USER MOD reduce.3.24.130724 H: found=0, std=0, add=874, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 873 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 72 THR OG1 : rot 170:sc= 0 USER MOD Set 1.2: A 122 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 113 MET CE :methyl 180:sc= -0.0185 (180deg=0) USER MOD Set 2.2: A 138 CYS SG : rot 180:sc= -0.894 USER MOD Set 3.1: A 47 LYS NZ :NH3+ -150:sc= 1.06 (180deg=-0.212!) USER MOD Set 3.2: A 49 THR OG1 : rot -107:sc= 0.236 USER MOD Set 3.3: A 106 MET CE :methyl 169:sc= 0 (180deg=-0.0399) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 LYS NZ :NH3+ -108:sc= 0.881 (180deg=-0.491!) USER MOD Single : A 57 SER OG : rot 117:sc= 0.534 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 176:sc= 1.01 (180deg=0.848) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 HIS : no HD1:sc= -0.254 X(o=-0.25,f=-0.0053) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0.33) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 CYS SG : rot 26:sc= -0.383 USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 102 SER OG : rot -18:sc= 0.525 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 THR OG1 : rot -103:sc= 1.26 USER MOD Single : A 118 SER OG : rot 46:sc= 0.182 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 TYR OH : rot 180:sc= 0 USER MOD Single : A 121 CYS SG : rot 160:sc= -1.92 USER MOD Single : A 125 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 130 TYR OH : rot 115:sc= 0.694 USER MOD Single : A 134 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 142 THR OG1 : rot 180:sc= -0.0139 USER MOD Single : A 144 LYS NZ :NH3+ -142:sc= 0.801 (180deg=-0.506!) USER MOD Single : A 145 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 42 N GLU A 35 -7.376 19.398 -1.633 1.00 0.00 N ATOM 43 CA GLU A 35 -6.240 19.466 -2.600 1.00 0.00 C ATOM 44 C GLU A 35 -4.888 18.829 -2.127 1.00 0.00 C ATOM 45 O GLU A 35 -4.001 19.510 -1.602 1.00 0.00 O ATOM 46 CB GLU A 35 -6.124 20.900 -3.196 1.00 0.00 C ATOM 47 CG GLU A 35 -5.237 21.040 -4.463 1.00 0.00 C ATOM 48 CD GLU A 35 -5.665 20.199 -5.653 1.00 0.00 C ATOM 49 OE1 GLU A 35 -5.273 19.015 -5.731 1.00 0.00 O ATOM 50 OE2 GLU A 35 -6.415 20.686 -6.521 1.00 0.00 O ATOM 0 HA GLU A 35 -6.494 18.790 -3.417 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -7.126 21.254 -3.437 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -5.729 21.562 -2.425 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -5.226 22.087 -4.765 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -4.213 20.774 -4.201 1.00 0.00 H new ATOM 57 N TRP A 36 -4.775 17.499 -2.320 1.00 0.00 N ATOM 58 CA TRP A 36 -3.651 16.656 -1.818 1.00 0.00 C ATOM 59 C TRP A 36 -3.775 16.460 -0.281 1.00 0.00 C ATOM 60 O TRP A 36 -3.388 17.343 0.493 1.00 0.00 O ATOM 61 CB TRP A 36 -2.201 17.070 -2.218 1.00 0.00 C ATOM 62 CG TRP A 36 -1.926 17.192 -3.721 1.00 0.00 C ATOM 63 CD1 TRP A 36 -1.987 18.389 -4.463 1.00 0.00 C ATOM 64 CD2 TRP A 36 -1.641 16.197 -4.640 1.00 0.00 C ATOM 65 NE1 TRP A 36 -1.761 18.168 -5.832 1.00 0.00 N ATOM 66 CE2 TRP A 36 -1.556 16.801 -5.921 1.00 0.00 C ATOM 67 CE3 TRP A 36 -1.535 14.788 -4.503 1.00 0.00 C ATOM 68 CZ2 TRP A 36 -1.385 15.999 -7.074 1.00 0.00 C ATOM 69 CZ3 TRP A 36 -1.365 14.019 -5.655 1.00 0.00 C ATOM 70 CH2 TRP A 36 -1.294 14.616 -6.919 1.00 0.00 C ATOM 0 H TRP A 36 -5.471 16.963 -2.838 1.00 0.00 H new ATOM 0 HA TRP A 36 -3.780 15.713 -2.348 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -1.976 18.028 -1.749 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -1.508 16.340 -1.800 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -2.184 19.359 -4.031 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -1.750 18.855 -6.586 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -1.585 14.322 -3.530 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -1.326 16.449 -8.054 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -1.287 12.945 -5.570 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -1.166 13.993 -7.792 1.00 0.00 H new ATOM 81 N LEU A 37 -4.314 15.303 0.149 1.00 0.00 N ATOM 82 CA LEU A 37 -4.468 14.969 1.589 1.00 0.00 C ATOM 83 C LEU A 37 -3.126 14.378 2.101 1.00 0.00 C ATOM 84 O LEU A 37 -2.710 13.293 1.682 1.00 0.00 O ATOM 85 CB LEU A 37 -5.679 14.006 1.780 1.00 0.00 C ATOM 86 CG LEU A 37 -6.260 13.783 3.209 1.00 0.00 C ATOM 87 CD1 LEU A 37 -5.307 13.079 4.194 1.00 0.00 C ATOM 88 CD2 LEU A 37 -6.843 15.070 3.830 1.00 0.00 C ATOM 0 H LEU A 37 -4.654 14.576 -0.481 1.00 0.00 H new ATOM 0 HA LEU A 37 -4.687 15.857 2.182 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -6.490 14.371 1.150 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -5.387 13.031 1.390 1.00 0.00 H new ATOM 0 HG LEU A 37 -7.082 13.087 3.042 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.799 12.969 5.160 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -5.045 12.095 3.806 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -4.402 13.675 4.314 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -7.232 14.850 4.824 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -6.060 15.825 