USER MOD reduce.3.24.130724 H: found=0, std=0, add=572, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 573 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 51 MET CE :methyl -104:sc= -1.53 (180deg=-4.61!) USER MOD Set 1.2: A 56 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 41 THR OG1 : rot -83:sc= -0.454 USER MOD Set 2.2: A 48 GLN : amide:sc= -7.21! C(o=-13!,f=-25!) USER MOD Set 2.3: A 75 MET CE :methyl -103:sc= -5.47! (180deg=-7.82!) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN :FLIP amide:sc= -0.717 F(o=-3.7,f=-0.72) USER MOD Single : A 26 THR OG1 : rot -125:sc= 0.407 USER MOD Single : A 31 MET CE :methyl -132:sc= -1.56 (180deg=-4.63!) USER MOD Single : A 34 LYS NZ :NH3+ -162:sc= 0.84 (180deg=0.584) USER MOD Single : A 36 GLN :FLIP amide:sc= -1.62 F(o=-2.3!,f=-1.6) USER MOD Single : A 44 GLN : amide:sc= -1.34 K(o=-1.3,f=-2.8!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -0.25 K(o=-0.25,f=-2.3!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 MET CE :methyl 129:sc= -1.05 (180deg=-2.09!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN :FLIP amide:sc= 0.00326 F(o=-2.1!,f=0.0033) USER MOD Single : A 71 MET CE :methyl 157:sc= -0.443 (180deg=-1.04) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 MET CE :methyl -146:sc= -0.225 (180deg=-1.12) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -5.965 3.348 -14.194 1.00 0.00 N ATOM 60 CA GLY A 7 -5.528 3.832 -12.896 1.00 0.00 C ATOM 61 C GLY A 7 -6.702 3.920 -11.919 1.00 0.00 C ATOM 62 O GLY A 7 -7.627 4.705 -12.123 1.00 0.00 O ATOM 0 HA2 GLY A 7 -4.765 3.166 -12.494 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -5.068 4.814 -13.006 1.00 0.00 H new ATOM 66 N TYR A 8 -6.627 3.103 -10.879 1.00 0.00 N ATOM 67 CA TYR A 8 -7.672 3.078 -9.870 1.00 0.00 C ATOM 68 C TYR A 8 -7.239 3.836 -8.613 1.00 0.00 C ATOM 69 O TYR A 8 -6.046 3.992 -8.358 1.00 0.00 O ATOM 70 CB TYR A 8 -7.882 1.605 -9.516 1.00 0.00 C ATOM 71 CG TYR A 8 -8.679 0.821 -10.560 1.00 0.00 C ATOM 72 CD1 TYR A 8 -10.058 0.810 -10.510 1.00 0.00 C ATOM 73 CD2 TYR A 8 -8.019 0.125 -11.552 1.00 0.00 C ATOM 74 CE1 TYR A 8 -10.808 0.072 -11.494 1.00 0.00 C ATOM 75 CE2 TYR A 8 -8.769 -0.613 -12.536 1.00 0.00 C ATOM 76 CZ TYR A 8 -10.127 -0.603 -12.458 1.00 0.00 C ATOM 77 OH TYR A 8 -10.835 -1.299 -13.386 1.00 0.00 O ATOM 0 H TYR A 8 -5.858 2.453 -10.713 1.00 0.00 H new ATOM 0 HA TYR A 8 -8.579 3.551 -10.246 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -6.909 1.131 -9.386 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -8.398 1.542 -8.558 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -10.575 1.354 -9.734 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -6.940 0.134 -11.591 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -11.888 0.055 -11.467 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -8.265 -1.162 -13.318 1.00 0.00 H new ATOM 0 HH TYR A 8 -10.217 -1.730 -14.013 1.00 0.00 H new ATOM 87 N SER A 9 -8.233 4.286 -7.860 1.00 0.00 N ATOM 88 CA SER A 9 -7.969 5.023 -6.636 1.00 0.00 C ATOM 89 C SER A 9 -8.561 4.278 -5.439 1.00 0.00 C ATOM 90 O SER A 9 -9.780 4.171 -5.310 1.00 0.00 O ATOM 91 CB SER A 9 -8.540 6.441 -6.714 1.00 0.00 C ATOM 92 OG SER A 9 -8.913 6.795 -8.043 1.00 0.00 O ATOM 0 H SER A 9 -9.222 4.154 -8.074 1.00 0.00 H new ATOM 0 HA SER A 9 -6.889 5.101 -6.509 1.00 0.00 H new ATOM 0 HB2 SER A 9 -9.409 6.518 -6.061 1.00 0.00 H new ATOM 0 HB3 SER A 9 -7.800 7.151 -6.344 1.00 0.00 H new ATOM 0 HG SER A 9 -9.274 7.706 -8.050 1.00 0.00 H new ATOM 98 N VAL A 10 -7.671 3.781 -4.593 1.00 0.00 N ATOM 99 CA VAL A 10 -8.090 3.048 -3.410 1.00 0.00 C ATOM 100 C VAL A 10 -7.486 3.706 -2.168 1.00 0.00 C ATOM 101 O VAL A 10 -6.667 4.617 -2.279 1.00 0.00 O ATOM 102 CB VAL A 10 -7.713 1.572 -3.548 1.00 0.00 C ATOM 103 CG1 VAL A 10 -8.431 0.932 -4.738 1.00 0.00 C ATOM 104 CG2 VAL A 10 -6.197 1.402 -3.666 1.00 0.00 C ATOM 0 H VAL A 10 -6.661 3.871 -4.703 1.00 0.00 H new ATOM 0 HA VAL A 10 -9.174 3.084 -3.302 1.00 0.00 H new ATOM 0 HB VAL A 10 -8.038 1.057 -2.644 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -8.146 -0.117 -4.814 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -9.509 1.005 -4.595 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -8.151 1.451 -5.654 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -5.956 0.343 -3.763 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -5.838 1.938 -4.545 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -5.715 1.804 -2.774 1.00 0.00 H new ATOM 114 N THR A 11 -7.914 3.218 -1.012 1.00 0.00 N ATOM 115 CA THR A 11 -7.425 3.747 0.250 1.00 0.00 C ATOM 116 C THR A 11 -6.604 2.689 0.990 1.00 0.00 C ATOM 117 O THR A 11 -6.786 1.492 0.771 1.00 0.00 O ATOM 118 CB THR A 11 -8.629 4.251 1.049 1.00 0.00 C ATOM 119 OG1 THR A 11 -8.937 5.509 0.456 1.00 0.00 O ATOM 120 CG2 THR A 11 -8.268 4.598 2.495 1.00 0.00 C ATOM 0 H THR A 11 -8.594 2.463 -0.923 1.00 0.00 H new ATOM 0 HA THR A 11 -6.747 4.586 0.091 1.00 0.00 H new ATOM 0 HB THR A 11 -9.412 3.493 1.043 1.00 0.00 H new ATOM 0 HG1 THR A 11 -9.708 5.906 0.913 1.00 0.00 H new ATOM 0 HG21 THR A 11 -9.157 4.950 3.018 1.00 0.00 H new ATOM 0 HG22 THR A 11 -7.880 3.711 2.996 1.00 0.00 H new ATOM 0 HG23 THR A 11 -7.509 5.380 2.503 1.00 0.00 H new ATOM 128 N VAL A 12 -5.718 3.168 1.850 1.00 0.00 N ATOM 129 CA VAL A 12 -4.868 2.279 2.623 1.00 0.00 C ATOM 130 C VAL A 12 -5.112 2.516 4.115 1.00 0.00 C ATOM 131 O VAL A 12 -5.214 3.660 4.556 1.00 0.00 O ATOM 132 CB VAL A 12 -3.405 2.469 2.219 1.00 0.00 C ATOM 133 CG1 VAL A 12 -2.472 1.702 3.158 1.00 0.00 C ATOM 134 CG2 VAL A 12 -3.180 2.056 0.763 1.00 0.00 C ATOM 0 H VAL A 12 -5.570 4.161 2.029 1.00 0.00 H new ATOM 0 HA VAL A 12 -5.116 1.238 2.414 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.169 3.529 2.306 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.438 1.854 2.848 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.603 2.065 4.177 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.710 0.639 3.119 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -2.132 2.201 0.501 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -3.443 1.006 0.638 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -3.804 2.667 0.111 1.00 0.00 H new ATOM 144 N LYS A 13 -5.199 1.417 4.850 1.00 0.00 N ATOM 145 CA LYS A 13 -5.429 1.492 6.283 1.00 0.00 C ATOM 146 C LYS A 13 -4.280 0.797 7.016 1.00 0.00 C ATOM 147 O LYS A 13 -4.096 -0.412 6.886 1.00 0.00 O ATOM 148 CB LYS A 13 -6.809 0.933 6.634 1.00 0.00 C ATOM 149 CG LYS A 13 -7.579 1.899 7.536 1.00 0.00 C ATOM 150 CD LYS A 13 -8.302 1.147 8.655 1.00 0.00 C ATOM 151 CE LYS A 13 -9.745 0.829 8.260 1.00 0.00 C ATOM 152 NZ LYS A 13 -9.994 -0.628 8.334 1.00 0.00 N ATOM 0 H LYS A 13 -5.114 0.470 4.480 1.00 0.00 H new ATOM 0 HA LYS A 13 -5.438 2.531 6.614 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -7.376 0.753 5.720 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -6.699 -0.029 7.135 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -6.891 2.626 7.967 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -8.302 2.458 6.942 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -7.770 0.222 8.879 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -8.294 1.747 9.565 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -10.434 1.356 8.921 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -9.938 1.186 7.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -10.978 -0.826 8.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -9.350 -1.124 7.