USER MOD reduce.3.24.130724 H: found=0, std=0, add=882, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 884 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: B 9 GLN : amide:sc= -6.52! C(o=-4.6!,f=-12!) USER MOD Set 1.2: B 11 THR OG1 : rot 148:sc= 1.92 USER MOD Set 2.1: A 71 ASN : amide:sc= -4.3! C(o=-6.6!,f=-8.6!) USER MOD Set 2.2: A 90 SER OG : rot -29:sc= -2.27 USER MOD Set 3.1: A 35 SER OG : rot 130:sc= 0 USER MOD Set 3.2: A 38 ASN : amide:sc= 0 X(o=0,f=0.05) USER MOD Set 4.1: A 31 LYS NZ :NH3+ 142:sc= 0.181 (180deg=0) USER MOD Set 4.2: A 33 ASN :FLIP amide:sc= -1.14! F(o=-2.6,f=-0.96!) USER MOD Set 5.1: A 29 SER OG : rot 117:sc= 1.16 USER MOD Set 5.2: A 48 SER OG : rot 180:sc= 0.934 USER MOD Single : A 8 THR OG1 : rot -170:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 ASN :FLIP amide:sc= -1.35! F(o=-3.2,f=-1.4!) USER MOD Single : A 21 SER OG : rot -25:sc= -1.38 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 161:sc= 0.268 (180deg=0.0357) USER MOD Single : A 39 HIS : no HE2:sc= 0.115 K(o=0.12,f=-0.95) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= 0.595 K(o=0.6,f=-0.9) USER MOD Single : A 56 SER OG : rot -80:sc= -4.44! USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -2.36! C(o=-2.4!,f=-2.4!) USER MOD Single : A 66 GLN :FLIP amide:sc= -1.28 F(o=-2.9!,f=-1.3) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ -129:sc= 0.441 (180deg=-0.0683) USER MOD Single : A 80 ASN : amide:sc= -4.21! C(o=-4.2!,f=-13!) USER MOD Single : A 81 GLN :FLIP amide:sc= -0.467 F(o=-5!,f=-0.47) USER MOD Single : A 84 MET CE :methyl 179:sc= -2.81 (180deg=-2.82) USER MOD Single : A 86 THR OG1 : rot 78:sc= 0.303 USER MOD Single : A 91 MET CE :methyl -157:sc= -8.45! (180deg=-11.6!) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 ASN :FLIP amide:sc= -1.04 F(o=-2.2!,f=-1) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 MET CE :methyl -165:sc= -4.96 (180deg=-5.97!) USER MOD Single : A 102 GLN : amide:sc= -1.32 K(o=-1.3,f=-2.4!) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : B 6 GLN : amide:sc= -1.26 X(o=-1.3,f=-1.2) USER MOD Single : B 7 HIS : no HD1:sc= -0.282 X(o=-0.28,f=0.057) USER MOD Single : B 8 SER OG : rot 43:sc= 0.389 USER MOD Single : B 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 7 -5.374 -12.778 -6.588 1.00 0.00 N ATOM 2 CA GLY A 7 -5.235 -11.831 -7.681 1.00 0.00 C ATOM 3 C GLY A 7 -6.100 -10.601 -7.496 1.00 0.00 C ATOM 4 O GLY A 7 -7.020 -10.356 -8.277 1.00 0.00 O ATOM 0 HA2 GLY A 7 -4.191 -11.528 -7.765 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -5.501 -12.321 -8.618 1.00 0.00 H new ATOM 8 N THR A 8 -5.805 -9.821 -6.460 1.00 0.00 N ATOM 9 CA THR A 8 -6.561 -8.608 -6.177 1.00 0.00 C ATOM 10 C THR A 8 -5.625 -7.440 -5.878 1.00 0.00 C ATOM 11 O THR A 8 -5.876 -6.646 -4.973 1.00 0.00 O ATOM 12 CB THR A 8 -7.508 -8.833 -4.998 1.00 0.00 C ATOM 13 OG1 THR A 8 -6.851 -9.526 -3.952 1.00 0.00 O ATOM 14 CG2 THR A 8 -8.745 -9.625 -5.367 1.00 0.00 C ATOM 0 H THR A 8 -5.047 -10.008 -5.803 1.00 0.00 H new ATOM 0 HA THR A 8 -7.148 -8.362 -7.062 1.00 0.00 H new ATOM 0 HB THR A 8 -7.815 -7.837 -4.680 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.508 -9.799 -3.278 1.00 0.00 H new ATOM 0 HG21 THR A 8 -9.374 -9.749 -4.486 1.00 0.00 H new ATOM 0 HG22 THR A 8 -9.302 -9.092 -6.138 1.00 0.00 H new ATOM 0 HG23 THR A 8 -8.451 -10.605 -5.743 1.00 0.00 H new ATOM 22 N ARG A 9 -4.546 -7.341 -6.647 1.00 0.00 N ATOM 23 CA ARG A 9 -3.573 -6.270 -6.466 1.00 0.00 C ATOM 24 C ARG A 9 -3.652 -5.270 -7.615 1.00 0.00 C ATOM 25 O ARG A 9 -3.733 -5.657 -8.781 1.00 0.00 O ATOM 26 CB ARG A 9 -2.158 -6.845 -6.371 1.00 0.00 C ATOM 27 CG ARG A 9 -1.912 -7.649 -5.105 1.00 0.00 C ATOM 28 CD ARG A 9 -0.782 -8.649 -5.292 1.00 0.00 C ATOM 29 NE ARG A 9 -1.247 -9.889 -5.913 1.00 0.00 N ATOM 30 CZ ARG A 9 -1.889 -10.851 -5.255 1.00 0.00 C ATOM 31 NH1 ARG A 9 -2.146 -10.723 -3.960 1.00 0.00 N ATOM 32 NH2 ARG A 9 -2.274 -11.947 -5.896 1.00 0.00 N ATOM 0 H ARG A 9 -4.323 -7.990 -7.402 1.00 0.00 H new ATOM 0 HA ARG A 9 -3.807 -5.752 -5.536 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -1.974 -7.481 -7.237 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -1.439 -6.027 -6.418 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -1.670 -6.973 -4.285 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -2.824 -8.177 -4.825 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -0.002 -8.204 -5.910 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -0.333 -8.874 -4.325 1.00 0.00 H new ATOM 0 HE ARG A 9 -1.069 -10.024 -6.908 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -1.851 -9.883 -3.462 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -2.639 -11.465 -3.462 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -2.078 -12.051 -6.892 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -2.766 -12.685 -5.393 1.00 0.00 H new ATOM 46 N GLU A 10 -3.631 -3.983 -7.281 1.00 0.00 N ATOM 47 CA GLU A 10 -3.705 -2.934 -8.291 1.00 0.00 C ATOM 48 C GLU A 10 -2.516 -1.982 -8.187 1.00 0.00 C ATOM 49 O GLU A 10 -2.283 -1.377 -7.141 1.00 0.00 O ATOM 50 CB GLU A 10 -5.012 -2.151 -8.151 1.00 0.00 C ATOM 51 CG GLU A 10 -5.240 -1.593 -6.754 1.00 0.00 C ATOM 52 CD GLU A 10 -6.431 -0.657 -6.687 1.00 0.00 C ATOM 53 OE1 GLU A 10 -7.232 -0.642 -7.646 1.00 0.00 O ATOM 54 OE2 GLU A 10 -6.564 0.062 -5.673 1.00 0.00 O ATOM 0 H GLU A 10 -3.564 -3.643 -6.322 1.00 0.00 H new ATOM 0 HA GLU A 10 -3.677 -3.412 -9.270 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -5.012 -1.329 -8.866 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -5.846 -2.802 -8.414 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -5.391 -2.418 -6.058 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -4.346 -1.061 -6.429 1.00 0.00 H new ATOM 61 N PHE A 11 -1.773 -1.853 -9.282 1.00 0.00 N ATOM 62 CA PHE A 11 -0.614 -0.969 -9.317 1.00 0.00 C ATOM 63 C PHE A 11 -1.055 0.482 -9.470 1.00 0.00 C ATOM 64 O PHE A 11 -1.995 0.778 -10.208 1.00 0.00 O ATOM 65 CB PHE A 11 0.317 -1.356 -10.468 1.00 0.00 C ATOM 66 CG PHE A 11 1.074 -2.629 -10.226 1.00 0.00 C ATOM 67 CD1 PHE A 11 1.840 -2.790 -9.082 1.00 0.00 C ATOM 68 CD2 PHE A 11 1.021 -3.667 -11.143 1.00 0.00 C ATOM 69 CE1 PHE A 11 2.539 -3.960 -8.856 1.00 0.00 C ATOM 70 CE2 PHE A 11 1.718 -4.841 -10.923 1.00 0.00 C ATOM 71 CZ PHE A 11 2.478 -4.987 -9.779 1.00 0.00 C ATOM 0 H PHE A 11 -1.953 -2.349 -10.155 1.00 0.00 H new ATOM 0 HA PHE A 11 -0.074 -1.074 -8.376 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -0.271 -1.460 -11.380 1.00 0.00 H new ATOM 0 HB3 PHE A 11 1.028 -0.547 -10.637 1.00 0.00 H new ATOM 0 HD1 PHE A 11 1.891 -1.990 -8.358 1.00 0.00 H new ATOM 0 HD2 PHE A 11 0.429 -3.558 -12.039 1.00 0.00 H new ATOM 0 HE1 PHE A 11 3.132 -4.072 -7.960 1.00 0.00 H new ATOM 0 HE2 PHE A 11 1.668 -5.643 -11.645 1.00 0.00 H new ATOM 0 HZ PHE A 11 3.024 -5.903 -9.606 1.00 0.00 H new ATOM 81 N LEU A 12 -0.379 1.384 -8.765 1.00 0.00 N ATOM 82 CA LEU A 12 -0.719 2.803 -8.828 1.00 0.00 C ATOM 83 C LEU A 12 0.520 3.675 -8.668 1.00 0.00 C ATOM 84 O LEU A 12 1.346 3.450 -7.785 1.00 0.00 O ATOM 85 CB LEU A 12 -1.759 3.170 -7.755 1.00 0.00 C ATOM 86 CG LEU A 12 -2.170 2.039 -6.804 1.00 0.00 C ATOM 87 CD1 LEU A 12 -1.618 2.284 -5.406 1.00 0.00 C ATOM 88 CD2 LEU A 12 -3.684 1.899 -6.761 1.00 0.00 C ATOM 0 H LEU A 12 0.402 1.161 -8.148 1.00 0.00 H new ATOM 0 HA LEU A 12 -1.150 2.990 -9.812 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.363 3.993 -7.160 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.654 3.540 -8.256 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.748 1.107 -7.181 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.921 1.470 -4.747 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.530 2.331 -5.448 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.007 3.226 -5.021 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -3.956 1.092 -6.081 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -4.126 2.832 -6.411 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -4.057 1.673 -7.760 1.00 0.00 H new ATOM 100 N THR A 13 0.629 4.681 -9.528 1.00 0.00 N ATOM 101 CA THR A 13 1.751 5.609 -9.491 1.00 0.00 C ATOM 102 C THR A 13 1.406 6.822 -8.634 1.00 0.00 C ATOM 103 O THR A 13 0.238 7.201 -8.528 1.00 0.00 O ATOM 104 CB THR A 13 2.110 6.056 -10.908 1.00 0.00 C ATOM 105 OG1 THR A 13 2.279 4.937 -11.761 1.00 0.00 O ATOM 106 CG2 THR A 13 3.376 6.878 -10.972 1.00 0.00 C ATOM 0 H THR A 13 -0.051 4.875 -10.263 1.00 0.00 H new ATOM 0 HA THR A 13 2.609 5.101 -9.051 1.00 0.00 H new ATOM 0 HB THR A 13 1.276 6.677 -11.234 1.00 0.00 H new ATOM 0 HG1 THR A 13 2.507 5.245 -12.663 1.00 0.00 H new ATOM 0 HG21 THR A 13 3.573 7.163 -12.006 1.00 0.00 H new ATOM 0 HG22 THR A 13 3.258 7.775 -10.365 1.00 0.00 H new ATOM 0 HG23 THR A 13 4.211 6.290 -10.592 1.00 0.00 H new ATOM 114 N PHE A 14 2.417 7.427 -8.017 1.00 0.00 N ATOM 115 CA PHE A 14 2.193 8.589 -7.166 1.00 0.00 C ATOM 116 C PHE A 14 3.283 9.640 -7.349 1.00 0.00 C ATOM 117 O PHE A 14 4.304 9.392 -7.989 1.00 0.00 O ATOM 118 CB PHE A 14 2.128 8.166 -5.696 1.00 0.00 C ATOM 119 CG PHE A 14 0.892 7.383 -5.338 1.00 0.00 C ATOM 120 CD1 PHE A 14 -0.331 7.675 -5.922 1.00 0.00 C ATOM 121 CD2 PHE A 14 0.959 6.352 -4.413 1.00 0.00 C ATOM 122 CE1 PHE A 14 -1.462 6.956 -5.588 1.00 0.00 C ATOM 123 CE2 PHE A 14 -0.170 5.630 -4.078 1.00 0.00 C ATOM 124 CZ PHE A 14 -1.382 5.932 -4.665 1.00 0.00 C ATOM 0 H PHE A 14 3.391 7.134 -8.090 1.00 0.00 H new ATOM 0 HA PHE A 14 1.242 9.032 -7.461 1.00 0.00 H new ATOM 0 HB2 PHE A 14 3.007 7.565 -5.462 1.00 0.00 H new ATOM 0 HB3 PHE A 14 2.175 9.057 -5.070 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -0.400 8.473 -6.646 1.00 0.00 H new ATOM 0 HD2 PHE A 14 1.904 6.111 -3.949 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -2.409 7.195 -6.049 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -0.104 4.829 -3.357 1.00 0.00 H new ATOM 0 HZ PHE A 14 -2.266 5.369 -4.403 1.00 0.00 H new ATOM 134 N GLU A 15 3.052 10.810 -6.764 1.00 0.00 N ATOM 135 CA GLU A 15 3.996 11.922 -6.825 1.00 0.00 C ATOM 136 C GLU A 15 3.979 12.664 -5.494 1.00 0.00 C ATOM 137 O GLU A 15 3.024 13.376 -5.186 1.00 0.00 O ATOM 138 CB GLU A 15 3.637 12.869 -7.970 1.00 0.00 C ATOM 139 CG GLU A 15 3.404 12.160 -9.294 1.00 0.00 C ATOM 140 CD GLU A 15 1.932 11.921 -9.577 1.00 0.00 C ATOM 141 OE1 GLU A 15 1.329 11.064 -8.900 1.00 0.00 O ATOM 142 OE2 GLU A 15 1.385 12.593 -10.477 1.00 0.00 O ATOM 0 H GLU A 15 2.205 11.015 -6.234 1.00 0.00 H new ATOM 0 HA GLU A 15 4.998 11.535 -7.011 1.00 0.00 H new ATOM 0 HB2 GLU A 15 2.739 13.426 -7.702 1.00 0.00 H new ATOM 0 HB3 GLU A 15 4.439 13.597 -8.093 1.00 0.00 H new ATOM 0 HG2 GLU A 15 3.833 12.754 -10.101 1.00 0.00 H new ATOM 0 HG3 GLU A 15 3.929 11.205 -9.288 1.00 0.00 H new ATOM 149 N VAL A 16 5.018 12.463 -4.687 1.00 0.00 N ATOM 150 CA VAL A 16 5.083 13.082 -3.368 1.00 0.00 C ATOM 151 C VAL A 16 6.137 14.188 -3.271 1.00 0.00 C ATOM 152 O VAL A 16 7.336 13.914 -3.277 1.00 0.00 O ATOM 153 CB VAL A 16 5.394 12.022 -2.295 1.00 0.00 C ATOM 154 CG1 VAL A 16 5.256 12.609 -0.902 1.00 0.00 C ATOM 155 CG2 VAL A 16 4.489 10.809 -2.465 1.00 0.00 C ATOM 0 H VAL A 16 5.821 11.880 -4.922 1.00 0.00 H new ATOM 0 HA VAL A 16 4.105 13.533 -3.201 1.00 0.00 H new ATOM 0 HB VAL A 16 6.427 11.698 -2.422 1.00 0.00 H new ATOM 0 HG11 VAL A 16 5.480 11.842 -0.160 1.00 0.00 H new ATOM 0 HG12 VAL A 16 5.952 13.440 -0.787 1.00 0.00 H new ATOM 0 HG13 VAL A 16 4.237 12.967 -0.757 1.00 0.00 H new ATOM 0 HG21 VAL A 16 4.723 10.070 -1.698 1.00 0.00 H new ATOM 0 HG22 VAL A 16 3.448 11.116 -2.368 1.00 0.00 H new ATOM 0 HG23 VAL A 16 4.648 10.372 -3.451 1.00 0.00 H new ATOM 165 N PRO A 17 5.700 15.459 -3.140 1.00 0.00 N ATOM 166 CA PRO A 17 6.611 16.592 -2.996 1.00 0.00 C ATOM 167 C PRO A 17 7.064 16.740 -1.547 1.00 0.00 C ATOM 168 O PRO A 17 6.236 16.761 -0.636 1.00 0.00 O ATOM 169 CB PRO A 17 5.744 17.776 -3.413 1.00 0.00 C ATOM 170 CG PRO A 17 4.368 17.393 -2.987 1.00 0.00 C ATOM 171 CD PRO A 17 4.290 15.887 -3.088 1.00 0.00 C ATOM 0 HA PRO A 17 7.523 16.493 -3.585 1.00 0.00 H new ATOM 0 HB2 PRO A 17 6.069 18.697 -2.928 1.00 0.00 H new ATOM 0 HB3 PRO A 17 5.794 17.947 -4.488 1.00 0.00 H new ATOM 0 HG2 PRO A 17 4.172 17.724 -1.967 1.00 0.00 H new ATOM 0 HG3 PRO A 17 3.620 17.864 -3.625 1.00 0.00 H new ATOM 0 HD2 PRO A 17 3.773 15.456 -2.231 1.00 0.00 H new ATOM 0 HD3 PRO A 17 3.745 15.574 -3.979 1.00 0.00 H new ATOM 179 N LEU A 18 8.373 16.817 -1.326 1.00 0.00 N ATOM 180 CA LEU A 18 8.902 16.929 0.030 1.00 0.00 C ATOM 181 C LEU A 18 9.743 18.180 0.217 1.00 