3.905 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -7.649 15.445 3.200 1.00 0.00 H new ATOM 100 N ASP A 38 -2.472 15.113 3.015 1.00 0.00 N ATOM 101 CA ASP A 38 -1.118 14.768 3.526 1.00 0.00 C ATOM 102 C ASP A 38 -1.192 13.615 4.581 1.00 0.00 C ATOM 103 O ASP A 38 -1.545 13.820 5.749 1.00 0.00 O ATOM 104 CB ASP A 38 -0.453 16.061 4.082 1.00 0.00 C ATOM 105 CG ASP A 38 -0.040 17.137 3.066 1.00 0.00 C ATOM 106 OD1 ASP A 38 -0.622 17.236 1.968 1.00 0.00 O ATOM 107 OD2 ASP A 38 0.915 17.891 3.337 1.00 0.00 O ATOM 0 H ASP A 38 -2.859 15.963 3.425 1.00 0.00 H new ATOM 0 HA ASP A 38 -0.495 14.385 2.718 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -1.143 16.516 4.792 1.00 0.00 H new ATOM 0 HB3 ASP A 38 0.435 15.769 4.643 1.00 0.00 H new ATOM 112 N ILE A 39 -0.858 12.392 4.125 1.00 0.00 N ATOM 113 CA ILE A 39 -0.921 11.145 4.951 1.00 0.00 C ATOM 114 C ILE A 39 0.194 11.132 6.054 1.00 0.00 C ATOM 115 O ILE A 39 -0.128 10.915 7.226 1.00 0.00 O ATOM 116 CB ILE A 39 -0.928 9.849 4.049 1.00 0.00 C ATOM 117 CG1 ILE A 39 -2.044 9.832 2.953 1.00 0.00 C ATOM 118 CG2 ILE A 39 -1.017 8.549 4.896 1.00 0.00 C ATOM 119 CD1 ILE A 39 -1.939 8.732 1.882 1.00 0.00 C ATOM 0 H ILE A 39 -0.534 12.228 3.172 1.00 0.00 H new ATOM 0 HA ILE A 39 -1.872 11.140 5.484 1.00 0.00 H new ATOM 0 HB ILE A 39 0.030 9.882 3.530 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -3.009 9.733 3.450 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -2.043 10.799 2.450 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -1.019 7.683 4.234 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -0.159 8.492 5.566 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -1.936 8.559 5.483 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -2.769 8.826 1.181 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -0.996 8.836 1.345 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -1.978 7.753 2.361 1.00 0.00 H new ATOM 131 N LEU A 40 1.474 11.356 5.686 1.00 0.00 N ATOM 132 CA LEU A 40 2.610 11.405 6.641 1.00 0.00 C ATOM 133 C LEU A 40 2.537 12.614 7.632 1.00 0.00 C ATOM 134 O LEU A 40 2.423 12.382 8.840 1.00 0.00 O ATOM 135 CB LEU A 40 3.922 11.350 5.804 1.00 0.00 C ATOM 136 CG LEU A 40 5.232 11.171 6.617 1.00 0.00 C ATOM 137 CD1 LEU A 40 5.469 9.701 7.021 1.00 0.00 C ATOM 138 CD2 LEU A 40 6.433 11.724 5.835 1.00 0.00 C ATOM 0 H LEU A 40 1.753 11.509 4.717 1.00 0.00 H new ATOM 0 HA LEU A 40 2.572 10.545 7.310 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.843 10.528 5.092 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.999 12.269 5.223 1.00 0.00 H new ATOM 0 HG LEU A 40 5.123 11.742 7.539 1.00 0.00 H new ATOM 0 HD11 LEU A 40 6.397 9.625 7.588 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.638 9.354 7.636 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.539 9.084 6.125 1.00 0.00 H new ATOM 0 HD21 LEU A 40 7.342 11.589 6.421 1.00 0.00 H new ATOM 0 HD22 LEU A 40 6.529 11.190 4.890 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.282 12.785 5.639 1.00 0.00 H new ATOM 150 N GLY A 41 2.614 13.867 7.140 1.00 0.00 N ATOM 151 CA GLY A 41 2.635 15.059 8.016 1.00 0.00 C ATOM 152 C GLY A 41 2.942 16.346 7.234 1.00 0.00 C ATOM 153 O GLY A 41 2.022 17.109 6.922 1.00 0.00 O ATOM 0 H GLY A 41 2.663 14.081 6.144 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.671 15.159 8.514 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.384 14.922 8.796 1.00 0.00 H new ATOM 157 N ASN A 42 4.235 16.585 6.940 1.00 0.00 N ATOM 158 CA ASN A 42 4.706 17.844 6.288 1.00 0.00 C ATOM 159 C ASN A 42 4.288 17.933 4.788 1.00 0.00 C ATOM 160 O ASN A 42 3.472 18.794 4.444 1.00 0.00 O ATOM 161 CB ASN A 42 6.239 18.054 6.479 1.00 0.00 C ATOM 162 CG ASN A 42 6.733 18.183 7.935 1.00 0.00 C ATOM 163 OD1 ASN A 42 6.519 19.197 8.598 1.00 0.00 O ATOM 164 ND2 ASN A 42 7.399 17.160 8.450 1.00 0.00 N ATOM 0 H ASN A 42 4.984 15.923 7.142 1.00 0.00 H new ATOM 0 HA ASN A 42 4.201 18.665 6.796 1.00 0.00 H new ATOM 0 HB2 ASN A 42 6.760 17.217 6.013 1.00 0.00 H new ATOM 0 HB3 ASN A 42 6.532 18.953 5.937 1.00 0.00 H new ATOM 0 HD21 ASN A 42 7.743 17.206 9.409 1.00 0.00 H new ATOM 0 HD22 ASN A 42 7.568 16.326 7.887 1.00 0.00 H new ATOM 171 N GLY A 43 4.822 17.052 3.921 1.00 0.00 N ATOM 172 CA GLY A 43 4.407 16.978 2.507 1.00 0.00 C ATOM 173 C GLY A 43 5.313 16.059 1.673 1.00 0.00 C ATOM 174 O GLY A 43 6.056 16.544 0.816 1.00 0.00 O ATOM 0 H GLY A 43 5.545 16.379 4.176 1.00 0.00 H new ATOM 0 HA2 GLY A 43 3.380 16.617 2.452 1.00 0.00 H new ATOM 0 HA3 GLY A 43 4.416 17.979 2.076 1.00 0.00 H new ATOM 178 N LEU A 44 5.222 14.740 1.922 1.00 0.00 N ATOM 179 CA LEU A 44 6.003 13.706 1.187 1.00 0.00 C ATOM 180 C LEU A 44 4.994 12.680 0.597 1.00 0.00 C ATOM 181 O LEU A 44 4.782 12.690 -0.618 1.00 0.00 O ATOM 182 CB LEU A 44 7.118 13.075 2.077 1.00 0.00 C ATOM 183 CG LEU A 44 8.241 14.011 2.612 1.00 0.00 C ATOM 184 CD1 LEU A 44 9.137 13.266 3.621 1.00 0.00 C ATOM 185 CD2 LEU A 44 9.109 14.634 1.500 1.00 0.00 C ATOM 0 H LEU A 44 4.607 14.352 2.637 1.00 0.00 H new ATOM 0 HA LEU A 44 6.556 14.153 0.361 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.636 