USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=20 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 HD1:sc= -2.82! K(o=-2.9!,f=-0.99) USER MOD Set 1.2: A 46 TYR OH : rot 30:sc= -0.0682 USER MOD Single : A 1 GLY N :NH3+ -128:sc= 0.0835 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 11:sc= 0.487 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= -0.515! C(o=-0.51!,f=-6!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= -0.593 K(o=-0.59,f=-2!) 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 178:sc= 0.0173 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.257 X(o=-0.26,f=-0.5) USER MOD Single : A 43 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0513) USER MOD Single : A 44 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc=-0.00911 X(o=-0.0091,f=0) USER MOD Single : A 52 ASN : amide:sc= -0.896 X(o=-0.9,f=-1) USER MOD Single : A 57 LYS NZ :NH3+ -149:sc= -0.458 (180deg=-1.56!) USER MOD Single : A 58 LYS NZ :NH3+ -142:sc= -0.294 (180deg=-2.17!) 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 -44:sc= 0.249 USER MOD Single : A 73 ASN : amide:sc= -0.637 K(o=-0.64,f=-1.4!) 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 104:sc= 0.121 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -16.687 -2.054 -28.781 1.00 0.00 N ATOM 2 CA GLY A 1 -15.319 -2.028 -29.266 1.00 0.00 C ATOM 3 C GLY A 1 -14.307 -1.944 -28.140 1.00 0.00 C ATOM 4 O GLY A 1 -14.664 -2.046 -26.966 1.00 0.00 O ATOM 0 H1 GLY A 1 -17.188 -2.863 -29.200 1.00 0.00 H new ATOM 0 H2 GLY A 1 -16.686 -2.145 -27.745 1.00 0.00 H new ATOM 0 H3 GLY A 1 -17.168 -1.172 -29.050 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -15.129 -2.925 -29.856 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -15.189 -1.175 -29.932 1.00 0.00 H new ATOM 8 N SER A 2 -13.040 -1.761 -28.498 1.00 0.00 N ATOM 9 CA SER A 2 -11.972 -1.670 -27.509 1.00 0.00 C ATOM 10 C SER A 2 -11.223 -0.346 -27.638 1.00 0.00 C ATOM 11 O SER A 2 -10.364 -0.189 -28.505 1.00 0.00 O ATOM 12 CB SER A 2 -10.998 -2.838 -27.670 1.00 0.00 C ATOM 13 OG SER A 2 -11.397 -3.948 -26.885 1.00 0.00 O ATOM 0 H SER A 2 -12.728 -1.673 -29.465 1.00 0.00 H new ATOM 0 HA SER A 2 -12.423 -1.717 -26.518 1.00 0.00 H new ATOM 0 HB2 SER A 2 -10.946 -3.130 -28.719 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.996 -2.523 -27.377 1.00 0.00 H new ATOM 0 HG SER A 2 -10.759 -4.681 -27.007 1.00 0.00 H new ATOM 19 N SER A 3 -11.556 0.602 -26.769 1.00 0.00 N ATOM 20 CA SER A 3 -10.919 1.913 -26.787 1.00 0.00 C ATOM 21 C SER A 3 -9.401 1.781 -26.711 1.00 0.00 C ATOM 22 O SER A 3 -8.681 2.241 -27.596 1.00 0.00 O ATOM 23 CB SER A 3 -11.427 2.767 -25.624 1.00 0.00 C ATOM 24 OG SER A 3 -10.867 4.069 -25.663 1.00 0.00 O ATOM 0 H SER A 3 -12.263 0.487 -26.043 1.00 0.00 H new ATOM 0 HA SER A 3 -11.177 2.402 -27.727 1.00 0.00 H new ATOM 0 HB2 SER A 3 -12.514 2.834 -25.666 1.00 0.00 H new ATOM 0 HB3 SER A 3 -11.174 2.287 -24.679 1.00 0.00 H new ATOM 0 HG SER A 3 -11.209 4.595 -24.910 1.00 0.00 H new ATOM 30 N GLY A 4 -8.921 1.149 -25.644 1.00 0.00 N ATOM 31 CA GLY A 4 -7.492 0.967 -25.470 1.00 0.00 C ATOM 32 C GLY A 4 -7.127 0.565 -24.054 1.00 0.00 C ATOM 33 O GLY A 4 -7.998 0.225 -23.254 1.00 0.00 O ATOM 0 H GLY A 4 -9.497 0.760 -24.897 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -7.139 0.204 -26.164 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -6.977 1.893 -25.726 1.00 0.00 H new ATOM 37 N SER A 5 -5.835 0.603 -23.744 1.00 0.00 N ATOM 38 CA SER A 5 -5.356 0.236 -22.417 1.00 0.00 C ATOM 39 C SER A 5 -4.030 0.924 -22.108 1.00 0.00 C ATOM 40 O SER A 5 -3.160 1.038 -22.973 1.00 0.00 O ATOM 41 CB SER A 5 -5.192 -1.282 -22.314 1.00 0.00 C ATOM 42 OG SER A 5 -6.453 -1.927 -22.250 1.00 0.00 O ATOM 0 H SER A 5 -5.101 0.884 -24.394 1.00 0.00 H new ATOM 0 HA SER A 5 -6.095 0.566 -21.687 1.00 0.00 H new ATOM 0 HB2 SER A 5 -4.635 -1.650 -23.175 1.00 0.00 H new ATOM 0 HB3 SER A 5 -4.608 -1.529 -21.427 1.00 0.00 H new ATOM 0 HG SER A 5 -7.161 -1.283 -22.461 1.00 0.00 H new ATOM 48 N SER A 6 -3.882 1.382 -20.870 1.00 0.00 N ATOM 49 CA SER A 6 -2.663 2.062 -20.446 1.00 0.00 C ATOM 50 C SER A 6 -2.205 1.558 -19.081 1.00 0.00 C ATOM 51 O SER A 6 -2.833 1.840 -18.061 1.00 0.00 O ATOM 52 CB SER A 6 -2.890 3.574 -20.394 1.00 0.00 C ATOM 53 OG SER A 6 -2.832 4.143 -21.691 1.00 0.00 O ATOM 0 H SER A 6 -4.591 1.295 -20.142 1.00 0.00 H new ATOM 0 HA SER A 6 -1.882 1.843 -21.175 1.00 0.00 H new ATOM 0 HB2 SER A 6 -3.860 3.784 -19.944 1.00 0.00 H new ATOM 0 HB3 SER A 6 -2.136 4.036 -19.756 1.00 0.00 H new ATOM 0 HG SER A 6 -2.982 5.110 -21.631 1.00 0.00 H new ATOM 59 N GLY A 7 -1.107 0.809 -19.072 1.00 0.00 N ATOM 60 CA GLY A 7 -0.583 0.276 -17.827 1.00 0.00 C ATOM 61 C GLY A 7 0.919 0.443 -17.712 1.00 0.00 C ATOM 62 O GLY A 7 1.644 0.308 -18.697 1.00 0.00 O ATOM 0 H GLY A 7 -0.571 0.562 -19.904 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.067 0.777 -16.989 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.835 -0.782 -17.754 1.00 0.00 H new ATOM 66 N LYS A 8 1.389 0.740 -16.505 1.00 0.00 N ATOM 67 CA LYS A 8 2.815 0.927 -16.262 1.00 0.00 C ATOM 68 C LYS A 8 3.430 -0.326 -15.646 1.00 0.00 C ATOM 69 O LYS A 8 2.722 -1.276 -15.313 1.00 0.00 O ATOM 70 CB LYS A 8 3.043 2.126 -15.342 1.00 0.00 C ATOM 71 CG LYS A 8 2.863 3.467 -16.033 1.00 0.00 C ATOM 72 CD LYS A 8 4.148 3.926 -16.702 1.00 0.00 C ATOM 73 CE LYS A 8 3.867 4.896 -17.840 1.00 0.00 C ATOM 74 NZ LYS A 8 3.592 4.184 -19.120 1.00 0.00 N ATOM 0 H LYS A 8 0.802 0.857 -15.679 1.00 0.00 H new ATOM 0 HA LYS A 8 3.300 1.115 -17.220 1.00 0.00 H new ATOM 0 HB2 LYS A 8 2.352 2.065 -14.501 1.00 0.00 H new ATOM 0 HB3 LYS A 8 4.051 2.071 -14.931 1.00 0.00 H new ATOM 0 HG2 LYS A 8 2.071 3.390 -16.778 1.00 0.00 H new ATOM 0 HG3 LYS A 8 2.544 4.213 -15.305 1.00 0.00 H new ATOM 0 HD2 LYS A 8 4.793 4.405 -15.965 1.00 0.00 H new ATOM 0 HD3 LYS A 8 4.689 3.061 -17.085 1.00 0.00 H new ATOM 0 HE2 LYS A 8 3.013 5.522 -17.581 1.00 0.00 H new ATOM 0 HE3 LYS A 8 4.721 5.561 -17.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 3.405 4.879 -19.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 4.417 3.606 -19.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 2.762 3.569 -19.004 1.00 0.00 H new ATOM 88 N GLN A 9 4.751 -0.318 -15.496 1.00 0.00 N ATOM 89 CA GLN A 9 5.460 -1.453 -14.919 1.00 0.00 C ATOM 90 C GLN A 9 5.036 -1.681 -13.472 1.00 0.00 C ATOM 91 O GLN A 9 4.946 -0.740 -12.685 1.00 0.00 O ATOM 92 CB GLN A 9 6.971 -1.228 -14.990 1.00 0.00 C ATOM 93 CG GLN A 9 7.442 -0.012 -14.209 1.00 0.00 C ATOM 94 CD GLN A 9 7.169 1.290 -14.935 1.00 0.00 C ATOM 95 OE1 GLN A 9 6.836 1.295 -16.120 1.00 0.00 O ATOM 96 NE2 GLN A 9 7.310 2.405 -14.226 1.00 0.00 N ATOM 0 H GLN A 9 5.351 0.462 -15.766 1.00 0.00 H new ATOM 0 HA GLN A 9 5.205 -2.340 -15.498 1.00 0.00 H new ATOM 0 HB2 GLN A 9 7.480 -2.113 -14.609 1.00 0.00 H new ATOM 0 HB3 GLN A 9 7.265 -1.115 -16.034 1.00 0.00 H new ATOM 0 HG2 GLN A 9 6.945 0.006 -13.239 1.00 0.00 H new ATOM 0 HG3 GLN A 9 8.512 -0.100 -14.018 1.00 0.00 H new ATOM 0 HE21 GLN A 9 7.588 2.354 -13.246 1.00 0.00 H new ATOM 0 HE22 GLN A 9 7.140 3.311 -14.662 1.00 0.00 H new ATOM 105 N ALA A 10 4.777 -2.939 -13.128 1.00 0.00 N ATOM 106 CA ALA A 10 4.363 -3.291 -11.774 1.00 0.00 C ATOM 107 C ALA A 10 5.016 -4.593 -11.323 1.00 0.00 C ATOM 108 O ALA A 10 5.445 -5.403 -12.145 1.00 0.00 O ATOM 109 CB ALA A 10 2.848 -3.402 -11.697 1.00 0.00 C ATOM 0 H ALA A 10 4.846 -3.731 -13.767 1.00 0.00 H new ATOM 0 HA ALA A 10 4.691 -2.498 -11.102 1.00 0.00 H new ATOM 0 HB1 ALA A 10 2.554 -3.665 -10.681 1.00 0.00 H new ATOM 0 HB2 ALA A 10 2.399 -2.447 -11.969 1.00 0.00 H new ATOM 0 HB3 ALA A 10 2.504 -4.174 -12.386 1.00 0.00 H new ATOM 115 N LYS A 11 5.088 -4.790 -10.010 1.00 0.00 N ATOM 116 CA LYS A 11 5.686 -5.994 -9.449 1.00 0.00 C ATOM 117 C LYS A 11 5.039 -6.352 -8.115 1.00 0.00 C ATOM 118 O LYS A 11 4.408 -5.510 -7.475 1.00 0.00 O ATOM 119 CB LYS A 11 7.193 -5.799 -9.260 1.00 0.00 C ATOM 120 CG LYS A 11 7.548 -4.886 -8.100 1.00 0.00 C ATOM 121 CD LYS A 11 7.299 -3.427 -8.443 1.00 0.00 C ATOM 122 CE LYS A 11 8.156 -2.501 -7.593 1.00 0.00 C ATOM 123 NZ LYS A 11 8.422 -1.206 -8.278 1.00 0.00 N ATOM 0 H LYS A 11 4.739 -4.130 -9.315 1.00 0.00 H new ATOM 0 HA LYS A 11 5.516 -6.813 -10.147 1.00 0.00 H new ATOM 0 HB2 LYS A 11 7.659 -6.771 -9.102 1.00 0.00 H new ATOM 0 HB3 LYS A 11 7.615 -5.388 -10.177 1.00 0.00 H new ATOM 0 HG2 LYS A 11 6.958 -5.161 -7.226 1.00 0.00 H new ATOM 0 HG3 LYS A 11 8.596 -5.025 -7.834 1.00 0.00 H new ATOM 0 HD2 LYS A 11 7.515 -3.258 -9.498 1.00 0.00 H new ATOM 0 HD3 LYS A 11 6.246 -3.191 -8.291 1.00 0.00 H new ATOM 0 HE2 LYS A 11 7.655 -2.313 -6.643 1.00 0.00 H new ATOM 0 HE3 LYS A 11 9.102 -2.991 -7.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 9.009 -0.604 -7.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 8.922 -1.383 -9.