USER MOD reduce.3.24.130724 H: found=0, std=0, add=826, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 824 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 83 HIS : no HD1:sc= 0.901 K(o=2.2,f=-7.3!) USER MOD Set 1.2: A 85 TYR OH : rot -47:sc= 1.26 USER MOD Set 2.1: A 77 THR OG1 : rot -21:sc= 1.21 USER MOD Set 2.2: A 81 THR OG1 : rot 27:sc= 2.82 USER MOD Set 3.1: A 24 HIS : no HD1:sc= 0.238 K(o=0.87,f=-1.6!) USER MOD Set 3.2: A 56 LYS NZ :NH3+ -162:sc= 0.629 (180deg=0.896) USER MOD Set 4.1: A 53 TYR OH : rot 180:sc= 0.652 USER MOD Set 4.2: A 103 LYS NZ :NH3+ -164:sc= 0.73 (180deg=-0.0859) USER MOD Set 5.1: A 50 SER OG : rot 68:sc= 0.49 USER MOD Set 5.2: A 61 LYS NZ :NH3+ 174:sc= 0.688 (180deg=0.674) USER MOD Set 6.1: A 34 THR OG1 : rot 73:sc= 1.86 USER MOD Set 6.2: A 40 LYS NZ :NH3+ -174:sc= 0.704 (180deg=-0.0328) USER MOD Set 7.1: A 3 SER OG : rot -101:sc= 1.2 USER MOD Set 7.2: A 16 GLN : amide:sc= 0.805 K(o=2,f=1.5) USER MOD Single : A 9 SER OG : rot 180:sc= 0.0865 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.01) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ -130:sc= 1.06 (180deg=0.455) USER MOD Single : A 32 THR OG1 : rot 160:sc= 1.04 USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 89:sc= 0.978 USER MOD Single : A 51 ASN : amide:sc= 0.67 K(o=0.67,f=0) USER MOD Single : A 79 MET CE :methyl -134:sc= 0 (180deg=-0.00105) USER MOD Single : A 86 LYS NZ :NH3+ 167:sc= -0.108 (180deg=-0.426) USER MOD Single : A 90 LYS NZ :NH3+ 161:sc= 0.978 (180deg=0.639) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= 0.14 K(o=0.14,f=-2.2!) USER MOD Single : A 101 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0375) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 HIS : no HD1:sc= -1.4! C(o=-1.4!,f=-5.7!) USER MOD ----------------------------------------------------------------- ATOM 17 N SER A 3 0.078 -8.606 4.692 1.00 0.00 N ATOM 18 CA SER A 3 0.755 -7.362 4.399 1.00 0.00 C ATOM 19 C SER A 3 -0.188 -6.211 4.024 1.00 0.00 C ATOM 20 O SER A 3 -0.711 -6.172 2.910 1.00 0.00 O ATOM 21 CB SER A 3 1.711 -7.673 3.244 1.00 0.00 C ATOM 22 OG SER A 3 2.255 -8.976 3.411 1.00 0.00 O ATOM 0 HA SER A 3 1.270 -7.010 5.293 1.00 0.00 H new ATOM 0 HB2 SER A 3 1.182 -7.608 2.293 1.00 0.00 H new ATOM 0 HB3 SER A 3 2.512 -6.935 3.213 1.00 0.00 H new ATOM 0 HG SER A 3 3.161 -8.908 3.777 1.00 0.00 H new ATOM 28 N VAL A 4 -0.370 -5.267 4.950 1.00 0.00 N ATOM 29 CA VAL A 4 -1.120 -4.034 4.798 1.00 0.00 C ATOM 30 C VAL A 4 -0.316 -2.899 5.453 1.00 0.00 C ATOM 31 O VAL A 4 -0.873 -1.936 5.975 1.00 0.00 O ATOM 32 CB VAL A 4 -2.485 -4.224 5.472 1.00 0.00 C ATOM 33 CG1 VAL A 4 -3.351 -5.268 4.756 1.00 0.00 C ATOM 34 CG2 VAL A 4 -2.400 -4.599 6.951 1.00 0.00 C ATOM 0 H VAL A 4 0.031 -5.356 5.883 1.00 0.00 H new ATOM 0 HA VAL A 4 -1.282 -3.780 3.750 1.00 0.00 H new ATOM 0 HB VAL A 4 -2.951 -3.242 5.396 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -4.306 -5.365 5.273 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -3.525 -4.953 3.727 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -2.838 -6.230 4.759 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -3.406 -4.715 7.355 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -1.855 -5.537 7.058 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -1.879 -3.812 7.496 1.00 0.00 H new ATOM 44 N ILE A 5 1.011 -3.039 5.456 1.00 0.00 N ATOM 45 CA ILE A 5 1.924 -2.186 6.206 1.00 0.00 C ATOM 46 C ILE A 5 2.310 -0.876 5.505 1.00 0.00 C ATOM 47 O ILE A 5 2.023 -0.643 4.328 1.00 0.00 O ATOM 48 CB ILE A 5 3.169 -3.015 6.597 1.00 0.00 C ATOM 49 CG1 ILE A 5 3.873 -3.752 5.439 1.00 0.00 C ATOM 50 CG2 ILE A 5 2.759 -4.073 7.632 1.00 0.00 C ATOM 51 CD1 ILE A 5 4.314 -2.858 4.277 1.00 0.00 C ATOM 0 H ILE A 5 1.488 -3.767 4.923 1.00 0.00 H new ATOM 0 HA ILE A 5 1.391 -1.854 7.097 1.00 0.00 H new ATOM 0 HB ILE A 5 3.882 -2.285 6.979 1.00 0.00 H new ATOM 0 HG12 ILE A 5 4.749 -4.266 5.835 1.00 0.00 H new ATOM 0 HG13 ILE A 5 3.200 -4.518 5.053 1.00 0.00 H new ATOM 0 HG21 ILE A 5 3.631 -4.663 7.914 1.00 0.00 H new ATOM 0 HG22 ILE A 5 2.353 -3.580 8.515 1.00 0.00 H new ATOM 0 HG23 ILE A 5 2.001 -4.728 7.202 1.00 0.00 H new ATOM 0 HD11 ILE A 5 4.798 -3.467 3.513 1.00 0.00 H new ATOM 0 HD12 ILE A 5 3.443 -2.363 3.848 1.00 0.00 H new ATOM 0 HD13 ILE A 5 5.015 -2.107 4.641 1.00 0.00 H new ATOM 63 N VAL A 6 2.991 -0.021 6.281 1.00 0.00 N ATOM 64 CA VAL A 6 3.510 1.277 5.883 1.00 0.00 C ATOM 65 C VAL A 6 5.023 1.374 6.126 1.00 0.00 C ATOM 66 O VAL A 6 5.611 2.451 6.064 1.00 0.00 O ATOM 67 CB VAL A 6 2.688 2.360 6.611 1.00 0.00 C ATOM 68 CG1 VAL A 6 2.857 2.314 8.135 1.00 0.00 C ATOM 69 CG2 VAL A 6 2.985 3.777 6.107 1.00 0.00 C ATOM 0 H VAL A 6 3.201 -0.237 7.255 1.00 0.00 H new ATOM 0 HA VAL A 6 3.397 1.429 4.810 1.00 0.00 H new ATOM 0 HB VAL A 6 1.651 2.122 6.372 1.00 0.00 H new ATOM 0 HG11 VAL A 6 2.255 3.099 8.592 1.00 0.00 H new ATOM 0 HG12 VAL A 6 2.531 1.343 8.508 1.00 0.00 H new ATOM 0 HG13 VAL A 6 3.906 2.467 8.390 1.00 0.00 H new ATOM 0 HG21 VAL A 6 2.376 4.494 6.658 1.00 0.00 H new ATOM 0 HG22 VAL A 6 4.040 4.004 6.260 1.00 0.00 H new ATOM 0 HG23 VAL A 6 2.750 3.842 5.045 1.00 0.00 H new ATOM 79 N ILE A 7 5.682 0.238 6.374 1.00 0.00 N ATOM 80 CA ILE A 7 7.136 0.196 6.508 1.00 0.00 C ATOM 81 C ILE A 7 7.680 0.196 5.078 1.00 0.00 C ATOM 82 O ILE A 7 8.128 -0.808 4.533 1.00 0.00 O ATOM 83 CB ILE A 7 7.610 -0.972 7.399 1.00 0.00 C ATOM 84 CG1 ILE A 7 9.138 -0.841 7.581 1.00 0.00 C ATOM 85 CG2 ILE A 7 7.207 -2.362 6.879 1.00 0.00 C ATOM 86 CD1 ILE A 7 9.726 -1.973 8.428 1.00 0.00 C ATOM 0 H ILE A 7 5.226 -0.668 6.486 1.00 0.00 H new ATOM 0 HA ILE A 7 7.531 1.060 7.041 1.00 0.00 H new ATOM 0 HB ILE A 7 7.103 -0.897 8.361 1.00 0.00 H new ATOM 0 HG12 ILE A 7 9.618 -0.836 6.603 1.00 0.00 H new ATOM 0 HG13 ILE A 7 9.364 0.116 8.052 1.00 0.00 H new ATOM 0 HG21 ILE A 7 7.578 -3.127 7.561 1.00 0.00 H new ATOM 0 HG22 ILE A 7 6.121 -2.426 6.817 1.00 0.00 H new ATOM 0 HG23 ILE A 7 7.637 -2.519 5.890 1.00 0.00 H new ATOM 0 HD11 ILE A 7 10.803 -1.833 8.525 1.00 0.00 H new ATOM 0 HD12 ILE A 7 9.268 -1.963 9.417 1.00 0.00 H new ATOM 0 HD13 ILE A 7 9.526 -2.930 7.946 1.00 0.00 H new ATOM 98 N ASP A 8 7.595 1.366 4.456 1.00 0.00 N ATOM 99 CA ASP A 8 7.942 1.563 3.064 1.00 0.00 C ATOM 100 C ASP A 8 9.427 1.404 2.772 1.00 0.00 C ATOM 101 O ASP A 8 9.787 1.240 1.608 1.00 0.00 O ATOM 102 CB ASP A 8 7.432 2.932 2.618 1.00 0.00 C ATOM 103 CG ASP A 8 8.251 4.141 3.048 1.00 0.00 C ATOM 104 OD1 ASP A 8 8.937 4.058 4.089 1.00 0.00 O ATOM 105 OD2 ASP A 8 8.145 5.149 2.314 1.00 0.00 O ATOM 0 H ASP A 8 7.276 2.217 4.919 1.00 0.00 H new ATOM 0 HA ASP A 8 7.458 0.774 2.489 1.00 0.00 H new ATOM 0 HB2 ASP A 8 7.369 2.933 1.530 1.00 0.00 H new ATOM 0 HB3 ASP A 8 6.417 3.057 2.996 1.00 0.00 H new ATOM 110 N SER A 9 10.277 1.472 3.804 1.00 0.00 N ATOM 111 CA SER A 9 11.719 1.352 3.714 1.00 0.00 C ATOM 112 C SER A 9 12.107 0.298 2.679 1.00 0.00 C ATOM 113 O SER A 9 11.791 -0.867 2.875 1.00 0.00 O ATOM 114 CB SER A 9 12.251 0.984 5.097 1.00 0.00 C ATOM 115 OG SER A 9 11.581 1.761 6.075 1.00 0.00 O ATOM 0 H SER A 9 9.955 1.619 4.761 1.00 0.00 H new ATOM 0 HA SER A 9 12.156 2.297 3.391 1.00 0.00 H new ATOM 0 HB2 SER A 9 12.095 -0.078 5.289 1.00 0.00 H new ATOM 0 HB3 SER A 9 13.325 1.163 5.146 1.00 0.00 H new ATOM 0 HG SER A 9 11.918 1.527 6.965 1.00 0.00 H new ATOM 121 N LYS A 10 12.809 0.689 1.613 1.00 0.00 N ATOM 122 CA LYS A 10 13.149 -0.161 0.472 1.00 0.00 C ATOM 123 C LYS A 10 13.531 -1.602 0.838 1.00 0.00 C ATOM 124 O LYS A 10 13.080 -2.558 0.208 1.00 0.00 O ATOM 125 CB LYS A 10 14.245 0.524 -0.331 1.00 0.00 C ATOM 126 CG LYS A 10 15.518 0.904 0.442 1.00 0.00 C ATOM 127 CD LYS A 10 16.436 1.805 -0.397 1.00 0.00 C ATOM 128 CE LYS A 10 16.911 1.119 -1.685 1.00 0.00 C ATOM 129 NZ LYS A 10 17.919 1.933 -2.386 1.00 0.00 N ATOM 0 H LYS A 10 13.168 1.639 1.518 1.00 0.00 H new ATOM 0 HA LYS A 10 12.247 -0.274 -0.129 1.00 0.00 H new ATOM 0 HB2 LYS A 10 14.527 -0.132 -1.154 1.00 0.00 H new ATOM 0 HB3 LYS A 10 13.830 1.430 -0.773 1.00 0.00 H new ATOM 0 HG2 LYS A 10 15.246 1.418 1.364 1.00 0.00 H new ATOM 0 HG3 LYS A 10 16.055 -0.000 0.728 1.00 0.00 H new ATOM 0 HD2 LYS A 10 15.906 2.723 -0.652 1.00 0.00 H new ATOM 0 HD3 LYS A 10 17.302 2.092 0.199 1.00 0.00 H new ATOM 0 HE2 LYS A 10 17.332 0.143 -1.445 1.00 0.00 H new ATOM 0 HE3 LYS A 10 16.059 0.946 -2.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 18.220 1.442 -3.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 17.508 2.855 -2.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 18.741 2.077 -1.766 1.00 0.00 H new ATOM 143 N ALA A 11 14.349 -1.764 1.872 1.00 0.00 N ATOM 144 CA ALA A 11 14.735 -3.092 2.342 1.00 0.00 C ATOM 145 C ALA A 11 13.489 -3.900 2.743 1.00 0.00 C ATOM 146 O ALA A 11 13.287 -5.033 2.301 1.00 0.00 O ATOM 147 CB ALA A 11 15.699 -2.951 3.524 1.00 0.00 C ATOM 0 H ALA A 11 14.758 -0.994 2.401 1.00 0.00 H new ATOM 0 HA ALA A 11 15.238 -3.630 1.539 1.00 0.00 H new ATOM 0 HB1 ALA A 11 15.989 -3.941 3.877 1.00 0.00 H new ATOM 0 HB2 ALA A 11 16.587 -2.405 3.206 1.00 0.00 H new ATOM 0 HB3 ALA A 11 15.208 -2.407 4.331 1.00 0.00 H new ATOM 153 N ALA A 12 12.644 -3.295 3.581 1.00 0.00 N ATOM 154 CA ALA A 12 11.404 -3.882 4.055 1.00 0.00 C ATOM 155 C ALA A 12 10.447 -4.080 2.882 1.00 0.00 C ATOM 156 O ALA A 12 9.815 -5.122 2.792 1.00 0.00 O ATOM 157 CB ALA A 12 10.776 -2.989 5.125 1.00 0.00 C ATOM 0 H ALA A 12 12.814 -2.361 3.954 1.00 0.00 H new ATOM 0 HA ALA A 12 11.612 -4.854 4.502 1.00 0.00 H new ATOM 0 HB1 ALA A 12 9.846 -3.438 5.474 1.00 0.00 H new ATOM 0 HB2 ALA A 12 11.466 -2.885 5.963 1.00 0.00 H new ATOM 0 HB3 ALA A 12 10.568 -2.006 4.702 1.00 0.00 H new ATOM 163 N TRP A 13 10.340 -3.089 1.992 1.00 0.00 N ATOM 164 CA TRP A 13 9.553 -3.141 0.762 1.00 0.00 C ATOM 165 C TRP A 13 9.877 -4.452 0.032 1.00 0.00 C ATOM 166 O TRP A 13 9.006 -5.307 -0.130 1.00 0.00 O ATOM 167 CB TRP A 13 9.888 -1.894 -0.084 1.00 0.00 C ATOM 168 CG TRP A 13 9.870 -1.996 -1.584 1.00 0.00 C ATOM 169 CD1 TRP A 13 10.947 -2.286 -2.349 1.00 0.00 C ATOM 170 CD2 TRP A 13 8.790 -1.735 -2.528 1.00 0.00 C ATOM 171 NE1 TRP A 13 10.604 -2.306 -3.678 1.00 0.00 N ATOM 172 CE2 TRP A 13 9.288 -1.945 -3.850 1.00 0.00 C ATOM 173 CE3 TRP A 13 7.445 -1.324 -2.412 1.00 0.00 C ATOM 174 CZ2 TRP A 13 8.496 -1.769 -4.990 1.00 0.00 C ATOM 175 CZ3 TRP A 13 6.645 -1.128 -3.553 1.00 0.00 C ATOM 176 CH2 TRP A 13 7.170 -1.342 -4.840 1.00 0.00 C ATOM 0 H TRP A 13 10.818 -2.196 2.115 1.00 0.00 H new ATOM 0 HA TRP A 13 8.482 -3.129 0.963 1.00 0.00 H new ATOM 0 HB2 TRP A 13 9.188 -1.108 0.199 1.00 0.00 H new ATOM 0 HB3 TRP A 13 10.882 -1.556 0.210 1.00 0.00 H new ATOM 0 HD1 TRP A 13 11.939 -2.476 -1.967 1.00 0.00 H new ATOM 0 HE1 TRP A 13 11.240 -2.555 -4.436 1.00 0.00 H new ATOM 0 HE3 TRP A 13 7.023 -1.157 -1.432 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 8.901 -1.960 -5.973 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 5.619 -0.810 -3.439 1.00 0.00 H new ATOM 0 HH2 TRP A 13 6.553 -1.178 -5.711 1.00 0.00 H new ATOM 187 N ASP A 14 11.145 -4.633 -0.358 1.00 0.00 N ATOM 188 CA ASP A 14 11.583 -5.816 -1.093 1.00 0.00 C ATOM 189 C ASP A 14 11.228 -7.082 -0.318 1.00 0.00 C ATOM 190 O ASP A 14 10.629 -8.011 -0.863 1.00 0.00 O ATOM 191 CB ASP A 14 13.097 -5.760 -1.357 1.00 0.00 C ATOM 192 CG ASP A 14 13.493 -4.710 -2.391 1.00 0.00 C ATOM 193 OD1 ASP A 14 12.808 -4.641 -3.436 1.00 0.00 O ATOM 194 OD2 ASP A 14 14.486 -3.997 -2.128 1.00 0.00 O ATOM 0 H ASP A 14 11.891 -3.963 -0.171 1.00 0.00 H new ATOM 0 HA ASP A 14 11.066 -5.836 -2.053 1.00 0.00 H new ATOM 0 HB2 ASP A 14 13.614 -5.550 -0.421 1.00 0.00 H new ATOM 0 HB3 ASP A 14 13.436 -6.739 -1.696 1.00 0.00 H new ATOM 199 N ALA A 15 11.596 -7.103 0.964 1.00 0.00 N ATOM 200 CA ALA A 15 11.329 -8.241 1.830 1.00 0.00 C ATOM 201 C ALA A 15 9.839 -8.585 1.857 1.00 0.00 C ATOM 202 O ALA A 15 9.480 -9.756 1.768 1.00 0.00 O ATOM 203 CB ALA A 15 11.846 -7.948 3.241 1.00 0.00 C ATOM 0 H ALA A 15 12.084 -6.335 1.424 1.00 0.00 H new ATOM 0 HA ALA A 15 11.854 -9.109 1.431 1.00 0.00 H new ATOM 0 HB1 ALA A 15 11.644 -8.802 3.887 1.00 