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -9.829 -0.959 9.306 1.00 0.00 H new ATOM 166 N TRP A 14 -3.536 1.592 7.771 1.00 0.00 N ATOM 167 CA TRP A 14 -2.410 1.069 8.526 1.00 0.00 C ATOM 168 C TRP A 14 -2.620 1.427 9.998 1.00 0.00 C ATOM 169 O TRP A 14 -2.275 2.526 10.429 1.00 0.00 O ATOM 170 CB TRP A 14 -1.085 1.593 7.967 1.00 0.00 C ATOM 171 CG TRP A 14 0.148 0.864 8.504 1.00 0.00 C ATOM 172 CD1 TRP A 14 0.357 -0.457 8.585 1.00 0.00 C ATOM 173 CD2 TRP A 14 1.343 1.475 9.037 1.00 0.00 C ATOM 174 NE1 TRP A 14 1.593 -0.742 9.127 1.00 0.00 N ATOM 175 CE2 TRP A 14 2.212 0.470 9.411 1.00 0.00 C ATOM 176 CE3 TRP A 14 1.678 2.831 9.197 1.00 0.00 C ATOM 177 CZ2 TRP A 14 3.472 0.715 9.969 1.00 0.00 C ATOM 178 CZ3 TRP A 14 2.941 3.059 9.756 1.00 0.00 C ATOM 179 CH2 TRP A 14 3.828 2.058 10.138 1.00 0.00 C ATOM 0 H TRP A 14 -3.691 2.595 7.876 1.00 0.00 H new ATOM 0 HA TRP A 14 -2.356 -0.016 8.436 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -1.101 1.507 6.881 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -0.998 2.654 8.201 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -0.353 -1.205 8.266 1.00 0.00 H new ATOM 0 HE1 TRP A 14 1.981 -1.671 9.290 1.00 0.00 H new ATOM 0 HE3 TRP A 14 1.014 3.633 8.911 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 4.134 -0.089 10.254 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 3.248 4.084 9.901 1.00 0.00 H new ATOM 0 HH2 TRP A 14 4.787 2.316 10.563 1.00 0.00 H new ATOM 190 N GLY A 15 -3.185 0.477 10.730 1.00 0.00 N ATOM 191 CA GLY A 15 -3.445 0.678 12.145 1.00 0.00 C ATOM 192 C GLY A 15 -3.907 2.111 12.420 1.00 0.00 C ATOM 193 O GLY A 15 -4.826 2.606 11.768 1.00 0.00 O ATOM 0 H GLY A 15 -3.470 -0.434 10.369 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -4.207 -0.025 12.482 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -2.542 0.467 12.718 1.00 0.00 H new ATOM 197 N LYS A 16 -3.250 2.736 13.385 1.00 0.00 N ATOM 198 CA LYS A 16 -3.582 4.102 13.754 1.00 0.00 C ATOM 199 C LYS A 16 -3.405 5.011 12.536 1.00 0.00 C ATOM 200 O LYS A 16 -4.141 5.983 12.371 1.00 0.00 O ATOM 201 CB LYS A 16 -2.769 4.541 14.973 1.00 0.00 C ATOM 202 CG LYS A 16 -3.654 5.259 15.993 1.00 0.00 C ATOM 203 CD LYS A 16 -2.854 5.643 17.239 1.00 0.00 C ATOM 204 CE LYS A 16 -3.378 6.946 17.848 1.00 0.00 C ATOM 205 NZ LYS A 16 -3.680 6.762 19.285 1.00 0.00 N ATOM 0 H LYS A 16 -2.489 2.322 13.923 1.00 0.00 H new ATOM 0 HA LYS A 16 -4.627 4.172 14.056 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -2.305 3.671 15.438 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -1.962 5.202 14.657 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -4.083 6.154 15.542 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -4.486 4.614 16.275 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -2.916 4.842 17.976 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -1.802 5.756 16.979 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.637 7.736 17.724 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -4.276 7.266 17.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -4.034 7.655 19.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -4.403 6.023 19.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -2.815 6.478 19.788 1.00 0.00 H new ATOM 219 N GLU A 17 -2.425 4.664 11.716 1.00 0.00 N ATOM 220 CA GLU A 17 -2.141 5.437 10.519 1.00 0.00 C ATOM 221 C GLU A 17 -3.264 5.260 9.494 1.00 0.00 C ATOM 222 O GLU A 17 -3.874 4.195 9.415 1.00 0.00 O ATOM 223 CB GLU A 17 -0.788 5.048 9.922 1.00 0.00 C ATOM 224 CG GLU A 17 0.363 5.637 10.740 1.00 0.00 C ATOM 225 CD GLU A 17 0.329 7.166 10.712 1.00 0.00 C ATOM 226 OE1 GLU A 17 0.348 7.713 9.588 1.00 0.00 O ATOM 227 OE2 GLU A 17 0.285 7.754 11.814 1.00 0.00 O ATOM 0 H GLU A 17 -1.817 3.857 11.857 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.089 6.490 10.795 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.699 3.962 9.892 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.726 5.402 8.893 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.298 5.287 11.770 1.00 0.00 H new ATOM 0 HG3 GLU A 17 1.314 5.283 10.343 1.00 0.00 H new ATOM 234 N LYS A 18 -3.503 6.320 8.736 1.00 0.00 N ATOM 235 CA LYS A 18 -4.541 6.294 7.720 1.00 0.00 C ATOM 236 C LYS A 18 -4.053 7.046 6.479 1.00 0.00 C ATOM 237 O LYS A 18 -3.435 8.103 6.593 1.00 0.00 O ATOM 238 CB LYS A 18 -5.857 6.831 8.286 1.00 0.00 C ATOM 239 CG LYS A 18 -6.831 7.192 7.162 1.00 0.00 C ATOM 240 CD LYS A 18 -8.244 7.406 7.707 1.00 0.00 C ATOM 241 CE LYS A 18 -8.797 6.116 8.317 1.00 0.00 C ATOM 242 NZ LYS A 18 -10.247 6.247 8.581 1.00 0.00 N ATOM 0 H LYS A 18 -2.996 7.202 8.805 1.00 0.00 H new ATOM 0 HA LYS A 18 -4.747 5.269 7.412 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -6.309 6.083 8.937 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -5.661 7.711 8.899 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -6.491 8.097 6.658 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -6.842 6.397 6.416 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -8.232 8.193 8.461 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -8.900 7.744 6.905 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -8.619 5.281 7.639 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -8.271 5.891 9.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -10.606 5.363 8.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -10.410 7.031 9.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -10.746 6.439 7.689 1.00 0.00 H new ATOM 256 N PHE A 19 -4.350 6.470 5.323 1.00 0.00 N ATOM 257 CA PHE A 19 -3.950 7.072 4.063 1.00 0.00 C ATOM 258 C PHE A 19 -5.083 7.003 3.038 1.00 0.00 C ATOM 259 O PHE A 19 -5.438 5.921 2.572 1.00 0.00 O ATOM 260 CB PHE A 19 -2.757 6.268 3.542 1.00 0.00 C ATOM 261 CG PHE A 19 -1.603 6.150 4.540 1.00 0.00 C ATOM 262 CD1 PHE A 19 -0.712 7.168 4.674 1.00 0.00 C ATOM 263 CD2 PHE A 19 -1.469 5.025 5.294 1.00 0.00 C ATOM 264 CE1 PHE A 19 0.359 7.058 5.600 1.00 0.00 C ATOM 265 CE2 PHE A 19 -0.398 4.915 6.220 1.00 0.00 C ATOM 266 CZ PHE A 19 0.493 5.934 6.354 1.00 0.00 C ATOM 0 H PHE A 19 -4.863 5.593 5.233 1.00 0.00 H new ATOM 0 HA PHE A 19 -3.698 8.121 4.216 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -3.096 5.267 3.274 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.388 6.735 2.629 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -0.819 8.061 4.076 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -2.177 4.216 5.188 1.00 0.00 H new ATOM 0 HE1 PHE A 19 1.067 7.867 5.705 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -0.291 4.022 6.818 1.00 0.00 H new ATOM 0 HZ PHE A 19 1.307 5.851 7.059 1.00 0.00 H new ATOM 276 N GLU A 20 -5.620 8.171 2.716 1.00 0.00 N ATOM 277 CA GLU A 20 -6.705 8.256 1.754 1.00 0.00 C ATOM 278 C GLU A 20 -6.245 8.999 0.498 1.00 0.00 C ATOM 279 O GLU A 20 -5.806 10.145 0.576 1.00 0.00 O ATOM 280 CB GLU A 20 -7.932 8.931 2.371 1.00 0.00 C ATOM 281 CG GLU A 20 -8.373 8.207 3.645 1.00 0.00 C ATOM 282 CD GLU A 20 -9.067 9.171 4.610 1.00 0.00 C ATOM 283 OE1 GLU A 20 -8.331 9.868 5.342 1.00 0.00 O ATOM 284 OE2 GLU A 20 -10.317 9.188 4.594 1.00 0.00 O ATOM 0 H GLU A 20 -5.324 9.066 3.105 1.00 0.00 H new ATOM 0 HA GLU A 20 -6.992 7.244 1.469 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -7.702 9.971 2.601 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -8.750 8.937 1.650 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -9.050 7.392 3.389 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -7.507 7.760 4.132 1.00 0.00 H new ATOM 291 N GLY A 21 -6.361 8.315 -0.631 1.00 0.00 N ATOM 292 CA GLY A 21 -5.962 8.895 -1.902 1.00 0.00 C ATOM 293 C GLY A 21 -4.597 8.363 -2.343 1.00 0.00 C ATOM 294 O GLY A 21 -3.670 9.138 -2.576 1.00 0.00 O ATOM 0 H GLY A 21 -6.726 7.364 -0.692 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -6.709 8.664 -2.662 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -5.922 9.981 -1.814 1.00 0.00 H new ATOM 298 N VAL A 22 -4.516 7.044 -2.445 1.00 0.00 N ATOM 299 CA VAL A 22 -3.280 6.399 -2.854 1.00 0.00 C ATOM 300 C VAL A 22 -3.385 5.993 -4.325 1.00 0.00 C ATOM 301 O VAL A 22 -4.257 5.208 -4.695 1.00 0.00 O ATOM 302 CB VAL A 22 -2.974 5.221 -1.928 1.00 0.00 C ATOM 303 CG1 VAL A 22 -1.882 4.328 -2.521 1.00 0.00 C ATOM 304 CG2 VAL A 22 -2.585 5.708 -0.531 1.00 0.00 C ATOM 0 H VAL A 22 -5.287 6.405 -2.251 1.00 0.00 H new ATOM 0 HA VAL A 22 -2.441 7.089 -2.767 1.00 0.00 H new ATOM 0 HB VAL A 22 -3.881 4.624 -1.834 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.683 3.498 -1.843 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -2.213 3.939 -3.484 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -0.971 4.910 -2.659 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.373 4.850 0.107 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -1.698 6.338 -0.599 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.407 6.283 -0.104 1.00 0.00 H new ATOM 314 N GLU A 23 -2.484 6.545 -5.125 1.00 0.00 N ATOM 315 CA GLU A 23 -2.465 6.250 -6.547 1.00 0.00 C ATOM 316 C GLU A 23 -2.218 4.757 -6.776 1.00 0.00 C ATOM 317 O GLU A 23 -1.191 4.223 -6.361 1.00 0.00 O ATOM 318 CB GLU A 23 -1.414 7.096 -7.268 1.00 0.00 C ATOM 319 CG GLU A 23 -1.911 8.528 -7.476 1.00 0.00 C ATOM 320 CD GLU A 23 -1.921 8.895 -8.962 1.00 0.00 C ATOM 321 OE1 GLU A 23 -0.824 8.861 -9.562 1.00 0.00 O ATOM 322 OE2 GLU A 23 -3.024 9.200 -9.463 1.00 0.00 O ATOM 0 H GLU A 23 -1.762 7.195 -4.815 