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 7.521 -0.726 -8.475 1.00 0.00 H new ATOM 137 N ILE A 12 5.202 -7.604 -7.700 1.00 0.00 N ATOM 138 CA ILE A 12 4.636 -8.070 -6.441 1.00 0.00 C ATOM 139 C ILE A 12 5.685 -8.076 -5.334 1.00 0.00 C ATOM 140 O ILE A 12 6.789 -8.593 -5.513 1.00 0.00 O ATOM 141 CB ILE A 12 4.045 -9.486 -6.579 1.00 0.00 C ATOM 142 CG1 ILE A 12 3.012 -9.522 -7.708 1.00 0.00 C ATOM 143 CG2 ILE A 12 3.417 -9.928 -5.266 1.00 0.00 C ATOM 144 CD1 ILE A 12 2.398 -10.888 -7.922 1.00 0.00 C ATOM 0 H ILE A 12 5.721 -8.313 -8.217 1.00 0.00 H new ATOM 0 HA ILE A 12 3.838 -7.375 -6.179 1.00 0.00 H new ATOM 0 HB ILE A 12 4.850 -10.178 -6.825 1.00 0.00 H new ATOM 0 HG12 ILE A 12 2.220 -8.807 -7.487 1.00 0.00 H new ATOM 0 HG13 ILE A 12 3.486 -9.197 -8.634 1.00 0.00 H new ATOM 0 HG21 ILE A 12 3.004 -10.930 -5.380 1.00 0.00 H new ATOM 0 HG22 ILE A 12 4.176 -9.935 -4.484 1.00 0.00 H new ATOM 0 HG23 ILE A 12 2.620 -9.236 -4.993 1.00 0.00 H new ATOM 0 HD11 ILE A 12 1.676 -10.839 -8.737 1.00 0.00 H new ATOM 0 HD12 ILE A 12 3.181 -11.603 -8.174 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.894 -11.208 -7.010 1.00 0.00 H new ATOM 156 N HIS A 13 5.333 -7.500 -4.188 1.00 0.00 N ATOM 157 CA HIS A 13 6.244 -7.442 -3.052 1.00 0.00 C ATOM 158 C HIS A 13 5.959 -8.573 -2.067 1.00 0.00 C ATOM 159 O HIS A 13 4.992 -8.516 -1.306 1.00 0.00 O ATOM 160 CB HIS A 13 6.124 -6.092 -2.344 1.00 0.00 C ATOM 161 CG HIS A 13 6.138 -4.921 -3.279 1.00 0.00 C ATOM 162 ND1 HIS A 13 6.918 -3.804 -3.075 1.00 0.00 N ATOM 163 CD2 HIS A 13 5.461 -4.701 -4.431 1.00 0.00 C ATOM 164 CE1 HIS A 13 6.720 -2.945 -4.059 1.00 0.00 C ATOM 165 NE2 HIS A 13 5.842 -3.466 -4.895 1.00 0.00 N ATOM 0 H HIS A 13 4.424 -7.068 -4.023 1.00 0.00 H new ATOM 0 HA HIS A 13 7.261 -7.559 -3.427 1.00 0.00 H new ATOM 0 HB2 HIS A 13 5.199 -6.075 -1.767 1.00 0.00 H new ATOM 0 HB3 HIS A 13 6.945 -5.989 -1.634 1.00 0.00 H new ATOM 0 HD2 HIS A 13 4.754 -5.371 -4.897 1.00 0.00 H new ATOM 0 HE1 HIS A 13 7.196 -1.981 -4.162 1.00 0.00 H new ATOM 0 HE2 HIS A 13 5.501 -3.023 -5.748 1.00 0.00 H new ATOM 173 N TYR A 14 6.804 -9.596 -2.089 1.00 0.00 N ATOM 174 CA TYR A 14 6.641 -10.741 -1.202 1.00 0.00 C ATOM 175 C TYR A 14 7.125 -10.412 0.207 1.00 0.00 C ATOM 176 O TYR A 14 7.946 -11.132 0.777 1.00 0.00 O ATOM 177 CB TYR A 14 7.406 -11.949 -1.747 1.00 0.00 C ATOM 178 CG TYR A 14 7.013 -12.328 -3.156 1.00 0.00 C ATOM 179 CD1 TYR A 14 5.679 -12.494 -3.507 1.00 0.00 C ATOM 180 CD2 TYR A 14 7.977 -12.518 -4.139 1.00 0.00 C ATOM 181 CE1 TYR A 14 5.317 -12.842 -4.795 1.00 0.00 C ATOM 182 CE2 TYR A 14 7.624 -12.864 -5.429 1.00 0.00 C ATOM 183 CZ TYR A 14 6.292 -13.025 -5.752 1.00 0.00 C ATOM 184 OH TYR A 14 5.935 -13.369 -7.036 1.00 0.00 O ATOM 0 H TYR A 14 7.610 -9.656 -2.712 1.00 0.00 H new ATOM 0 HA TYR A 14 5.579 -10.983 -1.155 1.00 0.00 H new ATOM 0 HB2 TYR A 14 8.474 -11.734 -1.722 1.00 0.00 H new ATOM 0 HB3 TYR A 14 7.237 -12.802 -1.090 1.00 0.00 H new ATOM 0 HD1 TYR A 14 4.912 -12.349 -2.761 1.00 0.00 H new ATOM 0 HD2 TYR A 14 9.020 -12.393 -3.890 1.00 0.00 H new ATOM 0 HE1 TYR A 14 4.275 -12.970 -5.050 1.00 0.00 H new ATOM 0 HE2 TYR A 14 8.386 -13.008 -6.181 1.00 0.00 H new ATOM 0 HH TYR A 14 6.741 -13.459 -7.587 1.00 0.00 H new ATOM 194 N ILE A 15 6.609 -9.321 0.762 1.00 0.00 N ATOM 195 CA ILE A 15 6.987 -8.897 2.105 1.00 0.00 C ATOM 196 C ILE A 15 6.121 -9.575 3.160 1.00 0.00 C ATOM 197 O ILE A 15 4.912 -9.729 2.982 1.00 0.00 O ATOM 198 CB ILE A 15 6.872 -7.369 2.266 1.00 0.00 C ATOM 199 CG1 ILE A 15 8.173 -6.689 1.836 1.00 0.00 C ATOM 200 CG2 ILE A 15 6.532 -7.013 3.705 1.00 0.00 C ATOM 201 CD1 ILE A 15 8.169 -6.237 0.392 1.00 0.00 C ATOM 0 H ILE A 15 5.929 -8.715 0.303 1.00 0.00 H new ATOM 0 HA ILE A 15 8.026 -9.192 2.248 1.00 0.00 H new ATOM 0 HB ILE A 15 6.068 -7.010 1.624 1.00 0.00 H new ATOM 0 HG12 ILE A 15 8.352 -5.827 2.478 1.00 0.00 H new ATOM 0 HG13 ILE A 15 9.003 -7.379 1.990 1.00 0.00 H new ATOM 0 HG21 ILE A 15 6.454 -5.930 3.803 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.582 -7.472 3.978 1.00 0.00 H new ATOM 0 HG23 ILE A 15 7.316 -7.382 4.366 1.00 0.00 H new ATOM 0 HD11 ILE A 15 9.122 -5.764 0.156 1.00 0.00 H new ATOM 0 HD12 ILE A 15 8.021 -7.099 -0.259 1.00 0.00 H new ATOM 0 HD13 ILE A 15 7.361 -5.522 0.237 1.00 0.00 H new ATOM 213 N LYS A 16 6.746 -9.978 4.261 1.00 0.00 N ATOM 214 CA LYS A 16 6.032 -10.638 5.348 1.00 0.00 C ATOM 215 C LYS A 16 5.097 -11.716 4.810 1.00 0.00 C ATOM 216 O LYS A 16 4.106 -12.067 5.449 1.00 0.00 O ATOM 217 CB LYS A 16 5.233 -9.613 6.158 1.00 0.00 C ATOM 218 CG LYS A 16 6.093 -8.527 6.780 1.00 0.00 C ATOM 219 CD LYS A 16 6.657 -8.961 8.123 1.00 0.00 C ATOM 220 CE LYS A 16 7.949 -8.228 8.448 1.00 0.00 C ATOM 221 NZ LYS A 16 8.670 -8.855 9.590 1.00 0.00 N ATOM 0 H LYS A 16 7.746 -9.859 4.424 1.00 0.00 H new ATOM 0 HA LYS A 16 6.768 -11.112 5.997 1.00 0.00 H new ATOM 0 HB2 LYS A 16 4.490 -9.149 5.509 1.00 0.00 H new ATOM 0 HB3 LYS A 16 4.689 -10.131 6.948 1.00 0.00 H new ATOM 0 HG2 LYS A 16 6.911 -8.278 6.104 1.00 0.00 H new ATOM 0 HG3 LYS A 16 5.500 -7.622 6.909 1.00 0.00 H new ATOM 0 HD2 LYS A 16 5.923 -8.771 8.906 1.00 0.00 H new ATOM 0 HD3 LYS A 16 6.840 -10.035 8.112 1.00 0.00 H new ATOM 0 HE2 LYS A 16 8.595 -8.223 7.570 1.00 0.00 H new ATOM 0 HE3 LYS A 16 7.726 -7.188 8.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 9.545 -8.326 9.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 8.064 -8.837 10.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 8.905 -9.840 9.353 1.00 0.00 H new ATOM 235 N ASN A 17 5.422 -12.240 3.633 1.00 0.00 N ATOM 236 CA ASN A 17 4.611 -13.280 3.010 1.00 0.00 C ATOM 237 C ASN A 17 3.323 -12.696 2.438 1.00 0.00 C ATOM 238 O ASN A 17 2.271 -13.336 2.469 1.00 0.00 O ATOM 239 CB ASN A 17 4.281 -14.376 4.026 1.00 0.00 C ATOM 240 CG ASN A 17 4.123 -15.738 3.377 1.00 0.00 C ATOM 241 OD1 ASN A 17 4.312 -15.888 2.170 1.00 0.00 O ATOM 242 ND2 ASN A 17 3.775 -16.738 4.178 1.00 0.00 N ATOM 0 H ASN A 17 6.241 -11.962 3.092 1.00 0.00 H new ATOM 0 HA ASN A 17 5.187 -13.714 2.192 1.00 0.00 H new ATOM 0 HB2 ASN A 17 5.071 -14.423 4.775 1.00 0.00 H new ATOM 0 HB3 ASN A 17 3.361 -14.117 4.550 1.00 0.00 H new ATOM 0 HD21 ASN A 17 3.654 -17.677 3.798 1.00 0.00 H new ATOM 0 HD22 ASN A 17 3.629 -16.567 5.173 1.00 0.00 H new ATOM 249 N HIS A 18 3.412 -11.478 1.916 1.00 0.00 N ATOM 250 CA HIS A 18 2.254 -10.807 1.336 1.00 0.00 C ATOM 251 C HIS A 18 2.409 -10.667 -0.176 1.00 0.00 C ATOM 252 O HIS A 18 3.385 -11.142 -0.756 1.00 0.00 O ATOM 253 CB HIS A 18 2.065 -9.429 1.970 1.00 0.00 C ATOM 254 CG HIS A 18 1.280 -9.460 3.245 1.00 0.00 C ATOM 255 ND1 HIS A 18 -0.073 -9.197 3.303 1.00 0.00 N ATOM 256 CD2 HIS A 18 1.664 -9.727 4.515 1.00 0.00 C ATOM 257 CE1 HIS A 18 -0.486 -9.298 4.553 1.00 0.00 C ATOM 258 NE2 HIS A 18 0.549 -9.620 5.309 1.00 0.00 N ATOM 0 H HIS A 18 4.274 -10.935 1.882 1.00 0.00 H new ATOM 0 HA HIS A 18 1.373 -11.416 1.539 1.00 0.00 H new ATOM 0 HB2 HIS A 18 3.044 -8.991 2.166 1.00 0.00 H new ATOM 0 HB3 HIS A 18 1.560 -8.776 1.258 1.00 0.00 H new ATOM 0 HD2 HIS A 18 2.662 -9.978 4.843 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -1.497 -9.144 4.899 1.00 0.00 H new ATOM 0 HE2 HIS A 18 0.524 -9.765 6.318 1.00 0.00 H new ATOM 266 N GLU A 19 1.439 -10.012 -0.807 1.00 0.00 N ATOM 267 CA GLU A 19 1.468 -9.811 -2.251 1.00 0.00 C ATOM 268 C GLU A 19 1.174 -8.356 -2.604 1.00 0.00 C ATOM 269 O GLU A 19 0.591 -8.065 -3.648 1.00 0.00 O ATOM 270 CB GLU A 19 0.453 -10.729 -2.936 1.00 0.00 C ATOM 271 CG GLU A 19 0.938 -12.160 -3.097 1.00 0.00 C ATOM 272 CD GLU A 19 1.052 -12.890 -1.773 1.00 0.00 C ATOM 273 OE1 GLU A 19 0.179 -12.683 -0.904 1.00 0.00 O ATOM 274 OE2 GLU A 19 2.014 -13.669 -1.606 1.00 0.00 O ATOM 0 H GLU A 19 0.624 -9.612 -0.341 1.00 0.00 H new ATOM 0 HA GLU A 19 2.468 -10.058 -2.607 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -0.471 -10.730 -2.358 1.00 0.00 H new ATOM 0 HB3 GLU A 19 0.214 -10.323 -3.919 1.00 0.00 H new ATOM 0 HG2 GLU A 19 0.251 -12.701 -3.748 1.00 0.00 H new ATOM 0 HG3 GLU A 19 1.910 -12.157 -3.591 1.00 0.00 H new ATOM 281 N PHE A 20 1.581 -7.447 -1.726 1.00 0.00 N ATOM 282 CA PHE A 20 1.361 -6.021 -1.943 1.00 0.00 C ATOM 283 C PHE A 20 1.728 -5.625 -3.370 1.00 0.00 C ATOM 284 O PHE A 20 2.899 -5.657 -3.753 1.00 0.00 O ATOM 285 CB PHE A 20 2.181 -5.199 -0.947 1.00 0.00 C ATOM 286 CG PHE A 20 1.855 -5.498 0.489 1.00 0.00 C ATOM 287 CD1 PHE A 20 0.571 -5.306 0.976 1.00 0.00 C ATOM 288 CD2 PHE A 20 2.831 -5.970 1.351 1.00 0.00 C ATOM 289 CE1 PHE A 20 0.268 -5.579 2.296 1.00 0.00 C ATOM 290 CE2 PHE A 20 2.534 -6.246 2.673 1.00 0.00 C ATOM 291 CZ PHE A 20 1.251 -6.051 3.145 1.00 0.00 C ATOM 0 H PHE A 20 2.065 -7.671 -0.857 1.00 0.00 H new ATOM 0 HA PHE A 20 0.302 -5.815 -1.788 1.00 0.00 H new ATOM 0 HB2 PHE A 20 3.241 -5.388 -1.118 1.00 0.00 H new ATOM 0 HB3 PHE A 20 2.012 -4.139 -1.137 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -0.201 -4.939 0.316 1.00 0.00 H new ATOM 0 HD2 PHE A 20 3.836 -6.124 0.986 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -0.736 -5.424 2.664 1.00 0.00 H new ATOM 0 HE2 PHE A 20 3.304 -6.613 3.335 1.00 0.00 H new ATOM 0 HZ PHE A 20 1.016 -6.267 4.177 1.00 0.00 H new ATOM 301 N ILE A 21 0.721 -5.253 -4.152 1.00 0.00 N ATOM 302 CA