0.00 H new ATOM 0 HB2 ALA A 15 12.920 -7.766 3.204 1.00 0.00 H new ATOM 0 HB3 ALA A 15 11.342 -7.067 3.637 1.00 0.00 H new ATOM 209 N GLN A 16 8.978 -7.571 1.970 1.00 0.00 N ATOM 210 CA GLN A 16 7.538 -7.727 2.057 1.00 0.00 C ATOM 211 C GLN A 16 7.018 -8.346 0.766 1.00 0.00 C ATOM 212 O GLN A 16 6.233 -9.290 0.814 1.00 0.00 O ATOM 213 CB GLN A 16 6.871 -6.371 2.335 1.00 0.00 C ATOM 214 CG GLN A 16 5.429 -6.543 2.830 1.00 0.00 C ATOM 215 CD GLN A 16 5.352 -7.178 4.219 1.00 0.00 C ATOM 216 OE1 GLN A 16 4.670 -8.178 4.415 1.00 0.00 O ATOM 217 NE2 GLN A 16 6.040 -6.610 5.204 1.00 0.00 N ATOM 0 H GLN A 16 9.278 -6.597 2.004 1.00 0.00 H new ATOM 0 HA GLN A 16 7.291 -8.392 2.885 1.00 0.00 H new ATOM 0 HB2 GLN A 16 7.450 -5.826 3.081 1.00 0.00 H new ATOM 0 HB3 GLN A 16 6.875 -5.769 1.426 1.00 0.00 H new ATOM 0 HG2 GLN A 16 4.939 -5.570 2.853 1.00 0.00 H new ATOM 0 HG3 GLN A 16 4.878 -7.161 2.122 1.00 0.00 H new ATOM 0 HE21 GLN A 16 6.601 -5.778 5.020 1.00 0.00 H new ATOM 0 HE22 GLN A 16 6.007 -7.006 6.144 1.00 0.00 H new ATOM 226 N LEU A 17 7.450 -7.823 -0.388 1.00 0.00 N ATOM 227 CA LEU A 17 7.048 -8.393 -1.659 1.00 0.00 C ATOM 228 C LEU A 17 7.444 -9.868 -1.692 1.00 0.00 C ATOM 229 O LEU A 17 6.584 -10.733 -1.853 1.00 0.00 O ATOM 230 CB LEU A 17 7.685 -7.610 -2.815 1.00 0.00 C ATOM 231 CG LEU A 17 7.248 -6.139 -2.915 1.00 0.00 C ATOM 232 CD1 LEU A 17 7.801 -5.530 -4.208 1.00 0.00 C ATOM 233 CD2 LEU A 17 5.727 -5.979 -2.883 1.00 0.00 C ATOM 0 H LEU A 17 8.070 -7.016 -0.458 1.00 0.00 H new ATOM 0 HA LEU A 17 5.966 -8.322 -1.775 1.00 0.00 H new ATOM 0 HB2 LEU A 17 8.769 -7.646 -2.706 1.00 0.00 H new ATOM 0 HB3 LEU A 17 7.442 -8.111 -3.752 1.00 0.00 H new ATOM 0 HG LEU A 17 7.649 -5.618 -2.046 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.492 -4.487 -4.280 1.00 0.00 H new ATOM 0 HD12 LEU A 17 8.890 -5.586 -4.200 1.00 0.00 H new ATOM 0 HD13 LEU A 17 7.415 -6.083 -5.065 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.471 -4.922 -2.956 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.287 -6.518 -3.722 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.338 -6.382 -1.948 1.00 0.00 H new ATOM 245 N ALA A 18 8.728 -10.156 -1.468 1.00 0.00 N ATOM 246 CA ALA A 18 9.253 -11.513 -1.500 1.00 0.00 C ATOM 247 C ALA A 18 8.456 -12.461 -0.594 1.00 0.00 C ATOM 248 O ALA A 18 7.888 -13.446 -1.070 1.00 0.00 O ATOM 249 CB ALA A 18 10.729 -11.479 -1.101 1.00 0.00 C ATOM 0 H ALA A 18 9.432 -9.448 -1.259 1.00 0.00 H new ATOM 0 HA ALA A 18 9.154 -11.904 -2.513 1.00 0.00 H new ATOM 0 HB1 ALA A 18 11.135 -12.490 -1.121 1.00 0.00 H new ATOM 0 HB2 ALA A 18 11.281 -10.853 -1.802 1.00 0.00 H new ATOM 0 HB3 ALA A 18 10.825 -11.070 -0.095 1.00 0.00 H new ATOM 255 N LYS A 19 8.378 -12.167 0.710 1.00 0.00 N ATOM 256 CA LYS A 19 7.677 -13.031 1.651 1.00 0.00 C ATOM 257 C LYS A 19 6.172 -13.068 1.364 1.00 0.00 C ATOM 258 O LYS A 19 5.473 -13.934 1.885 1.00 0.00 O ATOM 259 CB LYS A 19 7.985 -12.581 3.086 1.00 0.00 C ATOM 260 CG LYS A 19 7.287 -11.270 3.455 1.00 0.00 C ATOM 261 CD LYS A 19 7.890 -10.608 4.704 1.00 0.00 C ATOM 262 CE LYS A 19 7.935 -11.528 5.930 1.00 0.00 C ATOM 263 NZ LYS A 19 6.598 -12.025 6.295 1.00 0.00 N ATOM 0 H LYS A 19 8.794 -11.336 1.131 1.00 0.00 H new ATOM 0 HA LYS A 19 8.033 -14.054 1.530 1.00 0.00 H new ATOM 0 HB2 LYS A 19 7.676 -13.361 3.782 1.00 0.00 H new ATOM 0 HB3 LYS A 19 9.062 -12.460 3.201 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.353 -10.579 2.615 1.00 0.00 H new ATOM 0 HG3 LYS A 19 6.228 -11.463 3.626 1.00 0.00 H new ATOM 0 HD2 LYS A 19 8.902 -10.274 4.474 1.00 0.00 H new ATOM 0 HD3 LYS A 19 7.309 -9.719 4.949 1.00 0.00 H new ATOM 0 HE2 LYS A 19 8.593 -12.373 5.726 1.00 0.00 H new ATOM 0 HE3 LYS A 19 8.364 -10.987 6.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 6.666 -12.602 7.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 5.963 -11.219 6.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 6.220 -12.606 5.519 1.00 0.00 H new ATOM 277 N GLY A 20 5.666 -12.140 0.546 1.00 0.00 N ATOM 278 CA GLY A 20 4.275 -12.091 0.160 1.00 0.00 C ATOM 279 C GLY A 20 3.873 -13.303 -0.680 1.00 0.00 C ATOM 280 O GLY A 20 2.688 -13.630 -0.705 1.00 0.00 O ATOM 0 H GLY A 20 6.229 -11.396 0.134 1.00 0.00 H new ATOM 0 HA2 GLY A 20 3.652 -12.046 1.053 1.00 0.00 H new ATOM 0 HA3 GLY A 20 4.087 -11.179 -0.406 1.00 0.00 H new ATOM 284 N LYS A 21 4.835 -13.951 -1.359 1.00 0.00 N ATOM 285 CA LYS A 21 4.607 -15.113 -2.217 1.00 0.00 C ATOM 286 C LYS A 21 3.596 -14.748 -3.305 1.00 0.00 C ATOM 287 O LYS A 21 2.442 -15.172 -3.285 1.00 0.00 O ATOM 288 CB LYS A 21 4.166 -16.333 -1.391 1.00 0.00 C ATOM 289 CG LYS A 21 5.261 -16.737 -0.397 1.00 0.00 C ATOM 290 CD LYS A 21 4.824 -17.962 0.413 1.00 0.00 C ATOM 291 CE LYS A 21 5.907 -18.338 1.428 1.00 0.00 C ATOM 292 NZ LYS A 21 5.511 -19.512 2.226 1.00 0.00 N ATOM 0 H LYS A 21 5.815 -13.670 -1.321 1.00 0.00 H new ATOM 0 HA LYS A 21 5.541 -15.396 -2.703 1.00 0.00 H new ATOM 0 HB2 LYS A 21 3.247 -16.102 -0.853 1.00 0.00 H new ATOM 0 HB3 LYS A 21 3.945 -17.168 -2.056 1.00 0.00 H new ATOM 0 HG2 LYS A 21 6.184 -16.958 -0.933 1.00 0.00 H new ATOM 0 HG3 LYS A 21 5.475 -15.906 0.275 1.00 0.00 H new ATOM 0 HD2 LYS A 21 3.888 -17.750 0.930 1.00 0.00 H new ATOM 0 HD3 LYS A 21 4.635 -18.801 -0.256 1.00 0.00 H new ATOM 0 HE2 LYS A 21 6.840 -18.549 0.906 1.00 0.00 H new ATOM 0 HE3 LYS A 21 6.097 -17.493 2.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 6.265 -19.741 2.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 4.634 -19.301 2.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 5.354 -20.324 1.595 1.00 0.00 H new ATOM 306 N GLU A 22 4.058 -13.948 -4.266 1.00 0.00 N ATOM 307 CA GLU A 22 3.311 -13.358 -5.366 1.00 0.00 C ATOM 308 C GLU A 22 2.874 -14.384 -6.426 1.00 0.00 C ATOM 309 O GLU A 22 3.108 -14.182 -7.615 1.00 0.00 O ATOM 310 CB GLU A 22 4.181 -12.262 -6.007 1.00 0.00 C ATOM 311 CG GLU A 22 4.814 -11.269 -5.014 1.00 0.00 C ATOM 312 CD GLU A 22 6.275 -11.588 -4.689 1.00 0.00 C ATOM 313 OE1 GLU A 22 6.531 -12.741 -4.278 1.00 0.00 O ATOM 314 OE2 GLU A 22 7.110 -10.674 -4.861 1.00 0.00 O ATOM 0 H GLU A 22 5.041 -13.678 -4.293 1.00 0.00 H new ATOM 0 HA GLU A 22 2.389 -12.940 -4.961 1.00 0.00 H new ATOM 0 HB2 GLU A 22 4.978 -12.739 -6.578 1.00 0.00 H new ATOM 0 HB3 GLU A 22 3.571 -11.704 -6.717 1.00 0.00 H new ATOM 0 HG2 GLU A 22 4.752 -10.263 -5.428 1.00 0.00 H new ATOM 0 HG3 GLU A 22 4.235 -11.270 -4.091 1.00 0.00 H new ATOM 321 N GLU A 23 2.217 -15.473 -6.019 1.00 0.00 N ATOM 322 CA GLU A 23 1.749 -16.503 -6.945 1.00 0.00 C ATOM 323 C GLU A 23 0.651 -15.913 -7.842 1.00 0.00 C ATOM 324 O GLU A 23 0.774 -15.883 -9.064 1.00 0.00 O ATOM 325 CB GLU A 23 1.256 -17.741 -6.172 1.00 0.00 C ATOM 326 CG GLU A 23 2.202 -18.196 -5.046 1.00 0.00 C ATOM 327 CD GLU A 23 3.668 -18.226 -5.466 1.00 0.00 C ATOM 328 OE1 GLU A 23 3.988 -19.049 -6.349 1.00 0.00 O ATOM 329 OE2 GLU A 23 4.440 -17.421 -4.898 1.00 0.00 O ATOM 0 H GLU A 23 1.996 -15.664 -5.042 1.00 0.00 H new ATOM 0 HA GLU A 23 2.572 -16.831 -7.580 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.277 -17.523 -5.744 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.121 -18.564 -6.874 1.00 0.00 H new ATOM 0 HG2 GLU A 23 2.089 -17.527 -4.193 1.00 0.00 H new ATOM 0 HG3 GLU A 23 1.906 -19.191 -4.712 1.00 0.00 H new ATOM 336 N HIS A 24 -0.431 -15.449 -7.213 1.00 0.00 N ATOM 337 CA HIS A 24 -1.533 -14.730 -7.836 1.00 0.00 C ATOM 338 C HIS A 24 -2.173 -13.917 -6.724 1.00 0.00 C ATOM 339 O HIS A 24 -2.996 -14.425 -5.965 1.00 0.00 O ATOM 340 CB HIS A 24 -2.579 -15.643 -8.497 1.00 0.00 C ATOM 341 CG HIS A 24 -3.856 -14.894 -8.837 1.00 0.00 C ATOM 342 ND1 HIS A 24 -5.109 -15.499 -8.730 1.00 0.00 N ATOM 343 CD2 HIS A 24 -4.042 -13.572 -9.162 1.00 0.00 C ATOM 344 CE1 HIS A 24 -5.990 -14.520 -8.965 1.00 0.00 C ATOM 345 NE2 HIS A 24 -5.402 -13.333 -9.180 1.00 0.00 N ATOM 0 H HIS A 24 -0.564 -15.573 -6.209 1.00 0.00 H new ATOM 0 HA HIS A 24 -1.149 -14.115 -8.650 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -2.160 -16.076 -9.405 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -2.812 -16.471 -7.828 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -3.265 -12.850 -9.366 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -7.060 -14.669 -8.980 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -5.865 -12.436 -9.327 1.00 0.00 H new ATOM 353 N LYS A 25 -1.767 -12.657 -6.611 1.00 0.00 N ATOM 354 CA LYS A 25 -2.282 -11.743 -5.617 1.00 0.00 C ATOM 355 C LYS A 25 -1.812 -10.349 -6.015 1.00 0.00 C ATOM 356 O LYS A 25 -0.684 -10.214 -6.485 1.00 0.00 O ATOM 357 CB LYS A 25 -1.784 -12.129 -4.221 1.00 0.00 C ATOM 358 CG LYS A 25 -0.275 -12.409 -4.159 1.00 0.00 C ATOM 359 CD LYS A 25 0.150 -12.930 -2.783 1.00 0.00 C ATOM 360 CE LYS A 25 -0.467 -14.303 -2.476 1.00 0.00 C ATOM 361 NZ LYS A 25 0.255 -14.981 -1.387 1.00 0.00 N ATOM 0 H LYS A 25 -1.061 -12.243 -7.219 1.00 0.00 H new ATOM 0 HA LYS A 25 -3.371 -11.776 -5.576 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -2.024 -11.326 -3.524 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -2.323 -13.015 -3.885 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -0.009 -13.140 -4.923 1.00 0.00 H new ATOM 0 HG3 LYS A 25 0.274 -11.495 -4.387 1.00 0.00 H new ATOM 0 HD2 LYS A 25 1.237 -13.003 -2.742 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -0.151 -12.217 -2.016 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -1.514 -14.180 -2.200 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -0.444 -14.923 -3.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 0.492 -15.951 -1.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 1.129 -14.460 -1.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -0.346 -15.012 -0.539 1.00 0.00 H new ATOM 375 N PRO A 26 -2.660 -9.323 -5.894 1.00 0.00 N ATOM 376 CA PRO A 26 -2.284 -7.978 -6.260 1.00 0.00 C ATOM 377 C PRO A 26 -1.390 -7.338 -5.200 1.00 0.00 C ATOM 378 O PRO A 26 -1.735 -7.284 -4.016 1.00 0.00 O ATOM 379 CB PRO A 26 -3.600 -7.222 -6.429 1.00 0.00 C ATOM 380 CG PRO A 26 -4.552 -7.950 -5.484 1.00 0.00 C ATOM 381 CD PRO A 26 -4.073 -9.399 -5.571 1.00 0.00 C ATOM 0 HA PRO A 26 -1.696 -7.959 -7.177 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -3.496 -6.170 -6.162 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -3.953 -7.256 -7.460 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -4.487 -7.563 -4.467 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -5.591 -7.848 -5.798 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -4.232 -9.922 -4.628 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -4.621 -9.948 -6.336 1.00 0.00 H new ATOM 389 N ILE A 27 -0.233 -6.852 -5.651 1.00 0.00 N ATOM 390 CA ILE A 27 0.681 -6.050 -4.871 1.00 0.00 C ATOM 391 C ILE A 27 0.172 -4.637 -5.131 1.00 0.00 C ATOM 392 O ILE A 27 0.482 -4.052 -6.171 1.00 0.00 O ATOM 393 CB ILE A 27 2.141 -6.263 -5.324 1.00 0.00 C ATOM 394 CG1 ILE A 27 2.736 -7.598 -4.835 1.00 0.00 C ATOM 395 CG2 ILE A 27 3.054 -5.146 -4.793 1.00 0.00 C ATOM 396 CD1 ILE A 27 1.898 -8.831 -5.176 1.00 0.00 C ATOM 0 H ILE A 27 0.095 -7.017 -6.603 1.00 0.00 H new ATOM 0 HA ILE A 27 0.703 -6.297 -3.810 1.00 0.00 H new ATOM 0 HB ILE A 27 2.102 -6.261 -6.413 1.00 0.00 H new ATOM 0 HG12 ILE A 27 3.729 -7.719 -5.268 1.00 0.00 H new ATOM 0 HG13 ILE A 27 2.864 -7.549 -3.754 1.00 0.00 H new ATOM 0 HG21 ILE A 27 4.076 -5.322 -5.128 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.709 -4.184 -5.171 1.00 0.00 H new ATOM 0 HG23 ILE A 27 3.025 -5.139 -3.703 1.00 0.00 H new ATOM 0 HD11 ILE A 27 2.392 -9.724 -4.794 1.00 0.00 H new ATOM 0 HD12 ILE A 27 0.912 -8.739 -4.720 1.00 0.00 H new ATOM 0 HD13 ILE A 27 1.791 -8.910 -6.258 1.00 0.00 H new ATOM 408 N VAL A 28 -0.680 -4.138 -4.236 1.00 0.00 N ATOM 409 CA VAL A 28 -1.313 -2.836 -4.358 1.00 0.00 C ATOM 410 C VAL A 28 -0.482 -1.844 -3.557 1.00 0.00 C ATOM 411 O VAL A 28 -0.476 -1.914 -2.330 1.00 0.00 O ATOM 412 CB VAL A 28 -2.754 -2.878 -3.818 1.00 0.00 C ATOM 413 CG1 VAL A 28 -3.486 -1.590 -4.209 1.00 0.00 C ATOM 414 CG2 VAL A 28 -3.547 -4.068 -4.358 1.00 0.00 C ATOM 0 H VAL A 28 -0.951 -4.641 -3.391 1.00 