12.607 2.935 1.00 0.00 H new ATOM 0 HB3 LEU A 44 7.592 12.278 1.504 1.00 0.00 H new ATOM 0 HG LEU A 44 7.729 14.835 3.109 1.00 0.00 H new ATOM 0 HD11 LEU A 44 9.915 13.938 3.982 1.00 0.00 H new ATOM 0 HD12 LEU A 44 8.533 12.925 4.462 1.00 0.00 H new ATOM 0 HD13 LEU A 44 9.598 12.407 3.133 1.00 0.00 H new ATOM 0 HD21 LEU A 44 9.870 15.274 1.948 1.00 0.00 H new ATOM 0 HD22 LEU A 44 9.592 13.841 0.928 1.00 0.00 H new ATOM 0 HD23 LEU A 44 8.480 15.228 0.837 1.00 0.00 H new ATOM 197 N LEU A 45 4.341 11.848 1.441 1.00 0.00 N ATOM 198 CA LEU A 45 3.228 10.961 1.018 1.00 0.00 C ATOM 199 C LEU A 45 1.895 11.771 0.975 1.00 0.00 C ATOM 200 O LEU A 45 1.458 12.337 1.983 1.00 0.00 O ATOM 201 CB LEU A 45 3.177 9.755 1.997 1.00 0.00 C ATOM 202 CG LEU A 45 2.133 8.649 1.692 1.00 0.00 C ATOM 203 CD1 LEU A 45 2.382 7.898 0.372 1.00 0.00 C ATOM 204 CD2 LEU A 45 2.047 7.648 2.853 1.00 0.00 C ATOM 0 H LEU A 45 4.569 11.771 2.432 1.00 0.00 H new ATOM 0 HA LEU A 45 3.384 10.574 0.011 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.164 9.293 2.019 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.982 10.139 2.999 1.00 0.00 H new ATOM 0 HG LEU A 45 1.183 9.170 1.576 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.609 7.142 0.232 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.354 8.603 -0.459 1.00 0.00 H new ATOM 0 HD13 LEU A 45 3.359 7.416 0.406 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.309 6.881 2.618 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.020 7.181 3.004 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.751 8.170 3.763 1.00 0.00 H new ATOM 216 N ARG A 46 1.284 11.820 -0.220 1.00 0.00 N ATOM 217 CA ARG A 46 0.073 12.642 -0.513 1.00 0.00 C ATOM 218 C ARG A 46 -0.931 11.873 -1.429 1.00 0.00 C ATOM 219 O ARG A 46 -0.526 11.041 -2.243 1.00 0.00 O ATOM 220 CB ARG A 46 0.535 13.969 -1.189 1.00 0.00 C ATOM 221 CG ARG A 46 0.832 15.104 -0.191 1.00 0.00 C ATOM 222 CD ARG A 46 1.413 16.361 -0.862 1.00 0.00 C ATOM 223 NE ARG A 46 1.334 17.439 0.153 1.00 0.00 N ATOM 224 CZ ARG A 46 2.064 18.540 0.207 1.00 0.00 C ATOM 225 NH1 ARG A 46 2.900 18.905 -0.731 1.00 0.00 N ATOM 226 NH2 ARG A 46 1.936 19.284 1.264 1.00 0.00 N ATOM 0 H ARG A 46 1.612 11.288 -1.026 1.00 0.00 H new ATOM 0 HA ARG A 46 -0.452 12.859 0.417 1.00 0.00 H new ATOM 0 HB2 ARG A 46 1.430 13.773 -1.779 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -0.238 14.301 -1.883 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -0.087 15.370 0.331 1.00 0.00 H new ATOM 0 HG3 ARG A 46 1.534 14.744 0.561 1.00 0.00 H new ATOM 0 HD2 ARG A 46 2.444 16.195 -1.176 1.00 0.00 H new ATOM 0 HD3 ARG A 46 0.846 16.624 -1.755 1.00 0.00 H new ATOM 0 HE ARG A 46 0.640 17.318 0.891 1.00 0.00 H new ATOM 0 HH11 ARG A 46 3.016 18.327 -1.563 1.00 0.00 H new ATOM 0 HH12 ARG A 46 3.435 19.767 -0.630 1.00 0.00 H new ATOM 0 HH21 ARG A 46 1.293 19.009 2.007 1.00 0.00 H new ATOM 0 HH22 ARG A 46 2.478 20.143 1.351 1.00 0.00 H new ATOM 240 N LYS A 47 -2.243 12.178 -1.337 1.00 0.00 N ATOM 241 CA LYS A 47 -3.285 11.553 -2.209 1.00 0.00 C ATOM 242 C LYS A 47 -4.319 12.596 -2.748 1.00 0.00 C ATOM 243 O LYS A 47 -5.080 13.194 -1.982 1.00 0.00 O ATOM 244 CB LYS A 47 -3.954 10.321 -1.523 1.00 0.00 C ATOM 245 CG LYS A 47 -4.742 10.584 -0.215 1.00 0.00 C ATOM 246 CD LYS A 47 -5.426 9.345 0.414 1.00 0.00 C ATOM 247 CE LYS A 47 -6.945 9.216 0.177 1.00 0.00 C ATOM 248 NZ LYS A 47 -7.253 8.524 -1.098 1.00 0.00 N ATOM 0 H LYS A 47 -2.616 12.853 -0.669 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.774 11.169 -3.092 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -4.633 9.862 -2.241 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.175 9.589 -1.308 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.060 11.012 0.519 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -5.506 11.335 -0.417 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -4.941 8.450 0.024 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -5.247 9.363 1.489 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -7.396 8.668 1.005 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -7.396 10.208 0.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -8.156 8.877 -1.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -6.495 8.709 -1.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -7.325 7.500 -0.929 1.00 0.00 H new ATOM 262 N LYS A 48 -4.391 12.775 -4.079 1.00 0.00 N ATOM 263 CA LYS A 48 -5.496 13.525 -4.743 1.00 0.00 C ATOM 264 C LYS A 48 -6.559 12.508 -5.247 1.00 0.00 C ATOM 265 O LYS A 48 -6.251 11.618 -6.049 1.00 0.00 O ATOM 266 CB LYS A 48 -4.887 14.387 -5.877 1.00 0.00 C ATOM 267 CG LYS A 48 -5.860 15.305 -6.650 1.00 0.00 C ATOM 268 CD LYS A 48 -5.091 16.216 -7.637 1.00 0.00 C ATOM 269 CE LYS A 48 -5.951 17.098 -8.559 1.00 0.00 C ATOM 270 NZ LYS A 48 -6.682 18.133 -7.782 1.00 0.00 N ATOM 0 H LYS A 48 -3.695 12.410 -4.729 1.00 0.00 H new ATOM 0 HA LYS A 48 -6.003 14.201 -4.055 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.102 15.009 -5.447 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -4.409 13.719 -6.593 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -6.583 14.699 -7.196 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.424 15.918 -5.947 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -4.431 16.864 -7.061 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -4.456 15.587 -8.260 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -5.316 17.579 -9.303 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -6.663 16.476 -9.