ILE A 21 0.938 -4.851 -5.536 1.00 0.00 C ATOM 303 C ILE A 21 0.696 -3.356 -5.718 1.00 0.00 C ATOM 304 O ILE A 21 -0.367 -2.842 -5.371 1.00 0.00 O ATOM 305 CB ILE A 21 0.021 -5.628 -6.498 1.00 0.00 C ATOM 306 CG1 ILE A 21 0.564 -7.040 -6.728 1.00 0.00 C ATOM 307 CG2 ILE A 21 -0.112 -4.885 -7.819 1.00 0.00 C ATOM 308 CD1 ILE A 21 -0.275 -7.865 -7.678 1.00 0.00 C ATOM 0 H ILE A 21 -0.253 -5.222 -3.851 1.00 0.00 H new ATOM 0 HA ILE A 21 1.977 -5.081 -5.772 1.00 0.00 H new ATOM 0 HB ILE A 21 -0.968 -5.709 -6.047 1.00 0.00 H new ATOM 0 HG12 ILE A 21 1.579 -6.970 -7.120 1.00 0.00 H new ATOM 0 HG13 ILE A 21 0.627 -7.556 -5.770 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.763 -5.447 -8.489 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -0.540 -3.898 -7.640 1.00 0.00 H new ATOM 0 HG23 ILE A 21 0.872 -4.777 -8.276 1.00 0.00 H new ATOM 0 HD11 ILE A 21 0.171 -8.853 -7.793 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -1.284 -7.966 -7.278 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.317 -7.371 -8.649 1.00 0.00 H new ATOM 320 N ALA A 22 1.689 -2.663 -6.266 1.00 0.00 N ATOM 321 CA ALA A 22 1.583 -1.228 -6.499 1.00 0.00 C ATOM 322 C ALA A 22 0.219 -0.865 -7.074 1.00 0.00 C ATOM 323 O ALA A 22 -0.210 -1.424 -8.083 1.00 0.00 O ATOM 324 CB ALA A 22 2.693 -0.762 -7.429 1.00 0.00 C ATOM 0 H ALA A 22 2.577 -3.073 -6.557 1.00 0.00 H new ATOM 0 HA ALA A 22 1.690 -0.719 -5.541 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.602 0.311 -7.595 1.00 0.00 H new ATOM 0 HB2 ALA A 22 3.661 -0.979 -6.977 1.00 0.00 H new ATOM 0 HB3 ALA A 22 2.612 -1.284 -8.382 1.00 0.00 H new ATOM 330 N THR A 23 -0.460 0.076 -6.424 1.00 0.00 N ATOM 331 CA THR A 23 -1.777 0.513 -6.870 1.00 0.00 C ATOM 332 C THR A 23 -1.991 1.994 -6.582 1.00 0.00 C ATOM 333 O THR A 23 -1.455 2.532 -5.612 1.00 0.00 O ATOM 334 CB THR A 23 -2.898 -0.298 -6.192 1.00 0.00 C ATOM 335 OG1 THR A 23 -4.150 -0.033 -6.832 1.00 0.00 O ATOM 336 CG2 THR A 23 -2.996 0.047 -4.713 1.00 0.00 C ATOM 0 H THR A 23 -0.119 0.550 -5.587 1.00 0.00 H new ATOM 0 HA THR A 23 -1.818 0.345 -7.946 1.00 0.00 H new ATOM 0 HB THR A 23 -2.659 -1.357 -6.287 1.00 0.00 H new ATOM 0 HG1 THR A 23 -4.857 -0.554 -6.396 1.00 0.00 H new ATOM 0 HG21 THR A 23 -3.794 -0.538 -4.255 1.00 0.00 H new ATOM 0 HG22 THR A 23 -2.050 -0.183 -4.222 1.00 0.00 H new ATOM 0 HG23 THR A 23 -3.214 1.109 -4.601 1.00 0.00 H new ATOM 344 N PHE A 24 -2.779 2.649 -7.428 1.00 0.00 N ATOM 345 CA PHE A 24 -3.065 4.070 -7.264 1.00 0.00 C ATOM 346 C PHE A 24 -4.454 4.280 -6.670 1.00 0.00 C ATOM 347 O PHE A 24 -5.451 4.319 -7.392 1.00 0.00 O ATOM 348 CB PHE A 24 -2.957 4.791 -8.608 1.00 0.00 C ATOM 349 CG PHE A 24 -3.170 6.275 -8.511 1.00 0.00 C ATOM 350 CD1 PHE A 24 -4.446 6.811 -8.582 1.00 0.00 C ATOM 351 CD2 PHE A 24 -2.095 7.134 -8.347 1.00 0.00 C ATOM 352 CE1 PHE A 24 -4.644 8.176 -8.493 1.00 0.00 C ATOM 353 CE2 PHE A 24 -2.288 8.499 -8.257 1.00 0.00 C ATOM 354 CZ PHE A 24 -3.565 9.021 -8.329 1.00 0.00 C ATOM 0 H PHE A 24 -3.231 2.218 -8.235 1.00 0.00 H new ATOM 0 HA PHE A 24 -2.329 4.487 -6.576 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -1.973 4.600 -9.035 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -3.690 4.371 -9.297 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -5.295 6.155 -8.708 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -1.094 6.732 -8.289 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -5.643 8.582 -8.552 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -1.441 9.157 -8.130 1.00 0.00 H new ATOM 0 HZ PHE A 24 -3.719 10.088 -8.257 1.00 0.00 H new ATOM 364 N PHE A 25 -4.512 4.416 -5.349 1.00 0.00 N ATOM 365 CA PHE A 25 -5.779 4.622 -4.656 1.00 0.00 C ATOM 366 C PHE A 25 -6.411 5.949 -5.063 1.00 0.00 C ATOM 367 O PHE A 25 -7.549 5.991 -5.529 1.00 0.00 O ATOM 368 CB PHE A 25 -5.569 4.586 -3.141 1.00 0.00 C ATOM 369 CG PHE A 25 -4.778 3.397 -2.674 1.00 0.00 C ATOM 370 CD1 PHE A 25 -5.409 2.193 -2.403 1.00 0.00 C ATOM 371 CD2 PHE A 25 -3.406 3.483 -2.506 1.00 0.00 C ATOM 372 CE1 PHE A 25 -4.685 1.098 -1.972 1.00 0.00 C ATOM 373 CE2 PHE A 25 -2.676 2.390 -2.076 1.00 0.00 C ATOM 374 CZ PHE A 25 -3.316 1.197 -1.809 1.00 0.00 C ATOM 0 H PHE A 25 -3.697 4.387 -4.737 1.00 0.00 H new ATOM 0 HA PHE A 25 -6.455 3.816 -4.940 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -5.057 5.497 -2.831 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -6.541 4.583 -2.647 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -6.478 2.110 -2.530 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -2.900 4.415 -2.713 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -5.188 0.166 -1.763 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -1.606 2.470 -1.949 1.00 0.00 H new ATOM 0 HZ PHE A 25 -2.748 0.342 -1.473 1.00 0.00 H new ATOM 384 N GLY A 26 -5.665 7.035 -4.880 1.00 0.00 N ATOM 385 CA GLY A 26 -6.168 8.350 -5.231 1.00 0.00 C ATOM 386 C GLY A 26 -7.055 8.938 -4.151 1.00 0.00 C ATOM 387 O GLY A 26 -7.112 10.155 -3.983 1.00 0.00 O ATOM 0 H GLY A 26 -4.721 7.027 -4.495 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -5.328 9.021 -5.412 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -6.730 8.284 -6.163 1.00 0.00 H new ATOM 391 N GLN A 27 -7.747 8.072 -3.419 1.00 0.00 N ATOM 392 CA GLN A 27 -8.637 8.514 -2.352 1.00 0.00 C ATOM 393 C GLN A 27 -8.035 8.216 -0.983 1.00 0.00 C ATOM 394 O GLN A 27 -7.111 7.413 -0.845 1.00 0.00 O ATOM 395 CB GLN A 27 -10.001 7.834 -2.481 1.00 0.00 C ATOM 396 CG GLN A 27 -11.012 8.645 -3.275 1.00 0.00 C ATOM 397 CD GLN A 27 -12.441 8.386 -2.838 1.00 0.00 C ATOM 398 OE1 GLN A 27 -13.112 9.274 -2.311 1.00 0.00 O ATOM 399 NE2 GLN A 27 -12.914 7.164 -3.054 1.00 0.00 N ATOM 0 H GLN A 27 -7.709 7.061 -3.545 1.00 0.00 H new ATOM 0 HA GLN A 27 -8.767 9.592 -2.445 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -9.870 6.863 -2.959 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -10.400 7.647 -1.484 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -10.789 9.706 -3.164 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -10.911 8.408 -4.334 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -12.323 6.459 -3.494 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -13.868 6.931 -2.780 1.00 0.00 H new ATOM 408 N PRO A 28 -8.568 8.877 0.055 1.00 0.00 N ATOM 409 CA PRO A 28 -8.099 8.699 1.432 1.00 0.00 C ATOM 410 C PRO A 28 -8.457 7.328 1.995 1.00 0.00 C ATOM 411 O PRO A 28 -9.431 7.184 2.735 1.00 0.00 O ATOM 412 CB PRO A 28 -8.831 9.801 2.202 1.00 0.00 C ATOM 413 CG PRO A 28 -10.057 10.072 1.401 1.00 0.00 C ATOM 414 CD PRO A 28 -9.671 9.849 -0.035 1.00 0.00 C ATOM 0 HA PRO A 28 -7.013 8.760 1.503 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -9.082 9.478 3.213 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -8.214 10.695 2.296 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -10.870 9.407 1.694 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -10.407 11.092 1.557 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -10.504 9.458 -0.619 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -9.353 10.775 -0.514 1.00 0.00 H new ATOM 422 N THR A 29 -7.665 6.321 1.639 1.00 0.00 N ATOM 423 CA THR A 29 -7.900 4.961 2.108 1.00 0.00 C ATOM 424 C THR A 29 -7.395 4.777 3.534 1.00 0.00 C ATOM 425 O THR A 29 -6.435 5.424 3.952 1.00 0.00 O ATOM 426 CB THR A 29 -7.216 3.927 1.196 1.00 0.00 C ATOM 427 OG1 THR A 29 -7.439 4.262 -0.179 1.00 0.00 O ATOM 428 CG2 THR A 29 -7.745 2.527 1.472 1.00 0.00 C ATOM 0 H THR A 29 -6.855 6.422 1.027 1.00 0.00 H new ATOM 0 HA THR A 29 -8.978 4.799 2.083 1.00 0.00 H new ATOM 0 HB THR A 29 -6.146 3.943 1.406 1.00 0.00 H new ATOM 0 HG1 THR A 29 -6.968 3.622 -0.752 1.00 0.00 H new ATOM 0 HG21 THR A 29 -7.247 1.814 0.815 1.00 0.00 H new ATOM 0 HG22 THR A 29 -7.549 2.262 2.511 1.00 0.00 H new ATOM 0 HG23 THR A 29 -8.819 2.501 1.288 1.00 0.00 H new ATOM 436 N PHE A 30 -8.047 3.889 4.278 1.00 0.00 N ATOM 437 CA PHE A 30 -7.664 3.619 5.659 1.00 0.00 C ATOM 438 C PHE A 30 -6.527 2.602 5.718 1.00 0.00 C ATOM 439 O PHE A 30 -6.709 1.430 5.390 1.00 0.00 O ATOM 440 CB PHE A 30 -8.866 3.104 6.453 1.00 0.00 C ATOM 441 CG PHE A 30 -8.633 3.066 7.935 1.00 0.00 C ATOM 442 CD1 PHE A 30 -8.521 4.240 8.663 1.00 0.00 C ATOM 443 CD2 PHE A 30 -8.526 1.856 8.604 1.00 0.00 C ATOM 444 CE1 PHE A 30 -8.306 4.208 10.028 1.00 0.00 C ATOM 445 CE2 PHE A 30 -8.311 1.818 9.968 1.00 0.00 C ATOM 446 CZ PHE A 30 -8.202 2.995 10.682 1.00 0.00 C ATOM 0 H PHE A 30 -8.843 3.344 3.947 1.00 0.00 H new ATOM 0 HA PHE A 30 -7.318 4.552 6.103 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -9.728 3.738 6.245 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -9.117 2.101 6.107 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -8.603 5.191 8.158 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -8.612 0.932 8.052 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -8.219 5.130 10.583 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -8.228 0.868 10.476 1.00 0.00 H new ATOM 0 HZ PHE A 30 -8.036 2.968 11.749 1.00 0.00 H new ATOM 456 N CYS A 31 -5.353 