0.00 H new ATOM 0 HA VAL A 28 -1.363 -2.540 -5.406 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.686 -2.979 -2.735 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -4.506 -1.621 -3.826 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.965 -0.732 -3.784 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.509 -1.500 -5.295 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.556 -4.050 -3.946 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.598 -4.008 -5.445 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -3.053 -4.996 -4.069 1.00 0.00 H new ATOM 424 N VAL A 29 0.215 -0.919 -4.214 1.00 0.00 N ATOM 425 CA VAL A 29 0.996 0.063 -3.479 1.00 0.00 C ATOM 426 C VAL A 29 0.463 1.472 -3.734 1.00 0.00 C ATOM 427 O VAL A 29 0.244 1.878 -4.877 1.00 0.00 O ATOM 428 CB VAL A 29 2.503 -0.086 -3.728 1.00 0.00 C ATOM 429 CG1 VAL A 29 2.878 -0.268 -5.190 1.00 0.00 C ATOM 430 CG2 VAL A 29 3.239 1.120 -3.130 1.00 0.00 C ATOM 0 H VAL A 29 0.253 -0.832 -5.230 1.00 0.00 H new ATOM 0 HA VAL A 29 0.873 -0.128 -2.413 1.00 0.00 H new ATOM 0 HB VAL A 29 2.811 -1.007 -3.234 1.00 0.00 H new ATOM 0 HG11 VAL A 29 3.960 -0.366 -5.279 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.399 -1.167 -5.579 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.544 0.598 -5.762 1.00 0.00 H new ATOM 0 HG21 VAL A 29 4.310 1.016 -3.306 1.00 0.00 H new ATOM 0 HG22 VAL A 29 2.881 2.035 -3.601 1.00 0.00 H new ATOM 0 HG23 VAL A 29 3.050 1.166 -2.058 1.00 0.00 H new ATOM 440 N ASP A 30 0.253 2.182 -2.623 1.00 0.00 N ATOM 441 CA ASP A 30 -0.177 3.561 -2.515 1.00 0.00 C ATOM 442 C ASP A 30 1.082 4.414 -2.425 1.00 0.00 C ATOM 443 O ASP A 30 1.658 4.537 -1.341 1.00 0.00 O ATOM 444 CB ASP A 30 -1.022 3.701 -1.238 1.00 0.00 C ATOM 445 CG ASP A 30 -1.547 5.110 -0.970 1.00 0.00 C ATOM 446 OD1 ASP A 30 -1.076 6.053 -1.641 1.00 0.00 O ATOM 447 OD2 ASP A 30 -2.411 5.221 -0.072 1.00 0.00 O ATOM 0 H ASP A 30 0.394 1.763 -1.704 1.00 0.00 H new ATOM 0 HA ASP A 30 -0.778 3.876 -3.368 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.870 3.019 -1.303 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -0.422 3.383 -0.385 1.00 0.00 H new ATOM 452 N PHE A 31 1.541 4.957 -3.552 1.00 0.00 N ATOM 453 CA PHE A 31 2.694 5.836 -3.552 1.00 0.00 C ATOM 454 C PHE A 31 2.184 7.254 -3.327 1.00 0.00 C ATOM 455 O PHE A 31 1.688 7.883 -4.261 1.00 0.00 O ATOM 456 CB PHE A 31 3.452 5.735 -4.874 1.00 0.00 C ATOM 457 CG PHE A 31 4.227 4.450 -5.059 1.00 0.00 C ATOM 458 CD1 PHE A 31 5.478 4.308 -4.432 1.00 0.00 C ATOM 459 CD2 PHE A 31 3.785 3.473 -5.969 1.00 0.00 C ATOM 460 CE1 PHE A 31 6.276 3.184 -4.695 1.00 0.00 C ATOM 461 CE2 PHE A 31 4.600 2.362 -6.250 1.00 0.00 C ATOM 462 CZ PHE A 31 5.838 2.211 -5.609 1.00 0.00 C ATOM 0 H PHE A 31 1.128 4.800 -4.471 1.00 0.00 H new ATOM 0 HA PHE A 31 3.390 5.552 -2.763 1.00 0.00 H new ATOM 0 HB2 PHE A 31 2.741 5.836 -5.694 1.00 0.00 H new ATOM 0 HB3 PHE A 31 4.143 6.574 -4.946 1.00 0.00 H new ATOM 0 HD1 PHE A 31 5.826 5.066 -3.746 1.00 0.00 H new ATOM 0 HD2 PHE A 31 2.824 3.576 -6.450 1.00 0.00 H new ATOM 0 HE1 PHE A 31 7.226 3.067 -4.195 1.00 0.00 H new ATOM 0 HE2 PHE A 31 4.271 1.621 -6.963 1.00 0.00 H new ATOM 0 HZ PHE A 31 6.454 1.348 -5.817 1.00 0.00 H new ATOM 472 N THR A 32 2.298 7.741 -2.092 1.00 0.00 N ATOM 473 CA THR A 32 1.895 9.080 -1.702 1.00 0.00 C ATOM 474 C THR A 32 3.071 9.750 -0.997 1.00 0.00 C ATOM 475 O THR A 32 4.196 9.299 -1.172 1.00 0.00 O ATOM 476 CB THR A 32 0.602 9.000 -0.872 1.00 0.00 C ATOM 477 OG1 THR A 32 0.180 10.304 -0.541 1.00 0.00 O ATOM 478 CG2 THR A 32 0.772 8.179 0.412 1.00 0.00 C ATOM 0 H THR A 32 2.683 7.197 -1.320 1.00 0.00 H new ATOM 0 HA THR A 32 1.652 9.707 -2.560 1.00 0.00 H new ATOM 0 HB THR A 32 -0.146 8.494 -1.483 1.00 0.00 H new ATOM 0 HG1 THR A 32 -0.771 10.290 -0.307 1.00 0.00 H new ATOM 0 HG21 THR A 32 -0.172 8.157 0.957 1.00 0.00 H new ATOM 0 HG22 THR A 32 1.068 7.161 0.157 1.00 0.00 H new ATOM 0 HG23 THR A 32 1.541 8.635 1.036 1.00 0.00 H new ATOM 486 N ALA A 33 2.871 10.830 -0.238 1.00 0.00 N ATOM 487 CA ALA A 33 4.000 11.507 0.391 1.00 0.00 C ATOM 488 C ALA A 33 3.600 12.368 1.582 1.00 0.00 C ATOM 489 O ALA A 33 2.901 13.361 1.406 1.00 0.00 O ATOM 490 CB ALA A 33 4.692 12.398 -0.647 1.00 0.00 C ATOM 0 H ALA A 33 1.959 11.245 -0.049 1.00 0.00 H new ATOM 0 HA ALA A 33 4.667 10.729 0.763 1.00 0.00 H new ATOM 0 HB1 ALA A 33 5.537 12.907 -0.184 1.00 0.00 H new ATOM 0 HB2 ALA A 33 5.048 11.784 -1.474 1.00 0.00 H new ATOM 0 HB3 ALA A 33 3.984 13.137 -1.022 1.00 0.00 H new ATOM 496 N THR A 34 4.107 12.031 2.773 1.00 0.00 N ATOM 497 CA THR A 34 3.974 12.810 4.004 1.00 0.00 C ATOM 498 C THR A 34 4.037 14.310 3.697 1.00 0.00 C ATOM 499 O THR A 34 3.199 15.086 4.157 1.00 0.00 O ATOM 500 CB THR A 34 5.104 12.377 4.954 1.00 0.00 C ATOM 501 OG1 THR A 34 4.817 11.086 5.447 1.00 0.00 O ATOM 502 CG2 THR A 34 5.276 13.302 6.156 1.00 0.00 C ATOM 0 H THR A 34 4.642 11.173 2.909 1.00 0.00 H new ATOM 0 HA THR A 34 3.009 12.626 4.477 1.00 0.00 H new ATOM 0 HB THR A 34 6.026 12.407 4.374 1.00 0.00 H new ATOM 0 HG1 THR A 34 4.958 10.426 4.737 1.00 0.00 H new ATOM 0 HG21 THR A 34 6.090 12.937 6.783 1.00 0.00 H new ATOM 0 HG22 THR A 34 5.509 14.309 5.810 1.00 0.00 H new ATOM 0 HG23 THR A 34 4.353 13.322 6.735 1.00 0.00 H new ATOM 510 N TRP A 35 5.025 14.692 2.883 1.00 0.00 N ATOM 511 CA TRP A 35 5.251 16.047 2.417 1.00 0.00 C ATOM 512 C TRP A 35 3.963 16.800 2.065 1.00 0.00 C ATOM 513 O TRP A 35 3.789 17.939 2.493 1.00 0.00 O ATOM 514 CB TRP A 35 6.167 15.995 1.188 1.00 0.00 C ATOM 515 CG TRP A 35 7.235 17.031 1.207 1.00 0.00 C ATOM 516 CD1 TRP A 35 8.471 16.860 1.719 1.00 0.00 C ATOM 517 CD2 TRP A 35 7.148 18.424 0.802 1.00 0.00 C ATOM 518 NE1 TRP A 35 9.178 18.043 1.622 1.00 0.00 N ATOM 519 CE2 TRP A 35 8.401 19.047 1.073 1.00 0.00 C ATOM 520 CE3 TRP A 35 6.128 19.230 0.254 1.00 0.00 C ATOM 521 CZ2 TRP A 35 8.633 20.403 0.798 1.00 0.00 C ATOM 522 CZ3 TRP A 35 6.344 20.593 -0.008 1.00 0.00 C ATOM 523 CH2 TRP A 35 7.596 21.180 0.252 1.00 0.00 C ATOM 0 H TRP A 35 5.713 14.032 2.520 1.00 0.00 H new ATOM 0 HA TRP A 35 5.712 16.598 3.237 1.00 0.00 H new ATOM 0 HB2 TRP A 35 6.628 15.009 1.128 1.00 0.00 H new ATOM 0 HB3 TRP A 35 5.564 16.120 0.288 1.00 0.00 H new ATOM 0 HD1 TRP A 35 8.850 15.940 2.140 1.00 0.00 H new ATOM 0 HE1 TRP A 35 10.147 18.161 1.917 1.00 0.00 H new ATOM 0 HE3 TRP A 35 5.166 18.792 0.032 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 9.597 20.845 1.003 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 5.543 21.195 -0.412 1.00 0.00 H new ATOM 0 HH2 TRP A 35 7.760 22.225 0.033 1.00 0.00 H new ATOM 534 N CYS A 36 3.062 16.185 1.287 1.00 0.00 N ATOM 535 CA CYS A 36 1.829 16.833 0.846 1.00 0.00 C ATOM 536 C CYS A 36 0.636 16.455 1.736 1.00 0.00 C ATOM 537 O CYS A 36 -0.489 16.381 1.244 1.00 0.00 O ATOM 538 CB CYS A 36 1.576 16.580 -0.654 1.00 0.00 C ATOM 539 SG CYS A 36 1.702 14.907 -1.341 1.00 0.00 S ATOM 0 H CYS A 36 3.171 15.229 0.949 1.00 0.00 H new ATOM 0 HA CYS A 36 1.951 17.910 0.961 1.00 0.00 H new ATOM 0 HB2 CYS A 36 0.573 16.944 -0.877 1.00 0.00 H new ATOM 0 HB3 CYS A 36 2.273 17.208 -1.208 1.00 0.00 H new ATOM 544 N GLY A 37 0.878 16.281 3.045 1.00 0.00 N ATOM 545 CA GLY A 37 -0.083 16.038 4.124 1.00 0.00 C ATOM 546 C GLY A 37 -1.403 15.389 3.690 1.00 0.00 C ATOM 547 O GLY A 37 -1.503 14.164 3.753 1.00 0.00 O ATOM 0 H GLY A 37 1.833 16.310 3.402 1.00 0.00 H new ATOM 0 HA2 GLY A 37 0.388 15.400 4.872 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.306 16.988 4.610 1.00 0.00 H new ATOM 551 N PRO A 38 -2.434 16.159 3.294 1.00 0.00 N ATOM 552 CA PRO A 38 -3.704 15.630 2.806 1.00 0.00 C ATOM 553 C PRO A 38 -3.554 14.436 1.858 1.00 0.00 C ATOM 554 O PRO A 38 -4.301 13.466 1.949 1.00 0.00 O ATOM 555 CB PRO A 38 -4.392 16.813 2.126 1.00 0.00 C ATOM 556 CG PRO A 38 -3.924 17.991 2.979 1.00 0.00 C ATOM 557 CD PRO A 38 -2.482 17.615 3.325 1.00 0.00 C ATOM 0 HA PRO A 38 -4.290 15.226 3.632 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -4.087 16.918 1.085 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -5.477 16.711 2.132 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -3.975 18.932 2.431 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -4.536 18.110 3.873 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -1.783 18.045 2.608 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -2.204 17.995 4.308 1.00 0.00 H new ATOM 565 N CYS A 39 -2.571 14.491 0.960 1.00 0.00 N ATOM 566 CA CYS A 39 -2.295 13.406 0.027 1.00 0.00 C ATOM 567 C CYS A 39 -1.939 12.119 0.786 1.00 0.00 C ATOM 568 O CYS A 39 -2.306 11.023 0.367 1.00 0.00 O ATOM 569 CB CYS A 39 -1.161 13.808 -0.922 1.00 0.00 C ATOM 570 SG CYS A 39 0.483 13.686 -0.189 1.00 0.00 S ATOM 0 H CYS A 39 -1.945 15.290 0.861 1.00 0.00 H new ATOM 0 HA CYS A 39 -3.191 13.213 -0.563 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -1.201 13.175 -1.809 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -1.325 14.833 -1.254 1.00 0.00 H new ATOM 575 N LYS A 40 -1.216 12.231 1.906 1.00 0.00 N ATOM 576 CA LYS A 40 -0.822 11.100 2.733 1.00 0.00 C ATOM 577 C LYS A 40 -2.018 10.643 3.567 1.00 0.00 C ATOM 578 O LYS A 40 -2.156 9.453 3.834 1.00 0.00 O ATOM 579 CB LYS A 40 0.394 11.485 3.592 1.00 0.00 C ATOM 580 CG LYS A 40 1.022 10.285 4.326 1.00 0.00 C ATOM 581 CD LYS A 40 0.497 10.088 5.758 1.00 0.00 C ATOM 582 CE LYS A 40 1.039 11.120 6.758 1.00 0.00 C ATOM 583 NZ LYS A 40 2.471 10.917 7.043 1.00 0.00 N ATOM 0 H LYS A 40 -0.886 13.128 2.263 1.00 0.00 H new ATOM 0 HA LYS A 40 -0.518 10.257 2.112 1.00 0.00 H new ATOM 0 HB2 LYS A 40 1.148 11.949 2.956 1.00 0.00 H new ATOM 0 HB3 LYS A 40 0.091 12.233 4.325 1.00 0.00 H new ATOM 0 HG2 LYS A 40 0.830 9.379 3.751 1.00 0.00 H new ATOM 0 HG3 LYS A 40 2.103 10.418 4.361 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -0.592 10.141 5.748 1.00 0.00 H new ATOM 0 HD3 LYS A 40 0.764 9.088 6.100 1.00 0.00 H new ATOM 0 HE2 LYS A 40 0.888 12.124 6.360 1.00 0.00 H new ATOM 0 HE3 LYS A 40 0.472 11.056 7.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 2.771 11.568 7.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 2.628 9.936 7.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 3.026 11.103 6.183 1.00 0.00 H new ATOM 597 N MET A 41 -2.914 11.560 3.943 1.00 0.00 N ATOM 598 CA MET A 41 -4.122 11.232 4.706 1.00 0.00 C ATOM 599 C MET A 41 -5.077 10.320 3.924 1.00 0.00 C ATOM 600 O MET A 41 -6.071 9.868 4.483 1.00 0.00 O ATOM 601 CB MET A 41 -4.820 12.518 5.170 1.00 0.00 C ATOM 602 CG MET A 41 -3.947 13.318 6.145 1.00 0.00 C ATOM 603 SD MET A 41 -4.625 14.929 6.611 1.00 0.00 S ATOM 604 CE MET A 41 -3.272 15.541 7.640 1.00 0.00 C ATOM 0 H MET A 41 -2.822 12.553 3.727 1.00 0.00 H new ATOM 0 HA MET A 41 -3.816 10.667 5.586 1.00 0.00 H new ATOM 0 HB2 MET A 41 -5.058 13.136 4.304 1.00 0.00 H new ATOM 0 HB3 MET A 41 -5.765 12.266 5.651 1.00 0.00 H new ATOM 0 HG2 MET A 41 -3.797 12.726 7.048 1.00 0.00 H new ATOM 0 HG3 MET A 41 -2.965 13.467 5.695 1.00 0.00 H new ATOM 0 HE1 MET A 41 -3.521 16.533 8.016 1.00 0.00 H new ATOM 0 HE2 MET A 41 -3.118 14.863 8.479 1.00 0.00 H new ATOM 0 HE3 MET A 41 -2.360 15.597 7.046 1.00 0.00 H new ATOM 614 N ILE A 42 -4.783 9.997 2.664 1.00 0.00 N ATOM 615 CA ILE A 42 -5.541 8.997 1.926 1.00 0.00 C ATOM 616 C ILE A 42 -5.086 7.593 2.380 1.00 0.00 C ATOM 617 O ILE A 42 -5.851 6.636 2.294 1.00 0.00 O ATOM 618 CB ILE A 42 -5.379 9.266 0.421 1.00 0.00 C ATOM 619 CG1 ILE A 42 -6.151 10.562 0.096 1.00 0.00 C ATOM 620 CG2 ILE A 42 -5.919 8.091 -0.401 1.00 0.00 C ATOM 621 CD1 ILE A 42 -5.743 11.202 -1.230 1.00 0.00 C ATOM 0 H ILE A 42 -4.020 10.419 2.134 1.00 0.00 H new ATOM 0 HA ILE A 42 -6.610 9.052 2.133 1.00 0.00 H new ATOM 0 HB ILE A 42 -4.325 9.378 0.166 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -7.218 10.342 0.070 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -5.993 11.280 0.900 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -5.795 8.302 -1.463 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -5.370 7.185 -0.145 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -6.977 7.949 -0.181 