USER MOD reduce.3.24.130724 H: found=0, std=0, add=922, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 922 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 42 GLN : amide:sc= -1.18 X(o=-1.2,f=-0.8) USER MOD Set 1.2: A 44 GLN : amide:sc= 0.0223 X(o=-1.2,f=-0.8) USER MOD Single : A 9 HIS : no HD1:sc= -0.0494 X(o=-0.049,f=-0.21) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot -150:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -0.738 K(o=-0.74,f=-3.4!) USER MOD Single : A 30 ASN : amide:sc=-0.000238 K(o=-0.00024,f=-0.63) USER MOD Single : A 31 MET CE :methyl -115:sc= -5.39! (180deg=-14.7!) USER MOD Single : A 34 TYR OH : rot 30:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -3.82! C(o=-3.8!,f=-11!) USER MOD Single : A 38 THR OG1 : rot 180:sc= -1.78! USER MOD Single : A 39 CYS SG : rot -130:sc= -0.12 USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.0865 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 77:sc= 0.404 USER MOD Single : A 47 ASN : amide:sc= -0.0904 X(o=-0.09,f=0) USER MOD Single : A 52 MET CE :methyl -156:sc= -0.0359 (180deg=-0.492) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.128 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -2.17 K(o=-2.2,f=-0.26) USER MOD Single : A 61 THR OG1 : rot -1:sc= 0.573 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot -42:sc= -0.147! USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.23) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 180:sc=-0.00642 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 30:sc= 0.181 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 ASN : amide:sc= -0.196! C(o=-0.2!,f=-7.3!) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 TYR OH : rot -63:sc= 0.131 USER MOD Single : A 119 LYS NZ :NH3+ -141:sc= 0 (180deg=-0.475) USER MOD Single : A 127 SER OG : rot 180:sc=-0.00539 USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -9.634 19.264 -2.444 1.00 0.00 N ATOM 60 CA GLY A 7 -8.385 18.533 -2.307 1.00 0.00 C ATOM 61 C GLY A 7 -7.407 18.905 -3.423 1.00 0.00 C ATOM 62 O GLY A 7 -7.742 19.686 -4.313 1.00 0.00 O ATOM 0 HA2 GLY A 7 -7.936 18.751 -1.338 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -8.582 17.461 -2.333 1.00 0.00 H new ATOM 66 N PRO A 8 -6.186 18.313 -3.338 1.00 0.00 N ATOM 67 CA PRO A 8 -5.156 18.574 -4.330 1.00 0.00 C ATOM 68 C PRO A 8 -5.458 17.842 -5.639 1.00 0.00 C ATOM 69 O PRO A 8 -6.572 17.361 -5.843 1.00 0.00 O ATOM 70 CB PRO A 8 -3.860 18.119 -3.680 1.00 0.00 C ATOM 71 CG PRO A 8 -4.265 17.197 -2.542 1.00 0.00 C ATOM 72 CD PRO A 8 -5.754 17.383 -2.299 1.00 0.00 C ATOM 0 HA PRO A 8 -5.098 19.626 -4.610 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -3.225 17.598 -4.397 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -3.290 18.970 -3.309 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -4.046 16.160 -2.795 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -3.699 17.432 -1.641 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -6.288 16.435 -2.369 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -5.946 17.784 -1.304 1.00 0.00 H new ATOM 80 N HIS A 9 -4.447 17.781 -6.493 1.00 0.00 N ATOM 81 CA HIS A 9 -4.590 17.116 -7.776 1.00 0.00 C ATOM 82 C HIS A 9 -3.224 17.020 -8.460 1.00 0.00 C ATOM 83 O HIS A 9 -2.547 18.030 -8.646 1.00 0.00 O ATOM 84 CB HIS A 9 -5.637 17.821 -8.640 1.00 0.00 C ATOM 85 CG HIS A 9 -5.567 19.328 -8.582 1.00 0.00 C ATOM 86 ND1 HIS A 9 -6.437 20.091 -7.823 1.00 0.00 N ATOM 87 CD2 HIS A 9 -4.721 20.205 -9.195 1.00 0.00 C ATOM 88 CE1 HIS A 9 -6.121 21.368 -7.981 1.00 0.00 C ATOM 89 NE2 HIS A 9 -5.057 21.437 -8.832 1.00 0.00 N ATOM 0 H HIS A 9 -3.525 18.182 -6.321 1.00 0.00 H new ATOM 0 HA HIS A 9 -4.954 16.100 -7.624 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -5.514 17.501 -9.675 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -6.630 17.501 -8.323 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -3.914 19.942 -9.863 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -6.618 22.207 -7.517 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -4.596 22.294 -9.139 1.00 0.00 H new ATOM 97 N GLY A 10 -2.860 15.797 -8.815 1.00 0.00 N ATOM 98 CA GLY A 10 -1.588 15.556 -9.474 1.00 0.00 C ATOM 99 C GLY A 10 -1.246 14.065 -9.478 1.00 0.00 C ATOM 100 O GLY A 10 -2.138 13.220 -9.536 1.00 0.00 O ATOM 0 H GLY A 10 -3.424 14.962 -8.659 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -1.629 15.926 -10.498 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -0.800 16.112 -8.966 1.00 0.00 H new ATOM 104 N THR A 11 0.048 13.787 -9.416 1.00 0.00 N ATOM 105 CA THR A 11 0.519 12.413 -9.412 1.00 0.00 C ATOM 106 C THR A 11 0.890 11.980 -7.992 1.00 0.00 C ATOM 107 O THR A 11 1.319 12.801 -7.181 1.00 0.00 O ATOM 108 CB THR A 11 1.681 12.308 -10.402 1.00 0.00 C ATOM 109 OG1 THR A 11 1.073 12.520 -11.673 1.00 0.00 O ATOM 110 CG2 THR A 11 2.248 10.889 -10.491 1.00 0.00 C ATOM 0 H THR A 11 0.785 14.491 -9.368 1.00 0.00 H new ATOM 0 HA THR A 11 -0.264 11.726 -9.734 1.00 0.00 H new ATOM 0 HB THR A 11 2.473 12.997 -10.108 1.00 0.00 H new ATOM 0 HG1 THR A 11 1.756 12.471 -12.374 1.00 0.00 H new ATOM 0 HG21 THR A 11 3.070 10.870 -11.207 1.00 0.00 H new ATOM 0 HG22 THR A 11 2.613 10.581 -9.511 1.00 0.00 H new ATOM 0 HG23 THR A 11 1.466 10.204 -10.818 1.00 0.00 H new ATOM 118 N LEU A 12 0.712 10.693 -7.734 1.00 0.00 N ATOM 119 CA LEU A 12 1.022 10.142 -6.425 1.00 0.00 C ATOM 120 C LEU A 12 2.020 8.993 -6.585 1.00 0.00 C ATOM 121 O LEU A 12 2.008 8.291 -7.595 1.00 0.00 O ATOM 122 CB LEU A 12 -0.261 9.745 -5.693 1.00 0.00 C ATOM 123 CG LEU A 12 -0.075 8.987 -4.377 1.00 0.00 C ATOM 124 CD1 LEU A 12 -0.172 9.936 -3.180 1.00 0.00 C ATOM 125 CD2 LEU A 12 -1.063 7.825 -4.269 1.00 0.00 C ATOM 0 H LEU A 12 0.357 10.015 -8.409 1.00 0.00 H new ATOM 0 HA LEU A 12 1.499 10.895 -5.797 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.835 10.649 -5.490 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.862 9.129 -6.362 1.00 0.00 H new ATOM 0 HG LEU A 12 0.927 8.558 -4.368 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.036 9.372 -2.257 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.603 10.699 -3.257 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.152 10.414 -3.173 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.909 7.303 -3.324 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.082 8.209 -4.310 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.903 7.133 -5.096 1.00 0.00 H new ATOM 137 N GLU A 13 2.861 8.837 -5.572 1.00 0.00 N ATOM 138 CA GLU A 13 3.863 7.786 -5.587 1.00 0.00 C ATOM 139 C GLU A 13 3.591 6.777 -4.470 1.00 0.00 C ATOM 140 O GLU A 13 3.085 7.141 -3.410 1.00 0.00 O ATOM 141 CB GLU A 13 5.272 8.370 -5.468 1.00 0.00 C ATOM 142 CG GLU A 13 6.243 7.659 -6.413 1.00 0.00 C ATOM 143 CD GLU A 13 7.632 7.536 -5.783 1.00 0.00 C ATOM 144 OE1 GLU A 13 7.682 7.420 -4.540 1.00 0.00 O ATOM 145 OE2 GLU A 13 8.611 7.562 -6.559 1.00 0.00 O ATOM 0 H GLU A 13 2.868 9.421 -4.736 1.00 0.00 H new ATOM 0 HA GLU A 13 3.801 7.265 -6.543 1.00 0.00 H new ATOM 0 HB2 GLU A 13 5.249 9.435 -5.699 1.00 0.00 H new ATOM 0 HB3 GLU A 13 5.623 8.274 -4.441 1.00 0.00 H new ATOM 0 HG2 GLU A 13 5.860 6.667 -6.654 1.00 0.00 H new ATOM 0 HG3 GLU A 13 6.313 8.211 -7.351 1.00 0.00 H new ATOM 152 N VAL A 14 3.939 5.528 -4.745 1.00 0.00 N ATOM 153 CA VAL A 14 3.739 4.464 -3.776 1.00 0.00 C ATOM 154 C VAL A 14 4.923 3.497 -3.835 1.00 0.00 C ATOM 155 O VAL A 14 4.987 2.642 -4.716 1.00 0.00 O ATOM 156 CB VAL A 14 2.394 3.778 -4.023 1.00 0.00 C ATOM 157 CG1 VAL A 14 2.125 2.704 -2.968 1.00 0.00 C ATOM 158 CG2 VAL A 14 1.257 4.801 -4.067 1.00 0.00 C ATOM 0 H VAL A 14 4.358 5.229 -5.626 1.00 0.00 H new ATOM 0 HA VAL A 14 3.701 4.870 -2.765 1.00 0.00 H new ATOM 0 HB VAL A 14 2.441 3.288 -4.995 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.163 2.232 -3.167 1.00 0.00 H new ATOM 0 HG12 VAL A 14 2.913 1.952 -3.005 1.00 0.00 H new ATOM 0 HG13 VAL A 14 2.107 3.162 -1.979 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.312 4.287 -4.244 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.209 5.333 -3.117 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.439 5.513 -4.872 1.00 0.00 H new ATOM 168 N VAL A 15 5.831 3.666 -2.885 1.00 0.00 N ATOM 169 CA VAL A 15 7.010 2.819 -2.818 1.00 0.00 C ATOM 170 C VAL A 15 6.745 1.660 -1.855 1.00 0.00 C ATOM 171 O VAL A 15 6.734 1.848 -0.639 1.00 0.00 O ATOM 172 CB VAL A 15 8.232 3.652 -2.428 1.00 0.00 C ATOM 173 CG1 VAL A 15 9.509 2.811 -2.480 1.00 0.00 C ATOM 174 CG2 VAL A 15 8.356 4.892 -3.315 1.00 0.00 C ATOM 0 H VAL A 15 5.774 4.377 -2.156 1.00 0.00 H new ATOM 0 HA VAL A 15 7.226 2.388 -3.795 1.00 0.00 H new ATOM 0 HB VAL A 15 8.094 3.988 -1.400 1.00 0.00 H new ATOM 0 HG11 VAL A 15 10.362 3.428 -2.198 1.00 0.00 H new ATOM 0 HG12 VAL A 15 9.422 1.974 -1.787 1.00 0.00 H new ATOM 0 HG13 VAL A 15 9.654 2.431 -3.491 1.00 0.00 H new ATOM 0 HG21 VAL A 15 9.233 5.467 -3.017 1.00 0.00 H new ATOM 0 HG22 VAL A 15 8.460 4.586 -4.356 1.00 0.00 H new ATOM 0 HG23 VAL A 15 7.464 5.508 -3.205 1.00 0.00 H new ATOM 184 N LEU A 16 6.538 0.486 -2.434 1.00 0.00 N ATOM 185 CA LEU A 16 6.274 -0.703 -1.643 1.00 0.00 C ATOM 186 C LEU A 16 7.601 -1.323 -1.203 1.00 0.00 C ATOM 187 O LEU A 16 8.173 -2.146 -1.916 1.00 0.00 O ATOM 188 CB LEU A 16 5.369 -1.668 -2.412 1.00 0.00 C ATOM 189 CG LEU A 16 5.071 -3.001 -1.722 1.00 0.00 C ATOM 190 CD1 LEU A 16 4.069 -2.815 -0.580 1.00 0.00 C ATOM 191 CD2 LEU A 16 4.599 -4.048 -2.733 1.00 0.00 C ATOM 0 H LEU A 16 6.548 0.333 -3.442 1.00 0.00 H new ATOM 0 HA LEU A 16 5.727 -0.444 -0.736 1.00 0.00 H new ATOM 0 HB2 LEU A 16 4.423 -1.166 -2.613 1.00 0.00 H new ATOM 0 HB3 LEU A 16 5.830 -1.876 -3.377 1.00 0.00 H new ATOM 0 HG LEU A 16 5.996 -3.372 -1.282 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.874 -3.777 -0.106 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.481 -2.125 0.156 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.137 -2.410 -0.976 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.394 -4.986 -2.217 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.691 -3.697 -3.223 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.376 -4.208 -3.481 1.00 0.00 H new ATOM 203 N VAL A 17 8.054 -0.904 -0.031 1.00 0.00 N ATOM 204 CA VAL A 17 9.304 -1.407 0.513 1.00 0.00 C ATOM 205 C VAL A 17 9.139 -2.885 0.874 1.00 0.00 C ATOM 206 O VAL A 17 9.435 -3.762 0.064 1.00 0.00 O ATOM 207 CB VAL A 17 9.743 -0.547 1.700 1.00 0.00 C ATOM 208 CG1 VAL A 17 10.927 -1.184 2.430 1.00 0.00 C ATOM 209 CG2 VAL A 17 10.077 0.877 1.251 1.00 0.00 C ATOM 0 H VAL A 17 7.577 -0.221 0.558 1.00 0.00 H new ATOM 0 HA VAL A 17 10.098 -1.340 -0.230 1.00 0.00 H new ATOM 0 HB VAL A 17 8.909 -0.491 2.400 1.00 0.00 H new ATOM 0 HG11 VAL A 17 11.219 -0.553 3.269 1.00 0.00 H new ATOM 0 HG12 VAL A 17 10.640 -2.169 2.799 1.00 0.00 H new ATOM 0 HG13 VAL A 17 11.767 -1.285 1.742 1.00 0.00 H new ATOM 0 HG21 VAL A 17 10.386 1.467 2.114 1.00 0.00 H new ATOM 0 HG22 VAL A 17 10.887 0.848 0.522 1.00 0.00 H new ATOM 0 HG23 VAL A 17 9.196 1.331 0.797 1.00 0.00 H new ATOM 219 N SER A 18 8.668 -3.115 2.090 1.00 0.00 N ATOM 220 CA SER A 18 8.460 -4.471 2.568 1.00 0.00 C ATOM 221 C SER A 18 7.370 -4.487 3.642 1.00 0.00 C ATOM 222 O SER A 18 6.741 -3.464 3.908 1.00 0.00 O ATOM 223 CB SER A 18 9.757 -5.065 3.120 1.00 0.00 C ATOM 224 OG SER A 18 10.056 -4.576 4.425 1.00 0.00 O ATOM 0 H SER A 18 8.424 -2.385 2.759 1.00 0.00 H new ATOM 0 HA SER A 18 8.140 -5.085 1.726 1.00 0.00 H new ATOM 0 HB2 SER A 18 9.674 -6.151 3.150 1.00 0.00 H new ATOM 0 HB3 SER A 18 10.580 -4.827 2.446 1.00 0.00 H new ATOM 0 HG SER A 18 11.027 -4.562 4.555 1.00 0.00 H new ATOM 230 N ALA A 19 7.181 -5.658 4.232 1.00 0.00 N ATOM 231 CA ALA A 19 6.179 -5.820 5.271 1.00 0.00 C ATOM 232 C ALA A 19 6.661 -6.863 6.281 1.00 0.00 C ATOM 233 O ALA A 19 6.974 -7.993 5.910 1.00 0.00 O ATOM 234 CB ALA A 19 4.840 -6.200 4.634 1.00 0.00 C ATOM 0 H ALA A 19 7.705 -6.504 4.010 1.00 0.00 H new ATOM 0 HA ALA A 19 6.030 -4.884 5.810 1.00 0.00 H new ATOM 0 HB1 ALA A 19 4.088 -6.322 5.413 1.00 0.00 H new ATOM 0 HB2 ALA A 19 4.527 -5.413 3.948 1.00 0.00 H new ATOM 0 HB3 ALA A 19 4.950 -7.136 4.087 1.00 0.00 H new ATOM 240 N LYS A 20 6.706 -6.447 7.538 1.00 0.00 N ATOM 241 CA LYS A 20 7.145 -7.331 8.604 1.00 0.00 C ATOM 242 C LYS A 20 5.946 -7.703 9.478 1.00 0.00 C ATOM 243 O LYS A 20 4.995 -6.931 9.596 1.00 0.00 O ATOM 244 CB LYS A 20 8.301 -6.699 9.382 1.00 0.00 C ATOM 245 CG LYS A 20 9.536 -6.537 8.494 1.00 0.00 C ATOM 246 CD LYS A 20 10.019 -5.085 8.486 1.00 0.00 C ATOM 247 CE LYS A 20 11.383 -4.965 7.803 1.00 0.00 C ATOM 248 NZ LYS A 20 12.145 -3.827 8.365 1.00 0.00 N ATOM 0 H LYS A 20 6.445 -5.509 7.842 1.00 0.00 H new ATOM 0 HA LYS A 20 7.539 -8.260 8.191 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.996 -5.726 9.767 1.00 0.00 H new ATOM 0 HB3 LYS A 20 8.547 -7.320 10.243 1.00 0.00 H new ATOM 0 HG2 LYS A 20 10.334 -7.187 8.852 1.00 0.00 H new ATOM 0 HG3 LYS A 20 9.301 -6.851 7.477 1.00 0.00 H new ATOM 0 HD2 LYS A 20 9.292 -4.459 7.968 1.00 0.00 H new ATOM 0 HD3 LYS A 20 10.087 -4.715 9.509 1.00 0.00 H new ATOM 0 HE2 LYS A 20 11.946 -5.889 7.937 1.00 0.00 H new ATOM 0 HE3 LYS A 20 11.248 -4.826 6.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 13.068 -3.759 7.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 11.614 -2.946 8.