0.00 C ATOM 182 O LEU A 18 10.660 18.201 1.036 1.00 0.00 O ATOM 183 CB LEU A 18 9.746 15.708 0.345 1.00 0.00 C ATOM 184 CG LEU A 18 10.814 15.434 -0.701 1.00 0.00 C ATOM 185 CD1 LEU A 18 12.131 15.068 -0.039 1.00 0.00 C ATOM 186 CD2 LEU A 18 10.359 14.339 -1.651 1.00 0.00 C ATOM 0 H LEU A 18 9.081 16.804 -2.060 1.00 0.00 H new ATOM 0 HA LEU A 18 8.052 16.995 0.710 1.00 0.00 H new ATOM 0 HB2 LEU A 18 10.223 15.844 1.315 1.00 0.00 H new ATOM 0 HB3 LEU A 18 9.096 14.837 0.429 1.00 0.00 H new ATOM 0 HG LEU A 18 10.971 16.343 -1.281 1.00 0.00 H new ATOM 0 HD11 LEU A 18 12.882 14.876 -0.805 1.00 0.00 H new ATOM 0 HD12 LEU A 18 12.461 15.891 0.594 1.00 0.00 H new ATOM 0 HD13 LEU A 18 11.996 14.174 0.570 1.00 0.00 H new ATOM 0 HD21 LEU A 18 11.136 14.156 -2.393 1.00 0.00 H new ATOM 0 HD22 LEU A 18 10.171 13.424 -1.089 1.00 0.00 H new ATOM 0 HD23 LEU A 18 9.443 14.651 -2.153 1.00 0.00 H new ATOM 198 N ASN A 19 9.420 19.220 -0.533 1.00 0.00 N ATOM 199 CA ASN A 19 10.138 20.490 -0.441 1.00 0.00 C ATOM 200 C ASN A 19 10.450 20.840 1.015 1.00 0.00 C ATOM 201 O ASN A 19 11.468 21.464 1.315 1.00 0.00 O ATOM 202 CB ASN A 19 9.311 21.603 -1.081 1.00 0.00 C ATOM 203 CG ASN A 19 8.177 22.090 -0.192 1.00 0.00 C ATOM 204 OD1 ASN A 19 7.324 21.170 0.251 1.00 0.00 O flip ATOM 205 ND2 ASN A 19 8.070 23.282 0.096 1.00 0.00 N flip ATOM 0 H ASN A 19 8.663 19.214 -1.216 1.00 0.00 H new ATOM 0 HA ASN A 19 11.082 20.389 -0.976 1.00 0.00 H new ATOM 0 HB2 ASN A 19 9.965 22.442 -1.319 1.00 0.00 H new ATOM 0 HB3 ASN A 19 8.897 21.244 -2.024 1.00 0.00 H new ATOM 0 HD21 ASN A 19 8.745 23.956 -0.264 1.00 0.00 H new ATOM 0 HD22 ASN A 19 7.306 23.595 0.695 1.00 0.00 H new ATOM 212 N ASP A 20 9.563 20.419 1.908 1.00 0.00 N ATOM 213 CA ASP A 20 9.726 20.665 3.335 1.00 0.00 C ATOM 214 C ASP A 20 10.005 19.359 4.065 1.00 0.00 C ATOM 215 O ASP A 20 10.741 19.327 5.050 1.00 0.00 O ATOM 216 CB ASP A 20 8.473 21.320 3.914 1.00 0.00 C ATOM 217 CG ASP A 20 8.147 22.642 3.244 1.00 0.00 C ATOM 218 OD1 ASP A 20 8.813 23.648 3.562 1.00 0.00 O ATOM 219 OD2 ASP A 20 7.226 22.667 2.402 1.00 0.00 O ATOM 0 H ASP A 20 8.718 19.902 1.666 1.00 0.00 H new ATOM 0 HA ASP A 20 10.571 21.340 3.471 1.00 0.00 H new ATOM 0 HB2 ASP A 20 7.627 20.641 3.802 1.00 0.00 H new ATOM 0 HB3 ASP A 20 8.612 21.482 4.983 1.00 0.00 H new ATOM 224 N SER A 21 9.407 18.281 3.566 1.00 0.00 N ATOM 225 CA SER A 21 9.585 16.966 4.159 1.00 0.00 C ATOM 226 C SER A 21 10.996 16.439 3.914 1.00 0.00 C ATOM 227 O SER A 21 11.384 15.414 4.474 1.00 0.00 O ATOM 228 CB SER A 21 8.555 15.988 3.592 1.00 0.00 C ATOM 229 OG SER A 21 8.786 14.671 4.065 1.00 0.00 O ATOM 0 H SER A 21 8.794 18.296 2.751 1.00 0.00 H new ATOM 0 HA SER A 21 9.438 17.058 5.235 1.00 0.00 H new ATOM 0 HB2 SER A 21 7.552 16.308 3.874 1.00 0.00 H new ATOM 0 HB3 SER A 21 8.599 15.999 2.503 1.00 0.00 H new ATOM 0 HG SER A 21 9.730 14.572 4.311 1.00 0.00 H new ATOM 235 N GLY A 22 11.766 17.142 3.077 1.00 0.00 N ATOM 236 CA GLY A 22 13.127 16.720 2.786 1.00 0.00 C ATOM 237 C GLY A 22 13.894 16.314 4.033 1.00 0.00 C ATOM 238 O GLY A 22 14.800 15.483 3.969 1.00 0.00 O ATOM 0 H GLY A 22 11.470 17.993 2.599 1.00 0.00 H new ATOM 0 HA2 GLY A 22 13.102 15.881 2.090 1.00 0.00 H new ATOM 0 HA3 GLY A 22 13.656 17.532 2.287 1.00 0.00 H new ATOM 242 N SER A 23 13.525 16.897 5.170 1.00 0.00 N ATOM 243 CA SER A 23 14.180 16.588 6.436 1.00 0.00 C ATOM 244 C SER A 23 13.548 15.359 7.086 1.00 0.00 C ATOM 245 O SER A 23 14.228 14.576 7.749 1.00 0.00 O ATOM 246 CB SER A 23 14.094 17.785 7.384 1.00 0.00 C ATOM 247 OG SER A 23 15.249 18.600 7.284 1.00 0.00 O ATOM 0 H SER A 23 12.776 17.586 5.240 1.00 0.00 H new ATOM 0 HA SER A 23 15.229 16.371 6.233 1.00 0.00 H new ATOM 0 HB2 SER A 23 13.208 18.375 7.150 1.00 0.00 H new ATOM 0 HB3 SER A 23 13.981 17.433 8.409 1.00 0.00 H new ATOM 0 HG SER A 23 15.168 19.359 7.899 1.00 0.00 H new ATOM 253 N ALA A 24 12.243 15.197 6.887 1.00 0.00 N ATOM 254 CA ALA A 24 11.517 14.063 7.450 1.00 0.00 C ATOM 255 C ALA A 24 11.546 12.859 6.510 1.00 0.00 C ATOM 256 O ALA A 24 10.854 11.868 6.744 1.00 0.00 O ATOM 257 CB ALA A 24 10.075 14.454 7.749 1.00 0.00 C ATOM 0 H ALA A 24 11.667 15.837 6.340 1.00 0.00 H new ATOM 0 HA ALA A 24 12.013 13.780 8.378 1.00 0.00 H new ATOM 0 HB1 ALA A 24 9.546 13.599 8.168 1.00 0.00 H new ATOM 0 HB2 ALA A 24 10.062 15.276 8.465 1.00 0.00 H new ATOM 0 HB3 ALA A 24 9.585 14.768 6.828 1.00 0.00 H new ATOM 263 N GLY A 25 12.338 12.948 5.446 1.00 0.00 N ATOM 264 CA GLY A 25 12.422 11.857 4.494 1.00 0.00 C ATOM 265 C GLY A 25 11.323 11.928 3.455 1.00 0.00 C ATOM 266 O GLY A 25 11.592 11.959 2.254 1.00 0.00 O ATOM 0 H GLY A 25 12.922 13.755 5.227 1.00 0.00 H new ATOM 0 HA2 GLY A 25 13.392 11.882 3.998 1.00 0.00 H new ATOM 0 HA3 GLY A 25 12.359 10.907 5.024 1.00 0.00 H new ATOM 270 N LEU A 26 10.079 11.966 3.922 1.00 0.00 N ATOM 271 CA LEU A 26 8.926 12.047 3.034 1.00 0.00 C ATOM 272 C LEU A 26 7.626 12.101 3.826 1.00 0.00 C ATOM 273 O LEU A 26 6.678 12.773 3.427 1.00 0.00 O ATOM 274 CB LEU A 26 8.897 10.865 2.067 1.00 0.00 C ATOM 275 CG LEU A 26 8.249 11.166 0.715 1.00 0.00 C ATOM 276 CD1 LEU A 26 8.928 12.355 0.050 1.00 0.00 C ATOM 277 CD2 LEU A 26 8.304 9.944 -0.186 1.00 0.00 C ATOM 0 H LEU A 26 9.844 11.942 4.914 1.00 0.00 H new ATOM 0 HA LEU A 26 9.020 12.968 2.459 1.00 0.00 H new ATOM 0 HB2 LEU A 26 9.919 10.525 1.898 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.361 10.041 2.537 1.00 0.00 H new ATOM 0 HG LEU A 26 7.203 11.420 0.883 1.00 0.00 H new ATOM 0 HD11 LEU A 26 8.454 12.554 -0.911 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.834 13.232 0.690 1.00 0.00 H new ATOM 0 HD13 LEU A 26 9.983 12.131 -0.106 1.00 0.00 H new ATOM 0 HD21 LEU A 26 7.838 10.177 -1.144 1.00 0.00 H new ATOM 0 HD22 LEU A 26 9.343 9.658 -0.348 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.770 9.119 0.286 1.00 0.00 H new ATOM 289 N GLY A 27 7.585 11.398 4.953 1.00 0.00 N ATOM 290 CA GLY A 27 6.392 11.397 5.778 1.00 0.00 C ATOM 291 C GLY A 27 5.733 10.033 5.879 1.00 0.00 C ATOM 292 O GLY A 27 4.507 9.940 5.945 1.00 0.00 O ATOM 0 H GLY A 27 8.354 10.831 5.309 1.00 0.00 H new ATOM 0 HA2 GLY A 27 6.650 11.743 6.779 1.00 0.00 H new ATOM 0 HA3 GLY A 27 5.676 12.110 5.369 1.00 0.00 H new ATOM 296 N VAL A 28 6.536 8.971 5.893 1.00 0.00 N ATOM 297 CA VAL A 28 5.993 7.619 5.992 1.00 0.00 C ATOM 298 C VAL A 28 7.006 6.636 6.559 1.00 0.00 C ATOM 299 O VAL A 28 8.211 6.887 6.556 1.00 0.00 O ATOM 300 CB VAL A 28 5.522 7.083 4.623 1.00 0.00 C ATOM 301 CG1 VAL A 28 4.419 7.953 4.050 1.00 0.00 C ATOM 302 CG2 VAL A 28 6.690 6.987 3.653 1.00 0.00 C ATOM 0 H VAL A 28 7.553 9.019 5.838 1.00 0.00 H new ATOM 0 HA VAL A 28 5.142 7.698 6.668 1.00 0.00 H new ATOM 0 HB VAL A 28 5.118 6.082 4.773 1.00 0.00 H new ATOM 0 HG11 VAL A 28 4.105 7.554 3.086 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.570 7.961 4.733 1.00 0.00 H new ATOM 0 HG13 VAL A 28 4.789 8.970 3.919 1.00 0.00 H new ATOM 0 HG21 VAL A 28 6.337 6.607 2.694 1.00 0.00 H new ATOM 0 HG22 VAL A 28 7.128 7.975 3.513 1.00 0.00 H new ATOM 0 HG23 VAL A 28 7.443 6.310 4.056 1.00 0.00 H new ATOM 312 N SER A 29 6.498 5.499 7.021 1.00 0.00 N ATOM 313 CA SER A 29 7.332 4.442 7.568 1.00 0.00 C ATOM 314 C SER A 29 7.086 3.157 6.789 1.00 0.00 C ATOM 315 O SER A 29 5.971 2.633 6.780 1.00 0.00 O ATOM 316 CB SER A 29 7.023 4.231 9.052 1.00 0.00 C ATOM 317 OG SER A 29 6.627 5.443 9.667 1.00 0.00 O ATOM 0 H SER A 29 5.500 5.287 7.026 1.00 0.00 H new ATOM 0 HA SER A 29 8.380 4.727 7.477 1.00 0.00 H new ATOM 0 HB2 SER A 29 6.232 3.489 9.160 1.00 0.00 H new ATOM 0 HB3 SER A 29 7.903 3.834 9.557 1.00 0.00 H new ATOM 0 HG SER A 29 5.704 5.361 9.987 1.00 0.00 H new ATOM 323 N VAL A 30 8.118 2.667 6.112 1.00 0.00 N ATOM 324 CA VAL A 30 7.991 1.458 5.306 1.00 0.00 C ATOM 325 C VAL A 30 8.676 0.264 5.959 1.00 0.00 C ATOM 326 O VAL A 30 9.703 0.404 6.623 1.00 0.00 O ATOM 327 CB VAL A 30 8.584 1.661 3.898 1.00 0.00 C ATOM 328 CG1 VAL A 30 7.629 2.461 3.028 1.00 0.00 C ATOM 329 CG2 VAL A 30 9.941 2.345 3.981 1.00 0.00 C ATOM 0 H VAL A 30 9.048 3.086 6.105 1.00 0.00 H new ATOM 0 HA VAL A 30 6.923 1.253 5.228 1.00 0.00 H new ATOM 0 HB VAL A 30 8.725 0.682 3.439 1.00 0.00 H new ATOM 0 HG11 VAL A 30 8.064 2.595 2.038 1.00 0.00 H new ATOM 0 HG12 VAL A 30 6.683 1.927 2.940 1.00 0.00 H new ATOM 0 HG13 VAL A 30 7.454 3.436 3.482 1.00 0.00 H new ATOM 0 HG21 VAL A 30 10.343 2.479 2.977 1.00 0.00 H new ATOM 0 HG22 VAL A 30 9.829 3.318 4.460 1.00 0.00 H new ATOM 0 HG23 VAL A 30 10.624 1.729 4.566 1.00 0.00 H new ATOM 339 N LYS A 31 8.095 -0.915 5.754 1.00 0.00 N ATOM 340 CA LYS A 31 8.639 -2.147 6.310 1.00 0.00 C ATOM 341 C LYS A 31 8.455 -3.303 5.333 1.00 0.00 C ATOM 342 O LYS A 31 7.364 -3.513 4.802 1.00 0.00 O ATOM 343 CB LYS A 31 7.959 -2.476 7.640 1.00 0.00 C ATOM 344 CG LYS A 31 6.451 -2.632 7.531 1.00 0.00 C ATOM 345 CD LYS A 31 6.050 -4.090 7.362 1.00 0.00 C ATOM 346 CE LYS A 31 6.255 -4.877 8.645 1.00 0.00 C ATOM 347 NZ LYS A 31 5.100 -5.772 8.938 1.00 0.00 N ATOM 0 H LYS A 31 7.245 -1.042 5.205 1.00 0.00 H new ATOM 0 HA LYS A 31 9.705 -2.002 6.484 1.00 0.00 H new ATOM 0 HB2 LYS A 31 8.383 -3.398 8.037 1.00 0.00 H new ATOM 0 HB3 LYS A 31 8.183 -1.687 8.358 1.00 0.00 H new ATOM 0 HG2 LYS A 31 5.977 -2.225 8.424 1.00 0.00 H new ATOM 0 HG3 LYS A 31 6.085 -2.053 6.683 1.00 0.00 H new ATOM 0 HD2 LYS A 31 5.004 -4.148 7.062 1.00 0.00 H new ATOM 0 HD3 LYS A 31 6.637 -4.539 6.561 1.00 0.00 H new ATOM 0 HE2 LYS A 31 7.164 -5.472 8.564 1.00 0.00 H new ATOM 0 HE3 LYS A 31 6.399 -4.186 9.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 5.447 -6.669 9.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 4.469 -5.311 9.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 4.576 -5.962 8.060 1.00 0.00 H new ATOM 361 N GLY A 32 9.529 -4.048 5.094 1.00 0.00 N ATOM 362 CA GLY A 32 9.460 -5.169 4.178 1.00 0.00 C ATOM 363 C GLY A 32 9.258 -6.491 4.887 1.00 0.00 C ATOM 364 O GLY A 32 9.765 -6.697 5.990 1.00 0.00 O ATOM 0 H GLY A 32 10.444 -3.895 5.518 1.00 0.00 H new ATOM 0 HA2 GLY A 32 8.642 -5.009 3.476 1.00 0.00 H new ATOM 0 HA3 GLY A 32 10.379 -5.212 3.593 1.00 0.00 H new ATOM 368 N ASN A 33 8.518 -7.392 4.250 1.00 0.00 N ATOM 369 CA ASN A 33 8.253 -8.706 4.825 1.00 0.00 C ATOM 370 C ASN A 33 9.028 -9.791 4.089 1.00 0.00 C ATOM 371 O ASN A 33 9.771 -9.508 3.147 1.00 0.00 O ATOM 372 CB ASN A 33 6.756 -9.019 4.778 1.00 0.00 C ATOM 373 CG ASN A 33 5.964 -8.215 5.791 1.00 0.00 C ATOM 374 OD1 ASN A 33 6.381 -8.276 7.050 1.00 0.00 O flip ATOM 375 ND2 ASN A 33 4.989 -7.547 5.445 1.00 0.00 N flip ATOM 0 H ASN A 33 8.091 -7.237 3.337 1.00 0.00 H new ATOM 0 HA ASN A 33 8.582 -8.688 5.864 1.00 0.00 H new ATOM 0 HB2 ASN A 33 6.376 -8.813 3.777 1.00 0.00 H new ATOM 0 HB3 ASN A 33 6.604 -10.082 4.964 1.00 0.00 H new ATOM 0 HD21 ASN A 33 4.704 -7.530 4.466 1.00 0.00 H new ATOM 0 HD22 ASN A 33 4.466 -7.011 6.138 1.00 0.00 H new ATOM 382 N ARG A 34 8.847 -11.031 4.520 1.00 0.00 N ATOM 383 CA ARG A 34 9.525 -12.164 3.903 1.00 0.00 C ATOM 384 C ARG A 34 8.551 -13.314 3.672 1.00 0.00 C ATOM 385 O ARG A 34 7.526 -13.417 4.347 1.00 0.00 O ATOM 386 CB ARG A 34 10.690 -12.630 4.779 1.00 0.00 C ATOM 387 CG ARG A 34 12.049 -12.161 4.286 1.00 0.00 C ATOM 388 CD ARG A 34 13.160 -12.574 5.239 1.00 0.00 C ATOM 389 NE ARG A 34 14.208 -11.562 5.328 1.00 0.00 N ATOM 390 CZ ARG A 34 15.084 -11.488 6.329 1.00 0.00 C ATOM 391 NH1 ARG A 34 15.040 -12.364 7.325 1.00 0.00 N ATOM 392 NH2 ARG A 34 16.006 -10.535 6.332 1.00 0.00 N ATOM 0 H ARG A 34 8.235 -11.279 5.297 1.00 0.00 H new ATOM 0 HA ARG A 34 9.917 -11.842 2.938 1.00 0.00 H new ATOM 0 HB2 ARG A 34 10.537 -12.267 5.795 1.00 0.00 H new ATOM 0 HB3 ARG A 34 10.686 -13.719 4.825 1.00 0.00 H new ATOM 0 HG2 ARG A 34 12.242 -12.578 3.298 1.00 0.00 H new ATOM 0 HG3 ARG A 34 12.044 -11.076 4.179 1.00 0.00 H new ATOM 0 HD2 ARG A 34 12.741 -12.750 6.230 1.00 0.00 H new ATOM 0 HD3 ARG A 34 13.593 -13.516 4.904 1.00 0.00 H new ATOM 0 HE ARG A 34 14.273 -10.871 4.580 1.00 0.00 H new ATOM 0 HH11 ARG A 34 14.333 -13.099 7.327 1.00 0.00 H new ATOM 0 HH12 ARG A 34 15.713 -12.302 8.089 1.00 0.00 H new ATOM 0 HH21 ARG A 34 16.044 -9.860 5.569 1.00 0.00 H new ATOM 0 HH22 ARG A 34 16.677 -10.477 7.098 1.00 0.00 H new ATOM 406 N SER A 35 8.876 -14.177 2.715 1.00 0.00 N ATOM 407 CA SER A 35 8.029 -15.321 2.393 1.00 0.00 C ATOM 408 C SER A 35 7.635 -16.089 3.654 1.00 0.00 C ATOM 409 O SER A 35 8.370 -16.101 4.640 1.00 0.00 O ATOM 410 CB SER A 35 8.748 -16.255 1.418 1.00 0.00 C ATOM 411 OG SER A 35 7.844 -16.807 0.477 1.00 0.00 O ATOM 0 H SER A 35 9.721 -14.106 2.148 1.00 0.00 H new ATOM 0 HA SER A 35 7.120 -14.943 1.925 1.00 0.00 H new ATOM 0 HB2 SER A 35 9.531 -15.706 0.895 1.00 0.00 H new ATOM 0 HB3 SER A 35 9.236 -17.057 1.972 1.00 0.00 H new ATOM 0 HG SER A 35 8.200 -16.687 -0.428 1.00 0.00 H new ATOM 417 N LYS A 36 6.468 -16.724 3.611 1.00 0.00 N ATOM 418 CA LYS A 36 5.974 -17.490 4.751 1.00 0.00 C ATOM 419 C LYS A 36 6.852 -18.709 5.016 1.00 0.00 C ATOM 420 O LYS A 36 7.131 -19.044 6.167 1.00 0.00 O ATOM 421 CB LYS A 36 4.529 -17.930 4.505 1.00 0.00 C ATOM 422 CG LYS A 36 3.497 -16.903 4.940 1.00 0.00 C ATOM 423 CD LYS A 36 3.252 -15.867 3.855 1.00 0.00 C ATOM 424 CE LYS A 36 2.673 -16.502 2.600 1.00 0.00 C ATOM 425 NZ LYS A 36 1.820 -15.549 1.838 1.00 0.00 N ATOM 0 H LYS A 36 5.848 -16.724 2.801 1.00 0.00 H new ATOM 0 HA LYS A 36 6.009 -16.847 5.630 1.00 0.00 H new ATOM 0 HB2 LYS A 36 4.397 -18.138 3.443 1.00 0.00 H new ATOM 0 HB3 LYS A 36 4.347 -18.864 5.037 1.00 0.00 H new ATOM 0 HG2 LYS A 36 2.561 -17.406 5.182 1.00 0.00 H new ATOM 0 HG3 LYS A 36 3.837 -16.406 5.849 1.00 0.00 H new ATOM 0 HD2 LYS A 36 2.568 -15.104 4.227 1.00 0.00 H new ATOM 0 HD3 LYS A 36 4.188 -15.365 3.611 1.00 0.00 H new ATOM 0 HE2 LYS A 36 3.485 -16.852 1.963 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.084 -17.377 2.