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -6.327 12.108 -1.392 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -4.683 11.454 -1.201 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -5.928 10.501 -2.044 1.00 0.00 H new ATOM 633 N ALA A 43 -3.867 7.452 2.912 1.00 0.00 N ATOM 634 CA ALA A 43 -3.343 6.191 3.434 1.00 0.00 C ATOM 635 C ALA A 43 -4.312 5.521 4.431 1.00 0.00 C ATOM 636 O ALA A 43 -4.647 4.356 4.226 1.00 0.00 O ATOM 637 CB ALA A 43 -1.957 6.413 4.047 1.00 0.00 C ATOM 0 H ALA A 43 -3.208 8.226 2.992 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.244 5.497 2.600 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -1.574 5.468 4.433 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.279 6.794 3.284 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -2.030 7.135 4.861 1.00 0.00 H new ATOM 643 N PRO A 44 -4.789 6.183 5.504 1.00 0.00 N ATOM 644 CA PRO A 44 -5.761 5.583 6.412 1.00 0.00 C ATOM 645 C PRO A 44 -7.060 5.207 5.694 1.00 0.00 C ATOM 646 O PRO A 44 -7.721 4.250 6.082 1.00 0.00 O ATOM 647 CB PRO A 44 -5.994 6.597 7.536 1.00 0.00 C ATOM 648 CG PRO A 44 -5.576 7.919 6.903 1.00 0.00 C ATOM 649 CD PRO A 44 -4.411 7.490 6.010 1.00 0.00 C ATOM 0 HA PRO A 44 -5.382 4.645 6.817 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -7.037 6.614 7.853 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -5.396 6.366 8.418 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -6.385 8.370 6.329 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -5.269 8.650 7.651 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -4.255 8.199 5.196 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -3.479 7.441 6.573 1.00 0.00 H new ATOM 657 N LEU A 45 -7.445 5.935 4.644 1.00 0.00 N ATOM 658 CA LEU A 45 -8.631 5.548 3.879 1.00 0.00 C ATOM 659 C LEU A 45 -8.325 4.227 3.159 1.00 0.00 C ATOM 660 O LEU A 45 -9.108 3.276 3.234 1.00 0.00 O ATOM 661 CB LEU A 45 -9.056 6.664 2.907 1.00 0.00 C ATOM 662 CG LEU A 45 -9.951 7.754 3.522 1.00 0.00 C ATOM 663 CD1 LEU A 45 -11.381 7.252 3.761 1.00 0.00 C ATOM 664 CD2 LEU A 45 -9.374 8.340 4.811 1.00 0.00 C ATOM 0 H LEU A 45 -6.968 6.773 4.311 1.00 0.00 H new ATOM 0 HA LEU A 45 -9.479 5.399 4.547 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -8.160 7.135 2.504 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -9.584 6.212 2.067 1.00 0.00 H new ATOM 0 HG LEU A 45 -9.984 8.556 2.785 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -11.980 8.052 4.196 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -11.822 6.944 2.813 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -11.359 6.403 4.444 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -10.049 9.103 5.198 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -9.259 7.548 5.551 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -8.402 8.787 4.604 1.00 0.00 H new ATOM 676 N PHE A 46 -7.176 4.149 2.483 1.00 0.00 N ATOM 677 CA PHE A 46 -6.701 2.949 1.798 1.00 0.00 C ATOM 678 C PHE A 46 -6.598 1.777 2.782 1.00 0.00 C ATOM 679 O PHE A 46 -6.882 0.632 2.419 1.00 0.00 O ATOM 680 CB PHE A 46 -5.353 3.262 1.137 1.00 0.00 C ATOM 681 CG PHE A 46 -4.600 2.081 0.549 1.00 0.00 C ATOM 682 CD1 PHE A 46 -5.072 1.453 -0.617 1.00 0.00 C ATOM 683 CD2 PHE A 46 -3.327 1.750 1.047 1.00 0.00 C ATOM 684 CE1 PHE A 46 -4.213 0.628 -1.366 1.00 0.00 C ATOM 685 CE2 PHE A 46 -2.481 0.897 0.318 1.00 0.00 C ATOM 686 CZ PHE A 46 -2.902 0.377 -0.916 1.00 0.00 C ATOM 0 H PHE A 46 -6.536 4.939 2.396 1.00 0.00 H new ATOM 0 HA PHE A 46 -7.408 2.651 1.024 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -5.522 3.989 0.343 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -4.712 3.742 1.877 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -6.092 1.604 -0.937 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -2.998 2.153 1.994 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -4.560 0.186 -2.288 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -1.507 0.641 0.707 1.00 0.00 H new ATOM 0 HZ PHE A 46 -2.225 -0.212 -1.517 1.00 0.00 H new ATOM 696 N GLU A 47 -6.224 2.056 4.040 1.00 0.00 N ATOM 697 CA GLU A 47 -6.146 1.056 5.100 1.00 0.00 C ATOM 698 C GLU A 47 -7.445 0.244 5.166 1.00 0.00 C ATOM 699 O GLU A 47 -7.405 -0.948 5.456 1.00 0.00 O ATOM 700 CB GLU A 47 -5.858 1.723 6.453 1.00 0.00 C ATOM 701 CG GLU A 47 -5.474 0.730 7.561 1.00 0.00 C ATOM 702 CD GLU A 47 -4.101 0.103 7.346 1.00 0.00 C ATOM 703 OE1 GLU A 47 -3.124 0.710 7.836 1.00 0.00 O ATOM 704 OE2 GLU A 47 -4.052 -0.965 6.700 1.00 0.00 O ATOM 0 H GLU A 47 -5.966 2.994 4.347 1.00 0.00 H new ATOM 0 HA GLU A 47 -5.325 0.376 4.872 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.051 2.445 6.328 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -6.739 2.282 6.768 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -5.487 1.243 8.522 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -6.224 -0.059 7.611 1.00 0.00 H new ATOM 711 N THR A 48 -8.595 0.865 4.880 1.00 0.00 N ATOM 712 CA THR A 48 -9.872 0.165 4.881 1.00 0.00 C ATOM 713 C THR A 48 -9.814 -1.008 3.895 1.00 0.00 C ATOM 714 O THR A 48 -10.036 -2.156 4.272 1.00 0.00 O ATOM 715 CB THR A 48 -11.008 1.138 4.521 1.00 0.00 C ATOM 716 OG1 THR A 48 -10.826 2.371 5.187 1.00 0.00 O ATOM 717 CG2 THR A 48 -12.365 0.558 4.930 1.00 0.00 C ATOM 0 H THR A 48 -8.661 1.855 4.645 1.00 0.00 H new ATOM 0 HA THR A 48 -10.072 -0.230 5.877 1.00 0.00 H new ATOM 0 HB THR A 48 -10.987 1.292 3.442 1.00 0.00 H new ATOM 0 HG1 THR A 48 -10.274 2.963 4.634 1.00 0.00 H new ATOM 0 HG21 THR A 48 -13.155 1.261 4.667 1.00 0.00 H new ATOM 0 HG22 THR A 48 -12.530 -0.385 4.409 1.00 0.00 H new ATOM 0 HG23 THR A 48 -12.377 0.384 6.006 1.00 0.00 H new ATOM 725 N LEU A 49 -9.466 -0.733 2.634 1.00 0.00 N ATOM 726 CA LEU A 49 -9.385 -1.770 1.614 1.00 0.00 C ATOM 727 C LEU A 49 -8.293 -2.766 2.010 1.00 0.00 C ATOM 728 O LEU A 49 -8.479 -3.973 1.880 1.00 0.00 O ATOM 729 CB LEU A 49 -9.095 -1.167 0.234 1.00 0.00 C ATOM 730 CG LEU A 49 -10.287 -0.460 -0.426 1.00 0.00 C ATOM 731 CD1 LEU A 49 -10.785 0.753 0.361 1.00 0.00 C ATOM 732 CD2 LEU A 49 -9.854 0.000 -1.822 1.00 0.00 C ATOM 0 H LEU A 49 -9.236 0.203 2.300 1.00 0.00 H new ATOM 0 HA LEU A 49 -10.344 -2.284 1.547 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -8.276 -0.454 0.330 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -8.750 -1.961 -0.428 1.00 0.00 H new ATOM 0 HG LEU A 49 -11.112 -1.172 -0.464 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -11.628 1.205 -0.162 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -11.102 0.437 1.355 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -9.981 1.483 0.452 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -10.685 0.506 -2.312 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -9.012 0.687 -1.734 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -9.556 -0.865 -2.414 1.00 0.00 H new ATOM 744 N SER A 50 -7.165 -2.250 2.509 1.00 0.00 N ATOM 745 CA SER A 50 -6.059 -3.070 3.000 1.00 0.00 C ATOM 746 C SER A 50 -6.604 -4.135 3.955 1.00 0.00 C ATOM 747 O SER A 50 -6.388 -5.324 3.743 1.00 0.00 O ATOM 748 CB SER A 50 -4.993 -2.191 3.663 1.00 0.00 C ATOM 749 OG SER A 50 -4.686 -1.028 2.915 1.00 0.00 O ATOM 0 H SER A 50 -6.995 -1.247 2.583 1.00 0.00 H new ATOM 0 HA SER A 50 -5.576 -3.578 2.165 1.00 0.00 H new ATOM 0 HB2 SER A 50 -5.338 -1.897 4.654 1.00 0.00 H new ATOM 0 HB3 SER A 50 -4.084 -2.776 3.803 1.00 0.00 H new ATOM 0 HG SER A 50 -5.458 -0.425 2.917 1.00 0.00 H new ATOM 755 N ASN A 51 -7.338 -3.707 4.985 1.00 0.00 N ATOM 756 CA ASN A 51 -7.983 -4.593 5.940 1.00 0.00 C ATOM 757 C ASN A 51 -8.897 -5.569 5.202 1.00 0.00 C ATOM 758 O ASN A 51 -8.725 -6.781 5.298 1.00 0.00 O ATOM 759 CB ASN A 51 -8.785 -3.756 6.953 1.00 0.00 C ATOM 760 CG ASN A 51 -9.835 -4.580 7.698 1.00 0.00 C ATOM 761 OD1 ASN A 51 -9.537 -5.174 8.728 1.00 0.00 O ATOM 762 ND2 ASN A 51 -11.074 -4.622 7.207 1.00 0.00 N ATOM 0 H ASN A 51 -7.500 -2.718 5.176 1.00 0.00 H new ATOM 0 HA ASN A 51 -7.229 -5.167 6.478 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -8.099 -3.311 7.674 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -9.276 -2.935 6.431 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -11.796 -5.156 7.690 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -11.300 -4.120 6.348 1.00 0.00 H new ATOM 769 N ASP A 52 -9.853 -5.023 4.448 1.00 0.00 N ATOM 770 CA ASP A 52 -10.890 -5.783 3.759 1.00 0.00 C ATOM 771 C ASP A 52 -10.321 -6.945 2.949 1.00 0.00 C ATOM 772 O ASP A 52 -10.873 -8.043 2.970 1.00 0.00 O ATOM 773 CB ASP A 52 -11.684 -4.848 2.836 1.00 0.00 C ATOM 774 CG ASP A 52 -12.390 -3.717 3.586 1.00 0.00 C ATOM 775 OD1 ASP A 52 -12.429 -3.776 4.838 1.00 0.00 O ATOM 776 OD2 ASP A 52 -12.870 -2.800 2.885 1.00 0.00 O ATOM 0 H ASP A 52 -9.927 -4.017 4.298 1.00 0.00 H new ATOM 0 HA ASP A 52 -11.544 -6.209 4.520 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -11.008 -4.418 2.096 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -12.425 -5.431 2.290 1.00 0.00 H new ATOM 781 N TYR A 53 -9.235 -6.696 2.218 1.00 0.00 N ATOM 782 CA TYR A 53 -8.618 -7.678 1.343 1.00 0.00 C ATOM 783 C TYR A 53 -7.454 -8.437 1.997 1.00 0.00 C ATOM 784 O TYR A 53 -6.878 -9.315 1.351 1.00 0.00 O ATOM 785 CB TYR A 53 -8.156 -6.938 0.084 1.00 0.00 C ATOM 786 CG TYR A 53 -9.266 -6.642 -0.904 1.00 0.00 C ATOM 787 CD1 TYR A 53 -10.028 -5.463 -0.814 1.00 0.00 C ATOM 788 CD2 TYR A 53 -9.552 -7.579 -1.911 1.00 0.00 C ATOM 789 CE1 TYR A 53 -11.086 -5.237 -1.711 1.00 0.00 C ATOM 790 CE2 TYR A 53 -10.586 -7.334 -2.826 1.00 0.00 C ATOM 791 CZ TYR A 53 -11.386 -6.187 -2.705 1.00 0.00 C ATOM 792 OH TYR A 53 -12.394 -5.953 -3.594 1.00 0.00 O ATOM 0 H TYR A 53 -8.757 -5.795 2.221 1.00 0.00 H new ATOM 0 HA TYR A 53 -9.353 -8.447 1.104 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -7.687 -5.999 0.379 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -7.391 -7.534 -0.414 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -9.800 -4.730 -0.054 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -8.975 -8.489 -1.980 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -11.670 -4.332 -1.637 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -10.768 -8.033 -3.629 1.00 0.00 H new ATOM 0 HH TYR A 53 -12.466 -6.709 -4.213 1.00 0.00 H new ATOM 802 N ALA A 54 -7.089 -8.127 3.248 1.00 0.00 N ATOM 803 CA ALA A 54 -5.960 -8.754 3.928 1.00 0.00 C ATOM 804 C ALA A 54 -6.042 -10.283 3.858 1.00 0.00 C ATOM 805 O ALA A 54 -7.107 -10.858 4.069 1.00 0.00 O ATOM 806 CB ALA A 54 -5.925 -8.308 5.393 1.00 0.00 C ATOM 0 H ALA A 54 -7.574 -7.431 3.815 1.00 0.00 H new ATOM 0 HA ALA A 54 -5.047 -8.440 3.423 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -5.081 -8.779 5.897 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -5.818 -7.224 5.441 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -6.852 -8.603 5.885 1.00 0.00 H new ATOM 812 N GLY A 55 -4.914 -10.943 3.570 1.00 0.00 N ATOM 813 CA GLY A 55 -4.825 -12.391 3.469 1.00 0.00 C ATOM 814 C GLY A 55 -4.246 -12.760 2.111 1.00 0.00 C ATOM 815 O GLY A 55 -3.122 -13.256 2.026 1.00 0.00 O ATOM 0 H GLY A 55 -4.026 -10.471 3.399 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -4.195 -12.786 4.266 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -5.812 -12.838 3.591 1.00 0.00 H new ATOM 819 N LYS A 56 -4.987 -12.493 1.034 1.00 0.00 N ATOM 820 CA LYS A 56 -4.531 -12.816 -0.312 1.00 0.00 C ATOM 821 C LYS A 56 -3.578 -11.741 -0.827 1.00 0.00 C ATOM 822 O LYS A 56 -2.451 -12.048 -1.198 1.00 0.00 O ATOM 823 CB LYS A 56 -5.742 -12.975 -1.242 1.00 0.00 C ATOM 824 CG LYS A 56 -5.320 -13.344 -2.672 1.00 0.00 C ATOM 825 CD LYS A 56 -6.550 -13.655 -3.531 1.00 0.00 C ATOM 826 CE LYS A 56 -6.119 -14.099 -4.934 1.00 0.00 C ATOM 827 NZ LYS A 56 -7.286 -14.453 -5.759 1.00 0.00 N ATOM 0 H LYS A 56 -5.906 -12.053 1.072 1.00 0.00 H new ATOM 0 HA LYS A 56 -3.984 -13.759 -0.289 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -6.404 -13.746 -0.848 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -6.311 -12.045 -1.260 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -4.758 -12.522 -3.115 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -4.656 -14.208 -2.650 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -7.143 -14.439 -3.060 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -7.186 -12.773 -3.601 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -5.558 -13.298 -5.416 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -5.450 -14.956 -4.