1.00 0.00 H new ATOM 0 HA GLU A 23 -3.439 6.506 -6.965 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -0.491 7.108 -6.688 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -1.178 6.645 -8.232 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.915 8.631 -7.066 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -1.271 9.222 -6.931 1.00 0.00 H new ATOM 329 N LEU A 24 -3.178 4.126 -7.436 1.00 0.00 N ATOM 330 CA LEU A 24 -3.078 2.705 -7.725 1.00 0.00 C ATOM 331 C LEU A 24 -3.360 2.470 -9.210 1.00 0.00 C ATOM 332 O LEU A 24 -4.290 3.050 -9.769 1.00 0.00 O ATOM 333 CB LEU A 24 -3.988 1.903 -6.792 1.00 0.00 C ATOM 334 CG LEU A 24 -4.434 0.532 -7.305 1.00 0.00 C ATOM 335 CD1 LEU A 24 -3.557 -0.580 -6.728 1.00 0.00 C ATOM 336 CD2 LEU A 24 -5.919 0.297 -7.021 1.00 0.00 C ATOM 0 H LEU A 24 -4.029 4.572 -7.779 1.00 0.00 H new ATOM 0 HA LEU A 24 -2.067 2.347 -7.531 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -3.470 1.763 -5.843 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.877 2.498 -6.584 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.307 0.514 -8.387 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.895 -1.544 -7.108 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.521 -0.416 -7.024 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.630 -0.573 -5.640 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -6.210 -0.684 -7.396 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -6.096 0.342 -5.946 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.511 1.065 -7.518 1.00 0.00 H new ATOM 348 N ASN A 25 -2.540 1.618 -9.807 1.00 0.00 N ATOM 349 CA ASN A 25 -2.689 1.299 -11.217 1.00 0.00 C ATOM 350 C ASN A 25 -2.687 -0.221 -11.395 1.00 0.00 C ATOM 351 O ASN A 25 -1.965 -0.930 -10.696 1.00 0.00 O ATOM 352 CB ASN A 25 -1.531 1.872 -12.037 1.00 0.00 C ATOM 353 CG ASN A 25 -1.992 2.252 -13.446 1.00 0.00 C ATOM 354 OD1 ASN A 25 -1.963 1.245 -14.314 1.00 0.00 O flip ATOM 355 ND2 ASN A 25 -2.351 3.384 -13.725 1.00 0.00 N flip ATOM 0 H ASN A 25 -1.770 1.139 -9.340 1.00 0.00 H new ATOM 0 HA ASN A 25 -3.626 1.734 -11.563 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -1.124 2.750 -11.535 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -0.727 1.139 -12.099 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -2.349 4.111 -13.009 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -2.653 3.604 -14.674 1.00 0.00 H new ATOM 362 N THR A 26 -3.503 -0.676 -12.334 1.00 0.00 N ATOM 363 CA THR A 26 -3.605 -2.098 -12.612 1.00 0.00 C ATOM 364 C THR A 26 -2.723 -2.472 -13.805 1.00 0.00 C ATOM 365 O THR A 26 -2.128 -3.549 -13.828 1.00 0.00 O ATOM 366 CB THR A 26 -5.083 -2.435 -12.821 1.00 0.00 C ATOM 367 OG1 THR A 26 -5.581 -1.347 -13.595 1.00 0.00 O ATOM 368 CG2 THR A 26 -5.888 -2.366 -11.521 1.00 0.00 C ATOM 0 H THR A 26 -4.100 -0.085 -12.912 1.00 0.00 H new ATOM 0 HA THR A 26 -3.237 -2.692 -11.775 1.00 0.00 H new ATOM 0 HB THR A 26 -5.171 -3.433 -13.251 1.00 0.00 H new ATOM 0 HG1 THR A 26 -6.351 -0.947 -13.139 1.00 0.00 H new ATOM 0 HG21 THR A 26 -6.930 -2.614 -11.725 1.00 0.00 H new ATOM 0 HG22 THR A 26 -5.480 -3.077 -10.802 1.00 0.00 H new ATOM 0 HG23 THR A 26 -5.828 -1.359 -11.109 1.00 0.00 H new ATOM 376 N ASP A 27 -2.666 -1.563 -14.767 1.00 0.00 N ATOM 377 CA ASP A 27 -1.866 -1.784 -15.959 1.00 0.00 C ATOM 378 C ASP A 27 -0.522 -2.397 -15.561 1.00 0.00 C ATOM 379 O ASP A 27 0.076 -3.146 -16.332 1.00 0.00 O ATOM 380 CB ASP A 27 -1.588 -0.468 -16.688 1.00 0.00 C ATOM 381 CG ASP A 27 -0.945 -0.616 -18.068 1.00 0.00 C ATOM 382 OD1 ASP A 27 -1.716 -0.772 -19.040 1.00 0.00 O ATOM 383 OD2 ASP A 27 0.303 -0.569 -18.121 1.00 0.00 O ATOM 0 H ASP A 27 -3.161 -0.672 -14.745 1.00 0.00 H new ATOM 0 HA ASP A 27 -2.422 -2.451 -16.618 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -2.527 0.074 -16.798 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -0.937 0.145 -16.064 1.00 0.00 H new ATOM 388 N GLU A 28 -0.086 -2.056 -14.357 1.00 0.00 N ATOM 389 CA GLU A 28 1.176 -2.563 -13.847 1.00 0.00 C ATOM 390 C GLU A 28 0.928 -3.568 -12.720 1.00 0.00 C ATOM 391 O GLU A 28 -0.219 -3.846 -12.373 1.00 0.00 O ATOM 392 CB GLU A 28 2.075 -1.420 -13.373 1.00 0.00 C ATOM 393 CG GLU A 28 1.539 -0.068 -13.847 1.00 0.00 C ATOM 394 CD GLU A 28 1.417 -0.031 -15.372 1.00 0.00 C ATOM 395 OE1 GLU A 28 1.686 -1.084 -15.989 1.00 0.00 O ATOM 396 OE2 GLU A 28 1.057 1.050 -15.887 1.00 0.00 O ATOM 0 H GLU A 28 -0.585 -1.435 -13.720 1.00 0.00 H new ATOM 0 HA GLU A 28 1.693 -3.076 -14.658 1.00 0.00 H new ATOM 0 HB2 GLU A 28 2.138 -1.429 -12.285 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.086 -1.567 -13.752 1.00 0.00 H new ATOM 0 HG2 GLU A 28 0.565 0.119 -13.396 1.00 0.00 H new ATOM 0 HG3 GLU A 28 2.204 0.728 -13.512 1.00 0.00 H new ATOM 403 N PRO A 29 2.050 -4.099 -12.166 1.00 0.00 N ATOM 404 CA PRO A 29 1.965 -5.067 -11.085 1.00 0.00 C ATOM 405 C PRO A 29 1.595 -4.386 -9.767 1.00 0.00 C ATOM 406 O PRO A 29 1.543 -3.160 -9.690 1.00 0.00 O ATOM 407 CB PRO A 29 3.331 -5.734 -11.046 1.00 0.00 C ATOM 408 CG PRO A 29 4.272 -4.799 -11.789 1.00 0.00 C ATOM 409 CD PRO A 29 3.425 -3.793 -12.551 1.00 0.00 C ATOM 0 HA PRO A 29 1.180 -5.806 -11.243 1.00 0.00 H new ATOM 0 HB2 PRO A 29 3.662 -5.886 -10.019 1.00 0.00 H new ATOM 0 HB3 PRO A 29 3.300 -6.715 -11.520 1.00 0.00 H new ATOM 0 HG2 PRO A 29 4.934 -4.288 -11.089 1.00 0.00 H new ATOM 0 HG3 PRO A 29 4.906 -5.361 -12.475 1.00 0.00 H new ATOM 0 HD2 PRO A 29 3.692 -2.770 -12.287 1.00 0.00 H new ATOM 0 HD3 PRO A 29 3.566 -3.891 -13.627 1.00 0.00 H new ATOM 417 N PRO A 30 1.339 -5.234 -8.734 1.00 0.00 N ATOM 418 CA PRO A 30 0.974 -4.727 -7.422 1.00 0.00 C ATOM 419 C PRO A 30 2.194 -4.155 -6.697 1.00 0.00 C ATOM 420 O PRO A 30 2.056 -3.312 -5.812 1.00 0.00 O ATOM 421 CB PRO A 30 0.355 -5.912 -6.700 1.00 0.00 C ATOM 422 CG PRO A 30 0.815 -7.148 -7.457 1.00 0.00 C ATOM 423 CD PRO A 30 1.390 -6.692 -8.788 1.00 0.00 C ATOM 0 HA PRO A 30 0.269 -3.897 -7.473 1.00 0.00 H new ATOM 0 HB2 PRO A 30 0.679 -5.948 -5.660 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -0.733 -5.840 -6.693 1.00 0.00 H new ATOM 0 HG2 PRO A 30 1.566 -7.690 -6.882 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -0.019 -7.831 -7.616 1.00 0.00 H new ATOM 0 HD2 PRO A 30 2.412 -7.048 -8.921 1.00 0.00 H new ATOM 0 HD3 PRO A 30 0.807 -7.078 -9.624 1.00 0.00 H new ATOM 431 N MET A 31 3.361 -4.638 -7.098 1.00 0.00 N ATOM 432 CA MET A 31 4.604 -4.186 -6.497 1.00 0.00 C ATOM 433 C MET A 31 4.664 -2.658 -6.445 1.00 0.00 C ATOM 434 O MET A 31 5.087 -2.083 -5.443 1.00 0.00 O ATOM 435 CB MET A 31 5.787 -4.716 -7.311 1.00 0.00 C ATOM 436 CG MET A 31 5.617 -6.205 -7.618 1.00 0.00 C ATOM 437 SD MET A 31 7.205 -7.020 -7.585 1.00 0.00 S ATOM 438 CE MET A 31 7.106 -7.827 -5.997 1.00 0.00 C ATOM 0 H MET A 31 3.472 -5.338 -7.832 1.00 0.00 H new ATOM 0 HA MET A 31 4.653 -4.568 -5.477 1.00 0.00 H new ATOM 0 HB2 MET A 31 5.872 -4.156 -8.242 1.00 0.00 H new ATOM 0 HB3 MET A 31 6.713 -4.558 -6.758 1.00 0.00 H new ATOM 0 HG2 MET A 31 4.949 -6.662 -6.887 1.00 0.00 H new ATOM 0 HG3 MET A 31 5.154 -6.333 -8.596 1.00 0.00 H new ATOM 0 HE1 MET A 31 8.022 -7.641 -5.436 1.00 0.00 H new ATOM 0 HE2 MET A 31 6.254 -7.434 -5.442 1.00 0.00 H new ATOM 0 HE3 MET A 31 6.981 -8.900 -6.141 1.00 0.00 H new ATOM 448 N VAL A 32 4.235 -2.043 -7.537 1.00 0.00 N ATOM 449 CA VAL A 32 4.234 -0.593 -7.628 1.00 0.00 C ATOM 450 C VAL A 32 3.356 -0.016 -6.516 1.00 0.00 C ATOM 451 O VAL A 32 3.822 0.780 -5.702 1.00 0.00 O ATOM 452 CB VAL A 32 3.791 -0.156 -9.026 1.00 0.00 C ATOM 453 CG1 VAL A 32 4.082 1.328 -9.255 1.00 0.00 C ATOM 454 CG2 VAL A 32 4.452 -1.017 -10.105 1.00 0.00 C ATOM 0 H VAL A 32 3.886 -2.523 -8.367 1.00 0.00 H new ATOM 0 HA VAL A 32 5.241 -0.202 -7.483 1.00 0.00 H new ATOM 0 HB VAL A 32 2.713 -0.300 -9.096 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.757 1.612 -10.256 1.00 0.00 H new ATOM 0 HG12 VAL A 32 3.544 1.922 -8.517 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.152 1.508 -9.156 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.120 -0.686 -11.089 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.535 -0.919 -10.035 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.172 -2.060 -9.960 1.00 0.00 H new ATOM 464 N PHE A 33 2.101 -0.441 -6.516 1.00 0.00 N ATOM 465 CA PHE A 33 1.154 0.023 -5.517 1.00 0.00 C ATOM 466 C PHE A 33 1.699 -0.189 -4.104 1.00 0.00 C ATOM 467 O PHE A 33 1.407 0.589 -3.198 1.00 0.00 O ATOM 468 CB PHE A 33 -0.120 -0.806 -5.689 1.00 0.00 C ATOM 469 CG PHE A 33 -1.185 -0.540 -4.624 1.00 0.00 C ATOM 470 CD1 PHE A 33 -1.825 0.660 -4.587 1.00 0.00 C ATOM 471 CD2 PHE A 33 -1.493 -1.502 -3.714 1.00 0.00 C ATOM 472 CE1 PHE A 33 -2.813 0.908 -3.598 1.00 0.00 C ATOM 473 CE2 PHE A 33 -2.481 -1.255 -2.725 1.00 0.00 C ATOM 474 CZ PHE A 33 -3.120 -0.055 -2.688 1.00 0.00 C ATOM 0 H PHE A 33 1.718 -1.102 -7.192 1.00 0.00 H new ATOM 0 HA PHE A 33 0.967 1.089 -5.649 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -0.545 -0.601 -6.672 1.00 0.00 H new ATOM 0 HB3 PHE A 33 0.142 -1.864 -5.670 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -1.581 1.424 -5.310 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -0.986 -2.455 -3.744 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -3.321 1.861 -3.568 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -2.725 -2.020 -2.002 1.00 0.00 H new ATOM 0 HZ PHE A 33 -3.872 0.133 -1.936 1.00 0.00 H new ATOM 484 N LYS A 34 2.483 -1.248 -3.959 1.00 0.00 N ATOM 485 CA LYS A 34 3.072 -1.573 -2.672 1.00 0.00 C ATOM 486 C LYS A 34 4.368 -0.779 -2.494 1.00 0.00 C ATOM 487 O LYS A 34 4.854 -0.619 -1.375 1.00 0.00 O ATOM 488 CB LYS A 34 3.253 -3.086 -2.532 1.00 0.00 C ATOM 489 CG LYS A 34 1.900 -3.793 -2.437 1.00 0.00 C ATOM 490 CD LYS A 34 2.057 -5.200 -1.855 1.00 0.00 C ATOM 491 CE LYS A 34 0.921 -6.114 -2.319 1.00 0.00 C ATOM 492 NZ LYS A 34 0.885 -7.349 -1.504 1.00 0.00 N ATOM 0 H LYS A 34 2.724 -1.892 -4.713 1.00 0.00 H new ATOM 0 HA LYS A 34 2.404 -1.279 -1.862 1.00 0.00 H new ATOM 0 HB2 LYS A 34 3.809 -3.470 -3.387 1.00 0.00 H new ATOM 0 HB3 LYS A 34 3.845 -3.304 -1.643 1.00 0.00 H new ATOM 0 HG2 LYS A 34 1.224 -3.210 -1.812 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.447 -3.853 -3.426 1.00 0.00 H new ATOM 0 HD2 LYS A 34 3.015 -5.620 -2.162 1.00 0.00 H new ATOM 0 HD3 LYS A 34 2.066 -5.148 -0.766 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -0.031 -5.590 -2.239 1.00 0.00 H new ATOM 0 HE3 LYS A 34 1.057 -6.368 -3.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 0.334 -8.077 -2.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 1.855 -7.692 -1.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 0.440 -7.146 -0.586 1.00 0.00 H new ATOM 506 N ALA A 35 4.892 -0.304 -3.614 1.00 0.00 N ATOM 507 CA ALA A 35 6.122 0.469 -3.596 1.00 0.00 C ATOM 508 C ALA A 35 5.858 1.824 -2.936 1.00 0.00 C ATOM 509 O ALA A 35 6.744 2.389 -2.296 1.00 0.00 O ATOM 510 CB ALA A 35 6.658 0.610 -5.023 1.00 0.00 C ATOM 0 H ALA A 35 4.487 -0.440 -4.540 1.00 0.00 H new ATOM 0 HA ALA A 35 6.887 -0.040 -3.009 1.00 0.00 H new ATOM 0 HB1 ALA A 35 7.581 1.190 -5.009 1.00 0.00 H new ATOM 0 HB2 ALA A 35 6.857 -0.379 -5.436 1.00 0.00 H new ATOM 0 HB3 ALA A 35 5.918 1.119 -5.641 1.00 0.00 H new ATOM 516 N GLN A 36 4.637 2.306 -3.115 1.00 0.00 N ATOM 517 CA GLN A 36 4.246 3.584 -2.544 1.00 0.00 C ATOM 518 C GLN A 36 3.953 3.431 -1.050 1.00 0.00 C ATOM 519 O GLN A 36 4.375 4.258 -0.243 1.00 0.00 O ATOM 520 CB GLN A 36 3.040 4.167 -3.282 1.00 0.00 C ATOM 521 CG GLN A 36 2.581 5.475 -2.634 1.00 0.00 C ATOM 522 CD GLN A 36 1.309 6.002 -3.303 1.00 0.00 C ATOM 523 OE1 GLN A 36 0.485 6.636 -2.474 1.00 0.00 O flip ATOM 524 NE2 GLN A 36 1.091 5.842 -4.493 1.00 0.00 N flip ATOM 0 H GLN A 36 3.905 1.835 -3.647 1.00 0.00 H new ATOM 0 HA GLN A 36 5.075 4.282 -2.662 1.00 0.00 H new ATOM 0 HB2 GLN A 36 3.299 4.345 -4.326 1.00 0.00 H new ATOM 0 HB3 GLN A 36 2.222 3.447 -3.275 1.00 0.00 H new ATOM 0 HG2 GLN A 36 2.397 5.314 -1.572 1.00 0.00 H new ATOM 0 HG3 GLN A 36 3.372 6.221 -2.711 1.00 0.00 H new ATOM 0 HE21 GLN A 36 1.767 5.345 -5.073 1.00 0.00 H new ATOM 0 HE22 GLN A 36 0.233 6.205 -4.908 1.00 0.00 H new ATOM 533 N LEU A 37 3.233 2.367 -0.727 1.00 0.00 N ATOM 534 CA LEU A 37 2.878 2.095 0.656 1.00 0.00 C ATOM 535 C LEU A 37 4.149 2.069 1.508 1.00 0.00 C ATOM 536 O LEU A 37 4.123 2.442 2.680 1.00 0.00 O ATOM 537 CB LEU A 37 2.047 0.814 0.754 1.00 0.00 C ATOM 538 CG LEU A 37 0.753 0.791 -0.063 1.00 0.00 C ATOM 539 CD1 LEU A 37 -0.282 -0.137 0.577 1.00 0.00 C ATOM 540 CD2 LEU A 37 0.207 2.205 -0.267 1.00 0.00 C ATOM 0 H LEU A 37 2.886 1.683 -1.399 1.00 0.00 H new ATOM 0 HA LEU A 37 2.245 2.890 1.050 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.668 -0.024 0.438 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.795 0.647 1.801 1.00 0.00 H new ATOM 0 HG LEU A 37 0.980 0.389 -1.051 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.192 -0.136 -0.023 1.00 0.00 H new ATOM 0 HD12 LEU A 37 0.118 -1.150 0.626 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.510 0.212 1.584 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -0.713 2.159 -0.851 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.000 2.658 0.702 1.00 0.00 H new ATOM 0 HD23 LEU A 37 0.944 2.807 -0.798 1.00 0.00 H new ATOM 552 N PHE A 38 5.232 1.626 0.886 1.00 0.00 N ATOM 553 CA PHE A 38 6.510 1.547 1.572 1.00 0.00 C ATOM 554 C PHE A 38 6.926 2.916 2.115 1.00 0.00 C ATOM 555 O PHE A 38 7.553 3.005 3.169 1.00 0.00 O ATOM 556 CB PHE A 38 7.543 1.085 0.542 1.00 0.00 C ATOM 557 CG PHE A 38 8.952 0.908 1.111 1.00 0.00 C ATOM 558 CD1 PHE A 38 9.141 0.858 2.457 1.00 0.00 C ATOM 559 CD2 PHE A 38 10.016 0.800 0.271 1.00 0.00 C ATOM 560 CE1 PHE A 38 10.449 0.693 2.985 1.00 0.00 C ATOM 561 CE2 PHE A 38 11.324 0.636 0.798 1.00 0.00 C ATOM 562 CZ PHE A 38 11.513 0.586 2.144 1.00 0.00 C ATOM 0 H PHE A 38 5.250 1.318 -0.086 1.00 0.00 H new ATOM 0 HA PHE A 38 6.439 0.858 2.414 1.00 0.00 H new ATOM 0 HB2 PHE A 38 7.214 0.139 0.112 1.00 0.00 H new ATOM 0 HB3 PHE A 38 7.579 1.809 -0.272 1.00 0.00 H new ATOM 0 HD1 PHE A 38 8.296 0.944 3.124 1.00 0.00 H new ATOM 0 HD2 PHE A 38 9.866 0.839 -0.798 1.00 0.00 H new ATOM 0 HE1 PHE A 38 10.599 0.652 4.054 1.00 0.00 H new ATOM 0 HE2 PHE A 38 12.169 0.551 0.130 1.00 0.00 H new ATOM 0 HZ PHE A 38 12.508 0.461 2.545 1.00 0.00 H new ATOM 572 N ALA A 39 6.560 3.949 1.370 1.00 0.00 N ATOM 573 CA ALA A 39 6.888 5.308 1.763 1.00 0.00 C ATOM 574 C ALA A 39 5.743 5.882 2.601 1.00 0.00 C ATOM 575 O ALA A 39 5.888 6.938 3.216 1.00 0.00 O ATOM 576 CB ALA A 39 7.174 6.146 0.515 1.00 0.00 C ATOM 0 H ALA A 39 6.039 3.872 0.496 1.00 0.00 H new ATOM 0 HA ALA A 39 7.787 5.323 2.379 1.00 0.00 H new ATOM 0 HB1 ALA A 39 7.420 7.166 0.810 1.00 0.00 H new ATOM 0 HB2 ALA A 39 8.013 5.713 -0.029 1.00 0.00 H new ATOM 0 HB3 ALA A 39 6.292 6.157 -0.126 1.00 0.00 H new ATOM 582 N LEU A 40 4.631 5.162 2.598 1.00 0.00 N ATOM 583 CA LEU A 40 3.463 5.586 3.350 1.00 0.00 C ATOM 584 C LEU A 40 3.655 5.232 4.826 1.00 0.00 C ATOM 585 O LEU A 40 3.484 6.082 5.699 1.00 0.00 O ATOM 586 CB LEU A 40 2.190 4.998 2.738 1.00 0.00 C ATOM 587 CG LEU A 40 1.818 5.508 1.344 1.00 0.00 C ATOM 588 CD1 LEU A 40 0.401 5.077 0.962 1.00 0.00 C ATOM 589 CD2 LEU A 40 2.002 7.023 1.247 1.00 0.00 C ATOM 0 H LEU A 40 4.514 4.287 2.086 1.00 0.00 H new ATOM 0 HA LEU A 40 3.347 6.668 3.294 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.301 3.915 2.689 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.358 5.203 3.412 1.00 0.00 H new ATOM 0 HG LEU A 40 2.498 5.055 0.622 1.00 0.00 H new ATOM 0 HD11 LEU A 40 0.162 5.453 -0.033 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.339 3.989 0.964 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.309 5.482 1.683 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.731 7.359 0.246 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.363 7.515 1.981 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.043 7.276 1.445 1.00 0.00 H new ATOM 601 N THR A 41 4.009 3.977 5.059 1.00 0.00 N ATOM 602 CA THR A 41 4.227 3.501 6.415 1.00 0.00 C ATOM 603 C THR A 41 5.719 3.270 6.665 1.00 0.00 C ATOM 604 O THR A 41 6.294 3.847 7.587 1.00 0.00 O ATOM 605 CB THR A 41 3.375 2.246 6.618 1.00 0.00 C ATOM 606 OG1 THR A 41 4.055 1.240 5.872 1.00 0.00 O ATOM 607 CG2 THR A 41 2.007 2.351 5.940 1.00 0.00 C ATOM 0 H THR A 41 4.150 3.275 4.332 1.00 0.00 H new ATOM 0 HA THR A 41 3.917 4.244 7.150 1.00 0.00 H new ATOM 0 HB THR A 41 3.239 2.069 7.685 1.00 0.00 H new ATOM 0 HG1 THR A 41 3.794 1.299 4.929 1.00 0.00 H new ATOM 0 HG21 THR A 41 1.443 1.435 6.115 1.00 0.00 H new ATOM 0 HG22 THR A 41 1.460 3.198 6.354 1.00 0.00 H new ATOM 0 HG23 THR A 41 2.142 2.495 4.868 1.00 0.00 H new ATOM 615 N GLY A 42 6.303 2.424 5.829 1.00 0.00 N ATOM 616 CA GLY A 42 7.716 2.109 5.949 1.00 0.00 C ATOM 617 C GLY A 42 7.966 0.616 5.731 1.00 0.00 C ATOM 618 O GLY A 42 9.111 0.187 5.597 1.00 0.00 O ATOM 