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 1.710 -15.887 0.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 0.885 -15.483 2.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 2.268 -14.611 1.831 1.00 0.00 H new ATOM 439 N GLU A 37 7.281 -19.368 3.946 1.00 0.00 N ATOM 440 CA GLU A 37 8.125 -20.551 4.066 1.00 0.00 C ATOM 441 C GLU A 37 9.554 -20.253 3.628 1.00 0.00 C ATOM 442 O GLU A 37 10.510 -20.786 4.194 1.00 0.00 O ATOM 443 CB GLU A 37 7.551 -21.699 3.231 1.00 0.00 C ATOM 444 CG GLU A 37 7.466 -21.389 1.746 1.00 0.00 C ATOM 445 CD GLU A 37 6.174 -21.876 1.121 1.00 0.00 C ATOM 446 OE1 GLU A 37 6.037 -23.102 0.920 1.00 0.00 O ATOM 447 OE2 GLU A 37 5.299 -21.033 0.831 1.00 0.00 O ATOM 0 H GLU A 37 7.059 -19.104 2.986 1.00 0.00 H new ATOM 0 HA GLU A 37 8.143 -20.846 5.115 1.00 0.00 H new ATOM 0 HB2 GLU A 37 8.169 -22.585 3.374 1.00 0.00 H new ATOM 0 HB3 GLU A 37 6.555 -21.943 3.600 1.00 0.00 H new ATOM 0 HG2 GLU A 37 7.554 -20.313 1.598 1.00 0.00 H new ATOM 0 HG3 GLU A 37 8.310 -21.851 1.233 1.00 0.00 H new ATOM 454 N ASN A 38 9.695 -19.402 2.619 1.00 0.00 N ATOM 455 CA ASN A 38 11.011 -19.035 2.105 1.00 0.00 C ATOM 456 C ASN A 38 11.542 -17.790 2.807 1.00 0.00 C ATOM 457 O ASN A 38 10.812 -17.112 3.530 1.00 0.00 O ATOM 458 CB ASN A 38 10.944 -18.796 0.596 1.00 0.00 C ATOM 459 CG ASN A 38 10.218 -19.908 -0.136 1.00 0.00 C ATOM 460 OD1 ASN A 38 10.633 -21.067 -0.097 1.00 0.00 O ATOM 461 ND2 ASN A 38 9.127 -19.559 -0.807 1.00 0.00 N ATOM 0 H ASN A 38 8.915 -18.952 2.140 1.00 0.00 H new ATOM 0 HA ASN A 38 11.694 -19.861 2.304 1.00 0.00 H new ATOM 0 HB2 ASN A 38 10.440 -17.849 0.403 1.00 0.00 H new ATOM 0 HB3 ASN A 38 11.956 -18.705 0.200 1.00 0.00 H new ATOM 0 HD21 ASN A 38 8.595 -20.264 -1.318 1.00 0.00 H new ATOM 0 HD22 ASN A 38 8.820 -18.586 -0.811 1.00 0.00 H new ATOM 468 N HIS A 39 12.819 -17.494 2.588 1.00 0.00 N ATOM 469 CA HIS A 39 13.448 -16.328 3.199 1.00 0.00 C ATOM 470 C HIS A 39 13.597 -15.199 2.184 1.00 0.00 C ATOM 471 O HIS A 39 14.534 -14.405 2.257 1.00 0.00 O ATOM 472 CB HIS A 39 14.817 -16.701 3.771 1.00 0.00 C ATOM 473 CG HIS A 39 14.742 -17.614 4.956 1.00 0.00 C ATOM 474 ND1 HIS A 39 13.985 -17.334 6.075 1.00 0.00 N ATOM 475 CD2 HIS A 39 15.336 -18.807 5.194 1.00 0.00 C ATOM 476 CE1 HIS A 39 14.118 -18.317 6.949 1.00 0.00 C ATOM 477 NE2 HIS A 39 14.931 -19.222 6.438 1.00 0.00 N ATOM 0 H HIS A 39 13.438 -18.044 1.993 1.00 0.00 H new ATOM 0 HA HIS A 39 12.807 -15.982 4.010 1.00 0.00 H new ATOM 0 HB2 HIS A 39 15.410 -17.179 2.991 1.00 0.00 H new ATOM 0 HB3 HIS A 39 15.343 -15.790 4.057 1.00 0.00 H new ATOM 0 HD1 HIS A 39 13.413 -16.500 6.207 1.00 0.00 H new ATOM 0 HD2 HIS A 39 16.004 -19.334 4.529 1.00 0.00 H new ATOM 0 HE1 HIS A 39 13.642 -18.370 7.917 1.00 0.00 H new ATOM 486 N ALA A 40 12.667 -15.136 1.236 1.00 0.00 N ATOM 487 CA ALA A 40 12.696 -14.107 0.204 1.00 0.00 C ATOM 488 C ALA A 40 11.770 -12.947 0.559 1.00 0.00 C ATOM 489 O ALA A 40 10.601 -13.151 0.885 1.00 0.00 O ATOM 490 CB ALA A 40 12.312 -14.699 -1.142 1.00 0.00 C ATOM 0 H ALA A 40 11.884 -15.786 1.162 1.00 0.00 H new ATOM 0 HA ALA A 40 13.713 -13.719 0.140 1.00 0.00 H new ATOM 0 HB1 ALA A 40 12.338 -13.919 -1.903 1.00 0.00 H new ATOM 0 HB2 ALA A 40 13.016 -15.488 -1.407 1.00 0.00 H new ATOM 0 HB3 ALA A 40 11.306 -15.115 -1.083 1.00 0.00 H new ATOM 496 N ASP A 41 12.301 -11.731 0.489 1.00 0.00 N ATOM 497 CA ASP A 41 11.527 -10.536 0.800 1.00 0.00 C ATOM 498 C ASP A 41 10.282 -10.445 -0.077 1.00 0.00 C ATOM 499 O ASP A 41 10.317 -10.785 -1.260 1.00 0.00 O ATOM 500 CB ASP A 41 12.390 -9.288 0.609 1.00 0.00 C ATOM 501 CG ASP A 41 13.111 -9.282 -0.725 1.00 0.00 C ATOM 502 OD1 ASP A 41 12.496 -8.867 -1.730 1.00 0.00 O ATOM 503 OD2 ASP A 41 14.290 -9.692 -0.765 1.00 0.00 O ATOM 0 H ASP A 41 13.267 -11.547 0.219 1.00 0.00 H new ATOM 0 HA ASP A 41 11.209 -10.599 1.841 1.00 0.00 H new ATOM 0 HB2 ASP A 41 11.762 -8.400 0.683 1.00 0.00 H new ATOM 0 HB3 ASP A 41 13.122 -9.229 1.415 1.00 0.00 H new ATOM 508 N LEU A 42 9.185 -9.978 0.509 1.00 0.00 N ATOM 509 CA LEU A 42 7.929 -9.836 -0.220 1.00 0.00 C ATOM 510 C LEU A 42 7.658 -8.373 -0.570 1.00 0.00 C ATOM 511 O LEU A 42 6.551 -8.021 -0.979 1.00 0.00 O ATOM 512 CB LEU A 42 6.769 -10.397 0.604 1.00 0.00 C ATOM 513 CG LEU A 42 7.018 -11.779 1.212 1.00 0.00 C ATOM 514 CD1 LEU A 42 5.777 -12.271 1.941 1.00 0.00 C ATOM 515 CD2 LEU A 42 7.434 -12.767 0.133 1.00 0.00 C ATOM 0 H LEU A 42 9.140 -9.691 1.487 1.00 0.00 H new ATOM 0 HA LEU A 42 8.015 -10.401 -1.148 1.00 0.00 H new ATOM 0 HB2 LEU A 42 6.543 -9.698 1.409 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.884 -10.450 -0.030 1.00 0.00 H new ATOM 0 HG LEU A 42 7.830 -11.698 1.935 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.972 -13.255 2.367 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.523 -11.573 2.739 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.945 -12.337 1.240 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.607 -13.745 0.582 1.00 0.00 H new ATOM 0 HD22 LEU A 42 6.643 -12.845 -0.613 1.00 0.00 H new ATOM 0 HD23 LEU A 42 8.350 -12.420 -0.345 1.00 0.00 H new ATOM 527 N GLY A 43 8.672 -7.527 -0.411 1.00 0.00 N ATOM 528 CA GLY A 43 8.514 -6.116 -0.717 1.00 0.00 C ATOM 529 C GLY A 43 8.244 -5.279 0.518 1.00 0.00 C ATOM 530 O GLY A 43 8.004 -5.817 1.599 1.00 0.00 O ATOM 0 H GLY A 43 9.598 -7.793 -0.076 1.00 0.00 H new ATOM 0 HA2 GLY A 43 9.416 -5.751 -1.209 1.00 0.00 H new ATOM 0 HA3 GLY A 43 7.693 -5.991 -1.423 1.00 0.00 H new ATOM 534 N ILE A 44 8.278 -3.958 0.353 1.00 0.00 N ATOM 535 CA ILE A 44 8.032 -3.039 1.460 1.00 0.00 C ATOM 536 C ILE A 44 6.622 -2.468 1.392 1.00 0.00 C ATOM 537 O ILE A 44 6.151 -2.075 0.325 1.00 0.00 O ATOM 538 CB ILE A 44 9.043 -1.873 1.474 1.00 0.00 C ATOM 539 CG1 ILE A 44 9.299 -1.364 0.053 1.00 0.00 C ATOM 540 CG2 ILE A 44 10.345 -2.301 2.138 1.00 0.00 C ATOM 541 CD1 ILE A 44 10.436 -2.071 -0.652 1.00 0.00 C ATOM 0 H ILE A 44 8.474 -3.501 -0.538 1.00 0.00 H new ATOM 0 HA ILE A 44 8.150 -3.617 2.376 1.00 0.00 H new ATOM 0 HB ILE A 44 8.617 -1.056 2.056 1.00 0.00 H new ATOM 0 HG12 ILE A 44 8.389 -1.483 -0.535 1.00 0.00 H new ATOM 0 HG13 ILE A 44 9.516 -0.297 0.093 1.00 0.00 H new ATOM 0 HG21 ILE A 44 11.045 -1.466 2.138 1.00 0.00 H new ATOM 0 HG22 ILE A 44 10.146 -2.608 3.165 1.00 0.00 H new ATOM 0 HG23 ILE A 44 10.777 -3.136 1.587 1.00 0.00 H new ATOM 0 HD11 ILE A 44 10.557 -1.657 -1.653 1.00 0.00 H new ATOM 0 HD12 ILE A 44 11.358 -1.931 -0.087 1.00 0.00 H new ATOM 0 HD13 ILE A 44 10.213 -3.136 -0.725 1.00 0.00 H new ATOM 553 N PHE A 45 5.950 -2.427 2.538 1.00 0.00 N ATOM 554 CA PHE A 45 4.589 -1.906 2.606 1.00 0.00 C ATOM 555 C PHE A 45 4.508 -0.729 3.570 1.00 0.00 C ATOM 556 O PHE A 45 5.144 -0.734 4.626 1.00 0.00 O ATOM 557 CB PHE A 45 3.614 -3.005 3.042 1.00 0.00 C ATOM 558 CG PHE A 45 4.049 -4.391 2.658 1.00 0.00 C ATOM 559 CD1 PHE A 45 5.025 -5.049 3.388 1.00 0.00 C ATOM 560 CD2 PHE A 45 3.486 -5.034 1.568 1.00 0.00 C ATOM 561 CE1 PHE A 45 5.432 -6.323 3.039 1.00 0.00 C ATOM 562 CE2 PHE A 45 3.887 -6.308 1.213 1.00 0.00 C ATOM 563 CZ PHE A 45 4.862 -6.953 1.950 1.00 0.00 C ATOM 0 H PHE A 45 6.325 -2.748 3.431 1.00 0.00 H new ATOM 0 HA PHE A 45 4.311 -1.561 1.610 1.00 0.00 H new ATOM 0 HB2 PHE A 45 3.491 -2.960 4.124 1.00 0.00 H new ATOM 0 HB3 PHE A 45 2.637 -2.806 2.602 1.00 0.00 H new ATOM 0 HD1 PHE A 45 5.474 -4.561 4.240 1.00 0.00 H new ATOM 0 HD2 PHE A 45 2.724 -4.534 0.988 1.00 0.00 H new ATOM 0 HE1 PHE A 45 6.194 -6.825 3.617 1.00 0.00 H new ATOM 0 HE2 PHE A 45 3.439 -6.799 0.361 1.00 0.00 H new ATOM 0 HZ PHE A 45 5.178 -7.948 1.675 1.00 0.00 H new ATOM 573 N VAL A 46 3.717 0.276 3.204 1.00 0.00 N ATOM 574 CA VAL A 46 3.546 1.456 4.042 1.00 0.00 C ATOM 575 C VAL A 46 3.062 1.062 5.432 1.00 0.00 C ATOM 576 O VAL A 46 1.897 0.718 5.618 1.00 0.00 O ATOM 577 CB VAL A 46 2.549 2.450 3.416 1.00 0.00 C ATOM 578 CG1 VAL A 46 2.443 3.712 4.261 1.00 0.00 C ATOM 579 CG2 VAL A 46 2.959 2.792 1.991 1.00 0.00 C ATOM 0 H VAL A 46 3.186 0.296 2.334 1.00 0.00 H new ATOM 0 HA VAL A 46 4.519 1.942 4.121 1.00 0.00 H new ATOM 0 HB VAL A 46 1.568 1.977 3.387 1.00 0.00 H new ATOM 0 HG11 VAL A 46 1.734 4.400 3.800 1.00 0.00 H new ATOM 0 HG12 VAL A 46 2.098 3.452 5.262 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.421 4.189 4.327 1.00 0.00 H new ATOM 0 HG21 VAL A 46 2.243 3.495 1.565 1.00 0.00 H new ATOM 0 HG22 VAL A 46 3.951 3.243 1.996 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.977 1.883 1.389 1.00 0.00 H new ATOM 589 N LYS A 47 3.966 1.107 6.402 1.00 0.00 N ATOM 590 CA LYS A 47 3.630 0.749 7.774 1.00 0.00 C ATOM 591 C LYS A 47 2.815 1.853 8.436 1.00 0.00 C ATOM 592 O LYS A 47 1.859 1.584 9.162 1.00 0.00 O ATOM 593 CB LYS A 47 4.901 0.479 8.583 1.00 0.00 C ATOM 594 CG LYS A 47 4.640 0.214 10.058 1.00 0.00 C ATOM 595 CD LYS A 47 3.659 -0.933 10.256 1.00 0.00 C ATOM 596 CE LYS A 47 4.256 -2.041 11.108 1.00 0.00 C ATOM 597 NZ LYS A 47 4.000 -1.825 12.559 1.00 0.00 N ATOM 0 H LYS A 47 4.937 1.388 6.264 1.00 0.00 H new ATOM 0 HA LYS A 47 3.028 -0.159 7.749 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.419 -0.379 8.154 1.00 0.00 H new ATOM 0 HB3 LYS A 47 5.570 1.334 8.489 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.580 -0.020 10.558 1.00 0.00 H new ATOM 0 HG3 LYS A 47 4.246 1.116 10.526 1.00 0.00 H new ATOM 0 HD2 LYS A 47 2.752 -0.558 10.730 1.00 0.00 H new ATOM 0 HD3 LYS A 47 3.369 -1.336 9.286 1.00 0.00 H new ATOM 0 HE2 LYS A 47 3.835 -2.999 10.804 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.331 -2.095 10.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 4.423 -2.602 13.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 4.423 -0.923 12.