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -6.977 -15.026 -6.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -7.963 -14.998 -5.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -7.744 -13.585 -6.103 1.00 0.00 H new ATOM 841 N VAL A 57 -3.980 -10.476 -0.745 1.00 0.00 N ATOM 842 CA VAL A 57 -3.300 -9.351 -1.383 1.00 0.00 C ATOM 843 C VAL A 57 -2.041 -8.925 -0.639 1.00 0.00 C ATOM 844 O VAL A 57 -1.731 -9.455 0.428 1.00 0.00 O ATOM 845 CB VAL A 57 -4.292 -8.175 -1.399 1.00 0.00 C ATOM 846 CG1 VAL A 57 -5.623 -8.592 -2.043 1.00 0.00 C ATOM 847 CG2 VAL A 57 -4.506 -7.657 0.037 1.00 0.00 C ATOM 0 H VAL A 57 -4.809 -10.197 -0.220 1.00 0.00 H new ATOM 0 HA VAL A 57 -2.990 -9.651 -2.384 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.876 -7.368 -2.002 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -6.308 -7.744 -2.043 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -5.445 -8.915 -3.069 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -6.061 -9.413 -1.475 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -5.209 -6.824 0.022 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -4.906 -8.459 0.657 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -3.554 -7.321 0.448 1.00 0.00 H new ATOM 857 N ILE A 58 -1.300 -7.980 -1.223 1.00 0.00 N ATOM 858 CA ILE A 58 -0.137 -7.373 -0.595 1.00 0.00 C ATOM 859 C ILE A 58 -0.336 -5.861 -0.728 1.00 0.00 C ATOM 860 O ILE A 58 -0.038 -5.293 -1.776 1.00 0.00 O ATOM 861 CB ILE A 58 1.158 -7.885 -1.260 1.00 0.00 C ATOM 862 CG1 ILE A 58 1.339 -9.409 -1.130 1.00 0.00 C ATOM 863 CG2 ILE A 58 2.392 -7.162 -0.701 1.00 0.00 C ATOM 864 CD1 ILE A 58 1.596 -9.911 0.293 1.00 0.00 C ATOM 0 H ILE A 58 -1.498 -7.615 -2.155 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.037 -7.637 0.458 1.00 0.00 H new ATOM 0 HB ILE A 58 1.059 -7.659 -2.322 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.446 -9.900 -1.517 1.00 0.00 H new ATOM 0 HG13 ILE A 58 2.171 -9.716 -1.763 1.00 0.00 H new ATOM 0 HG21 ILE A 58 3.289 -7.544 -1.188 1.00 0.00 H new ATOM 0 HG22 ILE A 58 2.304 -6.092 -0.890 1.00 0.00 H new ATOM 0 HG23 ILE A 58 2.460 -7.336 0.373 1.00 0.00 H new ATOM 0 HD11 ILE A 58 1.710 -10.995 0.281 1.00 0.00 H new ATOM 0 HD12 ILE A 58 2.507 -9.455 0.681 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.755 -9.641 0.931 1.00 0.00 H new ATOM 876 N PHE A 59 -0.899 -5.212 0.295 1.00 0.00 N ATOM 877 CA PHE A 59 -1.114 -3.771 0.273 1.00 0.00 C ATOM 878 C PHE A 59 0.086 -3.088 0.921 1.00 0.00 C ATOM 879 O PHE A 59 0.599 -3.550 1.939 1.00 0.00 O ATOM 880 CB PHE A 59 -2.429 -3.377 0.951 1.00 0.00 C ATOM 881 CG PHE A 59 -3.661 -3.378 0.057 1.00 0.00 C ATOM 882 CD1 PHE A 59 -4.008 -4.508 -0.704 1.00 0.00 C ATOM 883 CD2 PHE A 59 -4.536 -2.279 0.076 1.00 0.00 C ATOM 884 CE1 PHE A 59 -5.301 -4.619 -1.250 1.00 0.00 C ATOM 885 CE2 PHE A 59 -5.811 -2.376 -0.500 1.00 0.00 C ATOM 886 CZ PHE A 59 -6.239 -3.592 -1.057 1.00 0.00 C ATOM 0 H PHE A 59 -1.214 -5.669 1.151 1.00 0.00 H new ATOM 0 HA PHE A 59 -1.202 -3.438 -0.761 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -2.606 -4.059 1.782 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -2.312 -2.380 1.376 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -3.283 -5.291 -0.870 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -4.225 -1.353 0.537 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -5.572 -5.496 -1.819 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -6.464 -1.516 -0.515 1.00 0.00 H new ATOM 0 HZ PHE A 59 -7.273 -3.735 -1.333 1.00 0.00 H new ATOM 896 N LEU A 60 0.519 -1.978 0.321 1.00 0.00 N ATOM 897 CA LEU A 60 1.718 -1.262 0.718 1.00 0.00 C ATOM 898 C LEU A 60 1.481 0.249 0.707 1.00 0.00 C ATOM 899 O LEU A 60 1.022 0.795 -0.291 1.00 0.00 O ATOM 900 CB LEU A 60 2.829 -1.666 -0.275 1.00 0.00 C ATOM 901 CG LEU A 60 3.940 -2.462 0.419 1.00 0.00 C ATOM 902 CD1 LEU A 60 4.679 -3.384 -0.557 1.00 0.00 C ATOM 903 CD2 LEU A 60 4.930 -1.465 1.028 1.00 0.00 C ATOM 0 H LEU A 60 0.033 -1.549 -0.467 1.00 0.00 H new ATOM 0 HA LEU A 60 2.006 -1.519 1.737 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.400 -2.263 -1.079 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.252 -0.772 -0.733 1.00 0.00 H new ATOM 0 HG LEU A 60 3.492 -3.093 1.187 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.458 -3.929 -0.024 1.00 0.00 H new ATOM 0 HD12 LEU A 60 3.974 -4.092 -0.993 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.131 -2.788 -1.349 1.00 0.00 H new ATOM 0 HD21 LEU A 60 5.732 -2.008 1.529 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.351 -0.842 0.239 1.00 0.00 H new ATOM 0 HD23 LEU A 60 4.413 -0.834 1.751 1.00 0.00 H new ATOM 915 N LYS A 61 1.762 0.937 1.815 1.00 0.00 N ATOM 916 CA LYS A 61 1.700 2.396 1.873 1.00 0.00 C ATOM 917 C LYS A 61 3.136 2.906 1.754 1.00 0.00 C ATOM 918 O LYS A 61 3.968 2.523 2.574 1.00 0.00 O ATOM 919 CB LYS A 61 1.023 2.828 3.178 1.00 0.00 C ATOM 920 CG LYS A 61 -0.491 2.607 3.083 1.00 0.00 C ATOM 921 CD LYS A 61 -1.160 2.623 4.463 1.00 0.00 C ATOM 922 CE LYS A 61 -1.082 1.250 5.139 1.00 0.00 C ATOM 923 NZ LYS A 61 -2.013 0.278 4.536 1.00 0.00 N ATOM 0 H LYS A 61 2.038 0.499 2.694 1.00 0.00 H new ATOM 0 HA LYS A 61 1.104 2.818 1.063 1.00 0.00 H new ATOM 0 HB2 LYS A 61 1.430 2.259 4.014 1.00 0.00 H new ATOM 0 HB3 LYS A 61 1.233 3.879 3.376 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -0.932 3.382 2.457 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -0.688 1.653 2.595 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -0.677 3.369 5.094 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -2.204 2.920 4.360 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -0.064 0.868 5.066 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -1.307 1.356 6.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -1.855 -0.661 4.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -2.992 0.577 4.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -1.849 0.231 3.510 1.00 0.00 H new ATOM 937 N VAL A 62 3.442 3.710 0.724 1.00 0.00 N ATOM 938 CA VAL A 62 4.792 4.204 0.475 1.00 0.00 C ATOM 939 C VAL A 62 4.829 5.732 0.442 1.00 0.00 C ATOM 940 O VAL A 62 3.990 6.371 -0.196 1.00 0.00 O ATOM 941 CB VAL A 62 5.350 3.588 -0.823 1.00 0.00 C ATOM 942 CG1 VAL A 62 6.723 4.189 -1.171 1.00 0.00 C ATOM 943 CG2 VAL A 62 5.495 2.065 -0.685 1.00 0.00 C ATOM 0 H VAL A 62 2.754 4.033 0.043 1.00 0.00 H new ATOM 0 HA VAL A 62 5.433 3.893 1.300 1.00 0.00 H new ATOM 0 HB VAL A 62 4.643 3.816 -1.621 1.00 0.00 H new ATOM 0 HG11 VAL A 62 7.095 3.738 -2.091 1.00 0.00 H new ATOM 0 HG12 VAL A 62 6.624 5.266 -1.309 1.00 0.00 H new ATOM 0 HG13 VAL A 62 7.423 3.990 -0.360 1.00 0.00 H new ATOM 0 HG21 VAL A 62 5.890 1.652 -1.613 1.00 0.00 H new ATOM 0 HG22 VAL A 62 6.178 1.837 0.134 1.00 0.00 H new ATOM 0 HG23 VAL A 62 4.520 1.624 -0.478 1.00 0.00 H new ATOM 953 N ASP A 63 5.834 6.299 1.122 1.00 0.00 N ATOM 954 CA ASP A 63 6.097 7.725 1.189 1.00 0.00 C ATOM 955 C ASP A 63 7.207 8.031 0.186 1.00 0.00 C ATOM 956 O ASP A 63 8.393 7.877 0.471 1.00 0.00 O ATOM 957 CB ASP A 63 6.462 8.128 2.625 1.00 0.00 C ATOM 958 CG ASP A 63 5.203 8.303 3.457 1.00 0.00 C ATOM 959 OD1 ASP A 63 4.618 9.405 3.356 1.00 0.00 O ATOM 960 OD2 ASP A 63 4.837 7.345 4.172 1.00 0.00 O ATOM 0 H ASP A 63 6.506 5.749 1.657 1.00 0.00 H new ATOM 0 HA ASP A 63 5.215 8.310 0.928 1.00 0.00 H new ATOM 0 HB2 ASP A 63 7.100 7.366 3.073 1.00 0.00 H new ATOM 0 HB3 ASP A 63 7.033 9.057 2.616 1.00 0.00 H new ATOM 965 N VAL A 64 6.796 8.450 -1.008 1.00 0.00 N ATOM 966 CA VAL A 64 7.611 8.841 -2.150 1.00 0.00 C ATOM 967 C VAL A 64 8.700 9.830 -1.730 1.00 0.00 C ATOM 968 O VAL A 64 9.839 9.734 -2.180 1.00 0.00 O ATOM 969 CB VAL A 64 6.663 9.456 -3.200 1.00 0.00 C ATOM 970 CG1 VAL A 64 7.394 10.155 -4.350 1.00 0.00 C ATOM 971 CG2 VAL A 64 5.725 8.382 -3.765 1.00 0.00 C ATOM 0 H VAL A 64 5.801 8.531 -1.217 1.00 0.00 H new ATOM 0 HA VAL A 64 8.125 7.977 -2.570 1.00 0.00 H new ATOM 0 HB VAL A 64 6.090 10.222 -2.677 1.00 0.00 H new ATOM 0 HG11 VAL A 64 6.665 10.563 -5.050 1.00 0.00 H new ATOM 0 HG12 VAL A 64 8.008 10.963 -3.953 1.00 0.00 H new ATOM 0 HG13 VAL A 64 8.030 9.436 -4.867 1.00 0.00 H new ATOM 0 HG21 VAL A 64 5.062 8.831 -4.505 1.00 0.00 H new ATOM 0 HG22 VAL A 64 6.314 7.595 -4.236 1.00 0.00 H new ATOM 0 HG23 VAL A 64 5.131 7.956 -2.956 1.00 0.00 H new ATOM 981 N ASP A 65 8.347 10.788 -0.870 1.00 0.00 N ATOM 982 CA ASP A 65 9.269 11.789 -0.348 1.00 0.00 C ATOM 983 C ASP A 65 10.386 11.143 0.483 1.00 0.00 C ATOM 984 O ASP A 65 11.439 11.753 0.646 1.00 0.00 O ATOM 985 CB ASP A 65 8.504 12.861 0.448 1.00 0.00 C ATOM 986 CG ASP A 65 7.608 12.344 1.575 1.00 0.00 C ATOM 987 OD1 ASP A 65 7.089 11.216 1.442 1.00 0.00 O ATOM 988 OD2 ASP A 65 7.385 13.126 2.523 1.00 0.00 O ATOM 0 H ASP A 65 7.397 10.888 -0.514 1.00 0.00 H new ATOM 0 HA ASP A 65 9.752 12.283 -1.191 1.00 0.00 H new ATOM 0 HB2 ASP A 65 9.228 13.555 0.875 1.00 0.00 H new ATOM 0 HB3 ASP A 65 7.888 13.431 -0.247 1.00 0.00 H new ATOM 993 N ALA A 66 10.169 9.932 1.008 1.00 0.00 N ATOM 994 CA ALA A 66 11.170 9.174 1.742 1.00 0.00 C ATOM 995 C ALA A 66 11.818 8.156 0.796 1.00 0.00 C ATOM 996 O ALA A 66 12.959 8.340 0.374 1.00 0.00 O ATOM 997 CB ALA A 66 10.526 8.501 2.961 1.00 0.00 C ATOM 0 H ALA A 66 9.274 9.449 0.929 1.00 0.00 H new ATOM 0 HA ALA A 66 11.951 9.837 2.115 1.00 0.00 H new ATOM 0 HB1 ALA A 66 11.282 7.935 3.506 1.00 0.00 H new ATOM 0 HB2 ALA A 66 10.101 9.263 3.615 1.00 0.00 H new ATOM 0 HB3 ALA A 66 9.737 7.826 2.629 1.00 0.00 H new ATOM 1003 N VAL A 67 11.100 7.093 0.420 1.00 0.00 N ATOM 1004 CA VAL A 67 11.644 6.039 -0.436 1.00 0.00 C ATOM 1005 C VAL A 67 11.489 6.447 -1.908 1.00 0.00 C ATOM 1006 O VAL A 67 10.837 5.788 -2.722 1.00 0.00 O ATOM 1007 CB VAL A 67 11.044 4.676 -0.038 1.00 0.00 C ATOM 1008 CG1 VAL A 67 11.650 3.522 -0.846 1.00 0.00 C ATOM 1009 CG2 VAL A 67 11.402 4.369 1.425 1.00 0.00 C ATOM 0 H VAL A 67 10.131 6.941 0.700 1.00 0.00 H new ATOM 0 HA VAL A 67 12.717 5.912 -0.292 1.00 0.00 H new ATOM 0 HB VAL A 67 9.971 4.748 -0.214 1.00 0.00 H new ATOM 0 HG11 VAL A 67 11.198 2.581 -0.532 1.00 0.00 H new ATOM 0 HG12 VAL A 67 11.458 3.681 -1.907 1.00 0.00 H new ATOM 0 HG13 VAL A 67 12.726 3.483 -0.674 1.00 0.00 H new ATOM 0 HG21 VAL A 67 10.979 3.405 1.709 1.00 0.00 H new ATOM 0 HG22 VAL A 67 12.486 4.336 1.535 1.00 0.00 H new ATOM 0 HG23 VAL A 67 10.996 5.148 2.070 1.00 0.00 H new ATOM 1019 N ALA A 68 12.168 7.544 -2.255 1.00 0.00 N ATOM 1020 CA ALA A 68 12.215 8.073 -3.610 1.00 0.00 C ATOM 1021 C ALA A 68 12.825 7.034 -4.553 1.00 0.00 C ATOM 1022 O ALA A 68 12.373 6.884 -5.686 1.00 0.00 O ATOM 1023 CB ALA A 68 13.034 9.365 -3.622 1.00 0.00 C ATOM 0 H ALA A 68 12.708 8.094 -1.587 1.00 0.00 H new ATOM 0 HA ALA A 68 11.205 8.295 -3.954 1.00 0.00 H new ATOM 0 HB1 ALA A 68 13.071 9.763 -4.636 1.00 0.00 H new ATOM 0 HB2 ALA A 68 12.569 10.097 -2.961 1.00 0.00 H new ATOM 0 HB3 ALA A 68 14.047 9.157 -3.277 1.00 0.00 H new ATOM 1029 N ALA A 69 13.832 6.303 -4.059 1.00 0.00 N ATOM 1030 CA ALA A 69 14.552 5.256 -4.776 1.00 0.00 C ATOM 1031 C ALA A 69 13.602 4.294 -5.494 1.00 0.00 C ATOM 1032 O ALA A 69 13.858 3.912 -6.633 1.00 0.00 O ATOM 1033 CB ALA A 69 15.431 4.487 -3.785 1.00 0.00 C ATOM 0 H ALA A 69 14.178 6.434 -3.108 1.00 0.00 H new ATOM 0 HA ALA A 69 15.169 5.728 -5.541 1.00 0.00 H new ATOM 0 HB1 ALA A 69 15.973 3.702 -4.312 1.00 0.00 H new ATOM 0 HB2 ALA A 69 16.142 5.171 -3.323 1.00 0.00 H new ATOM 0 HB3 ALA A 69 14.804 4.040 -3.014 1.00 0.00 H new ATOM 1039 N VAL A 70 12.520 3.883 -4.827 1.00 0.00 N ATOM 1040 CA VAL A 70 11.537 3.009 -5.450 1.00 0.00 C ATOM 1041 C VAL A 70 10.707 3.847 -6.421 1.00 0.00 C ATOM 1042 O VAL A 70 10.643 3.542 -7.609 1.00 0.00 O ATOM 1043 CB VAL A 70 10.654 2.343 -4.379 1.00 0.00 C ATOM 1044 CG1 VAL A 70 