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 12.289 -3.975 9.384 1.00 0.00 H new ATOM 262 N GLY A 21 6.029 -8.885 10.070 1.00 0.00 N ATOM 263 CA GLY A 21 4.963 -9.369 10.930 1.00 0.00 C ATOM 264 C GLY A 21 5.381 -9.323 12.401 1.00 0.00 C ATOM 265 O GLY A 21 6.501 -8.925 12.719 1.00 0.00 O ATOM 0 H GLY A 21 6.819 -9.522 9.971 1.00 0.00 H new ATOM 0 HA2 GLY A 21 4.069 -8.763 10.783 1.00 0.00 H new ATOM 0 HA3 GLY A 21 4.704 -10.391 10.654 1.00 0.00 H new ATOM 269 N LEU A 22 4.460 -9.736 13.258 1.00 0.00 N ATOM 270 CA LEU A 22 4.719 -9.748 14.688 1.00 0.00 C ATOM 271 C LEU A 22 5.734 -10.846 15.009 1.00 0.00 C ATOM 272 O LEU A 22 6.344 -11.417 14.106 1.00 0.00 O ATOM 273 CB LEU A 22 3.410 -9.873 15.469 1.00 0.00 C ATOM 274 CG LEU A 22 2.452 -8.684 15.368 1.00 0.00 C ATOM 275 CD1 LEU A 22 3.173 -7.371 15.677 1.00 0.00 C ATOM 276 CD2 LEU A 22 1.762 -8.651 14.002 1.00 0.00 C ATOM 0 H LEU A 22 3.533 -10.065 12.990 1.00 0.00 H new ATOM 0 HA LEU A 22 5.161 -8.803 15.003 1.00 0.00 H new ATOM 0 HB2 LEU A 22 2.888 -10.765 15.124 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.651 -10.032 16.520 1.00 0.00 H new ATOM 0 HG LEU A 22 1.673 -8.808 16.120 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.469 -6.542 15.598 1.00 0.00 H new ATOM 0 HD12 LEU A 22 3.578 -7.408 16.688 1.00 0.00 H new ATOM 0 HD13 LEU A 22 3.986 -7.226 14.965 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.087 -7.797 13.956 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.513 -8.562 13.217 1.00 0.00 H new ATOM 0 HD23 LEU A 22 1.194 -9.570 13.859 1.00 0.00 H new ATOM 288 N GLU A 23 5.884 -11.111 16.299 1.00 0.00 N ATOM 289 CA GLU A 23 6.814 -12.131 16.751 1.00 0.00 C ATOM 290 C GLU A 23 6.162 -13.513 16.679 1.00 0.00 C ATOM 291 O GLU A 23 6.808 -14.489 16.301 1.00 0.00 O ATOM 292 CB GLU A 23 7.311 -11.832 18.166 1.00 0.00 C ATOM 293 CG GLU A 23 6.185 -11.268 19.035 1.00 0.00 C ATOM 294 CD GLU A 23 6.387 -11.643 20.505 1.00 0.00 C ATOM 295 OE1 GLU A 23 7.565 -11.716 20.916 1.00 0.00 O ATOM 296 OE2 GLU A 23 5.358 -11.849 21.184 1.00 0.00 O ATOM 0 H GLU A 23 5.376 -10.636 17.046 1.00 0.00 H new ATOM 0 HA GLU A 23 7.680 -12.124 16.089 1.00 0.00 H new ATOM 0 HB2 GLU A 23 7.702 -12.743 18.618 1.00 0.00 H new ATOM 0 HB3 GLU A 23 8.134 -11.119 18.123 1.00 0.00 H new ATOM 0 HG2 GLU A 23 6.151 -10.183 18.934 1.00 0.00 H new ATOM 0 HG3 GLU A 23 5.226 -11.651 18.687 1.00 0.00 H new ATOM 303 N ASP A 24 4.890 -13.552 17.048 1.00 0.00 N ATOM 304 CA ASP A 24 4.144 -14.799 17.031 1.00 0.00 C ATOM 305 C ASP A 24 2.982 -14.678 16.043 1.00 0.00 C ATOM 306 O ASP A 24 1.819 -14.786 16.431 1.00 0.00 O ATOM 307 CB ASP A 24 3.561 -15.111 18.411 1.00 0.00 C ATOM 308 CG ASP A 24 2.984 -16.520 18.565 1.00 0.00 C ATOM 309 OD1 ASP A 24 2.792 -17.172 17.516 1.00 0.00 O ATOM 310 OD2 ASP A 24 2.747 -16.912 19.728 1.00 0.00 O ATOM 0 H ASP A 24 4.357 -12.740 17.360 1.00 0.00 H new ATOM 0 HA ASP A 24 4.827 -15.597 16.740 1.00 0.00 H new ATOM 0 HB2 ASP A 24 4.341 -14.970 19.159 1.00 0.00 H new ATOM 0 HB3 ASP A 24 2.776 -14.387 18.629 1.00 0.00 H new ATOM 315 N ALA A 25 3.336 -14.455 14.786 1.00 0.00 N ATOM 316 CA ALA A 25 2.336 -14.319 13.740 1.00 0.00 C ATOM 317 C ALA A 25 2.836 -15.010 12.470 1.00 0.00 C ATOM 318 O ALA A 25 3.888 -14.656 11.940 1.00 0.00 O ATOM 319 CB ALA A 25 2.031 -12.836 13.516 1.00 0.00 C ATOM 0 H ALA A 25 4.301 -14.365 14.468 1.00 0.00 H new ATOM 0 HA ALA A 25 1.404 -14.803 14.033 1.00 0.00 H new ATOM 0 HB1 ALA A 25 1.281 -12.733 12.732 1.00 0.00 H new ATOM 0 HB2 ALA A 25 1.652 -12.399 14.440 1.00 0.00 H new ATOM 0 HB3 ALA A 25 2.942 -12.318 13.217 1.00 0.00 H new ATOM 325 N ASP A 26 2.059 -15.983 12.019 1.00 0.00 N ATOM 326 CA ASP A 26 2.409 -16.726 10.821 1.00 0.00 C ATOM 327 C ASP A 26 1.958 -15.941 9.588 1.00 0.00 C ATOM 328 O ASP A 26 1.268 -16.479 8.723 1.00 0.00 O ATOM 329 CB ASP A 26 1.714 -18.089 10.795 1.00 0.00 C ATOM 330 CG ASP A 26 2.322 -19.143 11.722 1.00 0.00 C ATOM 331 OD1 ASP A 26 2.967 -18.727 12.708 1.00 0.00 O ATOM 332 OD2 ASP A 26 2.128 -20.341 11.422 1.00 0.00 O ATOM 0 H ASP A 26 1.188 -16.274 12.462 1.00 0.00 H new ATOM 0 HA ASP A 26 3.489 -16.872 10.819 1.00 0.00 H new ATOM 0 HB2 ASP A 26 0.667 -17.951 11.064 1.00 0.00 H new ATOM 0 HB3 ASP A 26 1.733 -18.470 9.774 1.00 0.00 H new ATOM 337 N PHE A 27 2.365 -14.681 9.546 1.00 0.00 N ATOM 338 CA PHE A 27 2.011 -13.817 8.433 1.00 0.00 C ATOM 339 C PHE A 27 3.135 -13.768 7.397 1.00 0.00 C ATOM 340 O PHE A 27 4.259 -13.379 7.713 1.00 0.00 O ATOM 341 CB PHE A 27 1.800 -12.414 9.006 1.00 0.00 C ATOM 342 CG PHE A 27 1.447 -11.359 7.956 1.00 0.00 C ATOM 343 CD1 PHE A 27 0.559 -11.653 6.969 1.00 0.00 C ATOM 344 CD2 PHE A 27 2.022 -10.127 8.009 1.00 0.00 C ATOM 345 CE1 PHE A 27 0.232 -10.674 5.994 1.00 0.00 C ATOM 346 CE2 PHE A 27 1.695 -9.148 7.034 1.00 0.00 C ATOM 347 CZ PHE A 27 0.806 -9.442 6.047 1.00 0.00 C ATOM 0 H PHE A 27 2.937 -14.238 10.265 1.00 0.00 H new ATOM 0 HA PHE A 27 1.115 -14.194 7.940 1.00 0.00 H new ATOM 0 HB2 PHE A 27 1.004 -12.452 9.749 1.00 0.00 H new ATOM 0 HB3 PHE A 27 2.707 -12.105 9.526 1.00 0.00 H new ATOM 0 HD1 PHE A 27 0.103 -12.631 6.927 1.00 0.00 H new ATOM 0 HD2 PHE A 27 2.727 -9.894 8.793 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -0.473 -10.908 5.210 1.00 0.00 H new ATOM 0 HE2 PHE A 27 2.152 -8.170 7.076 1.00 0.00 H new ATOM 0 HZ PHE A 27 0.556 -8.697 5.306 1.00 0.00 H new ATOM 357 N LEU A 28 2.794 -14.169 6.181 1.00 0.00 N ATOM 358 CA LEU A 28 3.761 -14.176 5.097 1.00 0.00 C ATOM 359 C LEU A 28 4.881 -15.165 5.424 1.00 0.00 C ATOM 360 O LEU A 28 6.056 -14.799 5.431 1.00 0.00 O ATOM 361 CB LEU A 28 4.257 -12.757 4.812 1.00 0.00 C ATOM 362 CG LEU A 28 3.210 -11.647 4.914 1.00 0.00 C ATOM 363 CD1 LEU A 28 3.875 -10.279 5.080 1.00 0.00 C ATOM 364 CD2 LEU A 28 2.257 -11.680 3.717 1.00 0.00 C ATOM 0 H LEU A 28 1.861 -14.491 5.923 1.00 0.00 H new ATOM 0 HA LEU A 28 3.294 -14.517 4.173 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.067 -12.530 5.506 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.682 -12.737 3.809 1.00 0.00 H new ATOM 0 HG LEU A 28 2.611 -11.824 5.807 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.108 -9.508 5.150 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.478 -10.275 5.988 1.00 0.00 H new ATOM 0 HD13 LEU A 28 4.514 -10.078 4.220 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.523 -10.880 3.814 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.824 -11.542 2.796 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.745 -12.642 3.686 1.00 0.00 H new ATOM 376 N ASN A 29 4.479 -16.399 5.689 1.00 0.00 N ATOM 377 CA ASN A 29 5.434 -17.444 6.016 1.00 0.00 C ATOM 378 C ASN A 29 5.193 -18.652 5.109 1.00 0.00 C ATOM 379 O ASN A 29 4.083 -19.180 5.054 1.00 0.00 O ATOM 380 CB ASN A 29 5.273 -17.902 7.467 1.00 0.00 C ATOM 381 CG ASN A 29 6.290 -18.991 7.814 1.00 0.00 C ATOM 382 OD1 ASN A 29 6.271 -20.088 7.280 1.00 0.00 O ATOM 383 ND2 ASN A 29 7.177 -18.629 8.737 1.00 0.00 N ATOM 0 H ASN A 29 3.504 -16.699 5.684 1.00 0.00 H new ATOM 0 HA ASN A 29 6.437 -17.041 5.874 1.00 0.00 H new ATOM 0 HB2 ASN A 29 5.402 -17.052 8.137 1.00 0.00 H new ATOM 0 HB3 ASN A 29 4.263 -18.280 7.623 1.00 0.00 H new ATOM 0 HD21 ASN A 29 7.897 -19.286 9.038 1.00 0.00 H new ATOM 0 HD22 ASN A 29 7.137 -17.695 9.144 1.00 0.00 H new ATOM 390 N ASN A 30 6.251 -19.056 4.421 1.00 0.00 N ATOM 391 CA ASN A 30 6.168 -20.192 3.519 1.00 0.00 C ATOM 392 C ASN A 30 5.055 -19.948 2.499 1.00 0.00 C ATOM 393 O ASN A 30 4.113 -20.733 2.402 1.00 0.00 O ATOM 394 CB ASN A 30 5.838 -21.477 4.281 1.00 0.00 C ATOM 395 CG ASN A 30 6.345 -22.708 3.527 1.00 0.00 C ATOM 396 OD1 ASN A 30 6.124 -22.874 2.339 1.00 0.00 O ATOM 397 ND2 ASN A 30 7.036 -23.558 4.281 1.00 0.00 N ATOM 0 H ASN A 30 7.170 -18.617 4.470 1.00 0.00 H new ATOM 0 HA ASN A 30 7.134 -20.303 3.026 1.00 0.00 H new ATOM 0 HB2 ASN A 30 6.290 -21.442 5.272 1.00 0.00 H new ATOM 0 HB3 ASN A 30 4.760 -21.552 4.424 1.00 0.00 H new ATOM 0 HD21 ASN A 30 7.418 -24.410 3.870 1.00 0.00 H new ATOM 0 HD22 ASN A 30 7.184 -23.358 5.270 1.00 0.00 H new ATOM 404 N MET A 31 5.199 -18.855 1.763 1.00 0.00 N ATOM 405 CA MET A 31 4.218 -18.498 0.753 1.00 0.00 C ATOM 406 C MET A 31 4.763 -17.419 -0.184 1.00 0.00 C ATOM 407 O MET A 31 5.916 -17.009 -0.060 1.00 0.00 O ATOM 408 CB MET A 31 2.947 -17.987 1.435 1.00 0.00 C ATOM 409 CG MET A 31 3.286 -17.125 2.653 1.00 0.00 C ATOM 410 SD MET A 31 1.786 -16.597 3.464 1.00 0.00 S ATOM 411 CE MET A 31 1.157 -15.459 2.241 1.00 0.00 C ATOM 0 H MET A 31 5.981 -18.205 1.847 1.00 0.00 H new ATOM 0 HA MET A 31 3.993 -19.386 0.162 1.00 0.00 H new ATOM 0 HB2 MET A 31 2.358 -17.405 0.726 1.00 0.00 H new ATOM 0 HB3 MET A 31 2.331 -18.832 1.743 1.00 0.00 H new ATOM 0 HG2 MET A 31 3.905 -17.691 3.349 1.00 0.00 H new ATOM 0 HG3 MET A 31 3.867 -16.256 2.344 1.00 0.00 H new ATOM 0 HE1 MET A 31 1.151 -14.450 2.652 1.00 0.00 H new ATOM 0 HE2 MET A 31 1.794 -15.487 1.357 1.00 0.00 H new ATOM 0 HE3 MET A 31 0.142 -15.745 1.966 1.00 0.00 H new ATOM 421 N ASP A 32 3.908 -16.989 -1.101 1.00 0.00 N ATOM 422 CA ASP A 32 4.290 -15.965 -2.059 1.00 0.00 C ATOM 423 C ASP A 32 3.216 -14.877 -2.091 1.00 0.00 C ATOM 424 O ASP A 32 2.513 -14.722 -3.088 1.00 0.00 O ATOM 425 CB ASP A 32 4.414 -16.549 -3.468 1.00 0.00 C ATOM 426 CG ASP A 32 5.799 -17.094 -3.822 1.00 0.00 C ATOM 427 OD1 ASP A 32 6.465 -17.598 -2.892 1.00 0.00 O ATOM 428 OD2 ASP A 32 6.159 -16.996 -5.015 1.00 0.00 O ATOM 0 H ASP A 32 2.952 -17.331 -1.201 1.00 0.00 H new ATOM 0 HA ASP A 32 5.253 -15.557 -1.751 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.685 -17.352 -3.578 1.00 0.00 H new ATOM 0 HB3 ASP A 32 4.149 -15.777 -4.190 1.00 0.00 H new ATOM 433 N PRO A 33 3.120 -14.131 -0.957 1.00 0.00 N ATOM 434 CA PRO A 33 2.143 -13.061 -0.846 1.00 0.00 C ATOM 435 C PRO A 33 2.576 -11.837 -1.657 1.00 0.00 C ATOM 436 O PRO A 33 3.769 -11.593 -1.831 1.00 0.00 O ATOM 437 CB PRO A 33 2.036 -12.779 0.643 1.00 0.00 C ATOM 438 CG PRO A 33 3.287 -13.372 1.271 1.00 0.00 C ATOM 439 CD PRO A 33 3.936 -14.285 0.243 1.00 0.00 C ATOM 0 HA PRO A 33 1.171 -13.334 -1.257 1.00 0.00 H new ATOM 0 HB2 PRO A 33 1.973 -11.708 0.834 1.00 0.00 H new ATOM 0 HB3 PRO A 33 1.137 -13.231 1.062 1.00 0.00 H new ATOM 0 HG2 PRO A 33 3.976 -12.582 1.569 1.00 0.00 H new ATOM 0 HG3 PRO A 33 3.034 -13.931 2.172 1.00 0.00 H new ATOM 0 HD2 PRO A 33 4.971 -13.999 0.057 1.00 0.00 H new ATOM 0 HD3 PRO A 33 3.947 -15.320 0.584 1.00 0.00 H new ATOM 447 N TYR A 34 1.582 -11.100 -2.130 1.00 0.00 N ATOM 448 CA TYR A 34 1.845 -9.907 -2.918 1.00 0.00 C ATOM 449 C TYR A 34 0.951 -8.748 -2.473 1.00 0.00 C ATOM 450 O TYR A 34 -0.161 -8.966 -1.993 1.00 0.00 O ATOM 451 CB TYR A 34 1.503 -10.273 -4.364 1.00 0.00 C ATOM 452 CG TYR A 34 0.045 -10.684 -4.574 1.00 0.00 C ATOM 453 CD1 TYR A 34 -0.350 -11.982 -4.323 1.00 0.00 C ATOM 454 CD2 TYR A 34 -0.877 -9.756 -5.014 1.00 0.00 C ATOM 455 CE1 TYR A 34 -1.723 -12.369 -4.521 1.00 0.00 C ATOM 456 CE2 TYR A 34 -2.250 -10.142 -5.212 1.00 0.00 C ATOM 457 CZ TYR A 34 -2.605 -11.430 -4.955 1.00 0.00 C ATOM 458 OH TYR A 34 -3.902 -11.795 -5.142 1.00 0.00 O ATOM 0 H TYR A 34 0.594 -11.305 -1.983 1.00 0.00 H new ATOM 0 HA TYR A 34 2.881 -9.590 -2.801 1.00 0.00 H new ATOM 0 HB2 TYR A 34 1.725 -9.421 -5.006 1.00 0.00 H new ATOM 0 HB3 TYR A 34 2.150 -11.090 -4.684 1.00 0.00 H new ATOM 0 HD1 TYR A 34 0.371 -12.708 -3.978 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -0.568 -8.740 -5.210 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -2.045 -13.382 -4.329 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -2.981 -9.426 -5.557 1.00 0.00 H new ATOM 0 HH TYR A 34 -4.132 -12.516 -4.519 1.00 0.00 H new ATOM 468 N VAL A 35 1.470 -7.542 -2.649 1.00 0.00 N ATOM 469 CA VAL A 35 0.732 -6.348 -2.271 1.00 0.00 C ATOM 470 C VAL A 35 -0.051 -5.834 -3.481 1.00 0.00 C ATOM 471 O VAL A 35 0.386 -5.988 -4.620 1.00 0.00 O ATOM 472 CB VAL A 35 1.688 -5.304 -1.691 1.00 0.00 C ATOM 473 CG1 VAL A 35 0.943 -4.016 -1.336 1.00 0.00 C ATOM 474 CG2 VAL A 35 2.434 -5.859 -0.476 1.00 0.00 C ATOM 0 H VAL A 35 2.392 -7.366 -3.048 1.00 0.00 H new ATOM 0 HA VAL A 35 0.009 -6.577 -1.489 1.00 0.00 H new ATOM 0 HB VAL A 35 2.426 -5.064 -2.456 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.646 -3.291 -0.926 1.00 0.00 H new ATOM 0 HG12 VAL A 35 0.479 -3.605 -2.233 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.173 -4.233 -0.596 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.107 -5.097 -0.083 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.716 -6.141 0.294 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.011 -6.735 -0.772 1.00 0.00 H new ATOM 484 N GLN A 36 -1.197 -5.234 -3.192 1.00 0.00 N ATOM 485 CA GLN A 36 -2.046 -4.696 -4.242 1.00 0.00 C ATOM 486 C GLN A 36 -2.542 -3.300 -3.861 1.00 0.00 C ATOM 487 O GLN A 36 -3.372 -3.156 -2.964 1.00 0.00 O ATOM 488 CB GLN A 36 -3.219 -5.635 -4.533 1.00 0.00 C ATOM 489 CG GLN A 36 -4.261 -4.951 -5.419 1.00 0.00 C ATOM 490 CD GLN A 36 -5.475 -5.856 -5.637 1.00 0.00 C ATOM 491 OE1 GLN A 36 -5.750 -6.764 -4.869 1.00 0.00 O ATOM 492 NE2 GLN A 36 -6.183 -5.560 -6.723 1.00 0.00 N ATOM 0 H GLN A 36 -1.557 -5.109 -2.246 1.00 0.00 H new ATOM 0 HA GLN A 36 -1.455 -4.613 -5.154 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -2.854 -6.537 -5.024 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -3.681 -5.947 -3.596 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -4.578 -4.016 -4.958 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -3.815 -4.697 -6.381 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -5.897 -4.786 -7.323 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -7.012 -6.107 -6.956 1.00 0.00 H new ATOM 501 N LEU A 37 -2.012 -2.307 -4.560 1.00 0.00 N ATOM 502 CA LEU A 37 -2.391 -0.928 -4.306 1.00 0.00 C ATOM 503 C LEU A 37 -3.724 -0.634 -4.998 1.00 0.00 C ATOM 504 O LEU A 37 -4.169 -1.403 -5.848 1.00 0.00 O ATOM 505 CB LEU A 37 -1.263 0.021 -4.716 1.00 0.00 C ATOM 506 CG LEU A 37 0.029 -0.083 -3.903 1.00 0.00 C ATOM 507 CD1 LEU A 37 -0.196 -0.874 -2.614 1.00 0.00 C ATOM 508 CD2 LEU A 37 1.161 -0.672 -4.747 1.00 0.00 C ATOM 0 H LEU A 37 -1.323 -2.430 -5.302 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.543 -0.765 -3.239 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -1.025 -0.161 -5.764 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.632 1.044 -4.645 1.00 0.00 H new ATOM 0 HG LEU A 37 0.332 0.923 -3.614 