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 2.975 -1.799 12.731 1.00 0.00 H new ATOM 611 N SER A 48 3.202 3.095 8.180 1.00 0.00 N ATOM 612 CA SER A 48 2.504 4.238 8.755 1.00 0.00 C ATOM 613 C SER A 48 2.919 5.536 8.073 1.00 0.00 C ATOM 614 O SER A 48 4.102 5.867 8.010 1.00 0.00 O ATOM 615 CB SER A 48 2.777 4.326 10.256 1.00 0.00 C ATOM 616 OG SER A 48 4.034 4.923 10.513 1.00 0.00 O ATOM 0 H SER A 48 3.991 3.337 7.581 1.00 0.00 H new ATOM 0 HA SER A 48 1.436 4.094 8.594 1.00 0.00 H new ATOM 0 HB2 SER A 48 1.990 4.906 10.738 1.00 0.00 H new ATOM 0 HB3 SER A 48 2.749 3.328 10.693 1.00 0.00 H new ATOM 0 HG SER A 48 4.183 4.968 11.481 1.00 0.00 H new ATOM 622 N ILE A 49 1.933 6.267 7.564 1.00 0.00 N ATOM 623 CA ILE A 49 2.190 7.532 6.888 1.00 0.00 C ATOM 624 C ILE A 49 2.127 8.699 7.867 1.00 0.00 C ATOM 625 O ILE A 49 1.062 9.035 8.383 1.00 0.00 O ATOM 626 CB ILE A 49 1.183 7.768 5.743 1.00 0.00 C ATOM 627 CG1 ILE A 49 1.242 6.611 4.750 1.00 0.00 C ATOM 628 CG2 ILE A 49 1.455 9.090 5.037 1.00 0.00 C ATOM 629 CD1 ILE A 49 0.226 6.719 3.634 1.00 0.00 C ATOM 0 H ILE A 49 0.948 6.004 7.607 1.00 0.00 H new ATOM 0 HA ILE A 49 3.194 7.474 6.468 1.00 0.00 H new ATOM 0 HB ILE A 49 0.182 7.818 6.171 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.241 6.565 4.317 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.083 5.675 5.285 1.00 0.00 H new ATOM 0 HG21 ILE A 49 0.730 9.230 4.235 1.00 0.00 H new ATOM 0 HG22 ILE A 49 1.368 9.909 5.751 1.00 0.00 H new ATOM 0 HG23 ILE A 49 2.461 9.079 4.619 1.00 0.00 H new ATOM 0 HD11 ILE A 49 0.326 5.863 2.967 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -0.779 6.734 4.057 1.00 0.00 H new ATOM 0 HD13 ILE A 49 0.398 7.638 3.073 1.00 0.00 H new ATOM 641 N ILE A 50 3.280 9.314 8.111 1.00 0.00 N ATOM 642 CA ILE A 50 3.366 10.451 9.022 1.00 0.00 C ATOM 643 C ILE A 50 2.339 11.517 8.656 1.00 0.00 C ATOM 644 O ILE A 50 2.503 12.224 7.665 1.00 0.00 O ATOM 645 CB ILE A 50 4.777 11.084 9.010 1.00 0.00 C ATOM 646 CG1 ILE A 50 5.784 10.157 9.686 1.00 0.00 C ATOM 647 CG2 ILE A 50 4.772 12.443 9.705 1.00 0.00 C ATOM 648 CD1 ILE A 50 6.826 9.599 8.744 1.00 0.00 C ATOM 0 H ILE A 50 4.169 9.044 7.690 1.00 0.00 H new ATOM 0 HA ILE A 50 3.159 10.073 10.023 1.00 0.00 H new ATOM 0 HB ILE A 50 5.071 11.229 7.970 1.00 0.00 H new ATOM 0 HG12 ILE A 50 6.285 10.702 10.486 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.247 9.330 10.151 1.00 0.00 H new ATOM 0 HG21 ILE A 50 5.776 12.867 9.683 1.00 0.00 H new ATOM 0 HG22 ILE A 50 4.084 13.113 9.189 1.00 0.00 H new ATOM 0 HG23 ILE A 50 4.452 12.321 10.740 1.00 0.00 H new ATOM 0 HD11 ILE A 50 7.506 8.950 9.296 1.00 0.00 H new ATOM 0 HD12 ILE A 50 6.336 9.026 7.957 1.00 0.00 H new ATOM 0 HD13 ILE A 50 7.389 10.419 8.298 1.00 0.00 H new ATOM 660 N ASN A 51 1.287 11.626 9.459 1.00 0.00 N ATOM 661 CA ASN A 51 0.240 12.613 9.208 1.00 0.00 C ATOM 662 C ASN A 51 0.794 14.029 9.331 1.00 0.00 C ATOM 663 O ASN A 51 0.554 14.720 10.320 1.00 0.00 O ATOM 664 CB ASN A 51 -0.932 12.418 10.177 1.00 0.00 C ATOM 665 CG ASN A 51 -0.480 12.115 11.594 1.00 0.00 C ATOM 666 OD1 ASN A 51 -0.680 11.010 12.097 1.00 0.00 O ATOM 667 ND2 ASN A 51 0.132 13.097 12.244 1.00 0.00 N ATOM 0 H ASN A 51 1.135 11.047 10.285 1.00 0.00 H new ATOM 0 HA ASN A 51 -0.123 12.469 8.190 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -1.547 13.318 10.181 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -1.561 11.603 9.819 1.00 0.00 H new ATOM 0 HD21 ASN A 51 0.458 12.951 13.200 1.00 0.00 H new ATOM 0 HD22 ASN A 51 0.277 13.998 11.788 1.00 0.00 H new ATOM 674 N GLY A 52 1.539 14.452 8.317 1.00 0.00 N ATOM 675 CA GLY A 52 2.122 15.778 8.322 1.00 0.00 C ATOM 676 C GLY A 52 3.249 15.909 7.316 1.00 0.00 C ATOM 677 O GLY A 52 3.489 16.991 6.782 1.00 0.00 O ATOM 0 H GLY A 52 1.750 13.896 7.488 1.00 0.00 H new ATOM 0 HA2 GLY A 52 1.350 16.514 8.099 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.499 16.004 9.319 1.00 0.00 H new ATOM 681 N GLY A 53 3.941 14.803 7.058 1.00 0.00 N ATOM 682 CA GLY A 53 5.036 14.824 6.109 1.00 0.00 C ATOM 683 C GLY A 53 4.574 15.084 4.689 1.00 0.00 C ATOM 684 O GLY A 53 3.416 15.429 4.455 1.00 0.00 O ATOM 0 H GLY A 53 3.762 13.896 7.489 1.00 0.00 H new ATOM 0 HA2 GLY A 53 5.750 15.594 6.401 1.00 0.00 H new ATOM 0 HA3 GLY A 53 5.562 13.870 6.147 1.00 0.00 H new ATOM 688 N ALA A 54 5.488 14.923 3.741 1.00 0.00 N ATOM 689 CA ALA A 54 5.192 15.145 2.331 1.00 0.00 C ATOM 690 C ALA A 54 4.237 14.094 1.775 1.00 0.00 C ATOM 691 O ALA A 54 3.367 14.402 0.958 1.00 0.00 O ATOM 692 CB ALA A 54 6.480 15.151 1.532 1.00 0.00 C ATOM 0 H ALA A 54 6.449 14.637 3.925 1.00 0.00 H new ATOM 0 HA ALA A 54 4.699 16.113 2.244 1.00 0.00 H new ATOM 0 HB1 ALA A 54 6.254 15.317 0.479 1.00 0.00 H new ATOM 0 HB2 ALA A 54 7.129 15.948 1.894 1.00 0.00 H new ATOM 0 HB3 ALA A 54 6.984 14.192 1.648 1.00 0.00 H new ATOM 698 N ALA A 55 4.409 12.854 2.211 1.00 0.00 N ATOM 699 CA ALA A 55 3.569 11.758 1.745 1.00 0.00 C ATOM 700 C ALA A 55 2.130 11.920 2.216 1.00 0.00 C ATOM 701 O ALA A 55 1.189 11.749 1.440 1.00 0.00 O ATOM 702 CB ALA A 55 4.137 10.430 2.210 1.00 0.00 C ATOM 0 H ALA A 55 5.123 12.581 2.887 1.00 0.00 H new ATOM 0 HA ALA A 55 3.562 11.778 0.655 1.00 0.00 H new ATOM 0 HB1 ALA A 55 3.501 9.618 1.856 1.00 0.00 H new ATOM 0 HB2 ALA A 55 5.143 10.304 1.809 1.00 0.00 H new ATOM 0 HB3 ALA A 55 4.175 10.412 3.299 1.00 0.00 H new ATOM 708 N SER A 56 1.965 12.262 3.486 1.00 0.00 N ATOM 709 CA SER A 56 0.635 12.460 4.047 1.00 0.00 C ATOM 710 C SER A 56 -0.024 13.668 3.400 1.00 0.00 C ATOM 711 O SER A 56 -1.236 13.697 3.187 1.00 0.00 O ATOM 712 CB SER A 56 0.720 12.660 5.560 1.00 0.00 C ATOM 713 OG SER A 56 0.372 11.475 6.254 1.00 0.00 O ATOM 0 H SER A 56 2.730 12.408 4.145 1.00 0.00 H new ATOM 0 HA SER A 56 0.034 11.573 3.846 1.00 0.00 H new ATOM 0 HB2 SER A 56 1.731 12.961 5.833 1.00 0.00 H new ATOM 0 HB3 SER A 56 0.054 13.469 5.860 1.00 0.00 H new ATOM 0 HG SER A 56 -0.604 11.392 6.290 1.00 0.00 H new ATOM 719 N LYS A 57 0.796 14.665 3.088 1.00 0.00 N ATOM 720 CA LYS A 57 0.322 15.887 2.460 1.00 0.00 C ATOM 721 C LYS A 57 -0.145 15.621 1.034 1.00 0.00 C ATOM 722 O LYS A 57 -1.044 16.292 0.527 1.00 0.00 O ATOM 723 CB LYS A 57 1.427 16.926 2.468 1.00 0.00 C ATOM 724 CG LYS A 57 1.569 17.596 3.817 1.00 0.00 C ATOM 725 CD LYS A 57 2.717 18.570 3.819 1.00 0.00 C ATOM 726 CE LYS A 57 2.244 19.964 3.448 1.00 0.00 C ATOM 727 NZ LYS A 57 3.254 21.005 3.785 1.00 0.00 N ATOM 0 H LYS A 57 1.801 14.647 3.263 1.00 0.00 H new ATOM 0 HA LYS A 57 -0.530 16.263 3.027 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.371 16.453 2.198 1.00 0.00 H new ATOM 0 HB3 LYS A 57 1.220 17.680 1.709 1.00 0.00 H new ATOM 0 HG2 LYS A 57 0.645 18.117 4.067 1.00 0.00 H new ATOM 0 HG3 LYS A 57 1.727 16.841 4.587 1.00 0.00 H new ATOM 0 HD2 LYS A 57 3.181 18.589 4.805 1.00 0.00 H new ATOM 0 HD3 LYS A 57 3.480 18.241 3.114 1.00 0.00 H new ATOM 0 HE2 LYS A 57 2.028 20.001 2.380 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.312 20.181 3.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 2.891 21.941 3.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 3.442 20.988 4.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 4.136 20.814 3.268 1.00 0.00 H new ATOM 741 N ASP A 58 0.473 14.633 0.393 1.00 0.00 N ATOM 742 CA ASP A 58 0.119 14.272 -0.973 1.00 0.00 C ATOM 743 C ASP A 58 -1.312 13.754 -1.046 1.00 0.00 C ATOM 744 O ASP A 58 -1.962 13.840 -2.087 1.00 0.00 O ATOM 745 CB ASP A 58 1.082 13.216 -1.513 1.00 0.00 C ATOM 746 CG ASP A 58 1.413 13.450 -2.971 1.00 0.00 C ATOM 747 OD1 ASP A 58 1.989 14.510 -3.284 1.00 0.00 O ATOM 748 OD2 ASP A 58 1.085 12.580 -3.804 1.00 0.00 O ATOM 0 H ASP A 58 1.220 14.070 0.798 1.00 0.00 H new ATOM 0 HA ASP A 58 0.194 15.169 -1.587 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.000 13.227 -0.926 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.640 12.227 -1.395 1.00 0.00 H new ATOM 753 N GLY A 59 -1.799 13.215 0.068 1.00 0.00 N ATOM 754 CA GLY A 59 -3.151 12.689 0.109 1.00 0.00 C ATOM 755 C GLY A 59 -3.366 11.553 -0.874 1.00 0.00 C ATOM 756 O GLY A 59 -4.488 11.314 -1.318 1.00 0.00 O ATOM 0 H GLY A 59 -1.281 13.133 0.943 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -3.370 12.338 1.117 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -3.856 13.491 -0.109 1.00 0.00 H new ATOM 760 N ARG A 60 -2.288 10.849 -1.212 1.00 0.00 N ATOM 761 CA ARG A 60 -2.369 9.732 -2.144 1.00 0.00 C ATOM 762 C ARG A 60 -1.854 8.452 -1.499 1.00 0.00 C ATOM 763 O ARG A 60 -2.352 7.361 -1.772 1.00 0.00 O ATOM 764 CB ARG A 60 -1.563 10.037 -3.410 1.00 0.00 C ATOM 765 CG ARG A 60 -2.423 10.383 -4.613 1.00 0.00 C ATOM 766 CD ARG A 60 -1.589 10.976 -5.735 1.00 0.00 C ATOM 767 NE ARG A 60 -0.961 12.233 -5.340 1.00 0.00 N ATOM 768 CZ ARG A 60 -0.247 12.998 -6.163 1.00 0.00 C ATOM 769 NH1 ARG A 60 -0.056 12.634 -7.425 1.00 0.00 N ATOM 770 NH2 ARG A 60 0.286 14.126 -5.720 1.00 0.00 N ATOM 0 H ARG A 60 -1.351 11.033 -0.854 1.00 0.00 H new ATOM 0 HA ARG A 60 -3.416 9.589 -2.413 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -0.886 10.867 -3.208 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -0.944 9.173 -3.653 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -2.931 9.487 -4.969 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -3.196 11.092 -4.318 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -0.820 10.263 -6.031 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -2.221 11.144 -6.607 1.00 0.00 H new ATOM 0 HE ARG A 60 -1.076 12.544 -4.375 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -0.458 11.762 -7.771 1.00 0.00 H new ATOM 0 HH12 ARG A 60 0.492 13.226 -8.049 1.00 0.00 H new ATOM 0 HH21 ARG A 60 0.149 14.408 -4.749 1.00 0.00 H new ATOM 0 HH22 ARG A 60 0.833 14.713 -6.349 1.00 0.00 H new ATOM 784 N LEU A 61 -0.845 8.593 -0.647 1.00 0.00 N ATOM 785 CA LEU A 61 -0.252 7.450 0.036 1.00 0.00 C ATOM 786 C LEU A 61 -1.232 6.816 1.017 1.00 0.00 C ATOM 787 O LEU A 61 -1.988 7.510 1.698 1.00 0.00 O ATOM 788 CB LEU A 61 1.019 7.877 0.772 1.00 0.00 C ATOM 789 CG LEU A 61 2.257 7.989 -0.110 1.00 0.00 C ATOM 790 CD1 LEU A 61 2.513 9.438 -0.501 1.00 0.00 C ATOM 791 CD2 LEU A 61 3.472 7.395 0.590 1.00 0.00 C ATOM 0 H LEU A 61 -0.420 9.490 -0.413 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.000 6.705 -0.719 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.840 8.841 1.249 1.00 0.00 H new ATOM 0 HB3 LEU A 61 1.220 7.160 1.568 1.00 0.00 H new ATOM 0 HG LEU A 61 2.078 7.419 -1.022 1.00 0.00 H new ATOM 0 HD11 LEU A 61 3.401 9.494 -1.130 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.654 9.824 -1.051 1.00 0.00 H new ATOM 0 HD13 LEU A 61 2.667 10.036 0.398 1.00 0.00 H new ATOM 0 HD21 LEU A 61 4.345 7.485 -0.057 1.00 0.00 H new ATOM 0 HD22 LEU A 61 3.654 7.931 1.521 1.00 0.00 H new ATOM 0 HD23 LEU A 61 3.288 6.343 0.807 1.00 0.00 H new ATOM 803 N ARG A 62 -1.198 5.491 1.088 1.00 0.00 N ATOM 804 CA ARG A 62 -2.068 4.743 1.986 1.00 0.00 C ATOM 805 C ARG A 62 -1.294 3.609 2.648 1.00 0.00 C ATOM 806 O ARG A 62 -0.557 2.880 1.986 1.00 0.00 O ATOM 807 CB ARG A 62 -3.269 4.176 1.227 1.00 0.00 C ATOM 808 CG ARG A 62 -4.409 5.169 1.059 1.00 0.00 C ATOM 809 CD ARG A 62 -4.235 6.029 -0.186 1.00 0.00 C ATOM 810 NE ARG A 62 -3.745 5.260 -1.328 1.00 0.00 N ATOM 811 CZ ARG A 62 -4.460 4.334 -1.963 1.00 0.00 C ATOM 812 NH1 ARG A 62 -5.702 4.068 -1.578 1.00 0.00 N ATOM 813 NH2 ARG A 62 -3.934 3.676 -2.987 1.00 0.00 N ATOM 0 H ARG A 62 -0.573 4.909 0.530 1.00 0.00 H new ATOM 0 HA ARG A 62 -2.431 5.425 2.755 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -2.941 3.842 0.242 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -3.639 3.297 1.754 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -5.354 4.630 0.998 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -4.464 5.811 1.938 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -5.189 6.489 -0.443 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -3.538 6.839 0.029 1.00 0.00 H new ATOM 0 HE ARG A 62 -2.798 5.444 -1.659 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -6.112 4.574 -0.793 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -6.247 3.358 -2.067 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -2.981 3.879 -3.288 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -4.482 2.967 -3.473 1.00 0.00 H new ATOM 827 N VAL A 63 -1.464 3.464 3.957 1.00 0.00 N ATOM 828 CA VAL A 63 -0.777 2.419 4.702 1.00 0.00 C ATOM 829 C VAL A 63 -1.140 1.035 4.166 1.00 0.00 C ATOM 830 O VAL A 63 -2.268 0.809 3.730 1.00 0.00 O ATOM 831 CB VAL A 63 -1.105 2.495 6.207 1.00 0.00 C ATOM 832 CG1 VAL A 63 -0.319 1.454 6.990 1.00 0.00 C ATOM 833 CG2 VAL A 63 -0.815 3.891 6.739 1.00 0.00 C ATOM 0 H VAL A 63 -2.071 4.057 4.523 1.00 0.00 H new ATOM 0 HA VAL A 63 0.293 2.580 4.571 1.00 0.00 H new ATOM 0 HB VAL A 63 -2.166 2.283 6.336 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -0.569 1.529 8.048 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -0.573 0.458 6.627 1.00 0.00 H new ATOM 0 HG13 VAL A 63 0.749 1.628 6.856 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -1.051 3.931 7.802 1.00 0.00 H new ATOM 0 HG22 VAL A 63 0.239 4.125 6.592 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -1.426 4.618 6.204 1.00 0.00 H new ATOM 843 N ASN A 64 -0.167 0.121 4.198 1.00 0.00 N ATOM 844 CA ASN A 64 -0.351 -1.253 3.716 1.00 0.00 C ATOM 845 C ASN A 64 -0.053 -1.364 2.220 1.00 0.00 C ATOM 846 O ASN A 64 -0.019 -2.465 1.671 1.00 0.00 O ATOM 847 CB ASN A 64 -1.766 -1.766 4.006 1.00 0.00 C ATOM 848 CG ASN A 64 -2.235 -1.423 5.407 1.00 0.00 C ATOM 849 OD1 ASN A 64 -1.586 -1.773 6.395 1.00 0.00 O ATOM 850 ND2 ASN A 64 -3.365 -0.733 5.502 1.00 0.00 N ATOM 0 H ASN A 64 0.769 0.310 4.557 1.00 0.00 H new ATOM 0 HA ASN A 64 0.360 -1.876 4.259 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -2.459 -1.340 3.280 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -1.791 -2.848 3.873 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -3.728 -0.472 6.419 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -3.871 -0.464 4.658 1.00 0.00 H new ATOM 857 N ASP A 65 0.168 -0.227 1.565 1.00 