ATOM 0 H GLY A 26 -7.222 -6.568 19.079 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -6.930 -8.445 17.262 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -8.679 -8.475 17.372 1.00 0.00 H new ATOM 429 N THR A 27 -9.075 -6.397 16.075 1.00 0.00 N ATOM 430 CA THR A 27 -9.296 -5.272 15.182 1.00 0.00 C ATOM 431 C THR A 27 -10.776 -5.174 14.805 1.00 0.00 C ATOM 432 O THR A 27 -11.121 -5.179 13.625 1.00 0.00 O ATOM 433 CB THR A 27 -8.371 -5.437 13.975 1.00 0.00 C ATOM 434 OG1 THR A 27 -8.008 -6.814 14.001 1.00 0.00 O ATOM 435 CG2 THR A 27 -7.043 -4.698 14.150 1.00 0.00 C ATOM 0 H THR A 27 -9.899 -6.973 16.248 1.00 0.00 H new ATOM 0 HA THR A 27 -9.053 -4.327 15.668 1.00 0.00 H new ATOM 0 HB THR A 27 -8.874 -5.072 13.080 1.00 0.00 H new ATOM 0 HG1 THR A 27 -7.409 -7.009 13.250 1.00 0.00 H new ATOM 0 HG21 THR A 27 -6.424 -4.848 13.265 1.00 0.00 H new ATOM 0 HG22 THR A 27 -7.234 -3.633 14.283 1.00 0.00 H new ATOM 0 HG23 THR A 27 -6.524 -5.086 15.026 1.00 0.00 H new ATOM 443 N LYS A 28 -11.610 -5.088 15.831 1.00 0.00 N ATOM 444 CA LYS A 28 -13.045 -4.989 15.622 1.00 0.00 C ATOM 445 C LYS A 28 -13.674 -4.225 16.788 1.00 0.00 C ATOM 446 O LYS A 28 -14.513 -3.349 16.581 1.00 0.00 O ATOM 447 CB LYS A 28 -13.651 -6.376 15.397 1.00 0.00 C ATOM 448 CG LYS A 28 -13.937 -6.615 13.913 1.00 0.00 C ATOM 449 CD LYS A 28 -15.290 -6.024 13.513 1.00 0.00 C ATOM 450 CE LYS A 28 -15.140 -5.057 12.337 1.00 0.00 C ATOM 451 NZ LYS A 28 -14.985 -5.804 11.069 1.00 0.00 N ATOM 0 H LYS A 28 -11.320 -5.085 16.809 1.00 0.00 H new ATOM 0 HA LYS A 28 -13.260 -4.422 14.716 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -12.967 -7.140 15.767 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -14.574 -6.471 15.969 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -13.148 -6.166 13.310 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -13.928 -7.685 13.705 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -15.976 -6.827 13.243 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -15.729 -5.502 14.364 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -16.013 -4.407 12.279 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -14.274 -4.414 12.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -14.884 -5.133 10.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -14.138 -6.406 11.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -15.823 -6.399 10.912 1.00 0.00 H new ATOM 465 N GLN A 29 -13.245 -4.583 17.989 1.00 0.00 N ATOM 466 CA GLN A 29 -13.756 -3.942 19.189 1.00 0.00 C ATOM 467 C GLN A 29 -13.171 -2.535 19.329 1.00 0.00 C ATOM 468 O GLN A 29 -12.190 -2.336 20.044 1.00 0.00 O ATOM 469 CB GLN A 29 -13.460 -4.786 20.430 1.00 0.00 C ATOM 470 CG GLN A 29 -14.373 -6.012 20.490 1.00 0.00 C ATOM 471 CD GLN A 29 -13.840 -7.137 19.601 1.00 0.00 C ATOM 472 OE1 GLN A 29 -14.449 -7.528 18.618 1.00 0.00 O ATOM 473 NE2 GLN A 29 -12.673 -7.635 19.999 1.00 0.00 N ATOM 0 H GLN A 29 -12.549 -5.309 18.157 1.00 0.00 H new ATOM 0 HA GLN A 29 -14.839 -3.856 19.099 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -12.418 -5.105 20.417 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -13.598 -4.182 21.327 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -14.450 -6.363 21.519 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -15.378 -5.737 20.171 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -12.216 -7.262 20.831 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -12.234 -8.390 19.472 1.00 0.00 H new ATOM 482 N TRP A 30 -13.797 -1.596 18.635 1.00 0.00 N ATOM 483 CA TRP A 30 -13.351 -0.214 18.674 1.00 0.00 C ATOM 484 C TRP A 30 -13.717 0.363 20.043 1.00 0.00 C ATOM 485 O TRP A 30 -13.339 1.487 20.367 1.00 0.00 O ATOM 486 CB TRP A 30 -13.942 0.585 17.511 1.00 0.00 C ATOM 487 CG TRP A 30 -13.066 0.597 16.256 1.00 0.00 C ATOM 488 CD1 TRP A 30 -13.213 -0.131 15.141 1.00 0.00 C ATOM 489 CD2 TRP A 30 -11.896 1.411 16.032 1.00 0.00 C ATOM 490 NE1 TRP A 30 -12.227 0.152 14.218 1.00 0.00 N ATOM 491 CE2 TRP A 30 -11.400 1.120 14.777 1.00 0.00 C ATOM 492 CE3 TRP A 30 -11.276 2.362 16.862 1.00 0.00 C ATOM 493 CZ2 TRP A 30 -10.263 1.735 14.240 1.00 0.00 C ATOM 494 CZ3 TRP A 30 -10.141 2.968 16.310 1.00 0.00 C ATOM 495 CH2 TRP A 30 -9.629 2.686 15.049 1.00 0.00 C ATOM 0 H TRP A 30 -14.610 -1.765 18.042 1.00 0.00 H new ATOM 0 HA TRP A 30 -12.270 -0.154 18.549 1.00 0.00 H new ATOM 0 HB2 TRP A 30 -14.917 0.170 17.257 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -14.107 1.612 17.836 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -14.004 -0.849 14.984 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -12.124 -0.271 13.296 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -11.646 2.606 17.847 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -9.895 1.489 13.255 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -9.627 3.707 16.906 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -8.746 3.198 14.695 1.00 0.00 H new ATOM 506 N THR A 31 -14.448 -0.434 20.809 1.00 0.00 N ATOM 507 CA THR A 31 -14.869 -0.016 22.135 1.00 0.00 C ATOM 508 C THR A 31 -13.656 0.148 23.053 1.00 0.00 C ATOM 509 O THR A 31 -13.565 1.121 23.801 1.00 0.00 O ATOM 510 CB THR A 31 -15.887 -1.035 22.651 1.00 0.00 C ATOM 511 OG1 THR A 31 -17.066 -0.266 22.873 1.00 0.00 O ATOM 512 CG2 THR A 31 -15.527 -1.573 24.037 1.00 0.00 C ATOM 0 H THR A 31 -14.759 -1.366 20.537 1.00 0.00 H new ATOM 0 HA THR A 31 -15.351 0.961 22.107 1.00 0.00 H new ATOM 0 HB THR A 31 -15.958 -1.864 21.947 1.00 0.00 H new ATOM 0 HG1 THR A 31 -17.779 -0.849 23.207 1.00 0.00 H new ATOM 0 HG21 THR A 31 -16.282 -2.292 24.356 1.00 0.00 H new ATOM 0 HG22 THR A 31 -14.554 -2.063 23.996 1.00 0.00 H new ATOM 0 HG23 THR A 31 -15.488 -0.748 24.749 1.00 0.00 H new ATOM 520 N LEU A 32 -12.753 -0.818 22.966 1.00 0.00 N ATOM 521 CA LEU A 32 -11.549 -0.793 23.779 1.00 0.00 C ATOM 522 C LEU A 32 -10.856 0.561 23.615 1.00 0.00 C ATOM 523 O LEU A 32 -10.030 0.944 24.441 1.00 0.00 O ATOM 524 CB LEU A 32 -10.652 -1.987 23.446 1.00 0.00 C ATOM 525 CG LEU A 32 -9.703 -1.803 22.260 1.00 0.00 C ATOM 526 CD1 LEU A 32 -8.737 -0.642 22.506 1.00 0.00 C ATOM 527 CD2 LEU A 32 -8.965 -3.104 21.941 1.00 0.00 C ATOM 0 H LEU A 32 -12.831 -1.623 22.345 1.00 0.00 H new ATOM 0 HA LEU A 32 -11.800 -0.897 24.834 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -10.058 -2.227 24.328 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -11.288 -2.849 23.246 1.00 0.00 H new ATOM 0 HG LEU A 32 -10.298 -1.547 21.383 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -8.074 -0.533 21.648 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -9.303 0.279 22.647 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -8.145 -0.844 23.399 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -8.297 -2.945 21.094 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -8.383 -3.414 22.809 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -9.688 -3.881 21.692 1.00 0.00 H new ATOM 539 N ILE A 33 -11.218 1.249 22.542 1.00 0.00 N ATOM 540 CA ILE A 33 -10.642 2.553 22.259 1.00 0.00 C ATOM 541 C ILE A 33 -11.453 3.632 22.978 1.00 0.00 C ATOM 542 O ILE A 33 -10.888 4.495 23.648 1.00 0.00 O ATOM 543 CB ILE A 33 -10.530 2.772 20.749 1.00 0.00 C ATOM 544 CG1 ILE A 33 -9.501 1.822 20.131 1.00 0.00 C ATOM 545 CG2 ILE A 33 -10.222 4.236 20.429 1.00 0.00 C ATOM 546 CD1 ILE A 33 -10.116 0.447 19.864 1.00 0.00 C ATOM 0 H ILE A 33 -11.903 0.928 21.858 1.00 0.00 H new ATOM 0 HA ILE A 33 -9.624 2.611 22.643 1.00 0.00 H new ATOM 0 HB ILE A 33 -11.495 2.539 20.298 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -9.125 2.244 19.199 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -8.647 1.719 20.801 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -10.148 4.365 19.349 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -11.021 4.869 20.815 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -9.278 4.519 20.894 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -9.364 -0.209 19.425 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -10.469 0.018 20.802 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -10.954 0.551 19.175 1.00 0.00 H new ATOM 558 N ALA A 34 -12.765 3.547 22.816 1.00 0.00 N ATOM 559 CA ALA A 34 -13.660 4.506 23.442 1.00 0.00 C ATOM 560 C ALA A 34 -14.247 3.893 24.715 1.00 0.00 C ATOM 561 O ALA A 34 -15.367 4.219 25.105 1.00 0.00 O ATOM 562 CB ALA A 34 -14.742 4.923 22.443 1.00 0.00 C ATOM 0 H ALA A 34 -13.230 2.829 22.260 1.00 0.00 H new ATOM 0 HA ALA A 34 -13.117 5.407 23.729 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -15.413 5.642 22.913 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -14.275 5.379 21.570 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -15.310 4.045 22.134 1.00 0.00 H new ATOM 568 N LYS A 35 -13.464 3.017 25.327 1.00 0.00 N ATOM 569 CA LYS A 35 -13.893 2.356 26.548 1.00 0.00 C ATOM 570 C LYS A 35 -12.870 2.624 27.654 1.00 0.00 C ATOM 571 O LYS A 35 -13.238 2.812 28.812 1.00 0.00 O ATOM 572 CB LYS A 35 -14.145 0.868 26.292 1.00 0.00 C ATOM 573 CG LYS A 35 -14.776 0.201 27.515 1.00 0.00 C ATOM 574 CD LYS A 35 -15.200 -1.235 27.199 1.00 0.00 C ATOM 575 CE LYS A 35 -15.141 -2.112 28.451 1.00 0.00 C ATOM 576 NZ LYS A 35 -16.495 -2.585 28.817 1.00 0.00 N ATOM 0 H LYS A 35 -12.535 2.750 25.000 1.00 0.00 H new ATOM 0 HA LYS A 35 -14.845 2.764 26.887 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -14.801 0.750 25.430 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -13.205 0.373 26.048 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -14.065 0.201 28.341 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -15.642 0.776 27.841 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -16.213 -1.239 26.796 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -14.549 -1.649 26.429 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -14.487 -2.966 28.274 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -14.711 -1.547 29.