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.738 -0.933 -2.055 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.951 -0.374 -2.007 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.536 -1.880 -2.859 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.068 -0.735 -4.146 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.881 -1.669 -5.087 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.342 -0.032 -5.611 1.00 0.00 H new ATOM 520 N THR A 38 -4.323 0.481 -4.607 1.00 0.00 N ATOM 521 CA THR A 38 -5.596 0.886 -5.179 1.00 0.00 C ATOM 522 C THR A 38 -5.780 2.400 -5.054 1.00 0.00 C ATOM 523 O THR A 38 -5.787 2.939 -3.948 1.00 0.00 O ATOM 524 CB THR A 38 -6.701 0.081 -4.492 1.00 0.00 C ATOM 525 OG1 THR A 38 -6.101 -1.186 -4.240 1.00 0.00 O ATOM 526 CG2 THR A 38 -7.865 -0.237 -5.432 1.00 0.00 C ATOM 0 H THR A 38 -3.951 1.116 -3.901 1.00 0.00 H new ATOM 0 HA THR A 38 -5.635 0.673 -6.247 1.00 0.00 H new ATOM 0 HB THR A 38 -7.073 0.636 -3.631 1.00 0.00 H new ATOM 0 HG1 THR A 38 -6.748 -1.772 -3.794 1.00 0.00 H new ATOM 0 HG21 THR A 38 -8.621 -0.809 -4.894 1.00 0.00 H new ATOM 0 HG22 THR A 38 -8.304 0.692 -5.795 1.00 0.00 H new ATOM 0 HG23 THR A 38 -7.501 -0.821 -6.277 1.00 0.00 H new ATOM 534 N CYS A 39 -5.924 3.044 -6.203 1.00 0.00 N ATOM 535 CA CYS A 39 -6.107 4.485 -6.236 1.00 0.00 C ATOM 536 C CYS A 39 -7.104 4.817 -7.347 1.00 0.00 C ATOM 537 O CYS A 39 -6.735 4.884 -8.518 1.00 0.00 O ATOM 538 CB CYS A 39 -4.778 5.220 -6.423 1.00 0.00 C ATOM 539 SG CYS A 39 -4.290 6.041 -4.862 1.00 0.00 S ATOM 0 H CYS A 39 -5.918 2.594 -7.118 1.00 0.00 H new ATOM 0 HA CYS A 39 -6.504 4.826 -5.280 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -4.004 4.516 -6.731 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -4.871 5.959 -7.218 1.00 0.00 H new ATOM 0 HG CYS A 39 -3.985 7.282 -5.101 1.00 0.00 H new ATOM 545 N ARG A 40 -8.350 5.017 -6.940 1.00 0.00 N ATOM 546 CA ARG A 40 -9.403 5.341 -7.886 1.00 0.00 C ATOM 547 C ARG A 40 -9.572 4.208 -8.901 1.00 0.00 C ATOM 548 O ARG A 40 -8.951 4.225 -9.963 1.00 0.00 O ATOM 549 CB ARG A 40 -9.095 6.642 -8.630 1.00 0.00 C ATOM 550 CG ARG A 40 -10.059 7.754 -8.213 1.00 0.00 C ATOM 551 CD ARG A 40 -9.327 9.090 -8.071 1.00 0.00 C ATOM 552 NE ARG A 40 -9.857 10.064 -9.051 1.00 0.00 N ATOM 553 CZ ARG A 40 -9.544 10.064 -10.354 1.00 0.00 C ATOM 554 NH1 ARG A 40 -8.703 9.143 -10.842 1.00 0.00 N ATOM 555 NH2 ARG A 40 -10.073 10.987 -11.170 1.00 0.00 N ATOM 0 H ARG A 40 -8.653 4.961 -5.968 1.00 0.00 H new ATOM 0 HA ARG A 40 -10.327 5.469 -7.322 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -8.070 6.949 -8.424 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -9.168 6.476 -9.705 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -10.854 7.848 -8.953 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -10.534 7.493 -7.267 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -9.450 9.476 -7.059 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -8.258 8.947 -8.230 1.00 0.00 H new ATOM 0 HE ARG A 40 -10.501 10.780 -8.714 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -8.300 8.441 -10.222 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -8.465 9.144 -11.834 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -10.713 11.689 -10.799 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -9.835 10.987 -12.162 1.00 0.00 H new ATOM 569 N THR A 41 -10.413 3.252 -8.539 1.00 0.00 N ATOM 570 CA THR A 41 -10.671 2.114 -9.405 1.00 0.00 C ATOM 571 C THR A 41 -9.408 1.738 -10.182 1.00 0.00 C ATOM 572 O THR A 41 -9.488 1.298 -11.328 1.00 0.00 O ATOM 573 CB THR A 41 -11.857 2.464 -10.305 1.00 0.00 C ATOM 574 OG1 THR A 41 -11.334 3.435 -11.207 1.00 0.00 O ATOM 575 CG2 THR A 41 -12.962 3.210 -9.555 1.00 0.00 C ATOM 0 H THR A 41 -10.925 3.241 -7.657 1.00 0.00 H new ATOM 0 HA THR A 41 -10.934 1.228 -8.827 1.00 0.00 H new ATOM 0 HB THR A 41 -12.265 1.551 -10.738 1.00 0.00 H new ATOM 0 HG1 THR A 41 -12.037 3.716 -11.829 1.00 0.00 H new ATOM 0 HG21 THR A 41 -13.779 3.434 -10.240 1.00 0.00 H new ATOM 0 HG22 THR A 41 -13.332 2.588 -8.740 1.00 0.00 H new ATOM 0 HG23 THR A 41 -12.563 4.140 -9.150 1.00 0.00 H new ATOM 583 N GLN A 42 -8.271 1.927 -9.528 1.00 0.00 N ATOM 584 CA GLN A 42 -6.993 1.613 -10.143 1.00 0.00 C ATOM 585 C GLN A 42 -6.058 0.962 -9.122 1.00 0.00 C ATOM 586 O GLN A 42 -5.621 1.610 -8.173 1.00 0.00 O ATOM 587 CB GLN A 42 -6.355 2.865 -10.750 1.00 0.00 C ATOM 588 CG GLN A 42 -4.861 2.930 -10.427 1.00 0.00 C ATOM 589 CD GLN A 42 -4.127 3.842 -11.413 1.00 0.00 C ATOM 590 OE1 GLN A 42 -3.059 3.527 -11.912 1.00 0.00 O ATOM 591 NE2 GLN A 42 -4.757 4.986 -11.664 1.00 0.00 N ATOM 0 H GLN A 42 -8.209 2.294 -8.578 1.00 0.00 H new ATOM 0 HA GLN A 42 -7.166 0.904 -10.952 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -6.497 2.863 -11.831 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -6.853 3.755 -10.365 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -4.720 3.299 -9.411 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -4.433 1.928 -10.465 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -5.649 5.187 -11.212 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -4.348 5.663 -12.309 1.00 0.00 H new ATOM 600 N ASP A 43 -5.778 -0.313 -9.353 1.00 0.00 N ATOM 601 CA ASP A 43 -4.903 -1.059 -8.465 1.00 0.00 C ATOM 602 C ASP A 43 -3.704 -1.582 -9.259 1.00 0.00 C ATOM 603 O ASP A 43 -3.713 -1.561 -10.489 1.00 0.00 O ATOM 604 CB ASP A 43 -5.629 -2.262 -7.859 1.00 0.00 C ATOM 605 CG ASP A 43 -6.790 -2.805 -8.695 1.00 0.00 C ATOM 606 OD1 ASP A 43 -6.742 -2.609 -9.928 1.00 0.00 O ATOM 607 OD2 ASP A 43 -7.701 -3.402 -8.081 1.00 0.00 O ATOM 0 H ASP A 43 -6.142 -0.848 -10.142 1.00 0.00 H new ATOM 0 HA ASP A 43 -4.584 -0.390 -7.666 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -4.906 -3.063 -7.704 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -6.009 -1.981 -6.877 1.00 0.00 H new ATOM 612 N GLN A 44 -2.701 -2.038 -8.523 1.00 0.00 N ATOM 613 CA GLN A 44 -1.497 -2.564 -9.143 1.00 0.00 C ATOM 614 C GLN A 44 -0.766 -3.497 -8.175 1.00 0.00 C ATOM 615 O GLN A 44 -0.395 -3.089 -7.076 1.00 0.00 O ATOM 616 CB GLN A 44 -0.580 -1.432 -9.610 1.00 0.00 C ATOM 617 CG GLN A 44 -1.262 -0.583 -10.685 1.00 0.00 C ATOM 618 CD GLN A 44 -0.289 0.439 -11.275 1.00 0.00 C ATOM 619 OE1 GLN A 44 0.730 0.102 -11.855 1.00 0.00 O ATOM 620 NE2 GLN A 44 -0.658 1.704 -11.096 1.00 0.00 N ATOM 0 H GLN A 44 -2.698 -2.054 -7.503 1.00 0.00 H new ATOM 0 HA GLN A 44 -1.787 -3.138 -10.023 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -0.311 -0.803 -8.761 1.00 0.00 H new ATOM 0 HB3 GLN A 44 0.347 -1.849 -10.004 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -1.641 -1.229 -11.477 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -2.121 -0.067 -10.256 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -1.524 1.917 -10.601 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -0.075 2.461 -11.454 1.00 0.00 H new ATOM 629 N LYS A 45 -0.582 -4.732 -8.619 1.00 0.00 N ATOM 630 CA LYS A 45 0.098 -5.726 -7.806 1.00 0.00 C ATOM 631 C LYS A 45 1.609 -5.597 -8.008 1.00 0.00 C ATOM 632 O LYS A 45 2.060 -5.051 -9.013 1.00 0.00 O ATOM 633 CB LYS A 45 -0.446 -7.125 -8.104 1.00 0.00 C ATOM 634 CG LYS A 45 -1.584 -7.486 -7.148 1.00 0.00 C ATOM 635 CD LYS A 45 -2.899 -6.841 -7.592 1.00 0.00 C ATOM 636 CE LYS A 45 -3.401 -7.462 -8.897 1.00 0.00 C ATOM 637 NZ LYS A 45 -3.647 -6.412 -9.910 1.00 0.00 N ATOM 0 H LYS A 45 -0.892 -5.067 -9.531 1.00 0.00 H new ATOM 0 HA LYS A 45 -0.098 -5.552 -6.748 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -0.803 -7.169 -9.133 1.00 0.00 H new ATOM 0 HB3 LYS A 45 0.356 -7.858 -8.014 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -1.701 -8.569 -7.109 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -1.335 -7.156 -6.140 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -3.651 -6.966 -6.813 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -2.755 -5.769 -7.727 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -2.667 -8.174 -9.274 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -4.319 -8.019 -8.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -3.987 -6.851 -10.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -4.364 -5.748 -9.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -2.763 -5.898 -10.099 1.00 0.00 H new ATOM 651 N SER A 46 2.349 -6.109 -7.036 1.00 0.00 N ATOM 652 CA SER A 46 3.800 -6.059 -7.094 1.00 0.00 C ATOM 653 C SER A 46 4.366 -7.466 -7.292 1.00 0.00 C ATOM 654 O SER A 46 3.619 -8.444 -7.300 1.00 0.00 O ATOM 655 CB SER A 46 4.381 -5.427 -5.828 1.00 0.00 C ATOM 656 OG SER A 46 5.432 -4.511 -6.122 1.00 0.00 O ATOM 0 H SER A 46 1.971 -6.561 -6.203 1.00 0.00 H new ATOM 0 HA SER A 46 4.086 -5.437 -7.942 1.00 0.00 H new ATOM 0 HB2 SER A 46 3.590 -4.909 -5.286 1.00 0.00 H new ATOM 0 HB3 SER A 46 4.757 -6.211 -5.171 1.00 0.00 H new ATOM 0 HG SER A 46 5.051 -3.672 -6.457 1.00 0.00 H new ATOM 662 N ASN A 47 5.680 -7.525 -7.447 1.00 0.00 N ATOM 663 CA ASN A 47 6.354 -8.797 -7.644 1.00 0.00 C ATOM 664 C ASN A 47 5.870 -9.795 -6.590 1.00 0.00 C ATOM 665 O ASN A 47 5.366 -9.399 -5.540 1.00 0.00 O ATOM 666 CB ASN A 47 7.869 -8.647 -7.492 1.00 0.00 C ATOM 667 CG ASN A 47 8.466 -7.882 -8.675 1.00 0.00 C ATOM 668 OD1 ASN A 47 8.869 -8.452 -9.676 1.00 0.00 O ATOM 669 ND2 ASN A 47 8.500 -6.564 -8.504 1.00 0.00 N ATOM 0 H ASN A 47 6.296 -6.712 -7.440 1.00 0.00 H new ATOM 0 HA ASN A 47 6.125 -9.147 -8.651 1.00 0.00 H new ATOM 0 HB2 ASN A 47 8.095 -8.122 -6.564 1.00 0.00 H new ATOM 0 HB3 ASN A 47 8.330 -9.632 -7.421 1.00 0.00 H new ATOM 0 HD21 ASN A 47 8.880 -5.964 -9.236 1.00 0.00 H new ATOM 0 HD22 ASN A 47 8.146 -6.152 -7.641 1.00 0.00 H new ATOM 676 N VAL A 48 6.039 -11.071 -6.907 1.00 0.00 N ATOM 677 CA VAL A 48 5.625 -12.128 -6.001 1.00 0.00 C ATOM 678 C VAL A 48 6.789 -12.484 -5.074 1.00 0.00 C ATOM 679 O VAL A 48 7.806 -13.010 -5.522 1.00 0.00 O ATOM 680 CB VAL A 48 5.107 -13.327 -6.798 1.00 0.00 C ATOM 681 CG1 VAL A 48 5.183 -14.611 -5.968 1.00 0.00 C ATOM 682 CG2 VAL A 48 3.682 -13.080 -7.297 1.00 0.00 C ATOM 0 H VAL A 48 6.457 -11.396 -7.779 1.00 0.00 H new ATOM 0 HA VAL A 48 4.800 -11.792 -5.373 1.00 0.00 H new ATOM 0 HB VAL A 48 5.749 -13.453 -7.670 1.00 0.00 H new ATOM 0 HG11 VAL A 48 4.809 -15.448 -6.558 1.00 0.00 H new ATOM 0 HG12 VAL A 48 6.218 -14.801 -5.685 1.00 0.00 H new ATOM 0 HG13 VAL A 48 4.576 -14.500 -5.070 1.00 0.00 H new ATOM 0 HG21 VAL A 48 3.338 -13.948 -7.860 1.00 0.00 H new ATOM 0 HG22 VAL A 48 3.022 -12.915 -6.446 1.00 0.00 H new ATOM 0 HG23 VAL A 48 3.669 -12.201 -7.941 1.00 0.00 H new ATOM 692 N ALA A 49 6.600 -12.182 -3.797 1.00 0.00 N ATOM 693 CA ALA A 49 7.622 -12.463 -2.803 1.00 0.00 C ATOM 694 C ALA A 49 7.879 -13.970 -2.755 1.00 0.00 C ATOM 695 O ALA A 49 7.313 -14.674 -1.920 1.00 0.00 O ATOM 696 CB ALA A 49 7.184 -11.903 -1.448 1.00 0.00 C ATOM 0 H ALA A 49 5.755 -11.746 -3.429 1.00 0.00 H new ATOM 0 HA ALA A 49 8.560 -11.976 -3.069 1.00 0.00 H new ATOM 0 HB1 ALA A 49 7.951 -12.114 -0.702 1.00 0.00 H new ATOM 0 HB2 ALA A 49 7.042 -10.825 -1.528 1.00 0.00 H new ATOM 0 HB3 ALA A 49 6.247 -12.371 -1.147 1.00 0.00 H new ATOM 702 N GLU A 50 8.735 -14.422 -3.661 1.00 0.00 N ATOM 703 CA GLU A 50 9.074 -15.833 -3.733 1.00 0.00 C ATOM 704 C GLU A 50 10.014 -16.211 -2.586 1.00 0.00 C ATOM 705 O GLU A 50 11.128 -15.698 -2.496 1.00 0.00 O ATOM 706 CB GLU A 50 9.695 -16.179 -5.087 1.00 0.00 C ATOM 707 CG GLU A 50 8.651 -16.107 -6.203 1.00 0.00 C ATOM 708 CD GLU A 50 9.320 -15.937 -7.569 1.00 0.00 C ATOM 709 OE1 GLU A 50 10.030 -14.921 -7.731 1.00 0.00 O ATOM 710 OE2 GLU A 50 9.105 -16.826 -8.421 1.00 0.00 O ATOM 0 H GLU A 50 9.204 -13.835 -4.351 1.00 0.00 H new ATOM 0 HA GLU A 50 8.157 -16.413 -3.632 1.00 0.00 H new ATOM 0 HB2 GLU A 50 10.512 -15.490 -5.303 1.00 0.00 H new ATOM 0 HB3 GLU A 50 10.124 -17.180 -5.049 1.00 0.00 H new ATOM 0 HG2 GLU A 50 8.047 -17.014 -6.200 1.00 0.00 H new ATOM 0 HG3 GLU A 50 7.974 -15.273 -6.019 1.00 0.00 H new ATOM 717 N GLY A 51 9.529 -17.106 -1.738 1.00 0.00 N ATOM 718 CA GLY A 51 10.312 -17.560 -0.600 1.00 0.00 C ATOM 719 C GLY A 51 11.172 -16.425 -0.040 1.00 0.00 C ATOM 720 O GLY A 51 12.397 -16.461 -0.143 1.00 0.00 O ATOM 0 H GLY A 51 8.604 -17.529 -1.816 1.00 0.00 H new ATOM 0 HA2 GLY A 51 9.647 -17.935 0.178 1.00 0.00 H new ATOM 0 HA3 GLY A 51 10.950 -18.391 -0.901 1.00 0.00 H new ATOM 724 N MET A 52 10.497 -15.445 0.542 1.00 0.00 N ATOM 725 CA MET A 52 11.184 -14.303 1.120 1.00 0.00 C ATOM 726 C MET A 52 11.218 -14.398 2.646 1.00 0.00 C ATOM 727 O MET A 52 12.156 -13.917 3.281 1.00 0.00 O ATOM 728 CB MET A 52 10.471 -13.015 0.704 1.00 0.00 C ATOM 729 CG MET A 52 11.465 -11.992 0.149 1.00 0.00 C ATOM 730 SD MET A 52 12.242 -12.634 -1.324 1.00 0.00 S ATOM 731 CE MET A 52 11.624 -11.474 -2.531 1.00 0.00 C ATOM 0 H MET A 52 9.481 -15.418 0.626 1.00 0.00 H new ATOM 0 HA MET A 52 12.210 -14.296 0.753 1.00 0.00 H new ATOM 0 HB2 MET A 52 9.716 -13.240 -0.050 1.00 0.00 H new ATOM 0 HB3 MET A 52 9.948 -12.591 1.562 1.00 0.00 H new ATOM 0 HG2 MET A 52 10.950 -11.059 -0.079 1.00 0.00 H new ATOM 0 HG3 MET A 52 12.222 -11.764 0.899 1.00 0.00 H new ATOM 0 HE1 MET A 52 11.639 -11.934 -3.519 1.00 0.00 H new ATOM 0 HE2 MET A 52 10.602 -11.194 -2.277 1.00 0.00 H new ATOM 0 HE3 MET A 52 12.253 -10.584 -2.536 1.00 0.00 H new ATOM 741 N GLY A 53 10.184 -15.021 3.192 1.00 0.00 N ATOM 742 CA GLY A 53 10.084 -15.184 4.632 1.00 0.00 C ATOM 743 C GLY A 53 8.976 -14.302 5.209 1.00 0.00 C ATOM 744 O GLY A 53 8.055 -13.908 4.494 1.00 0.00 O ATOM 0 H GLY A 53 9.408 -15.419 2.663 1.00 0.00 H new ATOM 0 HA2 GLY A 53 9.883 -16.229 4.870 1.00 0.00 H new ATOM 0 HA3 GLY A 53 11.036 -14.929 5.097 1.00 0.00 H new ATOM 748 N THR A 54 9.100 -14.016 6.497 1.00 0.00 N ATOM 749 CA THR A 54 8.120 -13.188 7.178 1.00 0.00 C ATOM 750 C THR A 54 8.370 -11.709 6.876 1.00 0.00 C ATOM 751 O THR A 54 7.697 -10.837 7.423 1.00 0.00 O ATOM 752 