3.062 6.140 1.00 0.00 N ATOM 457 CA CYS A 31 -4.185 2.195 6.243 1.00 0.00 C ATOM 458 C CYS A 31 -4.334 1.217 7.405 1.00 0.00 C ATOM 459 O CYS A 31 -5.153 1.421 8.301 1.00 0.00 O ATOM 460 CB CYS A 31 -2.917 3.032 6.425 1.00 0.00 C ATOM 461 SG CYS A 31 -1.430 2.055 6.812 1.00 0.00 S ATOM 0 H CYS A 31 -5.186 4.030 6.416 1.00 0.00 H new ATOM 0 HA CYS A 31 -4.105 1.623 5.318 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -2.737 3.602 5.514 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -3.083 3.754 7.225 1.00 0.00 H new ATOM 466 N SER A 32 -3.535 0.155 7.383 1.00 0.00 N ATOM 467 CA SER A 32 -3.580 -0.857 8.432 1.00 0.00 C ATOM 468 C SER A 32 -2.402 -0.700 9.389 1.00 0.00 C ATOM 469 O SER A 32 -2.558 -0.799 10.606 1.00 0.00 O ATOM 470 CB SER A 32 -3.569 -2.258 7.819 1.00 0.00 C ATOM 471 OG SER A 32 -3.542 -3.255 8.826 1.00 0.00 O ATOM 0 H SER A 32 -2.849 -0.027 6.650 1.00 0.00 H new ATOM 0 HA SER A 32 -4.504 -0.721 8.994 1.00 0.00 H new ATOM 0 HB2 SER A 32 -4.452 -2.392 7.194 1.00 0.00 H new ATOM 0 HB3 SER A 32 -2.700 -2.368 7.171 1.00 0.00 H new ATOM 0 HG SER A 32 -3.537 -4.142 8.408 1.00 0.00 H new ATOM 477 N VAL A 33 -1.221 -0.454 8.829 1.00 0.00 N ATOM 478 CA VAL A 33 -0.015 -0.282 9.631 1.00 0.00 C ATOM 479 C VAL A 33 -0.151 0.905 10.578 1.00 0.00 C ATOM 480 O VAL A 33 -0.239 0.735 11.794 1.00 0.00 O ATOM 481 CB VAL A 33 1.225 -0.077 8.742 1.00 0.00 C ATOM 482 CG1 VAL A 33 2.407 0.394 9.575 1.00 0.00 C ATOM 483 CG2 VAL A 33 1.563 -1.359 7.996 1.00 0.00 C ATOM 0 H VAL A 33 -1.074 -0.369 7.823 1.00 0.00 H new ATOM 0 HA VAL A 33 0.112 -1.195 10.213 1.00 0.00 H new ATOM 0 HB VAL A 33 1.000 0.695 8.006 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.274 0.534 8.930 1.00 0.00 H new ATOM 0 HG12 VAL A 33 2.158 1.339 10.058 1.00 0.00 H new ATOM 0 HG13 VAL A 33 2.637 -0.352 10.335 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.442 -1.196 7.372 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.769 -2.154 8.713 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.720 -1.647 7.367 1.00 0.00 H new ATOM 493 N CYS A 34 -0.167 2.107 10.013 1.00 0.00 N ATOM 494 CA CYS A 34 -0.291 3.324 10.806 1.00 0.00 C ATOM 495 C CYS A 34 -1.755 3.733 10.949 1.00 0.00 C ATOM 496 O CYS A 34 -2.162 4.278 11.974 1.00 0.00 O ATOM 497 CB CYS A 34 0.507 4.460 10.164 1.00 0.00 C ATOM 498 SG CYS A 34 -0.179 5.051 8.583 1.00 0.00 S ATOM 0 H CYS A 34 -0.096 2.265 9.008 1.00 0.00 H new ATOM 0 HA CYS A 34 0.111 3.123 11.799 1.00 0.00 H new ATOM 0 HB2 CYS A 34 0.554 5.296 10.862 1.00 0.00 H new ATOM 0 HB3 CYS A 34 1.531 4.123 10.000 1.00 0.00 H new ATOM 503 N LYS A 35 -2.541 3.466 9.911 1.00 0.00 N ATOM 504 CA LYS A 35 -3.959 3.805 9.919 1.00 0.00 C ATOM 505 C LYS A 35 -4.159 5.315 9.840 1.00 0.00 C ATOM 506 O LYS A 35 -4.840 5.906 10.679 1.00 0.00 O ATOM 507 CB LYS A 35 -4.628 3.257 11.182 1.00 0.00 C ATOM 508 CG LYS A 35 -4.295 1.802 11.464 1.00 0.00 C ATOM 509 CD LYS A 35 -5.406 1.115 12.241 1.00 0.00 C ATOM 510 CE LYS A 35 -5.209 1.261 13.742 1.00 0.00 C ATOM 511 NZ LYS A 35 -6.382 0.756 14.507 1.00 0.00 N ATOM 0 H LYS A 35 -2.220 3.016 9.054 1.00 0.00 H new ATOM 0 HA LYS A 35 -4.420 3.349 9.043 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -4.324 3.863 12.036 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -5.709 3.362 11.085 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -4.130 1.277 10.523 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -3.365 1.744 12.029 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -6.368 1.541 11.956 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -5.435 0.058 11.978 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -4.315 0.716 14.046 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -5.041 2.310 13.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -6.209 0.873 15.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -7.230 1.293 14.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -6.528 -0.252 14.294 1.00 0.00 H new ATOM 525 N ASP A 36 -3.564 5.934 8.826 1.00 0.00 N ATOM 526 CA ASP A 36 -3.678 7.375 8.636 1.00 0.00 C ATOM 527 C ASP A 36 -4.053 7.705 7.194 1.00 0.00 C ATOM 528 O ASP A 36 -3.572 7.069 6.256 1.00 0.00 O ATOM 529 CB ASP A 36 -2.365 8.066 9.005 1.00 0.00 C ATOM 530 CG ASP A 36 -2.422 9.566 8.796 1.00 0.00 C ATOM 531 OD1 ASP A 36 -3.398 10.192 9.256 1.00 0.00 O ATOM 532 OD2 ASP A 36 -1.489 10.113 8.171 1.00 0.00 O ATOM 0 H ASP A 36 -2.998 5.460 8.123 1.00 0.00 H new ATOM 0 HA ASP A 36 -4.468 7.741 9.291 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -2.128 7.856 10.048 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -1.557 7.649 8.404 1.00 0.00 H new ATOM 537 N PHE A 37 -4.916 8.700 7.026 1.00 0.00 N ATOM 538 CA PHE A 37 -5.358 9.113 5.699 1.00 0.00 C ATOM 539 C PHE A 37 -4.236 8.950 4.677 1.00 0.00 C ATOM 540 O PHE A 37 -3.385 9.826 4.527 1.00 0.00 O ATOM 541 CB PHE A 37 -5.830 10.569 5.726 1.00 0.00 C ATOM 542 CG PHE A 37 -6.554 10.941 6.988 1.00 0.00 C ATOM 543 CD1 PHE A 37 -7.648 10.207 7.417 1.00 0.00 C ATOM 544 CD2 PHE A 37 -6.143 12.027 7.744 1.00 0.00 C ATOM 545 CE1 PHE A 37 -8.316 10.545 8.578 1.00 0.00 C ATOM 546 CE2 PHE A 37 -6.807 12.371 8.906 1.00 0.00 C ATOM 547 CZ PHE A 37 -7.896 11.630 9.322 1.00 0.00 C ATOM 0 H PHE A 37 -5.324 9.236 7.792 1.00 0.00 H new ATOM 0 HA PHE A 37 -6.190 8.473 5.405 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -4.968 11.224 5.605 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -6.487 10.746 4.874 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -7.983 9.360 6.836 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -5.294 12.611 7.421 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -9.165 9.962 8.903 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -6.475 13.218 9.488 1.00 0.00 H new ATOM 0 HZ PHE A 37 -8.418 11.899 10.228 1.00 0.00 H new ATOM 557 N VAL A 38 -4.242 7.820 3.977 1.00 0.00 N ATOM 558 CA VAL A 38 -3.226 7.539 2.969 1.00 0.00 C ATOM 559 C VAL A 38 -3.089 8.700 1.991 1.00 0.00 C ATOM 560 O VAL A 38 -1.996 8.986 1.502 1.00 0.00 O ATOM 561 CB VAL A 38 -3.555 6.256 2.183 1.00 0.00 C ATOM 562 CG1 VAL A 38 -2.471 5.966 1.157 1.00 0.00 C ATOM 563 CG2 VAL A 38 -3.730 5.081 3.133 1.00 0.00 C ATOM 0 H VAL A 38 -4.939 7.084 4.089 1.00 0.00 H new ATOM 0 HA VAL A 38 -2.284 7.400 3.499 1.00 0.00 H new ATOM 0 HB VAL A 38 -4.494 6.407 1.651 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.721 5.056 0.611 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -2.399 6.800 0.458 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.515 5.834 1.665 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.962 4.182 2.561 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -2.808 4.926 3.694 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.545 5.291 3.825 1.00 0.00 H new ATOM 573 N TRP A 39 -4.203 9.366 1.710 1.00 0.00 N ATOM 574 CA TRP A 39 -4.206 10.497 0.790 1.00 0.00 C ATOM 575 C TRP A 39 -3.087 11.476 1.127 1.00 0.00 C ATOM 576 O TRP A 39 -2.530 11.445 2.223 1.00 0.00 O ATOM 577 CB TRP A 39 -5.557 11.213 0.834 1.00 0.00 C ATOM 578 CG TRP A 39 -5.536 12.563 0.182 1.00 0.00 C ATOM 579 CD1 TRP A 39 -5.376 13.769 0.800 1.00 0.00 C ATOM 580 CD2 TRP A 39 -5.682 12.841 -1.214 1.00 0.00 C ATOM 581 NE1 TRP A 39 -5.414 14.782 -0.128 1.00 0.00 N ATOM 582 CE2 TRP A 39 -5.599 14.239 -1.371 1.00 0.00 C ATOM 583 CE3 TRP A 39 -5.872 12.047 -2.348 1.00 0.00 C ATOM 584 CZ2 TRP A 39 -5.701 14.855 -2.615 1.00 0.00 C ATOM 585 CZ3 TRP A 39 -5.973 12.660 -3.582 1.00 0.00 C ATOM 586 CH2 TRP A 39 -5.887 14.053 -3.708 1.00 0.00 C ATOM 0 H TRP A 39 -5.116 9.142 2.106 1.00 0.00 H new ATOM 0 HA TRP A 39 -4.038 10.115 -0.217 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -6.305 10.592 0.342 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -5.868 11.324 1.873 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -5.240 13.907 1.862 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -5.320 15.777 0.076 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -5.939 10.973 -2.261 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -5.636 15.928 -2.714 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -6.121 12.055 -4.465 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -5.969 14.502 -4.687 1.00 0.00 H new ATOM 597 N GLY A 40 -2.761 12.345 0.174 1.00 0.00 N ATOM 598 CA GLY A 40 -1.708 13.321 0.390 1.00 0.00 C ATOM 599 C GLY A 40 -0.429 12.966 -0.341 1.00 0.00 C ATOM 600 O GLY A 40 -0.418 12.072 -1.189 1.00 0.00 O ATOM 0 H GLY A 40 -3.207 12.390 -0.742 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.052 14.301 0.059 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -1.503 13.399 1.458 1.00 0.00 H new ATOM 604 N LEU A 41 0.651 13.668 -0.018 1.00 0.00 N ATOM 605 CA LEU A 41 1.942 13.424 -0.651 1.00 0.00 C ATOM 606 C LEU A 41 2.118 11.943 -0.975 1.00 0.00 C ATOM 607 O LEU A 41 1.947 11.085 -0.110 1.00 0.00 O ATOM 608 CB LEU A 41 3.077 13.898 0.257 1.00 0.00 C ATOM 609 CG LEU A 41 4.359 14.344 -0.446 1.00 0.00 C ATOM 610 CD1 LEU A 41 5.236 15.146 0.501 1.00 0.00 C ATOM 611 CD2 LEU A 41 