USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 608 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 NoAdj-H: A 18 HIS HD1 : A 18 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 56 HIS HD1 : A 56 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 13 HIS : no HE2:sc= -4.62! K(o=-5.2!,f=-3.2) USER MOD Set 1.2: A 46 TYR OH : rot 30:sc= -0.62 USER MOD Single : A 1 GLY N :NH3+ -132:sc= 0.0697 (180deg=0) USER MOD Single : A 2 SER OG : rot 0:sc= 0.895 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= -0.23 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.308) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= -0.0913 K(o=-0.091,f=-1.3!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 157:sc= -0.0176 (180deg=-0.782) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 43 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.0814) USER MOD Single : A 44 GLN : amide:sc= -0.41 X(o=-0.41,f=-0.018) USER MOD Single : A 47 LYS NZ :NH3+ -177:sc= -0.526 (180deg=-0.539) USER MOD Single : A 50 GLN : amide:sc= 0.0709 X(o=0.071,f=0) USER MOD Single : A 52 ASN : amide:sc= -0.573 X(o=-0.57,f=-0.92) USER MOD Single : A 57 LYS NZ :NH3+ -134:sc= 0 (180deg=-0.99) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 40:sc= 0.217 USER MOD Single : A 73 ASN : amide:sc= -0.0974 K(o=-0.097,f=-2.1!) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 60:sc= 1.27 USER MOD Single : A 81 SER OG : rot 180:sc=-0.00595 USER MOD Single : A 82 SER OG : rot 180:sc= 0.0141 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -20.120 -2.924 -27.622 1.00 0.00 N ATOM 2 CA GLY A 1 -18.924 -3.743 -27.561 1.00 0.00 C ATOM 3 C GLY A 1 -18.340 -3.813 -26.164 1.00 0.00 C ATOM 4 O GLY A 1 -18.980 -3.404 -25.195 1.00 0.00 O ATOM 0 H1 GLY A 1 -20.865 -3.435 -28.138 1.00 0.00 H new ATOM 0 H2 GLY A 1 -20.448 -2.716 -26.657 1.00 0.00 H new ATOM 0 H3 GLY A 1 -19.906 -2.033 -28.115 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -19.159 -4.751 -27.904 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -18.176 -3.340 -28.244 1.00 0.00 H new ATOM 8 N SER A 2 -17.122 -4.335 -26.059 1.00 0.00 N ATOM 9 CA SER A 2 -16.454 -4.461 -24.768 1.00 0.00 C ATOM 10 C SER A 2 -14.944 -4.583 -24.948 1.00 0.00 C ATOM 11 O SER A 2 -14.469 -5.178 -25.916 1.00 0.00 O ATOM 12 CB SER A 2 -16.988 -5.679 -24.011 1.00 0.00 C ATOM 13 OG SER A 2 -18.327 -5.472 -23.594 1.00 0.00 O ATOM 0 H SER A 2 -16.578 -4.677 -26.851 1.00 0.00 H new ATOM 0 HA SER A 2 -16.663 -3.561 -24.189 1.00 0.00 H new ATOM 0 HB2 SER A 2 -16.935 -6.561 -24.650 1.00 0.00 H new ATOM 0 HB3 SER A 2 -16.359 -5.876 -23.143 1.00 0.00 H new ATOM 0 HG SER A 2 -18.626 -4.585 -23.883 1.00 0.00 H new ATOM 19 N SER A 3 -14.194 -4.014 -24.010 1.00 0.00 N ATOM 20 CA SER A 3 -12.738 -4.054 -24.065 1.00 0.00 C ATOM 21 C SER A 3 -12.129 -3.467 -22.795 1.00 0.00 C ATOM 22 O SER A 3 -12.837 -2.931 -21.944 1.00 0.00 O ATOM 23 CB SER A 3 -12.231 -3.288 -25.289 1.00 0.00 C ATOM 24 OG SER A 3 -12.739 -1.965 -25.308 1.00 0.00 O ATOM 0 H SER A 3 -14.571 -3.519 -23.202 1.00 0.00 H new ATOM 0 HA SER A 3 -12.431 -5.097 -24.145 1.00 0.00 H new ATOM 0 HB2 SER A 3 -11.141 -3.263 -25.281 1.00 0.00 H new ATOM 0 HB3 SER A 3 -12.531 -3.809 -26.198 1.00 0.00 H new ATOM 0 HG SER A 3 -12.399 -1.496 -26.098 1.00 0.00 H new ATOM 30 N GLY A 4 -10.809 -3.572 -22.676 1.00 0.00 N ATOM 31 CA GLY A 4 -10.125 -3.047 -21.508 1.00 0.00 C ATOM 32 C GLY A 4 -8.687 -2.669 -21.799 1.00 0.00 C ATOM 33 O GLY A 4 -8.274 -2.618 -22.957 1.00 0.00 O ATOM 0 H GLY A 4 -10.201 -4.011 -23.367 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.660 -2.171 -21.141 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.148 -3.792 -20.712 1.00 0.00 H new ATOM 37 N SER A 5 -7.922 -2.402 -20.745 1.00 0.00 N ATOM 38 CA SER A 5 -6.522 -2.022 -20.894 1.00 0.00 C ATOM 39 C SER A 5 -5.731 -2.361 -19.634 1.00 0.00 C ATOM 40 O SER A 5 -6.269 -2.351 -18.528 1.00 0.00 O ATOM 41 CB SER A 5 -6.407 -0.525 -21.194 1.00 0.00 C ATOM 42 OG SER A 5 -7.213 -0.165 -22.303 1.00 0.00 O ATOM 0 H SER A 5 -8.248 -2.442 -19.779 1.00 0.00 H new ATOM 0 HA SER A 5 -6.104 -2.586 -21.728 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.710 0.049 -20.318 1.00 0.00 H new ATOM 0 HB3 SER A 5 -5.367 -0.270 -21.398 1.00 0.00 H new ATOM 0 HG SER A 5 -7.124 0.796 -22.474 1.00 0.00 H new ATOM 48 N SER A 6 -4.448 -2.661 -19.813 1.00 0.00 N ATOM 49 CA SER A 6 -3.582 -3.007 -18.692 1.00 0.00 C ATOM 50 C SER A 6 -3.305 -1.786 -17.821 1.00 0.00 C ATOM 51 O SER A 6 -3.498 -1.819 -16.606 1.00 0.00 O ATOM 52 CB SER A 6 -2.263 -3.593 -19.201 1.00 0.00 C ATOM 53 OG SER A 6 -2.488 -4.759 -19.974 1.00 0.00 O ATOM 0 H SER A 6 -3.986 -2.671 -20.722 1.00 0.00 H new ATOM 0 HA SER A 6 -4.095 -3.754 -18.087 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.739 -2.850 -19.802 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.617 -3.832 -18.356 1.00 0.00 H new ATOM 0 HG SER A 6 -1.630 -5.113 -20.289 1.00 0.00 H new ATOM 59 N GLY A 7 -2.851 -0.707 -18.452 1.00 0.00 N ATOM 60 CA GLY A 7 -2.555 0.511 -17.720 1.00 0.00 C ATOM 61 C GLY A 7 -1.067 0.791 -17.638 1.00 0.00 C ATOM 62 O GLY A 7 -0.472 1.306 -18.585 1.00 0.00 O ATOM 0 H GLY A 7 -2.683 -0.655 -19.457 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.054 1.352 -18.203 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.963 0.434 -16.712 1.00 0.00 H new ATOM 66 N LYS A 8 -0.465 0.452 -16.503 1.00 0.00 N ATOM 67 CA LYS A 8 0.962 0.671 -16.300 1.00 0.00 C ATOM 68 C LYS A 8 1.618 -0.559 -15.680 1.00 0.00 C ATOM 69 O LYS A 8 0.948 -1.383 -15.058 1.00 0.00 O ATOM 70 CB LYS A 8 1.190 1.890 -15.403 1.00 0.00 C ATOM 71 CG LYS A 8 1.093 3.214 -16.141 1.00 0.00 C ATOM 72 CD LYS A 8 -0.338 3.729 -16.176 1.00 0.00 C ATOM 73 CE LYS A 8 -0.498 4.858 -17.181 1.00 0.00 C ATOM 74 NZ LYS A 8 -1.918 5.034 -17.596 1.00 0.00 N ATOM 0 H LYS A 8 -0.943 0.025 -15.710 1.00 0.00 H new ATOM 0 HA LYS A 8 1.418 0.853 -17.273 1.00 0.00 H new ATOM 0 HB2 LYS A 8 0.458 1.879 -14.596 1.00 0.00 H new ATOM 0 HB3 LYS A 8 2.174 1.812 -14.941 1.00 0.00 H new ATOM 0 HG2 LYS A 8 1.734 3.950 -15.656 1.00 0.00 H new ATOM 0 HG3 LYS A 8 1.462 3.092 -17.159 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -1.013 2.913 -16.433 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -0.624 4.080 -15.184 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -0.129 5.787 -16.746 1.00 0.00 H new ATOM 0 HE3 LYS A 8 0.114 4.652 -18.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -1.985 5.813 -18.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -2.263 4.156 -18.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -2.498 5.256 -16.762 1.00 0.00 H new ATOM 88 N GLN A 9 2.931 -0.675 -15.855 1.00 0.00 N ATOM 89 CA GLN A 9 3.675 -1.805 -15.311 1.00 0.00 C ATOM 90 C GLN A 9 3.556 -1.856 -13.792 1.00 0.00 C ATOM 91 O GLN A 9 3.244 -0.853 -13.150 1.00 0.00 O ATOM 92 CB GLN A 9 5.149 -1.713 -15.715 1.00 0.00 C ATOM 93 CG GLN A 9 5.877 -3.046 -15.664 1.00 0.00 C ATOM 94 CD GLN A 9 7.040 -3.113 -16.635 1.00 0.00 C ATOM 95 OE1 GLN A 9 6.847 -3.198 -17.848 1.00 0.00 O ATOM 96 NE2 GLN A 9 8.257 -3.074 -16.104 1.00 0.00 N ATOM 0 H GLN A 9 3.500 -0.002 -16.368 1.00 0.00 H new ATOM 0 HA GLN A 9 3.248 -2.720 -15.721 1.00 0.00 H new ATOM 0 HB2 GLN A 9 5.216 -1.310 -16.726 1.00 0.00 H new ATOM 0 HB3 GLN A 9 5.654 -1.007 -15.056 1.00 0.00 H new ATOM 0 HG2 GLN A 9 6.243 -3.217 -14.652 1.00 0.00 H new ATOM 0 HG3 GLN A 9 5.174 -3.848 -15.889 1.00 0.00 H new ATOM 0 HE21 GLN A 9 8.370 -3.003 -15.093 1.00 0.00 H new ATOM 0 HE22 GLN A 9 9.078 -3.115 -16.708 1.00 0.00 H new ATOM 105 N ALA A 10 3.804 -3.030 -13.222 1.00 0.00 N ATOM 106 CA ALA A 10 3.724 -3.212 -11.778 1.00 0.00 C ATOM 107 C ALA A 10 4.530 -4.428 -11.333 1.00 0.00 C ATOM 108 O ALA A 10 5.144 -5.112 -12.150 1.00 0.00 O ATOM 109 CB ALA A 10 2.273 -3.349 -11.342 1.00 0.00 C ATOM 0 H ALA A 10 4.062 -3.871 -13.739 1.00 0.00 H new ATOM 0 HA ALA A 10 4.152 -2.330 -11.301 1.00 0.00 H new ATOM 0 HB1 ALA A 10 2.229 -3.484 -10.261 1.00 0.00 H new ATOM 0 HB2 ALA A 10 1.724 -2.449 -11.618 1.00 0.00 H new ATOM 0 HB3 ALA A 10 1.825 -4.212 -11.834 1.00 0.00 H new ATOM 115 N LYS A 11 4.524 -4.691 -10.030 1.00 0.00 N ATOM 116 CA LYS A 11 5.253 -5.824 -9.474 1.00 0.00 C ATOM 117 C LYS A 11 4.707 -6.203 -8.102 1.00 0.00 C ATOM 118 O LYS A 11 4.142 -5.367 -7.396 1.00 0.00 O ATOM 119 CB LYS A 11 6.744 -5.496 -9.369 1.00 0.00 C ATOM 120 CG LYS A 11 7.107 -4.713 -8.118 1.00 0.00 C ATOM 121 CD LYS A 11 6.767 -3.239 -8.265 1.00 0.00 C ATOM 122 CE LYS A 11 7.975 -2.431 -8.713 1.00 0.00 C ATOM 123 NZ LYS A 11 8.096 -2.388 -10.197 1.00 0.00 N ATOM 0 H LYS A 11 4.021 -4.134 -9.339 1.00 0.00 H new ATOM 0 HA LYS A 11 5.120 -6.673 -10.145 1.00 0.00 H new ATOM 0 HB2 LYS A 11 7.314 -6.425 -9.384 1.00 0.00 H new ATOM 0 HB3 LYS A 11 7.044 -4.923 -10.246 1.00 0.00 H new ATOM 0 HG2 LYS A 11 6.575 -5.127 -7.261 1.00 0.00 H new ATOM 0 HG3 LYS A 11 8.172 -4.823 -7.915 1.00 0.00 H new ATOM 0 HD2 LYS A 11 5.960 -3.121 -8.988 1.00 0.00 H new ATOM 0 HD3 LYS A 11 6.401 -2.852 -7.314 1.00 0.00 H new ATOM 0 HE2 LYS A 11 7.896 -1.415 -8.326 1.00 0.00 H new ATOM 0 HE3 LYS A 11 8.880 -2.865 -8.