9.498 1.561 -5.019 1.00 0.00 C ATOM 1045 CG2 VAL A 70 11.467 1.342 -3.552 1.00 0.00 C ATOM 0 H VAL A 70 12.308 4.142 -3.863 1.00 0.00 H new ATOM 0 HA VAL A 70 12.032 2.206 -5.997 1.00 0.00 H new ATOM 0 HB VAL A 70 10.268 3.145 -3.750 1.00 0.00 H new ATOM 0 HG11 VAL A 70 8.892 1.102 -4.237 1.00 0.00 H new ATOM 0 HG12 VAL A 70 8.880 2.241 -5.605 1.00 0.00 H new ATOM 0 HG13 VAL A 70 9.900 0.784 -5.669 1.00 0.00 H new ATOM 0 HG21 VAL A 70 10.824 0.883 -2.801 1.00 0.00 H new ATOM 0 HG22 VAL A 70 11.868 0.569 -4.208 1.00 0.00 H new ATOM 0 HG23 VAL A 70 12.289 1.861 -3.058 1.00 0.00 H new ATOM 1055 N ALA A 71 10.076 4.903 -5.900 1.00 0.00 N ATOM 1056 CA ALA A 71 9.168 5.770 -6.645 1.00 0.00 C ATOM 1057 C ALA A 71 9.689 6.138 -8.041 1.00 0.00 C ATOM 1058 O ALA A 71 8.982 5.964 -9.034 1.00 0.00 O ATOM 1059 CB ALA A 71 8.905 7.036 -5.830 1.00 0.00 C ATOM 0 H ALA A 71 10.187 5.183 -4.925 1.00 0.00 H new ATOM 0 HA ALA A 71 8.243 5.215 -6.802 1.00 0.00 H new ATOM 0 HB1 ALA A 71 8.227 7.689 -6.380 1.00 0.00 H new ATOM 0 HB2 ALA A 71 8.454 6.767 -4.875 1.00 0.00 H new ATOM 0 HB3 ALA A 71 9.846 7.557 -5.653 1.00 0.00 H new ATOM 1065 N GLU A 72 10.923 6.642 -8.125 1.00 0.00 N ATOM 1066 CA GLU A 72 11.504 7.071 -9.392 1.00 0.00 C ATOM 1067 C GLU A 72 11.529 5.936 -10.424 1.00 0.00 C ATOM 1068 O GLU A 72 11.355 6.191 -11.613 1.00 0.00 O ATOM 1069 CB GLU A 72 12.901 7.662 -9.149 1.00 0.00 C ATOM 1070 CG GLU A 72 13.925 6.644 -8.632 1.00 0.00 C ATOM 1071 CD GLU A 72 15.197 7.332 -8.148 1.00 0.00 C ATOM 1072 OE1 GLU A 72 15.141 7.922 -7.047 1.00 0.00 O ATOM 1073 OE2 GLU A 72 16.199 7.264 -8.891 1.00 0.00 O ATOM 0 H GLU A 72 11.540 6.762 -7.322 1.00 0.00 H new ATOM 0 HA GLU A 72 10.871 7.850 -9.817 1.00 0.00 H new ATOM 0 HB2 GLU A 72 13.270 8.093 -10.080 1.00 0.00 H new ATOM 0 HB3 GLU A 72 12.820 8.478 -8.431 1.00 0.00 H new ATOM 0 HG2 GLU A 72 13.488 6.068 -7.816 1.00 0.00 H new ATOM 0 HG3 GLU A 72 14.171 5.938 -9.425 1.00 0.00 H new ATOM 1080 N ALA A 73 11.744 4.693 -9.983 1.00 0.00 N ATOM 1081 CA ALA A 73 11.767 3.538 -10.871 1.00 0.00 C ATOM 1082 C ALA A 73 10.339 3.074 -11.163 1.00 0.00 C ATOM 1083 O ALA A 73 10.011 2.723 -12.293 1.00 0.00 O ATOM 1084 CB ALA A 73 12.584 2.417 -10.221 1.00 0.00 C ATOM 0 H ALA A 73 11.906 4.465 -9.002 1.00 0.00 H new ATOM 0 HA ALA A 73 12.234 3.810 -11.817 1.00 0.00 H new ATOM 0 HB1 ALA A 73 12.604 1.551 -10.882 1.00 0.00 H new ATOM 0 HB2 ALA A 73 13.603 2.763 -10.046 1.00 0.00 H new ATOM 0 HB3 ALA A 73 12.128 2.138 -9.271 1.00 0.00 H new ATOM 1090 N ALA A 74 9.493 3.061 -10.130 1.00 0.00 N ATOM 1091 CA ALA A 74 8.109 2.619 -10.204 1.00 0.00 C ATOM 1092 C ALA A 74 7.300 3.452 -11.203 1.00 0.00 C ATOM 1093 O ALA A 74 6.533 2.900 -11.989 1.00 0.00 O ATOM 1094 CB ALA A 74 7.503 2.681 -8.799 1.00 0.00 C ATOM 0 H ALA A 74 9.765 3.367 -9.196 1.00 0.00 H new ATOM 0 HA ALA A 74 8.077 1.593 -10.569 1.00 0.00 H new ATOM 0 HB1 ALA A 74 6.464 2.353 -8.836 1.00 0.00 H new ATOM 0 HB2 ALA A 74 8.066 2.029 -8.131 1.00 0.00 H new ATOM 0 HB3 ALA A 74 7.547 3.705 -8.429 1.00 0.00 H new ATOM 1100 N GLY A 75 7.445 4.779 -11.145 1.00 0.00 N ATOM 1101 CA GLY A 75 6.749 5.708 -12.030 1.00 0.00 C ATOM 1102 C GLY A 75 5.542 6.328 -11.326 1.00 0.00 C ATOM 1103 O GLY A 75 4.400 5.904 -11.515 1.00 0.00 O ATOM 0 H GLY A 75 8.057 5.241 -10.473 1.00 0.00 H new ATOM 0 HA2 GLY A 75 7.433 6.494 -12.349 1.00 0.00 H new ATOM 0 HA3 GLY A 75 6.422 5.185 -12.929 1.00 0.00 H new ATOM 1107 N ILE A 76 5.804 7.337 -10.494 1.00 0.00 N ATOM 1108 CA ILE A 76 4.797 8.075 -9.740 1.00 0.00 C ATOM 1109 C ILE A 76 4.414 9.321 -10.539 1.00 0.00 C ATOM 1110 O ILE A 76 5.225 9.827 -11.313 1.00 0.00 O ATOM 1111 CB ILE A 76 5.369 8.414 -8.348 1.00 0.00 C ATOM 1112 CG1 ILE A 76 5.180 7.230 -7.391 1.00 0.00 C ATOM 1113 CG2 ILE A 76 4.687 9.624 -7.691 1.00 0.00 C ATOM 1114 CD1 ILE A 76 5.664 5.886 -7.936 1.00 0.00 C ATOM 0 H ILE A 76 6.752 7.671 -10.323 1.00 0.00 H new ATOM 0 HA ILE A 76 3.893 7.485 -9.587 1.00 0.00 H new ATOM 0 HB ILE A 76 6.421 8.643 -8.515 1.00 0.00 H new ATOM 0 HG12 ILE A 76 5.710 7.442 -6.462 1.00 0.00 H new ATOM 0 HG13 ILE A 76 4.122 7.146 -7.142 1.00 0.00 H new ATOM 0 HG21 ILE A 76 5.136 9.809 -6.715 1.00 0.00 H new ATOM 0 HG22 ILE A 76 4.817 10.503 -8.323 1.00 0.00 H new ATOM 0 HG23 ILE A 76 3.623 9.420 -7.568 1.00 0.00 H new ATOM 0 HD11 ILE A 76 5.491 5.108 -7.192 1.00 0.00 H new ATOM 0 HD12 ILE A 76 5.117 5.645 -8.848 1.00 0.00 H new ATOM 0 HD13 ILE A 76 6.730 5.946 -8.157 1.00 0.00 H new ATOM 1126 N THR A 77 3.179 9.801 -10.359 1.00 0.00 N ATOM 1127 CA THR A 77 2.690 11.004 -11.014 1.00 0.00 C ATOM 1128 C THR A 77 2.306 11.999 -9.916 1.00 0.00 C ATOM 1129 O THR A 77 3.180 12.523 -9.228 1.00 0.00 O ATOM 1130 CB THR A 77 1.538 10.630 -11.966 1.00 0.00 C ATOM 1131 OG1 THR A 77 0.444 10.085 -11.253 1.00 0.00 O ATOM 1132 CG2 THR A 77 1.992 9.605 -13.010 1.00 0.00 C ATOM 0 H THR A 77 2.491 9.358 -9.750 1.00 0.00 H new ATOM 0 HA THR A 77 3.444 11.482 -11.640 1.00 0.00 H new ATOM 0 HB THR A 77 1.231 11.549 -12.465 1.00 0.00 H new ATOM 0 HG1 THR A 77 0.753 9.752 -10.385 1.00 0.00 H new ATOM 0 HG21 THR A 77 1.157 9.361 -13.667 1.00 0.00 H new ATOM 0 HG22 THR A 77 2.808 10.023 -13.600 1.00 0.00 H new ATOM 0 HG23 THR A 77 2.334 8.701 -12.507 1.00 0.00 H new ATOM 1140 N ALA A 78 1.010 12.249 -9.731 1.00 0.00 N ATOM 1141 CA ALA A 78 0.491 13.080 -8.661 1.00 0.00 C ATOM 1142 C ALA A 78 0.228 12.155 -7.477 1.00 0.00 C ATOM 1143 O ALA A 78 -0.343 11.082 -7.656 1.00 0.00 O ATOM 1144 CB ALA A 78 -0.798 13.767 -9.118 1.00 0.00 C ATOM 0 H ALA A 78 0.282 11.869 -10.336 1.00 0.00 H new ATOM 0 HA ALA A 78 1.196 13.863 -8.382 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -1.184 14.390 -8.311 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -0.590 14.389 -9.989 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -1.539 13.012 -9.380 1.00 0.00 H new ATOM 1150 N MET A 79 0.672 12.526 -6.278 1.00 0.00 N ATOM 1151 CA MET A 79 0.438 11.718 -5.094 1.00 0.00 C ATOM 1152 C MET A 79 -1.024 11.907 -4.658 1.00 0.00 C ATOM 1153 O MET A 79 -1.462 13.053 -4.554 1.00 0.00 O ATOM 1154 CB MET A 79 1.392 12.148 -3.969 1.00 0.00 C ATOM 1155 CG MET A 79 2.851 11.752 -4.249 1.00 0.00 C ATOM 1156 SD MET A 79 3.747 12.726 -5.490 1.00 0.00 S ATOM 1157 CE MET A 79 4.066 14.234 -4.547 1.00 0.00 C ATOM 0 H MET A 79 1.196 13.384 -6.106 1.00 0.00 H new ATOM 0 HA MET A 79 0.623 10.667 -5.314 1.00 0.00 H new ATOM 0 HB2 MET A 79 1.331 13.228 -3.839 1.00 0.00 H new ATOM 0 HB3 MET A 79 1.070 11.695 -3.031 1.00 0.00 H new ATOM 0 HG2 MET A 79 3.403 11.809 -3.311 1.00 0.00 H new ATOM 0 HG3 MET A 79 2.864 10.709 -4.564 1.00 0.00 H new ATOM 0 HE1 MET A 79 3.826 15.103 -5.159 1.00 0.00 H new ATOM 0 HE2 MET A 79 3.447 14.240 -3.650 1.00 0.00 H new ATOM 0 HE3 MET A 79 5.118 14.270 -4.262 1.00 0.00 H new ATOM 1167 N PRO A 80 -1.785 10.836 -4.373 1.00 0.00 N ATOM 1168 CA PRO A 80 -1.385 9.440 -4.447 1.00 0.00 C ATOM 1169 C PRO A 80 -1.389 8.898 -5.876 1.00 0.00 C ATOM 1170 O PRO A 80 -2.326 9.151 -6.633 1.00 0.00 O ATOM 1171 CB PRO A 80 -2.430 8.649 -3.654 1.00 0.00 C ATOM 1172 CG PRO A 80 -3.177 9.695 -2.844 1.00 0.00 C ATOM 1173 CD PRO A 80 -3.080 10.938 -3.726 1.00 0.00 C ATOM 0 HA PRO A 80 -0.370 9.346 -4.060 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -3.104 8.108 -4.318 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -1.959 7.910 -3.006 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -4.213 9.405 -2.666 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -2.718 9.855 -1.868 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -3.887 10.967 -4.459 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -3.155 11.850 -3.134 1.00 0.00 H new ATOM 1181 N THR A 81 -0.366 8.118 -6.220 1.00 0.00 N ATOM 1182 CA THR A 81 -0.341 7.316 -7.429 1.00 0.00 C ATOM 1183 C THR A 81 -0.406 5.875 -6.917 1.00 0.00 C ATOM 1184 O THR A 81 0.477 5.422 -6.190 1.00 0.00 O ATOM 1185 CB THR A 81 0.903 7.602 -8.280 1.00 0.00 C ATOM 1186 OG1 THR A 81 0.915 8.923 -8.793 1.00 0.00 O ATOM 1187 CG2 THR A 81 0.963 6.648 -9.475 1.00 0.00 C ATOM 0 H THR A 81 0.478 8.028 -5.655 1.00 0.00 H new ATOM 0 HA THR A 81 -1.168 7.539 -8.104 1.00 0.00 H new ATOM 0 HB THR A 81 1.759 7.465 -7.620 1.00 0.00 H new ATOM 0 HG1 THR A 81 0.405 9.510 -8.197 1.00 0.00 H new ATOM 0 HG21 THR A 81 1.851 6.864 -10.069 1.00 0.00 H new ATOM 0 HG22 THR A 81 1.007 5.619 -9.117 1.00 0.00 H new ATOM 0 HG23 THR A 81 0.074 6.780 -10.091 1.00 0.00 H new ATOM 1195 N PHE A 82 -1.487 5.175 -7.243 1.00 0.00 N ATOM 1196 CA PHE A 82 -1.726 3.801 -6.849 1.00 0.00 C ATOM 1197 C PHE A 82 -1.280 2.888 -7.982 1.00 0.00 C ATOM 1198 O PHE A 82 -1.666 3.116 -9.126 1.00 0.00 O ATOM 1199 CB PHE A 82 -3.221 3.613 -6.575 1.00 0.00 C ATOM 1200 CG PHE A 82 -3.669 4.180 -5.245 1.00 0.00 C ATOM 1201 CD1 PHE A 82 -3.493 3.424 -4.071 1.00 0.00 C ATOM 1202 CD2 PHE A 82 -4.270 5.452 -5.170 1.00 0.00 C ATOM 1203 CE1 PHE A 82 -3.971 3.916 -2.846 1.00 0.00 C ATOM 1204 CE2 PHE A 82 -4.795 5.910 -3.950 1.00 0.00 C ATOM 1205 CZ PHE A 82 -4.648 5.140 -2.789 1.00 0.00 C ATOM 0 H PHE A 82 -2.242 5.565 -7.807 1.00 0.00 H new ATOM 0 HA PHE A 82 -1.167 3.558 -5.945 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -3.791 4.088 -7.374 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -3.456 2.549 -6.605 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -2.992 2.468 -4.112 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -4.327 6.075 -6.050 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -3.815 3.346 -1.942 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -5.313 6.857 -3.907 1.00 0.00 H new ATOM 0 HZ PHE A 82 -5.056 5.490 -1.852 1.00 0.00 H new ATOM 1215 N HIS A 83 -0.480 1.866 -7.682 1.00 0.00 N ATOM 1216 CA HIS A 83 -0.060 0.873 -8.666 1.00 0.00 C ATOM 1217 C HIS A 83 -0.477 -0.508 -8.178 1.00 0.00 C ATOM 1218 O HIS A 83 -0.510 -0.747 -6.969 1.00 0.00 O ATOM 1219 CB HIS A 83 1.453 0.846 -8.827 1.00 0.00 C ATOM 1220 CG HIS A 83 2.172 2.040 -9.388 1.00 0.00 C ATOM 1221 ND1 HIS A 83 3.564 2.063 -9.347 1.00 0.00 N ATOM 1222 CD2 HIS A 83 1.724 3.174 -10.016 1.00 0.00 C ATOM 1223 CE1 HIS A 83 3.901 3.205 -9.944 1.00 0.00 C ATOM 1224 NE2 HIS A 83 2.843 3.897 -10.386 1.00 0.00 N ATOM 0 H HIS A 83 -0.105 1.704 -6.747 1.00 0.00 H new ATOM 0 HA HIS A 83 -0.523 1.135 -9.617 1.00 0.00 H new ATOM 0 HB2 HIS A 83 1.880 0.643 -7.845 1.00 0.00 H new ATOM 0 HB3 HIS A 83 1.696 -0.006 -9.462 1.00 0.00 H new ATOM 0 HD2 HIS A 83 0.694 3.450 -10.189 1.00 0.00 H new ATOM 0 HE1 HIS A 83 4.922 3.538 -10.060 1.00 0.00 H new ATOM 0 HE2 HIS A 83 2.859 4.781 -10.894 1.00 0.00 H new ATOM 1232 N VAL A 84 -0.745 -1.416 -9.117 1.00 0.00 N ATOM 1233 CA VAL A 84 -1.084 -2.804 -8.861 1.00 0.00 C ATOM 1234 C VAL A 84 -0.138 -3.667 -9.690 1.00 0.00 C ATOM 1235 O VAL A 84 -0.210 -3.628 -10.919 1.00 0.00 O ATOM 1236 CB VAL A 84 -2.541 -3.107 -9.254 1.00 0.00 C ATOM 1237 CG1 VAL A 84 -2.941 -4.461 -8.657 1.00 0.00 C ATOM 1238 CG2 VAL A 84 -3.520 -2.031 -8.767 1.00 0.00 C ATOM 0 H VAL A 84 -0.730 -1.190 -10.112 1.00 0.00 H new ATOM 0 HA VAL A 84 -0.983 -3.015 -7.797 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.595 -3.124 -10.343 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -3.972 -4.688 -8.928 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -2.284 -5.239 -9.046 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -2.852 -4.421 -7.571 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -4.533 -2.296 -9.072 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.474 -1.963 -7.680 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -3.250 -1.069 -9.203 1.00 0.00 H new ATOM 1248 N TYR A 85 0.750 -4.428 -9.046 1.00 0.00 N ATOM 1249 CA TYR A 85 1.644 -5.369 -9.717 1.00 0.00 C ATOM 1250 C TYR A 85 1.117 -6.768 -9.393 1.00 0.00 C ATOM 1251 O TYR A 85 0.683 -6.984 -8.266 1.00 0.00 O ATOM 1252 CB TYR A 85 3.109 -5.192 -9.267 1.00 0.00 C ATOM 1253 CG TYR A 85 3.715 -3.794 -9.314 1.00 0.00 C ATOM 1254 CD1 TYR A 85 3.255 -2.785 -8.445 1.00 0.00 C ATOM 1255 CD2 TYR A 85 4.891 -3.563 -10.055 1.00 0.00 C ATOM 1256 CE1 TYR A 85 3.858 -1.515 -8.456 1.00 0.00 C ATOM 1257 