5.117 13.140 -0.988 1.00 0.00 C ATOM 0 H LEU A 41 0.658 14.412 0.680 1.00 0.00 H new ATOM 0 HA LEU A 41 1.973 13.988 -1.583 1.00 0.00 H new ATOM 0 HB2 LEU A 41 2.710 14.728 0.860 1.00 0.00 H new ATOM 0 HB3 LEU A 41 3.326 13.090 0.945 1.00 0.00 H new ATOM 0 HG LEU A 41 4.086 14.984 -1.285 1.00 0.00 H new ATOM 0 HD11 LEU A 41 6.144 15.455 -0.017 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.694 16.029 0.840 1.00 0.00 H new ATOM 0 HD13 LEU A 41 5.501 14.531 1.361 1.00 0.00 H new ATOM 0 HD21 LEU A 41 6.027 13.476 -1.485 1.00 0.00 H new ATOM 0 HD22 LEU A 41 5.378 12.474 -0.166 1.00 0.00 H new ATOM 0 HD23 LEU A 41 4.490 12.606 -1.702 1.00 0.00 H new ATOM 623 N ASN A 42 2.462 11.653 -2.225 1.00 0.00 N ATOM 624 CA ASN A 42 2.663 10.276 -2.662 1.00 0.00 C ATOM 625 C ASN A 42 1.376 9.467 -2.524 1.00 0.00 C ATOM 626 O ASN A 42 1.395 8.319 -2.081 1.00 0.00 O ATOM 627 CB ASN A 42 3.781 9.619 -1.849 1.00 0.00 C ATOM 628 CG ASN A 42 5.147 9.818 -2.478 1.00 0.00 C ATOM 629 OD1 ASN A 42 6.065 10.336 -1.844 1.00 0.00 O ATOM 630 ND2 ASN A 42 5.285 9.404 -3.733 1.00 0.00 N ATOM 0 H ASN A 42 2.607 12.352 -2.953 1.00 0.00 H new ATOM 0 HA ASN A 42 2.949 10.293 -3.714 1.00 0.00 H new ATOM 0 HB2 ASN A 42 3.785 10.033 -0.841 1.00 0.00 H new ATOM 0 HB3 ASN A 42 3.579 8.552 -1.755 1.00 0.00 H new ATOM 0 HD21 ASN A 42 6.181 9.510 -4.210 1.00 0.00 H new ATOM 0 HD22 ASN A 42 4.495 8.980 -4.220 1.00 0.00 H new ATOM 637 N LYS A 43 0.258 10.076 -2.907 1.00 0.00 N ATOM 638 CA LYS A 43 -1.039 9.413 -2.828 1.00 0.00 C ATOM 639 C LYS A 43 -0.901 7.915 -3.081 1.00 0.00 C ATOM 640 O LYS A 43 -1.436 7.100 -2.332 1.00 0.00 O ATOM 641 CB LYS A 43 -2.008 10.025 -3.842 1.00 0.00 C ATOM 642 CG LYS A 43 -2.362 11.473 -3.548 1.00 0.00 C ATOM 643 CD LYS A 43 -2.926 12.170 -4.775 1.00 0.00 C ATOM 644 CE LYS A 43 -1.832 12.498 -5.781 1.00 0.00 C ATOM 645 NZ LYS A 43 -0.999 13.649 -5.338 1.00 0.00 N ATOM 0 H LYS A 43 0.224 11.027 -3.275 1.00 0.00 H new ATOM 0 HA LYS A 43 -1.434 9.558 -1.822 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -1.567 9.962 -4.837 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.923 9.433 -3.861 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.091 11.513 -2.739 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -1.474 12.003 -3.204 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -3.675 11.533 -5.245 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -3.432 13.087 -4.474 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.197 11.624 -5.925 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -2.283 12.726 -6.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -0.367 13.939 -6.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -1.616 14.445 -5.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -0.430 13.369 -4.513 1.00 0.00 H new ATOM 659 N GLN A 44 -0.179 7.563 -4.140 1.00 0.00 N ATOM 660 CA GLN A 44 0.029 6.162 -4.489 1.00 0.00 C ATOM 661 C GLN A 44 0.627 5.392 -3.318 1.00 0.00 C ATOM 662 O GLN A 44 1.424 5.931 -2.549 1.00 0.00 O ATOM 663 CB GLN A 44 0.944 6.050 -5.710 1.00 0.00 C ATOM 664 CG GLN A 44 0.733 4.777 -6.513 1.00 0.00 C ATOM 665 CD GLN A 44 1.384 4.835 -7.882 1.00 0.00 C ATOM 666 OE1 GLN A 44 0.783 5.306 -8.848 1.00 0.00 O ATOM 667 NE2 GLN A 44 2.618 4.355 -7.971 1.00 0.00 N ATOM 0 H GLN A 44 0.271 8.227 -4.770 1.00 0.00 H new ATOM 0 HA GLN A 44 -0.941 5.725 -4.729 1.00 0.00 H new ATOM 0 HB2 GLN A 44 0.778 6.910 -6.358 1.00 0.00 H new ATOM 0 HB3 GLN A 44 1.982 6.094 -5.381 1.00 0.00 H new ATOM 0 HG2 GLN A 44 1.138 3.931 -5.958 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -0.336 4.599 -6.631 1.00 0.00 H new ATOM 0 HE21 GLN A 44 3.078 3.974 -7.144 1.00 0.00 H new ATOM 0 HE22 GLN A 44 3.107 4.367 -8.866 1.00 0.00 H new ATOM 676 N GLY A 45 0.239 4.127 -3.186 1.00 0.00 N ATOM 677 CA GLY A 45 0.747 3.303 -2.105 1.00 0.00 C ATOM 678 C GLY A 45 0.802 1.833 -2.472 1.00 0.00 C ATOM 679 O GLY A 45 1.027 1.483 -3.631 1.00 0.00 O ATOM 0 H GLY A 45 -0.419 3.658 -3.809 1.00 0.00 H new ATOM 0 HA2 GLY A 45 1.746 3.643 -1.831 1.00 0.00 H new ATOM 0 HA3 GLY A 45 0.115 3.431 -1.227 1.00 0.00 H new ATOM 683 N TYR A 46 0.596 0.971 -1.484 1.00 0.00 N ATOM 684 CA TYR A 46 0.626 -0.470 -1.708 1.00 0.00 C ATOM 685 C TYR A 46 -0.671 -1.121 -1.238 1.00 0.00 C ATOM 686 O TYR A 46 -1.245 -0.731 -0.221 1.00 0.00 O ATOM 687 CB TYR A 46 1.817 -1.096 -0.979 1.00 0.00 C ATOM 688 CG TYR A 46 3.158 -0.648 -1.515 1.00 0.00 C ATOM 689 CD1 TYR A 46 3.401 -0.598 -2.882 1.00 0.00 C ATOM 690 CD2 TYR A 46 4.181 -0.273 -0.654 1.00 0.00 C ATOM 691 CE1 TYR A 46 4.625 -0.191 -3.376 1.00 0.00 C ATOM 692 CE2 TYR A 46 5.409 0.138 -1.139 1.00 0.00 C ATOM 693 CZ TYR A 46 5.625 0.177 -2.501 1.00 0.00 C ATOM 694 OH TYR A 46 6.845 0.586 -2.989 1.00 0.00 O ATOM 0 H TYR A 46 0.406 1.244 -0.520 1.00 0.00 H new ATOM 0 HA TYR A 46 0.732 -0.644 -2.779 1.00 0.00 H new ATOM 0 HB2 TYR A 46 1.756 -0.846 0.080 1.00 0.00 H new ATOM 0 HB3 TYR A 46 1.749 -2.181 -1.055 1.00 0.00 H new ATOM 0 HD1 TYR A 46 2.619 -0.882 -3.571 1.00 0.00 H new ATOM 0 HD2 TYR A 46 4.015 -0.303 0.413 1.00 0.00 H new ATOM 0 HE1 TYR A 46 4.798 -0.161 -4.442 1.00 0.00 H new ATOM 0 HE2 TYR A 46 6.194 0.427 -0.456 1.00 0.00 H new ATOM 0 HH TYR A 46 6.722 1.009 -3.864 1.00 0.00 H new ATOM 704 N LYS A 47 -1.128 -2.121 -1.987 1.00 0.00 N ATOM 705 CA LYS A 47 -2.356 -2.830 -1.649 1.00 0.00 C ATOM 706 C LYS A 47 -2.246 -4.309 -2.005 1.00 0.00 C ATOM 707 O LYS A 47 -1.950 -4.662 -3.148 1.00 0.00 O ATOM 708 CB LYS A 47 -3.547 -2.206 -2.380 1.00 0.00 C ATOM 709 CG LYS A 47 -4.767 -3.110 -2.436 1.00 0.00 C ATOM 710 CD LYS A 47 -5.952 -2.407 -3.078 1.00 0.00 C ATOM 711 CE LYS A 47 -7.271 -2.905 -2.506 1.00 0.00 C ATOM 712 NZ LYS A 47 -8.432 -2.154 -3.058 1.00 0.00 N ATOM 0 H LYS A 47 -0.666 -2.458 -2.832 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.511 -2.744 -0.574 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -3.818 -1.273 -1.885 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.246 -1.952 -3.396 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.528 -4.011 -3.000 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -5.033 -3.427 -1.428 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -5.868 -1.332 -2.920 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -5.935 -2.573 -4.155 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -7.386 -3.966 -2.728 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -7.257 -2.806 -1.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -9.312 -2.522 -2.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -8.336 -1.145 -2.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -8.460 -2.269 -4.091 1.00 0.00 H new ATOM 726 N CYS A 48 -2.485 -5.169 -1.021 1.00 0.00 N ATOM 727 CA CYS A 48 -2.413 -6.611 -1.231 1.00 0.00 C ATOM 728 C CYS A 48 -3.643 -7.113 -1.982 1.00 0.00 C ATOM 729 O CYS A 48 -4.769 -6.996 -1.499 1.00 0.00 O ATOM 730 CB CYS A 48 -2.289 -7.337 0.109 1.00 0.00 C ATOM 731 SG CYS A 48 -1.724 -9.063 -0.029 1.00 0.00 S ATOM 0 H CYS A 48 -2.730 -4.893 -0.070 1.00 0.00 H new ATOM 0 HA CYS A 48 -1.530 -6.822 -1.834 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -1.594 -6.788 0.744 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -3.257 -7.322 0.609 1.00 0.00 H new ATOM 736 N ARG A 49 -3.419 -7.672 -3.167 1.00 0.00 N ATOM 737 CA ARG A 49 -4.507 -8.191 -3.986 1.00 0.00 C ATOM 738 C ARG A 49 -5.005 -9.528 -3.443 1.00 0.00 C ATOM 739 O ARG A 49 -5.797 -10.214 -4.089 1.00 0.00 O ATOM 740 CB ARG A 49 -4.050 -8.356 -5.436 1.00 0.00 C ATOM 741 CG ARG A 49 -2.771 -9.162 -5.584 1.00 0.00 C ATOM 742 CD ARG A 49 -2.729 -9.903 -6.911 1.00 0.00 C ATOM 743 NE ARG A 49 -3.735 -10.959 -6.981 1.00 0.00 N ATOM 744 CZ ARG A 49 -4.245 -11.414 -8.119 1.00 0.00 C ATOM 745 NH1 ARG A 49 -3.846 -10.908 -9.278 1.00 0.00 N ATOM 746 NH2 ARG A 49 -5.157 -12.378 -8.100 1.00 0.00 N ATOM 0 H ARG A 49 -2.493 -7.777 -3.581 1.00 0.00 H new ATOM 0 HA ARG A 49 -5.328 -7.475 -3.951 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -4.843 -8.841 -6.005 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -3.901 -7.370 -5.875 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -1.910 -8.497 -5.510 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -2.693 -9.877 -4.765 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -2.888 -9.197 -7.726 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -1.739 -10.336 -7.053 1.00 0.00 H new ATOM 0 HE ARG A 49 -4.064 -11.370 -6.107 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -3.145 -10.167 -9.297 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -4.240 -11.260 -10.151 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -5.467 -12.770 -7.211 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -5.548 -12.727 -8.975 1.00 0.00 H new ATOM 760 N GLN A 50 -4.534 -9.891 -2.255 1.00 0.00 N ATOM 761 CA GLN A 50 -4.931 -11.146 -1.627 1.00 0.00 C ATOM 762 C GLN A 50 -5.851 -10.893 -0.437 1.00 0.00 C ATOM 763 O GLN A 50 -7.002 -11.331 -0.425 1.00 0.00 O ATOM 764 CB GLN A 50 -3.696 -11.927 -1.175 1.00 0.00 C ATOM 765 CG