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -7.693 17.893 -7.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.304 18.172 -6.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -6.561 19.060 -8.238 1.00 0.00 H new ATOM 284 N THR A 49 -7.802 12.660 -4.761 1.00 0.00 N ATOM 285 CA THR A 49 -8.907 11.708 -5.049 1.00 0.00 C ATOM 286 C THR A 49 -9.603 12.122 -6.378 1.00 0.00 C ATOM 287 O THR A 49 -10.222 13.188 -6.472 1.00 0.00 O ATOM 288 CB THR A 49 -9.862 11.636 -3.821 1.00 0.00 C ATOM 289 OG1 THR A 49 -9.136 11.190 -2.677 1.00 0.00 O ATOM 290 CG2 THR A 49 -11.051 10.674 -3.992 1.00 0.00 C ATOM 0 H THR A 49 -8.076 13.438 -4.161 1.00 0.00 H new ATOM 0 HA THR A 49 -8.533 10.695 -5.200 1.00 0.00 H new ATOM 0 HB THR A 49 -10.258 12.646 -3.710 1.00 0.00 H new ATOM 0 HG1 THR A 49 -9.397 10.270 -2.462 1.00 0.00 H new ATOM 0 HG21 THR A 49 -11.662 10.687 -3.090 1.00 0.00 H new ATOM 0 HG22 THR A 49 -11.654 10.989 -4.844 1.00 0.00 H new ATOM 0 HG23 THR A 49 -10.680 9.664 -4.164 1.00 0.00 H new ATOM 298 N LEU A 50 -9.503 11.235 -7.384 1.00 0.00 N ATOM 299 CA LEU A 50 -10.177 11.398 -8.701 1.00 0.00 C ATOM 300 C LEU A 50 -11.705 11.105 -8.577 1.00 0.00 C ATOM 301 O LEU A 50 -12.497 12.041 -8.724 1.00 0.00 O ATOM 302 CB LEU A 50 -9.471 10.547 -9.803 1.00 0.00 C ATOM 303 CG LEU A 50 -8.128 11.075 -10.393 1.00 0.00 C ATOM 304 CD1 LEU A 50 -6.934 11.016 -9.418 1.00 0.00 C ATOM 305 CD2 LEU A 50 -7.767 10.305 -11.680 1.00 0.00 C ATOM 0 H LEU A 50 -8.952 10.379 -7.314 1.00 0.00 H new ATOM 0 HA LEU A 50 -10.086 12.436 -9.020 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -9.286 9.555 -9.391 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -10.172 10.424 -10.629 1.00 0.00 H new ATOM 0 HG LEU A 50 -8.304 12.130 -10.605 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -6.042 11.402 -9.911 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -7.153 11.621 -8.538 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -6.762 9.983 -9.115 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -6.827 10.685 -12.080 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -7.662 9.244 -11.452 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -8.557 10.441 -12.419 1.00 0.00 H new ATOM 317 N VAL A 51 -12.112 9.853 -8.269 1.00 0.00 N ATOM 318 CA VAL A 51 -13.503 9.525 -7.829 1.00 0.00 C ATOM 319 C VAL A 51 -13.465 8.972 -6.358 1.00 0.00 C ATOM 320 O VAL A 51 -12.558 8.192 -6.049 1.00 0.00 O ATOM 321 CB VAL A 51 -14.289 8.582 -8.805 1.00 0.00 C ATOM 322 CG1 VAL A 51 -14.615 9.264 -10.152 1.00 0.00 C ATOM 323 CG2 VAL A 51 -13.666 7.190 -9.059 1.00 0.00 C ATOM 0 H VAL A 51 -11.497 9.041 -8.315 1.00 0.00 H new ATOM 0 HA VAL A 51 -14.076 10.452 -7.853 1.00 0.00 H new ATOM 0 HB VAL A 51 -15.211 8.393 -8.255 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -15.159 8.568 -10.790 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -15.228 10.148 -9.974 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -13.688 9.559 -10.644 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -14.297 6.629 -9.748 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -12.673 7.309 -9.492 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -13.588 6.649 -8.116 1.00 0.00 H new ATOM 333 N PRO A 52 -14.413 9.302 -5.428 1.00 0.00 N ATOM 334 CA PRO A 52 -14.398 8.782 -4.032 1.00 0.00 C ATOM 335 C PRO A 52 -14.914 7.314 -3.883 1.00 0.00 C ATOM 336 O PRO A 52 -15.468 6.728 -4.819 1.00 0.00 O ATOM 337 CB PRO A 52 -15.293 9.818 -3.316 1.00 0.00 C ATOM 338 CG PRO A 52 -16.306 10.272 -4.367 1.00 0.00 C ATOM 339 CD PRO A 52 -15.500 10.275 -5.667 1.00 0.00 C ATOM 0 HA PRO A 52 -13.393 8.694 -3.619 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -15.792 9.377 -2.453 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -14.705 10.659 -2.948 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -17.156 9.592 -4.424 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -16.703 11.261 -4.140 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -16.116 9.982 -6.517 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -15.104 11.267 -5.887 1.00 0.00 H new ATOM 347 N GLY A 53 -14.752 6.757 -2.669 1.00 0.00 N ATOM 348 CA GLY A 53 -15.470 5.533 -2.250 1.00 0.00 C ATOM 349 C GLY A 53 -16.778 5.918 -1.505 1.00 0.00 C ATOM 350 O GLY A 53 -16.657 6.345 -0.352 1.00 0.00 O ATOM 0 H GLY A 53 -14.128 7.135 -1.956 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -15.704 4.921 -3.121 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -14.834 4.932 -1.600 1.00 0.00 H new ATOM 354 N PRO A 54 -18.013 5.836 -2.088 1.00 0.00 N ATOM 355 CA PRO A 54 -19.220 6.498 -1.515 1.00 0.00 C ATOM 356 C PRO A 54 -19.848 5.819 -0.245 1.00 