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -16.437 -3.179 29.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -17.109 -1.767 29.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -16.892 -3.142 28.033 1.00 0.00 H new ATOM 590 N HIS A 36 -11.606 2.633 27.257 1.00 0.00 N ATOM 591 CA HIS A 36 -10.527 2.875 28.200 1.00 0.00 C ATOM 592 C HIS A 36 -10.359 4.381 28.413 1.00 0.00 C ATOM 593 O HIS A 36 -9.658 4.808 29.329 1.00 0.00 O ATOM 594 CB HIS A 36 -9.237 2.194 27.737 1.00 0.00 C ATOM 595 CG HIS A 36 -9.403 0.733 27.394 1.00 0.00 C ATOM 596 ND1 HIS A 36 -10.382 0.086 26.699 1.00 0.00 N flip ATOM 597 CD2 HIS A 36 -8.493 -0.235 27.780 1.00 0.00 C flip ATOM 598 CE1 HIS A 36 -10.085 -1.207 26.661 1.00 0.00 C flip ATOM 599 NE2 HIS A 36 -8.915 -1.408 27.331 1.00 0.00 N flip ATOM 0 H HIS A 36 -11.305 2.477 26.295 1.00 0.00 H new ATOM 0 HA HIS A 36 -10.777 2.433 29.164 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -8.854 2.721 26.863 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -8.486 2.290 28.521 1.00 0.00 H new ATOM 0 HD1 HIS A 36 -11.203 0.522 26.280 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -7.592 -0.064 28.350 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -10.673 -1.974 26.179 1.00 0.00 H new ATOM 607 N LEU A 37 -11.015 5.144 27.551 1.00 0.00 N ATOM 608 CA LEU A 37 -10.948 6.593 27.633 1.00 0.00 C ATOM 609 C LEU A 37 -12.340 7.148 27.942 1.00 0.00 C ATOM 610 O LEU A 37 -13.290 6.387 28.120 1.00 0.00 O ATOM 611 CB LEU A 37 -10.323 7.173 26.362 1.00 0.00 C ATOM 612 CG LEU A 37 -8.864 6.795 26.099 1.00 0.00 C ATOM 613 CD1 LEU A 37 -7.945 7.377 27.174 1.00 0.00 C ATOM 614 CD2 LEU A 37 -8.706 5.279 25.969 1.00 0.00 C ATOM 0 H LEU A 37 -11.595 4.786 26.792 1.00 0.00 H new ATOM 0 HA LEU A 37 -10.295 6.898 28.450 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -10.920 6.852 25.508 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -10.393 8.260 26.410 1.00 0.00 H new ATOM 0 HG LEU A 37 -8.563 7.233 25.147 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -6.914 7.094 26.964 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -8.030 8.464 27.176 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -8.236 6.989 28.150 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -7.660 5.037 25.782 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -9.030 4.799 26.892 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -9.315 4.919 25.140 1.00 0.00 H new ATOM 626 N LYS A 38 -12.417 8.469 27.997 1.00 0.00 N ATOM 627 CA LYS A 38 -13.677 9.134 28.282 1.00 0.00 C ATOM 628 C LYS A 38 -13.683 10.512 27.616 1.00 0.00 C ATOM 629 O LYS A 38 -14.281 11.453 28.135 1.00 0.00 O ATOM 630 CB LYS A 38 -13.930 9.179 29.790 1.00 0.00 C ATOM 631 CG LYS A 38 -14.092 7.769 30.361 1.00 0.00 C ATOM 632 CD LYS A 38 -12.731 7.144 30.673 1.00 0.00 C ATOM 633 CE LYS A 38 -12.522 7.012 32.183 1.00 0.00 C ATOM 634 NZ LYS A 38 -11.608 8.067 32.674 1.00 0.00 N ATOM 0 H LYS A 38 -11.627 9.097 27.849 1.00 0.00 H new ATOM 0 HA LYS A 38 -14.509 8.571 27.859 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -13.101 9.683 30.287 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -14.827 9.763 29.995 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -14.695 7.807 31.268 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -14.629 7.143 29.648 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -12.662 6.162 30.205 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -11.938 7.757 30.245 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -13.481 7.085 32.697 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -12.111 6.030 32.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -11.477 7.963 33.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -10.688 7.979 32.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -12.016 9.002 32.470 1.00 0.00 H new ATOM 648 N GLY A 39 -13.010 10.587 26.477 1.00 0.00 N ATOM 649 CA GLY A 39 -12.931 11.833 25.735 1.00 0.00 C ATOM 650 C GLY A 39 -14.033 11.913 24.676 1.00 0.00 C ATOM 651 O GLY A 39 -14.209 12.947 24.034 1.00 0.00 O ATOM 0 H GLY A 39 -12.514 9.804 26.050 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -13.020 12.675 26.421 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -11.955 11.914 25.256 1.00 0.00 H new ATOM 655 N ARG A 40 -14.746 10.806 24.527 1.00 0.00 N ATOM 656 CA ARG A 40 -15.826 10.737 23.557 1.00 0.00 C ATOM 657 C ARG A 40 -15.261 10.587 22.143 1.00 0.00 C ATOM 658 O ARG A 40 -14.146 11.028 21.866 1.00 0.00 O ATOM 659 CB ARG A 40 -16.702 11.990 23.618 1.00 0.00 C ATOM 660 CG ARG A 40 -18.187 11.621 23.612 1.00 0.00 C ATOM 661 CD ARG A 40 -18.976 12.508 24.577 1.00 0.00 C ATOM 662 NE ARG A 40 -19.932 13.350 23.824 1.00 0.00 N ATOM 663 CZ ARG A 40 -19.612 14.515 23.244 1.00 0.00 C ATOM 664 NH1 ARG A 40 -18.360 14.983 23.326 1.00 0.00 N ATOM 665 NH2 ARG A 40 -20.545 15.212 22.580 1.00 0.00 N ATOM 0 H ARG A 40 -14.597 9.950 25.061 1.00 0.00 H new ATOM 0 HA ARG A 40 -16.437 9.868 23.802 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -16.468 12.558 24.518 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -16.480 12.635 22.768 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -18.588 11.728 22.604 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -18.307 10.575 23.894 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -19.512 11.889 25.297 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -18.293 13.139 25.145 1.00 0.00 H new ATOM 0 HE ARG A 40 -20.895 13.023 23.741 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -17.649 14.453 23.830 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -18.117 15.870 22.884 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -21.499 14.856 22.516 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -20.301 16.099 22.139 1.00 0.00 H new ATOM 679 N LEU A 41 -16.055 9.963 21.286 1.00 0.00 N ATOM 680 CA LEU A 41 -15.648 9.750 19.908 1.00 0.00 C ATOM 681 C LEU A 41 -14.139 9.505 19.858 1.00 0.00 C ATOM 682 O LEU A 41 -13.355 10.450 19.788 1.00 0.00 O ATOM 683 CB LEU A 41 -16.112 10.911 19.026 1.00 0.00 C ATOM 684 CG LEU A 41 -17.485 10.749 18.370 1.00 0.00 C ATOM 685 CD1 LEU A 41 -17.411 9.802 17.170 1.00 0.00 C ATOM 686 CD2 LEU A 41 -18.530 10.298 19.392 1.00 0.00 C ATOM 0 H LEU A 41 -16.978 9.598 21.519 1.00 0.00 H new ATOM 0 HA LEU A 41 -16.129 8.860 19.503 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -16.125 11.818 19.631 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -15.372 11.063 18.240 1.00 0.00 H new ATOM 0 HG LEU A 41 -17.801 11.722 17.993 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -18.400 9.704 16.722 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -16.716 10.203 16.432 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -17.064 8.823 17.500 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -19.497 10.190 18.900 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -18.232 9.341 19.819 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -18.607 11.041 20.186 1.00 0.00 H new ATOM 698 N GLY A 42 -13.776 8.231 19.897 1.00 0.00 N ATOM 699 CA GLY A 42 -12.375 7.850 19.858 1.00 0.00 C ATOM 700 C GLY A 42 -11.559 8.847 19.033 1.00 0.00 C ATOM 701 O GLY A 42 -11.634 8.851 17.805 1.00 0.00 O ATOM 0 H GLY A 42 -14.429 7.449 19.955 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -11.979 7.802 20.872 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -12.277 6.852 19.430 1.00 0.00 H new ATOM 705 N LYS A 43 -10.797 9.669 19.741 1.00 0.00 N ATOM 706 CA LYS A 43 -9.968 10.668 19.090 1.00 0.00 C ATOM 707 C LYS A 43 -9.336 10.062 17.835 1.00 0.00 C ATOM 708 O LYS A 43 -8.395 9.276 17.927 1.00 0.00 O ATOM 709 CB LYS A 43 -8.948 11.242 20.075 1.00 0.00 C ATOM 710 CG LYS A 43 -8.031 12.256 19.386 1.00 0.00 C ATOM 711 CD LYS A 43 -8.316 13.676 19.880 1.00 0.00 C ATOM 712 CE LYS A 43 -7.926 14.712 18.823 1.00 0.00 C ATOM 713 NZ LYS A 43 -7.224 15.853 19.451 1.00 0.00 N ATOM 0 H LYS A 43 -10.737 9.663 20.759 1.00 0.00 H new ATOM 0 HA LYS A 43 -10.575 11.513 18.766 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -9.468 11.721 20.904 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -8.350 10.434 20.497 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -6.989 12.001 19.581 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -8.174 12.207 18.307 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -9.375 13.776 20.120 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -7.762 13.863 20.800 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -7.284 14.251 18.073 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -8.818 15.066 18.