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 8.762 -1.637 -10.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 8.447 -3.304 -10.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 7.164 -2.193 -10.616 1.00 0.00 H new ATOM 137 N ILE A 12 4.879 -7.467 -7.730 1.00 0.00 N ATOM 138 CA ILE A 12 4.405 -7.955 -6.440 1.00 0.00 C ATOM 139 C ILE A 12 5.517 -7.924 -5.398 1.00 0.00 C ATOM 140 O ILE A 12 6.650 -8.324 -5.671 1.00 0.00 O ATOM 141 CB ILE A 12 3.857 -9.390 -6.548 1.00 0.00 C ATOM 142 CG1 ILE A 12 2.917 -9.512 -7.749 1.00 0.00 C ATOM 143 CG2 ILE A 12 3.139 -9.780 -5.265 1.00 0.00 C ATOM 144 CD1 ILE A 12 2.351 -10.902 -7.935 1.00 0.00 C ATOM 0 H ILE A 12 5.343 -8.172 -8.303 1.00 0.00 H new ATOM 0 HA ILE A 12 3.600 -7.290 -6.128 1.00 0.00 H new ATOM 0 HB ILE A 12 4.694 -10.073 -6.695 1.00 0.00 H new ATOM 0 HG12 ILE A 12 2.095 -8.807 -7.629 1.00 0.00 H new ATOM 0 HG13 ILE A 12 3.455 -9.224 -8.652 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.757 -10.797 -5.356 1.00 0.00 H new ATOM 0 HG22 ILE A 12 3.835 -9.728 -4.428 1.00 0.00 H new ATOM 0 HG23 ILE A 12 2.309 -9.095 -5.090 1.00 0.00 H new ATOM 0 HD11 ILE A 12 1.694 -10.914 -8.805 1.00 0.00 H new ATOM 0 HD12 ILE A 12 3.166 -11.610 -8.087 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.784 -11.186 -7.048 1.00 0.00 H new ATOM 156 N HIS A 13 5.187 -7.449 -4.201 1.00 0.00 N ATOM 157 CA HIS A 13 6.159 -7.367 -3.116 1.00 0.00 C ATOM 158 C HIS A 13 5.960 -8.510 -2.124 1.00 0.00 C ATOM 159 O HIS A 13 5.021 -8.495 -1.327 1.00 0.00 O ATOM 160 CB HIS A 13 6.041 -6.024 -2.397 1.00 0.00 C ATOM 161 CG HIS A 13 5.979 -4.851 -3.326 1.00 0.00 C ATOM 162 ND1 HIS A 13 6.673 -3.680 -3.105 1.00 0.00 N ATOM 163 CD2 HIS A 13 5.303 -4.674 -4.484 1.00 0.00 C ATOM 164 CE1 HIS A 13 6.423 -2.831 -4.087 1.00 0.00 C ATOM 165 NE2 HIS A 13 5.596 -3.411 -4.937 1.00 0.00 N ATOM 0 H HIS A 13 4.254 -7.115 -3.958 1.00 0.00 H new ATOM 0 HA HIS A 13 7.157 -7.451 -3.546 1.00 0.00 H new ATOM 0 HB2 HIS A 13 5.146 -6.032 -1.775 1.00 0.00 H new ATOM 0 HB3 HIS A 13 6.893 -5.903 -1.728 1.00 0.00 H new ATOM 0 HD1 HIS A 13 7.284 -3.498 -2.309 1.00 0.00 H new ATOM 0 HD2 HIS A 13 4.654 -5.392 -4.963 1.00 0.00 H new ATOM 0 HE1 HIS A 13 6.826 -1.833 -4.178 1.00 0.00 H new ATOM 173 N TYR A 14 6.848 -9.495 -2.178 1.00 0.00 N ATOM 174 CA TYR A 14 6.767 -10.645 -1.286 1.00 0.00 C ATOM 175 C TYR A 14 7.276 -10.291 0.109 1.00 0.00 C ATOM 176 O TYR A 14 8.176 -10.944 0.638 1.00 0.00 O ATOM 177 CB TYR A 14 7.575 -11.815 -1.853 1.00 0.00 C ATOM 178 CG TYR A 14 6.787 -12.694 -2.796 1.00 0.00 C ATOM 179 CD1 TYR A 14 5.890 -12.144 -3.704 1.00 0.00 C ATOM 180 CD2 TYR A 14 6.937 -14.075 -2.779 1.00 0.00 C ATOM 181 CE1 TYR A 14 5.167 -12.944 -4.567 1.00 0.00 C ATOM 182 CE2 TYR A 14 6.219 -14.882 -3.639 1.00 0.00 C ATOM 183 CZ TYR A 14 5.335 -14.313 -4.531 1.00 0.00 C ATOM 184 OH TYR A 14 4.617 -15.114 -5.390 1.00 0.00 O ATOM 0 H TYR A 14 7.632 -9.521 -2.830 1.00 0.00 H new ATOM 0 HA TYR A 14 5.720 -10.938 -1.208 1.00 0.00 H new ATOM 0 HB2 TYR A 14 8.446 -11.423 -2.378 1.00 0.00 H new ATOM 0 HB3 TYR A 14 7.946 -12.423 -1.028 1.00 0.00 H new ATOM 0 HD1 TYR A 14 5.756 -11.073 -3.735 1.00 0.00 H new ATOM 0 HD2 TYR A 14 7.627 -14.525 -2.081 1.00 0.00 H new ATOM 0 HE1 TYR A 14 4.474 -12.500 -5.266 1.00 0.00 H new ATOM 0 HE2 TYR A 14 6.349 -15.954 -3.613 1.00 0.00 H new ATOM 0 HH TYR A 14 4.853 -16.053 -5.237 1.00 0.00 H new ATOM 194 N ILE A 15 6.692 -9.252 0.697 1.00 0.00 N ATOM 195 CA ILE A 15 7.084 -8.810 2.029 1.00 0.00 C ATOM 196 C ILE A 15 6.237 -9.486 3.104 1.00 0.00 C ATOM 197 O ILE A 15 5.028 -9.654 2.942 1.00 0.00 O ATOM 198 CB ILE A 15 6.957 -7.282 2.176 1.00 0.00 C ATOM 199 CG1 ILE A 15 8.241 -6.595 1.708 1.00 0.00 C ATOM 200 CG2 ILE A 15 6.648 -6.913 3.620 1.00 0.00 C ATOM 201 CD1 ILE A 15 8.206 -6.174 0.255 1.00 0.00 C ATOM 0 H ILE A 15 5.946 -8.701 0.272 1.00 0.00 H new ATOM 0 HA ILE A 15 8.128 -9.093 2.161 1.00 0.00 H new ATOM 0 HB ILE A 15 6.134 -6.938 1.549 1.00 0.00 H new ATOM 0 HG12 ILE A 15 8.420 -5.717 2.328 1.00 0.00 H new ATOM 0 HG13 ILE A 15 9.082 -7.271 1.862 1.00 0.00 H new ATOM 0 HG21 ILE A 15 6.561 -5.830 3.708 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.709 -7.378 3.922 1.00 0.00 H new ATOM 0 HG23 ILE A 15 7.452 -7.266 4.266 1.00 0.00 H new ATOM 0 HD11 ILE A 15 9.149 -5.694 -0.008 1.00 0.00 H new ATOM 0 HD12 ILE A 15 8.058 -7.051 -0.375 1.00 0.00 H new ATOM 0 HD13 ILE A 15 7.386 -5.473 0.099 1.00 0.00 H new ATOM 213 N LYS A 16 6.880 -9.869 4.202 1.00 0.00 N ATOM 214 CA LYS A 16 6.187 -10.522 5.305 1.00 0.00 C ATOM 215 C LYS A 16 5.241 -11.603 4.790 1.00 0.00 C ATOM 216 O LYS A 16 4.245 -11.927 5.435 1.00 0.00 O ATOM 217 CB LYS A 16 5.405 -9.494 6.125 1.00 0.00 C ATOM 218 CG LYS A 16 6.278 -8.410 6.734 1.00 0.00 C ATOM 219 CD LYS A 16 6.761 -8.797 8.121 1.00 0.00 C ATOM 220 CE LYS A 16 7.878 -7.883 8.598 1.00 0.00 C ATOM 221 NZ LYS A 16 8.716 -8.530 9.646 1.00 0.00 N ATOM 0 H LYS A 16 7.881 -9.738 4.351 1.00 0.00 H new ATOM 0 HA LYS A 16 6.936 -10.992 5.943 1.00 0.00 H new ATOM 0 HB2 LYS A 16 4.654 -9.028 5.487 1.00 0.00 H new ATOM 0 HB3 LYS A 16 4.870 -10.009 6.923 1.00 0.00 H new ATOM 0 HG2 LYS A 16 7.136 -8.226 6.087 1.00 0.00 H new ATOM 0 HG3 LYS A 16 5.716 -7.478 6.790 1.00 0.00 H new ATOM 0 HD2 LYS A 16 5.928 -8.752 8.823 1.00 0.00 H new ATOM 0 HD3 LYS A 16 7.113 -9.828 8.110 1.00 0.00 H new ATOM 0 HE2 LYS A 16 8.506 -7.605 7.752 1.00 0.00 H new ATOM 0 HE3 LYS A 16 7.450 -6.962 8.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 9.466 -7.874 9.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 8.122 -8.773 10.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 9.146 -9.396 9.262 1.00 0.00 H new ATOM 235 N ASN A 17 5.561 -12.157 3.625 1.00 0.00 N ATOM 236 CA ASN A 17 4.739 -13.201 3.024 1.00 0.00 C ATOM 237 C ASN A 17 3.461 -12.615 2.432 1.00 0.00 C ATOM 238 O ASN A 17 2.401 -13.241 2.473 1.00 0.00 O ATOM 239 CB ASN A 17 4.391 -14.267 4.065 1.00 0.00 C ATOM 240 CG ASN A 17 4.233 -15.645 3.450 1.00 0.00 C ATOM 241 OD1 ASN A 17 4.942 -16.001 2.509 1.00 0.00 O ATOM 242 ND2 ASN A 17 3.302 -16.427 3.983 1.00 0.00 N ATOM 0 H ASN A 17 6.383 -11.901 3.079 1.00 0.00 H new ATOM 0 HA ASN A 17 5.312 -13.662 2.219 1.00 0.00 H new ATOM 0 HB2 ASN A 17 5.172 -14.298 4.824 1.00 0.00 H new ATOM 0 HB3 ASN A 17 3.466 -13.989 4.570 1.00 0.00 H new ATOM 0 HD21 ASN A 17 3.151 -17.365 3.613 1.00 0.00 H new ATOM 0 HD22 ASN A 17 2.738 -16.089 4.763 1.00 0.00 H new ATOM 249 N HIS A 18 3.568 -11.410 1.883 1.00 0.00 N ATOM 250 CA HIS A 18 2.420 -10.739 1.281 1.00 0.00 C ATOM 251 C HIS A 18 2.604 -10.596 -0.227 1.00 0.00 C ATOM 252 O HIS A 18 3.584 -11.081 -0.791 1.00 0.00 O ATOM 253 CB HIS A 18 2.218 -9.362 1.914 1.00 0.00 C ATOM 254 CG HIS A 18 1.485 -9.406 3.220 1.00 0.00 C ATOM 255 ND1 HIS A 18 0.124 -9.216 3.326 1.00 0.00 N ATOM 256 CD2 HIS A 18 1.932 -9.621 4.479 1.00 0.00 C ATOM 257 CE1 HIS A 18 -0.235 -9.310 4.594 1.00 0.00 C ATOM 258 NE2 HIS A 18 0.844 -9.557 5.314 1.00 0.00 N ATOM 0 H HIS A 18 4.437 -10.878 1.842 1.00 0.00 H new ATOM 0 HA HIS A 18 1.536 -11.349 1.466 1.00 0.00 H new ATOM 0 HB2 HIS A 18 3.191 -8.896 2.068 1.00 0.00 H new ATOM 0 HB3 HIS A 18 1.667 -8.728 1.219 1.00 0.00 H new ATOM 0 HD2 HIS A 18 2.954 -9.808 4.772 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -1.239 -9.203 4.976 1.00 0.00 H new ATOM 0 HE2 HIS A 18 0.866 -9.680 6.326 1.00 0.00 H new ATOM 266 N GLU A 19 1.655 -9.927 -0.873 1.00 0.00 N ATOM 267 CA GLU A 19 1.712 -9.722 -2.316 1.00 0.00 C ATOM 268 C GLU A 19 1.390 -8.274 -2.672 1.00 0.00 C ATOM 269 O GLU A 19 0.960 -7.979 -3.788 1.00 0.00 O ATOM 270 CB GLU A 19 0.736 -10.662 -3.026 1.00 0.00 C ATOM 271 CG GLU A 19 1.309 -12.044 -3.295 1.00 0.00 C ATOM 272 CD GLU A 19 0.646 -12.732 -4.472 1.00 0.00 C ATOM 273 OE1 GLU A 19 0.244 -12.028 -5.422 1.00 0.00 O ATOM 274 OE2 GLU A 19 0.528 -13.974 -4.444 1.00 0.00 O ATOM 0 H GLU A 19 0.838 -9.518 -0.421 1.00 0.00 H new ATOM 0 HA GLU A 19 2.726 -9.944 -2.649 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -0.164 -10.763 -2.420 1.00 0.00 H new ATOM 0 HB3 GLU A 19 0.435 -10.212 -3.972 1.00 0.00 H new ATOM 0 HG2 GLU A 19 2.379 -11.959 -3.485 1.00 0.00 H new ATOM 0 HG3 GLU A 19 1.191 -12.662 -2.405 1.00 0.00 H new ATOM 281 N PHE A 20 1.600 -7.374 -1.718 1.00 0.00 N ATOM 282 CA PHE A 20 1.331 -5.956 -1.930 1.00 0.00 C ATOM 283 C PHE A 20 1.667 -5.547 -3.360 1.00 0.00 C ATOM 284 O PHE A 20 2.838 -5.437 -3.726 1.00 0.00 O ATOM 285 CB PHE A 20 2.137 -5.110 -0.942 1.00 0.00 C ATOM 286 CG PHE A 20 1.806 -5.389 0.496 1.00 0.00 C ATOM 287 CD1 PHE A 20 0.533 -5.151 0.987 1.00 0.00 C ATOM 288 CD2 PHE A 20 2.769 -5.892 1.357 1.00 0.00 C ATOM 289 CE1 PHE A 20 0.227 -5.406 2.311 1.00 0.00 C ATOM 290 CE2 PHE A 20 2.468 -6.150 2.681 1.00 0.00 C ATOM 291 CZ PHE A 20 1.195 -5.908 3.158 1.00 0.00 C ATOM 0 H PHE A 20 1.956 -7.601 -0.789 1.00 0.00 H new ATOM 0 HA PHE A 20 0.268 -5.784 -1.762 1.00 0.00 H new ATOM 0 HB2 PHE A 20 3.200 -5.291 -1.104 1.00 0.00 H new ATOM 0 HB3 PHE A 20 1.958 -4.055 -1.149 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -0.229 -4.762 0.328 1.00 0.00 H new ATOM 0 HD2 PHE A 20 3.766 -6.084 0.989 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -0.769 -5.213 2.682 1.00 0.00 H new ATOM 0 HE2 PHE A 20 3.228 -6.541 3.342 1.00 0.00 H new ATOM 0 HZ PHE A 20 0.957 -6.111 4.192 1.00 0.00 H new ATOM 301 N ILE A 21 0.634 -5.324 -4.164 1.00 0.00 N ATOM 302 CA ILE A 21 0.818 -4.927 -5.554 1.00 0.00 C ATOM 303 C ILE A 21 0.600 -3.428 -5.732 1.00 0.00 C ATOM 304 O ILE A 21 -0.441 -2.894 -5.353 1.00 0.00 O ATOM 305 CB ILE A 21 -0.139 -5.688 -6.490 1.00 0.00 C ATOM 306 CG1 ILE A 21 0.393 -7.096 -6.764 1.00 0.00 C ATOM 307 CG2 ILE A 21 -0.326 -4.924 -7.792 1.00 0.00 C ATOM 308 CD1 ILE A 21 -0.361 -7.826 -7.853 1.00 0.00 C ATOM 0 H ILE A 21 -0.341 -5.412 -3.876 1.00 0.00 H new ATOM 0 HA ILE A 21 1.846 -5.176 -5.819 1.00 0.00 H new ATOM 0 HB ILE A 21 -1.109 -5.775 -6.000 1.00 0.00 H new ATOM 0 HG12 ILE A 21 1.445 -7.030 -7.043 1.00 0.00 H new ATOM 0 HG13 ILE A 21 0.343 -7.680 -5.845 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -1.005 -5.475 -8.443 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -0.745 -3.940 -7.580 1.00 0.00 H new ATOM 0 HG23 ILE A 21 0.638 -4.809 -8.288 1.00 0.00 H new ATOM 0 HD11 ILE A 21 0.071 -8.817 -7.993 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -1.408 -7.924 -7.568 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.290 -7.264 -8.784 1.00 0.00 H new ATOM 320 N ALA A 22 1.589 -2.756 -6.311 1.00 0.00 N ATOM 321 CA ALA A 22 1.503 -1.320 -6.542 1.00 0.00 C ATOM 322 C ALA A 22 0.172 -0.945 -7.184 1.00 0.00 C ATOM 323 O ALA A 22 -0.182 -1.455 -8.248 1.00 0.00 O ATOM 324 CB ALA A 22 2.661 -0.856 -7.414 1.00 0.00 C ATOM 0 H ALA A 22 2.459 -3.183 -6.629 1.00 0.00 H new ATOM 0 HA ALA A 22 1.564 -0.818 -5.577 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.585 0.219 -7.579 1.00 0.00 H new ATOM 0 HB2 ALA A 22 3.604 -1.081 -6.916 1.00 0.00 H new ATOM 0 HB3 ALA A 22 2.625 -1.373 -8.373 1.00 0.00 H new ATOM 330 N THR A 23 -0.565 -0.052 -6.530 1.00 0.00 N ATOM 331 CA THR A 23 -1.859 0.389 -7.036 1.00 0.00 C ATOM 332 C THR A 23 -2.093 1.864 -6.733 1.00 0.00 C ATOM 333 O THR A 23 -1.654 2.375 -5.703 1.00 0.00 O ATOM 334 CB THR A 23 -3.009 -0.437 -6.431 1.00 0.00 C ATOM 335 OG1 THR A 23 -4.154 -0.384 -7.289 1.00 0.00 O ATOM 336 CG2 THR A 23 -3.380 0.083 -5.049 1.00 0.00 C ATOM 0 H THR A 23 -0.287 0.380 -5.649 1.00 0.00 H new ATOM 0 HA THR A 23 -1.844 0.241 -8.116 1.00 0.00 H new ATOM 0 HB THR A 23 -2.674 -1.470 -6.336 1.00 0.00 H new ATOM 0 HG1 THR A 23 -4.880 -0.913 -6.898 1.00 0.00 H new ATOM 0 HG21 THR A 23 -4.194 -0.516 -4.641 1.00 0.00 H new ATOM 0 HG22 THR A 23 -2.514 0.015 -4.390 1.00 0.00 H new ATOM 0 HG23 THR A 23 -3.697 1.123 -5.125 1.00 0.00 H new ATOM 344 N PHE A 24 -2.788 2.546 -7.638 1.00 0.00 N ATOM 345 CA PHE A 24 -3.081 3.965 -7.468 1.00 0.00 C ATOM 346 C PHE A 24 -4.410 4.162 -6.745 1.00 0.00 C ATOM 347 O PHE A 24 -5.443 3.638 -7.165 1.00 0.00 O ATOM 348 CB PHE A 24 -3.117 4.666 -8.828 1.00 0.00 C ATOM 349 CG PHE A 24 -2.962 6.158 -8.736 1.00 0.00 C ATOM 350 CD1 PHE A 24 -1.715 6.726 -8.534 1.00 0.00 C ATOM 351 CD2 PHE A 24 -4.064 6.990 -8.852 1.00 0.00 C ATOM 352 CE1 PHE A 24 -1.569 8.098 -8.450 1.00 0.00 C ATOM 353 CE2 PHE A 24 -3.923 8.363 -8.770 1.00 0.00 C ATOM 354 CZ PHE A 24 -2.675 8.918 -8.567 1.00 0.00 C ATOM 0 H PHE A 24 -3.159 2.139 -8.497 1.00 0.00 H new ATOM 0 HA PHE A 24 -2.289 4.405 -6.862 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -2.322 4.264 -9.457 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -4.061 4.436 -9.322 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -0.847 6.090 -8.441 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -5.043 6.562 -9.008 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -0.591 8.529 -8.293 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -4.789 9.001 -8.865 1.00 0.00 H new ATOM 0 HZ PHE A 24 -2.564 9.990 -8.500 1.00 0.00 H new ATOM 364 N PHE A 25 -4.377 4.922 -5.656 1.00 0.00 N ATOM 365 CA PHE A 25 -5.578 5.189 -4.872 1.00 0.00 C ATOM 366 C PHE A 25 -6.059 6.622 -5.087 1.00 0.00 C ATOM 367 O PHE A 25 -5.601 7.548 -4.418 1.00 0.00 O ATOM 368 CB PHE A 25 -5.309 4.946 -3.387 1.00 0.00 C ATOM 369 CG PHE A 25 -4.480 3.721 -3.120 1.00 0.00 C ATOM 370 CD1 PHE A 25 -3.097 3.789 -3.128 1.00 0.00 C ATOM 371 CD2 PHE A 25 -5.087 2.503 -2.863 1.00 0.00 C ATOM 372 CE1 PHE A 25 -2.332 2.664 -2.883 1.00 0.00 C ATOM 373 CE2 PHE A 25 -4.327 1.374 -2.617 1.00 0.00 C ATOM 374 CZ PHE A 25 -2.948 1.455 -2.628 1.00 0.00 C ATOM 0 H PHE A 25 -3.532 5.364 -5.296 1.00 0.00 H new ATOM 0 HA PHE A 25 -6.360 4.507 -5.207 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -4.801 5.816 -2.971 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -6.261 4.852 -2.864 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -2.610 4.732 -3.328 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -6.165 2.434 -2.855 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -1.254 2.731 -2.891 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -4.811 0.430 -2.416 1.00 0.00 H new ATOM 0 HZ PHE A 25 -2.353 0.574 -2.437 1.00 0.00 H new ATOM 384 N GLY A 26 -6.987 6.795 -6.023 1.00 0.00 N ATOM 385 CA GLY A 26 -7.515 8.116 -6.309 1.00 0.00 C ATOM 386 C GLY A 26 -8.195 8.741 -5.108 1.00 0.00 C ATOM 387 O GLY A 26 -8.359 9.959 -5.043 1.00 0.00 O ATOM 0 H GLY A 26 -7.383 6.044 -6.588 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -6.704 8.764 -6.641 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -8.227 8.049 -7.132 1.00 0.00 H new ATOM 391 N GLN A 27 -8.596 7.905 -4.156 1.00 0.00 N ATOM 392 CA GLN A 27 -9.266 8.382 -2.952 1.00 0.00 C ATOM 393 C GLN A 27 -8.456 8.041 -1.705 1.00 0.00 C ATOM 394 O GLN A 27 -7.683 7.083 -1.681 1.00 0.00 O ATOM 395 CB GLN A 27 -10.666 7.776 -2.847 1.00 0.00 C ATOM 396 CG GLN A 27 -10.678 6.257 -2.916 1.00 0.00 C ATOM 397 CD GLN A 27 -12.005 5.705 -3.398 1.00 0.00 C ATOM 398 OE1 GLN A 27 -12.063 4.971 -4.385 1.00 0.00 O ATOM 399 NE2 GLN A 27 -13.080 6.058 -2.703 1.00 0.00 N ATOM 0 H GLN A 27 -8.469 6.894 -4.195 1.00 0.00 H new ATOM 0 HA GLN A 27 -9.352 9.466 -3.021 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -11.120 8.092 -1.908 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -11.286 8.173 -3.651 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -9.885 5.921 -3.584 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -10.457 5.851 -1.929 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -12.985 6.668 -1.891 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -14.001 5.719 -2.981 1.00 0.00 H new ATOM 408 N PRO A 28 -8.635 8.842 -0.644 1.00 0.00 N ATOM 409 CA PRO A 28 -7.930 8.643 0.625 1.00 0.00 C ATOM 410 C PRO A 28 -8.403 7.396 1.363 1.00 0.00 C ATOM 411 O PRO A 28 -9.334 7.452 2.167 1.00 0.00 O ATOM 412 CB PRO A 28 -8.278 9.902 1.424 1.00 0.00 C ATOM 413 CG PRO A 28 -9.575 10.363 0.856 1.00 0.00 C ATOM 414 CD PRO A 28 -9.542 10.002 -0.602 1.00 0.00 C ATOM 0 HA PRO A 28 -6.860 8.496 0.478 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -8.367 9.684 2.488 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -7.506 10.664 1.318 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -10.414 9.881 1.358 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -9.699 11.438 0.989 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -10.534 9.750 -0.977 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -9.170 10.825 -1.212 1.00 0.00 H new ATOM 422 N THR A 29 -7.757 6.268 1.084 1.00 0.00 N ATOM 423 CA THR A 29 -8.112 5.005 1.721 1.00 0.00 C ATOM 424 C THR A 29 -7.630 4.964 3.167 1.00 0.00 C ATOM 425 O THR A 29 -6.814 5.786 3.583 1.00 0.00 O ATOM 426 CB THR A 29 -7.519 3.805 0.959 1.00 0.00 C ATOM 427 OG1 THR A 29 -7.743 3.958 -0.447 1.00 0.00 O ATOM 428 CG2 THR A 29 -8.139 2.501 1.436 1.00 0.00 C ATOM 0 H THR A 29 -6.985 6.203 0.421 1.00 0.00 H new ATOM 0 HA THR A 29 -9.200 4.936 1.702 1.00 0.00 H new ATOM 0 HB THR A 29 -6.447 3.773 1.155 1.00 0.00 H new ATOM 0 HG1 THR A 29 -7.361 3.192 -0.924 1.00 0.00 H new ATOM 0 HG21 THR A 29 -7.704 1.668 0.883 1.00 0.00 H new ATOM 0 HG22 THR A 29 -7.942 2.372 2.500 1.00 0.00 H new ATOM 0 HG23 THR A 29 -9.215 2.527 1.267 1.00 0.00 H new ATOM 436 N PHE A 30 -8.138 4.000 3.927 1.00 0.00 N ATOM 437 CA PHE A 30 -7.758 3.852 5.327 1.00 0.00 C ATOM 438 C PHE A 30 -6.615 2.853 5.478 1.00 0.00 C ATOM 439 O PHE A 30 -6.814 1.643 5.369 1.00 0.00 O ATOM 440 CB PHE A 30 -8.961 3.396 6.157 1.00 0.00 C ATOM 441 CG PHE A 30 -8.580 2.723 7.445 1.00 0.00 C ATOM 442 CD1 PHE A 30 -8.336 3.468 8.587 1.00 0.00 C ATOM 443 CD2 PHE A 30 -8.466 1.343 7.513 1.00 0.00 C ATOM 444 CE1 PHE A 30 -7.984 2.851 9.772 1.00 0.00 C ATOM 445 CE2 PHE A 30 -8.115 0.720 8.695 1.00 0.00 C ATOM 446 CZ PHE A 30 -7.875 1.476 9.826 1.00 0.00 C ATOM 0 H PHE A 30 -8.813 3.310 3.598 1.00 0.00 H new ATOM 0 HA PHE A 30 -7.419 4.822 5.691 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -9.587 4.260 6.379 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -9.564 2.710 5.562 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -8.422 4.544 8.551 