CB THR A 54 8.174 -13.521 8.670 1.00 0.00 C ATOM 753 OG1 THR A 54 9.558 -13.742 8.927 1.00 0.00 O ATOM 754 CG2 THR A 54 7.515 -14.864 8.994 1.00 0.00 C ATOM 0 H THR A 54 9.865 -14.343 7.087 1.00 0.00 H new ATOM 0 HA THR A 54 7.111 -13.395 6.821 1.00 0.00 H new ATOM 0 HB THR A 54 7.683 -12.730 9.237 1.00 0.00 H new ATOM 0 HG1 THR A 54 9.684 -13.962 9.874 1.00 0.00 H new ATOM 0 HG21 THR A 54 7.581 -15.052 10.066 1.00 0.00 H new ATOM 0 HG22 THR A 54 6.468 -14.837 8.694 1.00 0.00 H new ATOM 0 HG23 THR A 54 8.027 -15.660 8.454 1.00 0.00 H new ATOM 762 N THR A 55 9.341 -11.471 6.007 1.00 0.00 N ATOM 763 CA THR A 55 9.689 -10.113 5.626 1.00 0.00 C ATOM 764 C THR A 55 9.894 -10.019 4.112 1.00 0.00 C ATOM 765 O THR A 55 11.011 -9.804 3.645 1.00 0.00 O ATOM 766 CB THR A 55 10.921 -9.696 6.432 1.00 0.00 C ATOM 767 OG1 THR A 55 11.789 -10.823 6.348 1.00 0.00 O ATOM 768 CG2 THR A 55 10.625 -9.566 7.928 1.00 0.00 C ATOM 0 H THR A 55 9.898 -12.196 5.556 1.00 0.00 H new ATOM 0 HA THR A 55 8.881 -9.419 5.857 1.00 0.00 H new ATOM 0 HB THR A 55 11.299 -8.747 6.052 1.00 0.00 H new ATOM 0 HG1 THR A 55 12.614 -10.638 6.843 1.00 0.00 H new ATOM 0 HG21 THR A 55 11.532 -9.268 8.454 1.00 0.00 H new ATOM 0 HG22 THR A 55 9.852 -8.813 8.082 1.00 0.00 H new ATOM 0 HG23 THR A 55 10.279 -10.525 8.315 1.00 0.00 H new ATOM 776 N PRO A 56 8.768 -10.190 3.369 1.00 0.00 N ATOM 777 CA PRO A 56 8.813 -10.127 1.918 1.00 0.00 C ATOM 778 C PRO A 56 8.954 -8.682 1.436 1.00 0.00 C ATOM 779 O PRO A 56 8.121 -7.834 1.753 1.00 0.00 O ATOM 780 CB PRO A 56 7.523 -10.784 1.455 1.00 0.00 C ATOM 781 CG PRO A 56 6.594 -10.772 2.659 1.00 0.00 C ATOM 782 CD PRO A 56 7.428 -10.447 3.887 1.00 0.00 C ATOM 0 HA PRO A 56 9.679 -10.642 1.502 1.00 0.00 H new ATOM 0 HB2 PRO A 56 7.085 -10.239 0.619 1.00 0.00 H new ATOM 0 HB3 PRO A 56 7.705 -11.803 1.112 1.00 0.00 H new ATOM 0 HG2 PRO A 56 5.806 -10.031 2.526 1.00 0.00 H new ATOM 0 HG3 PRO A 56 6.106 -11.740 2.774 1.00 0.00 H new ATOM 0 HD2 PRO A 56 7.034 -9.578 4.414 1.00 0.00 H new ATOM 0 HD3 PRO A 56 7.430 -11.276 4.595 1.00 0.00 H new ATOM 790 N GLU A 57 10.014 -8.445 0.677 1.00 0.00 N ATOM 791 CA GLU A 57 10.274 -7.117 0.148 1.00 0.00 C ATOM 792 C GLU A 57 9.738 -7.000 -1.280 1.00 0.00 C ATOM 793 O GLU A 57 9.184 -7.957 -1.819 1.00 0.00 O ATOM 794 CB GLU A 57 11.768 -6.789 0.202 1.00 0.00 C ATOM 795 CG GLU A 57 12.195 -6.409 1.621 1.00 0.00 C ATOM 796 CD GLU A 57 13.479 -7.139 2.020 1.00 0.00 C ATOM 797 OE1 GLU A 57 14.152 -7.650 1.099 1.00 0.00 O ATOM 798 OE2 GLU A 57 13.758 -7.170 3.238 1.00 0.00 O ATOM 0 H GLU A 57 10.703 -9.150 0.416 1.00 0.00 H new ATOM 0 HA GLU A 57 9.753 -6.390 0.771 1.00 0.00 H new ATOM 0 HB2 GLU A 57 12.345 -7.649 -0.137 1.00 0.00 H new ATOM 0 HB3 GLU A 57 11.989 -5.968 -0.480 1.00 0.00 H new ATOM 0 HG2 GLU A 57 12.351 -5.332 1.682 1.00 0.00 H new ATOM 0 HG3 GLU A 57 11.399 -6.656 2.323 1.00 0.00 H new ATOM 805 N TRP A 58 9.920 -5.818 -1.851 1.00 0.00 N ATOM 806 CA TRP A 58 9.461 -5.564 -3.206 1.00 0.00 C ATOM 807 C TRP A 58 10.280 -4.401 -3.772 1.00 0.00 C ATOM 808 O TRP A 58 10.756 -4.466 -4.904 1.00 0.00 O ATOM 809 CB TRP A 58 7.954 -5.303 -3.235 1.00 0.00 C ATOM 810 CG TRP A 58 7.107 -6.495 -2.786 1.00 0.00 C ATOM 811 CD1 TRP A 58 6.745 -7.567 -3.504 1.00 0.00 C ATOM 812 CD2 TRP A 58 6.529 -6.696 -1.479 1.00 0.00 C ATOM 813 NE1 TRP A 58 5.978 -8.439 -2.759 1.00 0.00 N ATOM 814 CE2 TRP A 58 5.842 -7.893 -1.489 1.00 0.00 C ATOM 815 CE3 TRP A 58 6.583 -5.892 -0.327 1.00 0.00 C ATOM 816 CZ2 TRP A 58 5.159 -8.394 -0.374 1.00 0.00 C ATOM 817 CZ3 TRP A 58 5.895 -6.406 0.779 1.00 0.00 C ATOM 818 CH2 TRP A 58 5.199 -7.610 0.785 1.00 0.00 C ATOM 0 H TRP A 58 10.379 -5.026 -1.400 1.00 0.00 H new ATOM 0 HA TRP A 58 9.617 -6.440 -3.836 1.00 0.00 H new ATOM 0 HB2 TRP A 58 7.731 -4.450 -2.594 1.00 0.00 H new ATOM 0 HB3 TRP A 58 7.663 -5.025 -4.248 1.00 0.00 H new ATOM 0 HD1 TRP A 58 7.019 -7.728 -4.536 1.00 0.00 H new ATOM 0 HE1 TRP A 58 5.583 -9.322 -3.082 1.00 0.00 H new ATOM 0 HE3 TRP A 58 7.113 -4.952 -0.297 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 4.630 -9.335 -0.406 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 5.906 -5.827 1.691 1.00 0.00 H new ATOM 0 HH2 TRP A 58 4.692 -7.939 1.680 1.00 0.00 H new ATOM 829 N ASN A 59 10.419 -3.366 -2.957 1.00 0.00 N ATOM 830 CA ASN A 59 11.172 -2.191 -3.362 1.00 0.00 C ATOM 831 C ASN A 59 10.644 -1.691 -4.709 1.00 0.00 C ATOM 832 O ASN A 59 11.412 -1.212 -5.542 1.00 0.00 O ATOM 833 CB ASN A 59 12.657 -2.518 -3.529 1.00 0.00 C ATOM 834 CG ASN A 59 13.308 -2.816 -2.177 1.00 0.00 C ATOM 835 OD1 ASN A 59 14.212 -2.129 -1.730 1.00 0.00 O ATOM 836 ND2 ASN A 59 12.799 -3.874 -1.552 1.00 0.00 N ATOM 0 H ASN A 59 10.023 -3.316 -2.018 1.00 0.00 H new ATOM 0 HA ASN A 59 11.055 -1.433 -2.588 1.00 0.00 H new ATOM 0 HB2 ASN A 59 12.772 -3.378 -4.189 1.00 0.00 H new ATOM 0 HB3 ASN A 59 13.166 -1.680 -4.005 1.00 0.00 H new ATOM 0 HD21 ASN A 59 13.165 -4.154 -0.642 1.00 0.00 H new ATOM 0 HD22 ASN A 59 12.042 -4.406 -1.983 1.00 0.00 H new ATOM 843 N GLU A 60 9.336 -1.820 -4.881 1.00 0.00 N ATOM 844 CA GLU A 60 8.697 -1.388 -6.112 1.00 0.00 C ATOM 845 C GLU A 60 8.192 0.049 -5.971 1.00 0.00 C ATOM 846 O GLU A 60 8.380 0.679 -4.931 1.00 0.00 O ATOM 847 CB GLU A 60 7.559 -2.334 -6.499 1.00 0.00 C ATOM 848 CG GLU A 60 8.051 -3.422 -7.456 1.00 0.00 C ATOM 849 CD GLU A 60 8.673 -2.807 -8.712 1.00 0.00 C ATOM 850 OE1 GLU A 60 7.892 -2.483 -9.631 1.00 0.00 O ATOM 851 OE2 GLU A 60 9.916 -2.676 -8.723 1.00 0.00 O ATOM 0 H GLU A 60 8.702 -2.218 -4.188 1.00 0.00 H new ATOM 0 HA GLU A 60 9.436 -1.415 -6.912 1.00 0.00 H new ATOM 0 HB2 GLU A 60 7.143 -2.794 -5.603 1.00 0.00 H new ATOM 0 HB3 GLU A 60 6.755 -1.768 -6.969 1.00 0.00 H new ATOM 0 HG2 GLU A 60 8.786 -4.050 -6.952 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.219 -4.068 -7.737 1.00 0.00 H new ATOM 858 N THR A 61 7.560 0.527 -7.033 1.00 0.00 N ATOM 859 CA THR A 61 7.026 1.879 -7.041 1.00 0.00 C ATOM 860 C THR A 61 5.842 1.979 -8.005 1.00 0.00 C ATOM 861 O THR A 61 5.951 1.600 -9.170 1.00 0.00 O ATOM 862 CB THR A 61 8.169 2.836 -7.382 1.00 0.00 C ATOM 863 OG1 THR A 61 8.942 2.895 -6.186 1.00 0.00 O ATOM 864 CG2 THR A 61 7.688 4.274 -7.586 1.00 0.00 C ATOM 0 H THR A 61 7.406 0.002 -7.894 1.00 0.00 H new ATOM 0 HA THR A 61 6.632 2.155 -6.063 1.00 0.00 H new ATOM 0 HB THR A 61 8.674 2.491 -8.284 1.00 0.00 H new ATOM 0 HG1 THR A 61 8.527 2.331 -5.500 1.00 0.00 H new ATOM 0 HG21 THR A 61 8.539 4.912 -7.826 1.00 0.00 H new ATOM 0 HG22 THR A 61 6.969 4.305 -8.405 1.00 0.00 H new ATOM 0 HG23 THR A 61 7.213 4.632 -6.673 1.00 0.00 H new ATOM 872 N PHE A 62 4.737 2.490 -7.483 1.00 0.00 N ATOM 873 CA PHE A 62 3.533 2.645 -8.282 1.00 0.00 C ATOM 874 C PHE A 62 3.069 4.102 -8.297 1.00 0.00 C ATOM 875 O PHE A 62 2.856 4.701 -7.244 1.00 0.00 O ATOM 876 CB PHE A 62 2.450 1.783 -7.631 1.00 0.00 C ATOM 877 CG PHE A 62 2.766 0.286 -7.624 1.00 0.00 C ATOM 878 CD1 PHE A 62 2.428 -0.485 -8.692 1.00 0.00 C ATOM 879 CD2 PHE A 62 3.385 -0.274 -6.550 1.00 0.00 C ATOM 880 CE1 PHE A 62 2.721 -1.874 -8.686 1.00 0.00 C ATOM 881 CE2 PHE A 62 3.678 -1.663 -6.544 1.00 0.00 C ATOM 882 CZ PHE A 62 3.340 -2.434 -7.613 1.00 0.00 C ATOM 0 H PHE A 62 4.650 2.802 -6.516 1.00 0.00 H new ATOM 0 HA PHE A 62 3.728 2.344 -9.311 1.00 0.00 H new ATOM 0 HB2 PHE A 62 2.303 2.117 -6.604 1.00 0.00 H new ATOM 0 HB3 PHE A 62 1.508 1.943 -8.157 1.00 0.00 H new ATOM 0 HD1 PHE A 62 1.937 -0.041 -9.545 1.00 0.00 H new ATOM 0 HD2 PHE A 62 3.654 0.338 -5.702 1.00 0.00 H new ATOM 0 HE1 PHE A 62 2.452 -2.486 -9.534 1.00 0.00 H new ATOM 0 HE2 PHE A 62 4.169 -2.108 -5.691 1.00 0.00 H new ATOM 0 HZ PHE A 62 3.563 -3.491 -7.609 1.00 0.00 H new ATOM 892 N ILE A 63 2.924 4.632 -9.503 1.00 0.00 N ATOM 893 CA ILE A 63 2.489 6.008 -9.669 1.00 0.00 C ATOM 894 C ILE A 63 0.993 6.029 -9.991 1.00 0.00 C ATOM 895 O ILE A 63 0.528 5.277 -10.846 1.00 0.00 O ATOM 896 CB ILE A 63 3.352 6.721 -10.711 1.00 0.00 C ATOM 897 CG1 ILE A 63 4.841 6.517 -10.422 1.00 0.00 C ATOM 898 CG2 ILE A 63 2.985 8.203 -10.806 1.00 0.00 C ATOM 899 CD1 ILE A 63 5.170 6.863 -8.968 1.00 0.00 C ATOM 0 H ILE A 63 3.100 4.133 -10.375 1.00 0.00 H new ATOM 0 HA ILE A 63 2.625 6.565 -8.742 1.00 0.00 H new ATOM 0 HB ILE A 63 3.149 6.276 -11.685 1.00 0.00 H new ATOM 0 HG12 ILE A 63 5.116 5.482 -10.624 1.00 0.00 H new ATOM 0 HG13 ILE A 63 5.434 7.141 -11.091 1.00 0.00 H new ATOM 0 HG21 ILE A 63 3.614 8.686 -11.554 1.00 0.00 H new ATOM 0 HG22 ILE A 63 1.938 8.301 -11.094 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.141 8.679 -9.838 1.00 0.00 H new ATOM 0 HD11 ILE A 63 6.234 6.709 -8.789 1.00 0.00 H new ATOM 0 HD12 ILE A 63 4.917 7.906 -8.776 1.00 0.00 H new ATOM 0 HD13 ILE A 63 4.594 6.221 -8.302 1.00 0.00 H new ATOM 911 N PHE A 64 0.282 6.899 -9.289 1.00 0.00 N ATOM 912 CA PHE A 64 -1.152 7.028 -9.489 1.00 0.00 C ATOM 913 C PHE A 64 -1.533 8.476 -9.806 1.00 0.00 C ATOM 914 O PHE A 64 -0.758 9.396 -9.547 1.00 0.00 O ATOM 915 CB PHE A 64 -1.826 6.611 -8.181 1.00 0.00 C ATOM 916 CG PHE A 64 -1.766 5.108 -7.902 1.00 0.00 C ATOM 917 CD1 PHE A 64 -2.581 4.257 -8.581 1.00 0.00 C ATOM 918 CD2 PHE A 64 -0.898 4.622 -6.974 1.00 0.00 C ATOM 919 CE1 PHE A 64 -2.525 2.862 -8.322 1.00 0.00 C ATOM 920 CE2 PHE A 64 -0.842 3.227 -6.715 1.00 0.00 C ATOM 921 CZ PHE A 64 -1.657 2.376 -7.395 1.00 0.00 C ATOM 0 H PHE A 64 0.672 7.521 -8.581 1.00 0.00 H new ATOM 0 HA PHE A 64 -1.468 6.405 -10.326 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -1.353 7.143 -7.355 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -2.870 6.924 -8.206 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -3.271 4.642 -9.317 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -0.251 5.298 -6.434 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -3.172 2.187 -8.862 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -0.153 2.842 -5.978 1.00 0.00 H new ATOM 0 HZ PHE A 64 -1.615 1.315 -7.199 1.00 0.00 H new ATOM 931 N THR A 65 -2.725 8.632 -10.361 1.00 0.00 N ATOM 932 CA THR A 65 -3.219 9.952 -10.716 1.00 0.00 C ATOM 933 C THR A 65 -4.347 10.372 -9.771 1.00 0.00 C ATOM 934 O THR A 65 -5.465 9.870 -9.873 1.00 0.00 O ATOM 935 CB THR A 65 -3.638 9.921 -12.187 1.00 0.00 C ATOM 936 OG1 THR A 65 -2.417 10.104 -12.900 1.00 0.00 O ATOM 937 CG2 THR A 65 -4.484 11.133 -12.581 1.00 0.00 C ATOM 0 H THR A 65 -3.364 7.866 -10.574 1.00 0.00 H new ATOM 0 HA THR A 65 -2.443 10.708 -10.601 1.00 0.00 H new ATOM 0 HB THR A 65 -4.198 9.007 -12.385 1.00 0.00 H new ATOM 0 HG1 THR A 65 -2.596 10.095 -13.863 1.00 0.00 H new ATOM 0 HG21 THR A 65 -4.754 11.061 -13.635 1.00 0.00 H new ATOM 0 HG22 THR A 65 -5.390 11.157 -11.975 1.00 0.00 H new ATOM 0 HG23 THR A 65 -3.912 12.046 -12.415 1.00 0.00 H new ATOM 945 N VAL A 66 -4.014 11.288 -8.874 1.00 0.00 N ATOM 946 CA VAL A 66 -4.985 11.781 -7.912 1.00 0.00 C ATOM 947 C VAL A 66 -5.850 12.857 -8.573 1.00 0.00 C ATOM 948 O VAL A 66 -5.381 13.588 -9.443 1.00 0.00 O ATOM 949 CB VAL A 66 -4.270 12.278 -6.654 1.00 0.00 C ATOM 950 CG1 VAL A 66 -5.274 12.612 -5.549 1.00 0.00 C ATOM 951 CG2 VAL A 66 -3.240 11.256 -6.169 1.00 0.00 C ATOM 0 H VAL A 66 -3.085 11.702 -8.793 1.00 0.00 H new ATOM 0 HA VAL A 66 -5.650 10.978 -7.595 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.738 13.194 -6.911 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -4.740 12.963 -4.666 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -5.952 13.392 -5.897 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -5.847 11.720 -5.296 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -2.746 11.634 -5.274 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -3.741 10.316 -5.938 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -2.498 11.089 -6.950 1.00 0.00 H new ATOM 961 N SER A 67 -7.099 12.919 -8.134 1.00 0.00 N ATOM 962 CA SER A 67 -8.033 13.893 -8.671 1.00 0.00 C ATOM 963 C SER A 67 -9.267 13.987 -7.770 1.00 0.00 C ATOM 964 O SER A 67 -10.365 13.610 -8.175 1.00 0.00 O ATOM 965 CB SER A 67 -8.446 13.531 -10.099 1.00 0.00 C ATOM 966 OG SER A 67 -7.379 12.926 -10.826 1.00 0.00 O ATOM 0 H SER A 67 -7.485 12.310 -7.412 1.00 0.00 H new ATOM 0 HA SER A 67 -7.537 14.863 -8.700 1.00 0.00 H new ATOM 0 HB2 SER A 67 -9.296 12.850 -10.069 1.00 0.00 H new ATOM 0 HB3 SER A 67 -8.776 14.430 -10.620 1.00 0.00 H new ATOM 0 HG SER A 67 -6.543 13.401 -10.636 1.00 0.00 H new ATOM 972 N GLU A 68 -9.043 14.493 -6.566 1.00 0.00 N ATOM 973 CA GLU A 68 -10.123 14.642 -5.605 1.00 0.00 C ATOM 974 C GLU A 68 -10.772 13.286 -5.322 1.00 0.00 C ATOM 975 O GLU A 68 -10.614 12.344 -6.098 1.00 0.00 O ATOM 976 CB GLU A 68 -11.159 15.654 -6.097 1.00 0.00 C ATOM 977 CG GLU A 68 -11.277 16.833 -5.128 1.00 0.00 C ATOM 978 CD GLU A 68 -12.743 17.189 -4.874 1.00 0.00 C ATOM 979 OE1 GLU A 68 -13.440 17.468 -5.873 1.00 0.00 O ATOM 980 OE2 GLU A 68 -13.132 17.175 -3.686 1.00 0.00 O ATOM 0 H GLU A 68 -8.130 14.805 -6.234 1.00 0.00 H new ATOM 0 HA GLU A 68 -9.705 15.024 -4.674 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -10.877 16.018 -7.085 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -12.128 15.166 -6.202 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -10.791 16.583 -4.185 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -10.754 17.698 -5.537 1.00 0.00 H new ATOM 987 N GLY A 69 -11.489 13.229 -4.210 1.00 0.00 N ATOM 988 CA GLY A 69 -12.163 12.004 -3.815 1.00 0.00 C ATOM 989 C GLY A 69 -11.197 11.049 -3.111 1.00 0.00 C ATOM 990 O GLY A 69 -11.450 10.625 -1.984 1.00 0.00 O ATOM 0 H GLY A 69 -11.618 14.012 -3.569 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -12.995 12.240 -3.151 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -12.585 11.517 -4.694 1.00 0.00 H new ATOM 994 N THR A 70 -10.111 10.740 -3.804 1.00 0.00 N ATOM 995 CA THR A 70 -9.106 9.843 -3.259 1.00 0.00 C ATOM 996 C THR A 70 -8.187 10.595 -2.295 1.00 0.00 C ATOM 997 O THR A 70 -7.523 11.554 -2.686 1.00 