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -6.966 16.547 18.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -7.849 16.303 20.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -6.363 15.513 19.924 1.00 0.00 H new ATOM 727 N GLN A 44 -9.881 10.450 16.691 1.00 0.00 N ATOM 728 CA GLN A 44 -9.383 9.954 15.419 1.00 0.00 C ATOM 729 C GLN A 44 -9.658 8.454 15.289 1.00 0.00 C ATOM 730 O GLN A 44 -8.847 7.632 15.712 1.00 0.00 O ATOM 731 CB GLN A 44 -7.891 10.253 15.260 1.00 0.00 C ATOM 732 CG GLN A 44 -7.673 11.575 14.520 1.00 0.00 C ATOM 733 CD GLN A 44 -7.068 11.334 13.135 1.00 0.00 C ATOM 734 OE1 GLN A 44 -7.757 11.042 12.171 1.00 0.00 O ATOM 735 NE2 GLN A 44 -5.746 11.473 13.090 1.00 0.00 N ATOM 0 H GLN A 44 -10.662 11.102 16.618 1.00 0.00 H new ATOM 0 HA GLN A 44 -9.911 10.471 14.618 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -7.419 10.299 16.241 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -7.410 9.442 14.713 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -8.623 12.101 14.420 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -7.013 12.218 15.103 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -5.230 11.719 13.935 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -5.248 11.334 12.211 1.00 0.00 H new ATOM 744 N CYS A 45 -10.805 8.144 14.702 1.00 0.00 N ATOM 745 CA CYS A 45 -11.197 6.758 14.512 1.00 0.00 C ATOM 746 C CYS A 45 -10.840 6.351 13.081 1.00 0.00 C ATOM 747 O CYS A 45 -11.259 7.000 12.124 1.00 0.00 O ATOM 748 CB CYS A 45 -12.682 6.544 14.813 1.00 0.00 C ATOM 749 SG CYS A 45 -13.701 7.241 13.462 1.00 0.00 S ATOM 0 H CYS A 45 -11.475 8.829 14.352 1.00 0.00 H new ATOM 0 HA CYS A 45 -10.657 6.124 15.215 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -12.889 5.480 14.924 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -12.942 7.020 15.759 1.00 0.00 H new ATOM 0 HG CYS A 45 -12.988 7.320 12.378 1.00 0.00 H new ATOM 755 N ARG A 46 -10.070 5.277 12.980 1.00 0.00 N ATOM 756 CA ARG A 46 -9.652 4.775 11.682 1.00 0.00 C ATOM 757 C ARG A 46 -8.939 5.875 10.892 1.00 0.00 C ATOM 758 O ARG A 46 -9.582 6.665 10.203 1.00 0.00 O ATOM 759 CB ARG A 46 -10.850 4.272 10.874 1.00 0.00 C ATOM 760 CG ARG A 46 -11.554 3.121 11.596 1.00 0.00 C ATOM 761 CD ARG A 46 -12.815 2.691 10.845 1.00 0.00 C ATOM 762 NE ARG A 46 -13.769 3.821 10.769 1.00 0.00 N ATOM 763 CZ ARG A 46 -13.750 4.756 9.810 1.00 0.00 C ATOM 764 NH1 ARG A 46 -12.828 4.704 8.840 1.00 0.00 N ATOM 765 NH2 ARG A 46 -14.655 5.745 9.822 1.00 0.00 N ATOM 0 H ARG A 46 -9.725 4.741 13.776 1.00 0.00 H new ATOM 0 HA ARG A 46 -8.968 3.943 11.853 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -11.553 5.089 10.713 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -10.516 3.940 9.891 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -10.874 2.274 11.687 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -11.817 3.429 12.608 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -12.554 2.356 9.841 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -13.280 1.845 11.352 1.00 0.00 H new ATOM 0 HE ARG A 46 -14.485 3.892 11.492 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -12.139 3.952 8.831 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -12.815 5.417 8.110 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -15.357 5.785 10.561 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -14.641 6.458 9.092 1.00 0.00 H new ATOM 779 N GLU A 47 -7.620 5.889 11.018 1.00 0.00 N ATOM 780 CA GLU A 47 -6.813 6.879 10.325 1.00 0.00 C ATOM 781 C GLU A 47 -5.326 6.561 10.491 1.00 0.00 C ATOM 782 O GLU A 47 -4.551 6.684 9.543 1.00 0.00 O ATOM 783 CB GLU A 47 -7.131 8.291 10.820 1.00 0.00 C ATOM 784 CG GLU A 47 -7.811 9.116 9.726 1.00 0.00 C ATOM 785 CD GLU A 47 -7.238 10.533 9.672 1.00 0.00 C ATOM 786 OE1 GLU A 47 -6.040 10.674 10.000 1.00 0.00 O ATOM 787 OE2 GLU A 47 -8.011 11.444 9.303 1.00 0.00 O ATOM 0 H GLU A 47 -7.090 5.231 11.589 1.00 0.00 H new ATOM 0 HA GLU A 47 -7.057 6.839 9.263 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -7.779 8.236 11.695 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -6.212 8.785 11.135 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -7.676 8.628 8.761 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -8.884 9.161 9.913 1.00 0.00 H new ATOM 794 N ARG A 48 -4.971 6.159 11.703 1.00 0.00 N ATOM 795 CA ARG A 48 -3.590 5.823 12.005 1.00 0.00 C ATOM 796 C ARG A 48 -3.308 4.364 11.644 1.00 0.00 C ATOM 797 O ARG A 48 -2.170 4.004 11.343 1.00 0.00 O ATOM 798 CB ARG A 48 -3.282 6.043 13.488 1.00 0.00 C ATOM 799 CG ARG A 48 -1.851 5.616 13.820 1.00 0.00 C ATOM 800 CD ARG A 48 -1.136 6.688 14.645 1.00 0.00 C ATOM 801 NE ARG A 48 0.313 6.396 14.707 1.00 0.00 N ATOM 802 CZ ARG A 48 0.848 5.388 15.409 1.00 0.00 C ATOM 803 NH1 ARG A 48 0.056 4.568 16.114 1.00 0.00 N ATOM 804 NH2 ARG A 48 2.174 5.198 15.406 1.00 0.00 N ATOM 0 H ARG A 48 -5.616 6.059 12.487 1.00 0.00 H new ATOM 0 HA ARG A 48 -2.952 6.478 11.412 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -3.419 7.095 13.739 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -3.985 5.475 14.097 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -1.867 4.677 14.373 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -1.299 5.433 12.898 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -1.299 7.670 14.200 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -1.552 6.721 15.652 1.00 0.00 H new ATOM 0 HE ARG A 48 0.945 7.000 14.182 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -0.954 4.711 16.116 1.00 0.00 H new ATOM 0 HH12 ARG A 48 0.463 3.801 16.648 1.00 0.00 H new ATOM 0 HH21 ARG A 48 2.777 5.821 14.869 1.00 0.00 H new ATOM 0 HH22 ARG A 48 2.580 4.430 15.941 1.00 0.00 H new ATOM 818 N TRP A 49 -4.362 3.562 11.685 1.00 0.00 N ATOM 819 CA TRP A 49 -4.241 2.150 11.366 1.00 0.00 C ATOM 820 C TRP A 49 -4.845 1.926 9.978 1.00 0.00 C ATOM 821 O TRP A 49 -4.187 1.385 9.091 1.00 0.00 O ATOM 822 CB TRP A 49 -4.892 1.286 12.447 1.00 0.00 C ATOM 823 CG TRP A 49 -3.902 0.429 13.239 1.00 0.00 C ATOM 824 CD1 TRP A 49 -2.717 -0.048 12.834 1.00 0.00 C ATOM 825 CD2 TRP A 49 -4.060 -0.036 14.596 1.00 0.00 C ATOM 826 NE1 TRP A 49 -2.102 -0.784 13.827 1.00 0.00 N ATOM 827 CE2 TRP A 49 -2.945 -0.776 14.932 1.00 0.00 C ATOM 828 CE3 TRP A 49 -5.111 0.162 15.509 1.00 0.00 C ATOM 829 CZ2 TRP A 49 -2.773 -1.377 16.185 1.00 0.00 C ATOM 830 CZ3 TRP A 49 -4.924 -0.446 16.756 1.00 0.00 C ATOM 831 CH2 TRP A 49 -3.807 -1.194 17.110 1.00 0.00 C ATOM 0 H TRP A 49 -5.304 3.864 11.934 1.00 0.00 H new ATOM 0 HA TRP A 49 -3.194 1.848 11.344 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -5.431 1.933 13.139 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -5.630 0.633 11.980 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -2.296 0.122 11.854 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -1.196 -1.248 13.762 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -5.992 0.737 15.267 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -1.890 -1.951 16.425 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -5.702 -0.325 17.495 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -3.738 -1.632 18.095 1.00 0.00 H new ATOM 842 N HIS A 50 -6.091 2.353 9.834 1.00 0.00 N ATOM 843 CA HIS A 50 -6.791 2.206 8.569 1.00 0.00 C ATOM 844 C HIS A 50 -5.844 2.543 7.416 1.00 0.00 C ATOM 845 O HIS A 50 -5.783 1.816 6.426 1.00 0.00 O ATOM 846 CB HIS A 50 -8.068 3.050 8.553 1.00 0.00 C ATOM 847 CG HIS A 50 -9.311 2.276 8.184 1.00 0.00 C ATOM 848 ND1 HIS A 50 -9.959 2.434 6.971 1.00 0.00 N ATOM 849 CD2 HIS A 50 -10.016 1.338 8.878 1.00 0.00 C ATOM 850 CE1 HIS A 50 -11.007 1.623 6.949 1.00 0.00 C ATOM 851 NE2 HIS A 50 -11.041 0.945 8.132 1.00 