GLN A 50 -2.760 -12.298 -2.314 1.00 0.00 C ATOM 766 CD GLN A 50 -3.164 -13.585 -3.006 1.00 0.00 C ATOM 767 OE1 GLN A 50 -2.887 -14.681 -2.516 1.00 0.00 O ATOM 768 NE2 GLN A 50 -3.824 -13.460 -4.152 1.00 0.00 N ATOM 0 H GLN A 50 -3.877 -9.334 -1.708 1.00 0.00 H new ATOM 0 HA GLN A 50 -5.476 -11.736 -2.364 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -3.148 -11.332 -0.444 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -4.017 -12.837 -0.669 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -2.742 -11.488 -3.043 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -1.746 -12.401 -1.927 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -4.033 -12.533 -4.522 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -4.122 -14.291 -4.662 1.00 0.00 H new ATOM 777 N CYS A 51 -5.336 -10.184 0.562 1.00 0.00 N ATOM 778 CA CYS A 51 -6.110 -9.873 1.757 1.00 0.00 C ATOM 779 C CYS A 51 -6.731 -8.482 1.657 1.00 0.00 C ATOM 780 O CYS A 51 -7.615 -8.128 2.435 1.00 0.00 O ATOM 781 CB CYS A 51 -5.223 -9.959 3.001 1.00 0.00 C ATOM 782 SG CYS A 51 -3.722 -8.930 2.917 1.00 0.00 S ATOM 0 H CYS A 51 -4.385 -9.814 0.567 1.00 0.00 H new ATOM 0 HA CYS A 51 -6.913 -10.605 1.840 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -5.807 -9.661 3.872 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -4.930 -10.998 3.154 1.00 0.00 H new ATOM 787 N ASN A 52 -6.260 -7.699 0.692 1.00 0.00 N ATOM 788 CA ASN A 52 -6.768 -6.346 0.490 1.00 0.00 C ATOM 789 C ASN A 52 -6.315 -5.422 1.615 1.00 0.00 C ATOM 790 O ASN A 52 -7.130 -4.739 2.236 1.00 0.00 O ATOM 791 CB ASN A 52 -8.296 -6.360 0.408 1.00 0.00 C ATOM 792 CG ASN A 52 -8.827 -7.608 -0.270 1.00 0.00 C ATOM 793 OD1 ASN A 52 -9.553 -8.397 0.336 1.00 0.00 O ATOM 794 ND2 ASN A 52 -8.468 -7.792 -1.535 1.00 0.00 N ATOM 0 H ASN A 52 -5.528 -7.977 0.038 1.00 0.00 H new ATOM 0 HA ASN A 52 -6.364 -5.969 -0.450 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -8.712 -6.291 1.413 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -8.636 -5.480 -0.139 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -8.796 -8.613 -2.044 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -7.865 -7.112 -1.998 1.00 0.00 H new ATOM 801 N ALA A 53 -5.012 -5.403 1.871 1.00 0.00 N ATOM 802 CA ALA A 53 -4.450 -4.561 2.919 1.00 0.00 C ATOM 803 C ALA A 53 -3.714 -3.364 2.326 1.00 0.00 C ATOM 804 O ALA A 53 -2.570 -3.481 1.888 1.00 0.00 O ATOM 805 CB ALA A 53 -3.516 -5.371 3.804 1.00 0.00 C ATOM 0 H ALA A 53 -4.324 -5.962 1.366 1.00 0.00 H new ATOM 0 HA ALA A 53 -5.272 -4.184 3.527 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -3.104 -4.729 4.582 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -4.070 -6.189 4.264 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -2.704 -5.777 3.201 1.00 0.00 H new ATOM 811 N ALA A 54 -4.379 -2.213 2.314 1.00 0.00 N ATOM 812 CA ALA A 54 -3.786 -0.994 1.775 1.00 0.00 C ATOM 813 C ALA A 54 -2.966 -0.268 2.835 1.00 0.00 C ATOM 814 O ALA A 54 -3.450 -0.009 3.938 1.00 0.00 O ATOM 815 CB ALA A 54 -4.870 -0.079 1.224 1.00 0.00 C ATOM 0 H ALA A 54 -5.328 -2.099 2.671 1.00 0.00 H new ATOM 0 HA ALA A 54 -3.115 -1.274 0.963 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -4.413 0.827 0.825 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -5.411 -0.593 0.429 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -5.563 0.186 2.022 1.00 0.00 H new ATOM 821 N ILE A 55 -1.724 0.058 2.495 1.00 0.00 N ATOM 822 CA ILE A 55 -0.837 0.755 3.418 1.00 0.00 C ATOM 823 C ILE A 55 0.043 1.760 2.682 1.00 0.00 C ATOM 824 O ILE A 55 0.014 1.844 1.455 1.00 0.00 O ATOM 825 CB ILE A 55 0.062 -0.231 4.189 1.00 0.00 C ATOM 826 CG1 ILE A 55 1.157 -0.778 3.273 1.00 0.00 C ATOM 827 CG2 ILE A 55 -0.771 -1.367 4.766 1.00 0.00 C ATOM 828 CD1 ILE A 55 2.218 -1.570 4.005 1.00 0.00 C ATOM 0 H ILE A 55 -1.309 -0.149 1.587 1.00 0.00 H new ATOM 0 HA ILE A 55 -1.473 1.284 4.128 1.00 0.00 H new ATOM 0 HB ILE A 55 0.536 0.301 5.014 1.00 0.00 H new ATOM 0 HG12 ILE A 55 0.701 -1.413 2.514 1.00 0.00 H new ATOM 0 HG13 ILE A 55 1.631 0.053 2.751 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -0.122 -2.055 5.308 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -1.518 -0.960 5.447 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -1.270 -1.900 3.957 1.00 0.00 H new ATOM 0 HD11 ILE A 55 2.962 -1.927 3.293 1.00 0.00 H new ATOM 0 HD12 ILE A 55 2.701 -0.933 4.746 1.00 0.00 H new ATOM 0 HD13 ILE A 55 1.756 -2.422 4.505 1.00 0.00 H new ATOM 840 N HIS A 56 0.827 2.518 3.441 1.00 0.00 N ATOM 841 CA HIS A 56 1.718 3.517 2.862 1.00 0.00 C ATOM 842 C HIS A 56 2.999 2.867 2.346 1.00 0.00 C ATOM 843 O HIS A 56 3.514 1.922 2.946 1.00 0.00 O ATOM 844 CB HIS A 56 2.058 4.591 3.895 1.00 0.00 C ATOM 845 CG HIS A 56 0.854 5.287 4.453 1.00 0.00 C ATOM 846 ND1 HIS A 56 -0.102 4.644 5.211 1.00 0.00 N ATOM 847 CD2 HIS A 56 0.455 6.576 4.360 1.00 0.00 C ATOM 848 CE1 HIS A 56 -1.038 5.510 5.559 1.00 0.00 C ATOM 849 NE2 HIS A 56 -0.723 6.689 5.056 1.00 0.00 N ATOM 0 H HIS A 56 0.864 2.460 4.459 1.00 0.00 H new ATOM 0 HA HIS A 56 1.203 3.983 2.022 1.00 0.00 H new ATOM 0 HB2 HIS A 56 2.615 4.134 4.713 1.00 0.00 H new ATOM 0 HB3 HIS A 56 2.715 5.330 3.436 1.00 0.00 H new ATOM 0 HD2 HIS A 56 0.968 7.369 3.836 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -1.912 5.290 6.154 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -1.267 7.545 5.166 1.00 0.00 H new ATOM 857 N LYS A 57 3.510 3.379 1.231 1.00 0.00 N ATOM 858 CA LYS A 57 4.731 2.849 0.636 1.00 0.00 C ATOM 859 C LYS A 57 5.824 2.688 1.687 1.00 0.00 C ATOM 860 O LYS A 57 6.688 1.819 1.571 1.00 0.00 O ATOM 861 CB LYS A 57 5.217 3.772 -0.485 1.00 0.00 C ATOM 862 CG LYS A 57 6.142 3.088 -1.477 1.00 0.00 C ATOM 863 CD LYS A 57 7.111 4.075 -2.107 1.00 0.00 C ATOM 864 CE LYS A 57 8.341 4.280 -1.237 1.00 0.00 C ATOM 865 NZ LYS A 57 8.122 5.333 -0.205 1.00 0.00 N ATOM 0 H LYS A 57 3.097 4.160 0.721 1.00 0.00 H new ATOM 0 HA LYS A 57 4.507 1.867 0.219 1.00 0.00 H new ATOM 0 HB2 LYS A 57 4.353 4.167 -1.019 1.00 0.00 H new ATOM 0 HB3 LYS A 57 5.736 4.623 -0.044 1.00 0.00 H new ATOM 0 HG2 LYS A 57 6.701 2.300 -0.972 1.00 0.00 H new ATOM 0 HG3 LYS A 57 5.550 2.609 -2.257 1.00 0.00 H new ATOM 0 HD2 LYS A 57 7.415 3.712 -3.089 1.00 0.00 H new ATOM 0 HD3 LYS A 57 6.610 5.031 -2.261 1.00 0.00 H new ATOM 0 HE2 LYS A 57 8.601 3.341 -0.748 1.00 0.00 H new ATOM 0 HE3 LYS A 57 9.188 4.557 -1.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 9.022 5.813 -0.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 7.432 6.027 -0.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 7.759 4.895 0.666 1.00 0.00 H new ATOM 879 N LYS A 58 5.780 3.530 2.713 1.00 0.00 N ATOM 880 CA LYS A 58 6.765 3.481 3.787 1.00 0.00 C ATOM 881 C LYS A 58 6.324 2.518 4.886 1.00 0.00 C ATOM 882 O LYS A 58 7.154 1.904 5.558 1.00 0.00 O ATOM 883 CB LYS A 58 6.980 4.877 4.375 1.00 0.00 C ATOM 884 CG LYS A 58 5.984 5.240 5.464 1.00 0.00 C ATOM 885 CD LYS A 58 6.499 4.857 6.840 1.00 0.00 C ATOM 886 CE LYS A 58 5.423 5.023 7.903 1.00 0.00 C ATOM 887 NZ LYS A 58 5.905 4.607 9.250 1.00 0.00 N ATOM 0 H LYS A 58 5.072 4.256 2.824 1.00 0.00 H new ATOM 0 HA LYS A 58 7.705 3.122 3.368 1.00 0.00 H new ATOM 0 HB2 LYS A 58 7.989 4.939 4.782 1.00 0.00 H new ATOM 0 HB3 LYS A 58 6.914 5.613 3.574 1.00 0.00 H new ATOM 0 HG2 LYS A 58 5.785 6.311 5.434 1.00 0.00 H new ATOM 0 HG3 LYS A 58 5.037 4.735 5.275 1.00 0.00 H new ATOM 0 HD2 LYS A 58 6.842 3.823 6.826 1.00 0.00 H new ATOM 0 HD3 LYS A 58 7.360 5.475 7.093 1.00 0.00 H new ATOM 0 HE2 LYS A 58 5.104 6.065 7.937 1.00 0.00 H new ATOM 0 HE3 LYS A 58 4.549 4.431 7.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 5.137 4.125 9.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 6.712 3.959 9.