0.00 O ATOM 998 CB THR A 70 -8.363 9.199 -4.430 1.00 0.00 C ATOM 999 OG1 THR A 70 -9.198 8.111 -4.816 1.00 0.00 O ATOM 1000 CG2 THR A 70 -7.056 8.530 -3.998 1.00 0.00 C ATOM 0 H THR A 70 -9.905 11.095 -4.738 1.00 0.00 H new ATOM 0 HA THR A 70 -9.563 9.048 -2.669 1.00 0.00 H new ATOM 0 HB THR A 70 -8.151 9.956 -5.185 1.00 0.00 H new ATOM 0 HG1 THR A 70 -8.791 7.639 -5.572 1.00 0.00 H new ATOM 0 HG21 THR A 70 -6.569 8.089 -4.867 1.00 0.00 H new ATOM 0 HG22 THR A 70 -6.397 9.274 -3.551 1.00 0.00 H new ATOM 0 HG23 THR A 70 -7.271 7.750 -3.267 1.00 0.00 H new ATOM 1008 N THR A 71 -8.178 10.132 -1.054 1.00 0.00 N ATOM 1009 CA THR A 71 -7.350 10.749 -0.031 1.00 0.00 C ATOM 1010 C THR A 71 -6.635 9.678 0.795 1.00 0.00 C ATOM 1011 O THR A 71 -6.079 9.972 1.852 1.00 0.00 O ATOM 1012 CB THR A 71 -8.242 11.668 0.807 1.00 0.00 C ATOM 1013 OG1 THR A 71 -9.137 10.776 1.466 1.00 0.00 O ATOM 1014 CG2 THR A 71 -9.154 12.544 -0.054 1.00 0.00 C ATOM 0 H THR A 71 -8.731 9.337 -0.733 1.00 0.00 H new ATOM 0 HA THR A 71 -6.559 11.354 -0.474 1.00 0.00 H new ATOM 0 HB THR A 71 -7.619 12.303 1.437 1.00 0.00 H new ATOM 0 HG1 THR A 71 -9.751 11.288 2.033 1.00 0.00 H new ATOM 0 HG21 THR A 71 -9.765 13.176 0.590 1.00 0.00 H new ATOM 0 HG22 THR A 71 -8.546 13.171 -0.707 1.00 0.00 H new ATOM 0 HG23 THR A 71 -9.801 11.910 -0.660 1.00 0.00 H new ATOM 1022 N GLU A 72 -6.673 8.457 0.281 1.00 0.00 N ATOM 1023 CA GLU A 72 -6.036 7.340 0.958 1.00 0.00 C ATOM 1024 C GLU A 72 -5.807 6.187 -0.021 1.00 0.00 C ATOM 1025 O GLU A 72 -6.572 6.011 -0.968 1.00 0.00 O ATOM 1026 CB GLU A 72 -6.864 6.882 2.160 1.00 0.00 C ATOM 1027 CG GLU A 72 -7.904 5.840 1.744 1.00 0.00 C ATOM 1028 CD GLU A 72 -9.231 6.069 2.471 1.00 0.00 C ATOM 1029 OE1 GLU A 72 -9.798 7.167 2.283 1.00 0.00 O ATOM 1030 OE2 GLU A 72 -9.648 5.141 3.197 1.00 0.00 O ATOM 0 H GLU A 72 -7.135 8.217 -0.596 1.00 0.00 H new ATOM 0 HA GLU A 72 -5.067 7.672 1.332 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -6.206 6.461 2.920 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -7.363 7.740 2.610 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -8.062 5.889 0.667 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -7.531 4.840 1.966 1.00 0.00 H new ATOM 1037 N LEU A 73 -4.750 5.432 0.240 1.00 0.00 N ATOM 1038 CA LEU A 73 -4.410 4.301 -0.607 1.00 0.00 C ATOM 1039 C LEU A 73 -4.741 3.001 0.130 1.00 0.00 C ATOM 1040 O LEU A 73 -4.554 2.906 1.342 1.00 0.00 O ATOM 1041 CB LEU A 73 -2.954 4.394 -1.067 1.00 0.00 C ATOM 1042 CG LEU A 73 -2.428 3.204 -1.872 1.00 0.00 C ATOM 1043 CD1 LEU A 73 -2.655 3.413 -3.370 1.00 0.00 C ATOM 1044 CD2 LEU A 73 -0.958 2.930 -1.548 1.00 0.00 C ATOM 0 H LEU A 73 -4.118 5.581 1.026 1.00 0.00 H new ATOM 0 HA LEU A 73 -5.008 4.313 -1.518 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -2.841 5.294 -1.671 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -2.323 4.520 -0.187 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.992 2.318 -1.581 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -2.272 2.553 -3.919 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -3.722 3.522 -3.565 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -2.133 4.313 -3.695 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.609 2.079 -2.133 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.361 3.809 -1.793 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -0.855 2.706 -0.486 1.00 0.00 H new ATOM 1056 N LYS A 74 -5.226 2.033 -0.634 1.00 0.00 N ATOM 1057 CA LYS A 74 -5.584 0.743 -0.069 1.00 0.00 C ATOM 1058 C LYS A 74 -4.552 -0.301 -0.499 1.00 0.00 C ATOM 1059 O LYS A 74 -4.248 -0.427 -1.684 1.00 0.00 O ATOM 1060 CB LYS A 74 -7.022 0.376 -0.440 1.00 0.00 C ATOM 1061 CG LYS A 74 -7.997 0.793 0.663 1.00 0.00 C ATOM 1062 CD LYS A 74 -7.941 2.303 0.902 1.00 0.00 C ATOM 1063 CE LYS A 74 -9.321 2.939 0.717 1.00 0.00 C ATOM 1064 NZ LYS A 74 -9.381 3.682 -0.561 1.00 0.00 N ATOM 0 H LYS A 74 -5.379 2.116 -1.639 1.00 0.00 H new ATOM 0 HA LYS A 74 -5.561 0.784 1.020 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -7.296 0.864 -1.376 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -7.095 -0.699 -0.608 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -9.010 0.502 0.386 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -7.755 0.266 1.586 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -7.577 2.502 1.910 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -7.231 2.758 0.211 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -10.089 2.166 0.732 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -9.532 3.613 1.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -10.211 4.308 -0.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -8.518 4.251 -0.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -9.456 3.009 -1.350 1.00 0.00 H new ATOM 1078 N ALA A 75 -4.043 -1.024 0.488 1.00 0.00 N ATOM 1079 CA ALA A 75 -3.052 -2.054 0.226 1.00 0.00 C ATOM 1080 C ALA A 75 -3.525 -3.377 0.832 1.00 0.00 C ATOM 1081 O ALA A 75 -3.615 -3.509 2.051 1.00 0.00 O ATOM 1082 CB ALA A 75 -1.696 -1.611 0.781 1.00 0.00 C ATOM 0 H ALA A 75 -4.298 -0.917 1.470 1.00 0.00 H new ATOM 0 HA ALA A 75 -2.932 -2.207 -0.847 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -0.953 -2.384 0.585 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -1.391 -0.683 0.298 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -1.778 -1.451 1.856 1.00 0.00 H new ATOM 1088 N LYS A 76 -3.815 -4.324 -0.049 1.00 0.00 N ATOM 1089 CA LYS A 76 -4.276 -5.632 0.384 1.00 0.00 C ATOM 1090 C LYS A 76 -3.233 -6.686 0.009 1.00 0.00 C ATOM 1091 O LYS A 76 -2.659 -6.638 -1.078 1.00 0.00 O ATOM 1092 CB LYS A 76 -5.670 -5.921 -0.177 1.00 0.00 C ATOM 1093 CG LYS A 76 -6.754 -5.269 0.685 1.00 0.00 C ATOM 1094 CD LYS A 76 -8.109 -5.945 0.465 1.00 0.00 C ATOM 1095 CE LYS A 76 -9.034 -5.721 1.664 1.00 0.00 C ATOM 1096 NZ LYS A 76 -9.953 -4.591 1.405 1.00 0.00 N ATOM 0 H LYS A 76 -3.740 -4.211 -1.060 1.00 0.00 H new ATOM 0 HA LYS A 76 -4.381 -5.659 1.469 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -5.739 -5.548 -1.199 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -5.833 -6.998 -0.219 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -6.477 -5.336 1.737 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -6.828 -4.209 0.442 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -8.575 -5.549 -0.437 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -7.965 -7.014 0.307 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -9.608 -6.626 1.862 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -8.441 -5.518 2.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -10.573 -4.452 2.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -9.401 -3.726 1.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -10.532 -4.799 0.566 1.00 0.00 H new ATOM 1110 N ILE A 77 -3.018 -7.613 0.931 1.00 0.00 N ATOM 1111 CA ILE A 77 -2.053 -8.677 0.711 1.00 0.00 C ATOM 1112 C ILE A 77 -2.793 -10.007 0.557 1.00 0.00 C ATOM 1113 O ILE A 77 -3.820 -10.228 1.198 1.00 0.00 O ATOM 1114 CB ILE A 77 -1.001 -8.684 1.822 1.00 0.00 C ATOM 1115 CG1 ILE A 77 -0.330 -7.315 1.950 1.00 0.00 C ATOM 1116 CG2 ILE A 77 0.019 -9.804 1.604 1.00 0.00 C ATOM 1117 CD1 ILE A 77 -0.950 -6.505 3.090 1.00 0.00 C ATOM 0 H ILE A 77 -3.495 -7.649 1.832 1.00 0.00 H new ATOM 0 HA ILE A 77 -1.504 -8.508 -0.215 1.00 0.00 H new ATOM 0 HB ILE A 77 -1.504 -8.886 2.768 1.00 0.00 H new ATOM 0 HG12 ILE A 77 0.737 -7.445 2.130 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -0.431 -6.767 1.013 1.00 0.00 H new ATOM 0 HG21 ILE A 77 0.755 -9.787 2.407 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -0.493 -10.767 1.601 1.00 0.00 H new ATOM 0 HG23 ILE A 77 0.522 -9.657 0.648 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -0.455 -5.536 3.159 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -2.012 -6.357 2.895 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -0.825 -7.044 4.029 1.00 0.00 H new ATOM 1129 N PHE A 78 -2.243 -10.859 -0.296 1.00 0.00 N ATOM 1130 CA PHE A 78 -2.839 -12.161 -0.542 1.00 0.00 C ATOM 1131 C PHE A 78 -1.762 -13.215 -0.807 1.00 0.00 C ATOM 1132 O PHE A 78 -0.666 -13.142 -0.252 1.00 0.00 O ATOM 1133 CB PHE A 78 -3.718 -12.023 -1.786 1.00 0.00 C ATOM 1134 CG PHE A 78 -4.718 -10.868 -1.717 1.00 0.00 C ATOM 1135 CD1 PHE A 78 -4.305 -9.595 -1.961 1.00 0.00 C ATOM 1136 CD2 PHE A 78 -6.020 -11.113 -1.411 1.00 0.00 C ATOM 1137 CE1 PHE A 78 -5.233 -8.523 -1.897 1.00 0.00 C ATOM 1138 CE2 PHE A 78 -6.948 -10.040 -1.346 1.00 0.00 C ATOM 1139 CZ PHE A 78 -6.535 -8.768 -1.591 1.00 0.00 C ATOM 0 H PHE A 78 -1.391 -10.673 -0.825 1.00 0.00 H new ATOM 0 HA PHE A 78 -3.413 -12.478 0.328 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -3.078 -11.884 -2.657 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -4.264 -12.954 -1.937 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -3.271 -9.400 -2.203 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -6.348 -12.123 -1.217 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -4.905 -7.513 -2.091 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -7.982 -10.234 -1.102 1.00 0.00 H new ATOM 0 HZ PHE A 78 -7.241 -7.952 -1.543 1.00 0.00 H new ATOM 1149 N ASP A 79 -2.110 -14.171 -1.655 1.00 0.00 N ATOM 1150 CA ASP A 79 -1.187 -15.239 -2.001 1.00 0.00 C ATOM 1151 C ASP A 79 -1.236 -15.481 -3.511 1.00 0.00 C ATOM 1152 O ASP A 79 -2.311 -15.669 -4.078 1.00 0.00 O ATOM 1153 CB ASP A 79 -1.568 -16.544 -1.300 1.00 0.00 C ATOM 1154 CG ASP A 79 -0.387 -17.383 -0.808 1.00 0.00 C ATOM 1155 OD1 ASP A 79 0.673 -17.313 -1.468 1.00 0.00 O ATOM 1156 OD2 ASP A 79 -0.569 -18.074 0.217 1.00 0.00 O ATOM 0 H ASP A 79 -3.019 -14.229 -2.113 1.00 0.00 H new ATOM 0 HA ASP A 79 -0.188 -14.938 -1.684 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -2.206 -16.308 -0.449 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -2.162 -17.147 -1.986 1.00 0.00 H new ATOM 1161 N LYS A 80 -0.059 -15.468 -4.118 1.00 0.00 N ATOM 1162 CA LYS A 80 0.046 -15.684 -5.551 1.00 0.00 C ATOM 1163 C LYS A 80 -0.930 -16.785 -5.970 1.00 0.00 C ATOM 1164 O LYS A 80 -1.421 -16.789 -7.098 1.00 0.00 O ATOM 1165 CB LYS A 80 1.497 -15.967 -5.946 1.00 0.00 C ATOM 1166 CG LYS A 80 1.869 -17.423 -5.660 1.00 0.00 C ATOM 1167 CD LYS A 80 3.161 -17.810 -6.382 1.00 0.00 C ATOM 1168 CE LYS A 80 2.880 -18.798 -7.517 1.00 0.00 C ATOM 1169 NZ LYS A 80 4.083 -19.610 -7.807 1.00 0.00 N ATOM 0 H LYS A 80 0.830 -15.311 -3.644 1.00 0.00 H new ATOM 0 HA LYS A 80 -0.238 -14.782 -6.093 1.00 0.00 H new ATOM 0 HB2 LYS A 80 1.637 -15.753 -7.006 1.00 0.00 H new ATOM 0 HB3 LYS A 80 2.164 -15.303 -5.396 1.00 0.00 H new ATOM 0 HG2 LYS A 80 1.991 -17.567 -4.586 1.00 0.00 H new ATOM 0 HG3 LYS A 80 1.059 -18.079 -5.980 1.00 0.00 H new ATOM 0 HD2 LYS A 80 3.639 -16.916 -6.783 1.00 0.00 H new ATOM 0 HD3 LYS A 80 3.859 -18.254 -5.673 1.00 0.00 H new ATOM 0 HE2 LYS A 80 2.051 -19.450 -7.242 1.00 0.00 H new ATOM 0 HE3 LYS A 80 2.576 -18.256 -8.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 3.875 -20.275 -8.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 4.864 -18.984 -8.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 4.356 -20.142 -6.956 1.00 0.00 H new ATOM 1183 N ASP A 81 -1.184 -17.692 -5.038 1.00 0.00 N ATOM 1184 CA ASP A 81 -2.093 -18.796 -5.296 1.00 0.00 C ATOM 1185 C ASP A 81 -3.529 -18.268 -5.342 1.00 0.00 C ATOM 1186 O ASP A 81 -4.246 -18.496 -6.315 1.00 0.00 O ATOM 1187 CB ASP A 81 -2.011 -19.848 -4.188 1.00 0.00 C ATOM 1188 CG ASP A 81 -1.251 -21.122 -4.561 1.00 0.00 C ATOM 1189 OD1 ASP A 81 -1.714 -21.806 -5.499 1.00 0.00 O ATOM 1190 OD2 ASP A 81 -0.223 -21.383 -3.900 1.00 0.00 O ATOM 0 H ASP A 81 -0.776 -17.685 -4.103 1.00 0.00 H new ATOM 0 HA ASP A 81 -1.811 -19.250 -6.246 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -1.533 -19.400 -3.317 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -3.024 -20.121 -3.891 1.00 0.00 H new ATOM 1195 N VAL A 82 -3.904 -17.574 -4.278 1.00 0.00 N ATOM 1196 CA VAL A 82 -5.241 -17.012 -4.185 1.00 0.00 C ATOM 1197 C VAL A 82 -5.377 -15.862 -5.184 1.00 0.00 C ATOM 1198 O VAL A 82 -4.576 -15.741 -6.110 1.00 0.00 O ATOM 1199 CB VAL A 82 -5.531 -16.589 -2.743 1.00 0.00 C ATOM 1200 CG1 VAL A 82 -4.845 -17.528 -1.748 1.00 0.00 C ATOM 1201 CG2 VAL A 82 -5.115 -15.137 -2.504 1.00 0.00 C ATOM 0 H VAL A 82 -3.306 -17.388 -3.473 1.00 0.00 H new ATOM 0 HA VAL A 82 -5.989 -17.760 -4.447 1.00 0.00 H new ATOM 0 HB VAL A 82 -6.607 -16.659 -2.582 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -5.067 -17.205 -0.731 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -5.211 -18.544 -1.895 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -3.767 -17.504 -1.909 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -5.332 -14.862 -1.472 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -4.047 -15.029 -2.692 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -5.670 -14.484 -3.178 1.00 0.00 H new ATOM 1211 N GLY A 83 -6.397 -15.046 -4.963 1.00 0.00 N ATOM 1212 CA GLY A 83 -6.648 -13.909 -5.833 1.00 0.00 C ATOM 1213 C GLY A 83 -7.124 -12.698 -5.028 1.00 0.00 C ATOM 1214 O GLY A 83 -7.738 -12.851 -3.973 1.00 0.00 O ATOM 0 H GLY A 83 -7.059 -15.149 -4.194 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -5.738 -13.654 -6.376 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -7.400 -14.174 -6.577 1.00 0.00 H new ATOM 1218 N THR A 84 -6.822 -11.521 -5.557 1.00 0.00 N ATOM 1219 CA THR A 84 -7.211 -10.284 -4.901 1.00 0.00 C ATOM 1220 C THR A 84 -8.617 -10.413 -4.311 1.00 0.00 C ATOM 1221 O THR A 84 -8.890 -9.895 -3.229 1.00 0.00 O ATOM 1222 CB THR A 84 -7.081 -9.149 -5.918 1.00 0.00 C ATOM 1223 OG1 THR A 84 -7.962 -9.524 -6.973 1.00 0.00 O ATOM 1224 CG2 THR A 84 -5.702 -9.111 -6.580 1.00 0.00 C ATOM 0 H THR A 84 -6.313 -11.398 -6.432 1.00 0.00 H new ATOM 0 HA THR A 84 -6.558 -10.061 -4.058 1.00 0.00 H new ATOM 0 HB THR A 84 -7.273 -8.196 -5.424 1.00 0.00 H new ATOM 0 HG1 THR A 84 -7.941 -8.841 -7.675 1.00 0.00 H new ATOM 0 HG21 THR A 84 -5.663 -8.287 -7.293 1.00 0.00 H new ATOM 0 HG22 THR A 84 -4.936 -8.968 -5.818 1.00 0.00 H new ATOM 0 HG23 THR A 84 -5.523 -10.051 -7.102 1.00 0.00 H new ATOM 1232 N GLU A 85 -9.472 -11.106 -5.048 1.00 0.00 N ATOM 1233 CA GLU A 85 -10.843 -11.309 -4.611 1.00 0.00 C ATOM 1234 C GLU A 85 -11.049 -12.757 -4.164 1.00 0.00 C ATOM 1235 O GLU A 85 -11.625 -13.561 -4.895 1.00 0.00 O ATOM 1236 CB GLU A 85 -11.832 -10.931 -5.716 1.00 0.00 C ATOM 1237 CG GLU A 85 -11.641 -9.476 -6.148 1.00 0.00 C ATOM 1238 CD GLU A 85 -11.992 -9.292 -7.626 1.00 0.00 C ATOM 1239 OE1 GLU A 85 -13.052 -9.819 -8.027 1.00 0.00 O ATOM 1240 OE2 GLU A 85 -11.192 -8.630 -8.321 1.00 0.00 O ATOM 0 H GLU A 85 -9.242 -11.534 -5.945 1.00 0.00 H new ATOM 0 HA GLU A 85 -11.032 -10.656 -3.759 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -11.694 -11.590 -6.573 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -12.852 -11.078 -5.362 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -12.269 -8.826 -5.538 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -10.608 -9.174 -5.976 1.00 0.00 H new ATOM 1247 N ASP A 86 -10.565 -13.047 -2.965 1.00 0.00 N ATOM 1248 CA ASP A 86 -10.689 -14.385 -2.411 1.00 0.00 C ATOM 1249 C ASP A 86 -10.401 -14.339 -0.909 1.00 0.00 C ATOM 1250 O ASP A 86 -11.300 -14.540 -0.094 1.00 0.00 O ATOM 1251 CB ASP A 86 -9.685 -15.342 -3.056 1.00 0.00 C ATOM 1252 CG ASP A 86 -10.296 -16.606 -3.665 1.00 0.00 C ATOM 1253 OD1 ASP A 86 -11.527 -16.593 -3.883 1.00 0.00 O ATOM 1254 OD2 ASP A 86 -9.519 -17.556 -3.900 1.00 0.00 O ATOM 0 H ASP A 86 -10.086 -12.378 -2.362 1.00 0.00 H new ATOM 0 HA ASP A 86 -11.701 -14.739 -2.606 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -9.144 -14.806 -3.836 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -8.952 -15.636 -2.305 1.00 0.00 H new ATOM 1259 N ASP A 87 -9.143 -14.073 -0.588 1.00 0.00 N ATOM 1260 CA ASP A 87 -8.725 -13.998 0.802 1.00 0.00 C ATOM 1261 C ASP A 87 -7.409 -13.224 0.893 1.00 0.00 C ATOM 1262 O ASP A 87 -6.377 -13.689 0.412 1.00 0.00 O ATOM 1263 CB ASP A 87 -8.495 -15.394 1.383 1.00 0.00 C ATOM 1264 CG ASP A 87 -7.470 -15.461 2.518 1.00 0.00 C ATOM 1265 OD1 ASP A 87 -7.893 -15.258 3.677 1.00 0.00 O ATOM 1266 OD2 ASP A 87 -6.288 -15.713 2.201 1.00 0.00 O ATOM 0 H ASP A 87 -8.400 -13.907 -1.266 1.00 0.00 H new ATOM 0 HA ASP A 87 -9.513 -13.499 1.365 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -9.446 -15.780 1.749 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -8.170 -16.056 0.581 1.00 0.00 H new ATOM 1271 N ALA A 88 -7.488 -12.056 1.514 1.00 0.00 N ATOM 1272 CA ALA A 88 -6.315 -11.214 1.674 1.00 0.00 C ATOM 1273 C ALA A 88 -5.692 -11.470 3.048 1.00 0.00 C ATOM 1274 O ALA A 88 -6.300 -11.174 4.075 1.00 0.00 O ATOM 1275 CB ALA A 88 -6.708 -9.748 1.477 1.00 0.00 C ATOM 0 H ALA A 88 -8.346 -11.673 1.912 1.00 0.00 H new ATOM 0 HA ALA A 88 -5.564 -11.455 0.921 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -5.828 -9.116 1.597 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -7.118 -9.613 0.476 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -7.458 -9.470 2.217 1.00 0.00 H new ATOM 1281 N VAL A 89 -4.486 -12.020 3.022 1.00 0.00 N ATOM 1282 CA VAL A 89 -3.774 -12.320 4.252 1.00 0.00 C ATOM 1283 C VAL A 89 -3.917 -11.143 5.219 1.00 0.00 C ATOM 1284 O VAL A 89 -3.859 -11.323 6.435 1.00 0.00 O ATOM 1285 CB VAL A 89 -2.316 -12.666 3.942 1.00 0.00 C ATOM 1286 CG1 VAL A 89 -2.155 -14.161 3.660 1.00 0.00 C ATOM 1287 CG2 VAL A 89 -1.790 -11.827 2.775 1.00 0.00 C ATOM 0 H VAL A 89 -3.985 -12.265 2.168 1.00 0.00 H new ATOM 0 HA VAL A 89 -4.205 -13.195 4.739 1.00 0.00 H new ATOM 0 HB VAL A 89 -1.720 -12.426 4.822 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.110 -14.380 3.443 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.471 -14.732 4.533 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.769 -14.438 2.803 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -0.752 -12.092 2.575 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.392 -12.021 1.887 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -1.851 -10.769 3.031 1.00 0.00 H new ATOM 1297 N GLY A 90 -4.099 -9.964 4.643 1.00 0.00 N ATOM 1298 CA GLY A 90 -4.251 -8.757 5.438 1.00 0.00 C ATOM 1299 C GLY A 90 -4.365 -7.521 4.544 1.00 0.00 C ATOM 1300 O GLY A 90 -4.391 -7.637 3.320 1.00 0.00 O ATOM 0 H GLY A 90 -4.145 -9.819 3.634 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -5.139 -8.840 6.065 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -3.398 -8.648 6.107 1.00 0.00 H new ATOM 1304 N GLU A 91 -4.431 -6.367 5.190 1.00 0.00 N ATOM 1305 CA GLU A 91 -4.542 -5.110 4.468 1.00 0.00 C ATOM 1306 C GLU A 91 -4.001 -3.960 5.320 1.00 0.00 C ATOM 1307 O GLU A 91 -3.706 -4.141 6.500 1.00 0.00 O ATOM 1308 CB GLU A 91 -5.989 -4.847 4.046 1.00 0.00 C ATOM 1309 CG GLU A 91 -6.814 -4.313 5.218 1.00 0.00 C ATOM 1310 CD GLU A 91 -7.028 -2.803 5.096 1.00 0.00 C ATOM 1311 OE1 GLU A 91 -7.218 -2.348 3.947 1.00 0.00 O ATOM 1312 OE2 GLU A 91 -6.995 -2.138 6.153 1.00 0.00 O ATOM 0 H GLU A 91 -4.410 -6.275 6.206 1.00 0.00 H new ATOM 0 HA GLU A 91 -3.941 -5.179 3.561 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -6.008 -4.129 3.227 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -6.436 -5.768 3.672 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -7.779 -4.819 5.248 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -6.307 -4.537 6.156 1.00 0.00 H new ATOM 1319 N ALA A 92 -3.888 -2.801 4.687 1.00 0.00 N ATOM 1320 CA ALA A 92 -3.389 -1.621 5.372 1.00 0.00 C ATOM 1321 C ALA A 92 -3.973 -0.369 4.714 1.00 0.00 C ATOM 1322 O ALA A 92 -4.289 -0.378 3.525 1.00 0.00 O ATOM 1323 CB ALA A 92 -1.859 -1.629 5.353 1.00 0.00 C ATOM 0 H ALA A 92 -4.133 -2.654 3.708 1.00 0.00 H new ATOM 0 HA ALA A 92 -3.703 -1.622 6.416 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -1.484 -0.744 5.867 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -1.494 -2.523 5.857 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -1.508 -1.625 4.321 1.00 0.00 H new ATOM 1329 N THR A 93 -4.100 0.678 5.516 1.00 0.00 N ATOM 1330 CA THR A 93 -4.641 1.935 5.027 1.00 0.00 C ATOM 1331 C THR A 93 -3.548 3.005 4.983 1.00 0.00 C ATOM 1332 O THR A 93 -3.053 3.435 6.024 1.00 0.00 O ATOM 1333 CB THR A 93 -5.828 2.315 5.914 1.00 0.00 C ATOM 1334 OG1 THR A 93 -6.825 1.348 5.593 1.00 0.00 O ATOM 1335 CG2 THR A 93 -6.459 3.649 5.507 1.00 0.00 C ATOM 0 H THR A 93 -3.837 0.682 6.502 1.00 0.00 H new ATOM 0 HA THR A 93 -5.000 1.840 4.002 1.00 0.00 H new ATOM 0 HB THR A 93 -5.502 2.369 6.953 1.00 0.00 H new ATOM 0 HG1 THR A 93 -7.630 1.519 6.125 1.00 0.00 H new ATOM 0 HG21 THR A 93 -7.297 3.872 6.168 1.00 0.00 H new ATOM 0 HG22 THR A 93 -5.715 4.442 5.584 1.00 0.00 H new ATOM 0 HG23 THR A 93 -6.815 3.584 4.479 1.00 0.00 H new ATOM 1343 N ILE A 94 -3.203 3.403 3.767 1.00 0.00 N ATOM 1344 CA ILE A 94 -2.178 4.415 3.574 1.00 0.00 C ATOM 1345 C ILE A 94 -2.834 5.715 3.105 1.00 0.00 C ATOM 1346 O ILE A 94 -3.175 5.855 1.932 1.00 0.00 O ATOM 1347 CB ILE A 94 -1.089 3.900 2.631 1.00 0.00 C ATOM 1348 CG1 ILE A 94 -0.451 2.621 3.176 1.00 0.00 C ATOM 1349 CG2 ILE A 94 -0.048 4.986 2.352 1.00 0.00 C ATOM 1350 CD1 ILE A 94 -0.497 1.499 2.137 1.00 0.00 C ATOM 0 H ILE A 94 -3.615 3.043 2.906 1.00 0.00 H new ATOM 0 HA ILE A 94 -1.675 4.633 4.516 1.00 0.00 H new ATOM 0 HB ILE A 94 -1.554 3.646 1.678 1.00 0.00 H new ATOM 0 HG12 ILE A 94 0.583 2.818 3.458 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -0.973 2.306 4.079 1.00 0.00 H new ATOM 0 HG21 ILE A 94 0.715 4.594 1.679 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -0.534 5.845 1.889 1.00 0.00 H new ATOM 0 HG23 ILE A 94 0.417 5.293 3.289 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -0.037 0.601 2.550 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -1.534 1.288 1.875 1.00 0.00 H new ATOM 0 HD13 ILE A 94 0.047 1.807 1.244 1.00 0.00 H new ATOM 1362 N PRO A 95 -2.994 6.659 4.071 1.00 0.00 N ATOM 1363 CA PRO A 95 -3.602 7.944 3.769 1.00 0.00 C ATOM 1364 C PRO A 95 -2.631 8.843 3.003 1.00 0.00 C ATOM 1365 O PRO A 95 -1.430 8.839 3.272 1.00 0.00 O ATOM 1366 CB PRO A 95 -4.003 8.516 5.119 1.00 0.00 C ATOM 1367 CG PRO A 95 -3.193 7.752 6.153 1.00 0.00 C ATOM 1368 CD PRO A 95 -2.602 6.529 5.472 1.00 0.00 C ATOM 0 HA PRO A 95 -4.470 7.856 3.115 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -3.792 9.584 5.169 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -5.072 8.394 5.293 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -2.402 8.382 6.560 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -3.825 7.455 6.990 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -1.518 6.502 5.579 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -2.989 5.608 5.908 1.00 0.00 H new ATOM 1376 N LEU A 96 -3.186 9.594 2.063 1.00 0.00 N ATOM 1377 CA LEU A 96 -2.383 10.498 1.256 1.00 0.00 C ATOM 1378 C LEU A 96 -2.533 11.923 1.792 1.00 0.00 C ATOM 1379 O LEU A 96 -2.083 12.878 1.161 1.00 0.00 O ATOM 1380 CB LEU A 96 -2.743 10.357 -0.224 1.00 0.00 C ATOM 1381 CG LEU A 96 -2.934 8.927 -0.735 1.00 0.00 C ATOM 1382 CD1 LEU A 96 -3.633 8.919 -2.096 1.00 0.00 C ATOM 1383 CD2 LEU A 96 -1.603 8.174 -0.770 1.00 0.00 C ATOM 0 H LEU A 96 -4.182 9.595 1.842 1.00 0.00 H new ATOM 0 HA LEU A 96 -1.327 10.239 1.330 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -3.662 10.913 -0.408 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -1.959 10.831 -0.815 1.00 0.00 H new ATOM 0 HG LEU A 96 -3.584 8.400 -0.037 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -3.756 7.891 -2.436 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -4.611 9.391 -2.005 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -3.030 9.470 -2.818 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -1.768 7.161 -1.137 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -0.909 8.692 -1.433 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -1.182 8.132 0.235 1.00 0.00 H new ATOM 1395 N GLU A 97 -3.168 12.022 2.951 1.00 0.00 N ATOM 1396 CA GLU A 97 -3.382 13.314 3.579 1.00 0.00 C ATOM 1397 C GLU A 97 -2.050 13.907 4.041 1.00 0.00 C ATOM 1398 O GLU A 97 -1.835 15.114 3.940 1.00 0.00 O ATOM 1399 CB GLU A 97 -4.366 13.201 4.745 1.00 0.00 C ATOM 1400 CG GLU A 97 -5.519 14.194 4.588 1.00 0.00 C ATOM 1401 CD GLU A 97 -6.369 14.254 5.859 1.00 0.00 C ATOM 1402 OE1 GLU A 97 -6.670 13.164 6.392 1.00 0.00 O ATOM 1403 OE2 GLU A 97 -6.697 15.388 6.270 1.00 0.00 O ATOM 0 H GLU A 97 -3.541 11.228 3.471 1.00 0.00 H new ATOM 0 HA GLU A 97 -3.820 13.986 2.841 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -4.760 12.186 4.796 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -3.845 13.388 5.684 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -5.123 15.184 4.364 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -6.142 13.902 3.743 1.00 0.00 H new ATOM 1410 N PRO A 98 -1.167 13.008 4.553 1.00 0.00 N ATOM 1411 CA PRO A 98 0.138 13.430 5.031 1.00 0.00 C ATOM 1412 C PRO A 98 1.077 13.740 3.863 1.00 0.00 C ATOM 1413 O PRO A 98 1.962 14.586 3.981 1.00 0.00 O ATOM 1414 CB PRO A 98 0.629 12.283 5.899 1.00 0.00 C ATOM 1415 CG PRO A 98 -0.204 11.075 5.503 1.00 0.00 C ATOM 1416 CD PRO A 98 -1.387 11.571 4.688 1.00 0.00 C ATOM 0 HA PRO A 98 0.096 14.356 5.604 1.00 0.00 H new ATOM 0 HB2 PRO A 98 1.690 12.096 5.736 1.00 0.00 H new ATOM 0 HB3 PRO A 98 0.505 12.513 6.957 1.00 0.00 H new ATOM 0 HG2 PRO A 98 0.394 10.374 4.921 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -0.548 10.541 6.389 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -1.429 11.084 3.714 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -2.331 11.360 5.191 1.00 0.00 H new ATOM 1424 N VAL A 99 0.852 13.037 2.763 1.00 0.00 N ATOM 1425 CA VAL A 99 1.666 13.226 1.574 1.00 0.00 C ATOM 1426 C VAL A 99 1.178 14.464 0.818 1.00 0.00 C ATOM 1427 O VAL A 99 1.961 15.136 0.150 1.00 0.00 O ATOM 1428 CB VAL A 99 1.647 11.957 0.719 1.00 0.00 C ATOM 1429 CG1 VAL A 99 0.496 11.993 -0.288 1.00 0.00 C ATOM 1430 CG2 VAL A 99 2.988 11.752 0.013 1.00 0.00 C ATOM 0 H VAL A 99 0.118 12.335 2.670 1.00 0.00 H new ATOM 0 HA VAL A 99 2.706 13.402 1.848 1.00 0.00 H new ATOM 0 HB VAL A 99 1.485 11.107 1.382 1.00 0.00 H new ATOM 0 HG11 VAL A 99 0.505 11.080 -0.883 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -0.452 12.070 0.245 1.00 0.00 H new ATOM 0 HG13 VAL A 99 0.614 12.855 -0.944 1.00 0.00 H new ATOM 0 HG21 VAL A 99 2.948 10.843 -0.588 1.00 0.00 H new ATOM 0 HG22 VAL A 99 3.193 12.606 -0.633 1.00 0.00 H new ATOM 0 HG23 VAL A 99 3.780 11.661 0.756 1.00 0.00 H new ATOM 1440 N PHE A 100 -0.114 14.727 0.950 1.00 0.00 N ATOM 1441 CA PHE A 100 -0.716 15.872 0.288 1.00 0.00 C ATOM 1442 C PHE A 100 -0.382 17.170 1.026 1.00 0.00 C ATOM 1443 O PHE A 100 -0.484 18.255 0.456 1.00 0.00 O ATOM 1444 CB PHE A 100 -2.230 15.659 0.315 1.00 0.00 C ATOM 1445 CG PHE A 100 -2.746 14.716 -0.774 1.00 0.00 C ATOM 1446 CD1 PHE A 100 -2.232 14.784 -2.032 1.00 0.00 C ATOM 1447 CD2 PHE A 100 -3.718 13.809 -0.485 1.00 0.00 C ATOM 1448 CE1 PHE A 100 -2.710 13.909 -3.042 1.00 0.00 C ATOM 1449 CE2 PHE A 100 -4.196 12.934 -1.496 1.00 0.00 C ATOM 1450 CZ PHE A 100 -3.682 13.002 -2.753 1.00 0.00 C ATOM 0 H PHE A 100 -0.761 14.167 1.506 1.00 0.00 H new ATOM 0 HA PHE A 100 -0.335 15.956 -0.730 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -2.513 15.261 1.290 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -2.724 16.625 0.209 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -1.460 15.504 -2.262 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -4.126 13.755 0.513 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -2.302 13.963 -4.040 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -4.968 12.214 -1.267 1.00 0.00 H new ATOM 0 HZ PHE A 100 -4.045 12.336 -3.522 1.00 0.00 H new ATOM 1460 N VAL A 101 