0.00 N ATOM 0 H HIS A 50 -6.634 2.801 10.572 1.00 0.00 H new ATOM 0 HA HIS A 50 -7.107 1.171 8.443 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -8.209 3.496 9.538 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -7.940 3.870 7.847 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -9.780 0.976 9.868 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -11.711 1.517 6.137 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -11.739 0.251 8.399 1.00 0.00 H new ATOM 859 N ASN A 51 -5.128 3.645 7.583 1.00 0.00 N ATOM 860 CA ASN A 51 -4.186 4.087 6.568 1.00 0.00 C ATOM 861 C ASN A 51 -2.761 3.957 7.110 1.00 0.00 C ATOM 862 O ASN A 51 -2.482 3.081 7.927 1.00 0.00 O ATOM 863 CB ASN A 51 -4.421 5.553 6.200 1.00 0.00 C ATOM 864 CG ASN A 51 -5.909 5.833 5.981 1.00 0.00 C ATOM 865 OD1 ASN A 51 -6.624 5.862 7.102 1.00 0.00 O flip ATOM 866 ND2 ASN A 51 -6.376 6.010 4.869 1.00 0.00 N flip ATOM 0 H ASN A 51 -5.181 4.245 8.406 1.00 0.00 H new ATOM 0 HA ASN A 51 -4.327 3.466 5.683 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -4.039 6.196 6.993 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -3.864 5.798 5.295 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -5.770 5.974 4.050 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -7.373 6.194 4.758 1.00 0.00 H new ATOM 1023 N SER A 61 11.900 3.716 -9.394 1.00 0.00 N ATOM 1024 CA SER A 61 12.867 2.632 -9.358 1.00 0.00 C ATOM 1025 C SER A 61 12.176 1.304 -9.675 1.00 0.00 C ATOM 1026 O SER A 61 11.196 1.272 -10.419 1.00 0.00 O ATOM 1027 CB SER A 61 13.560 2.557 -7.996 1.00 0.00 C ATOM 1028 OG SER A 61 12.799 1.811 -7.050 1.00 0.00 O ATOM 0 HA SER A 61 13.629 2.828 -10.113 1.00 0.00 H new ATOM 0 HB2 SER A 61 14.542 2.099 -8.114 1.00 0.00 H new ATOM 0 HB3 SER A 61 13.723 3.566 -7.616 1.00 0.00 H new ATOM 0 HG SER A 61 13.276 1.785 -6.194 1.00 0.00 H new ATOM 1034 N TRP A 62 12.713 0.241 -9.096 1.00 0.00 N ATOM 1035 CA TRP A 62 12.160 -1.086 -9.307 1.00 0.00 C ATOM 1036 C TRP A 62 10.734 -1.098 -8.754 1.00 0.00 C ATOM 1037 O TRP A 62 10.245 -0.080 -8.266 1.00 0.00 O ATOM 1038 CB TRP A 62 13.053 -2.159 -8.681 1.00 0.00 C ATOM 1039 CG TRP A 62 14.441 -2.262 -9.317 1.00 0.00 C ATOM 1040 CD1 TRP A 62 15.574 -1.661 -8.929 1.00 0.00 C ATOM 1041 CD2 TRP A 62 14.799 -3.042 -10.478 1.00 0.00 C ATOM 1042 NE1 TRP A 62 16.631 -1.994 -9.750 1.00 0.00 N ATOM 1043 CE2 TRP A 62 16.145 -2.861 -10.723 1.00 0.00 C ATOM 1044 CE3 TRP A 62 14.011 -3.873 -11.294 1.00 0.00 C ATOM 1045 CZ2 TRP A 62 16.821 -3.478 -11.782 1.00 0.00 C ATOM 1046 CZ3 TRP A 62 14.702 -4.482 -12.349 1.00 0.00 C ATOM 1047 CH2 TRP A 62 16.057 -4.310 -12.608 1.00 0.00 C ATOM 0 H TRP A 62 13.526 0.271 -8.480 1.00 0.00 H new ATOM 0 HA TRP A 62 12.123 -1.323 -10.370 1.00 0.00 H new ATOM 0 HB2 TRP A 62 13.167 -1.948 -7.618 1.00 0.00 H new ATOM 0 HB3 TRP A 62 12.555 -3.125 -8.763 1.00 0.00 H new ATOM 0 HD1 TRP A 62 15.650 -0.999 -8.079 1.00 0.00 H new ATOM 0 HE1 TRP A 62 17.592 -1.665 -9.660 1.00 0.00 H new ATOM 0 HE3 TRP A 62 12.956 -4.029 -11.121 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 17.876 -3.320 -11.952 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 14.143 -5.131 -13.007 1.00 0.00 H new ATOM 0 HH2 TRP A 62 16.518 -4.816 -13.443 1.00 0.00 H new ATOM 1058 N THR A 63 10.106 -2.261 -8.848 1.00 0.00 N ATOM 1059 CA THR A 63 8.746 -2.419 -8.362 1.00 0.00 C ATOM 1060 C THR A 63 8.685 -3.511 -7.293 1.00 0.00 C ATOM 1061 O THR A 63 9.717 -3.951 -6.790 1.00 0.00 O ATOM 1062 CB THR A 63 7.843 -2.696 -9.566 1.00 0.00 C ATOM 1063 OG1 THR A 63 8.708 -3.317 -10.513 1.00 0.00 O ATOM 1064 CG2 THR A 63 7.387 -1.413 -10.264 1.00 0.00 C ATOM 0 H THR A 63 10.514 -3.103 -9.254 1.00 0.00 H new ATOM 0 HA THR A 63 8.392 -1.511 -7.874 1.00 0.00 H new ATOM 0 HB THR A 63 6.970 -3.263 -9.242 1.00 0.00 H new ATOM 0 HG1 THR A 63 8.441 -3.057 -11.419 1.00 0.00 H new ATOM 0 HG21 THR A 63 6.749 -1.666 -11.111 1.00 0.00 H new ATOM 0 HG22 THR A 63 6.828 -0.795 -9.561 1.00 0.00 H new ATOM 0 HG23 THR A 63 8.258 -0.862 -10.618 1.00 0.00 H new ATOM 1072 N GLU A 64 7.464 -3.918 -6.977 1.00 0.00 N ATOM 1073 CA GLU A 64 7.254 -4.951 -5.977 1.00 0.00 C ATOM 1074 C GLU A 64 7.549 -6.331 -6.568 1.00 0.00 C ATOM 1075 O GLU A 64 8.605 -6.906 -6.314 1.00 0.00 O ATOM 1076 CB GLU A 64 5.833 -4.888 -5.413 1.00 0.00 C ATOM 1077 CG GLU A 64 5.753 -3.912 -4.237 1.00 0.00 C ATOM 1078 CD GLU A 64 5.580 -4.661 -2.914 1.00 0.00 C ATOM 1079 OE1 GLU A 64 4.964 -5.748 -2.953 1.00 0.00 O ATOM 1080 OE2 GLU A 64 6.068 -4.130 -1.893 1.00 0.00 O ATOM 0 H GLU A 64 6.610 -3.551 -7.396 1.00 0.00 H new ATOM 0 HA GLU A 64 7.945 -4.776 -5.152 1.00 0.00 H new ATOM 0 HB2 GLU A 64 5.141 -4.578 -6.196 1.00 0.00 H new ATOM 0 HB3 GLU A 64 5.522 -5.881 -5.088 1.00 0.00 H new ATOM 0 HG2 GLU A 64 6.658 -3.306 -4.200 1.00 0.00 H new ATOM 0 HG3 GLU A 64 4.917 -3.228 -4.384 1.00 0.00 H new ATOM 1087 N GLU A 65 6.595 -6.821 -7.346 1.00 0.00 N ATOM 1088 CA GLU A 65 6.739 -8.123 -7.976 1.00 0.00 C ATOM 1089 C GLU A 65 8.137 -8.268 -8.580 1.00 0.00 C ATOM 1090 O GLU A 65 8.697 -9.363 -8.600 1.00 0.00 O ATOM 1091 CB GLU A 65 5.658 -8.341 -9.037 1.00 0.00 C ATOM 1092 CG GLU A 65 4.263 -8.325 -8.409 1.00 0.00 C ATOM 1093 CD GLU A 65 3.349 -9.354 -9.076 1.00 0.00 C ATOM 1094 OE1 GLU A 65 2.993 -9.120 -10.252 1.00 0.00 O ATOM 1095 OE2 GLU A 65 3.026 -10.352 -8.396 1.00 0.00 O ATOM 0 H GLU A 65 5.720 -6.340 -7.554 1.00 0.00 H new ATOM 0 HA GLU A 65 6.613 -8.891 -7.213 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.727 -7.563 -9.797 1.00 0.00 H new ATOM 0 HB3 GLU A 65 5.824 -9.294 -9.540 1.00 0.00 H new ATOM 0 HG2 GLU A 65 4.338 -8.537 -7.343 1.00 0.00 H new ATOM 0 HG3 GLU A 65 3.828 -7.330 -8.506 1.00 0.00 H new ATOM 1102 N GLU A 66 8.660 -7.149 -9.058 1.00 0.00 N ATOM 1103 CA GLU A 66 9.982 -7.138 -9.661 1.00 0.00 C ATOM 1104 C GLU A 66 11.043 -7.500 -8.620 1.00 0.00 C ATOM 1105 O GLU A 66 12.023 -8.172 -8.936 1.00 0.00 O ATOM 1106 CB GLU A 66 10.281 -5.781 -10.302 1.00 0.00 C ATOM 1107 CG GLU A 66 9.691 -5.697 -11.711 1.00 0.00 C ATOM 1108 CD GLU A 66 10.665 -5.017 -12.674 1.00 0.00 C ATOM 1109 OE1 GLU A 66 11.532 -5.741 -13.209 1.00 0.00 O ATOM 1110 OE2 GLU A 66 10.521 -3.789 -12.853 1.00 0.00 O ATOM 0 H GLU A 66 8.192 -6.243 -9.040 1.00 0.00 H new ATOM 0 HA GLU A 66 10.006 -7.888 -10.451 1.00 0.00 H new ATOM 0 HB2 GLU A 66 9.869 -4.984 -9.683 1.00 0.00 H new ATOM 0 HB3 GLU A 66 11.359 -5.625 -10.346 1.00 0.00 H new ATOM 0 HG2 GLU A 66 9.458 -6.699 -12.072 1.00 0.00 H new ATOM 0 HG3 GLU A 66 8.754 -5.142 -11.684 1.00 0.00 H new ATOM 1117 N ASP A 67 10.811 -7.037 -7.401 1.00 0.00 N ATOM 1118 CA ASP A 67 11.735 -7.303 -6.311 1.00 0.00 C ATOM 1119 C ASP A 67 11.641 -8.778 -5.917 1.00 0.00 C ATOM 1120 O ASP A 67 12.655 -9.471 -5.845 1.00 0.00 O ATOM 1121 CB ASP A 67 11.392 -6.462 -5.080 1.00 0.00 C ATOM 1122 CG ASP A 67 12.593 -6.032 -4.236 1.00 0.00 C ATOM 1123 OD1 ASP A 67 13.164 -6.920 -3.566 1.00 0.00 O ATOM 1124 OD2 ASP A 67 12.913 -4.824 -4.279 1.00 0.00 O ATOM 0 H ASP A 67 9.997 -6.479 -7.143 1.00 0.00 H new ATOM 0 HA ASP A 67 12.739 -7.051 -6.651 1.00 0.00 H new ATOM 0 HB2 ASP A 67 10.858 -5.570 -5.406 1.00 0.00 H new ATOM 0 HB3 ASP A 67 10.708 -7.030 -4.449 1.00 0.00 H new ATOM 1129 N ARG A 68 10.415 -9.216 -5.673 1.00 0.00 N ATOM 1130 CA ARG A 68 10.175 -10.596 -5.288 1.00 0.00 C ATOM 1131 C ARG A 68 10.659 -11.545 -6.387 1.00 0.00 C ATOM 1132 O ARG A 68 11.561 -12.350 -6.163 1.00 0.00 O ATOM 1133 CB ARG A 68 8.688 -10.845 -5.027 1.00 0.00 C ATOM 1134 CG ARG A 68 8.254 -10.225 -3.698 1.00 0.00 C ATOM 1135 CD ARG A 68 6.988 -10.901 -3.165 1.00 0.00 C ATOM 1136 NE ARG A 68 7.254 -12.332 -2.894 1.00 0.00 N ATOM 1137 CZ ARG A 68 6.332 -13.196 -2.450 1.00 0.00 C ATOM 1138 NH1 ARG A 68 5.078 -12.781 -2.224 1.00 0.00 N ATOM 1139 NH2 ARG A 68 6.664 -14.476 -2.231 1.00 0.00 N ATOM 0 H ARG A 68 9.576 -8.639 -5.735 1.00 0.00 H new ATOM 0 HA ARG A 68 10.730 -10.785 -4.369 1.00 0.00 H new ATOM 0 HB2 ARG A 68 8.097 -10.423 -5.840 1.00 0.00 H new ATOM 0 HB3 ARG A 68 8.492 -11.917 -5.014 1.00 0.00 H new ATOM 0 HG2 ARG A 68 9.057 -10.322 -2.968 1.00 0.00 H new ATOM 0 HG3 ARG A 68 8.072 -9.159 -3.832 1.00 0.00 H new ATOM 0 HD2 ARG A 68 6.658 -10.405 -2.252 1.00 0.00 H new ATOM 0 HD3 ARG A 68 6.181 -10.804 -3.891 1.00 0.00 H new ATOM 0 HE ARG A 68 8.198 -12.682 -3.056 1.00 0.00 H new ATOM 0 HH11 ARG A 68 4.825 -11.807 -2.390 1.00 0.00 H new ATOM 0 HH12 ARG A 68 4.376 -13.439 -1.886 1.00 0.00 H new ATOM 0 HH21 ARG A 68 7.619 -14.792 -2.402 1.00 0.00 H new ATOM 0 HH22 ARG A 68 5.962 -15.134 -1.893 1.00 0.00 H new ATOM 1153 N ILE A 69 10.038 -11.418 -7.550 1.00 0.00 N ATOM 1154 CA ILE A 69 10.394 -12.254 -8.684 1.00 0.00 C ATOM 1155 C ILE A 69 11.912 -12.437 -8.720 1.00 0.00 C ATOM 1156 O