0.00 N ATOM 858 CA ASP A 65 0.469 -0.216 0.140 1.00 0.00 C ATOM 859 C ASP A 65 1.908 -0.653 -0.112 1.00 0.00 C ATOM 860 O ASP A 65 2.847 -0.090 0.455 1.00 0.00 O ATOM 861 CB ASP A 65 0.239 1.181 -0.442 1.00 0.00 C ATOM 862 CG ASP A 65 -1.229 1.472 -0.686 1.00 0.00 C ATOM 863 OD1 ASP A 65 -2.079 0.792 -0.074 1.00 0.00 O ATOM 864 OD2 ASP A 65 -1.529 2.381 -1.490 1.00 0.00 O ATOM 0 H ASP A 65 0.144 0.696 1.999 1.00 0.00 H new ATOM 0 HA ASP A 65 -0.200 -0.921 -0.354 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.646 1.927 0.240 1.00 0.00 H new ATOM 0 HB3 ASP A 65 0.786 1.275 -1.380 1.00 0.00 H new ATOM 869 N GLN A 66 2.079 -1.661 -0.961 1.00 0.00 N ATOM 870 CA GLN A 66 3.407 -2.173 -1.284 1.00 0.00 C ATOM 871 C GLN A 66 4.081 -1.308 -2.342 1.00 0.00 C ATOM 872 O GLN A 66 3.436 -0.850 -3.284 1.00 0.00 O ATOM 873 CB GLN A 66 3.310 -3.618 -1.773 1.00 0.00 C ATOM 874 CG GLN A 66 4.549 -4.446 -1.483 1.00 0.00 C ATOM 875 CD GLN A 66 5.396 -4.681 -2.719 1.00 0.00 C ATOM 876 OE1 GLN A 66 6.669 -4.309 -2.643 1.00 0.00 O flip ATOM 877 NE2 GLN A 66 4.911 -5.188 -3.730 1.00 0.00 N flip ATOM 0 H GLN A 66 1.315 -2.140 -1.438 1.00 0.00 H new ATOM 0 HA GLN A 66 4.013 -2.142 -0.379 1.00 0.00 H new ATOM 0 HB2 GLN A 66 2.448 -4.094 -1.304 1.00 0.00 H new ATOM 0 HB3 GLN A 66 3.128 -3.617 -2.848 1.00 0.00 H new ATOM 0 HG2 GLN A 66 5.150 -3.942 -0.726 1.00 0.00 H new ATOM 0 HG3 GLN A 66 4.250 -5.407 -1.064 1.00 0.00 H new ATOM 0 HE21 GLN A 66 3.928 -5.459 -3.743 1.00 0.00 H new ATOM 0 HE22 GLN A 66 5.492 -5.338 -4.555 1.00 0.00 H new ATOM 886 N LEU A 67 5.382 -1.083 -2.182 1.00 0.00 N ATOM 887 CA LEU A 67 6.135 -0.266 -3.129 1.00 0.00 C ATOM 888 C LEU A 67 6.655 -1.106 -4.289 1.00 0.00 C ATOM 889 O LEU A 67 7.112 -2.232 -4.099 1.00 0.00 O ATOM 890 CB LEU A 67 7.303 0.424 -2.426 1.00 0.00 C ATOM 891 CG LEU A 67 6.910 1.352 -1.278 1.00 0.00 C ATOM 892 CD1 LEU A 67 8.116 1.648 -0.399 1.00 0.00 C ATOM 893 CD2 LEU A 67 6.306 2.641 -1.816 1.00 0.00 C ATOM 0 H LEU A 67 5.935 -1.453 -1.409 1.00 0.00 H new ATOM 0 HA LEU A 67 5.458 0.490 -3.527 1.00 0.00 H new ATOM 0 HB2 LEU A 67 7.978 -0.340 -2.040 1.00 0.00 H new ATOM 0 HB3 LEU A 67 7.862 1.000 -3.163 1.00 0.00 H new ATOM 0 HG LEU A 67 6.157 0.851 -0.670 1.00 0.00 H new ATOM 0 HD11 LEU A 67 7.820 2.310 0.414 1.00 0.00 H new ATOM 0 HD12 LEU A 67 8.502 0.716 0.014 1.00 0.00 H new ATOM 0 HD13 LEU A 67 8.891 2.130 -0.995 1.00 0.00 H new ATOM 0 HD21 LEU A 67 6.032 3.290 -0.984 1.00 0.00 H new ATOM 0 HD22 LEU A 67 7.035 3.149 -2.447 1.00 0.00 H new ATOM 0 HD23 LEU A 67 5.417 2.409 -2.403 1.00 0.00 H new ATOM 905 N ILE A 68 6.585 -0.544 -5.491 1.00 0.00 N ATOM 906 CA ILE A 68 7.051 -1.236 -6.687 1.00 0.00 C ATOM 907 C ILE A 68 8.155 -0.449 -7.386 1.00 0.00 C ATOM 908 O ILE A 68 9.042 -1.030 -8.010 1.00 0.00 O ATOM 909 CB ILE A 68 5.899 -1.477 -7.682 1.00 0.00 C ATOM 910 CG1 ILE A 68 4.673 -2.032 -6.955 1.00 0.00 C ATOM 911 CG2 ILE A 68 6.344 -2.427 -8.784 1.00 0.00 C ATOM 912 CD1 ILE A 68 4.903 -3.393 -6.337 1.00 0.00 C ATOM 0 H ILE A 68 6.210 0.389 -5.663 1.00 0.00 H new ATOM 0 HA ILE A 68 7.447 -2.198 -6.360 1.00 0.00 H new ATOM 0 HB ILE A 68 5.626 -0.525 -8.137 1.00 0.00 H new ATOM 0 HG12 ILE A 68 4.376 -1.332 -6.174 1.00 0.00 H new ATOM 0 HG13 ILE A 68 3.842 -2.096 -7.658 1.00 0.00 H new ATOM 0 HG21 ILE A 68 5.521 -2.588 -9.480 1.00 0.00 H new ATOM 0 HG22 ILE A 68 7.190 -1.994 -9.318 1.00 0.00 H new ATOM 0 HG23 ILE A 68 6.640 -3.380 -8.345 1.00 0.00 H new ATOM 0 HD11 ILE A 68 3.992 -3.725 -5.838 1.00 0.00 H new ATOM 0 HD12 ILE A 68 5.170 -4.106 -7.117 1.00 0.00 H new ATOM 0 HD13 ILE A 68 5.713 -3.330 -5.610 1.00 0.00 H new ATOM 924 N ALA A 69 8.094 0.877 -7.285 1.00 0.00 N ATOM 925 CA ALA A 69 9.093 1.730 -7.915 1.00 0.00 C ATOM 926 C ALA A 69 9.092 3.132 -7.315 1.00 0.00 C ATOM 927 O ALA A 69 8.039 3.737 -7.122 1.00 0.00 O ATOM 928 CB ALA A 69 8.848 1.800 -9.416 1.00 0.00 C ATOM 0 H ALA A 69 7.367 1.380 -6.776 1.00 0.00 H new ATOM 0 HA ALA A 69 10.073 1.291 -7.730 1.00 0.00 H new ATOM 0 HB1 ALA A 69 9.600 2.440 -9.878 1.00 0.00 H new ATOM 0 HB2 ALA A 69 8.912 0.799 -9.842 1.00 0.00 H new ATOM 0 HB3 ALA A 69 7.856 2.211 -9.604 1.00 0.00 H new ATOM 934 N VAL A 70 10.286 3.645 -7.032 1.00 0.00 N ATOM 935 CA VAL A 70 10.435 4.981 -6.466 1.00 0.00 C ATOM 936 C VAL A 70 11.298 5.850 -7.376 1.00 0.00 C ATOM 937 O VAL A 70 12.389 5.449 -7.779 1.00 0.00 O ATOM 938 CB VAL A 70 11.068 4.933 -5.061 1.00 0.00 C ATOM 939 CG1 VAL A 70 12.407 4.212 -5.104 1.00 0.00 C ATOM 940 CG2 VAL A 70 11.229 6.338 -4.494 1.00 0.00 C ATOM 0 H VAL A 70 11.166 3.154 -7.186 1.00 0.00 H new ATOM 0 HA VAL A 70 9.437 5.412 -6.382 1.00 0.00 H new ATOM 0 HB VAL A 70 10.401 4.377 -4.403 1.00 0.00 H new ATOM 0 HG11 VAL A 70 12.839 4.188 -4.104 1.00 0.00 H new ATOM 0 HG12 VAL A 70 12.260 3.193 -5.461 1.00 0.00 H new ATOM 0 HG13 VAL A 70 13.082 4.739 -5.778 1.00 0.00 H new ATOM 0 HG21 VAL A 70 11.677 6.281 -3.502 1.00 0.00 H new ATOM 0 HG22 VAL A 70 11.873 6.924 -5.150 1.00 0.00 H new ATOM 0 HG23 VAL A 70 10.252 6.816 -4.424 1.00 0.00 H new ATOM 950 N ASN A 71 10.800 7.040 -7.699 1.00 0.00 N ATOM 951 CA ASN A 71 11.526 7.965 -8.565 1.00 0.00 C ATOM 952 C ASN A 71 11.684 7.404 -9.978 1.00 0.00 C ATOM 953 O ASN A 71 12.473 7.916 -10.772 1.00 0.00 O ATOM 954 CB ASN A 71 12.905 8.276 -7.976 1.00 0.00 C ATOM 955 CG ASN A 71 12.905 9.534 -7.133 1.00 0.00 C ATOM 956 OD1 ASN A 71 12.874 10.648 -7.655 1.00 0.00 O ATOM 957 ND2 ASN A 71 12.940 9.360 -5.818 1.00 0.00 N ATOM 0 H ASN A 71 9.897 7.387 -7.375 1.00 0.00 H new ATOM 0 HA ASN A 71 10.942 8.884 -8.626 1.00 0.00 H new ATOM 0 HB2 ASN A 71 13.235 7.434 -7.367 1.00 0.00 H new ATOM 0 HB3 ASN A 71 13.626 8.385 -8.786 1.00 0.00 H new ATOM 0 HD21 ASN A 71 12.942 10.169 -5.196 1.00 0.00 H new ATOM 0 HD22 ASN A 71 12.965 8.418 -5.429 1.00 0.00 H new ATOM 964 N GLY A 72 10.928 6.353 -10.294 1.00 0.00 N ATOM 965 CA GLY A 72 11.008 5.755 -11.614 1.00 0.00 C ATOM 966 C GLY A 72 11.788 4.452 -11.629 1.00 0.00 C ATOM 967 O GLY A 72 11.720 3.697 -12.598 1.00 0.00 O ATOM 0 H GLY A 72 10.264 5.908 -9.660 1.00 0.00 H new ATOM 0 HA2 GLY A 72 10.000 5.573 -11.986 1.00 0.00 H new ATOM 0 HA3 GLY A 72 11.478 6.461 -12.299 1.00 0.00 H new ATOM 971 N GLU A 73 12.532 4.187 -10.558 1.00 0.00 N ATOM 972 CA GLU A 73 13.325 2.965 -10.466 1.00 0.00 C ATOM 973 C GLU A 73 12.608 1.907 -9.631 1.00 0.00 C ATOM 974 O GLU A 73 12.222 2.158 -8.489 1.00 0.00 O ATOM 975 CB GLU A 73 14.699 3.264 -9.862 1.00 0.00 C ATOM 976 CG GLU A 73 14.650 4.178 -8.649 1.00 0.00 C ATOM 977 CD GLU A 73 16.002 4.341 -7.985 1.00 0.00 C ATOM 978 OE1 GLU A 73 16.432 3.407 -7.275 1.00 0.00 O ATOM 979 OE2 GLU A 73 16.633 5.402 -8.174 1.00 0.00 O ATOM 0 H GLU A 73 12.602 4.799 -9.745 1.00 0.00 H new ATOM 0 HA GLU A 73 13.457 2.575 -11.475 1.00 0.00 H new ATOM 0 HB2 GLU A 73 15.173 2.324 -9.578 1.00 0.00 H new ATOM 0 HB3 GLU A 73 15.329 3.721 -10.625 1.00 0.00 H new ATOM 0 HG2 GLU A 73 14.278 5.157 -8.952 1.00 0.00 H new ATOM 0 HG3 GLU A 73 13.940 3.777 -7.925 1.00 0.00 H new ATOM 986 N SER A 74 12.434 0.724 -10.212 1.00 0.00 N ATOM 987 CA SER A 74 11.766 -0.376 -9.525 1.00 0.00 C ATOM 988 C SER A 74 12.680 -0.996 -8.474 1.00 0.00 C ATOM 989 O SER A 74 13.888 -0.757 -8.470 1.00 0.00 O ATOM 990 CB SER A 74 11.329 -1.442 -10.530 1.00 0.00 C ATOM 991 OG SER A 74 12.413 -2.280 -10.890 1.00 0.00 O ATOM 0 H SER A 74 12.746 0.503 -11.157 1.00 0.00 H new ATOM 0 HA SER A 74 10.885 0.024 -9.024 1.00 0.00 H new ATOM 0 HB2 SER A 74 10.528 -2.043 -10.101 1.00 0.00 H new ATOM 0 HB3 SER A 74 10.925 -0.962 -11.421 1.00 0.00 H new ATOM 0 HG SER A 74 12.106 -2.954 -11.532 1.00 0.00 H new ATOM 997 N LEU A 75 12.098 -1.790 -7.581 1.00 0.00 N ATOM 998 CA LEU A 75 12.865 -2.441 -6.521 1.00 0.00 C ATOM 999 C LEU A 75 12.582 -3.943 -6.474 1.00 0.00 C ATOM 1000 O LEU A 75 13.076 -4.644 -5.590 1.00 0.00 O ATOM 1001 CB LEU A 75 12.552 -1.811 -5.158 1.00 0.00 C ATOM 1002 CG LEU A 75 11.913 -0.417 -5.202 1.00 0.00 C ATOM 1003 CD1 LEU A 75 10.446 -0.488 -4.808 1.00 0.00 C ATOM 1004 CD2 LEU A 75 12.665 0.540 -4.287 1.00 0.00 C ATOM 0 H LEU A 75 11.100 -1.999 -7.569 1.00 0.00 H new ATOM 0 HA LEU A 75 13.922 -2.295 -6.745 1.00 0.00 H new ATOM 0 HB2 LEU A 75 11.885 -2.480 -4.614 1.00 0.00 H new ATOM 0 HB3 LEU A 75 13.478 -1.749 -4.586 1.00 0.00 H new ATOM 0 HG LEU A 75 11.975 -0.041 -6.223 1.00 0.00 H new ATOM 0 HD11 LEU A 75 10.011 0.511 -4.845 1.00 0.00 H new ATOM 0 HD12 LEU A 75 9.915 -1.142 -5.500 1.00 0.00 H new ATOM 0 HD13 LEU A 75 10.360 -0.884 -3.796 1.00 0.00 H new ATOM 0 HD21 LEU A 75 12.200 1.525 -4.329 1.00 0.00 H new ATOM 0 HD22 LEU A 75 12.632 0.166 -3.264 1.00 0.00 H new ATOM 0 HD23 LEU A 75 13.703 0.615 -4.612 1.00 0.00 H new ATOM 1016 N LEU A 76 11.787 -4.433 -7.421 1.00 0.00 N ATOM 1017 CA LEU A 76 11.447 -5.851 -7.473 1.00 0.00 C ATOM 1018 C LEU A 76 12.704 -6.710 -7.552 1.00 0.00 C ATOM 1019 O LEU A 76 12.800 -7.751 -6.903 1.00 0.00 O ATOM 1020 CB LEU A 76 10.545 -6.131 -8.678 1.00 0.00 C ATOM 1021 CG LEU A 76 9.347 -7.040 -8.396 1.00 0.00 C ATOM 1022 CD1 LEU A 76 9.789 -8.306 -7.676 1.00 0.00 C ATOM 1023 CD2 LEU A 76 8.299 -6.299 -7.579 1.00 0.00 C ATOM 0 H LEU A 76 11.367 -3.870 -8.161 1.00 0.00 H new ATOM 0 HA LEU A 76 10.913 -6.108 -6.558 1.00 0.00 H new ATOM 0 HB2 LEU A 76 10.177 -5.181 -9.065 1.00 0.00 H new ATOM 0 HB3 LEU A 76 11.147 -6.584 -9.465 1.00 0.00 H new ATOM 0 HG LEU A 76 8.903 -7.328 -9.349 1.00 0.00 H new ATOM 0 HD11 LEU A 76 8.922 -8.938 -7.485 1.00 0.00 H new ATOM 0 HD12 LEU A 76 10.503 -8.847 -8.297 1.00 0.00 H new ATOM 0 HD13 LEU A 76 10.260 -8.041 -6.729 1.00 0.00 H new ATOM 0 HD21 LEU A 76 7.453 -6.959 -7.387 1.00 0.00 H new ATOM 0 HD22 LEU A 76 8.734 -5.982 -6.631 1.00 0.00 H new ATOM 0 HD23 LEU A 76 7.958 -5.424 -8.133 1.00 0.00 H new ATOM 1035 N GLY A 77 13.661 -6.263 -8.354 1.00 0.00 N ATOM 1036 CA GLY A 77 14.904 -6.998 -8.510 1.00 0.00 C ATOM 1037 C GLY A 77 15.739 -7.009 -7.246 1.00 0.00 C ATOM 1038 O GLY A 77 16.540 -7.922 -7.033 1.00 0.00 O ATOM 0 H GLY A 77 13.600 -5.404 -8.900 1.00 0.00 H new ATOM 0 HA2 GLY A 77 14.680 -8.024 -8.802 1.00 0.00 H new ATOM 0 HA3 GLY A 77 15.484 -6.555 -9.320 1.00 0.00 H new ATOM 1042 N LYS A 78 15.559 -5.996 -6.405 1.00 0.00 N ATOM 1043 CA LYS A 78 16.307 -5.896 -5.157 1.00 0.00 C ATOM 1044 C LYS A 78 15.460 -6.331 -3.973 1.00 0.00 C ATOM 1045 O LYS A 78 14.244 -6.483 -4.079 1.00 0.00 O ATOM 1046 CB LYS A 78 16.811 -4.467 -4.945 1.00 0.00 C ATOM 1047 CG LYS A 78 15.702 -3.450 -4.731 1.00 0.00 C ATOM 1048 CD LYS A 78 16.256 -2.039 -4.616 1.00 0.00 C ATOM 1049 CE LYS A 78 17.062 -1.650 -5.845 1.00 0.00 C ATOM 1050 NZ LYS A 78 18.513 -1.527 -5.544 1.00 0.00 N ATOM 0 H LYS A 78 14.902 -5.233 -6.565 1.00 0.00 H new ATOM 0 HA LYS A 78 17.164 -6.566 -5.229 1.00 0.00 H new ATOM 0 HB2 LYS A 78 17.477 -4.451 -4.082 1.00 0.00 H new ATOM 0 HB3 LYS A 78 17.403 -4.168 -5.810 1.00 0.00 H new ATOM 0 HG2 LYS A 78 14.997 -3.499 -5.561 1.00 0.00 H new ATOM 0 HG3 LYS A 78 15.148 -3.699 -3.826 1.00 0.00 H new ATOM 0 HD2 LYS A 78 15.435 -1.335 -4.482 1.00 0.00 H new ATOM 0 HD3 LYS A 78 16.886 -1.966 -3.730 1.00 0.00 H new ATOM 0 HE2 LYS A 78 16.916 -2.397 -6.626 1.00 0.00 H new ATOM 0 HE3 LYS A 78 16.691 -0.703 -6.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 18.864 -0.612 -5.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 18.660 -1.585 -4.