0.00 C ATOM 357 O PRO A 54 -19.548 4.647 0.008 1.00 0.00 O ATOM 358 CB PRO A 54 -20.182 6.511 -2.724 1.00 0.00 C ATOM 359 CG PRO A 54 -19.769 5.325 -3.593 1.00 0.00 C ATOM 360 CD PRO A 54 -18.252 5.272 -3.431 1.00 0.00 C ATOM 0 HA PRO A 54 -18.979 7.481 -1.109 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -21.219 6.417 -2.401 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -20.104 7.447 -3.277 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -20.240 4.400 -3.260 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -20.056 5.472 -4.634 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -17.879 4.251 -3.507 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -17.748 5.854 -4.203 1.00 0.00 H new ATOM 368 N PRO A 55 -20.730 6.491 0.561 1.00 0.00 N ATOM 369 CA PRO A 55 -21.354 5.887 1.773 1.00 0.00 C ATOM 370 C PRO A 55 -22.365 4.747 1.439 1.00 0.00 C ATOM 371 O PRO A 55 -23.252 4.912 0.595 1.00 0.00 O ATOM 372 CB PRO A 55 -22.004 7.104 2.462 1.00 0.00 C ATOM 373 CG PRO A 55 -22.265 8.120 1.348 1.00 0.00 C ATOM 374 CD PRO A 55 -21.109 7.907 0.370 1.00 0.00 C ATOM 0 HA PRO A 55 -20.635 5.376 2.413 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -22.932 6.823 2.960 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -21.346 7.520 3.225 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -23.229 7.948 0.869 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -22.278 9.139 1.733 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -21.415 8.102 -0.658 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -20.276 8.575 0.587 1.00 0.00 H new ATOM 382 N GLY A 56 -22.161 3.581 2.074 1.00 0.00 N ATOM 383 CA GLY A 56 -22.715 2.297 1.581 1.00 0.00 C ATOM 384 C GLY A 56 -21.577 1.291 1.323 1.00 0.00 C ATOM 385 O GLY A 56 -21.402 0.342 2.093 1.00 0.00 O ATOM 0 H GLY A 56 -21.616 3.495 2.932 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -23.412 1.889 2.312 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -23.278 2.464 0.663 1.00 0.00 H new ATOM 389 N SER A 57 -20.787 1.538 0.258 1.00 0.00 N ATOM 390 CA SER A 57 -19.513 0.818 0.000 1.00 0.00 C ATOM 391 C SER A 57 -18.383 1.314 0.952 1.00 0.00 C ATOM 392 O SER A 57 -17.823 2.401 0.771 1.00 0.00 O ATOM 393 CB SER A 57 -19.135 0.967 -1.491 1.00 0.00 C ATOM 394 OG SER A 57 -19.012 2.327 -1.899 1.00 0.00 O ATOM 0 H SER A 57 -21.009 2.239 -0.448 1.00 0.00 H new ATOM 0 HA SER A 57 -19.645 -0.243 0.213 1.00 0.00 H new ATOM 0 HB2 SER A 57 -18.193 0.451 -1.675 1.00 0.00 H new ATOM 0 HB3 SER A 57 -19.892 0.476 -2.103 1.00 0.00 H new ATOM 0 HG SER A 57 -18.088 2.503 -2.175 1.00 0.00 H new ATOM 400 N SER A 58 -18.100 0.506 1.989 1.00 0.00 N ATOM 401 CA SER A 58 -17.231 0.901 3.129 1.00 0.00 C ATOM 402 C SER A 58 -15.915 0.078 3.146 1.00 0.00 C ATOM 403 O SER A 58 -15.880 -1.108 2.798 1.00 0.00 O ATOM 404 CB SER A 58 -18.043 0.701 4.430 1.00 0.00 C ATOM 405 OG SER A 58 -17.325 1.169 5.567 1.00 0.00 O ATOM 0 H SER A 58 -18.465 -0.443 2.067 1.00 0.00 H new ATOM 0 HA SER A 58 -16.936 1.946 3.033 1.00 0.00 H new ATOM 0 HB2 SER A 58 -18.992 1.231 4.354 1.00 0.00 H new ATOM 0 HB3 SER A 58 -18.278 -0.356 4.556 1.00 0.00 H new ATOM 0 HG SER A 58 -17.864 1.031 6.374 1.00 0.00 H new ATOM 411 N ARG A 59 -14.840 0.735 3.617 1.00 0.00 N ATOM 412 CA ARG A 59 -13.480 0.139 3.716 1.00 0.00 C ATOM 413 C ARG A 59 -13.375 -1.136 4.642 1.00 0.00 C ATOM 414 O ARG A 59 -13.806 -1.052 5.799 1.00 0.00 O ATOM 415 CB ARG A 59 -12.553 1.282 4.195 1.00 0.00 C ATOM 416 CG ARG A 59 -11.030 1.003 4.162 1.00 0.00 C ATOM 417 CD ARG A 59 -10.170 2.268 4.371 1.00 0.00 C ATOM 418 NE ARG A 59 -10.232 2.751 5.777 1.00 0.00 N ATOM 419 CZ ARG A 59 -10.972 3.769 6.223 1.00 0.00 C ATOM 420 NH1 ARG A 59 -11.669 4.590 5.472 1.00 0.00 N ATOM 421 NH2 ARG A 59 -11.006 3.968 7.508 1.00 0.00 N ATOM 0 H ARG A 59 -14.882 1.700 3.944 1.00 0.00 H new ATOM 0 HA ARG A 59 -13.188 -0.251 2.741 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -12.751 2.161 3.581 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -12.830 1.539 5.218 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -10.785 0.274 4.935 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -10.772 0.551 3.204 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -9.135 2.052 4.106 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -10.513 3.056 3.700 1.00 0.00 H new ATOM 0 HE ARG A 59 -9.657 2.260 6.462 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -11.673 4.475 4.458 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -12.207 5.342 5.902 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -10.480 3.357 8.133 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -11.559 4.735 7.891 1.00 0.00 H new ATOM 435 N PRO A 60 -12.800 -2.299 4.208 1.00 0.00 N ATOM 436 CA PRO A 60 -12.735 -3.531 5.039 1.00 0.00 C ATOM 437 C PRO A 60 -11.719 -3.476 6.223 1.00 0.00 C ATOM 438 O PRO A 60 -10.781 -2.672 6.240 1.00 0.00 O ATOM 439 CB PRO A 60 -12.391 -4.609 3.989 1.00 0.00 C ATOM 440 CG PRO A 60 -11.655 -3.889 2.863 1.00 0.00 C ATOM 441 CD PRO A 60 -12.270 -2.493 2.842 1.00 0.00 C ATOM 0 HA PRO A 60 -13.665 -3.716 