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 6.203 5.447 9.787 1.00 0.00 H new ATOM 901 N CYS A 59 5.013 2.389 5.062 1.00 0.00 N ATOM 902 CA CYS A 59 4.461 1.501 6.078 1.00 0.00 C ATOM 903 C CYS A 59 4.809 0.046 5.774 1.00 0.00 C ATOM 904 O CYS A 59 4.763 -0.811 6.657 1.00 0.00 O ATOM 905 CB CYS A 59 2.943 1.667 6.160 1.00 0.00 C ATOM 906 SG CYS A 59 2.397 2.922 7.364 1.00 0.00 S ATOM 0 H CYS A 59 4.313 2.889 4.514 1.00 0.00 H new ATOM 0 HA CYS A 59 4.901 1.769 7.038 1.00 0.00 H new ATOM 0 HB2 CYS A 59 2.564 1.935 5.174 1.00 0.00 H new ATOM 0 HB3 CYS A 59 2.497 0.708 6.423 1.00 0.00 H new ATOM 911 N ILE A 60 5.156 -0.225 4.520 1.00 0.00 N ATOM 912 CA ILE A 60 5.513 -1.574 4.101 1.00 0.00 C ATOM 913 C ILE A 60 6.703 -2.100 4.895 1.00 0.00 C ATOM 914 O ILE A 60 6.747 -3.274 5.263 1.00 0.00 O ATOM 915 CB ILE A 60 5.849 -1.627 2.598 1.00 0.00 C ATOM 916 CG1 ILE A 60 5.494 -2.999 2.022 1.00 0.00 C ATOM 917 CG2 ILE A 60 7.320 -1.317 2.374 1.00 0.00 C ATOM 918 CD1 ILE A 60 5.600 -3.066 0.515 1.00 0.00 C ATOM 0 H ILE A 60 5.197 0.472 3.777 1.00 0.00 H new ATOM 0 HA ILE A 60 4.644 -2.204 4.293 1.00 0.00 H new ATOM 0 HB ILE A 60 5.256 -0.873 2.081 1.00 0.00 H new ATOM 0 HG12 ILE A 60 6.153 -3.749 2.458 1.00 0.00 H new ATOM 0 HG13 ILE A 60 4.477 -3.257 2.319 1.00 0.00 H new ATOM 0 HG21 ILE A 60 7.542 -1.358 1.308 1.00 0.00 H new ATOM 0 HG22 ILE A 60 7.543 -0.320 2.753 1.00 0.00 H new ATOM 0 HG23 ILE A 60 7.931 -2.050 2.901 1.00 0.00 H new ATOM 0 HD11 ILE A 60 5.334 -4.067 0.176 1.00 0.00 H new ATOM 0 HD12 ILE A 60 4.920 -2.340 0.070 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.622 -2.840 0.212 1.00 0.00 H new ATOM 930 N ASP A 61 7.666 -1.224 5.157 1.00 0.00 N ATOM 931 CA ASP A 61 8.856 -1.599 5.911 1.00 0.00 C ATOM 932 C ASP A 61 8.557 -1.658 7.405 1.00 0.00 C ATOM 933 O ASP A 61 9.433 -1.970 8.214 1.00 0.00 O ATOM 934 CB ASP A 61 9.990 -0.606 5.645 1.00 0.00 C ATOM 935 CG ASP A 61 11.352 -1.179 5.976 1.00 0.00 C ATOM 936 OD1 ASP A 61 11.662 -2.288 5.493 1.00 0.00 O ATOM 937 OD2 ASP A 61 12.109 -0.520 6.721 1.00 0.00 O ATOM 0 H ASP A 61 7.646 -0.249 4.858 1.00 0.00 H new ATOM 0 HA ASP A 61 9.166 -2.590 5.581 1.00 0.00 H new ATOM 0 HB2 ASP A 61 9.970 -0.308 4.597 1.00 0.00 H new ATOM 0 HB3 ASP A 61 9.825 0.295 6.235 1.00 0.00 H new ATOM 942 N LYS A 62 7.315 -1.356 7.768 1.00 0.00 N ATOM 943 CA LYS A 62 6.898 -1.374 9.165 1.00 0.00 C ATOM 944 C LYS A 62 6.133 -2.653 9.487 1.00 0.00 C ATOM 945 O LYS A 62 6.256 -3.203 10.582 1.00 0.00 O ATOM 946 CB LYS A 62 6.029 -0.154 9.476 1.00 0.00 C ATOM 947 CG LYS A 62 6.741 1.170 9.265 1.00 0.00 C ATOM 948 CD LYS A 62 7.589 1.545 10.470 1.00 0.00 C ATOM 949 CE LYS A 62 6.745 2.160 11.575 1.00 0.00 C ATOM 950 NZ LYS A 62 7.583 2.857 12.590 1.00 0.00 N ATOM 0 H LYS A 62 6.578 -1.095 7.112 1.00 0.00 H new ATOM 0 HA LYS A 62 7.793 -1.341 9.786 1.00 0.00 H new ATOM 0 HB2 LYS A 62 5.139 -0.183 8.847 1.00 0.00 H new ATOM 0 HB3 LYS A 62 5.690 -0.214 10.510 1.00 0.00 H new ATOM 0 HG2 LYS A 62 7.373 1.107 8.379 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.007 1.953 9.078 1.00 0.00 H new ATOM 0 HD2 LYS A 62 8.097 0.658 10.849 1.00 0.00 H new ATOM 0 HD3 LYS A 62 8.363 2.250 10.167 1.00 0.00 H new ATOM 0 HE2 LYS A 62 6.037 2.866 11.141 1.00 0.00 H new ATOM 0 HE3 LYS A 62 6.159 1.380 12.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 6.971 3.263 13.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 8.241 2.178 13.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 8.123 3.618 12.131 1.00 0.00 H new ATOM 964 N ILE A 63 5.343 -3.123 8.527 1.00 0.00 N ATOM 965 CA ILE A 63 4.559 -4.339 8.708 1.00 0.00 C ATOM 966 C ILE A 63 5.294 -5.340 9.593 1.00 0.00 C ATOM 967 O ILE A 63 6.522 -5.426 9.561 1.00 0.00 O ATOM 968 CB ILE A 63 4.234 -5.005 7.358 1.00 0.00 C ATOM 969 CG1 ILE A 63 3.346 -4.090 6.514 1.00 0.00 C ATOM 970 CG2 ILE A 63 3.559 -6.351 7.582 1.00 0.00 C ATOM 971 CD1 ILE A 63 3.107 -4.605 5.111 1.00 0.00 C ATOM 0 H ILE A 63 5.229 -2.680 7.615 1.00 0.00 H new ATOM 0 HA ILE A 63 3.628 -4.045 9.192 1.00 0.00 H new ATOM 0 HB ILE A 63 5.166 -5.173 6.818 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.386 -3.966 7.015 1.00 0.00 H new ATOM 0 HG13 ILE A 63 3.806 -3.103 6.457 1.00 0.00 H new ATOM 0 HG21 ILE A 63 3.335 -6.810 6.619 1.00 0.00 H new ATOM 0 HG22 ILE A 63 4.225 -7.002 8.149 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.633 -6.206 8.139 1.00 0.00 H new ATOM 0 HD11 ILE A 63 2.469 -3.906 4.570 1.00 0.00 H new ATOM 0 HD12 ILE A 63 4.060 -4.702 4.592 1.00 0.00 H new ATOM 0 HD13 ILE A 63 2.619 -5.578 5.159 1.00 0.00 H new ATOM 983 N ILE A 64 4.535 -6.094 10.380 1.00 0.00 N ATOM 984 CA ILE A 64 5.115 -7.091 11.272 1.00 0.00 C ATOM 985 C ILE A 64 4.448 -8.450 11.085 1.00 0.00 C ATOM 986 O ILE A 64 5.118 -9.457 10.865 1.00 0.00 O ATOM 987 CB ILE A 64 4.988 -6.668 12.747 1.00 0.00 C ATOM 988 CG1 ILE A 64 5.677 -5.321 12.975 1.00 0.00 C ATOM 989 CG2 ILE A 64 5.583 -7.733 13.656 1.00 0.00 C ATOM 990 CD1 ILE A 64 5.309 -4.668 14.289 1.00 0.00 C ATOM 0 H ILE A 64 3.517 -6.034 10.419 1.00 0.00 H new ATOM 0 HA ILE A 64 6.171 -7.169 11.015 1.00 0.00 H new ATOM 0 HB ILE A 64 3.931 -6.560 12.989 1.00 0.00 H new ATOM 0 HG12 ILE A 64 6.757 -5.464 12.940 1.00 0.00 H new ATOM 0 HG13 ILE A 64 5.418 -4.647 12.159 1.00 0.00 H new ATOM 0 HG21 ILE A 64 5.486 -7.420 14.696 1.00 0.00 H new ATOM 0 HG22 ILE A 64 5.053 -8.674 13.509 1.00 0.00 H new ATOM 0 HG23 ILE A 64 6.637 -7.869 13.415 1.00 0.00 H new ATOM 0 HD11 ILE A 64 5.834 -3.718 14.383 1.00 0.00 H new ATOM 0 HD12 ILE A 64 4.234 -4.493 14.320 1.00 0.00 H new ATOM 0 HD13 ILE A 64 5.594 -5.323 15.113 1.00 0.00 H new ATOM 1002 N GLY A 65 3.120 -8.467 11.172 1.00 0.00 N ATOM 1003 CA GLY A 65 2.384 -9.708 11.009 1.00 0.00 C ATOM 1004 C GLY A 65 2.626 -10.352 9.659 1.00 0.00 C ATOM 1005 O GLY A 65 3.567 -9.991 8.951 1.00 0.00 O ATOM 0 H GLY A 65 2.543 -7.646 11.352 1.00 0.00 H new ATOM 0 HA2 GLY A 65 2.672 -10.404 11.797 1.00 0.00 H new ATOM 0 HA3 GLY A 65 1.318 -9.513 11.130 1.00 0.00 H new ATOM 1009 N ARG A 66 1.777 -11.310 9.301 1.00 0.00 N ATOM 1010 CA ARG A 66 1.906 -12.009 8.028 1.00 0.00 C ATOM 1011 C ARG A 66 0.618 -11.905 7.217 1.00 0.00 C ATOM 1012 O ARG A 66 -0.376 -11.346 7.681 1.00 0.00 O ATOM 1013 CB ARG A 66 2.256 -13.480 8.263 1.00 0.00 C ATOM 1014 CG ARG A 66 3.570 -13.685 8.998 1.00 0.00 C ATOM 1015 CD ARG A 66 3.739 -15.128 9.448 1.00 0.00 C ATOM 1016 NE ARG A 66 3.840 -16.046 8.317 1.00 0.00 N ATOM 1017 CZ ARG A 66 3.912 -17.366 8.447 1.00 0.00 C ATOM 1018 NH1 ARG A 66 3.892 -17.919 9.651 1.00 0.00 N ATOM 1019 NH2 ARG A 66 4.002 -18.135 7.369 1.00 0.00 N ATOM 0 H ARG A 66 0.993 -11.620 9.875 1.00 0.00 H new ATOM 0 HA ARG A 66 2.710 -11.537 7.463 1.00 0.00 H new ATOM 0 HB2 ARG A 66 1.454 -13.949 8.833 1.00 0.00 H new ATOM 0 HB3 ARG A 66 2.304 -13.991 7.301 1.00 0.00 H new ATOM 0 HG2 ARG A 66 4.399 -13.406 8.347 1.00 0.00 H new ATOM 0 HG3 ARG A 66 3.610 -13.026 9.865 1.00 0.00 H new ATOM 0 HD2 ARG A 66 4.634 -15.213 10.065 1.00 0.00 H new ATOM 0 HD3 ARG A 66 2.893 -15.414 10.073 1.00 0.00 H new ATOM 0 HE ARG A 66 3.856 -15.652 7.376 1.00 0.00 H new ATOM 0 HH11 ARG A 66 3.821 -17.331 10.481 1.00 0.00 H new ATOM 0 HH12 ARG A 66 3.947 -18.933 9.748 1.00 0.00 H new ATOM 0 HH21 ARG A 66 4.016 -17.712 6.441 1.00 0.00 H new ATOM 0 HH22 ARG A 66 4.057 -19.149 7.469 1.00 0.00 H new ATOM 1033 N CYS A 67 0.643 -12.445 6.004 1.00 0.00 N ATOM 1034 CA CYS A 67 -0.521 -12.412 5.127 1.00 0.00 C ATOM 1035 C CYS A 67 -1.476 -13.557 5.447 1.00 0.00 C ATOM 1036 O CYS A 67 -1.047 -14.672 5.748 1.00 0.00 O ATOM 1037 CB CYS A 67 -0.086 -12.490 3.663 1.00 0.00 C ATOM 1038 SG CYS A 67 -1.412 -12.119 2.471 1.00 0.00 S ATOM 0 H CYS A 67 1.458 -12.911 5.605 1.00 0.00 H new ATOM 0 HA CYS A 67 -1.043 -11.470 5.294 1.00 0.00 H new ATOM 0 HB2 CYS A 67 0.737 -11.794 3.502 1.00 0.00 H new ATOM 0 HB3 CYS A 67 0.299 -13.490 3.462 1.00 0.00 H new ATOM 1043 N THR A 68 -2.773 -13.276 5.379 1.00 0.00 N ATOM 1044 CA THR A 68 -3.789 -14.283 5.663 1.00 0.00 C ATOM 1045 C THR A 68 -4.773 -14.411 4.506 1.00 0.00 C ATOM 1046 O THR A 68 -5.951 -14.701 4.709 1.00 0.00 O ATOM 1047 CB THR A 68 -4.568 -13.948 6.949 1.00 0.00 C ATOM 1048 OG1 THR A 68 -5.044 -12.598 6.897 1.00 0.00 O ATOM 1049 CG2 THR A 68 -3.690 -14.134 8.177 1.00 0.00 C ATOM 0 H THR A 68 -3.145 -12.360 5.130 1.00 0.00 H new ATOM 0 HA THR A 68 -3.267 -15.230 5.800 1.00 0.00 H new ATOM 0 HB THR A 68 -5.416 -14.629 7.021 1.00 0.00 H new ATOM 0 HG1 THR A 68 -5.539 -12.394 7.718 1.00 0.00 H new ATOM 0 HG21 THR A 68 -4.261 -13.892 9.073 1.00 0.00 H new ATOM 0 HG22 THR A 68 -3.354 -15.169 8.230 1.00 0.00 H new ATOM 0 HG23 THR A 68 -2.825 -13.474 8.109 1.00 0.00 H new ATOM 1057 N GLY A 69 -4.281 -14.193 3.290 1.00 0.00 N ATOM 1058 CA GLY A 69 -5.131 -14.290 2.118 1.00 0.00 C ATOM 1059 C GLY A 69 -4.987 -15.621 1.405 1.00 0.00 C ATOM 1060 O GLY A 69 -5.936 -16.114 0.794 1.00 0.00 O ATOM 0 H GLY A 69 -3.309 -13.951 3.096 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -6.171 -14.151 2.415 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -4.886 -13.483 1.427 1.00 0.00 H new ATOM 1064 N THR A 70 -3.794 -16.205 1.481 1.00 0.00 N ATOM 1065 CA THR A 70 -3.528 -17.484 0.836 1.00 0.00 C ATOM 1066 C THR A 70 -4.311 -18.609 1.503 1.00 0.00 C ATOM 1067 O THR A 70 -4.284 -19.753 1.047 1.00 0.00 O ATOM 1068 CB THR A 70 -2.027 -17.829 0.870 1.00 0.00 C ATOM 1069 OG1 THR A 70 -1.751 -18.906 -0.031 1.00 0.00 O ATOM 1070 CG2 THR A 70 -1.591 -18.213 2.276 1.00 0.00 C ATOM 0 H THR A 70 -2.998 -15.812 1.983 1.00 0.00 H new ATOM 0 HA THR A 70 -3.848 -17.387 -0.202 1.00 0.00 H new ATOM 0 HB THR A 70 -1.467 -16.946 0.562 1.00 0.00 H new ATOM 0 HG1 THR A 70 -2.439 -19.597 0.065 1.00 0.00 H new ATOM 0 HG21 THR A 70 -0.528 -18.452 2.275 1.00 0.00 H new ATOM 0 HG22 THR A 70 -1.775 -17.380 2.954 1.00 0.00 H new ATOM 0 HG23 THR A 70 -2.158 -19.083 2.608 1.00 0.00 H new ATOM 1078 N ALA A 71 -5.009 -18.279 2.584 1.00 0.00 N ATOM 1079 CA ALA A 71 -5.802 -19.261 3.312 1.00 0.00 C ATOM 1080 C ALA A 71 -6.392 -20.301 2.366 1.00 0.00 C ATOM 1081 O ALA A 71 -7.426 -20.069 1.740 1.00 0.00 O ATOM 1082 CB ALA A 71 -6.909 -18.570 4.096 1.00 0.00 C ATOM 0 H ALA A 71 -5.041 -17.338 2.975 1.00 0.00 H new ATOM 0 HA ALA A 71 -5.143 -19.776 4.011 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -7.493 -19.316 4.635 