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 19.031 -2.298 -6.012 1.00 0.00 H new ATOM 1064 N ALA A 79 16.126 -6.535 -2.847 1.00 0.00 N ATOM 1065 CA ALA A 79 15.463 -6.961 -1.628 1.00 0.00 C ATOM 1066 C ALA A 79 14.678 -5.815 -0.998 1.00 0.00 C ATOM 1067 O ALA A 79 14.828 -4.659 -1.391 1.00 0.00 O ATOM 1068 CB ALA A 79 16.492 -7.504 -0.655 1.00 0.00 C ATOM 0 H ALA A 79 17.134 -6.411 -2.754 1.00 0.00 H new ATOM 0 HA ALA A 79 14.751 -7.749 -1.874 1.00 0.00 H new ATOM 0 HB1 ALA A 79 15.994 -7.824 0.260 1.00 0.00 H new ATOM 0 HB2 ALA A 79 17.005 -8.354 -1.105 1.00 0.00 H new ATOM 0 HB3 ALA A 79 17.217 -6.725 -0.420 1.00 0.00 H new ATOM 1074 N ASN A 80 13.837 -6.144 -0.022 1.00 0.00 N ATOM 1075 CA ASN A 80 13.027 -5.138 0.655 1.00 0.00 C ATOM 1076 C ASN A 80 13.905 -4.071 1.300 1.00 0.00 C ATOM 1077 O ASN A 80 13.688 -2.876 1.103 1.00 0.00 O ATOM 1078 CB ASN A 80 12.129 -5.787 1.712 1.00 0.00 C ATOM 1079 CG ASN A 80 12.848 -6.842 2.533 1.00 0.00 C ATOM 1080 OD1 ASN A 80 14.055 -6.764 2.747 1.00 0.00 O ATOM 1081 ND2 ASN A 80 12.103 -7.839 2.995 1.00 0.00 N ATOM 0 H ASN A 80 13.699 -7.096 0.317 1.00 0.00 H new ATOM 0 HA ASN A 80 12.397 -4.660 -0.095 1.00 0.00 H new ATOM 0 HB2 ASN A 80 11.745 -5.015 2.379 1.00 0.00 H new ATOM 0 HB3 ASN A 80 11.268 -6.241 1.221 1.00 0.00 H new ATOM 0 HD21 ASN A 80 12.530 -8.579 3.552 1.00 0.00 H new ATOM 0 HD22 ASN A 80 11.103 -7.865 2.793 1.00 0.00 H new ATOM 1088 N GLN A 81 14.897 -4.507 2.070 1.00 0.00 N ATOM 1089 CA GLN A 81 15.805 -3.584 2.740 1.00 0.00 C ATOM 1090 C GLN A 81 16.515 -2.700 1.722 1.00 0.00 C ATOM 1091 O GLN A 81 16.700 -1.500 1.939 1.00 0.00 O ATOM 1092 CB GLN A 81 16.833 -4.350 3.574 1.00 0.00 C ATOM 1093 CG GLN A 81 17.466 -5.521 2.843 1.00 0.00 C ATOM 1094 CD GLN A 81 18.796 -5.164 2.211 1.00 0.00 C ATOM 1095 OE1 GLN A 81 18.889 -5.334 0.898 1.00 0.00 O flip ATOM 1096 NE2 GLN A 81 19.726 -4.738 2.895 1.00 0.00 N flip ATOM 0 H GLN A 81 15.092 -5.493 2.245 1.00 0.00 H new ATOM 0 HA GLN A 81 15.217 -2.952 3.405 1.00 0.00 H new ATOM 0 HB2 GLN A 81 17.618 -3.662 3.887 1.00 0.00 H new ATOM 0 HB3 GLN A 81 16.351 -4.717 4.480 1.00 0.00 H new ATOM 0 HG2 GLN A 81 17.610 -6.346 3.541 1.00 0.00 H new ATOM 0 HG3 GLN A 81 16.784 -5.873 2.070 1.00 0.00 H new ATOM 0 HE21 GLN A 81 19.608 -4.624 3.902 1.00 0.00 H new ATOM 0 HE22 GLN A 81 20.615 -4.499 2.455 1.00 0.00 H new ATOM 1105 N GLU A 82 16.895 -3.300 0.601 1.00 0.00 N ATOM 1106 CA GLU A 82 17.568 -2.576 -0.465 1.00 0.00 C ATOM 1107 C GLU A 82 16.595 -1.625 -1.138 1.00 0.00 C ATOM 1108 O GLU A 82 16.967 -0.534 -1.570 1.00 0.00 O ATOM 1109 CB GLU A 82 18.150 -3.553 -1.491 1.00 0.00 C ATOM 1110 CG GLU A 82 19.667 -3.514 -1.578 1.00 0.00 C ATOM 1111 CD GLU A 82 20.164 -3.043 -2.931 1.00 0.00 C ATOM 1112 OE1 GLU A 82 20.128 -1.820 -3.183 1.00 0.00 O ATOM 1113 OE2 GLU A 82 20.589 -3.896 -3.738 1.00 0.00 O ATOM 0 H GLU A 82 16.747 -4.291 0.408 1.00 0.00 H new ATOM 0 HA GLU A 82 18.387 -2.000 -0.035 1.00 0.00 H new ATOM 0 HB2 GLU A 82 17.835 -4.565 -1.236 1.00 0.00 H new ATOM 0 HB3 GLU A 82 17.732 -3.327 -2.472 1.00 0.00 H new ATOM 0 HG2 GLU A 82 20.054 -2.853 -0.803 1.00 0.00 H new ATOM 0 HG3 GLU A 82 20.064 -4.509 -1.376 1.00 0.00 H new ATOM 1120 N ALA A 83 15.342 -2.053 -1.219 1.00 0.00 N ATOM 1121 CA ALA A 83 14.304 -1.246 -1.833 1.00 0.00 C ATOM 1122 C ALA A 83 13.993 -0.025 -0.979 1.00 0.00 C ATOM 1123 O ALA A 83 13.934 1.095 -1.481 1.00 0.00 O ATOM 1124 CB ALA A 83 13.055 -2.077 -2.068 1.00 0.00 C ATOM 0 H ALA A 83 15.023 -2.955 -0.866 1.00 0.00 H new ATOM 0 HA ALA A 83 14.667 -0.895 -2.799 1.00 0.00 H new ATOM 0 HB1 ALA A 83 12.287 -1.456 -2.529 1.00 0.00 H new ATOM 0 HB2 ALA A 83 13.292 -2.911 -2.728 1.00 0.00 H new ATOM 0 HB3 ALA A 83 12.689 -2.461 -1.116 1.00 0.00 H new ATOM 1130 N MET A 84 13.811 -0.246 0.319 1.00 0.00 N ATOM 1131 CA MET A 84 13.523 0.848 1.239 1.00 0.00 C ATOM 1132 C MET A 84 14.681 1.836 1.260 1.00 0.00 C ATOM 1133 O MET A 84 14.484 3.038 1.432 1.00 0.00 O ATOM 1134 CB MET A 84 13.253 0.319 2.646 1.00 0.00 C ATOM 1135 CG MET A 84 14.370 -0.547 3.203 1.00 0.00 C ATOM 1136 SD MET A 84 14.009 -1.158 4.861 1.00 0.00 S ATOM 1137 CE MET A 84 12.246 -1.455 4.739 1.00 0.00 C ATOM 0 H MET A 84 13.857 -1.167 0.755 1.00 0.00 H new ATOM 0 HA MET A 84 12.627 1.361 0.890 1.00 0.00 H new ATOM 0 HB2 MET A 84 13.092 1.163 3.316 1.00 0.00 H new ATOM 0 HB3 MET A 84 12.329 -0.259 2.635 1.00 0.00 H new ATOM 0 HG2 MET A 84 14.537 -1.393 2.536 1.00 0.00 H new ATOM 0 HG3 MET A 84 15.295 0.029 3.225 1.00 0.00 H new ATOM 0 HE1 MET A 84 11.878 -1.854 5.684 1.00 0.00 H new ATOM 0 HE2 MET A 84 11.734 -0.519 4.516 1.00 0.00 H new ATOM 0 HE3 MET A 84 12.052 -2.173 3.942 1.00 0.00 H new ATOM 1147 N GLU A 85 15.890 1.318 1.053 1.00 0.00 N ATOM 1148 CA GLU A 85 17.081 2.156 1.018 1.00 0.00 C ATOM 1149 C GLU A 85 17.090 2.950 -0.281 1.00 0.00 C ATOM 1150 O GLU A 85 17.538 4.095 -0.330 1.00 0.00 O ATOM 1151 CB GLU A 85 18.344 1.287 1.139 1.00 0.00 C ATOM 1152 CG GLU A 85 19.530 1.783 0.325 1.00 0.00 C ATOM 1153 CD GLU A 85 20.853 1.239 0.827 1.00 0.00 C ATOM 1154 OE1 GLU A 85 21.031 1.156 2.062 1.00 0.00 O ATOM 1155 OE2 GLU A 85 21.710 0.893 -0.013 1.00 0.00 O ATOM 0 H GLU A 85 16.068 0.324 0.908 1.00 0.00 H new ATOM 0 HA GLU A 85 17.070 2.849 1.859 1.00 0.00 H new ATOM 0 HB2 GLU A 85 18.635 1.235 2.188 1.00 0.00 H new ATOM 0 HB3 GLU A 85 18.103 0.272 0.825 1.00 0.00 H new ATOM 0 HG2 GLU A 85 19.396 1.495 -0.718 1.00 0.00 H new ATOM 0 HG3 GLU A 85 19.555 2.872 0.354 1.00 0.00 H new ATOM 1162 N THR A 86 16.570 2.323 -1.330 1.00 0.00 N ATOM 1163 CA THR A 86 16.482 2.942 -2.638 1.00 0.00 C ATOM 1164 C THR A 86 15.541 4.144 -2.592 1.00 0.00 C ATOM 1165 O THR A 86 15.758 5.141 -3.277 1.00 0.00 O ATOM 1166 CB THR A 86 16.003 1.913 -3.669 1.00 0.00 C ATOM 1167 OG1 THR A 86 17.079 1.096 -4.096 1.00 0.00 O ATOM 1168 CG2 THR A 86 15.377 2.522 -4.904 1.00 0.00 C ATOM 0 H THR A 86 16.200 1.373 -1.293 1.00 0.00 H new ATOM 0 HA THR A 86 17.470 3.296 -2.934 1.00 0.00 H new ATOM 0 HB THR A 86 15.238 1.335 -3.151 1.00 0.00 H new ATOM 0 HG1 THR A 86 17.272 0.424 -3.409 1.00 0.00 H new ATOM 0 HG21 THR A 86 15.065 1.728 -5.583 1.00 0.00 H new ATOM 0 HG22 THR A 86 14.509 3.116 -4.617 1.00 0.00 H new ATOM 0 HG23 THR A 86 16.105 3.161 -5.403 1.00 0.00 H new ATOM 1176 N LEU A 87 14.506 4.045 -1.763 1.00 0.00 N ATOM 1177 CA LEU A 87 13.547 5.138 -1.617 1.00 0.00 C ATOM 1178 C LEU A 87 14.169 6.233 -0.774 1.00 0.00 C ATOM 1179 O LEU A 87 13.951 7.420 -1.005 1.00 0.00 O ATOM 1180 CB LEU A 87 12.231 4.673 -0.968 1.00 0.00 C ATOM 1181 CG LEU A 87 12.016 3.161 -0.877 1.00 0.00 C ATOM 1182 CD1 LEU A 87 10.833 2.848 0.027 1.00 0.00 C ATOM 1183 CD2 LEU A 87 11.803 2.567 -2.260 1.00 0.00 C ATOM 0 H LEU A 87 14.310 3.227 -1.186 1.00 0.00 H new ATOM 0 HA LEU A 87 13.307 5.510 -2.613 1.00 0.00 H new ATOM 0 HB2 LEU A 87 12.182 5.087 0.039 1.00 0.00 H new ATOM 0 HB3 LEU A 87 11.402 5.103 -1.530 1.00 0.00 H new ATOM 0 HG LEU A 87 12.910 2.710 -0.446 1.00 0.00 H new ATOM 0 HD11 LEU A 87 10.693 1.768 0.082 1.00 0.00 H new ATOM 0 HD12 LEU A 87 11.025 3.240 1.026 1.00 0.00 H new ATOM 0 HD13 LEU A 87 9.933 3.311 -0.378 1.00 0.00 H new ATOM 0 HD21 LEU A 87 11.652 1.491 -2.174 1.00 0.00 H new ATOM 0 HD22 LEU A 87 10.925 3.021 -2.720 1.00 0.00 H new ATOM 0 HD23 LEU A 87 12.679 2.762 -2.879 1.00 0.00 H new ATOM 1195 N ARG A 88 14.953 5.809 0.204 1.00 0.00 N ATOM 1196 CA ARG A 88 15.636 6.718 1.099 1.00 0.00 C ATOM 1197 C ARG A 88 16.557 7.652 0.324 1.00 0.00 C ATOM 1198 O ARG A 88 16.493 8.873 0.474 1.00 0.00 O ATOM 1199 CB ARG A 88 16.434 5.911 2.119 1.00 0.00 C ATOM 1200 CG ARG A 88 16.041 6.206 3.552 1.00 0.00 C ATOM 1201 CD ARG A 88 17.015 5.584 4.541 1.00 0.00 C ATOM 1202 NE ARG A 88 17.482 6.552 5.532 1.00 0.00 N ATOM 1203 CZ ARG A 88 18.442 7.445 5.301 1.00 0.00 C ATOM 1204 NH1 ARG A 88 19.038 7.497 4.117 1.00 0.00 N ATOM 1205 NH2 ARG A 88 18.806 8.289 6.256 1.00 0.00 N ATOM 0 H ARG A 88 15.131 4.823 0.397 1.00 0.00 H new ATOM 0 HA ARG A 88 14.898 7.331 1.616 1.00 0.00 H new ATOM 0 HB2 ARG A 88 16.294 4.848 1.922 1.00 0.00 H new ATOM 0 HB3 ARG A 88 17.496 6.122 1.989 1.00 0.00 H new ATOM 0 HG2 ARG A 88 16.006 7.285 3.705 1.00 0.00 H new ATOM 0 HG3 ARG A 88 15.038 5.824 3.740 1.00 0.00 H new ATOM 0 HD2 ARG A 88 16.532 4.749 5.049 1.00 0.00 H new ATOM 0 HD3 ARG A 88 17.870 5.177 4.001 1.00 0.00 H new ATOM 0 HE ARG A 88 17.047 6.543 6.454 1.00 0.00 H new ATOM 0 HH11 ARG A 88 18.761 6.851 3.378 1.00 0.00 H new ATOM 0 HH12 ARG A 88 19.773 8.183 3.946 1.00 0.00 H new ATOM 0 HH21 ARG A 88 18.351 8.254 7.168 1.00 0.00 H new ATOM 0 HH22 ARG A 88 19.542 8.973 6.079 1.00 0.00 H new ATOM 1219 N ARG A 89 17.408 7.069 -0.508 1.00 0.00 N ATOM 1220 CA ARG A 89 18.338 7.843 -1.314 1.00 0.00 C ATOM 1221 C ARG A 89 17.597 8.565 -2.437 1.00 0.00 C ATOM 1222 O ARG A 89 17.834 9.743 -2.697 1.00 0.00 O ATOM 1223 CB ARG A 89 19.444 6.924 -1.867 1.00 0.00 C ATOM 1224 CG ARG A 89 19.469 6.780 -3.384 1.00 0.00 C ATOM 1225 CD ARG A 89 18.497 5.711 -3.858 1.00 0.00 C ATOM 1226 NE ARG A 89 19.177 4.615 -4.545 1.00 0.00 N ATOM 1227 CZ ARG A 89 19.630 4.692 -5.794 1.00 0.00 C ATOM 1228 NH1 ARG A 89 19.477 5.807 -6.497 1.00 0.00 N ATOM 1229 NH2 ARG A 89 20.237 3.648 -6.343 1.00 0.00 N ATOM 0 H ARG A 89 17.473 6.060 -0.642 1.00 0.00 H new ATOM 0 HA ARG A 89 18.809 8.602 -0.689 1.00 0.00 H new ATOM 0 HB2 ARG A 89 20.410 7.307 -1.538 1.00 0.00 H new ATOM 0 HB3 ARG A 89 19.326 5.934 -1.426 1.00 0.00 H new ATOM 0 HG2 ARG A 89 19.215 7.734 -3.845 1.00 0.00 H new ATOM 0 HG3 ARG A 89 20.478 6.526 -3.710 1.00 0.00 H new ATOM 0 HD2 ARG A 89 17.947 5.317 -3.003 1.00 0.00 H new ATOM 0 HD3 ARG A 89 17.764 6.160 -4.529 1.00 0.00 H new ATOM 0 HE ARG A 89 19.312 3.740 -4.038 1.00 0.00 H new ATOM 0 HH11 ARG A 89 19.010 6.612 -6.081 1.00 0.00 H new ATOM 0 HH12 ARG A 89 19.827 5.859 -7.454 1.00 0.00 H new ATOM 0 HH21 ARG A 89 20.356 2.788 -5.808 1.00 0.00 H new ATOM 0 HH22 ARG A 89 20.585 3.705 -7.300 1.00 0.00 H new ATOM 1243 N SER A 90 16.699 7.847 -3.103 1.00 0.00 N ATOM 1244 CA SER A 90 15.932 8.422 -4.200 1.00 0.00 C ATOM 1245 C SER A 90 15.024 9.547 -3.717 1.00 0.00 C ATOM 1246 O SER A 90 14.739 10.482 -4.463 1.00 0.00 O ATOM 1247 CB SER A 90 15.100 7.343 -4.893 1.00 0.00 C ATOM 1248 OG SER A 90 13.963 7.007 -4.126 1.00 0.00 O ATOM 0 H SER A 90 16.486 6.870 -2.903 1.00 0.00 H new ATOM 0 HA SER A 90 16.642 8.841 -4.913 1.00 0.00 H new ATOM 0 HB2 SER A 90 14.788 7.695 -5.876 1.00 0.00 H new ATOM 0 HB3 SER A 90 15.711 6.454 -5.052 1.00 0.00 H new ATOM 0 HG SER A 90 14.154 7.154 -3.176 1.00 0.00 H new ATOM 1254 N MET A 91 14.565 9.459 -2.472 1.00 0.00 N ATOM 1255 CA MET A 91 13.684 10.484 -1.921 1.00 0.00 C ATOM 1256 C MET A 91 14.474 11.612 -1.262 1.00 0.00 C ATOM 1257 O MET A 91 13.967 12.721 -1.103 1.00 0.00 O ATOM 1258 CB MET A 91 12.711 9.867 -0.914 1.00 0.00 C ATOM 1259 CG MET A 91 13.314 9.601 0.458 1.00 0.00 C ATOM 1260 SD MET A 91 12.447 8.299 1.360 1.00 0.00 S ATOM 1261 CE MET A 91 10.800 8.445 0.673 1.00 0.00 C ATOM 0 H MET A 91 14.785 8.697 -1.831 1.00 0.00 H new ATOM 0 HA MET A 91 13.119 10.911 -2.750 1.00 0.00 H new ATOM 0 HB2 MET A 91 11.855 10.532 -0.799 1.00 0.00 H new ATOM 0 HB3 MET A 91 12.333 8.929 -1.320 1.00 0.00 H new ATOM 0 HG2 MET A 91 14.361 9.322 0.342 1.00 0.00 H new ATOM 0 HG3 MET A 91 13.292 10.520 1.044 1.00 0.00 H new ATOM 0 HE1 MET A 91 10.076 8.028 1.373 1.00 0.00 H new ATOM 0 HE2 MET A 91 10.571 9.496 0.497 1.00 0.00 H new ATOM 0 HE3 MET A 91 10.749 7.900 -0.269 1.00 0.00 H new ATOM 1271 N SER A 92 15.710 11.325 -0.870 1.00 0.00 N ATOM 1272 CA SER A 92 16.549 12.322 -0.214 1.00 0.00 C ATOM 1273 C SER A 92 17.785 12.662 -1.044 1.00 0.00 C ATOM 1274 O SER A 92 18.825 13.022 -0.492 1.00 0.00 O ATOM 1275 CB SER A 92 16.976 11.819 1.166 1.00 0.00 C ATOM 1276 OG SER A 92 16.733 12.796 2.163 1.00 0.00 O ATOM 0 H SER A 92 16.152 10.414 -0.994 1.00 0.00 H new ATOM 0 HA SER A 92 15.958 13.232 -0.109 1.00 0.00 H new ATOM 0 HB2 SER A 92 16.433 10.906 1.408 1.00 0.00 H new ATOM 0 HB3 SER A 92 18.036 11.565 1.152 1.00 0.00 H new ATOM 0 HG SER A 92 17.013 12.449 3.036 1.00 0.00 H new ATOM 1282 N THR A 93 17.680 12.543 -2.364 1.00 0.00 N ATOM 1283 CA THR A 93 18.816 12.841 -3.231 1.00 0.00 C ATOM 1284 C THR A 93 18.417 13.005 -4.703 1.00 0.00 C ATOM 1285 O THR A 93 19.139 13.638 -5.472 1.00 0.00 O ATOM 1286 CB THR A 93 19.873 11.744 -3.073 1.00 0.00 C ATOM 1287 OG1 THR A 93 21.075 12.277 -2.548 1.00 0.00 O ATOM 1288 CG2 THR A 93 20.218 11.014 -4.355 1.00 0.00 C ATOM 0 H THR A 93 16.834 12.247 -2.851 1.00 0.00 H new ATOM 0 HA THR A 93 19.227 13.802 -2.921 1.00 0.00 H new ATOM 0 HB THR A 93 19.418 11.025 -2.392 1.00 0.00 H new ATOM 0 HG1 THR A 93 21.737 11.560 -2.453 1.00 0.00 H new ATOM 0 HG21 THR A 93 20.974 10.256 -4.150 1.00 0.00 H new ATOM 0 HG22 THR A 93 19.323 10.536 -4.754 1.00 0.00 H new ATOM 0 HG23 THR A 93 20.606 11.724 -5.085 1.00 0.00 H new ATOM 1296 N GLU A 94 17.290 12.427 -5.103 1.00 0.00 N ATOM 1297 CA GLU A 94 16.847 12.526 -6.491 1.00 0.00 C ATOM 1298 C GLU A 94 15.461 13.154 -6.587 1.00 0.00 C ATOM 1299 O GLU A 94 15.264 14.147 -7.288 1.00 0.00 O ATOM 1300 CB GLU A 94 16.846 11.147 -7.145 1.00 0.00 C ATOM 1301 CG GLU A 94 18.182 10.435 -7.041 1.00 0.00 C ATOM 1302 CD GLU A 94 18.433 9.491 -8.200 1.00 0.00 C ATOM 1303 OE1 GLU A 94 18.283 9.924 -9.363 1.00 0.00 O ATOM 1304 OE2 GLU A 94 18.780 8.318 -7.946 1.00 0.00 O ATOM 0 H GLU A 94 16.672 11.890 -4.495 1.00 0.00 H new ATOM 0 HA GLU A 94 17.547 13.172 -7.021 1.00 0.00 H new ATOM 0 HB2 GLU A 94 16.076 10.532 -6.679 1.00 0.00 H new ATOM 0 HB3 GLU A 94 16.578 11.251 -8.196 1.00 0.00 H new ATOM 0 HG2 GLU A 94 18.981 11.175 -7.001 1.00 0.00 H new ATOM 0 HG3 GLU A 94 18.219 9.875 -6.107 1.00 0.00 H new ATOM 1311 N GLY A 95 14.510 12.569 -5.877 1.00 0.00 N ATOM 1312 CA GLY A 95 13.153 13.080 -5.890 1.00 0.00 C ATOM 1313 C GLY A 95 13.055 14.447 -5.246 1.00 0.00 C ATOM 1314 O GLY A 95 12.168 15.234 -5.574 1.00 0.00 O ATOM 0 H GLY A 95 14.652 11.747 -5.290 1.00 0.00 H new ATOM 0 HA2 GLY A 95 12.797 13.138 -6.919 1.00 0.00 H new ATOM 0 HA3 GLY A 95 12.499 12.384 -5.365 1.00 0.00 H new ATOM 1318 N ASN A 96 13.974 14.727 -4.332 1.00 0.00 N ATOM 1319 CA ASN A 96 13.998 16.008 -3.642 1.00 0.00 C ATOM 1320 C ASN A 96 14.598 17.083 -4.546 1.00 0.00 C ATOM 1321 O ASN A 96 14.166 18.236 -4.528 1.00 0.00 O ATOM 1322 CB ASN A 96 14.792 15.880 -2.333 1.00 0.00 C ATOM 1323 CG ASN A 96 15.343 17.200 -1.826 1.00 0.00 C ATOM 1324 OD1 ASN A 96 14.585 18.271 -2.022 1.00 0.00 O flip ATOM 1325 ND2 ASN A 96 16.437 17.256 -1.264 1.00 0.00 N flip ATOM 0 H ASN A 96 14.713 14.083 -4.051 1.00 0.00 H new ATOM 0 HA ASN A 96 12.978 16.305 -3.398 1.00 0.00 H new ATOM 0 HB2 ASN A 96 14.148 15.447 -1.568 1.00 0.00 H new ATOM 0 HB3 ASN A 96 15.618 15.185 -2.485 1.00 0.00 H new ATOM 0 HD21 ASN A 96 16.988 16.407 -1.134 1.00 0.00 H new ATOM 0 HD22 ASN A 96 16.793 18.151 -0.928 1.00 0.00 H new ATOM 1332 N LYS A 97 15.590 16.693 -5.340 1.00 0.00 N ATOM 1333 CA LYS A 97 16.251 17.617 -6.261 1.00 0.00 C ATOM 1334 C LYS A 97 15.229 18.460 -7.015 1.00 0.00 C ATOM 1335 O LYS A 97 15.397 19.669 -7.171 1.00 0.00 O ATOM 1336 CB LYS A 97 17.120 16.842 -7.253 1.00 0.00 C ATOM 1337 CG LYS A 97 18.024 15.814 -6.593 1.00 0.00 C ATOM 1338 CD LYS A 97 18.809 16.422 -5.441 1.00 0.00 C ATOM 1339 CE LYS A 97 19.889 17.359 -5.949 1.00 0.00 C ATOM 1340 NZ LYS A 97 20.510 18.149 -4.849 1.00 0.00 N ATOM 0 H LYS A 97 15.956 15.741 -5.366 1.00 0.00 H new ATOM 0 HA LYS A 97 16.883 18.285 -5.676 1.00 0.00 H new ATOM 0 HB2 LYS A 97 16.475 16.338 -7.973 1.00 0.00 H new ATOM 0 HB3 LYS A 97 17.734 17.547 -7.814 1.00 0.00 H new ATOM 0 HG2 LYS A 97 17.423 14.981 -6.226 1.00 0.00 H new ATOM 0 HG3 LYS A 97 18.715 15.408 -7.332 1.00 0.00 H new ATOM 0 HD2 LYS A 97 18.132 16.966 -4.783 1.00 0.00 H new ATOM 0 HD3 LYS A 97 19.262 15.628 -4.847 1.00 0.00 H new ATOM 0 HE2 LYS A 97 20.660 16.781 -6.459 1.00 0.00 H new ATOM 0 HE3 LYS A 97 19.461 18.039 -6.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 21.242 18.775 -5.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 19.781 18.722 -4.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 20.942 17.502 -4.158 1.00 0.00 H new ATOM 1354 N ARG A 98 14.165 17.811 -7.465 1.00 0.00 N ATOM 1355 CA ARG A 98 13.103 18.495 -8.190 1.00 0.00 C ATOM 1356 C ARG A 98 12.048 19.021 -7.222 1.00 0.00 C ATOM 1357 O ARG A 98 11.333 19.975 -7.527 1.00 0.00 O ATOM 1358 CB ARG A 98 12.460 17.555 -9.208 1.00 0.00 C ATOM 1359 CG ARG A 98 12.077 16.209 -8.625 1.00 0.00 C ATOM 1360 CD ARG A 98 12.958 15.093 -9.163 1.00 0.00 C ATOM 1361 NE ARG A 98 12.239 14.228 -10.096 1.00 0.00 N ATOM 1362 CZ ARG A 98 12.754 13.121 -10.627 1.00 0.00 C ATOM 1363 NH1 ARG A 98 13.988 12.741 -10.318 1.00 0.00 N ATOM 1364 NH2 ARG A 98 12.034 12.391 -11.468 1.00 0.00 N ATOM 0 H ARG A 98 14.014 16.810 -7.341 1.00 0.00 H new ATOM 0 HA ARG A 98 13.541 19.340 -8.722 1.00 0.00 H new ATOM 0 HB2 ARG A 98 11.570 18.031 -9.620 1.00 0.00 H new ATOM 0 HB3 ARG A 98 13.151 17.401 -10.037 1.00 0.00 H new ATOM 0 HG2 ARG A 98 12.159 16.246 -7.539 1.00 0.00 H new ATOM 0 HG3 ARG A 98 11.034 15.994 -8.859 1.00 0.00 H new ATOM 0 HD2 ARG A 98 13.825 15.525 -9.664 1.00 0.00 H new ATOM 0 HD3 ARG A 98 13.335 14.496 -8.332 1.00 0.00 H new ATOM 0 HE ARG A 98 11.287 14.487 -10.355 1.00 0.00 H new ATOM 0 HH11 ARG A 98 14.546 13.298 -9.671 1.00 0.00 H new ATOM 0 HH12 ARG A 98 14.378 11.892 -10.728 1.00 0.00 H new ATOM 0 HH21 ARG A 98 11.085 12.677 -11.708 1.00 0.00 H new ATOM 0 HH22 ARG A 98 12.429 11.543 -11.874 1.00 0.00 H new ATOM 1378 N GLY A 99 11.958 18.391 -6.052 1.00 0.00 N ATOM 1379 CA GLY A 99 10.991 18.811 -5.056 1.00 0.00 C ATOM 1380 C GLY A 99 9.886 17.794 -4.842 1.00 0.00 C ATOM 1381 O GLY A 99 8.972 18.028 -4.052 1.00 0.00 O ATOM 0 H GLY A 99 12.538 17.598 -5.778 1.00 0.00 H new ATOM 0 HA2 GLY A 99 11.504 18.988 -4.111 1.00 0.00 H new ATOM 0 HA3 GLY A 99 10.551 19.760 -5.362 1.00 0.00 H new ATOM 1385 N MET A 100 9.962 16.663 -5.543 1.00 0.00 N ATOM 1386 CA MET A 100 8.951 15.625 -5.414 1.00 0.00 C ATOM 1387 C MET A 100 9.419 14.303 -6.013 1.00 0.00 C ATOM 1388 O MET A 100 10.062 14.271 -7.063 1.00 0.00 O ATOM 1389 CB MET A 100 7.658 16.073 -6.088 1.00 0.00 C ATOM 1390 CG MET A 100 7.757 16.146 -7.601 1.00 0.00 C ATOM 1391 SD MET A 100 6.704 14.940 -8.431 1.00 0.00 S ATOM 1392 CE MET A 100 7.818 13.542 -8.544 1.00 0.00 C ATOM 0 H MET A 100 10.710 16.447 -6.201 1.00 0.00 H new ATOM 0 HA MET A 100 8.773 15.463 -4.351 1.00 0.00 H new ATOM 0 HB2 MET A 100 6.859 15.383 -5.817 1.00 0.00 H new ATOM 0 HB3 MET A 100 7.378 17.053 -5.703 1.00 0.00 H new ATOM 0 HG2 MET A 100 7.483 17.148 -7.930 1.00 0.00 H new ATOM 0 HG3 MET A 100 8.792 15.984 -7.901 1.00 0.00 H new ATOM 0 HE1 MET A 100 7.422 12.818 -9.256 1.00 0.00 H new ATOM 0 HE2 MET A 100 8.797 13.883 -8.880 1.00 0.00 H new ATOM 0 HE3 MET A 100 7.914 13.073 -7.565 1.00 0.00 H new ATOM 1402 N ILE A 101 9.088 13.213 -5.328 1.00 0.00 N ATOM 1403 CA ILE A 101 9.460 11.876 -5.770 1.00 0.00 C ATOM 1404 C ILE A 101 8.222 11.059 -6.137 1.00 0.00 C ATOM 1405 O ILE A 101 7.251 11.025 -5.384 1.00 0.00 O ATOM 1406 CB ILE A 101 10.273 11.131 -4.677 1.00 0.00 C ATOM 1407 CG1 ILE A 101 9.669 9.756 -4.361 1.00 0.00 C ATOM 1408 CG2 ILE A 101 10.366 11.965 -3.407 1.00 0.00 C ATOM 1409 CD1 ILE A 101 10.401 9.012 -3.266 1.00 0.00 C ATOM 0 H ILE A 101 8.558 13.232 -4.457 1.00 0.00 H new ATOM 0 HA ILE A 101 10.086 11.987 -6.656 1.00 0.00 H new ATOM 0 HB ILE A 101 11.277 10.976 -5.071 1.00 0.00 H new ATOM 0 HG12 ILE A 101 8.627 9.884 -4.068 1.00 0.00 H new ATOM 0 HG13 ILE A 101 9.673 9.149 -5.267 1.00 0.00 H new ATOM 0 HG21 ILE A 101 10.940 11.422 -2.656 1.00 0.00 H new ATOM 0 HG22 ILE A 101 10.861 12.911 -3.628 1.00 0.00 H new ATOM 0 HG23 ILE A 101 9.364 12.160 -3.026 1.00 0.00 H new ATOM 0 HD11 ILE A 101 9.919 8.049 -3.096 1.00 0.00 H new ATOM 0 HD12 ILE A 101 11.437 8.852 -3.565 1.00 0.00 H new ATOM 0 HD13 ILE A 101 10.375 9.598 -2.347 1.00 0.00 H new ATOM 1421 N GLN A 102 8.269 10.387 -7.281 1.00 0.00 N ATOM 1422 CA GLN A 102 7.151 9.561 -7.712 1.00 0.00 C ATOM 1423 C GLN A 102 7.144 8.255 -6.924 1.00 0.00 C ATOM 1424 O GLN A 102 8.195 7.780 -6.493 1.00 0.00 O ATOM 1425 CB GLN A 102 7.230 9.279 -9.216 1.00 0.00 C ATOM 1426 CG GLN A 102 8.390 8.381 -9.610 1.00 0.00 C ATOM 1427 CD GLN A 102 7.944 6.986 -10.001 1.00 0.00 C ATOM 1428 OE1 GLN A 102 7.498 6.756 -11.125 1.00 0.00 O ATOM 1429 NE2 GLN A 102 8.061 6.046 -9.069 1.00 0.00 N ATOM 0 H GLN A 102 9.063 10.398 -7.921 1.00 0.00 H new ATOM 0 HA GLN A 102 6.223 10.099 -7.520 1.00 0.00 H new ATOM 0 HB2 GLN A 102 6.298 8.816 -9.539 1.00 0.00 H new ATOM 0 HB3 GLN A 102 7.317 10.225 -9.750 1.00 0.00 H new ATOM 0 HG2 GLN A 102 8.927 8.833 -10.444 1.00 0.00 H new ATOM 0 HG3 GLN A 102 9.091 8.314 -8.778 1.00 0.00 H new ATOM 0 HE21 GLN A 102 8.436 6.282 -8.151 1.00 0.00 H new ATOM 0 HE22 GLN A 102 7.776 5.088 -9.272 1.00 0.00 H new ATOM 1438 N LEU A 103 5.964 7.683 -6.716 1.00 0.00 N ATOM 1439 CA LEU A 103 5.854 6.446 -5.954 1.00 0.00 C ATOM 1440 C LEU A 103 4.859 5.472 -6.573 1.00 0.00 C ATOM 1441 O LEU A 103 3.652 5.713 -6.568 1.00 0.00 O ATOM 1442 CB LEU A 103 5.432 6.754 -4.518 1.00 0.00 C ATOM 1443 CG LEU A 103 6.577 7.095 -3.564 1.00 0.00 C ATOM 1444 CD1 LEU A 103 6.283 8.388 -2.821 1.00 0.00 C ATOM 1445 CD2 LEU A 103 6.816 5.953 -2.591 1.00 0.00 C ATOM 0 H LEU A 103 5.078 8.052 -7.061 1.00 0.00 H new ATOM 0 HA LEU A 103 6.836 5.973 -5.966 1.00 0.00 H new ATOM 0 HB2 LEU A 103 4.731 7.589 -4.533 1.00 0.00 H new ATOM 0 HB3 LEU A 103 4.894 5.893 -4.121 1.00 0.00 H new ATOM 0 HG LEU A 103 7.486 7.239 -4.149 1.00 0.00 H new ATOM 0 HD11 LEU A 103 7.108 8.616 -2.146 1.00 0.00 H new ATOM 0 HD12 LEU A 103 6.165 9.201 -3.538 1.00 0.00 H new ATOM 0 HD13 LEU A 103 5.364 8.276 -2.245 1.00 0.00 H new ATOM 0 HD21 LEU A 103 7.634 6.213 -1.919 1.00 0.00 H new ATOM 0 HD22 LEU A 103 5.911 5.775 -2.009 1.00 0.00 H new ATOM 0 HD23 LEU A 103 7.074 5.051 -3.145 1.00 0.00 H new ATOM 1457 N ILE A 104 5.373 4.355 -7.072 1.00 0.00 N ATOM 1458 CA ILE A 104 4.530 3.324 -7.657 1.00 0.00 C ATOM 1459 C ILE A 104 4.296 2.220 -6.633 1.00 0.00 C ATOM 1460 O ILE A 104 5.227 1.513 -6.250 1.00 0.00 O ATOM 1461 CB ILE A 104 5.166 2.717 -8.924 1.00 0.00 C ATOM 1462 CG1 ILE A 104 5.500 3.819 -9.932 1.00 0.00 C ATOM 1463 CG2 ILE A 104 4.238 1.685 -9.550 1.00 0.00 C ATOM 1464 CD1 ILE A 104 6.547 3.413 -10.947 1.00 0.00 C ATOM 0 H ILE A 104 6.370 4.141 -7.083 1.00 0.00 H new ATOM 0 HA ILE A 104 3.585 3.786 -7.942 1.00 0.00 H new ATOM 0 HB ILE A 104 6.091 2.216 -8.638 1.00 0.00 H new ATOM 0 HG12 ILE A 104 4.590 4.108 -10.457 1.00 0.00 H new ATOM 0 HG13 ILE A 104 5.850 4.699 -9.393 1.00 0.00 H new ATOM 0 HG21 ILE A 104 4.706 1.269 -10.442 1.00 0.00 H new ATOM 0 HG22 ILE A 104 4.047 0.885 -8.834 1.00 0.00 H new ATOM 0 HG23 ILE A 104 3.296 2.161 -9.822 1.00 0.00 H new ATOM 0 HD11 ILE A 104 6.734 4.243 -11.629 1.00 0.00 H new ATOM 0 HD12 ILE A 104 7.471 3.152 -10.432 1.00 0.00 H new ATOM 0 HD13 ILE A 104 6.191 2.552 -11.512 1.00 0.00 H new ATOM 1476 N VAL A 105 3.056 2.087 -6.181 1.00 0.00 N ATOM 1477 CA VAL A 105 2.719 1.080 -5.185 1.00 0.00 C ATOM 1478 C VAL A 105 1.535 0.229 -5.630 1.00 0.00 C ATOM 1479 O VAL A 105 0.776 0.616 -6.517 1.00 0.00 O ATOM 1480 CB VAL A 105 2.387 1.727 -3.827 1.00 0.00 C ATOM 1481 CG1 VAL A 105 3.586 2.495 -3.292 1.00 0.00 C ATOM 1482 CG2 VAL A 105 1.173 2.637 -3.949 1.00 0.00 C ATOM 0 H VAL A 105 2.270 2.661 -6.487 1.00 0.00 H new ATOM 0 HA VAL A 105 3.596 0.442 -5.076 1.00 0.00 H new ATOM 0 HB VAL A 105 2.148 0.934 -3.119 1.00 0.00 H new ATOM 0 HG11 VAL A 105 3.331 2.945 -2.332 1.00 0.00 H new ATOM 0 HG12 VAL A 105 4.426 1.813 -3.162 1.00 0.00 H new ATOM 0 HG13 VAL A 105 3.861 3.279 -3.998 1.00 0.00 H new ATOM 0 HG21 VAL A 105 0.955 3.084 -2.979 1.00 0.00 H new ATOM 0 HG22 VAL A 105 1.380 3.425 -4.674 1.00 0.00 H new ATOM 0 HG23 VAL A 105 0.314 2.055 -4.282 1.00 0.00 H new ATOM 1492 N ALA A 106 1.381 -0.928 -4.997 1.00 0.00 N ATOM 1493 CA ALA A 106 0.286 -1.834 -5.314 1.00 0.00 C ATOM 1494 C ALA A 106 -0.537 -2.135 -4.068 1.00 0.00 C ATOM 1495 O ALA A 106 -0.017 -2.650 -3.077 1.00 0.00 O ATOM 1496 CB ALA A 106 0.822 -3.120 -5.924 1.00 0.00 C ATOM 0 H ALA A 106 2.003 -1.261 -4.260 1.00 0.00 H new ATOM 0 HA ALA A 106 -0.363 -1.350 -6.044 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -0.009 -3.787 -6.155 1.00 0.00 H new ATOM 0 HB2 ALA A 106 1.368 -2.889 -6.839 1.00 0.00 H new ATOM 0 HB3 ALA A 106 1.492 -3.607 -5.215 1.00 0.00 H new ATOM 1502 N ARG A 107 -1.821 -1.802 -4.120 1.00 0.00 N ATOM 1503 CA ARG A 107 -2.716 -2.030 -2.992 1.00 0.00 C ATOM 1504 C ARG A 107 -3.724 -3.129 -3.312 1.00 0.00 C ATOM 1505 O ARG A 107 -4.154 -3.279 -4.455 1.00 0.00 O ATOM 1506 CB ARG A 107 -3.436 -0.728 -2.623 1.00 0.00 C ATOM 1507 CG ARG A 107 -4.574 -0.908 -1.628 1.00 0.00 C ATOM 1508 CD ARG A 107 -5.931 -0.705 -2.285 1.00 0.00 C ATOM 1509 NE ARG A 107 -6.820 0.113 -1.464 1.00 0.00 N ATOM 1510 CZ ARG A 107 -7.930 0.688 -1.921 1.00 0.00 C ATOM 1511 NH1 ARG A 107 -8.292 0.534 -3.189 1.00 0.00 N ATOM 1512 NH2 ARG A 107 -8.681 1.418 -1.108 1.00 0.00 N ATOM 0 H ARG A 107 -2.266 -1.373 -4.931 1.00 0.00 H new ATOM 0 HA ARG A 107 -2.122 -2.358 -2.139 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -2.710 -0.030 -2.206 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -3.831 -0.273 -3.532 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -4.525 -1.907 -1.195 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -4.457 -0.199 -0.808 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -5.796 -0.230 -3.257 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -6.395 -1.675 -2.466 1.00 0.00 H new ATOM 0 HE ARG A 107 -6.576 0.252 -0.483 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -7.718 -0.027 -3.819 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -9.144 0.977 -3.534 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -8.408 1.539 -0.133 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -9.532 1.859 -1.458 1.00 0.00 H new ATOM 1526 N ARG A 108 -4.094 -3.896 -2.292 1.00 0.00 N ATOM 1527 CA ARG A 108 -5.049 -4.986 -2.458 1.00 0.00 C ATOM 1528 C ARG A 108 -6.474 -4.452 -2.566 1.00 0.00 C ATOM 1529 O ARG A 108 -6.936 -3.706 -1.703 1.00 0.00 O ATOM 1530 CB ARG A 108 -4.947 -5.964 -1.285 1.00 0.00 C