5.577 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -11.768 -5.391 4.424 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -13.295 -5.092 3.617 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -10.582 -3.848 3.052 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -11.792 -4.398 1.909 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -11.526 -1.736 2.594 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -13.061 -2.419 2.096 1.00 0.00 H new ATOM 449 N VAL A 61 -11.935 -4.371 7.205 1.00 0.00 N ATOM 450 CA VAL A 61 -11.009 -4.573 8.363 1.00 0.00 C ATOM 451 C VAL A 61 -9.854 -5.570 8.006 1.00 0.00 C ATOM 452 O VAL A 61 -9.925 -6.286 6.999 1.00 0.00 O ATOM 453 CB VAL A 61 -11.799 -4.982 9.661 1.00 0.00 C ATOM 454 CG1 VAL A 61 -12.723 -3.862 10.193 1.00 0.00 C ATOM 455 CG2 VAL A 61 -12.583 -6.315 9.578 1.00 0.00 C ATOM 0 H VAL A 61 -12.753 -4.980 7.229 1.00 0.00 H new ATOM 0 HA VAL A 61 -10.529 -3.620 8.584 1.00 0.00 H new ATOM 0 HB VAL A 61 -10.993 -5.147 10.376 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -13.238 -4.210 11.089 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -12.126 -2.983 10.436 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -13.457 -3.603 9.430 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -13.089 -6.499 10.526 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -13.321 -6.254 8.778 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -11.891 -7.132 9.372 1.00 0.00 H new ATOM 465 N LYS A 62 -8.795 -5.630 8.851 1.00 0.00 N ATOM 466 CA LYS A 62 -7.610 -6.509 8.622 1.00 0.00 C ATOM 467 C LYS A 62 -7.947 -8.026 8.377 1.00 0.00 C ATOM 468 O LYS A 62 -8.692 -8.662 9.133 1.00 0.00 O ATOM 469 CB LYS A 62 -6.574 -6.294 9.773 1.00 0.00 C ATOM 470 CG LYS A 62 -5.310 -7.185 9.642 1.00 0.00 C ATOM 471 CD LYS A 62 -4.056 -6.813 10.461 1.00 0.00 C ATOM 472 CE LYS A 62 -2.962 -7.873 10.189 1.00 0.00 C ATOM 473 NZ LYS A 62 -1.598 -7.482 10.626 1.00 0.00 N ATOM 0 H LYS A 62 -8.733 -5.077 9.706 1.00 0.00 H new ATOM 0 HA LYS A 62 -7.165 -6.202 7.676 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -6.271 -5.247 9.788 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -7.056 -6.500 10.729 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -5.593 -8.202 9.913 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -5.025 -7.203 8.590 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -3.701 -5.821 10.181 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -4.294 -6.778 11.524 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -3.239 -8.799 10.693 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -2.939 -8.086 9.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -0.943 -8.274 10.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -1.281 -6.656 10.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -1.613 -7.242 11.638 1.00 0.00 H new ATOM 487 N GLY A 63 -7.337 -8.557 7.308 1.00 0.00 N ATOM 488 CA GLY A 63 -7.534 -9.951 6.858 1.00 0.00 C ATOM 489 C GLY A 63 -8.539 -10.119 5.698 1.00 0.00 C ATOM 490 O GLY A 63 -9.381 -11.018 5.766 1.00 0.00 O ATOM 0 H GLY A 63 -6.687 -8.031 6.724 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -6.571 -10.358 6.548 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -7.874 -10.547 7.705 1.00 0.00 H new ATOM 494 N GLN A 64 -8.434 -9.289 4.638 1.00 0.00 N ATOM 495 CA GLN A 64 -9.295 -9.399 3.432 1.00 0.00 C ATOM 496 C GLN A 64 -8.416 -9.123 2.185 1.00 0.00 C ATOM 497 O GLN A 64 -7.613 -8.186 2.151 1.00 0.00 O ATOM 498 CB GLN A 64 -10.540 -8.468 3.487 1.00 0.00 C ATOM 499 CG GLN A 64 -11.619 -8.921 4.503 1.00 0.00 C ATOM 500 CD GLN A 64 -12.940 -8.141 4.470 1.00 0.00 C ATOM 501 OE1 GLN A 64 -13.287 -7.438 5.419 1.00 0.00 O ATOM 502 NE2 GLN A 64 -13.722 -8.263 3.405 1.00 0.00 N ATOM 0 H GLN A 64 -7.757 -8.528 4.590 1.00 0.00 H new ATOM 0 HA GLN A 64 -9.705 -10.408 3.381 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -10.216 -7.459 3.742 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -10.988 -8.418 2.495 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -11.837 -9.974 4.327 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -11.200 -8.846 5.506 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -13.429 -8.847 2.622 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -14.616 -7.773 3.370 1.00 0.00 H new ATOM 511 N VAL A 65 -8.596 -9.952 1.140 1.00 0.00 N ATOM 512 CA VAL A 65 -7.819 -9.854 -0.126 1.00 0.00 C ATOM 513 C VAL A 65 -8.448 -8.708 -0.978 1.00 0.00 C ATOM 514 O VAL A 65 -9.480 -8.889 -1.630 1.00 0.00 O ATOM 515 CB VAL A 65 -7.763 -11.249 -0.842 1.00 0.00 C ATOM 516 CG1 VAL A 65 -7.098 -11.194 -2.236 1.00 0.00 C ATOM 517 CG2 VAL A 65 -7.016 -12.324 -0.015 1.00 0.00 C ATOM 0 H VAL A 65 -9.280 -10.709 1.142 1.00 0.00 H new ATOM 0 HA VAL A 65 -6.775 -9.595 0.052 1.00 0.00 H new ATOM 0 HB VAL A 65 -8.812 -11.525 -0.948 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -7.092 -12.191 -2.676 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -7.659 -10.517 -2.880 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -6.074 -10.835 -2.137 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -7.011 -13.266 -0.563 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -5.990 -12.001 0.160 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -7.520 -12.463 0.941 1.00 0.00 H new ATOM 527 N VAL A 66 -7.794 -7.535 -0.945 1.00 0.00 N ATOM 528 CA VAL A 66 -8.217 -6.334 -1.712 1.00 0.00 C ATOM 529 C VAL A 66 -7.467 -6.349 -3.077 1.00 0.00 C ATOM 530 O VAL A 66 -6.245 -6.175 -3.155 1.00 0.00 O ATOM 531 CB VAL A 66 -8.063 -4.997 -0.908 1.00 0.00 C ATOM 532 CG1 VAL A 66 -9.145 -4.849 0.184 1.00 0.00 C ATOM 533 CG2 VAL A 66 -6.673 -4.737 -0.282 1.00 0.00 C ATOM 0 H VAL A 66 -6.954 -7.385 -0.386 1.00 0.00 H new ATOM 0 HA VAL A 66 -9.290 -6.378 -1.901 1.00 0.00 H new ATOM 0 HB VAL A 66 -8.192 -4.238 -1.680 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -8.999 -3.909 0.715 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -10.132 -4.855 -0.279 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -9.068 -5.679 0.887 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -6.685 -3.785 0.248 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -6.433 -5.539 0.417 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -5.920 -4.704 -1.069 1.00 0.00 H new ATOM 543 N THR A 67 -8.244 -6.598 -4.143 1.00 0.00 N ATOM 544 CA THR A 67 -7.733 -6.764 -5.527 1.00 0.00 C ATOM 545 C THR A 67 -7.785 -5.365 -6.209 1.00 0.00 C ATOM 546 O THR A 67 -8.871 -4.813 -6.416 1.00 0.00 O ATOM 547 CB THR A 67 -8.600 -7.857 -6.227 1.00 0.00 C ATOM 548 OG1 THR A 67 -8.516 -9.088 -5.509 1.00 0.00 O ATOM 549 CG2 THR A 67 -8.194 -8.165 -7.673 1.00 0.00 C ATOM 0 H THR A 67 -9.257 -6.692 -4.075 1.00 0.00 H new ATOM 0 HA THR A 67 -6.700 -7.107 -5.578 1.00 0.00 H new ATOM 0 HB THR A 67 -9.607 -7.441 -6.236 1.00 0.00 H new ATOM 0 HG1 THR A 67 -9.065 -9.766 -5.956 1.00 0.00 H new ATOM 0 HG21 THR A 67 -8.850 -8.935 -8.079 1.00 0.00 H new ATOM 0 HG22 THR A 67 -8.280 -7.261 -8.275 1.00 0.00 H new ATOM 0 HG23 THR A 67 -7.163 -8.519 -7.694 1.00 0.00 H new ATOM 557 N VAL A 68 -6.600 -4.795 -6.505 1.00 0.00 N ATOM 558 CA VAL A 68 -6.466 -3.381 -6.970 1.00 0.00 C ATOM 559 C VAL A 68 -5.731 -3.327 -8.345 1.00 0.00 C ATOM 560 O VAL A 68 -4.740 -4.024 -8.578 1.00 0.00 O ATOM 561 CB VAL A 68 -5.797 -2.437 -5.903 1.00 0.00 C ATOM 562 CG1 VAL A 68 -6.598 -2.326 -4.588 1.00 0.00 C ATOM 563 CG2 VAL A 68 -4.320 -2.733 -5.558 1.00 0.00 C ATOM 0 H VAL A 68 -5.710 -5.288 -6.433 1.00 0.00 H new ATOM 0 HA VAL A 68 -7.475 -2.991 -7.105 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.813 -1.483 -6.430 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -6.078 -1.660 -3.900 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -7.590 -1.927 -4.799 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -6.693 -3.313 -4.135 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.970 -2.018 -4.813 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -4.235 -3.744 -5.159 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.712 -2.646 -6.458 1.00 0.00 H new ATOM 573 N HIS A 69 -6.183 -2.408 -9.220 1.00 0.00 N ATOM 574 CA HIS A 69 -5.410 -1.941 -10.404 1.00 0.00 C ATOM 575 C HIS A 69 -4.363 -0.908 -9.896 1.00 0.00 C ATOM 576 O HIS A 69 -4.710 0.224 -9.546 1.00 0.00 O ATOM 577 CB HIS A 69 -6.417 -1.417 -11.480 1.00 0.00 C ATOM 578 CG HIS A 69 -5.973 -0.461 -12.610 1.00 0.00 C ATOM 579 ND1 HIS A 69 -6.892 0.257 -13.359 1.00 0.00 N ATOM 580 CD2 HIS A 69 -4.669 -0.122 -13.041 1.00 0.00 C ATOM 581 CE1 HIS A 69 -6.049 0.971 -14.168 1.00 0.00 C ATOM 582 NE2 HIS A 69 -4.694 0.813 -14.065 1.00 0.00 N ATOM 0 H HIS A 69 -7.096 -1.963 -9.132 1.00 0.00 H new ATOM 0 HA HIS A 69 -4.846 -2.729 -10.903 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -6.851 -2.294 -11.960 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -7.223 -0.917 -10.942 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -3.765 -0.540 -12.624 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -6.456 1.662 -14.891 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -3.933 1.250 -14.584 1.00 0.00 H new ATOM 590 N LEU A 70 -3.088 -1.334 -9.881 1.00 0.00 N ATOM 591 CA LEU A 70 -1.954 -0.506 -9.400 1.00 0.00 C ATOM 592 C LEU A 70 -1.124 -0.065 -10.632 1.00 0.00 C ATOM 593 O LEU A 70 -0.401 -0.872 -11.227 1.00 0.00 O ATOM 594 CB LEU A 70 -1.152 -1.342 -8.357 1.00 0.00 C ATOM 595 CG LEU A 70 -0.053 -0.650 -7.502 1.00 0.00 C ATOM 596 CD1 LEU A 70 1.247 -0.351 -8.274 1.00 0.00 C ATOM 597 CD2 LEU A 70 -0.565 0.586 -6.736 1.00 0.00 C ATOM 0 H LEU A 70 -2.808 -2.261 -10.201 1.00 0.00 H new ATOM 0 HA LEU A 70 -2.276 0.404 -8.894 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -1.873 -1.782 -7.668 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -0.679 -2.165 -8.893 1.00 0.00 H new ATOM 0 HG LEU A 70 0.212 -1.396 -6.752 1.00 0.00 H new ATOM 0 HD11 LEU A 70 1.963 0.131 -7.608 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.671 -1.283 -8.648 1.00 0.00 H new ATOM 0 HD13 LEU A 70 1.028 0.310 -9.112 1.00 0.00 H new ATOM 0 HD21 LEU A 70 0.252 1.021 -6.160 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -0.942 1.323 -7.445 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -1.367 