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -6.469 -17.871 4.807 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -7.558 -18.028 3.408 1.00 0.00 H new ATOM 1088 N ALA A 72 -5.727 -21.447 2.265 1.00 0.00 N ATOM 1089 CA ALA A 72 -6.186 -22.522 1.395 1.00 0.00 C ATOM 1090 C ALA A 72 -7.710 -22.591 1.366 1.00 0.00 C ATOM 1091 O ALA A 72 -8.360 -22.596 2.410 1.00 0.00 O ATOM 1092 CB ALA A 72 -5.605 -23.853 1.848 1.00 0.00 C ATOM 0 H ALA A 72 -4.868 -21.655 2.775 1.00 0.00 H new ATOM 0 HA ALA A 72 -5.837 -22.311 0.384 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -5.957 -24.647 1.189 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -4.517 -23.806 1.811 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -5.925 -24.061 2.869 1.00 0.00 H new ATOM 1098 N ASN A 73 -8.272 -22.646 0.163 1.00 0.00 N ATOM 1099 CA ASN A 73 -9.720 -22.714 -0.001 1.00 0.00 C ATOM 1100 C ASN A 73 -10.217 -24.148 0.147 1.00 0.00 C ATOM 1101 O ASN A 73 -11.241 -24.398 0.783 1.00 0.00 O ATOM 1102 CB ASN A 73 -10.125 -22.160 -1.370 1.00 0.00 C ATOM 1103 CG ASN A 73 -11.412 -22.776 -1.884 1.00 0.00 C ATOM 1104 OD1 ASN A 73 -12.362 -22.977 -1.128 1.00 0.00 O ATOM 1105 ND2 ASN A 73 -11.448 -23.078 -3.177 1.00 0.00 N ATOM 0 H ASN A 73 -7.748 -22.645 -0.712 1.00 0.00 H new ATOM 0 HA ASN A 73 -10.179 -22.107 0.780 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -10.245 -21.079 -1.301 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -9.325 -22.347 -2.086 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -12.287 -23.494 -3.580 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -10.636 -22.894 -3.767 1.00 0.00 H new ATOM 1112 N SER A 74 -9.485 -25.087 -0.444 1.00 0.00 N ATOM 1113 CA SER A 74 -9.854 -26.497 -0.380 1.00 0.00 C ATOM 1114 C SER A 74 -9.759 -27.018 1.051 1.00 0.00 C ATOM 1115 O SER A 74 -9.229 -26.346 1.935 1.00 0.00 O ATOM 1116 CB SER A 74 -8.950 -27.323 -1.297 1.00 0.00 C ATOM 1117 OG SER A 74 -9.615 -28.489 -1.752 1.00 0.00 O ATOM 0 H SER A 74 -8.633 -24.897 -0.972 1.00 0.00 H new ATOM 0 HA SER A 74 -10.886 -26.594 -0.716 1.00 0.00 H new ATOM 0 HB2 SER A 74 -8.643 -26.719 -2.151 1.00 0.00 H new ATOM 0 HB3 SER A 74 -8.043 -27.603 -0.762 1.00 0.00 H new ATOM 0 HG SER A 74 -9.017 -28.999 -2.338 1.00 0.00 H new ATOM 1123 N ARG A 75 -10.278 -28.223 1.270 1.00 0.00 N ATOM 1124 CA ARG A 75 -10.254 -28.835 2.592 1.00 0.00 C ATOM 1125 C ARG A 75 -8.863 -28.738 3.211 1.00 0.00 C ATOM 1126 O ARG A 75 -7.962 -29.502 2.863 1.00 0.00 O ATOM 1127 CB ARG A 75 -10.684 -30.301 2.507 1.00 0.00 C ATOM 1128 CG ARG A 75 -12.176 -30.484 2.277 1.00 0.00 C ATOM 1129 CD ARG A 75 -12.659 -31.825 2.806 1.00 0.00 C ATOM 1130 NE ARG A 75 -12.863 -31.802 4.252 1.00 0.00 N ATOM 1131 CZ ARG A 75 -13.482 -32.767 4.923 1.00 0.00 C ATOM 1132 NH1 ARG A 75 -13.954 -33.827 4.282 1.00 0.00 N ATOM 1133 NH2 ARG A 75 -13.628 -32.674 6.239 1.00 0.00 N ATOM 0 H ARG A 75 -10.720 -28.793 0.549 1.00 0.00 H new ATOM 0 HA ARG A 75 -10.955 -28.294 3.228 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -10.138 -30.785 1.697 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -10.402 -30.808 3.430 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -12.723 -29.679 2.768 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -12.393 -30.412 1.211 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -13.593 -32.094 2.312 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -11.932 -32.597 2.555 1.00 0.00 H new ATOM 0 HE ARG A 75 -12.511 -31.001 4.776 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -13.842 -33.903 3.271 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -14.429 -34.566 4.800 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -13.265 -31.861 6.736 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -14.104 -33.416 6.753 1.00 0.00 H new ATOM 1147 N ASP A 76 -8.695 -27.794 4.131 1.00 0.00 N ATOM 1148 CA ASP A 76 -7.414 -27.597 4.800 1.00 0.00 C ATOM 1149 C ASP A 76 -7.578 -27.650 6.316 1.00 0.00 C ATOM 1150 O ASP A 76 -8.697 -27.687 6.829 1.00 0.00 O ATOM 1151 CB ASP A 76 -6.800 -26.258 4.388 1.00 0.00 C ATOM 1152 CG ASP A 76 -5.391 -26.079 4.919 1.00 0.00 C ATOM 1153 OD1 ASP A 76 -4.593 -27.036 4.819 1.00 0.00 O ATOM 1154 OD2 ASP A 76 -5.086 -24.983 5.433 1.00 0.00 O ATOM 0 H ASP A 76 -9.430 -27.153 4.430 1.00 0.00 H new ATOM 0 HA ASP A 76 -6.746 -28.403 4.497 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -6.787 -26.187 3.300 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -7.429 -25.446 4.753 1.00 0.00 H new ATOM 1159 N THR A 77 -6.456 -27.655 7.028 1.00 0.00 N ATOM 1160 CA THR A 77 -6.475 -27.705 8.484 1.00 0.00 C ATOM 1161 C THR A 77 -5.993 -26.390 9.087 1.00 0.00 C ATOM 1162 O THR A 77 -5.239 -26.381 10.059 1.00 0.00 O ATOM 1163 CB THR A 77 -5.597 -28.852 9.017 1.00 0.00 C ATOM 1164 OG1 THR A 77 -4.284 -28.769 8.452 1.00 0.00 O ATOM 1165 CG2 THR A 77 -6.212 -30.204 8.687 1.00 0.00 C ATOM 0 H THR A 77 -5.522 -27.625 6.619 1.00 0.00 H new ATOM 0 HA THR A 77 -7.509 -27.879 8.780 1.00 0.00 H new ATOM 0 HB THR A 77 -5.532 -28.755 10.101 1.00 0.00 H new ATOM 0 HG1 THR A 77 -3.732 -29.501 8.798 1.00 0.00 H new ATOM 0 HG21 THR A 77 -5.574 -30.998 9.074 1.00 0.00 H new ATOM 0 HG22 THR A 77 -7.199 -30.276 9.145 1.00 0.00 H new ATOM 0 HG23 THR A 77 -6.305 -30.307 7.606 1.00 0.00 H new ATOM 1173 N SER A 78 -6.435 -25.280 8.503 1.00 0.00 N ATOM 1174 CA SER A 78 -6.046 -23.958 8.980 1.00 0.00 C ATOM 1175 C SER A 78 -7.269 -23.157 9.416 1.00 0.00 C ATOM 1176 O SER A 78 -7.824 -22.380 8.641 1.00 0.00 O ATOM 1177 CB SER A 78 -5.288 -23.201 7.890 1.00 0.00 C ATOM 1178 OG SER A 78 -3.933 -23.614 7.829 1.00 0.00 O ATOM 0 H SER A 78 -7.063 -25.270 7.699 1.00 0.00 H new ATOM 0 HA SER A 78 -5.392 -24.088 9.842 1.00 0.00 H new ATOM 0 HB2 SER A 78 -5.767 -23.370 6.925 1.00 0.00 H new ATOM 0 HB3 SER A 78 -5.336 -22.130 8.086 1.00 0.00 H new ATOM 0 HG SER A 78 -3.803 -24.197 7.052 1.00 0.00 H new ATOM 1184 N GLY A 79 -7.685 -23.353 10.664 1.00 0.00 N ATOM 1185 CA GLY A 79 -8.838 -22.642 11.182 1.00 0.00 C ATOM 1186 C GLY A 79 -8.924 -22.700 12.694 1.00 0.00 C ATOM 1187 O GLY A 79 -9.634 -23.529 13.266 1.00 0.00 O ATOM 0 H GLY A 79 -7.243 -23.992 11.325 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -8.792 -21.601 10.864 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -9.746 -23.067 10.753 1.00 0.00 H new ATOM 1191 N PRO A 80 -8.187 -21.805 13.368 1.00 0.00 N ATOM 1192 CA PRO A 80 -8.165 -21.738 14.832 1.00 0.00 C ATOM 1193 C PRO A 80 -9.483 -21.233 15.409 1.00 0.00 C ATOM 1194 O PRO A 80 -9.859 -20.078 15.206 1.00 0.00 O ATOM 1195 CB PRO A 80 -7.038 -20.745 15.125 1.00 0.00 C ATOM 1196 CG PRO A 80 -6.955 -19.894 13.905 1.00 0.00 C ATOM 1197 CD PRO A 80 -7.318 -20.788 12.752 1.00 0.00 C ATOM 0 HA PRO A 80 -8.015 -22.719 15.282 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -7.257 -20.148 16.010 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -6.096 -21.260 15.313 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -7.638 -19.047 13.972 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -5.952 -19.485 13.782 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -7.837 -20.239 11.966 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -6.434 -21.236 12.298 1.00 0.00 H new ATOM 1205 N SER A 81 -10.182 -22.105 16.130 1.00 0.00 N ATOM 1206 CA SER A 81 -11.460 -21.748 16.734 1.00 0.00 C ATOM 1207 C SER A 81 -11.257 -21.166 18.129 1.00 0.00 C ATOM 1208 O SER A 81 -10.576 -21.757 18.967 1.00 0.00 O ATOM 1209 CB SER A 81 -12.373 -22.972 16.806 1.00 0.00 C ATOM 1210 OG SER A 81 -13.142 -23.107 15.624 1.00 0.00 O ATOM 0 H SER A 81 -9.884 -23.064 16.310 1.00 0.00 H new ATOM 0 HA SER A 81 -11.931 -20.990 16.109 1.00 0.00 H new ATOM 0 HB2 SER A 81 -11.772 -23.869 16.957 1.00 0.00 H new ATOM 0 HB3 SER A 81 -13.036 -22.884 17.667 1.00 0.00 H new ATOM 0 HG SER A 81 -13.716 -23.898 15.696 1.00 0.00 H new ATOM 1216 N SER A 82 -11.854 -20.004 18.371 1.00 0.00 N ATOM 1217 CA SER A 82 -11.737 -19.338 19.663 1.00 0.00 C ATOM 1218 C SER A 82 -12.984 -18.511 19.963 1.00 0.00 C ATOM 1219 O SER A 82 -13.726 -18.136 19.057 1.00 0.00 O ATOM 1220 CB SER A 82 -10.497 -18.443 19.690 1.00 0.00 C ATOM 1221 OG SER A 82 -10.243 -17.963 20.999 1.00 0.00 O ATOM 0 H SER A 82 -12.424 -19.504 17.689 1.00 0.00 H new ATOM 0 HA SER A 82 -11.638 -20.105 20.431 1.00 0.00 H new ATOM 0 HB2 SER A 82 -9.633 -19.002 19.330 1.00 0.00 H new ATOM 0 HB3 SER A 82 -10.637 -17.602 19.011 1.00 0.00 H new ATOM 0 HG SER A 82 -9.445 -17.395 20.990 1.00 0.00 H new ATOM 1227 N GLY A 83 -13.205 -18.228 21.244 1.00 0.00 N ATOM 1228 CA GLY A 83 -14.361 -17.447 21.641 1.00 0.00 C ATOM 1229 C GLY A 83 -14.659 -17.565 23.123 1.00 0.00 C ATOM 1230 O GLY A 83 -13.901 -18.221 23.836 1.00 0.00 O ATOM 0 H GLY A 83 -12.604 -18.526 22.013 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -14.192 -16.400 21.390 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -15.230 -17.775 21.071 1.00 0.00 H new TER 1234 GLY A 83 HETATM 1235 ZN ZN A 201 -1.796 -9.778 2.253 1.00 0.00 ZN HETATM 1236 ZN ZN A 401 0.305 3.612 6.947 1.00 0.00 ZN