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -8.654 0.748 6.631 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -7.794 3.444 10.655 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -8.028 -0.356 8.735 1.00 0.00 H new ATOM 0 HZ PHE A 30 -7.602 0.992 10.752 1.00 0.00 H new ATOM 456 N CYS A 31 -5.417 3.369 5.729 1.00 0.00 N ATOM 457 CA CYS A 31 -4.239 2.524 5.894 1.00 0.00 C ATOM 458 C CYS A 31 -4.447 1.515 7.018 1.00 0.00 C ATOM 459 O CYS A 31 -5.343 1.671 7.849 1.00 0.00 O ATOM 460 CB CYS A 31 -3.007 3.383 6.185 1.00 0.00 C ATOM 461 SG CYS A 31 -1.453 2.438 6.301 1.00 0.00 S ATOM 0 H CYS A 31 -5.235 4.368 5.823 1.00 0.00 H new ATOM 0 HA CYS A 31 -4.081 1.977 4.964 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -2.906 4.133 5.400 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -3.164 3.920 7.121 1.00 0.00 H new ATOM 466 N SER A 32 -3.614 0.479 7.038 1.00 0.00 N ATOM 467 CA SER A 32 -3.709 -0.558 8.058 1.00 0.00 C ATOM 468 C SER A 32 -2.586 -0.418 9.082 1.00 0.00 C ATOM 469 O SER A 32 -2.802 -0.575 10.284 1.00 0.00 O ATOM 470 CB SER A 32 -3.655 -1.945 7.413 1.00 0.00 C ATOM 471 OG SER A 32 -3.865 -2.964 8.375 1.00 0.00 O ATOM 0 H SER A 32 -2.866 0.336 6.359 1.00 0.00 H new ATOM 0 HA SER A 32 -4.663 -0.440 8.572 1.00 0.00 H new ATOM 0 HB2 SER A 32 -4.412 -2.016 6.632 1.00 0.00 H new ATOM 0 HB3 SER A 32 -2.687 -2.088 6.932 1.00 0.00 H new ATOM 0 HG SER A 32 -3.827 -3.840 7.937 1.00 0.00 H new ATOM 477 N VAL A 33 -1.385 -0.122 8.596 1.00 0.00 N ATOM 478 CA VAL A 33 -0.227 0.042 9.467 1.00 0.00 C ATOM 479 C VAL A 33 -0.378 1.271 10.357 1.00 0.00 C ATOM 480 O VAL A 33 -0.537 1.154 11.573 1.00 0.00 O ATOM 481 CB VAL A 33 1.075 0.168 8.652 1.00 0.00 C ATOM 482 CG1 VAL A 33 2.187 0.751 9.511 1.00 0.00 C ATOM 483 CG2 VAL A 33 1.481 -1.184 8.085 1.00 0.00 C ATOM 0 H VAL A 33 -1.188 0.009 7.604 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.171 -0.850 10.091 1.00 0.00 H new ATOM 0 HB VAL A 33 0.898 0.847 7.818 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.099 0.833 8.919 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.894 1.740 9.864 1.00 0.00 H new ATOM 0 HG13 VAL A 33 2.366 0.099 10.366 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.402 -1.077 7.512 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.641 -1.888 8.902 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.691 -1.558 7.434 1.00 0.00 H new ATOM 493 N CYS A 34 -0.327 2.448 9.745 1.00 0.00 N ATOM 494 CA CYS A 34 -0.458 3.700 10.480 1.00 0.00 C ATOM 495 C CYS A 34 -1.927 4.053 10.695 1.00 0.00 C ATOM 496 O CYS A 34 -2.292 4.648 11.709 1.00 0.00 O ATOM 497 CB CYS A 34 0.246 4.832 9.730 1.00 0.00 C ATOM 498 SG CYS A 34 -0.589 5.338 8.193 1.00 0.00 S ATOM 0 H CYS A 34 -0.196 2.562 8.740 1.00 0.00 H new ATOM 0 HA CYS A 34 0.013 3.572 11.455 1.00 0.00 H new ATOM 0 HB2 CYS A 34 0.325 5.696 10.389 1.00 0.00 H new ATOM 0 HB3 CYS A 34 1.263 4.519 9.492 1.00 0.00 H new ATOM 503 N LYS A 35 -2.766 3.683 9.733 1.00 0.00 N ATOM 504 CA LYS A 35 -4.195 3.958 9.816 1.00 0.00 C ATOM 505 C LYS A 35 -4.470 5.452 9.677 1.00 0.00 C ATOM 506 O LYS A 35 -5.208 6.034 10.473 1.00 0.00 O ATOM 507 CB LYS A 35 -4.758 3.447 11.143 1.00 0.00 C ATOM 508 CG LYS A 35 -4.345 2.022 11.471 1.00 0.00 C ATOM 509 CD LYS A 35 -5.359 1.341 12.375 1.00 0.00 C ATOM 510 CE LYS A 35 -5.019 1.544 13.844 1.00 0.00 C ATOM 511 NZ LYS A 35 -5.250 2.950 14.278 1.00 0.00 N ATOM 0 H LYS A 35 -2.480 3.191 8.886 1.00 0.00 H new ATOM 0 HA LYS A 35 -4.688 3.437 8.995 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -4.428 4.106 11.946 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -5.846 3.503 11.112 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -4.238 1.452 10.548 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -3.369 2.028 11.957 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -6.354 1.738 12.172 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -5.390 0.275 12.151 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -5.624 0.872 14.453 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -3.976 1.278 14.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -5.390 2.977 15.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -4.425 3.531 14.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -6.096 3.325 13.803 1.00 0.00 H new ATOM 525 N ASP A 36 -3.873 6.067 8.661 1.00 0.00 N ATOM 526 CA ASP A 36 -4.056 7.493 8.417 1.00 0.00 C ATOM 527 C ASP A 36 -4.465 7.749 6.970 1.00 0.00 C ATOM 528 O ASP A 36 -3.920 7.147 6.044 1.00 0.00 O ATOM 529 CB ASP A 36 -2.771 8.257 8.739 1.00 0.00 C ATOM 530 CG ASP A 36 -3.020 9.732 8.984 1.00 0.00 C ATOM 531 OD1 ASP A 36 -3.819 10.058 9.886 1.00 0.00 O ATOM 532 OD2 ASP A 36 -2.415 10.561 8.271 1.00 0.00 O ATOM 0 H ASP A 36 -3.259 5.600 7.994 1.00 0.00 H new ATOM 0 HA ASP A 36 -4.854 7.848 9.070 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -2.303 7.819 9.621 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -2.067 8.142 7.914 1.00 0.00 H new ATOM 537 N PHE A 37 -5.428 8.644 6.781 1.00 0.00 N ATOM 538 CA PHE A 37 -5.912 8.978 5.447 1.00 0.00 C ATOM 539 C PHE A 37 -4.779 8.914 4.427 1.00 0.00 C ATOM 540 O PHE A 37 -3.913 9.789 4.389 1.00 0.00 O ATOM 541 CB PHE A 37 -6.540 10.373 5.442 1.00 0.00 C ATOM 542 CG PHE A 37 -7.296 10.694 6.700 1.00 0.00 C ATOM 543 CD1 PHE A 37 -8.600 10.258 6.870 1.00 0.00 C ATOM 544 CD2 PHE A 37 -6.703 11.432 7.712 1.00 0.00 C ATOM 545 CE1 PHE A 37 -9.299 10.552 8.027 1.00 0.00 C ATOM 546 CE2 PHE A 37 -7.396 11.727 8.870 1.00 0.00 C ATOM 547 CZ PHE A 37 -8.697 11.288 9.027 1.00 0.00 C ATOM 0 H PHE A 37 -5.889 9.152 7.536 1.00 0.00 H new ATOM 0 HA PHE A 37 -6.670 8.246 5.169 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -5.755 11.116 5.300 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -7.215 10.456 4.590 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -9.076 9.682 6.090 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -5.688 11.780 7.594 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -10.315 10.206 8.147 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -6.921 12.301 9.652 1.00 0.00 H new ATOM 0 HZ PHE A 37 -9.241 11.520 9.930 1.00 0.00 H new ATOM 557 N VAL A 38 -4.792 7.873 3.601 1.00 0.00 N ATOM 558 CA VAL A 38 -3.767 7.694 2.580 1.00 0.00 C ATOM 559 C VAL A 38 -3.991 8.640 1.405 1.00 0.00 C ATOM 560 O VAL A 38 -4.530 8.245 0.371 1.00 0.00 O ATOM 561 CB VAL A 38 -3.739 6.244 2.060 1.00 0.00 C ATOM 562 CG1 VAL A 38 -2.562 6.037 1.120 1.00 0.00 C ATOM 563 CG2 VAL A 38 -3.685 5.263 3.221 1.00 0.00 C ATOM 0 H VAL A 38 -5.502 7.140 3.619 1.00 0.00 H new ATOM 0 HA VAL A 38 -2.810 7.922 3.049 1.00 0.00 H new ATOM 0 HB VAL A 38 -4.656 6.059 1.501 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.558 5.007 0.763 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -2.651 6.715 0.271 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.632 6.240 1.651 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.666 4.244 2.835 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -2.786 5.445 3.810 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.564 5.396 3.851 1.00 0.00 H new ATOM 573 N TRP A 39 -3.573 9.889 1.571 1.00 0.00 N ATOM 574 CA TRP A 39 -3.728 10.892 0.524 1.00 0.00 C ATOM 575 C TRP A 39 -2.790 12.072 0.757 1.00 0.00 C ATOM 576 O TRP A 39 -2.729 12.621 1.855 1.00 0.00 O ATOM 577 CB TRP A 39 -5.176 11.380 0.466 1.00 0.00 C ATOM 578 CG TRP A 39 -5.316 12.761 -0.100 1.00 0.00 C ATOM 579 CD1 TRP A 39 -5.794 13.867 0.544 1.00 0.00 C ATOM 580 CD2 TRP A 39 -4.975 13.182 -1.425 1.00 0.00 C ATOM 581 NE1 TRP A 39 -5.771 14.950 -0.302 1.00 0.00 N ATOM 582 CE2 TRP A 39 -5.273 14.556 -1.515 1.00 0.00 C ATOM 583 CE3 TRP A 39 -4.446 12.533 -2.544 1.00 0.00 C ATOM 584 CZ2 TRP A 39 -5.059 15.289 -2.679 1.00 0.00 C ATOM 585 CZ3 TRP A 39 -4.234 13.262 -3.699 1.00 0.00 C ATOM 586 CH2 TRP A 39 -4.539 14.628 -3.759 1.00 0.00 C ATOM 0 H TRP A 39 -3.124 10.232 2.420 1.00 0.00 H new ATOM 0 HA TRP A 39 -3.470 10.429 -0.428 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -5.761 10.687 -0.138 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -5.598 11.363 1.471 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -6.139 13.887 1.567 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -6.076 15.894 -0.065 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -4.207 11.480 -2.507 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -5.295 16.342 -2.728 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -3.826 12.770 -4.570 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -4.360 15.170 -4.676 1.00 0.00 H new ATOM 597 N GLY A 40 -2.060 12.456 -0.287 1.00 0.00 N ATOM 598 CA GLY A 40 -1.134 13.568 -0.174 1.00 0.00 C ATOM 599 C GLY A 40 0.306 13.150 -0.396 1.00 0.00 C ATOM 600 O GLY A 40 1.213 13.633 0.283 1.00 0.00 O ATOM 0 H GLY A 40 -2.094 12.017 -1.207 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -1.402 14.335 -0.900 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -1.230 14.017 0.814 1.00 0.00 H new ATOM 604 N LEU A 41 0.517 12.248 -1.348 1.00 0.00 N ATOM 605 CA LEU A 41 1.858 11.762 -1.658 1.00 0.00 C ATOM 