0.011 17.015 2.282 1.00 0.00 N ATOM 1461 CA VAL A 101 0.360 18.161 3.103 1.00 0.00 C ATOM 1462 C VAL A 101 1.878 18.355 3.082 1.00 0.00 C ATOM 1463 O VAL A 101 2.362 19.479 2.955 1.00 0.00 O ATOM 1464 CB VAL A 101 -0.200 17.983 4.516 1.00 0.00 C ATOM 1465 CG1 VAL A 101 0.446 18.970 5.490 1.00 0.00 C ATOM 1466 CG2 VAL A 101 -1.724 18.123 4.523 1.00 0.00 C ATOM 0 H VAL A 101 0.095 16.113 2.751 1.00 0.00 H new ATOM 0 HA VAL A 101 -0.090 19.069 2.701 1.00 0.00 H new ATOM 0 HB VAL A 101 0.045 16.975 4.849 1.00 0.00 H new ATOM 0 HG11 VAL A 101 0.030 18.822 6.487 1.00 0.00 H new ATOM 0 HG12 VAL A 101 1.523 18.802 5.517 1.00 0.00 H new ATOM 0 HG13 VAL A 101 0.246 19.990 5.161 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -2.097 17.992 5.539 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -2.000 19.113 4.160 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -2.162 17.364 3.875 1.00 0.00 H new ATOM 1476 N GLU A 102 2.586 17.242 3.208 1.00 0.00 N ATOM 1477 CA GLU A 102 4.038 17.276 3.205 1.00 0.00 C ATOM 1478 C GLU A 102 4.566 17.285 1.768 1.00 0.00 C ATOM 1479 O GLU A 102 5.504 18.016 1.453 1.00 0.00 O ATOM 1480 CB GLU A 102 4.615 16.098 3.993 1.00 0.00 C ATOM 1481 CG GLU A 102 4.032 16.046 5.406 1.00 0.00 C ATOM 1482 CD GLU A 102 5.144 16.009 6.457 1.00 0.00 C ATOM 1483 OE1 GLU A 102 5.604 17.108 6.835 1.00 0.00 O ATOM 1484 OE2 GLU A 102 5.508 14.882 6.858 1.00 0.00 O ATOM 0 H GLU A 102 2.181 16.312 3.313 1.00 0.00 H new ATOM 0 HA GLU A 102 4.362 18.194 3.696 1.00 0.00 H new ATOM 0 HB2 GLU A 102 4.398 15.166 3.472 1.00 0.00 H new ATOM 0 HB3 GLU A 102 5.700 16.188 4.046 1.00 0.00 H new ATOM 0 HG2 GLU A 102 3.397 16.916 5.574 1.00 0.00 H new ATOM 0 HG3 GLU A 102 3.399 15.165 5.510 1.00 0.00 H new ATOM 1491 N GLY A 103 3.940 16.466 0.936 1.00 0.00 N ATOM 1492 CA GLY A 103 4.335 16.371 -0.459 1.00 0.00 C ATOM 1493 C GLY A 103 5.262 15.176 -0.686 1.00 0.00 C ATOM 1494 O GLY A 103 5.569 14.832 -1.827 1.00 0.00 O ATOM 0 H GLY A 103 3.162 15.862 1.201 1.00 0.00 H new ATOM 0 HA2 GLY A 103 3.449 16.272 -1.086 1.00 0.00 H new ATOM 0 HA3 GLY A 103 4.839 17.289 -0.761 1.00 0.00 H new ATOM 1498 N SER A 104 5.684 14.577 0.417 1.00 0.00 N ATOM 1499 CA SER A 104 6.570 13.427 0.353 1.00 0.00 C ATOM 1500 C SER A 104 6.604 12.715 1.707 1.00 0.00 C ATOM 1501 O SER A 104 6.908 13.330 2.728 1.00 0.00 O ATOM 1502 CB SER A 104 7.983 13.844 -0.063 1.00 0.00 C ATOM 1503 OG SER A 104 8.519 14.845 0.797 1.00 0.00 O ATOM 0 H SER A 104 5.429 14.866 1.361 1.00 0.00 H new ATOM 0 HA SER A 104 6.185 12.740 -0.401 1.00 0.00 H new ATOM 0 HB2 SER A 104 8.636 12.971 -0.054 1.00 0.00 H new ATOM 0 HB3 SER A 104 7.964 14.218 -1.087 1.00 0.00 H new ATOM 0 HG SER A 104 8.137 14.744 1.694 1.00 0.00 H new ATOM 1509 N ILE A 105 6.287 11.429 1.671 1.00 0.00 N ATOM 1510 CA ILE A 105 6.277 10.627 2.883 1.00 0.00 C ATOM 1511 C ILE A 105 7.247 9.455 2.721 1.00 0.00 C ATOM 1512 O ILE A 105 7.257 8.792 1.685 1.00 0.00 O ATOM 1513 CB ILE A 105 4.850 10.201 3.231 1.00 0.00 C ATOM 1514 CG1 ILE A 105 3.934 11.419 3.374 1.00 0.00 C ATOM 1515 CG2 ILE A 105 4.831 9.320 4.482 1.00 0.00 C ATOM 1516 CD1 ILE A 105 4.411 12.334 4.503 1.00 0.00 C ATOM 0 H ILE A 105 6.035 10.923 0.822 1.00 0.00 H new ATOM 0 HA ILE A 105 6.625 11.215 3.732 1.00 0.00 H new ATOM 0 HB ILE A 105 4.462 9.601 2.408 1.00 0.00 H new ATOM 0 HG12 ILE A 105 3.912 11.974 2.436 1.00 0.00 H new ATOM 0 HG13 ILE A 105 2.914 11.090 3.574 1.00 0.00 H new ATOM 0 HG21 ILE A 105 3.805 9.031 4.708 1.00 0.00 H new ATOM 0 HG22 ILE A 105 5.430 8.426 4.307 1.00 0.00 H new ATOM 0 HG23 ILE A 105 5.245 9.875 5.324 1.00 0.00 H new ATOM 0 HD11 ILE A 105 3.743 13.191 4.583 1.00 0.00 H new ATOM 0 HD12 ILE A 105 4.409 11.783 5.443 1.00 0.00 H new ATOM 0 HD13 ILE A 105 5.422 12.681 4.288 1.00 0.00 H new ATOM 1528 N PRO A 106 8.059 9.229 3.788 1.00 0.00 N ATOM 1529 CA PRO A 106 9.030 8.148 3.774 1.00 0.00 C ATOM 1530 C PRO A 106 8.345 6.793 3.966 1.00 0.00 C ATOM 1531 O PRO A 106 7.145 6.732 4.232 1.00 0.00 O ATOM 1532 CB PRO A 106 10.006 8.482 4.890 1.00 0.00 C ATOM 1533 CG PRO A 106 9.291 9.482 5.785 1.00 0.00 C ATOM 1534 CD PRO A 106 8.074 9.994 5.031 1.00 0.00 C ATOM 0 HA PRO A 106 9.550 8.062 2.820 1.00 0.00 H new ATOM 0 HB2 PRO A 106 10.283 7.587 5.448 1.00 0.00 H new ATOM 0 HB3 PRO A 106 10.927 8.905 4.489 1.00 0.00 H new ATOM 0 HG2 PRO A 106 8.990 9.010 6.720 1.00 0.00 H new ATOM 0 HG3 PRO A 106 9.955 10.307 6.043 1.00 0.00 H new ATOM 0 HD2 PRO A 106 7.159 9.838 5.603 1.00 0.00 H new ATOM 0 HD3 PRO A 106 8.150 11.064 4.837 1.00 0.00 H new ATOM 1542 N PRO A 107 9.157 5.713 3.818 1.00 0.00 N ATOM 1543 CA PRO A 107 8.642 4.363 3.971 1.00 0.00 C ATOM 1544 C PRO A 107 8.409 4.029 5.446 1.00 0.00 C ATOM 1545 O PRO A 107 9.354 3.743 6.179 1.00 0.00 O ATOM 1546 CB PRO A 107 9.682 3.468 3.317 1.00 0.00 C ATOM 1547 CG PRO A 107 10.953 4.298 3.236 1.00 0.00 C ATOM 1548 CD PRO A 107 10.582 5.747 3.502 1.00 0.00 C ATOM 0 HA PRO A 107 7.668 4.229 3.500 1.00 0.00 H new ATOM 0 HB2 PRO A 107 9.843 2.563 3.903 1.00 0.00 H new ATOM 0 HB3 PRO A 107 9.358 3.152 2.325 1.00 0.00 H new ATOM 0 HG2 PRO A 107 11.683 3.951 3.967 1.00 0.00 H new ATOM 0 HG3 PRO A 107 11.413 4.196 2.253 1.00 0.00 H new ATOM 0 HD2 PRO A 107 11.161 6.159 4.329 1.00 0.00 H new ATOM 0 HD3 PRO A 107 10.780 6.373 2.632 1.00 0.00 H new ATOM 1556 N THR A 108 7.144 4.078 5.838 1.00 0.00 N ATOM 1557 CA THR A 108 6.774 3.784 7.212 1.00 0.00 C ATOM 1558 C THR A 108 5.965 2.487 7.282 1.00 0.00 C ATOM 1559 O THR A 108 5.228 2.161 6.353 1.00 0.00 O ATOM 1560 CB THR A 108 6.027 4.997 7.770 1.00 0.00 C ATOM 1561 OG1 THR A 108 6.970 5.615 8.641 1.00 0.00 O ATOM 1562 CG2 THR A 108 4.872 4.600 8.692 1.00 0.00 C ATOM 0 H THR A 108 6.362 4.317 5.228 1.00 0.00 H new ATOM 0 HA THR A 108 7.655 3.613 7.831 1.00 0.00 H new ATOM 0 HB THR A 108 5.643 5.598 6.945 1.00 0.00 H new ATOM 0 HG1 THR A 108 6.568 6.412 9.045 1.00 0.00 H new ATOM 0 HG21 THR A 108 4.376 5.498 9.060 1.00 0.00 H new ATOM 0 HG22 THR A 108 4.157 3.991 8.138 1.00 0.00 H new ATOM 0 HG23 THR A 108 5.259 4.028 9.535 1.00 0.00 H new ATOM 1570 N ALA A 109 6.131 1.783 8.392 1.00 0.00 N ATOM 1571 CA ALA A 109 5.425 0.529 8.595 1.00 0.00 C ATOM 1572 C ALA A 109 3.979 0.822 9.000 1.00 0.00 C ATOM 1573 O ALA A 109 3.713 1.181 10.146 1.00 0.00 O ATOM 1574 CB ALA A 109 6.165 -0.310 9.638 1.00 0.00 C ATOM 0 H ALA A 109 6.744 2.057 9.160 1.00 0.00 H new ATOM 0 HA ALA A 109 5.397 -0.050 7.672 1.00 0.00 H new ATOM 0 HB1 ALA A 109 5.636 -1.251 9.790 1.00 0.00 H new ATOM 0 HB2 ALA A 109 7.177 -0.516 9.288 1.00 0.00 H new ATOM 0 HB3 ALA A 109 6.211 0.237 10.579 1.00 0.00 H new ATOM 1580 N TYR A 110 3.084 0.659 8.037 1.00 0.00 N ATOM 1581 CA TYR A 110 1.672 0.902 8.280 1.00 0.00 C ATOM 1582 C TYR A 110 0.999 -0.333 8.882 1.00 0.00 C ATOM 1583 O TYR A 110 1.182 -1.446 8.390 1.00 0.00 O ATOM 1584 CB TYR A 110 1.052 1.190 6.911 1.00 0.00 C ATOM 1585 CG TYR A 110 1.520 2.502 6.279 1.00 0.00 C ATOM 1586 CD1 TYR A 110 1.128 3.708 6.824 1.00 0.00 C ATOM 1587 CD2 TYR A 110 2.334 2.480 5.165 1.00 0.00 C ATOM 1588 CE1 TYR A 110 1.569 4.943 6.229 1.00 0.00 C ATOM 1589 CE2 TYR A 110 2.775 3.715 4.570 1.00 0.00 C ATOM 1590 CZ TYR A 110 2.370 4.886 5.132 1.00 0.00 C ATOM 1591 OH TYR A 110 2.787 6.053 4.570 1.00 0.00 O ATOM 0 H TYR A 110 3.309 0.362 7.088 1.00 0.00 H new ATOM 0 HA TYR A 110 1.539 1.726 8.981 1.00 0.00 H new ATOM 0 HB2 TYR A 110 1.290 0.368 6.236 1.00 0.00 H new ATOM 0 HB3 TYR A 110 -0.033 1.215 7.013 1.00 0.00 H new ATOM 0 HD1 TYR A 110 0.491 3.725 7.696 1.00 0.00 H new ATOM 0 HD2 TYR A 110 2.641 1.536 4.739 1.00 0.00 H new ATOM 0 HE1 TYR A 110 1.270 5.894 6.645 1.00 0.00 H new ATOM 0 HE2 TYR A 110 3.412 3.712 3.698 1.00 0.00 H new ATOM 0 HH TYR A 110 3.354 5.858 3.795 1.00 0.00 H new ATOM 1601 N ASN A 111 0.233 -0.095 9.937 1.00 0.00 N ATOM 1602 CA ASN A 111 -0.468 -1.175 10.611 1.00 0.00 C ATOM 1603 C ASN A 111 -1.224 -2.011 9.576 1.00 0.00 C ATOM 1604 O ASN A 111 -2.036 -1.482 8.818 1.00 0.00 O ATOM 1605 CB ASN A 111 -1.487 -0.628 11.612 1.00 0.00 C ATOM 1606 CG ASN A 111 -0.881 0.498 12.452 1.00 0.00 C ATOM 1607 OD1 ASN A 111 0.189 1.011 12.170 1.00 0.00 O ATOM 1608 ND2 ASN A 111 -1.624 0.853 13.497 1.00 0.00 N ATOM 0 H ASN A 111 0.083 0.829 10.341 1.00 0.00 H new ATOM 0 HA ASN A 111 0.270 -1.778 11.140 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -2.363 -0.258 11.079 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -1.827 -1.431 12.266 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -1.307 1.596 14.119 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -2.511 0.382 13.676 1.00 0.00 H new ATOM 1615 N VAL A 112 -0.930 -3.303 9.577 1.00 0.00 N ATOM 1616 CA VAL A 112 -1.571 -4.217 8.648 1.00 0.00 C ATOM 1617 C VAL A 112 -2.576 -5.086 9.406 1.00 0.00 C ATOM 1618 O VAL A 112 -2.190 -5.917 10.226 1.00 0.00 O ATOM 1619 CB VAL A 112 -0.513 -5.036 7.906 1.00 0.00 C ATOM 1620 CG1 VAL A 112 -1.150 -6.220 7.175 1.00 0.00 C ATOM 1621 CG2 VAL A 112 0.281 -4.157 6.937 1.00 0.00 C ATOM 0 H VAL A 112 -0.256 -3.738 10.207 1.00 0.00 H new ATOM 0 HA VAL A 112 -2.126 -3.664 7.890 1.00 0.00 H new ATOM 0 HB VAL A 112 0.183 -5.433 8.645 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -0.377 -6.786 6.656 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -1.650 -6.866 7.896 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -1.878 -5.852 6.452 1.00 0.00 H new ATOM 0 HG21 VAL A 112 1.026 -4.764 6.423 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -0.397 -3.718 6.205 1.00 0.00 H new ATOM 0 HG23 VAL A 112 0.780 -3.363 7.492 1.00 0.00 H new ATOM 1631 N VAL A 113 -3.848 -4.864 9.106 1.00 0.00 N ATOM 1632 CA VAL A 113 -4.911 -5.616 9.749 1.00 0.00 C ATOM 1633 C VAL A 113 -5.578 -6.530 8.719 1.00 0.00 C ATOM 1634 O VAL A 113 -5.346 -6.393 7.519 1.00 0.00 O ATOM 1635 CB VAL A 113 -5.895 -4.659 10.424 1.00 0.00 C ATOM 1636 CG1 VAL A 113 -5.593 -4.527 11.918 1.00 0.00 C ATOM 1637 CG2 VAL A 113 -5.886 -3.291 9.740 1.00 0.00 C ATOM 0 H VAL A 113 -4.166 -4.174 8.426 1.00 0.00 H new ATOM 0 HA VAL A 113 -4.506 -6.253 10.536 1.00 0.00 H new ATOM 0 HB VAL A 113 -6.896 -5.079 10.320 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -6.307 -3.841 12.374 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -5.674 -5.505 12.393 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -4.582 -4.141 12.052 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -6.594 -2.630 10.239 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -4.886 -2.862 9.798 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -6.172 -3.405 8.694 1.00 0.00 H new ATOM 1647 N LYS A 114 -6.394 -7.443 9.225 1.00 0.00 N ATOM 1648 CA LYS A 114 -7.097 -8.379 8.364 1.00 0.00 C ATOM 1649 C LYS A 114 -8.497 -8.630 8.926 1.00 0.00 C ATOM 1650 O LYS A 114 -8.691 -9.532 9.740 1.00 0.00 O ATOM 1651 CB LYS A 114 -6.273 -9.654 8.174 1.00 0.00 C ATOM 1652 CG LYS A 114 -6.854 -10.522 7.056 1.00 0.00 C ATOM 1653 CD LYS A 114 -7.868 -11.524 7.611 1.00 0.00 C ATOM 1654 CE LYS A 114 -7.226 -12.427 8.666 1.00 0.00 C ATOM 1655 NZ LYS A 114 -7.785 -13.795 8.587 1.00 0.00 N ATOM 0 H LYS A 114 -6.584 -7.555 10.221 1.00 0.00 H new ATOM 0 HA LYS A 114 -7.225 -7.957 7.367 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -5.242 -9.393 7.937 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -6.253 -10.220 9.105 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -7.334 -9.888 6.311 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -6.050 -11.056 6.550 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -8.711 -10.989 8.049 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -8.265 -12.133 6.799 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -6.147 -12.460 8.517 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -7.398 -12.014 9.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -7.338 -14.395 9.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -8.811 -13.761 8.