CE2 TYR A 85 5.493 -2.295 -10.063 1.00 0.00 C ATOM 1258 CZ TYR A 85 4.936 -1.252 -9.312 1.00 0.00 C ATOM 1259 OH TYR A 85 5.439 0.009 -9.428 1.00 0.00 O ATOM 0 H TYR A 85 0.868 -4.406 -8.033 1.00 0.00 H new ATOM 0 HA TYR A 85 1.652 -5.195 -10.793 1.00 0.00 H new ATOM 0 HB2 TYR A 85 3.188 -5.555 -8.242 1.00 0.00 H new ATOM 0 HB3 TYR A 85 3.728 -5.844 -9.884 1.00 0.00 H new ATOM 0 HD1 TYR A 85 2.437 -2.988 -7.769 1.00 0.00 H new ATOM 0 HD2 TYR A 85 5.333 -4.369 -10.622 1.00 0.00 H new ATOM 0 HE1 TYR A 85 3.489 -0.739 -7.802 1.00 0.00 H new ATOM 0 HE2 TYR A 85 6.385 -2.124 -10.648 1.00 0.00 H new ATOM 0 HH TYR A 85 4.703 0.645 -9.549 1.00 0.00 H new ATOM 1269 N LYS A 86 1.064 -7.699 -10.353 1.00 0.00 N ATOM 1270 CA LYS A 86 0.564 -9.049 -10.063 1.00 0.00 C ATOM 1271 C LYS A 86 1.720 -9.965 -9.642 1.00 0.00 C ATOM 1272 O LYS A 86 2.152 -9.928 -8.495 1.00 0.00 O ATOM 1273 CB LYS A 86 -0.248 -9.593 -11.250 1.00 0.00 C ATOM 1274 CG LYS A 86 -1.644 -8.945 -11.296 1.00 0.00 C ATOM 1275 CD LYS A 86 -2.631 -9.698 -12.207 1.00 0.00 C ATOM 1276 CE LYS A 86 -2.626 -9.235 -13.670 1.00 0.00 C ATOM 1277 NZ LYS A 86 -1.302 -9.358 -14.302 1.00 0.00 N ATOM 0 H LYS A 86 1.355 -7.548 -11.319 1.00 0.00 H new ATOM 0 HA LYS A 86 -0.124 -9.010 -9.218 1.00 0.00 H new ATOM 0 HB2 LYS A 86 0.282 -9.394 -12.181 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -0.346 -10.675 -11.164 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -2.051 -8.903 -10.286 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -1.549 -7.917 -11.645 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -2.396 -10.762 -12.175 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -3.638 -9.582 -11.806 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -3.349 -9.823 -14.235 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -2.952 -8.196 -13.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -1.397 -9.246 -15.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -0.670 -8.621 -13.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -0.902 -10.295 -14.091 1.00 0.00 H new ATOM 1291 N ASP A 87 2.218 -10.794 -10.563 1.00 0.00 N ATOM 1292 CA ASP A 87 3.325 -11.721 -10.322 1.00 0.00 C ATOM 1293 C ASP A 87 4.533 -10.984 -9.748 1.00 0.00 C ATOM 1294 O ASP A 87 5.223 -11.441 -8.843 1.00 0.00 O ATOM 1295 CB ASP A 87 3.708 -12.403 -11.648 1.00 0.00 C ATOM 1296 CG ASP A 87 4.343 -11.489 -12.694 1.00 0.00 C ATOM 1297 OD1 ASP A 87 3.868 -10.336 -12.813 1.00 0.00 O ATOM 1298 OD2 ASP A 87 5.304 -11.947 -13.347 1.00 0.00 O ATOM 0 H ASP A 87 1.855 -10.840 -11.515 1.00 0.00 H new ATOM 0 HA ASP A 87 3.009 -12.471 -9.597 1.00 0.00 H new ATOM 0 HB2 ASP A 87 4.401 -13.216 -11.432 1.00 0.00 H new ATOM 0 HB3 ASP A 87 2.813 -12.852 -12.078 1.00 0.00 H new ATOM 1303 N GLY A 88 4.770 -9.824 -10.344 1.00 0.00 N ATOM 1304 CA GLY A 88 5.849 -8.907 -10.065 1.00 0.00 C ATOM 1305 C GLY A 88 5.759 -7.705 -11.002 1.00 0.00 C ATOM 1306 O GLY A 88 6.209 -6.622 -10.641 1.00 0.00 O ATOM 0 H GLY A 88 4.164 -9.481 -11.089 1.00 0.00 H new ATOM 0 HA2 GLY A 88 5.799 -8.576 -9.028 1.00 0.00 H new ATOM 0 HA3 GLY A 88 6.808 -9.409 -10.193 1.00 0.00 H new ATOM 1310 N VAL A 89 5.179 -7.869 -12.201 1.00 0.00 N ATOM 1311 CA VAL A 89 5.071 -6.789 -13.160 1.00 0.00 C ATOM 1312 C VAL A 89 3.840 -5.921 -12.870 1.00 0.00 C ATOM 1313 O VAL A 89 2.756 -6.437 -12.582 1.00 0.00 O ATOM 1314 CB VAL A 89 5.043 -7.357 -14.595 1.00 0.00 C ATOM 1315 CG1 VAL A 89 6.079 -8.474 -14.793 1.00 0.00 C ATOM 1316 CG2 VAL A 89 3.663 -7.838 -15.072 1.00 0.00 C ATOM 0 H VAL A 89 4.778 -8.751 -12.519 1.00 0.00 H new ATOM 0 HA VAL A 89 5.946 -6.146 -13.068 1.00 0.00 H new ATOM 0 HB VAL A 89 5.304 -6.502 -15.219 1.00 0.00 H new ATOM 0 HG11 VAL A 89 6.024 -8.844 -15.817 1.00 0.00 H new ATOM 0 HG12 VAL A 89 7.078 -8.082 -14.602 1.00 0.00 H new ATOM 0 HG13 VAL A 89 5.871 -9.290 -14.101 1.00 0.00 H new ATOM 0 HG21 VAL A 89 3.743 -8.220 -16.090 1.00 0.00 H new ATOM 0 HG22 VAL A 89 3.307 -8.631 -14.414 1.00 0.00 H new ATOM 0 HG23 VAL A 89 2.960 -7.005 -15.051 1.00 0.00 H new ATOM 1326 N LYS A 90 4.040 -4.600 -12.928 1.00 0.00 N ATOM 1327 CA LYS A 90 3.013 -3.569 -12.847 1.00 0.00 C ATOM 1328 C LYS A 90 1.934 -3.902 -13.882 1.00 0.00 C ATOM 1329 O LYS A 90 2.192 -3.875 -15.084 1.00 0.00 O ATOM 1330 CB LYS A 90 3.659 -2.198 -13.108 1.00 0.00 C ATOM 1331 CG LYS A 90 2.819 -1.049 -12.535 1.00 0.00 C ATOM 1332 CD LYS A 90 3.576 0.288 -12.590 1.00 0.00 C ATOM 1333 CE LYS A 90 3.962 0.728 -14.008 1.00 0.00 C ATOM 1334 NZ LYS A 90 2.810 0.699 -14.928 1.00 0.00 N ATOM 0 H LYS A 90 4.974 -4.206 -13.039 1.00 0.00 H new ATOM 0 HA LYS A 90 2.552 -3.533 -11.860 1.00 0.00 H new ATOM 0 HB2 LYS A 90 4.654 -2.176 -12.664 1.00 0.00 H new ATOM 0 HB3 LYS A 90 3.785 -2.055 -14.181 1.00 0.00 H new ATOM 0 HG2 LYS A 90 1.888 -0.964 -13.095 1.00 0.00 H new ATOM 0 HG3 LYS A 90 2.551 -1.274 -11.503 1.00 0.00 H new ATOM 0 HD2 LYS A 90 2.958 1.063 -12.136 1.00 0.00 H new ATOM 0 HD3 LYS A 90 4.480 0.207 -11.987 1.00 0.00 H new ATOM 0 HE2 LYS A 90 4.374 1.736 -13.975 1.00 0.00 H new ATOM 0 HE3 LYS A 90 4.747 0.075 -14.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 3.015 1.289 -15.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 2.634 -0.280 -15.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 1.968 1.067 -14.441 1.00 0.00 H new ATOM 1348 N ALA A 91 0.745 -4.257 -13.406 1.00 0.00 N ATOM 1349 CA ALA A 91 -0.374 -4.709 -14.209 1.00 0.00 C ATOM 1350 C ALA A 91 -1.385 -3.603 -14.481 1.00 0.00 C ATOM 1351 O ALA A 91 -1.939 -3.525 -15.574 1.00 0.00 O ATOM 1352 CB ALA A 91 -1.071 -5.838 -13.449 1.00 0.00 C ATOM 0 H ALA A 91 0.531 -4.235 -12.409 1.00 0.00 H new ATOM 0 HA ALA A 91 0.010 -5.040 -15.174 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -1.919 -6.199 -14.031 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -0.368 -6.655 -13.287 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -1.423 -5.466 -12.487 1.00 0.00 H new ATOM 1358 N ASP A 92 -1.663 -2.792 -13.464 1.00 0.00 N ATOM 1359 CA ASP A 92 -2.699 -1.771 -13.505 1.00 0.00 C ATOM 1360 C ASP A 92 -2.288 -0.636 -12.568 1.00 0.00 C ATOM 1361 O ASP A 92 -1.424 -0.851 -11.721 1.00 0.00 O ATOM 1362 CB ASP A 92 -4.000 -2.469 -13.098 1.00 0.00 C ATOM 1363 CG ASP A 92 -5.260 -1.626 -13.108 1.00 0.00 C ATOM 1364 OD1 ASP A 92 -5.219 -0.498 -13.644 1.00 0.00 O ATOM 1365 OD2 ASP A 92 -6.258 -2.174 -12.587 1.00 0.00 O ATOM 0 H ASP A 92 -1.165 -2.829 -12.575 1.00 0.00 H new ATOM 0 HA ASP A 92 -2.841 -1.322 -14.488 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -4.153 -3.317 -13.765 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -3.869 -2.873 -12.094 1.00 0.00 H new ATOM 1370 N ASP A 93 -2.871 0.556 -12.721 1.00 0.00 N ATOM 1371 CA ASP A 93 -2.510 1.750 -11.960 1.00 0.00 C ATOM 1372 C ASP A 93 -3.736 2.658 -11.822 1.00 0.00 C ATOM 1373 O ASP A 93 -4.736 2.457 -12.506 1.00 0.00 O ATOM 1374 CB ASP A 93 -1.407 2.531 -12.695 1.00 0.00 C ATOM 1375 CG ASP A 93 -0.139 1.725 -12.948 1.00 0.00 C ATOM 1376 OD1 ASP A 93 0.481 1.302 -11.950 1.00 0.00 O ATOM 1377 OD2 ASP A 93 0.206 1.558 -14.138 1.00 0.00 O ATOM 0 H ASP A 93 -3.622 0.719 -13.392 1.00 0.00 H new ATOM 0 HA ASP A 93 -2.152 1.443 -10.977 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -1.799 2.881 -13.650 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -1.152 3.416 -12.111 1.00 0.00 H new ATOM 1382 N LEU A 94 -3.641 3.679 -10.967 1.00 0.00 N ATOM 1383 CA LEU A 94 -4.660 4.690 -10.717 1.00 0.00 C ATOM 1384 C LEU A 94 -3.952 5.892 -10.086 1.00 0.00 C ATOM 1385 O LEU A 94 -2.855 5.745 -9.554 1.00 0.00 O ATOM 1386 CB LEU A 94 -5.762 4.087 -9.826 1.00 0.00 C ATOM 1387 CG LEU A 94 -6.849 5.066 -9.341 1.00 0.00 C ATOM 1388 CD1 LEU A 94 -8.193 4.342 -9.237 1.00 0.00 C ATOM 1389 CD2 LEU A 94 -6.530 5.641 -7.955 1.00 0.00 C ATOM 0 H LEU A 94 -2.804 3.827 -10.402 1.00 0.00 H new ATOM 0 HA LEU A 94 -5.156 5.024 -11.628 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -6.247 3.281 -10.377 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -5.290 3.637 -8.952 1.00 0.00 H new ATOM 0 HG LEU A 94 -6.888 5.878 -10.068 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -8.957 5.040 -8.894 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -8.472 3.951 -10.215 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -8.109 3.519 -8.528 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -7.323 6.326 -7.654 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -6.458 4.829 -7.232 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -5.582 6.178 -7.993 1.00 0.00 H new ATOM 1401 N VAL A 95 -4.541 7.086 -10.158 1.00 0.00 N ATOM 1402 CA VAL A 95 -4.007 8.306 -9.574 1.00 0.00 C ATOM 1403 C VAL A 95 -5.127 8.967 -8.775 1.00 0.00 C ATOM 1404 O VAL A 95 -6.303 8.726 -9.049 1.00 0.00 O ATOM 1405 CB VAL A 95 -3.488 9.246 -10.674 1.00 0.00 C ATOM 1406 CG1 VAL A 95 -2.266 8.624 -11.349 1.00 0.00 C ATOM 1407 CG2 VAL A 95 -4.545 9.582 -11.736 1.00 0.00 C ATOM 0 H VAL A 95 -5.429 7.230 -10.639 1.00 0.00 H new ATOM 0 HA VAL A 95 -3.165 8.079 -8.919 1.00 0.00 H new ATOM 0 HB VAL A 95 -3.223 10.183 -10.185 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -1.901 9.293 -12.128 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -1.482 8.467 -10.608 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -2.543 7.668 -11.792 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -4.112 10.249 -12.482 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -4.879 8.664 -12.220 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -5.395 10.072 -11.261 1.00 0.00 H new ATOM 1417 N GLY A 96 -4.769 9.808 -7.806 1.00 0.00 N ATOM 1418 CA GLY A 96 -5.741 10.488 -6.964 1.00 0.00 C ATOM 1419 C GLY A 96 -6.280 9.538 -5.894 1.00 0.00 C ATOM 1420 O GLY A 96 -5.683 8.496 -5.635 1.00 0.00 O ATOM 0 H GLY A 96 -3.799 10.034 -7.586 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -5.278 11.354 -6.490 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -6.563 10.861 -7.575 1.00 0.00 H new ATOM 1424 N ALA A 97 -7.393 9.906 -5.250 1.00 0.00 N ATOM 1425 CA ALA A 97 -7.998 9.116 -4.183 1.00 0.00 C ATOM 1426 C ALA A 97 -8.882 8.007 -4.764 1.00 0.00 C ATOM 1427 O ALA A 97 -8.477 6.849 -4.813 1.00 0.00 O ATOM 1428 CB ALA A 97 -8.787 10.044 -3.249 1.00 0.00 C ATOM 0 H ALA A 97 -7.899 10.767 -5.459 1.00 0.00 H new ATOM 0 HA ALA A 97 -7.216 8.627 -3.602 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -9.240 9.457 -2.451 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -8.113 10.784 -2.817 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -9.568 10.551 -3.815 1.00 0.00 H new ATOM 1434 N SER A 98 -10.103 8.375 -5.165 1.00 0.00 N ATOM 1435 CA SER A 98 -11.124 7.522 -5.767 1.00 0.00 C ATOM 1436 C SER A 98 -11.152 6.099 -5.193 1.00 0.00 C ATOM 1437 O SER A 98 -11.046 5.133 -5.942 1.00 0.00 O ATOM 1438 CB SER A 98 -10.900 7.515 -7.282 1.00 0.00 C ATOM 1439 OG SER A 98 -10.859 8.850 -7.759 1.00 0.00 O ATOM 0 H SER A 98 -10.422 9.339 -5.070 1.00 0.00 H new ATOM 0 HA SER A 98 -12.104 7.934 -5.527 1.00 0.00 H new ATOM 0 HB2 SER A 98 -9.968 7.003 -7.520 1.00 0.00 H new ATOM 0 HB3 SER A 98 -11.701 6.965 -7.776 1.00 0.00 H new ATOM 0 HG SER A 98 -10.714 8.847 -8.728 1.00 0.00 H new ATOM 1445 N GLN A 99 -11.347 5.978 -3.873 1.00 0.00 N ATOM 1446 CA GLN A 99 -11.416 4.710 -3.144 1.00 0.00 C ATOM 1447 C GLN A 99 -12.330 3.695 -3.847 1.00 0.00 C ATOM 1448 O GLN A 99 -12.010 2.512 -3.935 1.00 0.00 O ATOM 1449 CB GLN A 99 -11.934 4.987 -1.722 1.00 0.00 C ATOM 1450 CG GLN A 99 -10.875 5.657 -0.831 1.00 0.00 C ATOM 1451 CD GLN A 99 -10.024 4.636 -0.081 1.00 0.00 C ATOM 1452 OE1 GLN A 99 -8.856 4.432 -0.392 1.00 0.00 O ATOM 1453 NE2 GLN A 99 -10.599 4.020 0.949 1.00 0.00 N ATOM 0 H GLN A 99 -11.465 6.789 -3.265 1.00 0.00 H new ATOM 0 HA GLN A 99 -10.417 4.275 -3.109 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -12.815 5.626 -1.778 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -12.249 4.049 -1.264 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -10.229 6.284 -1.446 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -11.368 6.313 -0.114 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -11.573 