606 C LEU A 41 2.119 11.805 -3.160 1.00 0.00 C ATOM 607 O LEU A 41 1.215 11.581 -3.963 1.00 0.00 O ATOM 608 CB LEU A 41 2.037 10.334 -1.138 1.00 0.00 C ATOM 609 CG LEU A 41 2.574 10.202 0.287 1.00 0.00 C ATOM 610 CD1 LEU A 41 3.941 10.856 0.406 1.00 0.00 C ATOM 611 CD2 LEU A 41 1.599 10.814 1.283 1.00 0.00 C ATOM 0 H LEU A 41 -0.222 11.838 -1.919 1.00 0.00 H new ATOM 0 HA LEU A 41 2.578 12.415 -1.164 1.00 0.00 H new ATOM 0 HB2 LEU A 41 1.074 9.826 -1.191 1.00 0.00 H new ATOM 0 HB3 LEU A 41 2.713 9.806 -1.810 1.00 0.00 H new ATOM 0 HG LEU A 41 2.681 9.142 0.517 1.00 0.00 H new ATOM 0 HD11 LEU A 41 4.307 10.752 1.428 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.637 10.372 -0.280 1.00 0.00 H new ATOM 0 HD13 LEU A 41 3.861 11.914 0.155 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.997 10.711 2.292 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.460 11.871 1.054 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.640 10.299 1.217 1.00 0.00 H new ATOM 623 N ASN A 42 3.363 12.091 -3.532 1.00 0.00 N ATOM 624 CA ASN A 42 3.744 12.161 -4.937 1.00 0.00 C ATOM 625 C ASN A 42 4.086 10.776 -5.478 1.00 0.00 C ATOM 626 O ASN A 42 5.027 10.615 -6.256 1.00 0.00 O ATOM 627 CB ASN A 42 4.938 13.100 -5.117 1.00 0.00 C ATOM 628 CG ASN A 42 4.573 14.552 -4.878 1.00 0.00 C ATOM 629 OD1 ASN A 42 3.672 15.091 -5.521 1.00 0.00 O ATOM 630 ND2 ASN A 42 5.273 15.194 -3.950 1.00 0.00 N ATOM 0 H ASN A 42 4.124 12.278 -2.879 1.00 0.00 H new ATOM 0 HA ASN A 42 2.895 12.551 -5.499 1.00 0.00 H new ATOM 0 HB2 ASN A 42 5.732 12.810 -4.429 1.00 0.00 H new ATOM 0 HB3 ASN A 42 5.335 12.989 -6.126 1.00 0.00 H new ATOM 0 HD21 ASN A 42 5.072 16.173 -3.746 1.00 0.00 H new ATOM 0 HD22 ASN A 42 6.011 14.708 -3.441 1.00 0.00 H new ATOM 637 N LYS A 43 3.315 9.777 -5.061 1.00 0.00 N ATOM 638 CA LYS A 43 3.533 8.405 -5.504 1.00 0.00 C ATOM 639 C LYS A 43 2.422 7.488 -5.002 1.00 0.00 C ATOM 640 O LYS A 43 1.772 7.779 -3.999 1.00 0.00 O ATOM 641 CB LYS A 43 4.889 7.898 -5.011 1.00 0.00 C ATOM 642 CG LYS A 43 5.533 6.882 -5.938 1.00 0.00 C ATOM 643 CD LYS A 43 6.809 6.311 -5.341 1.00 0.00 C ATOM 644 CE LYS A 43 7.757 5.816 -6.421 1.00 0.00 C ATOM 645 NZ LYS A 43 8.419 6.941 -7.136 1.00 0.00 N ATOM 0 H LYS A 43 2.533 9.892 -4.416 1.00 0.00 H new ATOM 0 HA LYS A 43 3.523 8.396 -6.594 1.00 0.00 H new ATOM 0 HB2 LYS A 43 5.563 8.746 -4.891 1.00 0.00 H new ATOM 0 HB3 LYS A 43 4.763 7.449 -4.026 1.00 0.00 H new ATOM 0 HG2 LYS A 43 4.830 6.073 -6.137 1.00 0.00 H new ATOM 0 HG3 LYS A 43 5.757 7.353 -6.895 1.00 0.00 H new ATOM 0 HD2 LYS A 43 7.305 7.075 -4.742 1.00 0.00 H new ATOM 0 HD3 LYS A 43 6.561 5.490 -4.669 1.00 0.00 H new ATOM 0 HE2 LYS A 43 8.515 5.175 -5.972 1.00 0.00 H new ATOM 0 HE3 LYS A 43 7.206 5.205 -7.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 9.210 6.574 -7.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 7.731 7.408 -7.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 8.779 7.628 -6.444 1.00 0.00 H new ATOM 659 N GLN A 44 2.212 6.381 -5.706 1.00 0.00 N ATOM 660 CA GLN A 44 1.180 5.422 -5.330 1.00 0.00 C ATOM 661 C GLN A 44 1.618 4.596 -4.125 1.00 0.00 C ATOM 662 O GLN A 44 2.809 4.385 -3.903 1.00 0.00 O ATOM 663 CB GLN A 44 0.859 4.498 -6.507 1.00 0.00 C ATOM 664 CG GLN A 44 2.062 3.717 -7.013 1.00 0.00 C ATOM 665 CD GLN A 44 1.868 3.197 -8.423 1.00 0.00 C ATOM 666 OE1 GLN A 44 2.341 3.798 -9.390 1.00 0.00 O ATOM 667 NE2 GLN A 44 1.170 2.075 -8.550 1.00 0.00 N ATOM 0 H GLN A 44 2.742 6.126 -6.539 1.00 0.00 H new ATOM 0 HA GLN A 44 0.283 5.979 -5.059 1.00 0.00 H new ATOM 0 HB2 GLN A 44 0.081 3.796 -6.206 1.00 0.00 H new ATOM 0 HB3 GLN A 44 0.452 5.093 -7.325 1.00 0.00 H new ATOM 0 HG2 GLN A 44 2.944 4.357 -6.984 1.00 0.00 H new ATOM 0 HG3 GLN A 44 2.254 2.878 -6.344 1.00 0.00 H new ATOM 0 HE21 GLN A 44 0.797 1.610 -7.722 1.00 0.00 H new ATOM 0 HE22 GLN A 44 1.007 1.678 -9.475 1.00 0.00 H new ATOM 676 N GLY A 45 0.645 4.130 -3.347 1.00 0.00 N ATOM 677 CA GLY A 45 0.949 3.333 -2.174 1.00 0.00 C ATOM 678 C GLY A 45 1.050 1.854 -2.488 1.00 0.00 C ATOM 679 O GLY A 45 1.574 1.467 -3.533 1.00 0.00 O ATOM 0 H GLY A 45 -0.349 4.291 -3.509 1.00 0.00 H new ATOM 0 HA2 GLY A 45 1.889 3.674 -1.740 1.00 0.00 H new ATOM 0 HA3 GLY A 45 0.176 3.490 -1.422 1.00 0.00 H new ATOM 683 N TYR A 46 0.547 1.023 -1.581 1.00 0.00 N ATOM 684 CA TYR A 46 0.586 -0.423 -1.764 1.00 0.00 C ATOM 685 C TYR A 46 -0.702 -1.070 -1.263 1.00 0.00 C ATOM 686 O TYR A 46 -1.281 -0.640 -0.266 1.00 0.00 O ATOM 687 CB TYR A 46 1.788 -1.019 -1.031 1.00 0.00 C ATOM 688 CG TYR A 46 3.119 -0.625 -1.632 1.00 0.00 C ATOM 689 CD1 TYR A 46 3.305 -0.607 -3.009 1.00 0.00 C ATOM 690 CD2 TYR A 46 4.191 -0.271 -0.822 1.00 0.00 C ATOM 691 CE1 TYR A 46 4.519 -0.248 -3.561 1.00 0.00 C ATOM 692 CE2 TYR A 46 5.408 0.091 -1.365 1.00 0.00 C ATOM 693 CZ TYR A 46 5.568 0.101 -2.735 1.00 0.00 C ATOM 694 OH TYR A 46 6.779 0.459 -3.282 1.00 0.00 O ATOM 0 H TYR A 46 0.108 1.326 -0.712 1.00 0.00 H new ATOM 0 HA TYR A 46 0.683 -0.626 -2.831 1.00 0.00 H new ATOM 0 HB2 TYR A 46 1.761 -0.702 0.011 1.00 0.00 H new ATOM 0 HB3 TYR A 46 1.704 -2.106 -1.036 1.00 0.00 H new ATOM 0 HD1 TYR A 46 2.486 -0.878 -3.659 1.00 0.00 H new ATOM 0 HD2 TYR A 46 4.070 -0.279 0.251 1.00 0.00 H new ATOM 0 HE1 TYR A 46 4.647 -0.240 -4.633 1.00 0.00 H new ATOM 0 HE2 TYR A 46 6.230 0.365 -0.720 1.00 0.00 H new ATOM 0 HH TYR A 46 6.633 0.870 -4.159 1.00 0.00 H new ATOM 704 N LYS A 47 -1.145 -2.109 -1.962 1.00 0.00 N ATOM 705 CA LYS A 47 -2.361 -2.820 -1.589 1.00 0.00 C ATOM 706 C LYS A 47 -2.247 -4.305 -1.918 1.00 0.00 C ATOM 707 O LYS A 47 -2.017 -4.682 -3.068 1.00 0.00 O ATOM 708 CB LYS A 47 -3.569 -2.220 -2.312 1.00 0.00 C ATOM 709 CG LYS A 47 -4.846 -3.025 -2.138 1.00 0.00 C ATOM 710 CD LYS A 47 -6.080 -2.170 -2.368 1.00 0.00 C ATOM 711 CE LYS A 47 -7.303 -2.761 -1.684 1.00 0.00 C ATOM 712 NZ LYS A 47 -7.186 -2.715 -0.201 1.00 0.00 N ATOM 0 H LYS A 47 -0.679 -2.478 -2.791 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.498 -2.713 -0.513 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -3.735 -1.207 -1.944 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.342 -2.140 -3.375 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.847 -3.862 -2.836 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -4.877 -3.447 -1.134 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -5.902 -1.163 -1.991 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -6.268 -2.081 -3.438 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -8.193 -2.214 -1.995 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -7.435 -3.794 -2.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -8.016 -3.173 0.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -6.324 -3.215 0.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -7.137 -1.725 0.113 1.00 0.00 H new ATOM 726 N CYS A 48 -2.411 -5.146 -0.901 1.00 0.00 N ATOM 727 CA CYS A 48 -2.326 -6.591 -1.082 1.00 0.00 C ATOM 728 C CYS A 48 -3.553 -7.119 -1.819 1.00 0.00 C ATOM 729 O CYS A 48 -4.684 -6.950 -1.362 1.00 0.00 O ATOM 730 CB CYS A 48 -2.192 -7.288 0.274 1.00 0.00 C ATOM 731 SG CYS A 48 -1.593 -9.005 0.171 1.00 0.00 S ATOM 0 H CYS A 48 -2.603 -4.852 0.056 1.00 0.00 H new ATOM 0 HA CYS A 48 -1.442 -6.807 -1.683 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -1.509 -6.713 0.900 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -3.162 -7.282 0.771 1.00 0.00 H new ATOM 736 N ARG A 49 -3.320 -7.759 -2.960 1.00 0.00 N ATOM 737 CA ARG A 49 -4.406 -8.311 -3.761 1.00 0.00 C ATOM 738 C ARG A 49 -4.930 -9.606 -3.147 1.00 0.00 C ATOM 739 O ARG A 49 -5.732 -10.313 -3.756 1.00 0.00 O ATOM 740 CB ARG A 49 -3.933 -8.569 -5.193 1.00 0.00 C ATOM 741 CG ARG A 49 -2.555 -9.207 -5.273 1.00 0.00 C ATOM 742 CD ARG A 49 -2.372 -9.975 -6.574 1.00 0.00 C ATOM 743 NE ARG A 49 -3.287 -11.109 -6.673 1.00 0.00 N ATOM 744 CZ ARG A 49 -3.360 -11.903 -7.735 1.00 0.00 C ATOM 745 NH1 ARG A 49 -2.577 -11.687 -8.783 1.00 0.00 N ATOM 746 NH2 ARG A 49 -4.219 -12.914 -7.752 1.00 0.00 N ATOM 0 H ARG A 49 -2.390 -7.908 -3.350 1.00 0.00 H new ATOM 0 HA ARG A 49 -5.217 -7.583 -3.779 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -4.653 -9.216 -5.694 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -3.919 -7.625 -5.738 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -1.790 -8.435 -5.194 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -2.415 -9.881 -4.428 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -2.534 -9.304 -7.417 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -1.344 -10.331 -6.643 1.00 0.00 H new ATOM 0 HE ARG A 49 -3.903 -11.302 -5.884 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -1.917 -10.910 -8.775 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -2.635 -12.298 -9.597 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -4.825 -13.082 -6.949 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -4.274 -13.523 -8.568 1.00 0.00 H new ATOM 760 N GLN A 50 -4.470 -9.911 -1.938 1.00 0.00 N ATOM 761 CA GLN A 50 -4.891 -11.121 -1.243 1.00 0.00 C ATOM 762 C GLN A 50 -5.804 -10.785 -0.068 1.00 0.00 C ATOM 763 O GLN A 50 -6.989 -11.117 -0.074 1.00 0.00 O ATOM 764 CB GLN A 50 -3.672 -11.901 -0.749 1.00 0.00 C ATOM 765 CG GLN A 50 -2.687 -12.254 -1.852 1.00 0.00 C ATOM 766 CD GLN A 50 -1.950 -13.551 -1.583 1.00 0.00 C ATOM 767 OE1 GLN A 50 -2.054 -14.509 -2.351 1.00 0.00 O ATOM 768 NE2 GLN A 50 -1.198 -13.590 -0.490 1.00 0.00 N ATOM 0 H GLN A 50 -3.806 -9.336 -1.420 1.00 0.00 H new ATOM 0 HA GLN A 50 -5.448 -11.739 -1.948 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -3.158 -11.312 0.011 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -4.009 -12.819 -0.267 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -3.221 -12.334 -2.799 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -1.964 -11.446 -1.961 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -1.140 -12.774 0.119 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -0.678 -14.436 -0.259 1.00 0.00 H new ATOM 777 N CYS A 51 -5.244 -10.122 0.939 1.00 0.00 N ATOM 778 CA CYS A 51 -6.007 -9.741 2.122 1.00 0.00 C ATOM 779 C CYS A 51 -6.659 -8.374 1.931 1.00 0.00 C ATOM 780 O CYS A 51 -7.519 -7.971 2.713 1.00 0.00 O ATOM 781 CB CYS A 51 -5.100 -9.719 3.354 1.00 0.00 C ATOM 782 SG CYS A 51 -3.563 -8.767 3.128 1.00 0.00 S ATOM 0 H CYS A 51 -4.265 -9.838 0.959 1.00 0.00 H new ATOM 0 HA CYS A 51 -6.793 -10.481 2.272 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -5.655 -9.299 4.193 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -4.844 -10.744 3.622 1.00 0.00 H new ATOM 787 N ASN A 52 -6.243 -7.667 0.885 1.00 0.00 N ATOM 788 CA ASN A 52 -6.784 -6.346 0.592 1.00 0.00 C ATOM 789 C ASN A 52 -6.382 -5.341 1.667 1.00 0.00 C ATOM 790 O ASN A 52 -7.223 -4.623 2.207 1.00 0.00 O ATOM 791 CB ASN A 52 -8.309 -6.410 0.483 1.00 0.00 C ATOM 792 CG ASN A 52 -8.789 -7.696 -0.162 1.00 0.00 C ATOM 793 OD1 ASN A 52 -9.237 -8.617 0.521 1.00 0.00 O ATOM 794 ND2 ASN A 52 -8.697 -7.764 -1.485 1.00 0.00 N ATOM 0 H ASN A 52 -5.533 -7.987 0.227 1.00 0.00 H new ATOM 0 HA ASN A 52 -6.371 -6.015 -0.361 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -8.746 -6.321 1.478 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -8.665 -5.560 -0.099 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -9.004 -8.604 -1.975 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -8.319 -6.976 -2.011 1.00 0.00 H new ATOM 801 N ALA A 53 -5.090 -5.296 1.973 1.00 0.00 N ATOM 802 CA ALA A 53 -4.575 -4.378 2.982 1.00 0.00 C ATOM 803 C ALA A 53 -3.791 -3.239 2.339 1.00 0.00 C ATOM 804 O ALA A 53 -2.645 -3.417 1.927 1.00 0.00 O ATOM 805 CB ALA A 53 -3.702 -5.125 3.979 1.00 0.00 C ATOM 0 H ALA A 53 -4.380 -5.885 1.537 1.00 0.00 H new ATOM 0 HA ALA A 53 -5.424 -3.946 3.512 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -3.324 -4.427 4.726 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -4.291 -5.899 4.470 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -2.864 -5.585 3.456 1.00 0.00 H new ATOM 811 N ALA A 54 -4.417 -2.070 2.254 1.00 0.00 N ATOM 812 CA ALA A 54 -3.777 -0.902 1.662 1.00 0.00 C ATOM 813 C ALA A 54 -2.914 -0.171 2.684 1.00 0.00 C ATOM 814 O ALA A 54 -3.397 0.233 3.742 1.00 0.00 O ATOM 815 CB ALA A 54 -4.825 0.038 1.086 1.00 0.00 C ATOM 0 H ALA A 54 -5.367 -1.907 2.588 1.00 0.00 H new ATOM 0 HA ALA A 54 -3.128 -1.244 0.856 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -4.333 0.906 0.647 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -5.397 -0.482 0.318 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -5.497 0.364 1.880 1.00 0.00 H new ATOM 821 N ILE A 55 -1.636 -0.006 2.363 1.00 0.00 N ATOM 822 CA ILE A 55 -0.706 0.675 3.255 1.00 0.00 C ATOM 823 C ILE A 55 0.200 1.628 2.480 1.00 0.00 C ATOM 824 O ILE A 55 0.184 1.653 1.249 1.00 0.00 O ATOM 825 CB ILE A 55 0.167 -0.327 4.032 1.00 0.00 C ATOM 826 CG1 ILE A 55 1.245 -0.913 3.119 1.00 0.00 C ATOM 827 CG2 ILE A 55 -0.695 -1.433 4.622 1.00 0.00 C ATOM 828 CD1 ILE A 55 2.278 -1.738 3.856 1.00 0.00 C ATOM 0 H ILE A 55 -1.220 -0.335 1.491 1.00 0.00 H new ATOM 0 HA ILE A 55 -1.308 1.244 3.964 1.00 0.00 H new ATOM 0 HB ILE A 55 0.659 0.199 4.850 1.00 0.00 H new ATOM 0 HG12 ILE A 55 0.769 -1.535 2.361 1.00 0.00 H new ATOM 0 HG13 ILE A 55 1.747 -0.100 2.595 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -0.064 -2.134 5.168 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -1.428 -0.999 5.302 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -1.211 -1.959 3.819 1.00 0.00 H new ATOM 0 HD11 ILE A 55 3.011 -2.122 3.146 1.00 0.00 H new ATOM 0 HD12 ILE A 55 2.781 -1.115 4.596 1.00 0.00 H new ATOM 0 HD13 ILE A 55 1.787 -2.572 4.358 1.00 0.00 H new ATOM 840 N HIS A 56 0.991 2.408 3.209 1.00 0.00 N ATOM 841 CA HIS A 56 1.907 3.360 2.592 1.00 0.00 C ATOM 842 C HIS A 56 3.200 2.671 2.164 1.00 0.00 C ATOM 843 O HIS A 56 3.584 1.645 2.725 1.00 0.00 O ATOM 844 CB HIS A 56 2.219 4.501 3.559 1.00 0.00 C ATOM 845 CG HIS A 56 1.028 5.346 3.895 1.00 0.00 C ATOM 846 ND1 HIS A 56 0.097 4.988 4.848 1.00 0.00 N ATOM 847 CD2 HIS A 56 0.619 6.536 3.400 1.00 0.00 C ATOM 848 CE1 HIS A 56 -0.833 5.923 4.922 1.00 0.00 C ATOM 849 NE2 HIS A 56 -0.539 6.874 4.054 1.00 0.00 N ATOM 0 H HIS A 56 1.016 2.399 4.229 1.00 0.00 H new ATOM 0 HA HIS A 56 1.423 3.769 1.705 1.00 0.00 H new ATOM 0 HB2 HIS A 56 2.629 4.084 4.479 1.00 0.00 H new ATOM 0 HB3 HIS A 56 2.992 5.134 3.123 1.00 0.00 H new ATOM 0 HD2 HIS A 56 1.112 7.113 2.632 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -1.689 5.912 5.581 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -1.084 7.722 3.896 1.00 0.00 H new ATOM 857 N LYS A 57 3.867 3.242 1.167 1.00 0.00 N ATOM 858 CA LYS A 57 5.116 2.686 0.664 1.00 0.00 C ATOM 859 C LYS A 57 6.137 2.535 1.788 1.00 0.00 C ATOM 860 O LYS A 57 7.023 1.683 1.725 1.00 0.00 O ATOM 861 CB LYS A 57 5.688 3.577 -0.442 1.00 0.00 C ATOM 862 CG LYS A 57 6.695 2.870 -1.333 1.00 0.00 C ATOM 863 CD LYS A 57 7.686 3.849 -1.939 1.00 0.00 C ATOM 864 CE LYS A 57 8.794 3.127 -2.691 1.00 0.00 C ATOM 865 NZ LYS A 57 9.438 4.004 -3.707 1.00 0.00 N ATOM 0 H LYS A 57 3.562 4.091 0.691 1.00 0.00 H new ATOM 0 HA LYS A 57 4.904 1.699 0.253 1.00 0.00 H new ATOM 0 HB2 LYS A 57 4.869 3.949 -1.058 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.165 4.445 0.013 1.00 0.00 H new ATOM 0 HG2 LYS A 57 7.232 2.119 -0.753 1.00 0.00 H new ATOM 0 HG3 LYS A 57 6.170 2.342 -2.129 1.00 0.00 H new ATOM 0 HD2 LYS A 57 7.164 4.524 -2.618 1.00 0.00 H new ATOM 0 HD3 LYS A 57 8.121 4.463 -1.151 1.00 0.00 H new ATOM 0 HE2 LYS A 57 9.546 2.779 -1.983 1.00 0.00 H new ATOM 0 HE3 LYS A 57 8.384 2.244 -3.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 9.537 3.484 -4.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 8.850 4.848 -3.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 10.378 4.294 -3.370 1.00 0.00 H new ATOM 879 N LYS A 58 6.004 3.365 2.816 1.00 0.00 N ATOM 880 CA LYS A 58 6.913 3.324 3.956 1.00 0.00 C ATOM 881 C LYS A 58 6.364 2.420 5.055 1.00 0.00 C ATOM 882 O LYS A 58 7.122 1.846 5.837 1.00 0.00 O ATOM 883 CB LYS A 58 7.139 4.734 4.505 1.00 0.00 C ATOM 884 CG LYS A 58 5.867 5.414 4.979 1.00 0.00 C ATOM 885 CD LYS A 58 6.171 6.635 5.830 1.00 0.00 C ATOM 886 CE LYS A 58 5.031 6.944 6.790 1.00 0.00 C ATOM 887 NZ LYS A 58 5.499 7.710 7.979 1.00 0.00 N ATOM 0 H LYS A 58 5.275 4.075 2.884 1.00 0.00 H new ATOM 0 HA LYS A 58 7.865 2.917 3.616 1.00 0.00 H new ATOM 0 HB2 LYS A 58 7.844 4.683 5.335 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.601 5.346 3.731 1.00 0.00 H new ATOM 0 HG2 LYS A 58 5.269 5.710 4.117 1.00 0.00 H new ATOM 0 HG3 LYS A 58 5.269 4.708 5.555 1.00 0.00 H new ATOM 0 HD2 LYS A 58 7.088 6.467 6.395 1.00 0.00 H new ATOM 0 HD3 LYS A 58 6.347 7.495 5.184 1.00 0.00 H new ATOM 0 HE2 LYS A 58 4.263 7.515 6.269 1.00 0.00 H new ATOM 0 HE3 LYS A 58 4.569 6.012 7.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 4.693 7.901 8.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 6.214 7.154 8.