ILE A 69 12.417 -13.523 -8.441 1.00 0.00 O ATOM 1157 CB ILE A 69 9.812 -11.679 -9.977 1.00 0.00 C ATOM 1158 CG1 ILE A 69 8.290 -11.828 -10.007 1.00 0.00 C ATOM 1159 CG2 ILE A 69 10.475 -12.309 -11.204 1.00 0.00 C ATOM 1160 CD1 ILE A 69 7.711 -11.279 -11.313 1.00 0.00 C ATOM 0 H ILE A 69 9.290 -10.749 -7.732 1.00 0.00 H new ATOM 0 HA ILE A 69 9.956 -13.246 -8.579 1.00 0.00 H new ATOM 0 HB ILE A 69 10.031 -10.612 -10.006 1.00 0.00 H new ATOM 0 HG12 ILE A 69 8.022 -12.879 -9.900 1.00 0.00 H new ATOM 0 HG13 ILE A 69 7.852 -11.299 -9.160 1.00 0.00 H new ATOM 0 HG21 ILE A 69 10.043 -11.883 -12.110 1.00 0.00 H new ATOM 0 HG22 ILE A 69 11.546 -12.107 -11.183 1.00 0.00 H new ATOM 0 HG23 ILE A 69 10.309 -13.386 -11.195 1.00 0.00 H new ATOM 0 HD11 ILE A 69 6.627 -11.397 -11.309 1.00 0.00 H new ATOM 0 HD12 ILE A 69 7.960 -10.222 -11.406 1.00 0.00 H new ATOM 0 HD13 ILE A 69 8.132 -11.826 -12.156 1.00 0.00 H new ATOM 1172 N ILE A 70 12.598 -11.357 -9.067 1.00 0.00 N ATOM 1173 CA ILE A 70 14.049 -11.385 -9.144 1.00 0.00 C ATOM 1174 C ILE A 70 14.610 -12.031 -7.876 1.00 0.00 C ATOM 1175 O ILE A 70 15.462 -12.915 -7.950 1.00 0.00 O ATOM 1176 CB ILE A 70 14.598 -9.982 -9.414 1.00 0.00 C ATOM 1177 CG1 ILE A 70 13.969 -9.380 -10.672 1.00 0.00 C ATOM 1178 CG2 ILE A 70 16.126 -9.996 -9.487 1.00 0.00 C ATOM 1179 CD1 ILE A 70 14.543 -7.992 -10.961 1.00 0.00 C ATOM 0 H ILE A 70 12.176 -10.458 -9.298 1.00 0.00 H new ATOM 0 HA ILE A 70 14.374 -11.997 -9.985 1.00 0.00 H new ATOM 0 HB ILE A 70 14.322 -9.340 -8.578 1.00 0.00 H new ATOM 0 HG12 ILE A 70 14.150 -10.037 -11.523 1.00 0.00 H new ATOM 0 HG13 ILE A 70 12.889 -9.312 -10.546 1.00 0.00 H new ATOM 0 HG21 ILE A 70 16.490 -8.987 -9.680 1.00 0.00 H new ATOM 0 HG22 ILE A 70 16.532 -10.354 -8.541 1.00 0.00 H new ATOM 0 HG23 ILE A 70 16.446 -10.657 -10.292 1.00 0.00 H new ATOM 0 HD11 ILE A 70 14.079 -7.586 -11.860 1.00 0.00 H new ATOM 0 HD12 ILE A 70 14.339 -7.331 -10.118 1.00 0.00 H new ATOM 0 HD13 ILE A 70 15.620 -8.068 -11.111 1.00 0.00 H new ATOM 1191 N PHE A 71 14.110 -11.565 -6.741 1.00 0.00 N ATOM 1192 CA PHE A 71 14.551 -12.087 -5.459 1.00 0.00 C ATOM 1193 C PHE A 71 14.271 -13.587 -5.352 1.00 0.00 C ATOM 1194 O PHE A 71 14.792 -14.257 -4.462 1.00 0.00 O ATOM 1195 CB PHE A 71 13.752 -11.353 -4.379 1.00 0.00 C ATOM 1196 CG PHE A 71 13.850 -11.991 -2.992 1.00 0.00 C ATOM 1197 CD1 PHE A 71 14.915 -11.717 -2.191 1.00 0.00 C ATOM 1198 CD2 PHE A 71 12.872 -12.831 -2.559 1.00 0.00 C ATOM 1199 CE1 PHE A 71 15.006 -12.309 -0.903 1.00 0.00 C ATOM 1200 CE2 PHE A 71 12.963 -13.423 -1.271 1.00 0.00 C ATOM 1201 CZ PHE A 71 14.028 -13.149 -0.471 1.00 0.00 C ATOM 0 H PHE A 71 13.404 -10.832 -6.683 1.00 0.00 H new ATOM 0 HA PHE A 71 15.624 -11.936 -5.345 1.00 0.00 H new ATOM 0 HB2 PHE A 71 14.102 -10.323 -4.319 1.00 0.00 H new ATOM 0 HB3 PHE A 71 12.704 -11.317 -4.678 1.00 0.00 H new ATOM 0 HD1 PHE A 71 15.691 -11.049 -2.534 1.00 0.00 H new ATOM 0 HD2 PHE A 71 12.026 -13.048 -3.194 1.00 0.00 H new ATOM 0 HE1 PHE A 71 15.852 -12.092 -0.267 1.00 0.00 H new ATOM 0 HE2 PHE A 71 12.187 -14.090 -0.927 1.00 0.00 H new ATOM 0 HZ PHE A 71 14.097 -13.599 0.508 1.00 0.00 H new ATOM 1211 N GLU A 72 13.449 -14.070 -6.272 1.00 0.00 N ATOM 1212 CA GLU A 72 13.094 -15.479 -6.292 1.00 0.00 C ATOM 1213 C GLU A 72 13.222 -16.038 -7.710 1.00 0.00 C ATOM 1214 O GLU A 72 12.602 -17.048 -8.042 1.00 0.00 O ATOM 1215 CB GLU A 72 11.683 -15.697 -5.742 1.00 0.00 C ATOM 1216 CG GLU A 72 10.626 -15.229 -6.745 1.00 0.00 C ATOM 1217 CD GLU A 72 9.228 -15.263 -6.123 1.00 0.00 C ATOM 1218 OE1 GLU A 72 9.131 -14.923 -4.924 1.00 0.00 O ATOM 1219 OE2 GLU A 72 8.287 -15.629 -6.861 1.00 0.00 O ATOM 0 H GLU A 72 13.019 -13.511 -7.009 1.00 0.00 H new ATOM 0 HA GLU A 72 13.787 -16.018 -5.646 1.00 0.00 H new ATOM 0 HB2 GLU A 72 11.535 -16.754 -5.518 1.00 0.00 H new ATOM 0 HB3 GLU A 72 11.566 -15.153 -4.805 1.00 0.00 H new ATOM 0 HG2 GLU A 72 10.856 -14.216 -7.076 1.00 0.00 H new ATOM 0 HG3 GLU A 72 10.650 -15.866 -7.629 1.00 0.00 H new ATOM 1226 N ALA A 73 14.030 -15.358 -8.509 1.00 0.00 N ATOM 1227 CA ALA A 73 14.248 -15.774 -9.884 1.00 0.00 C ATOM 1228 C ALA A 73 15.730 -16.093 -10.088 1.00 0.00 C ATOM 1229 O ALA A 73 16.105 -16.710 -11.084 1.00 0.00 O ATOM 1230 CB ALA A 73 13.751 -14.682 -10.833 1.00 0.00 C ATOM 0 H ALA A 73 14.542 -14.521 -8.231 1.00 0.00 H new ATOM 0 HA ALA A 73 13.683 -16.680 -10.104 1.00 0.00 H new ATOM 0 HB1 ALA A 73 13.915 -14.994 -11.864 1.00 0.00 H new ATOM 0 HB2 ALA A 73 12.687 -14.514 -10.669 1.00 0.00 H new ATOM 0 HB3 ALA A 73 14.297 -13.758 -10.643 1.00 0.00 H new ATOM 1236 N HIS A 74 16.533 -15.659 -9.127 1.00 0.00 N ATOM 1237 CA HIS A 74 17.967 -15.891 -9.188 1.00 0.00 C ATOM 1238 C HIS A 74 18.280 -17.303 -8.690 1.00 0.00 C ATOM 1239 O HIS A 74 19.212 -17.944 -9.174 1.00 0.00 O ATOM 1240 CB HIS A 74 18.725 -14.809 -8.418 1.00 0.00 C ATOM 1241 CG HIS A 74 20.149 -14.608 -8.881 1.00 0.00 C ATOM 1242 ND1 HIS A 74 21.244 -14.963 -8.113 1.00 0.00 N ATOM 1243 CD2 HIS A 74 20.644 -14.088 -10.041 1.00 0.00 C ATOM 1244 CE1 HIS A 74 22.343 -14.664 -8.789 1.00 0.00 C ATOM 1245 NE2 HIS A 74 21.969 -14.122 -9.983 1.00 0.00 N ATOM 0 H HIS A 74 16.218 -15.148 -8.302 1.00 0.00 H new ATOM 0 HA HIS A 74 18.306 -15.825 -10.222 1.00 0.00 H new ATOM 0 HB2 HIS A 74 18.187 -13.866 -8.512 1.00 0.00 H new ATOM 0 HB3 HIS A 74 18.731 -15.068 -7.359 1.00 0.00 H new ATOM 0 HD1 HIS A 74 21.210 -15.383 -7.184 1.00 0.00 H new ATOM 0 HD2 HIS A 74 20.057 -13.713 -10.866 1.00 0.00 H new ATOM 0 HE1 HIS A 74 23.357 -14.822 -8.453 1.00 0.00 H new ATOM 1253 N LYS A 75 17.483 -17.747 -7.729 1.00 0.00 N ATOM 1254 CA LYS A 75 17.663 -19.072 -7.160 1.00 0.00 C ATOM 1255 C LYS A 75 16.869 -20.089 -7.983 1.00 0.00 C ATOM 1256 O LYS A 75 16.710 -21.237 -7.572 1.00 0.00 O ATOM 1257 CB LYS A 75 17.304 -19.070 -5.673 1.00 0.00 C ATOM 1258 CG LYS A 75 15.996 -18.316 -5.426 1.00 0.00 C ATOM 1259 CD LYS A 75 15.401 -18.681 -4.065 1.00 0.00 C ATOM 1260 CE LYS A 75 14.543 -19.944 -4.163 1.00 0.00 C ATOM 1261 NZ LYS A 75 15.336 -21.140 -3.801 1.00 0.00 N ATOM 0 H LYS A 75 16.711 -17.213 -7.330 1.00 0.00 H new ATOM 0 HA LYS A 75 18.711 -19.369 -7.211 1.00 0.00 H new ATOM 0 HB2 LYS A 75 17.210 -20.096 -5.317 1.00 0.00 H new ATOM 0 HB3 LYS A 75 18.108 -18.607 -5.102 1.00 0.00 H new ATOM 0 HG2 LYS A 75 16.177 -17.242 -5.471 1.00 0.00 H new ATOM 0 HG3 LYS A 75 15.281 -18.552 -6.214 1.00 0.00 H new ATOM 0 HD2 LYS A 75 16.203 -18.837 -3.343 1.00 0.00 H new ATOM 0 HD3 LYS A 75 14.796 -17.854 -3.695 1.00 0.00 H new ATOM 0 HE2 LYS A 75 13.682 -19.858 -3.501 1.00 0.00 H new ATOM 0 HE3 LYS A 75 14.156 -20.050 -5.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 15.604 -21.653 -4.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 16.194 -20.847 -3.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 14.767 -21.762 -3.192 1.00 0.00 H new ATOM 1275 N VAL A 76 16.392 -19.629 -9.131 1.00 0.00 N ATOM 1276 CA VAL A 76 15.619 -20.484 -10.016 1.00 0.00 C ATOM 1277 C VAL A 76 16.412 -20.732 -11.300 1.00 0.00 C ATOM 1278 O VAL A 76 16.208 -21.740 -11.975 1.00 0.00 O ATOM 1279 CB VAL A 76 14.244 -19.864 -10.272 1.00 0.00 C ATOM 1280 CG1 VAL A 76 13.250 -20.918 -10.764 1.00 0.00 C ATOM 1281 CG2 VAL A 76 13.719 -19.158 -9.020 1.00 0.00 C ATOM 0 H VAL A 76 16.526 -18.676 -9.468 1.00 0.00 H new ATOM 0 HA VAL A 76 15.442 -21.454 -9.552 1.00 0.00 H new ATOM 0 HB VAL A 76 14.355 -19.116 -11.057 1.00 0.00 H new ATOM 0 HG11 VAL A 76 12.281 -20.451 -10.938 1.00 0.00 H new ATOM 0 HG12 VAL A 76 13.614 -21.356 -11.693 1.00 0.00 H new ATOM 0 HG13 VAL A 76 13.146 -21.699 -10.011 1.00 0.00 H new ATOM 0 HG21 VAL A 76 12.740 -18.726 -9.229 1.00 0.00 H new ATOM 0 HG22 VAL A 76 13.632 -19.878 -8.206 1.00 0.00 H new ATOM 0 HG23 VAL A 76 14.411 -18.367 -8.732 1.00 0.00 H new ATOM 1291 N LEU A 77 17.299 -19.795 -11.600 1.00 0.00 N ATOM 1292 CA LEU A 77 18.124 -19.899 -12.792 1.00 0.00 C ATOM 1293 C LEU A 77 19.582 -19.618 -12.425 1.00 0.00 C ATOM 1294 O LEU A 77 20.393 -20.539 -12.338 1.00 0.00 O ATOM 1295 CB LEU A 77 17.582 -18.992 -13.899 1.00 0.00 C ATOM 1296 CG LEU A 77 16.063 -18.816 -13.939 1.00 0.00 C ATOM 1297 CD1 LEU A 77 15.685 -17.338 -14.049 1.00 0.00 C ATOM 1298 CD2 LEU A 77 15.444 -19.652 -15.061 1.00 0.00 C ATOM 0 H LEU A 77 17.465 -18.960 -11.038 1.00 0.00 H new ATOM 0 HA LEU A 77 18.086 -20.911 -13.194 1.00 0.00 H new ATOM 0 HB2 LEU A 77 18.039 -18.008 -13.791 1.00 0.00 H new ATOM 0 HB3 LEU A 77 17.907 -19.391 -14.860 1.00 0.00 H new ATOM 0 HG LEU A 77 15.651 -19.184 -12.999 1.00 0.00 H new ATOM 0 HD11 LEU A 77 14.600 -17.241 -14.076 1.00 0.00 H new ATOM 0 HD12 LEU A 77 16.077 -16.797 -13.187 1.00 0.00 H new ATOM 0 HD13 LEU A 77 16.109 -16.921 -14.962 1.00 0.00 H new ATOM 0 HD21 LEU A 77 14.363 -19.509 -15.068 1.00 0.00 H new ATOM 0 HD22 LEU A 77 15.858 -19.338 -16.019 1.00 0.00 H new ATOM 0 HD23 LEU A 77 15.669 -20.706 -14.896 1.00 0.00 H new ATOM 1310 N GLY A 78 19.871 -18.341 -12.218 1.00 0.00 N ATOM 1311 CA GLY A 78 21.217 -17.927 -11.862 1.00 0.00 C ATOM 1312 C GLY A 78 21.419 -16.433 -12.122 1.00 0.00 C ATOM 1313 O GLY A 78 20.516 -15.631 -11.887 1.00 0.00 O ATOM 0 H GLY A 78 19.196 -17.580 -12.290 1.00 0.00 H new ATOM 0 HA2 GLY A 78 21.402 -18.145 -10.810 1.00 0.00 H new ATOM 0 HA3 GLY A 78 21.942 -18.501 -12.439 1.00 0.00 H new ATOM 1317 N ASN A 79 22.608 -16.104 -12.605 1.00 0.00 N ATOM 1318 CA ASN A 79 22.939 -14.720 -12.900 1.00 0.00 C ATOM 1319 C ASN A 79 22.590 -14.417 -14.359 1.00 0.00 C ATOM 1320 O ASN A 79 23.103 -13.461 -14.938 1.00 0.00 O ATOM 1321 CB ASN A 79 24.434 -14.458 -12.708 1.00 0.00 C ATOM 1322 CG ASN A 79 25.181 -15.755 -12.391 1.00 0.00 C ATOM 1323 OD1 ASN A 79 25.115 -16.733 -13.117 1.00 0.00 O ATOM 1324 ND2 ASN A 79 25.893 -15.708 -11.269 1.00 0.00 N ATOM 0 H ASN A 79 23.354 -16.772 -12.799 1.00 0.00 H new ATOM 0 HA ASN A 79 22.371 -14.085 -12.220 1.00 0.00 H new ATOM 0 HB2 ASN A 79 24.847 -14.008 -13.611 1.00 0.00 H new ATOM 0 HB3 ASN A 79 24.581 -13.742 -11.899 1.00 0.00 H new ATOM 0 HD21 ASN A 79 26.428 -16.523 -10.970 1.00 0.00 H new ATOM 0 HD22 ASN A 79 25.904 -14.857 -10.708 1.00 0.00 H new ATOM 1331 N ARG A 80 21.719 -15.249 -14.911 1.00 0.00 N ATOM 1332 CA ARG A 80 21.295 -15.081 -16.291 1.00 0.00 C ATOM 1333 C ARG A 80 20.370 -13.870 -16.419 1.00 0.00 C ATOM 1334 O ARG A 80 19.300 -13.962 -17.018 1.00 0.00 O ATOM 1335 CB ARG A 80 20.566 -16.327 -16.798 1.00 0.00 C ATOM 1336 CG ARG A 80 19.388 -16.682 -15.887 1.00 0.00 C ATOM 1337 CD ARG A 80 18.391 -17.590 -16.609 1.00 0.00 C ATOM 1338 NE ARG A 80 19.046 -18.863 -16.985 1.00 0.00 N ATOM 1339 CZ ARG A 80 19.592 -19.101 -18.186 1.00 0.00 C ATOM 1340 NH1 ARG A 80 19.564 -18.155 -19.134 1.00 0.00 N ATOM 1341 NH2 ARG A 80 20.165 -20.286 -18.438 1.00 0.00 N ATOM 0 H ARG A 80 21.295 -16.041 -14.428 1.00 0.00 H new ATOM 0 HA ARG A 80 22.188 -14.925 -16.896 1.00 0.00 H new ATOM 0 HB2 ARG A 80 20.207 -16.155 -17.813 1.00 0.00 H new ATOM 0 HB3 ARG A 80 21.261 -17.166 -16.844 1.00 0.00 H new ATOM 0 HG2 ARG A 80 19.755 -17.180 -14.989 1.00 0.00 H new ATOM 0 HG3 ARG A 80 18.886 -15.770 -15.563 1.00 0.00 H new ATOM 0 HD2 ARG A 80 17.535 -17.789 -15.965 1.00 0.00 H new ATOM 0 HD3 ARG A 80 18.010 -17.090 -17.500 1.00 0.00 H new ATOM 0 HE ARG A 80 19.084 -19.606 -16.287 1.00 0.00 H new ATOM 0 HH11 ARG A 80 19.127 -17.253 -18.942 1.00 0.00 H new ATOM 0 HH12 ARG A 80 19.979 -18.336 -20.048 1.00 0.00 H new ATOM 0 HH21 ARG A 80 20.186 -21.006 -17.716 1.00 0.00 H new ATOM 0 HH22 ARG A 80 20.581 -20.468 -19.352 1.00 0.00 H new ATOM 1355 N TRP A 81 20.817 -12.761 -15.846 1.00 0.00 N ATOM 1356 CA TRP A 81 20.042 -11.532 -15.889 1.00 0.00 C ATOM 1357 C TRP A 81 19.425 -11.411 -17.284 1.00 0.00 C ATOM 1358 O TRP A 81 18.313 -10.907 -17.432 1.00 0.00 O ATOM 1359 CB TRP A 81 20.905 -10.327 -15.510 1.00 0.00 C ATOM 1360 CG TRP A 81 21.930 -10.616 -14.411 1.00 0.00 C ATOM 1361 CD1 TRP A 81 23.266 -10.620 -14.510 1.00 0.00 C ATOM 1362 CD2 TRP A 81 21.645 -10.945 -13.035 1.00 0.00 C ATOM 1363 NE1 TRP A 81 23.861 -10.926 -13.303 1.00 0.00 N ATOM 1364 CE2 TRP A 81 22.844 -11.130 -12.378 1.00 0.00 C ATOM 1365 CE3 TRP A 81 20.415 -11.083 -12.368 1.00 0.00 C ATOM 1366 CZ2 TRP A 81 22.931 -11.463 -11.021 1.00 0.00 C ATOM 1367 CZ3 TRP A 81 20.519 -11.415 -11.012 1.00 0.00 C ATOM 1368 CH2 TRP A 81 21.718 -11.605 -10.336 1.00 0.00 C ATOM 0 H TRP A 81 21.705 -12.688 -15.350 1.00 0.00 H new ATOM 0 HA TRP A 81 19.238 -11.557 -15.154 1.00 0.00 H new ATOM 0 HB2 TRP A 81 21.430 -9.975 -16.398 1.00 0.00 H new ATOM 0 HB3 TRP A 81 20.255 -9.516 -15.182 1.00 0.00 H new ATOM 0 HD1 TRP A 81 23.809 -10.410 -15.420 1.00 0.00 H new ATOM 0 HE1 TRP A 81 24.863 -10.991 -13.123 1.00 0.00 H new ATOM 0 HE3 TRP A 81 19.465 -10.944 -12.863 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 23.882 -11.603 -10.529 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 19.603 -11.532 -10.452 1.00 0.00 H new ATOM 0 HH2 TRP A 81 21.714 -11.861 -9.287 1.00 0.00 H new ATOM 1379 N ALA A 82 20.174 -11.881 -18.270 1.00 0.00 N ATOM 1380 CA ALA A 82 19.714 -11.831 -19.648 1.00 0.00 C ATOM 1381 C ALA A 82 18.265 -12.316 -19.715 1.00 0.00 C ATOM 1382 O ALA A 82 17.531 -11.966 -20.638 1.00 0.00 O ATOM 1383 CB ALA A 82 20.649 -12.663 -20.529 1.00 0.00 C ATOM 0 H ALA A 82 21.096 -12.298 -18.143 1.00 0.00 H new ATOM 0 HA ALA A 82 19.737 -10.808 -20.024 1.00 0.00 H new ATOM 0 HB1 ALA A 82 20.304 -12.626 -21.562 1.00 0.00 H new ATOM 0 HB2 ALA A 82 21.660 -12.260 -20.469 1.00 0.00 H new ATOM 0 HB3 ALA A 82 20.650 -13.697 -20.184 1.00 0.00 H new ATOM 1389 N GLU A 83 17.895 -13.115 -18.725 1.00 0.00 N ATOM 1390 CA GLU A 83 16.546 -13.652 -18.660 1.00 0.00 C ATOM 1391 C GLU A 83 15.830 -13.138 -17.410 1.00 0.00 C ATOM 1392 O GLU A 83 14.674 -12.723 -17.478 1.00 0.00 O ATOM 1393 CB GLU A 83 16.563 -15.182 -18.692 1.00 0.00 C ATOM 1394 CG GLU A 83 17.568 -15.697 -19.725 1.00 0.00 C ATOM 1395 CD GLU A 83 17.328 -15.054 -21.092 1.00 0.00 C ATOM 1396 OE1 GLU A 83 16.160 -15.085 -21.537 1.00 0.00 O ATOM 1397 OE2 GLU A 83 18.318 -14.547 -21.662 1.00 0.00 O ATOM 0 H GLU A 83 18.506 -13.404 -17.961 1.00 0.00 H new ATOM 0 HA GLU A 83 15.997 -13.309 -19.537 1.00 0.00 H new ATOM 0 HB2 GLU A 83 16.820 -15.567 -17.705 1.00 0.00 H new ATOM 0 HB3 GLU A 83 15.567 -15.556 -18.930 1.00 0.00 H new ATOM 0 HG2 GLU A 83 18.582 -15.480 -19.390 1.00 0.00 H new ATOM 0 HG3 GLU A 83 17.485 -16.781 -19.809 1.00 0.00 H new ATOM 1404 N ILE A 84 16.547 -13.182 -16.296 1.00 0.00 N ATOM 1405 CA ILE A 84 15.994 -12.726 -15.032 1.00 0.00 C ATOM 1406 C ILE A 84 15.244 -11.411 -15.253 1.00 0.00 C ATOM 1407 O ILE A 84 14.313 -11.091 -14.515 1.00 0.00 O ATOM 1408 CB ILE A 84 17.090 -12.638 -13.968 1.00 0.00 C ATOM 1409 CG1 ILE A 84 16.935 -13.749 -12.928 1.00 0.00 C ATOM 1410 CG2 ILE A 84 17.120 -11.250 -13.325 1.00 0.00 C ATOM 1411 CD1 ILE A 84 18.114 -14.722 -12.986 1.00 0.00 C ATOM 0 H ILE A 84 17.506 -13.526 -16.243 1.00 0.00 H new ATOM 0 HA ILE A 84 15.270 -13.446 -14.651 1.00 0.00 H new ATOM 0 HB ILE A 84 18.053 -12.787 -14.456 1.00 0.00 H new ATOM 0 HG12 ILE A 84 16.868 -13.312 -11.931 1.00 0.00 H new ATOM 0 HG13 ILE A 84 16.004 -14.289 -13.103 1.00 0.00 H new ATOM 0 HG21 ILE A 84 17.908 -11.215 -12.573 1.00 0.00 H new ATOM 0 HG22 ILE A 84 17.315 -10.499 -14.090 1.00 0.00 H new ATOM 0 HG23 ILE A 84 16.159 -11.047 -12.854 1.00 0.00 H new ATOM 0 HD11 ILE A 84 17.979 -15.502 -12.237 1.00 0.00 H new ATOM 0 HD12 ILE A 84 18.164 -15.175 -13.976 1.00 0.00 H new ATOM 0 HD13 ILE A 84 19.040 -14.183 -12.786 1.00 0.00 H new ATOM 1423 N ALA A 85 15.678 -10.684 -16.272 1.00 0.00 N ATOM 1424 CA ALA A 85 15.060 -9.410 -16.600 1.00 0.00 C ATOM 1425 C ALA A 85 13.859 -9.652 -17.517 1.00 0.00 C ATOM 1426 O ALA A 85 12.795 -9.067 -17.320 1.00 0.00 O ATOM 1427 CB ALA A 85 16.100 -8.485 -17.234 1.00 0.00 C ATOM 0 H ALA A 85 16.450 -10.953 -16.882 1.00 0.00 H new ATOM 0 HA ALA A 85 14.694 -8.918 -15.699 1.00 0.00 H new ATOM 0 HB1 ALA A 85 15.636 -7.530 -17.480 1.00 0.00 H new ATOM 0 HB2 ALA A 85 16.917 -8.321 -16.532 1.00 0.00 H new ATOM 0 HB3 ALA A 85 16.489 -8.944 -18.143 1.00 0.00 H new ATOM 1433 N LYS A 86 14.070 -10.516 -18.499 1.00 0.00 N ATOM 1434 CA LYS A 86 13.018 -10.843 -19.447 1.00 0.00 C ATOM 1435 C LYS A 86 11.867 -11.528 -18.708 1.00 0.00 C ATOM 1436 O LYS A 86 11.664 -12.733 -18.848 1.00 0.00 O ATOM 1437 CB LYS A 86 13.580 -11.665 -20.608 1.00 0.00 C ATOM 1438 CG LYS A 86 14.249 -10.762 -21.646 1.00 0.00 C ATOM 1439 CD LYS A 86 14.256 -11.424 -23.025 1.00 0.00 C ATOM 1440 CE LYS A 86 15.653 -11.377 -23.649 1.00 0.00 C ATOM 1441 NZ LYS A 86 15.736 -12.298 -24.805 1.00 0.00 N ATOM 0 H LYS A 86 14.954 -11.000 -18.659 1.00 0.00 H new ATOM 0 HA LYS A 86 12.614 -9.936 -19.896 1.00 0.00 H new ATOM 0 HB2 LYS A 86 14.303 -12.388 -20.230 1.00 0.00 H new ATOM 0 HB3 LYS A 86 12.777 -12.233 -21.078 1.00 0.00 H new ATOM 0 HG2 LYS A 86 13.722 -9.810 -21.699 1.00 0.00 H new ATOM 0 HG3 LYS A 86 15.272 -10.544 -21.338 1.00 0.00 H new ATOM 0 HD2 LYS A 86 13.928 -12.460 -22.937 1.00 0.00 H new ATOM 0 HD3 LYS A 86 13.545 -10.919 -23.678 1.00 0.00 H new ATOM 0 HE2 LYS A 86 15.880 -10.360 -23.970 1.00 0.00 H new ATOM 0 HE3 LYS A 86 16.400 -11.651 -22.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 16.690 -12.254 -25.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 15.540 -13.269 -24.