4.214 1.180 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -10.065 3.354 1.508 1.00 0.00 H new ATOM 1462 N ASP A 100 -13.480 4.160 -4.336 1.00 0.00 N ATOM 1463 CA ASP A 100 -14.447 3.343 -5.057 1.00 0.00 C ATOM 1464 C ASP A 100 -13.795 2.703 -6.288 1.00 0.00 C ATOM 1465 O ASP A 100 -13.830 1.484 -6.457 1.00 0.00 O ATOM 1466 CB ASP A 100 -15.664 4.205 -5.444 1.00 0.00 C ATOM 1467 CG ASP A 100 -15.349 5.359 -6.400 1.00 0.00 C ATOM 1468 OD1 ASP A 100 -14.260 5.959 -6.247 1.00 0.00 O ATOM 1469 OD2 ASP A 100 -16.201 5.614 -7.277 1.00 0.00 O ATOM 0 H ASP A 100 -13.768 5.134 -4.238 1.00 0.00 H new ATOM 0 HA ASP A 100 -14.791 2.534 -4.413 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -16.415 3.564 -5.905 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -16.107 4.613 -4.536 1.00 0.00 H new ATOM 1474 N LYS A 101 -13.179 3.526 -7.140 1.00 0.00 N ATOM 1475 CA LYS A 101 -12.519 3.065 -8.348 1.00 0.00 C ATOM 1476 C LYS A 101 -11.343 2.166 -7.961 1.00 0.00 C ATOM 1477 O LYS A 101 -11.121 1.140 -8.593 1.00 0.00 O ATOM 1478 CB LYS A 101 -12.075 4.270 -9.185 1.00 0.00 C ATOM 1479 CG LYS A 101 -11.589 3.833 -10.573 1.00 0.00 C ATOM 1480 CD LYS A 101 -11.189 5.057 -11.408 1.00 0.00 C ATOM 1481 CE LYS A 101 -10.537 4.649 -12.735 1.00 0.00 C ATOM 1482 NZ LYS A 101 -11.449 3.856 -13.578 1.00 0.00 N ATOM 0 H LYS A 101 -13.128 4.536 -7.004 1.00 0.00 H new ATOM 0 HA LYS A 101 -13.204 2.479 -8.960 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -12.905 4.968 -9.291 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -11.276 4.801 -8.668 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -10.738 3.159 -10.472 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -12.376 3.278 -11.083 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -12.071 5.665 -11.608 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -10.497 5.676 -10.838 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -10.228 5.543 -13.277 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -9.635 4.071 -12.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -10.994 3.659 -14.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -11.671 2.959 -13.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -12.327 4.390 -13.737 1.00 0.00 H new ATOM 1496 N LEU A 102 -10.600 2.548 -6.922 1.00 0.00 N ATOM 1497 CA LEU A 102 -9.484 1.782 -6.387 1.00 0.00 C ATOM 1498 C LEU A 102 -9.963 0.351 -6.114 1.00 0.00 C ATOM 1499 O LEU A 102 -9.388 -0.608 -6.629 1.00 0.00 O ATOM 1500 CB LEU A 102 -8.977 2.481 -5.114 1.00 0.00 C ATOM 1501 CG LEU A 102 -7.502 2.251 -4.761 1.00 0.00 C ATOM 1502 CD1 LEU A 102 -7.242 2.982 -3.442 1.00 0.00 C ATOM 1503 CD2 LEU A 102 -7.129 0.776 -4.599 1.00 0.00 C ATOM 0 H LEU A 102 -10.765 3.420 -6.420 1.00 0.00 H new ATOM 0 HA LEU A 102 -8.655 1.729 -7.093 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -9.141 3.553 -5.223 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -9.587 2.149 -4.274 1.00 0.00 H new ATOM 0 HG LEU A 102 -6.892 2.626 -5.583 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -6.201 2.846 -3.150 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -7.448 4.045 -3.568 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -7.892 2.576 -2.667 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -6.071 0.693 -4.350 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -7.725 0.336 -3.800 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -7.325 0.247 -5.532 1.00 0.00 H new ATOM 1515 N LYS A 103 -11.047 0.212 -5.341 1.00 0.00 N ATOM 1516 CA LYS A 103 -11.619 -1.084 -5.022 1.00 0.00 C ATOM 1517 C LYS A 103 -12.037 -1.803 -6.304 1.00 0.00 C ATOM 1518 O LYS A 103 -11.692 -2.967 -6.498 1.00 0.00 O ATOM 1519 CB LYS A 103 -12.827 -0.907 -4.095 1.00 0.00 C ATOM 1520 CG LYS A 103 -13.079 -2.205 -3.324 1.00 0.00 C ATOM 1521 CD LYS A 103 -14.377 -2.095 -2.520 1.00 0.00 C ATOM 1522 CE LYS A 103 -14.649 -3.354 -1.685 1.00 0.00 C ATOM 1523 NZ LYS A 103 -14.729 -4.577 -2.508 1.00 0.00 N ATOM 0 H LYS A 103 -11.545 0.998 -4.924 1.00 0.00 H new ATOM 0 HA LYS A 103 -10.869 -1.688 -4.512 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -12.647 -0.088 -3.399 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -13.709 -0.641 -4.678 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -13.142 -3.043 -4.018 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -12.243 -2.408 -2.654 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -14.322 -1.229 -1.861 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -15.211 -1.925 -3.201 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -13.859 -3.471 -0.944 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -15.583 -3.227 -1.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -15.173 -5.338 -1.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -15.298 -4.387 -3.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -13.772 -4.868 -2.791 1.00 0.00 H new ATOM 1537 N ALA A 104 -12.788 -1.111 -7.165 1.00 0.00 N ATOM 1538 CA ALA A 104 -13.266 -1.669 -8.426 1.00 0.00 C ATOM 1539 C ALA A 104 -12.106 -2.271 -9.225 1.00 0.00 C ATOM 1540 O ALA A 104 -12.223 -3.381 -9.739 1.00 0.00 O ATOM 1541 CB ALA A 104 -13.991 -0.593 -9.238 1.00 0.00 C ATOM 0 H ALA A 104 -13.080 -0.147 -7.004 1.00 0.00 H new ATOM 0 HA ALA A 104 -13.973 -2.470 -8.208 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -14.343 -1.021 -10.177 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -14.841 -0.219 -8.668 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -13.305 0.228 -9.448 1.00 0.00 H new ATOM 1547 N LEU A 105 -10.985 -1.549 -9.329 1.00 0.00 N ATOM 1548 CA LEU A 105 -9.807 -2.061 -10.008 1.00 0.00 C ATOM 1549 C LEU A 105 -9.296 -3.285 -9.257 1.00 0.00 C ATOM 1550 O LEU A 105 -9.226 -4.360 -9.849 1.00 0.00 O ATOM 1551 CB LEU A 105 -8.697 -1.003 -10.093 1.00 0.00 C ATOM 1552 CG LEU A 105 -8.988 0.185 -11.022 1.00 0.00 C ATOM 1553 CD1 LEU A 105 -7.777 1.122 -10.967 1.00 0.00 C ATOM 1554 CD2 LEU A 105 -9.247 -0.234 -12.474 1.00 0.00 C ATOM 0 H LEU A 105 -10.876 -0.609 -8.949 1.00 0.00 H new ATOM 0 HA LEU A 105 -10.085 -2.329 -11.027 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -8.506 -0.620 -9.091 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -7.781 -1.489 -10.429 1.00 0.00 H new ATOM 0 HG LEU A 105 -9.899 0.674 -10.678 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -7.950 1.979 -11.617 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -7.630 1.467 -9.944 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -6.888 0.587 -11.301 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -9.446 0.651 -13.078 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -8.371 -0.751 -12.865 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -10.109 -0.900 -12.512 1.00 0.00 H new ATOM 1566 N VAL A 106 -8.955 -3.137 -7.966 1.00 0.00 N ATOM 1567 CA VAL A 106 -8.396 -4.220 -7.155 1.00 0.00 C ATOM 1568 C VAL A 106 -9.162 -5.507 -7.380 1.00 0.00 C ATOM 1569 O VAL A 106 -8.564 -6.526 -7.705 1.00 0.00 O ATOM 1570 CB VAL A 106 -8.362 -3.847 -5.655 1.00 0.00 C ATOM 1571 CG1 VAL A 106 -9.276 -4.615 -4.687 1.00 0.00 C ATOM 1572 CG2 VAL A 106 -6.932 -4.068 -5.149 1.00 0.00 C ATOM 0 H VAL A 106 -9.061 -2.259 -7.458 1.00 0.00 H new ATOM 0 HA VAL A 106 -7.365 -4.376 -7.474 1.00 0.00 H new ATOM 0 HB VAL A 106 -8.729 -2.821 -5.643 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -9.135 -4.236 -3.675 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -10.316 -4.479 -4.983 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -9.026 -5.676 -4.715 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -6.877 -3.812 -4.091 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -6.656 -5.114 -5.285 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -6.245 -3.435 -5.711 1.00 0.00 H new ATOM 1582 N ALA A 107 -10.482 -5.421 -7.245 1.00 0.00 N ATOM 1583 CA ALA A 107 -11.397 -6.543 -7.386 1.00 0.00 C ATOM 1584 C ALA A 107 -11.089 -7.397 -8.621 1.00 0.00 C ATOM 1585 O ALA A 107 -11.169 -8.621 -8.550 1.00 0.00 O ATOM 1586 CB ALA A 107 -12.836 -6.026 -7.430 1.00 0.00 C ATOM 0 H ALA A 107 -10.955 -4.544 -7.029 1.00 0.00 H new ATOM 0 HA ALA A 107 -11.267 -7.192 -6.520 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -13.522 -6.867 -7.536 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -13.058 -5.490 -6.507 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -12.955 -5.352 -8.279 1.00 0.00 H new ATOM 1592 N LYS A 108 -10.705 -6.779 -9.743 1.00 0.00 N ATOM 1593 CA LYS A 108 -10.420 -7.503 -10.978 1.00 0.00 C ATOM 1594 C LYS A 108 -9.213 -8.436 -10.813 1.00 0.00 C ATOM 1595 O LYS A 108 -9.190 -9.532 -11.364 1.00 0.00 O ATOM 1596 CB LYS A 108 -10.241 -6.486 -12.121 1.00 0.00 C ATOM 1597 CG LYS A 108 -8.809 -6.125 -12.511 1.00 0.00 C ATOM 1598 CD LYS A 108 -8.717 -4.912 -13.446 1.00 0.00 C ATOM 1599 CE LYS A 108 -9.506 -5.101 -14.746 1.00 0.00 C ATOM 1600 NZ LYS A 108 -9.283 -3.975 -15.670 1.00 0.00 N ATOM 0 H LYS A 108 -10.585 -5.769 -9.817 1.00 0.00 H new ATOM 0 HA LYS A 108 -11.259 -8.153 -11.229 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -10.744 -6.878 -13.005 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -10.757 -5.568 -11.841 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -8.235 -5.921 -11.607 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -8.345 -6.984 -12.996 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -9.089 -4.029 -12.926 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -7.671 -4.723 -13.686 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -9.206 -6.033 -15.225 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -10.569 -5.186 -14.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -9.829 -4.128 -16.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -9.592 -3.090 -15.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -8.271 -3.911 -15.902 1.00 0.00 H new ATOM 1614 N HIS A 109 -8.204 -7.980 -10.067 1.00 0.00 N ATOM 1615 CA HIS A 109 -6.968 -8.722 -9.824 1.00 0.00 C ATOM 1616 C HIS A 109 -7.155 -9.694 -8.654 1.00 0.00 C ATOM 1617 O HIS A 109 -6.784 -10.867 -8.724 1.00 0.00 O ATOM 1618 CB HIS A 109 -5.826 -7.753 -9.483 1.00 0.00 C ATOM 1619 CG HIS A 109 -5.578 -6.683 -10.508 1.00 0.00 C ATOM 1620 ND1 HIS A 109 -4.715 -6.875 -11.586 1.00 0.00 N ATOM 1621 CD2 HIS A 109 -6.134 -5.438 -10.605 1.00 0.00 C ATOM 1622 CE1 HIS A 109 -4.822 -5.753 -12.304 1.00 0.00 C ATOM 1623 NE2 HIS A 109 -5.660 -4.857 -11.758 1.00 0.00 N ATOM 0 H HIS A 109 -8.225 -7.069 -9.608 1.00 0.00 H new ATOM 0 HA HIS A 109 -6.721 -9.278 -10.728 1.00 0.00 H new ATOM 0 HB2 HIS A 109 -6.046 -7.277 -8.528 1.00 0.00 H new ATOM 0 HB3 HIS A 109 -4.909 -8.327 -9.349 1.00 0.00 H new ATOM 0 HD2 HIS A 109 -6.822 -4.991 -9.903 1.00 0.00 H new ATOM 0 HE1 HIS A 109 -4.289 -5.584 -13.228 1.00 0.00 H new ATOM 0 HE2 HIS A 109 -5.897 -3.935 -12.123 1.00 0.00 H new ATOM 1631 N ALA A 110 -7.698 -9.152 -7.561 1.00 0.00 N ATOM 1632 CA ALA A 110 -7.944 -9.798 -6.284 1.00 0.00 C ATOM 1633 C ALA A 110 -8.950 -10.941 -6.407 1.00 0.00 C ATOM 1634 O ALA A 110 -8.787 -11.969 -5.755 1.00 0.00 O ATOM 1635 CB ALA A 110 -8.492 -8.762 -5.299 1.00 0.00 C ATOM 0 H ALA A 110 -7.997 -8.177 -7.553 1.00 0.00 H new ATOM 0 HA ALA A 110 -7.000 -10.214 -5.931 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -8.680 -9.238 -4.337 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -7.764 -7.961 -5.171 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -9.423 -8.348 -5.687 1.00 0.00 H new ATOM 1641 N ALA A 111 -9.997 -10.737 -7.214 1.00 0.00 N ATOM 1642 CA ALA A 111 -11.119 -11.647 -7.398 1.00 0.00 C ATOM 1643 C ALA A 111 -11.894 -11.769 -6.081 1.00 0.00 C ATOM 1644 O ALA A 111 -12.193 -12.874 -5.629 1.00 0.00 O ATOM 1645 CB ALA A 111 -10.644 -13.002 -7.943 1.00 0.00 C ATOM 0 H ALA A 111 -10.083 -9.893 -7.780 1.00 0.00 H new ATOM 0 HA ALA A 111 -11.801 -11.246 -8.148 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -11.501 -13.663 -8.071 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -10.152 -12.855 -8.904 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -9.942 -13.451 -7.241 1.00 0.00 H new