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 5.917 8.611 7.669 1.00 0.00 H new ATOM 901 N CYS A 59 5.041 2.298 5.109 1.00 0.00 N ATOM 902 CA CYS A 59 4.390 1.463 6.112 1.00 0.00 C ATOM 903 C CYS A 59 4.676 -0.014 5.858 1.00 0.00 C ATOM 904 O CYS A 59 4.448 -0.858 6.726 1.00 0.00 O ATOM 905 CB CYS A 59 2.881 1.711 6.110 1.00 0.00 C ATOM 906 SG CYS A 59 2.357 3.120 7.138 1.00 0.00 S ATOM 0 H CYS A 59 4.399 2.767 4.470 1.00 0.00 H new ATOM 0 HA CYS A 59 4.793 1.730 7.089 1.00 0.00 H new ATOM 0 HB2 CYS A 59 2.553 1.882 5.085 1.00 0.00 H new ATOM 0 HB3 CYS A 59 2.375 0.811 6.461 1.00 0.00 H new ATOM 911 N ILE A 60 5.174 -0.319 4.664 1.00 0.00 N ATOM 912 CA ILE A 60 5.491 -1.694 4.298 1.00 0.00 C ATOM 913 C ILE A 60 6.599 -2.256 5.180 1.00 0.00 C ATOM 914 O ILE A 60 6.541 -3.410 5.608 1.00 0.00 O ATOM 915 CB ILE A 60 5.922 -1.796 2.823 1.00 0.00 C ATOM 916 CG1 ILE A 60 5.546 -3.166 2.253 1.00 0.00 C ATOM 917 CG2 ILE A 60 7.419 -1.555 2.691 1.00 0.00 C ATOM 918 CD1 ILE A 60 5.819 -3.301 0.772 1.00 0.00 C ATOM 0 H ILE A 60 5.366 0.367 3.934 1.00 0.00 H new ATOM 0 HA ILE A 60 4.583 -2.278 4.445 1.00 0.00 H new ATOM 0 HB ILE A 60 5.398 -1.029 2.253 1.00 0.00 H new ATOM 0 HG12 ILE A 60 6.100 -3.937 2.788 1.00 0.00 H new ATOM 0 HG13 ILE A 60 4.487 -3.349 2.437 1.00 0.00 H new ATOM 0 HG21 ILE A 60 7.709 -1.630 1.643 1.00 0.00 H new ATOM 0 HG22 ILE A 60 7.662 -0.560 3.064 1.00 0.00 H new ATOM 0 HG23 ILE A 60 7.960 -2.302 3.272 1.00 0.00 H new ATOM 0 HD11 ILE A 60 5.528 -4.297 0.438 1.00 0.00 H new ATOM 0 HD12 ILE A 60 5.244 -2.553 0.226 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.882 -3.151 0.583 1.00 0.00 H new ATOM 930 N ASP A 61 7.607 -1.435 5.453 1.00 0.00 N ATOM 931 CA ASP A 61 8.728 -1.850 6.288 1.00 0.00 C ATOM 932 C ASP A 61 8.376 -1.730 7.767 1.00 0.00 C ATOM 933 O ASP A 61 9.225 -1.928 8.636 1.00 0.00 O ATOM 934 CB ASP A 61 9.964 -1.005 5.975 1.00 0.00 C ATOM 935 CG ASP A 61 10.434 -1.175 4.544 1.00 0.00 C ATOM 936 OD1 ASP A 61 10.563 -2.332 4.095 1.00 0.00 O ATOM 937 OD2 ASP A 61 10.672 -0.148 3.873 1.00 0.00 O ATOM 0 H ASP A 61 7.671 -0.477 5.108 1.00 0.00 H new ATOM 0 HA ASP A 61 8.947 -2.895 6.068 1.00 0.00 H new ATOM 0 HB2 ASP A 61 9.738 0.046 6.158 1.00 0.00 H new ATOM 0 HB3 ASP A 61 10.771 -1.281 6.654 1.00 0.00 H new ATOM 942 N LYS A 62 7.119 -1.404 8.047 1.00 0.00 N ATOM 943 CA LYS A 62 6.653 -1.259 9.421 1.00 0.00 C ATOM 944 C LYS A 62 5.738 -2.416 9.811 1.00 0.00 C ATOM 945 O LYS A 62 5.720 -2.842 10.966 1.00 0.00 O ATOM 946 CB LYS A 62 5.913 0.070 9.592 1.00 0.00 C ATOM 947 CG LYS A 62 6.781 1.287 9.324 1.00 0.00 C ATOM 948 CD LYS A 62 7.753 1.542 10.465 1.00 0.00 C ATOM 949 CE LYS A 62 7.077 2.259 11.623 1.00 0.00 C ATOM 950 NZ LYS A 62 8.032 2.548 12.730 1.00 0.00 N ATOM 0 H LYS A 62 6.404 -1.235 7.340 1.00 0.00 H new ATOM 0 HA LYS A 62 7.524 -1.271 10.077 1.00 0.00 H new ATOM 0 HB2 LYS A 62 5.057 0.089 8.918 1.00 0.00 H new ATOM 0 HB3 LYS A 62 5.521 0.130 10.607 1.00 0.00 H new ATOM 0 HG2 LYS A 62 7.336 1.142 8.397 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.148 2.163 9.182 1.00 0.00 H new ATOM 0 HD2 LYS A 62 8.164 0.594 10.813 1.00 0.00 H new ATOM 0 HD3 LYS A 62 8.590 2.140 10.104 1.00 0.00 H new ATOM 0 HE2 LYS A 62 6.640 3.192 11.267 1.00 0.00 H new ATOM 0 HE3 LYS A 62 6.258 1.647 12.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 7.533 3.037 13.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 8.430 1.656 13.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 8.801 3.153 12.376 1.00 0.00 H new ATOM 964 N ILE A 63 4.984 -2.920 8.841 1.00 0.00 N ATOM 965 CA ILE A 63 4.069 -4.029 9.083 1.00 0.00 C ATOM 966 C ILE A 63 4.620 -4.974 10.145 1.00 0.00 C ATOM 967 O ILE A 63 5.832 -5.167 10.252 1.00 0.00 O ATOM 968 CB ILE A 63 3.798 -4.827 7.794 1.00 0.00 C ATOM 969 CG1 ILE A 63 3.034 -3.966 6.786 1.00 0.00 C ATOM 970 CG2 ILE A 63 3.022 -6.097 8.110 1.00 0.00 C ATOM 971 CD1 ILE A 63 2.813 -4.648 5.454 1.00 0.00 C ATOM 0 H ILE A 63 4.988 -2.578 7.880 1.00 0.00 H new ATOM 0 HA ILE A 63 3.133 -3.595 9.436 1.00 0.00 H new ATOM 0 HB ILE A 63 4.753 -5.109 7.352 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.068 -3.695 7.211 1.00 0.00 H new ATOM 0 HG13 ILE A 63 3.583 -3.038 6.623 1.00 0.00 H new ATOM 0 HG21 ILE A 63 2.838 -6.650 7.189 1.00 0.00 H new ATOM 0 HG22 ILE A 63 3.601 -6.716 8.795 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.070 -5.836 8.573 1.00 0.00 H new ATOM 0 HD11 ILE A 63 2.266 -3.980 4.789 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.776 -4.895 5.007 1.00 0.00 H new ATOM 0 HD13 ILE A 63 2.238 -5.562 5.604 1.00 0.00 H new ATOM 983 N ILE A 64 3.723 -5.561 10.930 1.00 0.00 N ATOM 984 CA ILE A 64 4.119 -6.488 11.983 1.00 0.00 C ATOM 985 C ILE A 64 3.282 -7.763 11.937 1.00 0.00 C ATOM 986 O ILE A 64 2.388 -7.961 12.758 1.00 0.00 O ATOM 987 CB ILE A 64 3.983 -5.848 13.377 1.00 0.00 C ATOM 988 CG1 ILE A 64 4.873 -4.608 13.481 1.00 0.00 C ATOM 989 CG2 ILE A 64 4.340 -6.857 14.459 1.00 0.00 C ATOM 990 CD1 ILE A 64 4.436 -3.640 14.557 1.00 0.00 C ATOM 0 H ILE A 64 2.717 -5.411 10.857 1.00 0.00 H new ATOM 0 HA ILE A 64 5.166 -6.737 11.807 1.00 0.00 H new ATOM 0 HB ILE A 64 2.947 -5.541 13.522 1.00 0.00 H new ATOM 0 HG12 ILE A 64 5.898 -4.922 13.680 1.00 0.00 H new ATOM 0 HG13 ILE A 64 4.878 -4.093 12.520 1.00 0.00 H new ATOM 0 HG21 ILE A 64 4.239 -6.391 15.439 1.00 0.00 H new ATOM 0 HG22 ILE A 64 3.669 -7.713 14.394 1.00 0.00 H new ATOM 0 HG23 ILE A 64 5.368 -7.191 14.320 1.00 0.00 H new ATOM 0 HD11 ILE A 64 5.112 -2.785 14.574 1.00 0.00 H new ATOM 0 HD12 ILE A 64 3.423 -3.297 14.348 1.00 0.00 H new ATOM 0 HD13 ILE A 64 4.458 -4.139 15.526 1.00 0.00 H new ATOM 1002 N GLY A 65 3.580 -8.626 10.969 1.00 0.00 N ATOM 1003 CA GLY A 65 2.847 -9.872 10.835 1.00 0.00 C ATOM 1004 C GLY A 65 2.881 -10.414 9.420 1.00 0.00 C ATOM 1005 O GLY A 65 3.346 -9.740 8.501 1.00 0.00 O ATOM 0 H GLY A 65 4.315 -8.484 10.276 1.00 0.00 H new ATOM 0 HA2 GLY A 65 3.268 -10.613 11.515 1.00 0.00 H new ATOM 0 HA3 GLY A 65 1.811 -9.715 11.136 1.00 0.00 H new ATOM 1009 N ARG A 66 2.389 -11.636 9.245 1.00 0.00 N ATOM 1010 CA ARG A 66 2.368 -12.270 7.933 1.00 0.00 C ATOM 1011 C ARG A 66 1.039 -12.015 7.228 1.00 0.00 C ATOM 1012 O ARG A 66 0.157 -11.345 7.765 1.00 0.00 O ATOM 1013 CB ARG A 66 2.606 -13.776 8.066 1.00 0.00 C ATOM 1014 CG ARG A 66 3.987 -14.130 8.592 1.00 0.00 C ATOM 1015 CD ARG A 66 3.992 -14.253 10.107 1.00 0.00 C ATOM 1016 NE ARG A 66 4.360 -12.998 10.758 1.00 0.00 N ATOM 1017 CZ ARG A 66 5.616 -12.625 10.977 1.00 0.00 C ATOM 1018 NH1 ARG A 66 6.618 -13.407 10.600 1.00 0.00 N ATOM 1019 NH2 ARG A 66 5.872 -11.469 11.575 1.00 0.00 N ATOM 0 H ARG A 66 2.000 -12.207 9.996 1.00 0.00 H new ATOM 0 HA ARG A 66 3.168 -11.834 7.334 1.00 0.00 H new ATOM 0 HB2 ARG A 66 1.854 -14.197 8.733 1.00 0.00 H new ATOM 0 HB3 ARG A 66 2.466 -14.245 7.092 1.00 0.00 H new ATOM 0 HG2 ARG A 66 4.316 -15.070 8.149 1.00 0.00 H new ATOM 0 HG3 ARG A 66 4.701 -13.366 8.286 1.00 0.00 H new ATOM 0 HD2 ARG A 66 3.004 -14.562 10.449 1.00 0.00 H new ATOM 0 HD3 ARG A 66 4.691 -15.034 10.405 1.00 0.00 H new ATOM 0 HE ARG A 66 3.612 -12.374 11.061 1.00 0.00 H new ATOM 0 HH11 ARG A 66 6.425 -14.297 10.141 1.00 0.00 H new ATOM 0 HH12 ARG A 66 7.582 -13.118 10.769 1.00 0.00 H new ATOM 0 HH21 ARG A 66 5.104 -10.865 11.867 1.00 0.00 H new ATOM 0 HH22 ARG A 66 6.837 -11.184 11.742 1.00 0.00 H new ATOM 1033 N CYS A 67 0.902 -12.554 6.021 1.00 0.00 N ATOM 1034 CA CYS A 67 -0.317 -12.385 5.241 1.00 0.00 C ATOM 1035 C CYS A 67 -1.338 -13.467 5.583 1.00 0.00 C ATOM 1036 O CYS A 67 -0.996 -14.646 5.692 1.00 0.00 O ATOM 1037 CB CYS A 67 0.000 -12.423 3.744 1.00 0.00 C ATOM 1038 SG CYS A 67 -1.431 -12.072 2.673 1.00 0.00 S ATOM 0 H CYS A 67 1.622 -13.112 5.562 1.00 0.00 H new ATOM 0 HA CYS A 67 -0.745 -11.414 5.491 1.00 0.00 H new ATOM 0 HB2 CYS A 67 0.786 -11.698 3.531 1.00 0.00 H new ATOM 0 HB3 CYS A 67 0.396 -13.407 3.492 1.00 0.00 H new ATOM 1043 N THR A 68 -2.591 -13.058 5.753 1.00 0.00 N ATOM 1044 CA THR A 68 -3.661 -13.992 6.085 1.00 0.00 C ATOM 1045 C THR A 68 -4.827 -13.860 5.113 1.00 0.00 C ATOM 1046 O THR A 68 -5.989 -13.937 5.507 1.00 0.00 O ATOM 1047 CB THR A 68 -4.176 -13.770 7.520 1.00 0.00 C ATOM 1048 OG1 THR A 68 -4.746 -12.461 7.638 1.00 0.00 O ATOM 1049 CG2 THR A 68 -3.049 -13.930 8.530 1.00 0.00 C ATOM 0 H THR A 68 -2.890 -12.087 5.666 1.00 0.00 H new ATOM 0 HA THR A 68 -3.240 -14.995 6.009 1.00 0.00 H new ATOM 0 HB THR A 68 -4.939 -14.519 7.729 1.00 0.00 H new ATOM 0 HG1 THR A 68 -5.073 -12.328 8.552 1.00 0.00 H new ATOM 0 HG21 THR A 68 -3.436 -13.769 9.536 1.00 0.00 H new ATOM 0 HG22 THR A 68 -2.635 -14.936 8.457 1.00 0.00 H new ATOM 0 HG23 THR A 68 -2.267 -13.200 8.321 1.00 0.00 H new ATOM 1057 N GLY A 69 -4.508 -13.660 3.837 1.00 0.00 N ATOM 1058 CA GLY A 69 -5.541 -13.520 2.828 1.00 0.00 C ATOM 1059 C GLY A 69 -5.529 -14.657 1.825 1.00 0.00 C ATOM 1060 O GLY A 69 -5.618 -14.432 0.617 1.00 0.00 O ATOM 0 H GLY A 69 -3.553 -13.593 3.485 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -6.516 -13.478 3.314 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -5.406 -12.575 2.303 1.00 0.00 H new ATOM 1064 N THR A 70 -5.417 -15.884 2.324 1.00 0.00 N ATOM 1065 CA THR A 70 -5.390 -17.060 1.465 1.00 0.00 C ATOM 1066 C THR A 70 -6.331 -18.143 1.982 1.00 0.00 C ATOM 1067 O THR A 70 -6.217 -18.581 3.127 1.00 0.00 O ATOM 1068 CB THR A 70 -3.968 -17.643 1.353 1.00 0.00 C ATOM 1069 OG1 THR A 70 -3.436 -17.887 2.659 1.00 0.00 O ATOM 1070 CG2 THR A 70 -3.053 -16.693 0.595 1.00 0.00 C ATOM 0 H THR A 70 -5.343 -16.089 3.321 1.00 0.00 H new ATOM 0 HA THR A 70 -5.721 -16.736 0.478 1.00 0.00 H new ATOM 0 HB THR A 70 -4.025 -18.583 0.803 1.00 0.00 H new ATOM 0 HG1 THR A 70 -4.139 -18.252 3.236 1.00 0.00 H new ATOM 0 HG21 THR A 70 -2.055 -17.125 0.528 1.00 0.00 H new ATOM 0 HG22 THR A 70 -3.447 -16.532 -0.409 1.00 0.00 H new ATOM 0 HG23 THR A 70 -3.001 -15.740 1.122 1.00 0.00 H new ATOM 1078 N ALA A 71 -7.259 -18.569 1.133 1.00 0.00 N ATOM 1079 CA ALA A 71 -8.218 -19.602 1.505 1.00 0.00 C ATOM 1080 C ALA A 71 -7.592 -20.989 1.418 1.00 0.00 C ATOM 1081 O ALA A 71 -7.582 -21.611 0.356 1.00 0.00 O ATOM 1082 CB ALA A 71 -9.452 -19.521 0.618 1.00 0.00 C ATOM 0 H ALA A 71 -7.368 -18.215 0.183 1.00 0.00 H new ATOM 0 HA ALA A 71 -8.516 -19.431 2.539 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -10.159 -20.298 0.907 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -9.920 -18.543 0.734 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -9.162 -19.663 -0.423 1.00 0.00 H new ATOM 1088 N ALA A 72 -7.070 -21.470 2.542 1.00 0.00 N ATOM 1089 CA ALA A 72 -6.442 -22.784 2.592 1.00 0.00 C ATOM 1090 C ALA A 72 -7.246 -23.806 1.794 1.00 0.00 C ATOM 1091 O ALA A 72 -8.448 -23.645 1.593 1.00 0.00 O ATOM 1092 CB ALA A 72 -6.290 -23.241 4.036 1.00 0.00 C ATOM 0 H ALA A 72 -7.070 -20.969 3.430 1.00 0.00 H new ATOM 0 HA ALA A 72 -5.453 -22.705 2.141 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -5.820 -24.224 4.059 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -5.669 -22.529 4.580 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -7.272 -23.298 4.505 1.00 0.00 H new ATOM 1098 N ASN A 73 -6.570 -24.859 1.341 1.00 0.00 N ATOM 1099 CA ASN A 73 -7.222 -25.906 0.564 1.00 0.00 C ATOM 1100 C ASN A 73 -8.287 -26.617 1.394 1.00 0.00 C ATOM 1101 O ASN A 73 -7.973 -27.459 2.236 1.00 0.00 O ATOM 1102 CB ASN A 73 -6.187 -26.918 0.066 1.00 0.00 C ATOM 1103 CG ASN A 73 -5.247 -26.324 -0.965 1.00 0.00 C ATOM 1104 OD1 ASN A 73 -4.698 -25.240 -0.769 1.00 0.00 O ATOM 1105 ND2 ASN A 73 -5.059 -27.033 -2.072 1.00 0.00 N ATOM 0 H ASN A 73 -5.573 -25.008 1.499 1.00 0.00 H new ATOM 0 HA ASN A 73 -7.707 -25.440 -0.293 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -5.607 -27.287 0.912 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -6.701 -27.776 -0.367 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -4.439 -26.684 -2.802 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -5.535 -27.927 -2.192 1.00 0.00 H new ATOM 1112 N SER A 74 -9.547 -26.274 1.149 1.00 0.00 N ATOM 1113 CA SER A 74 -10.659 -26.875 1.876 1.00 0.00 C ATOM 1114 C SER A 74 -10.956 -28.276 1.348 1.00 0.00 C ATOM 1115 O SER A 74 -10.619 -28.609 0.211 1.00 0.00 O ATOM 1116 CB SER A 74 -11.907 -25.998 1.759 1.00 0.00 C ATOM 1117 OG SER A 74 -12.873 -26.356 2.732 1.00 0.00 O ATOM 0 H SER A 74 -9.824 -25.583 0.452 1.00 0.00 H new ATOM 0 HA SER A 74 -10.377 -26.952 2.926 1.00 0.00 H new ATOM 0 HB2 SER A 74 -11.632 -24.950 1.882 1.00 0.00 H new ATOM 0 HB3 SER A 74 -12.335 -26.100 0.762 1.00 0.00 H new ATOM 0 HG SER A 74 -13.661 -25.780 2.638 1.00 0.00 H new ATOM 1123 N ARG A 75 -11.590 -29.093 2.183 1.00 0.00 N ATOM 1124 CA ARG A 75 -11.933 -30.458 1.802 1.00 0.00 C ATOM 1125 C ARG A 75 -12.997 -30.468 0.709 1.00 0.00 C ATOM 1126 O ARG A 75 -14.183 -30.654 0.984 1.00 0.00 O ATOM 1127 CB ARG A 75 -12.430 -31.239 3.020 1.00 0.00 C ATOM 1128 CG ARG A 75 -12.544 -32.736 2.778 1.00 0.00 C ATOM 1129 CD ARG A 75 -12.320 -33.526 4.058 1.00 0.00 C ATOM 1130 NE ARG A 75 -10.972 -33.341 4.586 1.00 0.00 N ATOM 1131 CZ ARG A 75 -10.613 -33.676 5.820 1.00 0.00 C ATOM 1132 NH1 ARG A 75 -11.499 -34.211 6.650 1.00 0.00 N ATOM 1133 NH2 ARG A 75 -9.366 -33.477 6.228 1.00 0.00 N ATOM 0 H ARG A 75 -11.876 -28.834 3.127 1.00 0.00 H new ATOM 0 HA ARG A 75 -11.034 -30.936 1.413 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -11.751 -31.065 3.855 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -13.405 -30.852 3.316 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -13.530 -32.966 2.375 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -11.814 -33.041 2.028 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -13.048 -33.216 4.807 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -12.492 -34.585 3.865 1.00 0.00 H new ATOM 0 HE ARG A 75 -10.267 -32.932 3.973 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -12.459 -34.366 6.341 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -11.221 -34.467 7.597 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -8.681 -33.066 5.593 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -9.092 -33.735 7.176 1.00 0.00 H new ATOM 1147 N ASP A 76 -12.565 -30.265 -0.531 1.00 0.00 N ATOM 1148 CA ASP A 76 -13.480 -30.250 -1.666 1.00 0.00 C ATOM 1149 C ASP A 76 -12.746 -30.584 -2.961 1.00 0.00 C ATOM 1150 O ASP A 76 -11.515 -30.581 -3.008 1.00 0.00 O ATOM 1151 CB ASP A 76 -14.156 -28.883 -1.787 1.00 0.00 C ATOM 1152 CG ASP A 76 -15.247 -28.867 -2.839 1.00 0.00 C ATOM 1153 OD1 ASP A 76 -15.979 -29.873 -2.951 1.00 0.00 O ATOM 1154 OD2 ASP A 76 -15.368 -27.848 -3.551 1.00 0.00 O ATOM 0 H ASP A 76 -11.587 -30.109 -0.775 1.00 0.00 H new ATOM 0 HA ASP A 76 -14.243 -31.010 -1.495 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -14.581 -28.605 -0.823 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -13.407 -28.131 -2.034 1.00 0.00 H new ATOM 1159 N THR A 77 -13.508 -30.874 -4.010 1.00 0.00 N ATOM 1160 CA THR A 77 -12.930 -31.212 -5.304 1.00 0.00 C ATOM 1161 C THR A 77 -11.769 -30.286 -5.647 1.00 0.00 C ATOM 1162 O THR A 77 -11.954 -29.082 -5.825 1.00 0.00 O ATOM 1163 CB THR A 77 -13.983 -31.135 -6.427 1.00 0.00 C ATOM 1164 OG1 THR A 77 -13.374 -31.426 -7.690 1.00 0.00 O ATOM 1165 CG2 THR A 77 -14.624 -29.757 -6.473 1.00 0.00 C ATOM 0 H THR A 77 -14.528 -30.882 -3.989 1.00 0.00 H new ATOM 0 HA THR A 77 -12.564 -32.236 -5.229 1.00 0.00 H new ATOM 0 HB THR A 77 -14.758 -31.872 -6.220 1.00 0.00 H new ATOM 0 HG1 THR A 77 -14.050 -31.377 -8.398 1.00 0.00 H new ATOM 0 HG21 THR A 77 -15.364 -29.726 -7.273 1.00 0.00 H new ATOM 0 HG22 THR A 77 -15.111 -29.550 -5.520 1.00 0.00 H new ATOM 0 HG23 THR A 77 -13.857 -29.005 -6.659 1.00 0.00 H new ATOM 1173 N SER A 78 -10.572 -30.855 -5.739 1.00 0.00 N ATOM 1174 CA SER A 78 -9.379 -30.079 -6.058 1.00 0.00 C ATOM 1175 C SER A 78 -8.168 -30.991 -6.232 1.00 0.00 C ATOM 1176 O SER A 78 -8.206 -32.167 -5.874 1.00 0.00 O ATOM 1177 CB SER A 78 -9.104 -29.052 -4.958 1.00 0.00 C ATOM 1178 OG SER A 78 -9.802 -27.844 -5.202 1.00 0.00 O ATOM 0 H SER A 78 -10.402 -31.851 -5.597 1.00 0.00 H new ATOM 0 HA SER A 78 -9.556 -29.556 -6.998 1.00 0.00 H new ATOM 0 HB2 SER A 78 -9.403 -29.460 -3.992 1.00 0.00 H new ATOM 0 HB3 SER A 78 -8.034 -28.852 -4.902 1.00 0.00 H new ATOM 0 HG SER A 78 -10.765 -28.022 -5.226 1.00 0.00 H new ATOM 1184 N GLY A 79 -7.093 -30.438 -6.786 1.00 0.00 N ATOM 1185 CA GLY A 79 -5.886 -31.213 -6.999 1.00 0.00 C ATOM 1186 C GLY A 79 -5.208 -30.882 -8.314 1.00 0.00 C ATOM 1187 O GLY A 79 -5.508 -31.465 -9.356 1.00 0.00 O ATOM 0 H GLY A 79 -7.037 -29.466 -7.091 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -5.191 -31.030 -6.179 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -6.131 -32.275 -6.978 1.00 0.00 H new ATOM 1191 N PRO A 80 -4.272 -29.922 -8.276 1.00 0.00 N ATOM 1192 CA PRO A 80 -3.531 -29.492 -9.465 1.00 0.00 C ATOM 1193 C PRO A 80 -2.559 -30.557 -9.961 1.00 0.00 C ATOM 1194 O PRO A 80 -2.115 -31.412 -9.193 1.00 0.00 O ATOM 1195 CB PRO A 80 -2.768 -28.257 -8.981 1.00 0.00 C ATOM 1196 CG PRO A 80 -2.626 -28.452 -7.511 1.00 0.00 C ATOM 1197 CD PRO A 80 -3.863 -29.185 -7.069 1.00 0.00 C ATOM 0 HA PRO A 80 -4.194 -29.298 -10.308 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -1.795 -28.178 -9.466 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -3.313 -27.341 -9.208 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -1.729 -29.025 -7.278 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -2.535 -27.495 -6.997 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -3.655 -29.859 -6.238 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -4.640 -28.497 -6.735 1.00 0.00 H new ATOM 1205 N SER A 81 -2.231 -30.501 -11.248 1.00 0.00 N ATOM 1206 CA SER A 81 -1.314 -31.463 -11.846 1.00 0.00 C ATOM 1207 C SER A 81 -0.659 -30.884 -13.097 1.00 0.00 C ATOM 1208 O SER A 81 -0.954 -29.761 -13.502 1.00 0.00 O ATOM 1209 CB SER A 81 -2.054 -32.755 -12.197 1.00 0.00 C ATOM 1210 OG SER A 81 -1.145 -33.793 -12.520 1.00 0.00 O ATOM 0 H SER A 81 -2.587 -29.799 -11.897 1.00 0.00 H new ATOM 0 HA SER A 81 -0.534 -31.685 -11.118 1.00 0.00 H new ATOM 0 HB2 SER A 81 -2.676 -33.061 -11.356 1.00 0.00 H new ATOM 0 HB3 SER A 81 -2.722 -32.577 -13.040 1.00 0.00 H new ATOM 0 HG SER A 81 -1.643 -34.608 -12.739 1.00 0.00 H new ATOM 1216 N SER A 82 0.233 -31.661 -13.703 1.00 0.00 N ATOM 1217 CA SER A 82 0.934 -31.226 -14.905 1.00 0.00 C ATOM 1218 C SER A 82 1.443 -32.423 -15.701 1.00 0.00 C ATOM 1219 O SER A 82 1.292 -33.571 -15.284 1.00 0.00 O ATOM 1220 CB SER A 82 2.104 -30.311 -14.536 1.00 0.00 C ATOM 1221 OG SER A 82 2.517 -29.538 -15.650 1.00 0.00 O ATOM 0 H SER A 82 0.487 -32.595 -13.381 1.00 0.00 H new ATOM 0 HA SER A 82 0.229 -30.672 -15.525 1.00 0.00 H new ATOM 0 HB2 SER A 82 1.810 -29.651 -13.720 1.00 0.00 H new ATOM 0 HB3 SER A 82 2.940 -30.911 -14.176 1.00 0.00 H new ATOM 0 HG SER A 82 3.264 -28.960 -15.388 1.00 0.00 H new ATOM 1227 N GLY A 83 2.047 -32.148 -16.854 1.00 0.00 N ATOM 1228 CA GLY A 83 2.570 -33.212 -17.691 1.00 0.00 C ATOM 1229 C GLY A 83 3.335 -32.684 -18.888 1.00 0.00 C ATOM 1230 O GLY A 83 3.198 -31.505 -19.215 1.00 0.00 O ATOM 0 H GLY A 83 2.183 -31.207 -17.223 1.00 0.00 H new ATOM 0 HA2 GLY A 83 3.225 -33.849 -17.097 1.00 0.00 H new ATOM 0 HA3 GLY A 83 1.746 -33.837 -18.037 1.00 0.00 H new TER 1234 GLY A 83 HETATM 1235 ZN ZN A 201 -1.711 -9.711 2.441 1.00 0.00 ZN HETATM 1236 ZN ZN A 401 0.204 3.856 6.579 1.00 0.00 ZN