ATOM 1531 CG ARG A 108 -5.106 -7.421 -1.692 1.00 0.00 C ATOM 1532 CD ARG A 108 -6.401 -8.014 -1.154 1.00 0.00 C ATOM 1533 NE ARG A 108 -6.490 -7.906 0.299 1.00 0.00 N ATOM 1534 CZ ARG A 108 -7.314 -8.635 1.048 1.00 0.00 C ATOM 1535 NH1 ARG A 108 -8.123 -9.526 0.484 1.00 0.00 N ATOM 1536 NH2 ARG A 108 -7.333 -8.472 2.363 1.00 0.00 N ATOM 0 H ARG A 108 -3.746 -3.783 -1.340 1.00 0.00 H new ATOM 0 HA ARG A 108 -4.806 -5.510 -3.383 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -3.980 -5.835 -0.798 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -5.711 -5.716 -0.548 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -5.093 -7.499 -2.779 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -4.259 -7.998 -1.321 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -7.250 -7.503 -1.608 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -6.468 -9.063 -1.444 1.00 0.00 H new ATOM 0 HE ARG A 108 -5.885 -7.232 0.768 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -8.114 -9.654 -0.528 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -8.752 -10.082 1.063 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -6.716 -7.788 2.801 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -7.964 -9.031 2.937 1.00 0.00 H new ATOM 1550 N ILE A 109 -7.165 -4.841 -3.632 1.00 0.00 N ATOM 1551 CA ILE A 109 -8.537 -4.404 -3.856 1.00 0.00 C ATOM 1552 C ILE A 109 -9.459 -4.901 -2.748 1.00 0.00 C ATOM 1553 O ILE A 109 -10.198 -4.124 -2.144 1.00 0.00 O ATOM 1554 CB ILE A 109 -9.071 -4.900 -5.216 1.00 0.00 C ATOM 1555 CG1 ILE A 109 -8.104 -4.520 -6.340 1.00 0.00 C ATOM 1556 CG2 ILE A 109 -10.455 -4.329 -5.486 1.00 0.00 C ATOM 1557 CD1 ILE A 109 -8.091 -5.509 -7.484 1.00 0.00 C ATOM 0 H ILE A 109 -6.796 -5.459 -4.355 1.00 0.00 H new ATOM 0 HA ILE A 109 -8.526 -3.314 -3.855 1.00 0.00 H new ATOM 0 HB ILE A 109 -9.149 -5.987 -5.181 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -8.374 -3.536 -6.724 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -7.097 -4.437 -5.930 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -10.816 -4.689 -6.449 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -11.140 -4.647 -4.700 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -10.403 -3.240 -5.502 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -7.384 -5.177 -8.244 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -7.792 -6.490 -7.114 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -9.088 -5.574 -7.920 1.00 0.00 H new ATOM 1569 N SER A 110 -9.406 -6.200 -2.486 1.00 0.00 N ATOM 1570 CA SER A 110 -10.233 -6.807 -1.451 1.00 0.00 C ATOM 1571 C SER A 110 -11.714 -6.591 -1.741 1.00 0.00 C ATOM 1572 O SER A 110 -12.318 -5.633 -1.254 1.00 0.00 O ATOM 1573 CB SER A 110 -9.879 -6.226 -0.080 1.00 0.00 C ATOM 1574 OG SER A 110 -10.583 -6.892 0.954 1.00 0.00 O ATOM 0 H SER A 110 -8.798 -6.855 -2.977 1.00 0.00 H new ATOM 0 HA SER A 110 -10.036 -7.879 -1.446 1.00 0.00 H new ATOM 0 HB2 SER A 110 -8.806 -6.316 0.090 1.00 0.00 H new ATOM 0 HB3 SER A 110 -10.117 -5.163 -0.060 1.00 0.00 H new ATOM 0 HG SER A 110 -10.338 -6.503 1.820 1.00 0.00 H new TER 1580 SER A 110 ATOM 1581 N ASP B 3 2.715 -13.567 6.885 1.00 0.00 N ATOM 1582 CA ASP B 3 3.612 -13.065 5.851 1.00 0.00 C ATOM 1583 C ASP B 3 4.843 -12.406 6.470 1.00 0.00 C ATOM 1584 O ASP B 3 5.135 -11.238 6.207 1.00 0.00 O ATOM 1585 CB ASP B 3 2.872 -12.072 4.951 1.00 0.00 C ATOM 1586 CG ASP B 3 2.421 -12.701 3.648 1.00 0.00 C ATOM 1587 OD1 ASP B 3 3.291 -13.041 2.819 1.00 0.00 O ATOM 1588 OD2 ASP B 3 1.196 -12.853 3.455 1.00 0.00 O ATOM 0 HA ASP B 3 3.947 -13.908 5.247 1.00 0.00 H new ATOM 0 HB2 ASP B 3 2.004 -11.681 5.482 1.00 0.00 H new ATOM 0 HB3 ASP B 3 3.523 -11.225 4.736 1.00 0.00 H new ATOM 1593 N GLU B 4 5.560 -13.162 7.293 1.00 0.00 N ATOM 1594 CA GLU B 4 6.759 -12.654 7.950 1.00 0.00 C ATOM 1595 C GLU B 4 7.769 -13.774 8.180 1.00 0.00 C ATOM 1596 O GLU B 4 7.458 -14.950 7.998 1.00 0.00 O ATOM 1597 CB GLU B 4 6.396 -11.997 9.282 1.00 0.00 C ATOM 1598 CG GLU B 4 5.360 -10.891 9.153 1.00 0.00 C ATOM 1599 CD GLU B 4 5.414 -9.905 10.304 1.00 0.00 C ATOM 1600 OE1 GLU B 4 5.242 -10.336 11.464 1.00 0.00 O ATOM 1601 OE2 GLU B 4 5.627 -8.703 10.045 1.00 0.00 O ATOM 0 H GLU B 4 5.332 -14.130 7.522 1.00 0.00 H new ATOM 0 HA GLU B 4 7.213 -11.908 7.297 1.00 0.00 H new ATOM 0 HB2 GLU B 4 6.018 -12.760 9.963 1.00 0.00 H new ATOM 0 HB3 GLU B 4 7.299 -11.586 9.733 1.00 0.00 H new ATOM 0 HG2 GLU B 4 5.517 -10.358 8.215 1.00 0.00 H new ATOM 0 HG3 GLU B 4 4.365 -11.334 9.105 1.00 0.00 H new ATOM 1608 N ASP B 5 8.979 -13.397 8.583 1.00 0.00 N ATOM 1609 CA ASP B 5 10.036 -14.370 8.839 1.00 0.00 C ATOM 1610 C ASP B 5 10.281 -14.525 10.336 1.00 0.00 C ATOM 1611 O ASP B 5 9.961 -15.556 10.927 1.00 0.00 O ATOM 1612 CB ASP B 5 11.327 -13.948 8.136 1.00 0.00 C ATOM 1613 CG ASP B 5 12.434 -14.972 8.296 1.00 0.00 C ATOM 1614 OD1 ASP B 5 12.194 -16.158 7.990 1.00 0.00 O ATOM 1615 OD2 ASP B 5 13.542 -14.587 8.724 1.00 0.00 O ATOM 0 H ASP B 5 9.252 -12.427 8.739 1.00 0.00 H new ATOM 0 HA ASP B 5 9.715 -15.333 8.442 1.00 0.00 H new ATOM 0 HB2 ASP B 5 11.127 -13.796 7.075 1.00 0.00 H new ATOM 0 HB3 ASP B 5 11.660 -12.991 8.538 1.00 0.00 H new ATOM 1620 N GLN B 6 10.850 -13.490 10.941 1.00 0.00 N ATOM 1621 CA GLN B 6 11.141 -13.503 12.371 1.00 0.00 C ATOM 1622 C GLN B 6 11.136 -12.086 12.934 1.00 0.00 C ATOM 1623 O GLN B 6 10.392 -11.780 13.865 1.00 0.00 O ATOM 1624 CB GLN B 6 12.494 -14.165 12.632 1.00 0.00 C ATOM 1625 CG GLN B 6 12.442 -15.684 12.609 1.00 0.00 C ATOM 1626 CD GLN B 6 13.052 -16.269 11.350 1.00 0.00 C ATOM 1627 OE1 GLN B 6 14.265 -16.211 11.148 1.00 0.00 O ATOM 1628 NE2 GLN B 6 12.211 -16.839 10.494 1.00 0.00 N ATOM 0 H GLN B 6 11.120 -12.630 10.464 1.00 0.00 H new ATOM 0 HA GLN B 6 10.363 -14.079 12.872 1.00 0.00 H new ATOM 0 HB2 GLN B 6 13.207 -13.823 11.882 1.00 0.00 H new ATOM 0 HB3 GLN B 6 12.869 -13.837 13.602 1.00 0.00 H new ATOM 0 HG2 GLN B 6 12.969 -16.075 13.479 1.00 0.00 H new ATOM 0 HG3 GLN B 6 11.405 -16.010 12.691 1.00 0.00 H new ATOM 0 HE21 GLN B 6 11.213 -16.865 10.701 1.00 0.00 H new ATOM 0 HE22 GLN B 6 12.564 -17.251 9.630 1.00 0.00 H new ATOM 1637 N HIS B 7 11.970 -11.226 12.361 1.00 0.00 N ATOM 1638 CA HIS B 7 12.062 -9.839 12.800 1.00 0.00 C ATOM 1639 C HIS B 7 12.016 -8.892 11.606 1.00 0.00 C ATOM 1640 O HIS B 7 12.526 -9.207 10.531 1.00 0.00 O ATOM 1641 CB HIS B 7 13.349 -9.613 13.598 1.00 0.00 C ATOM 1642 CG HIS B 7 14.543 -10.320 13.034 1.00 0.00 C ATOM 1643 ND1 HIS B 7 15.381 -11.108 13.795 1.00 0.00 N ATOM 1644 CD2 HIS B 7 15.039 -10.357 11.773 1.00 0.00 C ATOM 1645 CE1 HIS B 7 16.340 -11.595 13.029 1.00 0.00 C ATOM 1646 NE2 HIS B 7 16.155 -11.156 11.799 1.00 0.00 N ATOM 0 H HIS B 7 12.593 -11.466 11.590 1.00 0.00 H new ATOM 0 HA HIS B 7 11.208 -9.630 13.444 1.00 0.00 H new ATOM 0 HB2 HIS B 7 13.557 -8.544 13.638 1.00 0.00 H new ATOM 0 HB3 HIS B 7 13.192 -9.946 14.624 1.00 0.00 H new ATOM 0 HD2 HIS B 7 14.632 -9.852 10.909 1.00 0.00 H new ATOM 0 HE1 HIS B 7 17.140 -12.243 13.354 1.00 0.00 H new ATOM 0 HE2 HIS B 7 16.746 -11.375 10.997 1.00 0.00 H new ATOM 1655 N SER B 8 11.397 -7.731 11.798 1.00 0.00 N ATOM 1656 CA SER B 8 11.282 -6.743 10.733 1.00 0.00 C ATOM 1657 C SER B 8 11.943 -5.425 11.136 1.00 0.00 C ATOM 1658 O SER B 8 12.722 -5.376 12.089 1.00 0.00 O ATOM 1659 CB SER B 8 9.809 -6.511 10.385 1.00 0.00 C ATOM 1660 OG SER B 8 9.677 -5.621 9.290 1.00 0.00 O ATOM 0 H SER B 8 10.968 -7.452 12.681 1.00 0.00 H new ATOM 0 HA SER B 8 11.798 -7.128 9.854 1.00 0.00 H new ATOM 0 HB2 SER B 8 9.335 -7.462 10.143 1.00 0.00 H new ATOM 0 HB3 SER B 8 9.287 -6.106 11.252 1.00 0.00 H new ATOM 0 HG SER B 8 10.337 -5.848 8.602 1.00 0.00 H new ATOM 1666 N GLN B 9 11.627 -4.362 10.403 1.00 0.00 N ATOM 1667 CA GLN B 9 12.183 -3.047 10.675 1.00 0.00 C ATOM 1668 C GLN B 9 11.421 -1.996 9.882 1.00 0.00 C ATOM 1669 O GLN B 9 11.252 -2.124 8.669 1.00 0.00 O ATOM 1670 CB GLN B 9 13.675 -3.022 10.316 1.00 0.00 C ATOM 1671 CG GLN B 9 14.327 -1.650 10.438 1.00 0.00 C ATOM 1672 CD GLN B 9 13.880 -0.674 9.363 1.00 0.00 C ATOM 1673 OE1 GLN B 9 13.761 0.525 9.613 1.00 0.00 O ATOM 1674 NE2 GLN B 9 13.633 -1.179 8.158 1.00 0.00 N ATOM 0 H GLN B 9 10.984 -4.390 9.612 1.00 0.00 H new ATOM 0 HA GLN B 9 12.083 -2.824 11.737 1.00 0.00 H new ATOM 0 HB2 GLN B 9 14.204 -3.721 10.963 1.00 0.00 H new ATOM 0 HB3 GLN B 9 13.797 -3.379 9.293 1.00 0.00 H new ATOM 0 HG2 GLN B 9 14.096 -1.232 11.418 1.00 0.00 H new ATOM 0 HG3 GLN B 9 15.410 -1.764 10.388 1.00 0.00 H new ATOM 0 HE21 GLN B 9 13.744 -2.179 7.992 1.00 0.00 H new ATOM 0 HE22 GLN B 9 13.333 -0.566 7.400 1.00 0.00 H new ATOM 1683 N ILE B 10 10.952 -0.963 10.567 1.00 0.00 N ATOM 1684 CA ILE B 10 10.199 0.095 9.910 1.00 0.00 C ATOM 1685 C ILE B 10 11.077 1.305 9.637 1.00 0.00 C ATOM 1686 O ILE B 10 11.339 2.117 10.524 1.00 0.00 O ATOM 1687 CB ILE B 10 8.977 0.537 10.738 1.00 0.00 C ATOM 1688 CG1 ILE B 10 8.460 -0.620 11.595 1.00 0.00 C ATOM 1689 CG2 ILE B 10 7.881 1.050 9.816 1.00 0.00 C ATOM 1690 CD1 ILE B 10 7.780 -1.713 10.800 1.00 0.00 C ATOM 0 H ILE B 10 11.078 -0.835 11.571 1.00 0.00 H new ATOM 0 HA ILE B 10 9.847 -0.320 8.966 1.00 0.00 H new ATOM 0 HB ILE B 10 9.280 1.344 11.405 1.00 0.00 H new ATOM 0 HG12 ILE B 10 9.294 -1.051 12.148 1.00 0.00 H new ATOM 0 HG13 ILE B 10 7.758 -0.229 12.331 1.00 0.00 H new ATOM 0 HG21 ILE B 10 7.021 1.360 10.410 1.00 0.00 H new ATOM 0 HG22 ILE B 10 8.254 1.901 9.246 1.00 0.00 H new ATOM 0 HG23 ILE B 10 7.581 0.257 9.131 1.00 0.00 H new ATOM 0 HD11 ILE B 10 7.441 -2.498 11.476 1.00 0.00 H new ATOM 0 HD12 ILE B 10 6.924 -1.297 10.268 1.00 0.00 H new ATOM 0 HD13 ILE B 10 8.485 -2.133 10.082 1.00 0.00 H new ATOM 1702 N THR B 11 11.522 1.414 8.396 1.00 0.00 N ATOM 1703 CA THR B 11 12.370 2.522 7.976 1.00 0.00 C ATOM 1704 C THR B 11 11.573 3.820 7.933 1.00 0.00 C ATOM 1705 O THR B 11 10.800 4.056 7.002 1.00 0.00 O ATOM 1706 CB THR B 11 12.981 2.229 6.603 1.00 0.00 C ATOM 1707 OG1 THR B 11 13.843 1.110 6.670 1.00 0.00 O ATOM 1708 CG2 THR B 11 13.776 3.387 6.036 1.00 0.00 C ATOM 0 H THR B 11 11.309 0.745 7.656 1.00 0.00 H new ATOM 0 HA THR B 11 13.175 2.636 8.702 1.00 0.00 H new ATOM 0 HB THR B 11 12.133 2.039 5.946 1.00 0.00 H new ATOM 0 HG1 THR B 11 13.823 0.630 5.816 1.00 0.00 H new ATOM 0 HG21 THR B 11 14.180 3.109 5.062 1.00 0.00 H new ATOM 0 HG22 THR B 11 13.126 4.255 5.925 1.00 0.00 H new ATOM 0 HG23 THR B 11 14.595 3.631 6.712 1.00 0.00 H new ATOM 1716 N LYS B 12 11.761 4.656 8.946 1.00 0.00 N ATOM 1717 CA LYS B 12 11.058 5.929 9.026 1.00 0.00 C ATOM 1718 C LYS B 12 11.656 6.943 8.057 1.00 0.00 C ATOM 1719 O LYS B 12 12.835 7.283 8.147 1.00 0.00 O ATOM 1720 CB LYS B 12 11.108 6.475 10.453 1.00 0.00 C ATOM 1721 CG LYS B 12 9.864 7.253 10.849 1.00 0.00 C ATOM 1722 CD LYS B 12 10.143 8.745 10.948 1.00 0.00 C ATOM 1723 CE LYS B 12 10.124 9.218 12.392 1.00 0.00 C ATOM 1724 NZ LYS B 12 10.603 10.621 12.526 1.00 0.00 N ATOM 0 H LYS B 12 12.395 4.475 9.724 1.00 0.00 H new ATOM 0 HA LYS B 12 10.018 5.759 8.748 1.00 0.00 H new ATOM 0 HB2 LYS B 12 11.244 5.645 11.146 1.00 0.00 H new ATOM 0 HB3 LYS B 12 11.979 7.122 10.556 1.00 0.00 H new ATOM 0 HG2 LYS B 12 9.076 7.078 10.116 1.00 0.00 H new ATOM 0 HG3 LYS B 12 9.495 6.887 11.807 1.00 0.00 H new ATOM 0 HD2 LYS B 12 11.114 8.965 10.504 1.00 0.00 H new ATOM 0 HD3 LYS B 12 9.398 9.295 10.374 1.00 0.00 H new ATOM 0 HE2 LYS B 12 9.110 9.142 12.785 1.00 0.00 H new ATOM 0 HE3 LYS B 12 10.750 8.562 12.997 1.00 0.00 H new ATOM 0 HZ1 LYS B 12 10.574 10.904 13.526 1.00 0.00 H new ATOM 0 HZ2 LYS B 12 11.580 10.689 12.175 1.00 0.00 H new ATOM 0 HZ3 LYS B 12 9.991 11.252 11.970 1.00 0.00 H new ATOM 1738 N VAL B 13 10.831 7.422 7.134 1.00 0.00 N ATOM 1739 CA VAL B 13 11.270 8.401 6.147 1.00 0.00 C ATOM 1740 C VAL B 13 10.115 9.302 5.727 1.00 0.00 C ATOM 1741 O VAL B 13 9.430 9.838 6.623 1.00 0.00 O ATOM 1742 CB VAL B 13 11.858 7.717 4.896 1.00 0.00 C ATOM 1743 CG1 VAL B 13 13.217 7.110 5.207 1.00 0.00 C ATOM 1744 CG2 VAL B 13 10.901 6.660 4.367 1.00 0.00 C ATOM 1745 OXT VAL B 13 9.900 9.465 4.506 1.00 0.00 O ATOM 0 H VAL B 13 9.852 7.148 7.048 1.00 0.00 H new ATOM 0 HA VAL B 13 12.048 9.002 6.617 1.00 0.00 H new ATOM 0 HB VAL B 13 11.993 8.472 4.121 1.00 0.00 H new ATOM 0 HG11 VAL B 13 13.615 6.632 4.312 1.00 0.00 H new ATOM 0 HG12 VAL B 13 13.900 7.894 5.534 1.00 0.00 H new ATOM 0 HG13 VAL B 13 13.112 6.368 5.998 1.00 0.00 H new ATOM 0 HG21 VAL B 13 11.332 6.188 3.484 1.00 0.00 H new ATOM 0 HG22 VAL B 13 10.731 5.906 5.135 1.00 0.00 H new ATOM 0 HG23 VAL B 13 9.953 7.128 4.102 1.00 0.00 H new TER 1755 VAL B 13