0 H GLY A 42 5.823 1.947 5.066 1.00 0.00 H new ATOM 0 HA2 GLY A 42 8.284 2.687 5.220 1.00 0.00 H new ATOM 0 HA3 GLY A 42 8.075 2.401 6.936 1.00 0.00 H new ATOM 622 N VAL A 43 6.875 -0.136 5.701 1.00 0.00 N ATOM 623 CA VAL A 43 6.961 -1.573 5.501 1.00 0.00 C ATOM 624 C VAL A 43 7.249 -1.862 4.027 1.00 0.00 C ATOM 625 O VAL A 43 6.713 -1.195 3.143 1.00 0.00 O ATOM 626 CB VAL A 43 5.684 -2.248 6.005 1.00 0.00 C ATOM 627 CG1 VAL A 43 5.773 -3.769 5.857 1.00 0.00 C ATOM 628 CG2 VAL A 43 5.390 -1.855 7.454 1.00 0.00 C ATOM 0 H VAL A 43 5.927 0.223 5.812 1.00 0.00 H new ATOM 0 HA VAL A 43 7.784 -1.991 6.080 1.00 0.00 H new ATOM 0 HB VAL A 43 4.855 -1.899 5.389 1.00 0.00 H new ATOM 0 HG11 VAL A 43 4.853 -4.225 6.222 1.00 0.00 H new ATOM 0 HG12 VAL A 43 5.912 -4.025 4.807 1.00 0.00 H new ATOM 0 HG13 VAL A 43 6.617 -4.142 6.436 1.00 0.00 H new ATOM 0 HG21 VAL A 43 4.477 -2.349 7.787 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.221 -2.161 8.090 1.00 0.00 H new ATOM 0 HG23 VAL A 43 5.262 -0.774 7.519 1.00 0.00 H new ATOM 638 N GLN A 44 8.095 -2.857 3.806 1.00 0.00 N ATOM 639 CA GLN A 44 8.461 -3.243 2.454 1.00 0.00 C ATOM 640 C GLN A 44 7.231 -3.743 1.694 1.00 0.00 C ATOM 641 O GLN A 44 6.255 -4.177 2.302 1.00 0.00 O ATOM 642 CB GLN A 44 9.566 -4.301 2.466 1.00 0.00 C ATOM 643 CG GLN A 44 10.801 -3.796 3.214 1.00 0.00 C ATOM 644 CD GLN A 44 11.632 -2.861 2.333 1.00 0.00 C ATOM 645 OE1 GLN A 44 11.531 -2.860 1.117 1.00 0.00 O ATOM 646 NE2 GLN A 44 12.455 -2.068 3.012 1.00 0.00 N ATOM 0 H GLN A 44 8.538 -3.408 4.541 1.00 0.00 H new ATOM 0 HA GLN A 44 8.850 -2.365 1.939 1.00 0.00 H new ATOM 0 HB2 GLN A 44 9.197 -5.211 2.939 1.00 0.00 H new ATOM 0 HB3 GLN A 44 9.837 -4.560 1.443 1.00 0.00 H new ATOM 0 HG2 GLN A 44 10.493 -3.271 4.118 1.00 0.00 H new ATOM 0 HG3 GLN A 44 11.411 -4.643 3.529 1.00 0.00 H new ATOM 0 HE21 GLN A 44 12.490 -2.121 4.030 1.00 0.00 H new ATOM 0 HE22 GLN A 44 13.052 -1.407 2.515 1.00 0.00 H new ATOM 655 N PRO A 45 7.321 -3.662 0.339 1.00 0.00 N ATOM 656 CA PRO A 45 6.227 -4.101 -0.511 1.00 0.00 C ATOM 657 C PRO A 45 6.159 -5.628 -0.572 1.00 0.00 C ATOM 658 O PRO A 45 5.304 -6.188 -1.256 1.00 0.00 O ATOM 659 CB PRO A 45 6.500 -3.464 -1.864 1.00 0.00 C ATOM 660 CG PRO A 45 7.970 -3.076 -1.853 1.00 0.00 C ATOM 661 CD PRO A 45 8.462 -3.152 -0.417 1.00 0.00 C ATOM 0 HA PRO A 45 5.251 -3.797 -0.132 1.00 0.00 H new ATOM 0 HB2 PRO A 45 6.286 -4.161 -2.674 1.00 0.00 H new ATOM 0 HB3 PRO A 45 5.867 -2.591 -2.019 1.00 0.00 H new ATOM 0 HG2 PRO A 45 8.547 -3.747 -2.490 1.00 0.00 H new ATOM 0 HG3 PRO A 45 8.102 -2.069 -2.249 1.00 0.00 H new ATOM 0 HD2 PRO A 45 9.324 -3.814 -0.328 1.00 0.00 H new ATOM 0 HD3 PRO A 45 8.773 -2.173 -0.053 1.00 0.00 H new ATOM 669 N ALA A 46 7.071 -6.258 0.152 1.00 0.00 N ATOM 670 CA ALA A 46 7.126 -7.710 0.189 1.00 0.00 C ATOM 671 C ALA A 46 6.481 -8.207 1.485 1.00 0.00 C ATOM 672 O ALA A 46 5.847 -9.261 1.502 1.00 0.00 O ATOM 673 CB ALA A 46 8.578 -8.171 0.046 1.00 0.00 C ATOM 0 H ALA A 46 7.779 -5.790 0.718 1.00 0.00 H new ATOM 0 HA ALA A 46 6.566 -8.136 -0.643 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.618 -9.260 0.074 1.00 0.00 H new ATOM 0 HB2 ALA A 46 8.980 -7.817 -0.903 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.171 -7.765 0.865 1.00 0.00 H new ATOM 679 N ARG A 47 6.666 -7.426 2.538 1.00 0.00 N ATOM 680 CA ARG A 47 6.111 -7.774 3.835 1.00 0.00 C ATOM 681 C ARG A 47 4.718 -7.163 3.997 1.00 0.00 C ATOM 682 O ARG A 47 3.852 -7.746 4.647 1.00 0.00 O ATOM 683 CB ARG A 47 7.011 -7.281 4.970 1.00 0.00 C ATOM 684 CG ARG A 47 8.487 -7.516 4.640 1.00 0.00 C ATOM 685 CD ARG A 47 9.226 -8.122 5.835 1.00 0.00 C ATOM 686 NE ARG A 47 10.670 -8.234 5.533 1.00 0.00 N ATOM 687 CZ ARG A 47 11.608 -8.526 6.445 1.00 0.00 C ATOM 688 NH1 ARG A 47 11.259 -8.739 7.721 1.00 0.00 N ATOM 689 NH2 ARG A 47 12.895 -8.606 6.080 1.00 0.00 N ATOM 0 H ARG A 47 7.193 -6.553 2.520 1.00 0.00 H new ATOM 0 HA ARG A 47 6.044 -8.861 3.886 1.00 0.00 H new ATOM 0 HB2 ARG A 47 6.838 -6.219 5.141 1.00 0.00 H new ATOM 0 HB3 ARG A 47 6.754 -7.799 5.894 1.00 0.00 H new ATOM 0 HG2 ARG A 47 8.570 -8.182 3.781 1.00 0.00 H new ATOM 0 HG3 ARG A 47 8.955 -6.573 4.359 1.00 0.00 H new ATOM 0 HD2 ARG A 47 9.078 -7.500 6.718 1.00 0.00 H new ATOM 0 HD3 ARG A 47 8.817 -9.106 6.065 1.00 0.00 H new ATOM 0 HE ARG A 47 10.971 -8.079 4.571 1.00 0.00 H new ATOM 0 HH11 ARG A 47 10.279 -8.679 7.999 1.00 0.00 H new ATOM 0 HH12 ARG A 47 11.973 -8.961 8.415 1.00 0.00 H new ATOM 0 HH21 ARG A 47 13.161 -8.445 5.108 1.00 0.00 H new ATOM 0 HH22 ARG A 47 13.609 -8.828 6.774 1.00 0.00 H new ATOM 703 N GLN A 48 4.545 -5.996 3.394 1.00 0.00 N ATOM 704 CA GLN A 48 3.271 -5.299 3.463 1.00 0.00 C ATOM 705 C GLN A 48 2.135 -6.225 3.025 1.00 0.00 C ATOM 706 O GLN A 48 1.919 -6.427 1.831 1.00 0.00 O ATOM 707 CB GLN A 48 3.297 -4.025 2.617 1.00 0.00 C ATOM 708 CG GLN A 48 3.912 -2.861 3.397 1.00 0.00 C ATOM 709 CD GLN A 48 3.942 -1.588 2.549 1.00 0.00 C ATOM 710 OE1 GLN A 48 3.278 -0.605 2.835 1.00 0.00 O ATOM 711 NE2 GLN A 48 4.747 -1.660 1.493 1.00 0.00 N ATOM 0 H GLN A 48 5.266 -5.515 2.855 1.00 0.00 H new ATOM 0 HA GLN A 48 3.095 -5.005 4.498 1.00 0.00 H new ATOM 0 HB2 GLN A 48 3.870 -4.200 1.707 1.00 0.00 H new ATOM 0 HB3 GLN A 48 2.283 -3.767 2.311 1.00 0.00 H new ATOM 0 HG2 GLN A 48 3.337 -2.683 4.306 1.00 0.00 H new ATOM 0 HG3 GLN A 48 4.925 -3.120 3.706 1.00 0.00 H new ATOM 0 HE21 GLN A 48 5.275 -2.514 1.311 1.00 0.00 H new ATOM 0 HE22 GLN A 48 4.837 -0.862 0.865 1.00 0.00 H new ATOM 720 N LYS A 49 1.439 -6.765 4.015 1.00 0.00 N ATOM 721 CA LYS A 49 0.330 -7.665 3.747 1.00 0.00 C ATOM 722 C LYS A 49 -0.874 -6.854 3.265 1.00 0.00 C ATOM 723 O LYS A 49 -1.605 -6.281 4.072 1.00 0.00 O ATOM 724 CB LYS A 49 0.037 -8.533 4.972 1.00 0.00 C ATOM 725 CG LYS A 49 -0.720 -9.802 4.576 1.00 0.00 C ATOM 726 CD LYS A 49 -1.418 -10.425 5.787 1.00 0.00 C ATOM 727 CE LYS A 49 -2.761 -11.040 5.390 1.00 0.00 C ATOM 728 NZ LYS A 49 -3.401 -11.687 6.557 1.00 0.00 N ATOM 0 H LYS A 49 1.622 -6.596 5.004 1.00 0.00 H new ATOM 0 HA LYS A 49 0.587 -8.360 2.947 1.00 0.00 H new ATOM 0 HB2 LYS A 49 0.972 -8.801 5.464 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -0.551 -7.965 5.693 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -1.457 -9.565 3.809 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -0.027 -10.522 4.141 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -0.779 -11.191 6.225 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -1.574 -9.664 6.552 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -3.417 -10.267 4.990 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -2.612 -11.773 4.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -4.312 -12.099 6.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -2.781 -12.438 6.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -3.561 -10.979 7.302 1.00 0.00 H new ATOM 742 N VAL A 50 -1.044 -6.831 1.951 1.00 0.00 N ATOM 743 CA VAL A 50 -2.147 -6.100 1.352 1.00 0.00 C ATOM 744 C VAL A 50 -3.315 -7.058 1.107 1.00 0.00 C ATOM 745 O VAL A 50 -3.307 -7.819 0.141 1.00 0.00 O ATOM 746 CB VAL A 50 -1.677 -5.394 0.078 1.00 0.00 C ATOM 747 CG1 VAL A 50 -2.768 -4.475 -0.474 1.00 0.00 C ATOM 748 CG2 VAL A 50 -0.381 -4.620 0.328 1.00 0.00 C ATOM 0 H VAL A 50 -0.436 -7.307 1.285 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.500 -5.321 2.028 1.00 0.00 H new ATOM 0 HB VAL A 50 -1.472 -6.157 -0.673 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.408 -3.986 -1.379 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.655 -5.063 -0.708 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -3.019 -3.720 0.271 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.068 -4.127 -0.593 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -0.548 -3.871 1.102 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.398 -5.310 0.653 1.00 0.00 H new ATOM 758 N MET A 51 -4.292 -6.989 2.000 1.00 0.00 N ATOM 759 CA MET A 51 -5.464 -7.841 1.894 1.00 0.00 C ATOM 760 C MET A 51 -6.420 -7.326 0.815 1.00 0.00 C ATOM 761 O MET A 51 -6.237 -6.228 0.292 1.00 0.00 O ATOM 762 CB MET A 51 -6.189 -7.882 3.241 1.00 0.00 C ATOM 763 CG MET A 51 -5.735 -9.085 4.070 1.00 0.00 C ATOM 764 SD MET A 51 -7.110 -10.188 4.350 1.00 0.00 S ATOM 765 CE MET A 51 -7.287 -10.884 2.716 1.00 0.00 C ATOM 0 H MET A 51 -4.296 -6.356 2.800 1.00 0.00 H new ATOM 0 HA MET A 51 -5.138 -8.843 1.616 1.00 0.00 H new ATOM 0 HB2 MET A 51 -5.994 -6.962 3.791 1.00 0.00 H