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -7.599 -14.192 7.644 1.00 0.00 H new ATOM 1669 N ASP A 115 -9.438 -7.817 8.469 1.00 0.00 N ATOM 1670 CA ASP A 115 -10.815 -7.939 8.916 1.00 0.00 C ATOM 1671 C ASP A 115 -10.985 -7.194 10.242 1.00 0.00 C ATOM 1672 O ASP A 115 -12.096 -6.810 10.605 1.00 0.00 O ATOM 1673 CB ASP A 115 -11.191 -9.404 9.146 1.00 0.00 C ATOM 1674 CG ASP A 115 -12.685 -9.715 9.027 1.00 0.00 C ATOM 1675 OD1 ASP A 115 -13.416 -8.814 8.562 1.00 0.00 O ATOM 1676 OD2 ASP A 115 -13.061 -10.845 9.405 1.00 0.00 O ATOM 0 H ASP A 115 -9.274 -7.071 7.793 1.00 0.00 H new ATOM 0 HA ASP A 115 -11.459 -7.518 8.144 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -10.649 -10.020 8.428 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -10.852 -9.699 10.139 1.00 0.00 H new ATOM 1681 N GLU A 116 -9.866 -7.010 10.928 1.00 0.00 N ATOM 1682 CA GLU A 116 -9.877 -6.318 12.205 1.00 0.00 C ATOM 1683 C GLU A 116 -8.678 -6.748 13.053 1.00 0.00 C ATOM 1684 O GLU A 116 -8.282 -6.041 13.978 1.00 0.00 O ATOM 1685 CB GLU A 116 -11.191 -6.562 12.950 1.00 0.00 C ATOM 1686 CG GLU A 116 -11.616 -8.028 12.845 1.00 0.00 C ATOM 1687 CD GLU A 116 -11.763 -8.657 14.232 1.00 0.00 C ATOM 1688 OE1 GLU A 116 -10.828 -8.473 15.041 1.00 0.00 O ATOM 1689 OE2 GLU A 116 -12.808 -9.308 14.453 1.00 0.00 O ATOM 0 H GLU A 116 -8.946 -7.328 10.623 1.00 0.00 H new ATOM 0 HA GLU A 116 -9.798 -5.247 12.016 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -11.075 -6.287 13.998 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -11.971 -5.923 12.537 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -12.562 -8.099 12.308 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -10.878 -8.584 12.266 1.00 0.00 H new ATOM 1696 N GLU A 117 -8.134 -7.905 12.706 1.00 0.00 N ATOM 1697 CA GLU A 117 -6.988 -8.437 13.423 1.00 0.00 C ATOM 1698 C GLU A 117 -5.692 -7.841 12.870 1.00 0.00 C ATOM 1699 O GLU A 117 -5.527 -7.722 11.657 1.00 0.00 O ATOM 1700 CB GLU A 117 -6.961 -9.965 13.356 1.00 0.00 C ATOM 1701 CG GLU A 117 -7.873 -10.577 14.422 1.00 0.00 C ATOM 1702 CD GLU A 117 -8.801 -11.628 13.811 1.00 0.00 C ATOM 1703 OE1 GLU A 117 -9.821 -11.210 13.221 1.00 0.00 O ATOM 1704 OE2 GLU A 117 -8.471 -12.826 13.949 1.00 0.00 O ATOM 0 H GLU A 117 -8.466 -8.489 11.938 1.00 0.00 H new ATOM 0 HA GLU A 117 -7.077 -8.153 14.472 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -7.279 -10.295 12.367 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -5.940 -10.321 13.498 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -7.268 -11.033 15.206 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -8.466 -9.793 14.893 1.00 0.00 H new ATOM 1711 N TYR A 118 -4.804 -7.483 13.786 1.00 0.00 N ATOM 1712 CA TYR A 118 -3.528 -6.902 13.405 1.00 0.00 C ATOM 1713 C TYR A 118 -2.554 -7.982 12.930 1.00 0.00 C ATOM 1714 O TYR A 118 -2.057 -8.771 13.732 1.00 0.00 O ATOM 1715 CB TYR A 118 -2.968 -6.248 14.670 1.00 0.00 C ATOM 1716 CG TYR A 118 -1.686 -5.445 14.440 1.00 0.00 C ATOM 1717 CD1 TYR A 118 -1.675 -4.412 13.524 1.00 0.00 C ATOM 1718 CD2 TYR A 118 -0.542 -5.752 15.147 1.00 0.00 C ATOM 1719 CE1 TYR A 118 -0.469 -3.655 13.307 1.00 0.00 C ATOM 1720 CE2 TYR A 118 0.664 -4.996 14.930 1.00 0.00 C ATOM 1721 CZ TYR A 118 0.641 -3.985 14.021 1.00 0.00 C ATOM 1722 OH TYR A 118 1.780 -3.270 13.817 1.00 0.00 O ATOM 0 H TYR A 118 -4.943 -7.584 14.791 1.00 0.00 H new ATOM 0 HA TYR A 118 -3.658 -6.191 12.589 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -3.727 -5.589 15.092 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -2.771 -7.023 15.411 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -2.571 -4.172 12.970 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -0.551 -6.560 15.864 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -0.446 -2.844 12.594 1.00 0.00 H new ATOM 0 HE2 TYR A 118 1.566 -5.227 15.477 1.00 0.00 H new ATOM 0 HH TYR A 118 2.076 -3.383 12.890 1.00 0.00 H new ATOM 1732 N LYS A 119 -2.312 -7.984 11.627 1.00 0.00 N ATOM 1733 CA LYS A 119 -1.407 -8.954 11.035 1.00 0.00 C ATOM 1734 C LYS A 119 0.038 -8.534 11.314 1.00 0.00 C ATOM 1735 O LYS A 119 0.870 -9.364 11.677 1.00 0.00 O ATOM 1736 CB LYS A 119 -1.717 -9.139 9.549 1.00 0.00 C ATOM 1737 CG LYS A 119 -3.143 -9.655 9.346 1.00 0.00 C ATOM 1738 CD LYS A 119 -3.360 -10.974 10.091 1.00 0.00 C ATOM 1739 CE LYS A 119 -4.239 -10.768 11.326 1.00 0.00 C ATOM 1740 NZ LYS A 119 -4.389 -12.037 12.073 1.00 0.00 N ATOM 0 H LYS A 119 -2.727 -7.329 10.965 1.00 0.00 H new ATOM 0 HA LYS A 119 -1.548 -9.934 11.491 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -1.592 -8.190 9.027 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -1.007 -9.840 9.110 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -3.857 -8.911 9.701 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -3.334 -9.798 8.282 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -3.827 -11.699 9.425 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -2.398 -11.389 10.390 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -3.797 -10.009 11.972 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -5.219 -10.399 11.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -5.363 -12.118 12.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -4.182 -12.838 11.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -3.727 -12.048 12.875 1.00 0.00 H new ATOM 1754 N GLY A 120 0.291 -7.246 11.135 1.00 0.00 N ATOM 1755 CA GLY A 120 1.620 -6.706 11.363 1.00 0.00 C ATOM 1756 C GLY A 120 1.713 -5.256 10.883 1.00 0.00 C ATOM 1757 O GLY A 120 0.934 -4.406 11.311 1.00 0.00 O ATOM 0 H GLY A 120 -0.402 -6.561 10.835 1.00 0.00 H new ATOM 0 HA2 GLY A 120 1.860 -6.757 12.425 1.00 0.00 H new ATOM 0 HA3 GLY A 120 2.358 -7.314 10.840 1.00 0.00 H new ATOM 1761 N GLU A 121 2.672 -5.019 10.000 1.00 0.00 N ATOM 1762 CA GLU A 121 2.877 -3.686 9.458 1.00 0.00 C ATOM 1763 C GLU A 121 3.439 -3.772 8.037 1.00 0.00 C ATOM 1764 O GLU A 121 4.197 -4.688 7.720 1.00 0.00 O ATOM 1765 CB GLU A 121 3.794 -2.861 10.362 1.00 0.00 C ATOM 1766 CG GLU A 121 5.076 -3.629 10.690 1.00 0.00 C ATOM 1767 CD GLU A 121 5.747 -3.065 11.944 1.00 0.00 C ATOM 1768 OE1 GLU A 121 5.401 -3.553 13.041 1.00 0.00 O ATOM 1769 OE2 GLU A 121 6.591 -2.158 11.777 1.00 0.00 O ATOM 0 H GLU A 121 3.315 -5.727 9.646 1.00 0.00 H new ATOM 0 HA GLU A 121 1.913 -3.179 9.416 1.00 0.00 H new ATOM 0 HB2 GLU A 121 4.045 -1.921 9.871 1.00 0.00 H new ATOM 0 HB3 GLU A 121 3.271 -2.609 11.284 1.00 0.00 H new ATOM 0 HG2 GLU A 121 4.844 -4.683 10.840 1.00 0.00 H new ATOM 0 HG3 GLU A 121 5.765 -3.571 9.847 1.00 0.00 H new ATOM 1776 N ILE A 122 3.047 -2.806 7.220 1.00 0.00 N ATOM 1777 CA ILE A 122 3.503 -2.761 5.841 1.00 0.00 C ATOM 1778 C ILE A 122 4.284 -1.466 5.609 1.00 0.00 C ATOM 1779 O ILE A 122 3.755 -0.373 5.810 1.00 0.00 O ATOM 1780 CB ILE A 122 2.327 -2.950 4.882 1.00 0.00 C ATOM 1781 CG1 ILE A 122 2.814 -3.086 3.437 1.00 0.00 C ATOM 1782 CG2 ILE A 122 1.304 -1.824 5.039 1.00 0.00 C ATOM 1783 CD1 ILE A 122 1.637 -3.084 2.460 1.00 0.00 C ATOM 0 H ILE A 122 2.419 -2.048 7.486 1.00 0.00 H new ATOM 0 HA ILE A 122 4.186 -3.586 5.638 1.00 0.00 H new ATOM 0 HB ILE A 122 1.822 -3.881 5.140 1.00 0.00 H new ATOM 0 HG12 ILE A 122 3.491 -2.265 3.199 1.00 0.00 H new ATOM 0 HG13 ILE A 122 3.382 -4.010 3.326 1.00 0.00 H new ATOM 0 HG21 ILE A 122 0.478 -1.983 4.345 1.00 0.00 H new ATOM 0 HG22 ILE A 122 0.924 -1.818 6.060 1.00 0.00 H new ATOM 0 HG23 ILE A 122 1.780 -0.867 4.823 1.00 0.00 H new ATOM 0 HD11 ILE A 122 2.010 -3.182 1.441 1.00 0.00 H new ATOM 0 HD12 ILE A 122 0.975 -3.920 2.686 1.00 0.00 H new ATOM 0 HD13 ILE A 122 1.086 -2.149 2.556 1.00 0.00 H new ATOM 1795 N TRP A 123 5.530 -1.630 5.189 1.00 0.00 N ATOM 1796 CA TRP A 123 6.388 -0.488 4.927 1.00 0.00 C ATOM 1797 C TRP A 123 6.094 0.010 3.511 1.00 0.00 C ATOM 1798 O TRP A 123 6.216 -0.744 2.546 1.00 0.00 O ATOM 1799 CB TRP A 123 7.860 -0.848 5.140 1.00 0.00 C ATOM 1800 CG TRP A 123 8.255 -1.006 6.610 1.00 0.00 C ATOM 1801 CD1 TRP A 123 7.896 -1.977 7.461 1.00 0.00 C ATOM 1802 CD2 TRP A 123 9.105 -0.123 7.372 1.00 0.00 C ATOM 1803 NE1 TRP A 123 8.450 -1.786 8.710 1.00 0.00 N ATOM 1804 CE2 TRP A 123 9.209 -0.622 8.654 1.00 0.00 C ATOM 1805 CE3 TRP A 123 9.765 1.059 6.990 1.00 0.00 C ATOM 1806 CZ2 TRP A 123 9.964 -0.005 9.658 1.00 0.00 C ATOM 1807 CZ3 TRP A 123 10.515 1.664 8.005 1.00 0.00 C ATOM 1808 CH2 TRP A 123 10.630 1.174 9.301 1.00 0.00 C ATOM 0 H TRP A 123 5.966 -2.537 5.024 1.00 0.00 H new ATOM 0 HA TRP A 123 6.181 0.319 5.630 1.00 0.00 H new ATOM 0 HB2 TRP A 123 8.076 -1.778 4.614 1.00 0.00 H new ATOM 0 HB3 TRP A 123 8.482 -0.075 4.688 1.00 0.00 H new ATOM 0 HD1 TRP A 123 7.253 -2.805 7.202 1.00 0.00 H new ATOM 0 HE1 TRP A 123 8.326 -2.388 9.524 1.00 0.00 H new ATOM 0 HE3 TRP A 123 9.698 1.467 5.992 1.00 0.00 H new ATOM 0 HZ2 TRP A 123 10.029 -0.416 10.655 1.00 0.00 H new ATOM 0 HZ3 TRP A 123 11.042 2.576 7.765 1.00 0.00 H new ATOM 0 HH2 TRP A 123 11.230 1.700 10.029 1.00 0.00 H new ATOM 1819 N VAL A 124 5.712 1.276 3.430 1.00 0.00 N ATOM 1820 CA VAL A 124 5.399 1.883 2.148 1.00 0.00 C ATOM 1821 C VAL A 124 5.686 3.385 2.215 1.00 0.00 C ATOM 1822 O VAL A 124 5.552 3.999 3.273 1.00 0.00 O ATOM 1823 CB VAL A 124 3.954 1.568 1.758 1.00 0.00 C ATOM 1824 CG1 VAL A 124 3.683 1.951 0.302 1.00 0.00 C ATOM 1825 CG2 VAL A 124 3.627 0.095 2.008 1.00 0.00 C ATOM 0 H VAL A 124 5.612 1.898 4.232 1.00 0.00 H new ATOM 0 HA VAL A 124 6.031 1.466 1.364 1.00 0.00 H new ATOM 0 HB VAL A 124 3.298 2.168 2.389 1.00 0.00 H new ATOM 0 HG11 VAL A 124 2.649 1.717 0.051 1.00 0.00 H new ATOM 0 HG12 VAL A 124 3.856 3.019 0.168 1.00 0.00 H new ATOM 0 HG13 VAL A 124 4.351 1.391 -0.352 1.00 0.00 H new ATOM 0 HG21 VAL A 124 2.594 -0.102 1.722 1.00 0.00 H new ATOM 0 HG22 VAL A 124 4.293 -0.531 1.415 1.00 0.00 H new ATOM 0 HG23 VAL A 124 3.761 -0.133 3.065 1.00 0.00 H new ATOM 1835 N ALA A 125 6.077 3.932 1.074 1.00 0.00 N ATOM 1836 CA ALA A 125 6.384 5.350 0.990 1.00 0.00 C ATOM 1837 C ALA A 125 5.423 6.019 0.005 1.00 0.00 C ATOM 1838 O ALA A 125 4.964 5.387 -0.945 1.00 0.00 O ATOM 1839 CB ALA A 125 7.849 5.532 0.591 1.00 0.00 C ATOM 0 H ALA A 125 6.188 3.419 0.199 1.00 0.00 H new ATOM 0 HA ALA A 125 6.248 5.830 1.959 1.00 0.00 H new ATOM 0 HB1 ALA A 125 8.079 6.595 0.528 1.00 0.00 H new ATOM 0 HB2 ALA A 125 8.490 5.065 1.339 1.00 0.00 H new ATOM 0 HB3 ALA A 125 8.023 5.065 -0.378 1.00 0.00 H new ATOM 1845 N LEU A 126 5.148 7.288 0.265 1.00 0.00 N ATOM 1846 CA LEU A 126 4.250 8.049 -0.587 1.00 0.00 C ATOM 1847 C LEU A 126 4.928 9.359 -0.994 1.00 0.00 C ATOM 1848 O LEU A 126 5.709 9.922 -0.228 1.00 0.00 O ATOM 1849 CB LEU A 126 2.897 8.245 0.100 1.00 0.00 C ATOM 1850 CG LEU A 126 2.262 6.990 0.702 1.00 0.00 C ATOM 1851 CD1 LEU A 126 1.383 7.342 1.904 1.00 0.00 C ATOM 1852 CD2 LEU A 126 1.492 6.202 -0.360 1.00 0.00 C ATOM 0 H LEU A 126 5.531 7.809 1.054 1.00 0.00 H new ATOM 0 HA LEU A 126 4.039 7.500 -1.505 1.00 0.00 H new ATOM 0 HB2 LEU A 126 3.018 8.983 0.893 1.00 0.00 H new ATOM 0 HB3 LEU A 126 2.202 8.668 -0.625 1.00 0.00 H new ATOM 0 HG LEU A 126 3.061 6.344 1.066 1.00 0.00 H new ATOM 0 HD11 LEU A 126 0.944 6.432 2.313 1.00 0.00 H new ATOM 0 HD12 LEU A 126 1.990 7.827 2.669 1.00 0.00 H new ATOM 0 HD13 LEU A 126 0.588 8.018 1.588 1.00 0.00 H new ATOM 0 HD21 LEU A 126 1.051 5.315 0.094 1.00 0.00 H new ATOM 0 HD22 LEU A 126 0.702 6.828 -0.776 1.00 0.00 H new ATOM 0 HD23 LEU A 126 2.174 5.901 -1.155 1.00 0.00 H new ATOM 1864 N SER A 127 4.606 9.805 -2.199 1.00 0.00 N ATOM 1865 CA SER A 127 5.174 11.038 -2.717 1.00 0.00 C ATOM 1866 C SER A 127 4.205 11.685 -3.709 1.00 0.00 C ATOM 1867 O SER A 127 3.942 11.132 -4.776 1.00 0.00 O ATOM 1868 CB SER A 127 6.526 10.782 -3.387 1.00 0.00 C ATOM 1869 OG SER A 127 7.479 10.242 -2.475 1.00 0.00 O ATOM 0 H SER A 127 3.959 9.335 -2.832 1.00 0.00 H new ATOM 0 HA SER A 127 5.335 11.718 -1.881 1.00 0.00 H new ATOM 0 HB2 SER A 127 6.393 10.094 -4.222 1.00 0.00 H new ATOM 0 HB3 SER A 127 6.908 11.715 -3.801 1.00 0.00 H new ATOM 0 HG SER A 127 8.328 10.091 -2.940 1.00 0.00 H new ATOM 1875 N PHE A 128 3.700 12.847 -3.321 1.00 0.00 N ATOM 1876 CA PHE A 128 2.765 13.575 -4.162 1.00 0.00 C ATOM 1877 C PHE A 128 3.503 14.539 -5.093 1.00 0.00 C ATOM 1878 O PHE A 128 4.524 15.112 -4.717 1.00 0.00 O ATOM 1879 CB PHE A 128 1.857 14.379 -3.230 1.00 0.00 C ATOM 1880 CG PHE A 128 0.816 15.232 -3.959 1.00 0.00 C ATOM 1881 CD1 PHE A 128 0.085 14.694 -4.972 1.00 0.00 C ATOM 1882 CD2 PHE A 128 0.622 16.527 -3.593 1.00 0.00 C ATOM 1883 CE1 PHE A 128 -0.880 15.486 -5.648 1.00 0.00 C ATOM 1884 CE2 PHE A 128 -0.344 17.319 -4.269 1.00 0.00 C ATOM 1885 CZ PHE A 128 -1.075 16.781 -5.282 1.00 0.00 C ATOM 0 H PHE A 128 3.921 13.302 -2.435 1.00 0.00 H new ATOM 0 HA PHE A 128 2.198 12.878 -4.779 1.00 0.00 H new ATOM 0 HB2 PHE A 128 1.343 13.692 -2.558 1.00 0.00 H new ATOM 0 HB3 PHE A 128 2.474 15.029 -2.610 1.00 0.00 H new ATOM 0 HD1 PHE A 128 0.239 13.665 -5.262 1.00 0.00 H new ATOM 0 HD2 PHE A 128 1.202 16.953 -2.788 1.00 0.00 H new ATOM 0 HE1 PHE A 128 -1.460 15.060 -6.453 1.00 0.00 H new ATOM 0 HE2 PHE A 128 -0.498 18.348 -3.979 1.00 0.00 H new ATOM 0 HZ PHE A 128 -1.810 17.382 -5.796 1.00 0.00 H new ATOM 1895 N LYS A 129 2.956 14.689 -6.291 1.00 0.00 N ATOM 1896 CA LYS A 129 3.550 15.575 -7.279 1.00 0.00 C ATOM 1897 C LYS A 129 2.447 16.403 -7.942 1.00 0.00 C ATOM 1898 O LYS A 129 1.872 15.986 -8.946 1.00 0.00 O ATOM 1899 CB LYS A 129 4.401 14.778 -8.270 1.00 0.00 C ATOM 1900 CG LYS A 129 5.777 14.462 -7.680 1.00 0.00 C ATOM 1901 CD LYS A 129 6.367 13.199 -8.311 1.00 0.00 C ATOM 1902 CE LYS A 129 7.788 13.453 -8.818 1.00 0.00 C ATOM 1903 NZ LYS A 129 7.994 12.802 -10.131 1.00 0.00 N ATOM 0 H LYS A 129 2.109 14.212 -6.600 1.00 0.00 H new ATOM 0 HA LYS A 129 4.233 16.277 -6.801 1.00 0.00 H new ATOM 0 HB2 LYS A 129 3.891 13.850 -8.529 1.00 0.00 H new ATOM 0 HB3 LYS A 129 4.519 15.346 -9.193 1.00 0.00 H new ATOM 0 HG2 LYS A 129 6.450 15.304 -7.845 1.00 0.00 H new ATOM 0 HG3 LYS A 129 5.692 14.329 -6.602 1.00 0.00 H new ATOM 0 HD2 LYS A 129 6.377 12.392 -7.578 1.00 0.00 H new ATOM 0 HD3 LYS A 129 5.735 12.871 -9.137 1.00 0.00 H new ATOM 0 HE2 LYS A 129 7.963 14.525 -8.906 1.00 0.00 H new ATOM 0 HE3 LYS A 129 8.511 13.070 -8.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 8.963 12.984 -10.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 7.847 11.777 -10.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 7.316 13.187 -10.819 1.00 0.00 H new ATOM 1917 N PRO A 130 2.180 17.592 -7.338 1.00 0.00 N ATOM 1918 CA PRO A 130 1.157 18.483 -7.860 1.00 0.00 C ATOM 1919 C PRO A 130 1.642 19.194 -9.124 1.00 0.00 C ATOM 1920 O PRO A 130 2.772 19.679 -9.173 1.00 0.00 O ATOM 1921 CB PRO A 130 0.851 19.440 -6.720 1.00 0.00 C ATOM 1922 CG PRO A 130 2.034 19.348 -5.769 1.00 0.00 C ATOM 1923 CD PRO A 130 2.842 18.118 -6.148 1.00 0.00 C ATOM 0 HA PRO A 130 0.256 17.954 -8.171 1.00 0.00 H new ATOM 0 HB2 PRO A 130 0.724 20.458 -7.088 1.00 0.00 H new ATOM 0 HB3 PRO A 130 -0.076 19.165 -6.217 1.00 0.00 H new ATOM 0 HG2 PRO A 130 2.649 20.245 -5.837 1.00 0.00 H new ATOM 0 HG3 PRO A 130 1.690 19.276 -4.737 1.00 0.00 H new ATOM 0 HD2 PRO A 130 3.881 18.375 -6.354 1.00 0.00 H new ATOM 0 HD3 PRO A 130 2.849 17.385 -5.342 1.00 0.00 H new ATOM 1931 N SER A 131 0.764 19.235 -10.116 1.00 0.00 N ATOM 1932 CA SER A 131 1.089 19.880 -11.377 1.00 0.00 C ATOM 1933 C SER A 131 1.423 21.354 -11.140 1.00 0.00 C ATOM 1934 O SER A 131 0.540 22.210 -11.191 1.00 0.00 O ATOM 1935 CB SER A 131 -0.063 19.750 -12.375 1.00 0.00 C ATOM 1936 OG SER A 131 0.305 20.195 -13.677 1.00 0.00 O ATOM 0 H SER A 131 -0.172 18.832 -10.072 1.00 0.00 H new ATOM 0 HA SER A 131 1.960 19.381 -11.802 1.00 0.00 H new ATOM 0 HB2 SER A 131 -0.383 18.709 -12.425 1.00 0.00 H new ATOM 0 HB3 SER A 131 -0.916 20.330 -12.022 1.00 0.00 H new ATOM 0 HG SER A 131 -0.457 20.094 -14.285 1.00 0.00 H new