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 15.037 -12.019 -25.522 1.00 0.00 H new ATOM 1455 N LEU A 87 11.142 -10.730 -17.938 1.00 0.00 N ATOM 1456 CA LEU A 87 10.016 -11.245 -17.177 1.00 0.00 C ATOM 1457 C LEU A 87 9.011 -10.117 -16.936 1.00 0.00 C ATOM 1458 O LEU A 87 7.805 -10.315 -17.073 1.00 0.00 O ATOM 1459 CB LEU A 87 10.501 -11.921 -15.893 1.00 0.00 C ATOM 1460 CG LEU A 87 10.708 -13.435 -15.969 1.00 0.00 C ATOM 1461 CD1 LEU A 87 11.744 -13.899 -14.944 1.00 0.00 C ATOM 1462 CD2 LEU A 87 9.379 -14.178 -15.818 1.00 0.00 C ATOM 0 H LEU A 87 11.312 -9.731 -17.825 1.00 0.00 H new ATOM 0 HA LEU A 87 9.497 -12.020 -17.741 1.00 0.00 H new ATOM 0 HB2 LEU A 87 11.443 -11.460 -15.597 1.00 0.00 H new ATOM 0 HB3 LEU A 87 9.781 -11.712 -15.102 1.00 0.00 H new ATOM 0 HG LEU A 87 11.102 -13.677 -16.956 1.00 0.00 H new ATOM 0 HD11 LEU A 87 11.872 -14.979 -15.019 1.00 0.00 H new ATOM 0 HD12 LEU A 87 12.696 -13.406 -15.140 1.00 0.00 H new ATOM 0 HD13 LEU A 87 11.403 -13.643 -13.941 1.00 0.00 H new ATOM 0 HD21 LEU A 87 9.554 -15.252 -15.876 1.00 0.00 H new ATOM 0 HD22 LEU A 87 8.933 -13.934 -14.854 1.00 0.00 H new ATOM 0 HD23 LEU A 87 8.701 -13.877 -16.617 1.00 0.00 H new ATOM 1474 N LEU A 88 9.545 -8.957 -16.581 1.00 0.00 N ATOM 1475 CA LEU A 88 8.710 -7.797 -16.319 1.00 0.00 C ATOM 1476 C LEU A 88 9.100 -6.667 -17.274 1.00 0.00 C ATOM 1477 O LEU A 88 10.256 -6.567 -17.683 1.00 0.00 O ATOM 1478 CB LEU A 88 8.783 -7.407 -14.841 1.00 0.00 C ATOM 1479 CG LEU A 88 8.824 -8.565 -13.843 1.00 0.00 C ATOM 1480 CD1 LEU A 88 10.249 -8.807 -13.342 1.00 0.00 C ATOM 1481 CD2 LEU A 88 7.843 -8.332 -12.692 1.00 0.00 C ATOM 0 H LEU A 88 10.546 -8.796 -16.469 1.00 0.00 H new ATOM 0 HA LEU A 88 7.663 -8.030 -16.512 1.00 0.00 H new ATOM 0 HB2 LEU A 88 9.671 -6.793 -14.691 1.00 0.00 H new ATOM 0 HB3 LEU A 88 7.921 -6.783 -14.607 1.00 0.00 H new ATOM 0 HG LEU A 88 8.506 -9.471 -14.358 1.00 0.00 H new ATOM 0 HD11 LEU A 88 10.250 -9.636 -12.634 1.00 0.00 H new ATOM 0 HD12 LEU A 88 10.895 -9.050 -14.186 1.00 0.00 H new ATOM 0 HD13 LEU A 88 10.619 -7.908 -12.849 1.00 0.00 H new ATOM 0 HD21 LEU A 88 7.892 -9.170 -11.997 1.00 0.00 H new ATOM 0 HD22 LEU A 88 8.106 -7.412 -12.170 1.00 0.00 H new ATOM 0 HD23 LEU A 88 6.831 -8.248 -13.088 1.00 0.00 H new ATOM 1493 N PRO A 89 8.088 -5.823 -17.610 1.00 0.00 N ATOM 1494 CA PRO A 89 8.314 -4.704 -18.509 1.00 0.00 C ATOM 1495 C PRO A 89 9.067 -3.576 -17.801 1.00 0.00 C ATOM 1496 O PRO A 89 8.466 -2.782 -17.078 1.00 0.00 O ATOM 1497 CB PRO A 89 6.929 -4.291 -18.979 1.00 0.00 C ATOM 1498 CG PRO A 89 5.954 -4.885 -17.975 1.00 0.00 C ATOM 1499 CD PRO A 89 6.707 -5.911 -17.145 1.00 0.00 C ATOM 0 HA PRO A 89 8.946 -4.967 -19.358 1.00 0.00 H new ATOM 0 HB2 PRO A 89 6.837 -3.206 -19.017 1.00 0.00 H new ATOM 0 HB3 PRO A 89 6.730 -4.664 -19.984 1.00 0.00 H new ATOM 0 HG2 PRO A 89 5.542 -4.105 -17.335 1.00 0.00 H new ATOM 0 HG3 PRO A 89 5.114 -5.352 -18.489 1.00 0.00 H new ATOM 0 HD2 PRO A 89 6.633 -5.690 -16.080 1.00 0.00 H new ATOM 0 HD3 PRO A 89 6.303 -6.913 -17.292 1.00 0.00 H new ATOM 1507 N GLY A 90 10.370 -3.540 -18.034 1.00 0.00 N ATOM 1508 CA GLY A 90 11.211 -2.521 -17.427 1.00 0.00 C ATOM 1509 C GLY A 90 12.511 -3.128 -16.896 1.00 0.00 C ATOM 1510 O GLY A 90 12.511 -4.238 -16.365 1.00 0.00 O ATOM 0 H GLY A 90 10.865 -4.199 -18.635 1.00 0.00 H new ATOM 0 HA2 GLY A 90 11.439 -1.748 -18.161 1.00 0.00 H new ATOM 0 HA3 GLY A 90 10.672 -2.037 -16.612 1.00 0.00 H new ATOM 1514 N ARG A 91 13.589 -2.374 -17.059 1.00 0.00 N ATOM 1515 CA ARG A 91 14.893 -2.824 -16.602 1.00 0.00 C ATOM 1516 C ARG A 91 15.356 -4.029 -17.424 1.00 0.00 C ATOM 1517 O ARG A 91 14.577 -4.945 -17.683 1.00 0.00 O ATOM 1518 CB ARG A 91 14.855 -3.209 -15.122 1.00 0.00 C ATOM 1519 CG ARG A 91 14.351 -2.046 -14.266 1.00 0.00 C ATOM 1520 CD ARG A 91 15.380 -0.915 -14.216 1.00 0.00 C ATOM 1521 NE ARG A 91 14.754 0.315 -13.681 1.00 0.00 N ATOM 1522 CZ ARG A 91 15.293 1.538 -13.785 1.00 0.00 C ATOM 1523 NH1 ARG A 91 16.470 1.701 -14.403 1.00 0.00 N ATOM 1524 NH2 ARG A 91 14.654 2.597 -13.270 1.00 0.00 N ATOM 0 H ARG A 91 13.586 -1.455 -17.501 1.00 0.00 H new ATOM 0 HA ARG A 91 15.594 -1.999 -16.733 1.00 0.00 H new ATOM 0 HB2 ARG A 91 14.207 -4.074 -14.984 1.00 0.00 H new ATOM 0 HB3 ARG A 91 15.852 -3.502 -14.793 1.00 0.00 H new ATOM 0 HG2 ARG A 91 13.412 -1.670 -14.673 1.00 0.00 H new ATOM 0 HG3 ARG A 91 14.142 -2.397 -13.256 1.00 0.00 H new ATOM 0 HD2 ARG A 91 16.223 -1.206 -13.589 1.00 0.00 H new ATOM 0 HD3 ARG A 91 15.775 -0.727 -15.214 1.00 0.00 H new ATOM 0 HE ARG A 91 13.857 0.227 -13.204 1.00 0.00 H new ATOM 0 HH11 ARG A 91 16.956 0.894 -14.795 1.00 0.00 H new ATOM 0 HH12 ARG A 91 16.880 2.632 -14.482 1.00 0.00 H new ATOM 0 HH21 ARG A 91 13.758 2.472 -12.799 1.00 0.00 H new ATOM 0 HH22 ARG A 91 15.064 3.528 -13.349 1.00 0.00 H new ATOM 1538 N THR A 92 16.622 -3.989 -17.811 1.00 0.00 N ATOM 1539 CA THR A 92 17.199 -5.067 -18.598 1.00 0.00 C ATOM 1540 C THR A 92 18.072 -5.962 -17.717 1.00 0.00 C ATOM 1541 O THR A 92 17.845 -6.065 -16.512 1.00 0.00 O ATOM 1542 CB THR A 92 17.957 -4.442 -19.770 1.00 0.00 C ATOM 1543 OG1 THR A 92 19.009 -3.707 -19.151 1.00 0.00 O ATOM 1544 CG2 THR A 92 17.136 -3.376 -20.498 1.00 0.00 C ATOM 0 H THR A 92 17.265 -3.227 -17.595 1.00 0.00 H new ATOM 0 HA THR A 92 16.426 -5.719 -19.003 1.00 0.00 H new ATOM 0 HB THR A 92 18.243 -5.223 -20.474 1.00 0.00 H new ATOM 0 HG1 THR A 92 19.552 -3.270 -19.840 1.00 0.00 H new ATOM 0 HG21 THR A 92 17.721 -2.965 -21.321 1.00 0.00 H new ATOM 0 HG22 THR A 92 16.223 -3.825 -20.890 1.00 0.00 H new ATOM 0 HG23 THR A 92 16.878 -2.578 -19.802 1.00 0.00 H new ATOM 1552 N ASP A 93 19.053 -6.587 -18.352 1.00 0.00 N ATOM 1553 CA ASP A 93 19.962 -7.470 -17.641 1.00 0.00 C ATOM 1554 C ASP A 93 20.913 -6.633 -16.784 1.00 0.00 C ATOM 1555 O ASP A 93 21.101 -6.917 -15.602 1.00 0.00 O ATOM 1556 CB ASP A 93 20.805 -8.294 -18.617 1.00 0.00 C ATOM 1557 CG ASP A 93 21.288 -7.535 -19.854 1.00 0.00 C ATOM 1558 OD1 ASP A 93 20.410 -7.089 -20.625 1.00 0.00 O ATOM 1559 OD2 ASP A 93 22.523 -7.417 -20.002 1.00 0.00 O ATOM 0 H ASP A 93 19.238 -6.499 -19.351 1.00 0.00 H new ATOM 0 HA ASP A 93 19.366 -8.142 -17.023 1.00 0.00 H new ATOM 0 HB2 ASP A 93 21.674 -8.682 -18.085 1.00 0.00 H new ATOM 0 HB3 ASP A 93 20.220 -9.154 -18.942 1.00 0.00 H new ATOM 1564 N ASN A 94 21.488 -5.619 -17.413 1.00 0.00 N ATOM 1565 CA ASN A 94 22.415 -4.739 -16.722 1.00 0.00 C ATOM 1566 C ASN A 94 21.685 -4.032 -15.579 1.00 0.00 C ATOM 1567 O ASN A 94 22.318 -3.450 -14.699 1.00 0.00 O ATOM 1568 CB ASN A 94 22.964 -3.667 -17.666 1.00 0.00 C ATOM 1569 CG ASN A 94 24.476 -3.819 -17.848 1.00 0.00 C ATOM 1570 OD1 ASN A 94 25.257 -3.658 -16.925 1.00 0.00 O ATOM 1571 ND2 ASN A 94 24.843 -4.138 -19.086 1.00 0.00 N ATOM 0 H ASN A 94 21.330 -5.387 -18.394 1.00 0.00 H new ATOM 0 HA ASN A 94 23.239 -5.346 -16.346 1.00 0.00 H new ATOM 0 HB2 ASN A 94 22.468 -3.741 -18.634 1.00 0.00 H new ATOM 0 HB3 ASN A 94 22.740 -2.677 -17.268 1.00 0.00 H new ATOM 0 HD21 ASN A 94 25.830 -4.263 -19.309 1.00 0.00 H new ATOM 0 HD22 ASN A 94 24.137 -4.258 -19.812 1.00 0.00 H new ATOM 1578 N ALA A 95 20.363 -4.106 -15.628 1.00 0.00 N ATOM 1579 CA ALA A 95 19.540 -3.481 -14.607 1.00 0.00 C ATOM 1580 C ALA A 95 19.423 -4.421 -13.406 1.00 0.00 C ATOM 1581 O ALA A 95 19.959 -4.137 -12.336 1.00 0.00 O ATOM 1582 CB ALA A 95 18.177 -3.120 -15.200 1.00 0.00 C ATOM 0 H ALA A 95 19.841 -4.589 -16.359 1.00 0.00 H new ATOM 0 HA ALA A 95 19.999 -2.556 -14.258 1.00 0.00 H new ATOM 0 HB1 ALA A 95 17.560 -2.651 -14.434 1.00 0.00 H new ATOM 0 HB2 ALA A 95 18.313 -2.427 -16.030 1.00 0.00 H new ATOM 0 HB3 ALA A 95 17.685 -4.024 -15.559 1.00 0.00 H new ATOM 1588 N VAL A 96 18.718 -5.522 -13.623 1.00 0.00 N ATOM 1589 CA VAL A 96 18.523 -6.506 -12.572 1.00 0.00 C ATOM 1590 C VAL A 96 19.885 -6.935 -12.022 1.00 0.00 C ATOM 1591 O VAL A 96 20.091 -6.954 -10.810 1.00 0.00 O ATOM 1592 CB VAL A 96 17.695 -7.679 -13.100 1.00 0.00 C ATOM 1593 CG1 VAL A 96 17.506 -8.747 -12.020 1.00 0.00 C ATOM 1594 CG2 VAL A 96 16.345 -7.199 -13.638 1.00 0.00 C ATOM 0 H VAL A 96 18.275 -5.754 -14.512 1.00 0.00 H new ATOM 0 HA VAL A 96 17.959 -6.075 -11.745 1.00 0.00 H new ATOM 0 HB VAL A 96 18.244 -8.131 -13.926 1.00 0.00 H new ATOM 0 HG11 VAL A 96 16.914 -9.570 -12.421 1.00 0.00 H new ATOM 0 HG12 VAL A 96 18.480 -9.121 -11.704 1.00 0.00 H new ATOM 0 HG13 VAL A 96 16.989 -8.312 -11.165 1.00 0.00 H new ATOM 0 HG21 VAL A 96 15.776 -8.052 -14.007 1.00 0.00 H new ATOM 0 HG22 VAL A 96 15.788 -6.710 -12.839 1.00 0.00 H new ATOM 0 HG23 VAL A 96 16.508 -6.492 -14.452 1.00 0.00 H new ATOM 1604 N LYS A 97 20.779 -7.269 -12.941 1.00 0.00 N ATOM 1605 CA LYS A 97 22.115 -7.697 -12.564 1.00 0.00 C ATOM 1606 C LYS A 97 22.599 -6.859 -11.379 1.00 0.00 C ATOM 1607 O LYS A 97 22.861 -7.392 -10.303 1.00 0.00 O ATOM 1608 CB LYS A 97 23.053 -7.653 -13.772 1.00 0.00 C ATOM 1609 CG LYS A 97 24.500 -7.925 -13.354 1.00 0.00 C ATOM 1610 CD LYS A 97 25.399 -8.106 -14.578 1.00 0.00 C ATOM 1611 CE LYS A 97 25.678 -6.764 -15.257 1.00 0.00 C ATOM 1612 NZ LYS A 97 27.073 -6.337 -15.009 1.00 0.00 N ATOM 0 H LYS A 97 20.604 -7.252 -13.946 1.00 0.00 H new ATOM 0 HA LYS A 97 22.103 -8.737 -12.236 1.00 0.00 H new ATOM 0 HB2 LYS A 97 22.738 -8.393 -14.508 1.00 0.00 H new ATOM 0 HB3 LYS A 97 22.987 -6.677 -14.253 1.00 0.00 H new ATOM 0 HG2 LYS A 97 24.868 -7.098 -12.747 1.00 0.00 H new ATOM 0 HG3 LYS A 97 24.541 -8.820 -12.733 1.00 0.00 H new ATOM 0 HD2 LYS A 97 26.339 -8.568 -14.278 1.00 0.00 H new ATOM 0 HD3 LYS A 97 24.923 -8.784 -15.286 1.00 0.00 H new ATOM 0 HE2 LYS A 97 25.503 -6.849 -16.329 1.00 0.00 H new ATOM 0 HE3 LYS A 97 24.988 -6.009 -14.