new ATOM 0 HB3 MET A 51 -7.265 -7.934 3.078 1.00 0.00 H new ATOM 0 HG2 MET A 51 -4.935 -9.613 3.552 1.00 0.00 H new ATOM 0 HG3 MET A 51 -5.329 -8.747 5.024 1.00 0.00 H new ATOM 0 HE1 MET A 51 -8.148 -10.435 2.221 1.00 0.00 H new ATOM 0 HE2 MET A 51 -6.387 -10.681 2.135 1.00 0.00 H new ATOM 0 HE3 MET A 51 -7.434 -11.961 2.793 1.00 0.00 H new ATOM 775 N VAL A 52 -7.419 -8.143 0.515 1.00 0.00 N ATOM 776 CA VAL A 52 -8.403 -7.784 -0.491 1.00 0.00 C ATOM 777 C VAL A 52 -9.801 -8.142 0.018 1.00 0.00 C ATOM 778 O VAL A 52 -9.948 -9.008 0.879 1.00 0.00 O ATOM 779 CB VAL A 52 -8.061 -8.458 -1.821 1.00 0.00 C ATOM 780 CG1 VAL A 52 -8.955 -7.934 -2.947 1.00 0.00 C ATOM 781 CG2 VAL A 52 -6.582 -8.273 -2.165 1.00 0.00 C ATOM 0 H VAL A 52 -7.568 -9.053 0.951 1.00 0.00 H new ATOM 0 HA VAL A 52 -8.388 -6.709 -0.673 1.00 0.00 H new ATOM 0 HB VAL A 52 -8.249 -9.526 -1.713 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -8.691 -8.429 -3.881 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -9.998 -8.140 -2.709 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -8.813 -6.859 -3.054 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -6.366 -8.762 -3.115 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -6.357 -7.209 -2.244 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -5.968 -8.716 -1.381 1.00 0.00 H new ATOM 791 N LYS A 53 -10.791 -7.458 -0.535 1.00 0.00 N ATOM 792 CA LYS A 53 -12.171 -7.692 -0.148 1.00 0.00 C ATOM 793 C LYS A 53 -12.349 -9.167 0.220 1.00 0.00 C ATOM 794 O LYS A 53 -12.994 -9.488 1.217 1.00 0.00 O ATOM 795 CB LYS A 53 -13.125 -7.212 -1.244 1.00 0.00 C ATOM 796 CG LYS A 53 -13.020 -5.698 -1.437 1.00 0.00 C ATOM 797 CD LYS A 53 -14.063 -4.964 -0.592 1.00 0.00 C ATOM 798 CE LYS A 53 -14.350 -3.574 -1.162 1.00 0.00 C ATOM 799 NZ LYS A 53 -15.724 -3.146 -0.817 1.00 0.00 N ATOM 0 H LYS A 53 -10.664 -6.741 -1.249 1.00 0.00 H new ATOM 0 HA LYS A 53 -12.422 -7.109 0.738 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -12.893 -7.719 -2.181 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -14.149 -7.479 -0.982 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -12.021 -5.361 -1.161 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -13.160 -5.451 -2.489 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -14.985 -5.545 -0.560 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -13.707 -4.874 0.434 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -13.630 -2.857 -0.768 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -14.228 -3.586 -2.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -15.902 -2.200 -1.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -16.408 -3.821 -1.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -15.829 -3.115 0.217 1.00 0.00 H new ATOM 813 N GLY A 54 -11.767 -10.024 -0.605 1.00 0.00 N ATOM 814 CA GLY A 54 -11.853 -11.457 -0.380 1.00 0.00 C ATOM 815 C GLY A 54 -10.671 -12.186 -1.023 1.00 0.00 C ATOM 816 O GLY A 54 -10.852 -13.209 -1.681 1.00 0.00 O ATOM 0 H GLY A 54 -11.233 -9.754 -1.431 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -11.871 -11.660 0.691 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -12.787 -11.838 -0.792 1.00 0.00 H new ATOM 820 N GLY A 55 -9.488 -11.629 -0.810 1.00 0.00 N ATOM 821 CA GLY A 55 -8.277 -12.213 -1.361 1.00 0.00 C ATOM 822 C GLY A 55 -7.040 -11.428 -0.921 1.00 0.00 C ATOM 823 O GLY A 55 -7.133 -10.538 -0.077 1.00 0.00 O ATOM 0 H GLY A 55 -9.342 -10.780 -0.264 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -8.189 -13.250 -1.036 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -8.337 -12.224 -2.449 1.00 0.00 H new ATOM 827 N THR A 56 -5.910 -11.785 -1.513 1.00 0.00 N ATOM 828 CA THR A 56 -4.655 -11.125 -1.193 1.00 0.00 C ATOM 829 C THR A 56 -4.020 -10.544 -2.458 1.00 0.00 C ATOM 830 O THR A 56 -4.072 -11.160 -3.521 1.00 0.00 O ATOM 831 CB THR A 56 -3.760 -12.135 -0.472 1.00 0.00 C ATOM 832 OG1 THR A 56 -4.566 -12.607 0.604 1.00 0.00 O ATOM 833 CG2 THR A 56 -2.568 -11.471 0.220 1.00 0.00 C ATOM 0 H THR A 56 -5.837 -12.523 -2.213 1.00 0.00 H new ATOM 0 HA THR A 56 -4.813 -10.276 -0.528 1.00 0.00 H new ATOM 0 HB THR A 56 -3.400 -12.875 -1.186 1.00 0.00 H new ATOM 0 HG1 THR A 56 -4.063 -13.268 1.124 1.00 0.00 H new ATOM 0 HG21 THR A 56 -1.965 -12.232 0.716 1.00 0.00 H new ATOM 0 HG22 THR A 56 -1.960 -10.953 -0.521 1.00 0.00 H new ATOM 0 HG23 THR A 56 -2.929 -10.755 0.959 1.00 0.00 H new ATOM 841 N LEU A 57 -3.436 -9.366 -2.300 1.00 0.00 N ATOM 842 CA LEU A 57 -2.791 -8.695 -3.416 1.00 0.00 C ATOM 843 C LEU A 57 -1.482 -9.412 -3.749 1.00 0.00 C ATOM 844 O LEU A 57 -0.570 -9.461 -2.926 1.00 0.00 O ATOM 845 CB LEU A 57 -2.617 -7.204 -3.117 1.00 0.00 C ATOM 846 CG LEU A 57 -2.950 -6.247 -4.264 1.00 0.00 C ATOM 847 CD1 LEU A 57 -2.118 -4.967 -4.168 1.00 0.00 C ATOM 848 CD2 LEU A 57 -2.785 -6.937 -5.619 1.00 0.00 C ATOM 0 H LEU A 57 -3.396 -8.859 -1.416 1.00 0.00 H new ATOM 0 HA LEU A 57 -3.419 -8.747 -4.306 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.245 -6.949 -2.263 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.584 -7.032 -2.815 1.00 0.00 H new ATOM 0 HG LEU A 57 -3.997 -5.958 -4.175 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.374 -4.304 -4.995 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -2.328 -4.466 -3.223 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -1.058 -5.217 -4.218 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -3.028 -6.235 -6.417 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -1.755 -7.273 -5.733 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -3.455 -7.795 -5.674 1.00 0.00 H new ATOM 860 N LYS A 58 -1.431 -9.951 -4.959 1.00 0.00 N ATOM 861 CA LYS A 58 -0.248 -10.664 -5.411 1.00 0.00 C ATOM 862 C LYS A 58 0.943 -9.703 -5.434 1.00 0.00 C ATOM 863 O LYS A 58 0.832 -8.560 -4.995 1.00 0.00 O ATOM 864 CB LYS A 58 -0.514 -11.346 -6.755 1.00 0.00 C ATOM 865 CG LYS A 58 -1.321 -12.632 -6.566 1.00 0.00 C ATOM 866 CD LYS A 58 -1.361 -13.449 -7.859 1.00 0.00 C ATOM 867 CE LYS A 58 -2.678 -14.218 -7.981 1.00 0.00 C ATOM 868 NZ LYS A 58 -2.933 -14.589 -9.391 1.00 0.00 N ATOM 0 H LYS A 58 -2.189 -9.908 -5.640 1.00 0.00 H new ATOM 0 HA LYS A 58 0.002 -11.466 -4.717 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -1.056 -10.665 -7.411 1.00 0.00 H new ATOM 0 HB3 LYS A 58 0.433 -11.575 -7.245 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -0.879 -13.229 -5.768 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -2.336 -12.386 -6.255 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -1.242 -12.786 -8.716 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -0.525 -14.148 -7.878 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -2.640 -15.116 -7.364 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -3.499 -13.607 -7.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -3.831 -15.110 -9.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -2.990 -13.728 -9.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -2.158 -15.190 -9.737 1.00 0.00 H new ATOM 882 N ASP A 59 2.056 -10.204 -5.952 1.00 0.00 N ATOM 883 CA ASP A 59 3.266 -9.404 -6.038 1.00 0.00 C ATOM 884 C ASP A 59 3.760 -9.390 -7.486 1.00 0.00 C ATOM 885 O ASP A 59 3.981 -8.324 -8.060 1.00 0.00 O ATOM 886 CB ASP A 59 4.377 -9.991 -5.165 1.00 0.00 C ATOM 887 CG ASP A 59 3.993 -10.231 -3.704 1.00 0.00 C ATOM 888 OD1 ASP A 59 3.556 -9.250 -3.064 1.00 0.00 O ATOM 889 OD2 ASP A 59 4.145 -11.389 -3.259 1.00 0.00 O ATOM 0 H ASP A 59 2.145 -11.153 -6.316 1.00 0.00 H new ATOM 0 HA ASP A 59 3.031 -8.397 -5.693 1.00 0.00 H new ATOM 0 HB2 ASP A 59 4.699 -10.937 -5.600 1.00 0.00 H new ATOM 0 HB3 ASP A 59 5.234 -9.319 -5.194 1.00 0.00 H new ATOM 894 N ASP A 60 3.920 -10.585 -8.035 1.00 0.00 N ATOM 895 CA ASP A 60 4.384 -10.723 -9.405 1.00 0.00 C ATOM 896 C ASP A 60 3.440 -9.962 -10.338 1.00 0.00 C ATOM 897 O ASP A 60 3.888 -9.208 -11.201 1.00 0.00 O ATOM 898 CB ASP A 60 4.394 -12.191 -9.838 1.00 0.00 C ATOM 899 CG ASP A 60 5.573 -13.012 -9.313 1.00 0.00 C ATOM 900 OD1 ASP A 60 6.687 -12.446 -9.278 1.00 0.00 O ATOM 901 OD2 ASP A 60 5.334 -14.186 -8.959 1.00 0.00 O ATOM 0 H ASP A 60 3.737 -11.467 -7.556 1.00 0.00 H new ATOM 0 HA ASP A 60 5.397 -10.324 -9.460 1.00 0.00 H new ATOM 0 HB2 ASP A 60 3.468 -12.659 -9.504 1.00 0.00 H new ATOM 0 HB3 ASP A 60 4.398 -12.233 -10.927 1.00 0.00 H new ATOM 906 N ASP A 61 2.150 -10.184 -10.133 1.00 0.00 N ATOM 907 CA ASP A 61 1.139 -9.528 -10.945 1.00 0.00 C ATOM 908 C ASP A 61 -0.240 -9.770 -10.328 1.00 0.00 C ATOM 909 O ASP A 61 -0.429 -10.726 -9.577 1.00 0.00 O ATOM 910 CB ASP A 61 1.126 -10.089 -12.368 1.00 0.00 C ATOM 911 CG ASP A 61 2.325 -9.691 -13.231 1.00 0.00 C ATOM 912 OD1 ASP A 61 2.265 -8.585 -13.811 1.00 0.00 O ATOM 913 OD2 ASP A 61 3.275 -10.502 -13.292 1.00 0.00 O ATOM 0 H ASP A 61 1.782 -10.809 -9.416 1.00 0.00 H new ATOM 0 HA ASP A 61 1.372 -8.464 -10.980 1.00 0.00 H new ATOM 0 HB2 ASP A 61 1.082 -11.177 -12.313 1.00 0.00 H new ATOM 0 HB3 ASP A 61 0.214 -9.758 -12.865 1.00 0.00 H new ATOM 918 N TRP A 62 -1.168 -8.888 -10.669 1.00 0.00 N ATOM 919 CA TRP A 62 -2.525 -8.994 -10.158 1.00 0.00 C ATOM 920 C TRP A 62 -3.124 -10.303 -10.677 1.00 0.00 C ATOM 921 O TRP A 62 -3.522 -11.162 -9.892 1.00 0.00 O ATOM 922 CB TRP A 62 -3.352 -7.765 -10.539 1.00 0.00 C ATOM 923 CG TRP A 62 -2.756 -6.440 -10.058 1.00 0.00 C ATOM 924 CD1 TRP A 62 -1.704 -5.778 -10.559 1.00 0.00 C ATOM 925 CD2 TRP A 62 -3.223 -5.639 -8.952 1.00 0.00 C ATOM 926 NE1 TRP A 62 -1.461 -4.613 -9.860 1.00 0.00 N ATOM 927 CE2 TRP A 62 -2.414 -4.526 -8.852 1.00 0.00 C ATOM 928 CE3 TRP A 62 -4.295 -5.848 -8.066 1.00 0.00 C ATOM 929 CZ2 TRP A 62 -2.590 -3.535 -7.879 1.00 0.00 C ATOM 930 CZ3 TRP A 62 -4.458 -4.848 -7.100 1.00 0.00 C ATOM 931 CH2 TRP A 62 -3.652 -3.721 -6.985 1.00 0.00 C ATOM 0 H TRP A 62 -1.007 -8.097 -11.293 1.00 0.00 H new ATOM 0 HA TRP A 62 -2.526 -9.018 -9.068 1.00 0.00 H new ATOM 0 HB2 TRP A 62 -3.457 -7.732 -11.623 1.00 0.00 H new ATOM 0 HB3 TRP A 62 -4.355 -7.872 -10.125 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -1.120 -6.114 -11.403 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -0.718 -3.940 -10.049 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -4.941 -6.711 -8.126 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -1.942 -2.673 -7.821 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -5.267 -4.960 -6.394 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -3.844 -2.993 -6.211 1.00 0.00 H new ATOM 942 N GLY A 63 -3.171 -10.413 -11.997 1.00 0.00 N ATOM 943 CA GLY A 63 -3.715 -11.602 -12.630 1.00 0.00 C ATOM 944 C GLY A 63 -5.138 -11.352 -13.132 1.00 0.00 C ATOM 945 O GLY A 63 -5.369 -11.269 -14.338 1.00 0.00 O ATOM 0 H GLY A 63 -2.841 -9.698 -12.645 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -3.078 -11.899 -13.463 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -3.716 -12.429 -11.920 1.00 0.00 H new ATOM 949 N ASN A 64 -6.056 -11.240 -12.183 1.00 0.00 N ATOM 950 CA ASN A 64 -7.450 -11.002 -12.515 1.00 0.00 C ATOM 951 C ASN A 64 -8.175 -10.449 -11.286 1.00 0.00 C ATOM 952 O ASN A 64 -9.336 -10.776 -11.045 1.00 0.00 O ATOM 953 CB ASN A 64 -8.147 -12.299 -12.930 1.00 0.00 C ATOM 954 CG ASN A 64 -9.161 -12.044 -14.047 1.00 0.00 C ATOM 955 OD1 ASN A 64 -9.310 -10.940 -14.545 1.00 0.00 O ATOM 956 ND2 ASN A 64 -9.849 -13.123 -14.410 1.00 0.00 N ATOM 0 H ASN A 64 -5.861 -11.310 -11.184 1.00 0.00 H new ATOM 0 HA ASN A 64 -7.483 -10.294 -13.343 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -7.405 -13.023 -13.266 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -8.652 -12.736 -12.069 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -10.551 -13.056 -15.147 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -9.674 -14.017 -13.952 1.00 0.00 H new ATOM 963 N ILE A 65 -7.459 -9.620 -10.540 1.00 0.00 N ATOM 964 CA ILE A 65 -8.020 -9.018 -9.342 1.00 0.00 C ATOM 965 C ILE A 65 -9.161 -8.078 -9.735 1.00 0.00 C ATOM 966 O ILE A 65 -9.122 -7.456 -10.795 1.00 0.00 O ATOM 967 CB ILE A 65 -6.922 -8.341 -8.519 1.00 0.00 C ATOM 968 CG1 ILE A 65 -6.134 -9.370 -7.705 1.00 0.00 C ATOM 969 CG2 ILE A 65 -7.502 -7.234 -7.636 1.00 0.00 C ATOM 970 CD1 ILE A 65 -7.034 -10.061 -6.678 1.00 0.00 C ATOM 0 H ILE A 65 -6.496 -9.351 -10.742 1.00 0.00 H new ATOM 0 HA ILE A 65 -8.446 -9.784 -8.694 1.00 0.00 H new ATOM 0 HB ILE A 65 -6.221 -7.869 -9.207 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -5.701 -10.114 -8.374 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -5.305 -8.879 -7.196 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -6.701 -6.769 -7.062 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -7.982 -6.483 -8.263 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -8.237 -7.661 -6.954 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -6.450 -10.787 -6.113 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -7.446 -9.317 -5.996 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -7.848 -10.572 -7.193 1.00 0.00 H new ATOM 982 N LYS A 66 -10.152 -8.004 -8.858 1.00 0.00 N ATOM 983 CA LYS A 66 -11.303 -7.151 -9.100 1.00 0.00 C ATOM 984 C LYS A 66 -11.112 -5.823 -8.364 1.00 0.00 C ATOM 985 O LYS A 66 -11.791 -5.555 -7.374 1.00 0.00 O ATOM 986 CB LYS A 66 -12.597 -7.879 -8.729 1.00 0.00 C ATOM 987 CG LYS A 66 -13.060 -8.789 -9.868 1.00 0.00 C ATOM 988 CD LYS A 66 -12.102 -9.969 -10.050 1.00 0.00 C ATOM 989 CE LYS A 66 -12.852 -11.214 -10.528 1.00 0.00 C ATOM 990 NZ LYS A 66 -12.973 -12.200 -9.430 1.00 0.00 N ATOM 0 H LYS A 66 -10.181 -8.521 -7.979 1.00 0.00 H new ATOM 0 HA LYS A 66 -11.388 -6.918 -10.161 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -12.440 -8.471 -7.827 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -13.376 -7.151 -8.501 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -14.063 -9.159 -9.658 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -13.119 -8.217 -10.794 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -11.329 -9.706 -10.772 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -11.599 -10.183 -9.107 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -13.843 -10.934 -10.884 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -12.325 -11.662 -11.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -13.484 -13.039 -9.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -12.024 -12.480 -9.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -13.495 -11.775 -8.638 1.00 0.00 H new ATOM 1004 N MET A 67 -10.184 -5.028 -8.876 1.00 0.00 N ATOM 1005 CA MET A 67 -9.895 -3.735 -8.280 1.00 0.00 C ATOM 1006 C MET A 67 -11.014 -2.733 -8.573 1.00 0.00 C ATOM 1007 O MET A 67 -11.725 -2.864 -9.568 1.00 0.00 O ATOM 1008 CB MET A 67 -8.573 -3.200 -8.836 1.00 0.00 C ATOM 1009 CG MET A 67 -7.380 -3.882 -8.163 1.00 0.00 C ATOM 1010 SD MET A 67 -6.468 -2.696 -7.191 1.00 0.00 S ATOM 1011 CE MET A 67 -6.816 -3.306 -5.550 1.00 0.00 C ATOM 0 H MET A 67 -9.623 -5.254 -9.697 1.00 0.00 H new ATOM 0 HA MET A 67 -9.821 -3.863 -7.200 1.00 0.00 H new ATOM 0 HB2 MET A 67 -8.533 -3.367 -9.912 1.00 0.00 H new ATOM 0 HB3 MET A 67 -8.517 -2.123 -8.679 1.00 0.00 H new ATOM 0 HG2 MET A 67 -7.727 -4.696 -7.527 1.00 0.00 H new ATOM 0 HG3 MET A 67 -6.729 -4.323 -8.918 1.00 0.00 H new ATOM 0 HE1 MET A 67 -5.882 -3.422 -4.999 1.00 0.00 H new ATOM 0 HE2 MET A 67 -7.460 -2.598 -5.028 1.00 0.00 H new ATOM 0 HE3 MET A 67 -7.319 -4.271 -5.619 1.00 0.00 H new ATOM 1021 N LYS A 68 -11.136 -1.755 -7.687 1.00 0.00 N ATOM 1022 CA LYS A 68 -12.157 -0.732 -7.838 1.00 0.00 C ATOM 1023 C LYS A 68 -11.690 0.553 -7.152 1.00 0.00 C ATOM 1024 O LYS A 68 -10.877 0.508 -6.230 1.00 0.00 O ATOM 1025 CB LYS A 68 -13.507 -1.244 -7.333 1.00 0.00 C ATOM 1026 CG LYS A 68 -14.515 -0.100 -7.208 1.00 0.00 C ATOM 1027 CD LYS A 68 -15.942 -0.637 -7.083 1.00 0.00 C ATOM 1028 CE LYS A 68 -16.173 -1.267 -5.708 1.00 0.00 C ATOM 1029 NZ LYS A 68 -17.565 -1.755 -5.588 1.00 0.00 N ATOM 0 H LYS A 68 -10.545 -1.649 -6.862 1.00 0.00 H new ATOM 0 HA LYS A 68 -12.307 -0.495 -8.891 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -13.892 -2.000 -8.017 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -13.378 -1.727 -6.364 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -14.274 0.508 -6.336 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -14.442 0.550 -8.080 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -16.654 0.173 -7.240 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -16.125 -1.378 -7.862 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -15.478 -2.093 -5.559 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -15.970 -0.534 -4.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -17.704 -2.179 -4.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -18.224 -0.959 -5.