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 27.245 -5.424 -15.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 27.228 -6.236 -13.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 27.727 -7.050 -15.390 1.00 0.00 H new ATOM 1626 N ASN A 98 22.703 -5.560 -11.618 1.00 0.00 N ATOM 1627 CA ASN A 98 23.151 -4.642 -10.584 1.00 0.00 C ATOM 1628 C ASN A 98 22.151 -4.658 -9.426 1.00 0.00 C ATOM 1629 O ASN A 98 22.544 -4.607 -8.262 1.00 0.00 O ATOM 1630 CB ASN A 98 23.235 -3.210 -11.117 1.00 0.00 C ATOM 1631 CG ASN A 98 24.297 -2.407 -10.365 1.00 0.00 C ATOM 1632 OD1 ASN A 98 24.148 -2.065 -9.203 1.00 0.00 O ATOM 1633 ND2 ASN A 98 25.376 -2.125 -11.090 1.00 0.00 N ATOM 0 H ASN A 98 22.485 -5.121 -12.513 1.00 0.00 H new ATOM 0 HA ASN A 98 24.139 -4.962 -10.254 1.00 0.00 H new ATOM 0 HB2 ASN A 98 23.473 -3.227 -12.181 1.00 0.00 H new ATOM 0 HB3 ASN A 98 22.265 -2.723 -11.015 1.00 0.00 H new ATOM 0 HD21 ASN A 98 26.142 -1.592 -10.678 1.00 0.00 H new ATOM 0 HD22 ASN A 98 25.437 -2.441 -12.058 1.00 0.00 H new ATOM 1640 N HIS A 99 20.878 -4.730 -9.787 1.00 0.00 N ATOM 1641 CA HIS A 99 19.819 -4.754 -8.792 1.00 0.00 C ATOM 1642 C HIS A 99 20.136 -5.808 -7.730 1.00 0.00 C ATOM 1643 O HIS A 99 19.623 -5.744 -6.614 1.00 0.00 O ATOM 1644 CB HIS A 99 18.457 -4.969 -9.454 1.00 0.00 C ATOM 1645 CG HIS A 99 17.282 -4.661 -8.557 1.00 0.00 C ATOM 1646 ND1 HIS A 99 17.397 -3.900 -7.407 1.00 0.00 N ATOM 1647 CD2 HIS A 99 15.969 -5.017 -8.654 1.00 0.00 C ATOM 1648 CE1 HIS A 99 16.201 -3.809 -6.844 1.00 0.00 C ATOM 1649 NE2 HIS A 99 15.318 -4.503 -7.618 1.00 0.00 N ATOM 0 H HIS A 99 20.556 -4.772 -10.754 1.00 0.00 H new ATOM 0 HA HIS A 99 19.765 -3.788 -8.290 1.00 0.00 H new ATOM 0 HB2 HIS A 99 18.395 -4.344 -10.345 1.00 0.00 H new ATOM 0 HB3 HIS A 99 18.386 -6.005 -9.786 1.00 0.00 H new ATOM 0 HD2 HIS A 99 15.533 -5.615 -9.440 1.00 0.00 H new ATOM 0 HE1 HIS A 99 15.967 -3.279 -5.933 1.00 0.00 H new ATOM 0 HE2 HIS A 99 14.321 -4.609 -7.431 1.00 0.00 H new ATOM 1657 N TRP A 100 20.979 -6.755 -8.115 1.00 0.00 N ATOM 1658 CA TRP A 100 21.371 -7.822 -7.210 1.00 0.00 C ATOM 1659 C TRP A 100 22.267 -7.219 -6.127 1.00 0.00 C ATOM 1660 O TRP A 100 22.029 -7.418 -4.937 1.00 0.00 O ATOM 1661 CB TRP A 100 22.040 -8.968 -7.971 1.00 0.00 C ATOM 1662 CG TRP A 100 21.688 -10.358 -7.438 1.00 0.00 C ATOM 1663 CD1 TRP A 100 22.520 -11.374 -7.169 1.00 0.00 C ATOM 1664 CD2 TRP A 100 20.369 -10.848 -7.118 1.00 0.00 C ATOM 1665 NE1 TRP A 100 21.837 -12.477 -6.701 1.00 0.00 N ATOM 1666 CE2 TRP A 100 20.487 -12.147 -6.669 1.00 0.00 C ATOM 1667 CE3 TRP A 100 19.117 -10.213 -7.205 1.00 0.00 C ATOM 1668 CZ2 TRP A 100 19.391 -12.924 -6.272 1.00 0.00 C ATOM 1669 CZ3 TRP A 100 18.032 -11.003 -6.804 1.00 0.00 C ATOM 1670 CH2 TRP A 100 18.134 -12.312 -6.350 1.00 0.00 C ATOM 0 H TRP A 100 21.402 -6.805 -9.042 1.00 0.00 H new ATOM 0 HA TRP A 100 20.496 -8.263 -6.731 1.00 0.00 H new ATOM 0 HB2 TRP A 100 21.753 -8.909 -9.021 1.00 0.00 H new ATOM 0 HB3 TRP A 100 23.121 -8.837 -7.928 1.00 0.00 H new ATOM 0 HD1 TRP A 100 23.591 -11.334 -7.302 1.00 0.00 H new ATOM 0 HE1 TRP A 100 22.247 -13.370 -6.429 1.00 0.00 H new ATOM 0 HE3 TRP A 100 19.001 -9.197 -7.553 1.00 0.00 H new ATOM 0 HZ2 TRP A 100 19.509 -13.940 -5.925 1.00 0.00 H new ATOM 0 HZ3 TRP A 100 17.047 -10.563 -6.851 1.00 0.00 H new ATOM 0 HH2 TRP A 100 17.247 -12.855 -6.058 1.00 0.00 H new ATOM 1681 N ASN A 101 23.280 -6.493 -6.579 1.00 0.00 N ATOM 1682 CA ASN A 101 24.213 -5.859 -5.663 1.00 0.00 C ATOM 1683 C ASN A 101 23.687 -4.473 -5.284 1.00 0.00 C ATOM 1684 O ASN A 101 24.274 -3.791 -4.446 1.00 0.00 O ATOM 1685 CB ASN A 101 25.587 -5.682 -6.312 1.00 0.00 C ATOM 1686 CG ASN A 101 26.334 -7.015 -6.388 1.00 0.00 C ATOM 1687 OD1 ASN A 101 26.775 -7.567 -5.392 1.00 0.00 O ATOM 1688 ND2 ASN A 101 26.451 -7.501 -7.620 1.00 0.00 N ATOM 0 H ASN A 101 23.475 -6.330 -7.567 1.00 0.00 H new ATOM 0 HA ASN A 101 24.309 -6.496 -4.784 1.00 0.00 H new ATOM 0 HB2 ASN A 101 25.469 -5.270 -7.314 1.00 0.00 H new ATOM 0 HB3 ASN A 101 26.174 -4.964 -5.739 1.00 0.00 H new ATOM 0 HD21 ASN A 101 26.933 -8.386 -7.775 1.00 0.00 H new ATOM 0 HD22 ASN A 101 26.059 -6.988 -8.410 1.00 0.00 H new ATOM 1695 N SER A 102 22.587 -4.099 -5.919 1.00 0.00 N ATOM 1696 CA SER A 102 21.975 -2.807 -5.659 1.00 0.00 C ATOM 1697 C SER A 102 21.282 -2.821 -4.295 1.00 0.00 C ATOM 1698 O SER A 102 21.772 -2.219 -3.340 1.00 0.00 O ATOM 1699 CB SER A 102 20.976 -2.439 -6.758 1.00 0.00 C ATOM 1700 OG SER A 102 20.746 -1.034 -6.821 1.00 0.00 O ATOM 0 H SER A 102 22.103 -4.668 -6.613 1.00 0.00 H new ATOM 0 HA SER A 102 22.761 -2.052 -5.652 1.00 0.00 H new ATOM 0 HB2 SER A 102 21.350 -2.789 -7.720 1.00 0.00 H new ATOM 0 HB3 SER A 102 20.032 -2.953 -6.577 1.00 0.00 H new ATOM 0 HG SER A 102 20.104 -0.839 -7.536 1.00 0.00 H new ATOM 1706 N THR A 103 20.154 -3.514 -4.247 1.00 0.00 N ATOM 1707 CA THR A 103 19.389 -3.614 -3.016 1.00 0.00 C ATOM 1708 C THR A 103 18.931 -5.056 -2.789 1.00 0.00 C ATOM 1709 O THR A 103 18.392 -5.381 -1.732 1.00 0.00 O ATOM 1710 CB THR A 103 18.234 -2.614 -3.094 1.00 0.00 C ATOM 1711 OG1 THR A 103 18.823 -1.373 -2.712 1.00 0.00 O ATOM 1712 CG2 THR A 103 17.169 -2.865 -2.025 1.00 0.00 C ATOM 0 H THR A 103 19.751 -4.012 -5.041 1.00 0.00 H new ATOM 0 HA THR A 103 19.999 -3.360 -2.149 1.00 0.00 H new ATOM 0 HB THR A 103 17.776 -2.665 -4.082 1.00 0.00 H new ATOM 0 HG1 THR A 103 18.144 -0.667 -2.737 1.00 0.00 H new ATOM 0 HG21 THR A 103 16.372 -2.128 -2.125 1.00 0.00 H new ATOM 0 HG22 THR A 103 16.755 -3.866 -2.151 1.00 0.00 H new ATOM 0 HG23 THR A 103 17.619 -2.781 -1.036 1.00 0.00 H new ATOM 1720 N ILE A 104 19.161 -5.882 -3.798 1.00 0.00 N ATOM 1721 CA ILE A 104 18.778 -7.282 -3.722 1.00 0.00 C ATOM 1722 C ILE A 104 20.003 -8.122 -3.357 1.00 0.00 C ATOM 1723 O ILE A 104 20.147 -9.252 -3.822 1.00 0.00 O ATOM 1724 CB ILE A 104 18.095 -7.722 -5.019 1.00 0.00 C ATOM 1725 CG1 ILE A 104 17.268 -6.582 -5.617 1.00 0.00 C ATOM 1726 CG2 ILE A 104 17.258 -8.983 -4.797 1.00 0.00 C ATOM 1727 CD1 ILE A 104 15.869 -6.537 -4.999 1.00 0.00 C ATOM 0 H ILE A 104 19.608 -5.609 -4.673 1.00 0.00 H new ATOM 0 HA ILE A 104 18.041 -7.433 -2.933 1.00 0.00 H new ATOM 0 HB ILE A 104 18.869 -7.973 -5.745 1.00 0.00 H new ATOM 0 HG12 ILE A 104 17.775 -5.632 -5.447 1.00 0.00 H new ATOM 0 HG13 ILE A 104 17.189 -6.713 -6.696 1.00 0.00 H new ATOM 0 HG21 ILE A 104 16.783 -9.274 -5.734 1.00 0.00 H new ATOM 0 HG22 ILE A 104 17.902 -9.791 -4.450 1.00 0.00 H new ATOM 0 HG23 ILE A 104 16.491 -8.784 -4.049 1.00 0.00 H new ATOM 0 HD11 ILE A 104 15.302 -5.718 -5.441 1.00 0.00 H new ATOM 0 HD12 ILE A 104 15.356 -7.479 -5.191 1.00 0.00 H new ATOM 0 HD13 ILE A 104 15.951 -6.382 -3.923 1.00 0.00 H new ATOM 1739 N LYS A 105 20.855 -7.538 -2.527 1.00 0.00 N ATOM 1740 CA LYS A 105 22.064 -8.219 -2.094 1.00 0.00 C ATOM 1741 C LYS A 105 22.032 -8.386 -0.573 1.00 0.00 C ATOM 1742 O LYS A 105 23.041 -8.176 0.099 1.00 0.00 O ATOM 1743 CB LYS A 105 23.305 -7.487 -2.607 1.00 0.00 C ATOM 1744 CG LYS A 105 23.030 -5.990 -2.770 1.00 0.00 C ATOM 1745 CD LYS A 105 22.636 -5.356 -1.434 1.00 0.00 C ATOM 1746 CE LYS A 105 23.549 -4.176 -1.097 1.00 0.00 C ATOM 1747 NZ LYS A 105 23.012 -3.418 0.055 1.00 0.00 N ATOM 0 H LYS A 105 20.732 -6.601 -2.143 1.00 0.00 H new ATOM 0 HA LYS A 105 22.113 -9.219 -2.524 1.00 0.00 H new ATOM 0 HB2 LYS A 105 24.132 -7.635 -1.913 1.00 0.00 H new ATOM 0 HB3 LYS A 105 23.612 -7.910 -3.563 1.00 0.00 H new ATOM 0 HG2 LYS A 105 23.917 -5.494 -3.164 1.00 0.00 H new ATOM 0 HG3 LYS A 105 22.232 -5.840 -3.497 1.00 0.00 H new ATOM 0 HD2 LYS A 105 21.601 -5.018 -1.479 1.00 0.00 H new ATOM 0 HD3 LYS A 105 22.693 -6.103 -0.642 1.00 0.00 H new ATOM 0 HE2 LYS A 105 24.551 -4.538 -0.866 1.00 0.00 H new ATOM 0 HE3 LYS A 105 23.639 -3.519 -1.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 23.644 -2.620 0.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 22.065 -3.057 -0.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 22.949 -4.044 0.883 1.00 0.00 H new