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -17.747 -2.470 -6.321 1.00 0.00 H new ATOM 1043 N ASN A 69 -12.225 1.668 -7.627 1.00 0.00 N ATOM 1044 CA ASN A 69 -11.873 2.963 -7.071 1.00 0.00 C ATOM 1045 C ASN A 69 -12.888 3.342 -5.990 1.00 0.00 C ATOM 1046 O ASN A 69 -14.082 3.446 -6.263 1.00 0.00 O ATOM 1047 CB ASN A 69 -11.901 4.051 -8.147 1.00 0.00 C ATOM 1048 CG ASN A 69 -13.154 3.929 -9.017 1.00 0.00 C ATOM 1049 OD1 ASN A 69 -13.076 2.983 -9.948 1.00 0.00 O flip ATOM 1050 ND2 ASN A 69 -14.127 4.647 -8.853 1.00 0.00 N flip ATOM 0 H ASN A 69 -12.900 1.701 -8.391 1.00 0.00 H new ATOM 0 HA ASN A 69 -10.867 2.890 -6.658 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -11.875 5.034 -7.676 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -11.011 3.973 -8.772 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -14.121 5.355 -8.118 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -14.947 4.540 -9.451 1.00 0.00 H new ATOM 1057 N GLY A 70 -12.374 3.536 -4.784 1.00 0.00 N ATOM 1058 CA GLY A 70 -13.220 3.901 -3.660 1.00 0.00 C ATOM 1059 C GLY A 70 -13.055 2.911 -2.506 1.00 0.00 C ATOM 1060 O GLY A 70 -13.087 3.301 -1.339 1.00 0.00 O ATOM 0 H GLY A 70 -11.383 3.447 -4.561 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -12.967 4.906 -3.321 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -14.262 3.925 -3.977 1.00 0.00 H new ATOM 1064 N MET A 71 -12.881 1.649 -2.870 1.00 0.00 N ATOM 1065 CA MET A 71 -12.711 0.600 -1.880 1.00 0.00 C ATOM 1066 C MET A 71 -11.617 0.968 -0.875 1.00 0.00 C ATOM 1067 O MET A 71 -11.067 2.067 -0.925 1.00 0.00 O ATOM 1068 CB MET A 71 -12.342 -0.709 -2.580 1.00 0.00 C ATOM 1069 CG MET A 71 -10.960 -0.614 -3.228 1.00 0.00 C ATOM 1070 SD MET A 71 -9.920 -1.944 -2.648 1.00 0.00 S ATOM 1071 CE MET A 71 -10.902 -3.347 -3.151 1.00 0.00 C ATOM 0 H MET A 71 -12.854 1.329 -3.838 1.00 0.00 H new ATOM 0 HA MET A 71 -13.650 0.480 -1.340 1.00 0.00 H new ATOM 0 HB2 MET A 71 -12.354 -1.527 -1.859 1.00 0.00 H new ATOM 0 HB3 MET A 71 -13.088 -0.942 -3.339 1.00 0.00 H new ATOM 0 HG2 MET A 71 -11.054 -0.662 -4.313 1.00 0.00 H new ATOM 0 HG3 MET A 71 -10.503 0.346 -2.990 1.00 0.00 H new ATOM 0 HE1 MET A 71 -10.261 -4.223 -3.248 1.00 0.00 H new ATOM 0 HE2 MET A 71 -11.670 -3.540 -2.402 1.00 0.00 H new ATOM 0 HE3 MET A 71 -11.375 -3.135 -4.110 1.00 0.00 H new ATOM 1081 N THR A 72 -11.333 0.026 0.013 1.00 0.00 N ATOM 1082 CA THR A 72 -10.315 0.237 1.028 1.00 0.00 C ATOM 1083 C THR A 72 -9.342 -0.944 1.061 1.00 0.00 C ATOM 1084 O THR A 72 -9.760 -2.099 0.993 1.00 0.00 O ATOM 1085 CB THR A 72 -11.021 0.481 2.363 1.00 0.00 C ATOM 1086 OG1 THR A 72 -11.165 1.897 2.426 1.00 0.00 O ATOM 1087 CG2 THR A 72 -10.135 0.143 3.564 1.00 0.00 C ATOM 0 H THR A 72 -11.790 -0.885 0.050 1.00 0.00 H new ATOM 0 HA THR A 72 -9.706 1.113 0.802 1.00 0.00 H new ATOM 0 HB THR A 72 -11.933 -0.115 2.405 1.00 0.00 H new ATOM 0 HG1 THR A 72 -11.616 2.143 3.261 1.00 0.00 H new ATOM 0 HG21 THR A 72 -10.684 0.334 4.486 1.00 0.00 H new ATOM 0 HG22 THR A 72 -9.851 -0.908 3.522 1.00 0.00 H new ATOM 0 HG23 THR A 72 -9.238 0.762 3.540 1.00 0.00 H new ATOM 1095 N VAL A 73 -8.064 -0.614 1.166 1.00 0.00 N ATOM 1096 CA VAL A 73 -7.029 -1.632 1.209 1.00 0.00 C ATOM 1097 C VAL A 73 -6.487 -1.742 2.636 1.00 0.00 C ATOM 1098 O VAL A 73 -6.143 -0.735 3.252 1.00 0.00 O ATOM 1099 CB VAL A 73 -5.942 -1.318 0.179 1.00 0.00 C ATOM 1100 CG1 VAL A 73 -4.747 -2.261 0.338 1.00 0.00 C ATOM 1101 CG2 VAL A 73 -6.501 -1.378 -1.244 1.00 0.00 C ATOM 0 H VAL A 73 -7.721 0.345 1.223 1.00 0.00 H new ATOM 0 HA VAL A 73 -7.440 -2.605 0.941 1.00 0.00 H new ATOM 0 HB VAL A 73 -5.593 -0.301 0.360 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -3.989 -2.016 -0.406 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -4.325 -2.148 1.337 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -5.075 -3.291 0.197 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -5.708 -1.151 -1.956 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -6.890 -2.377 -1.440 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -7.304 -0.649 -1.350 1.00 0.00 H new ATOM 1111 N LEU A 74 -6.427 -2.975 3.119 1.00 0.00 N ATOM 1112 CA LEU A 74 -5.933 -3.229 4.461 1.00 0.00 C ATOM 1113 C LEU A 74 -4.442 -3.566 4.395 1.00 0.00 C ATOM 1114 O LEU A 74 -4.038 -4.473 3.669 1.00 0.00 O ATOM 1115 CB LEU A 74 -6.776 -4.305 5.148 1.00 0.00 C ATOM 1116 CG LEU A 74 -6.654 -4.382 6.671 1.00 0.00 C ATOM 1117 CD1 LEU A 74 -5.243 -4.802 7.087 1.00 0.00 C ATOM 1118 CD2 LEU A 74 -7.076 -3.064 7.322 1.00 0.00 C ATOM 0 H LEU A 74 -6.712 -3.808 2.605 1.00 0.00 H new ATOM 0 HA LEU A 74 -6.032 -2.336 5.079 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -7.823 -4.135 4.895 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -6.501 -5.274 4.732 1.00 0.00 H new ATOM 0 HG LEU A 74 -7.338 -5.151 7.030 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -5.183 -4.849 8.174 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -5.017 -5.783 6.668 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -4.522 -4.074 6.715 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -6.980 -3.146 8.405 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -6.437 -2.259 6.961 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -8.113 -2.847 7.065 1.00 0.00 H new ATOM 1130 N MET A 75 -3.664 -2.818 5.164 1.00 0.00 N ATOM 1131 CA MET A 75 -2.226 -3.025 5.202 1.00 0.00 C ATOM 1132 C MET A 75 -1.783 -3.538 6.573 1.00 0.00 C ATOM 1133 O MET A 75 -2.157 -2.976 7.601 1.00 0.00 O ATOM 1134 CB MET A 75 -1.512 -1.708 4.893 1.00 0.00 C ATOM 1135 CG MET A 75 -0.234 -1.953 4.087 1.00 0.00 C ATOM 1136 SD MET A 75 0.821 -0.516 4.163 1.00 0.00 S ATOM 1137 CE MET A 75 1.981 -1.048 5.411 1.00 0.00 C ATOM 0 H MET A 75 -4.003 -2.067 5.766 1.00 0.00 H new ATOM 0 HA MET A 75 -1.965 -3.773 4.454 1.00 0.00 H new ATOM 0 HB2 MET A 75 -2.179 -1.051 4.334 1.00 0.00 H new ATOM 0 HB3 MET A 75 -1.267 -1.196 5.824 1.00 0.00 H new ATOM 0 HG2 MET A 75 0.293 -2.822 4.481 1.00 0.00 H new ATOM 0 HG3 MET A 75 -0.485 -2.175 3.050 1.00 0.00 H new ATOM 0 HE1 MET A 75 1.744 -0.563 6.358 1.00 0.00 H new ATOM 0 HE2 MET A 75 1.916 -2.129 5.531 1.00 0.00 H new ATOM 0 HE3 MET A 75 2.992 -0.777 5.107 1.00 0.00 H new ATOM 1147 N MET A 76 -0.991 -4.600 6.545 1.00 0.00 N ATOM 1148 CA MET A 76 -0.492 -5.195 7.773 1.00 0.00 C ATOM 1149 C MET A 76 0.983 -5.576 7.638 1.00 0.00 C ATOM 1150 O MET A 76 1.379 -6.205 6.658 1.00 0.00 O ATOM 1151 CB MET A 76 -1.313 -6.443 8.106 1.00 0.00 C ATOM 1152 CG MET A 76 -2.649 -6.064 8.750 1.00 0.00 C ATOM 1153 SD MET A 76 -2.595 -6.392 10.504 1.00 0.00 S ATOM 1154 CE MET A 76 -2.426 -8.169 10.482 1.00 0.00 C ATOM 0 H MET A 76 -0.682 -5.064 5.691 1.00 0.00 H new ATOM 0 HA MET A 76 -0.587 -4.462 8.574 1.00 0.00 H new ATOM 0 HB2 MET A 76 -1.493 -7.018 7.197 1.00 0.00 H new ATOM 0 HB3 MET A 76 -0.748 -7.085 8.782 1.00 0.00 H new ATOM 0 HG2 MET A 76 -2.860 -5.009 8.575 1.00 0.00 H new ATOM 0 HG3 MET A 76 -3.458 -6.632 8.290 1.00 0.00 H new ATOM 0 HE1 MET A 76 -2.952 -8.595 11.337 1.00 0.00 H new ATOM 0 HE2 MET A 76 -2.853 -8.564 9.560 1.00 0.00 H new ATOM 0 HE3 MET A 76 -1.370 -8.435 10.536 1.00 0.00 H new ATOM 1164 N GLY A 77 1.758 -5.178 8.637 1.00 0.00 N ATOM 1165 CA GLY A 77 3.181 -5.470 8.642 1.00 0.00 C ATOM 1166 C GLY A 77 3.931 -4.525 9.584 1.00 0.00 C ATOM 1167 O GLY A 77 3.378 -3.522 10.033 1.00 0.00 O ATOM 0 H GLY A 77 1.427 -4.656 9.448 1.00 0.00 H new ATOM 0 HA2 GLY A 77 3.343 -6.502 8.952 1.00 0.00 H new ATOM 0 HA3 GLY A 77 3.579 -5.374 7.632 1.00 0.00 H new ATOM 1171 N SER A 78 5.179 -4.878 9.854 1.00 0.00 N ATOM 1172 CA SER A 78 6.010 -4.075 10.734 1.00 0.00 C ATOM 1173 C SER A 78 7.349 -3.773 10.058 1.00 0.00 C ATOM 1174 O SER A 78 8.001 -4.675 9.534 1.00 0.00 O ATOM 1175 CB SER A 78 6.239 -4.781 12.073 1.00 0.00 C ATOM 1176 OG SER A 78 5.051 -4.834 12.858 1.00 0.00 O ATOM 0 H SER A 78 5.635 -5.710 9.479 1.00 0.00 H new ATOM 0 HA SER A 78 5.490 -3.138 10.933 1.00 0.00 H new ATOM 0 HB2 SER A 78 6.600 -5.794 11.892 1.00 0.00 H new ATOM 0 HB3 SER A 78 7.018 -4.260 12.629 1.00 0.00 H new ATOM 0 HG SER A 78 5.238 -5.293 13.703 1.00 0.00 H new ATOM 1182 N ALA A 79 7.719 -2.501 10.092 1.00 0.00 N ATOM 1183 CA ALA A 79 8.969 -2.069 9.489 1.00 0.00 C ATOM 1184 C ALA A 79 10.052 -1.997 10.567 1.00 0.00 C ATOM 1185 O ALA A 79 10.217 -0.966 11.217 1.00 0.00 O ATOM 1186 CB ALA A 79 8.758 -0.729 8.783 1.00 0.00 C ATOM 0 H ALA A 79 7.175 -1.756 10.528 1.00 0.00 H new ATOM 0 HA ALA A 79 9.301 -2.785 8.737 1.00 0.00 H new ATOM 0 HB1 ALA A 79 9.695 -0.405 8.331 1.00 0.00 H new ATOM 0 HB2 ALA A 79 8.001 -0.842 8.007 1.00 0.00 H new ATOM 0 HB3 ALA A 79 8.428 0.016 9.507 1.00 0.00 H new