0.289 -6.061 1.00 0.00 H new ATOM 609 N GLN A 71 -1.231 1.227 -10.989 1.00 0.00 N ATOM 610 CA GLN A 71 -0.457 1.824 -12.107 1.00 0.00 C ATOM 611 C GLN A 71 0.702 2.667 -11.512 1.00 0.00 C ATOM 612 O GLN A 71 0.467 3.732 -10.933 1.00 0.00 O ATOM 613 CB GLN A 71 -1.403 2.678 -12.992 1.00 0.00 C ATOM 614 CG GLN A 71 -0.762 3.153 -14.318 1.00 0.00 C ATOM 615 CD GLN A 71 -1.651 4.090 -15.148 1.00 0.00 C ATOM 616 OE1 GLN A 71 -1.450 5.304 -15.166 1.00 0.00 O ATOM 617 NE2 GLN A 71 -2.636 3.560 -15.859 1.00 0.00 N ATOM 0 H GLN A 71 -1.850 1.888 -10.519 1.00 0.00 H new ATOM 0 HA GLN A 71 -0.027 1.049 -12.741 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -2.296 2.096 -13.220 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -1.727 3.550 -12.424 1.00 0.00 H new ATOM 0 HG2 GLN A 71 0.174 3.664 -14.093 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -0.512 2.280 -14.921 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -2.795 2.553 -15.838 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -3.235 4.159 -16.427 1.00 0.00 H new ATOM 626 N THR A 72 1.950 2.207 -11.714 1.00 0.00 N ATOM 627 CA THR A 72 3.161 3.011 -11.394 1.00 0.00 C ATOM 628 C THR A 72 3.526 3.830 -12.668 1.00 0.00 C ATOM 629 O THR A 72 3.841 3.265 -13.721 1.00 0.00 O ATOM 630 CB THR A 72 4.342 2.105 -10.932 1.00 0.00 C ATOM 631 OG1 THR A 72 3.935 1.210 -9.900 1.00 0.00 O ATOM 632 CG2 THR A 72 5.552 2.890 -10.396 1.00 0.00 C ATOM 0 H THR A 72 2.154 1.284 -12.097 1.00 0.00 H new ATOM 0 HA THR A 72 2.959 3.685 -10.561 1.00 0.00 H new ATOM 0 HB THR A 72 4.640 1.567 -11.832 1.00 0.00 H new ATOM 0 HG1 THR A 72 4.642 0.550 -9.742 1.00 0.00 H new ATOM 0 HG21 THR A 72 6.333 2.193 -10.094 1.00 0.00 H new ATOM 0 HG22 THR A 72 5.934 3.547 -11.177 1.00 0.00 H new ATOM 0 HG23 THR A 72 5.247 3.487 -9.537 1.00 0.00 H new ATOM 640 N SER A 73 3.475 5.165 -12.545 1.00 0.00 N ATOM 641 CA SER A 73 3.760 6.104 -13.661 1.00 0.00 C ATOM 642 C SER A 73 4.702 7.240 -13.174 1.00 0.00 C ATOM 643 O SER A 73 4.706 7.632 -12.001 1.00 0.00 O ATOM 644 CB SER A 73 2.418 6.644 -14.211 1.00 0.00 C ATOM 645 OG SER A 73 2.621 7.387 -15.409 1.00 0.00 O ATOM 0 H SER A 73 3.235 5.633 -11.671 1.00 0.00 H new ATOM 0 HA SER A 73 4.278 5.592 -14.472 1.00 0.00 H new ATOM 0 HB2 SER A 73 1.739 5.813 -14.404 1.00 0.00 H new ATOM 0 HB3 SER A 73 1.942 7.277 -13.462 1.00 0.00 H new ATOM 0 HG SER A 73 1.759 7.717 -15.739 1.00 0.00 H new ATOM 651 N LEU A 74 5.480 7.798 -14.120 1.00 0.00 N ATOM 652 CA LEU A 74 6.380 8.953 -13.860 1.00 0.00 C ATOM 653 C LEU A 74 5.575 10.270 -13.649 1.00 0.00 C ATOM 654 O LEU A 74 4.614 10.560 -14.369 1.00 0.00 O ATOM 655 CB LEU A 74 7.370 9.076 -15.056 1.00 0.00 C ATOM 656 CG LEU A 74 8.565 10.060 -14.918 1.00 0.00 C ATOM 657 CD1 LEU A 74 9.553 9.647 -13.811 1.00 0.00 C ATOM 658 CD2 LEU A 74 9.303 10.201 -16.264 1.00 0.00 C ATOM 0 H LEU A 74 5.508 7.468 -15.085 1.00 0.00 H new ATOM 0 HA LEU A 74 6.936 8.784 -12.938 1.00 0.00 H new ATOM 0 HB2 LEU A 74 7.776 8.084 -15.256 1.00 0.00 H new ATOM 0 HB3 LEU A 74 6.796 9.369 -15.935 1.00 0.00 H new ATOM 0 HG LEU A 74 8.147 11.024 -14.628 1.00 0.00 H new ATOM 0 HD11 LEU A 74 10.366 10.371 -13.761 1.00 0.00 H new ATOM 0 HD12 LEU A 74 9.034 9.617 -12.853 1.00 0.00 H new ATOM 0 HD13 LEU A 74 9.959 8.660 -14.035 1.00 0.00 H new ATOM 0 HD21 LEU A 74 10.137 10.893 -16.151 1.00 0.00 H new ATOM 0 HD22 LEU A 74 9.680 9.227 -16.576 1.00 0.00 H new ATOM 0 HD23 LEU A 74 8.615 10.582 -17.018 1.00 0.00 H new ATOM 670 N GLU A 75 6.032 11.079 -12.677 1.00 0.00 N ATOM 671 CA GLU A 75 5.507 12.457 -12.434 1.00 0.00 C ATOM 672 C GLU A 75 5.614 13.471 -13.628 1.00 0.00 C ATOM 673 O GLU A 75 4.674 14.242 -13.855 1.00 0.00 O ATOM 674 CB GLU A 75 6.197 12.949 -11.134 1.00 0.00 C ATOM 675 CG GLU A 75 5.600 14.232 -10.503 1.00 0.00 C ATOM 676 CD GLU A 75 6.240 14.619 -9.179 1.00 0.00 C ATOM 677 OE1 GLU A 75 7.405 15.071 -9.181 1.00 0.00 O ATOM 678 OE2 GLU A 75 5.569 14.492 -8.134 1.00 0.00 O ATOM 0 H GLU A 75 6.774 10.807 -12.032 1.00 0.00 H new ATOM 0 HA GLU A 75 4.423 12.406 -12.327 1.00 0.00 H new ATOM 0 HB2 GLU A 75 6.153 12.148 -10.396 1.00 0.00 H new ATOM 0 HB3 GLU A 75 7.251 13.128 -11.349 1.00 0.00 H new ATOM 0 HG2 GLU A 75 5.713 15.058 -11.206 1.00 0.00 H new ATOM 0 HG3 GLU A 75 4.531 14.087 -10.350 1.00 0.00 H new ATOM 685 N ASN A 76 6.717 13.430 -14.405 1.00 0.00 N ATOM 686 CA ASN A 76 6.835 14.140 -15.707 1.00 0.00 C ATOM 687 C ASN A 76 5.836 13.630 -16.801 1.00 0.00 C ATOM 688 O ASN A 76 5.126 14.463 -17.373 1.00 0.00 O ATOM 689 CB ASN A 76 8.324 14.083 -16.155 1.00 0.00 C ATOM 690 CG ASN A 76 8.697 15.009 -17.331 1.00 0.00 C ATOM 691 OD1 ASN A 76 8.444 14.696 -18.495 1.00 0.00 O ATOM 692 ND2 ASN A 76 9.306 16.152 -17.057 1.00 0.00 N ATOM 0 H ASN A 76 7.554 12.905 -14.152 1.00 0.00 H new ATOM 0 HA ASN A 76 6.538 15.180 -15.570 1.00 0.00 H new ATOM 0 HB2 ASN A 76 8.953 14.337 -15.301 1.00 0.00 H new ATOM 0 HB3 ASN A 76 8.563 13.057 -16.433 1.00 0.00 H new ATOM 0 HD21 ASN A 76 9.570 16.783 -17.813 1.00 0.00 H new ATOM 0 HD22 ASN A 76 9.511 16.402 -16.089 1.00 0.00 H new ATOM 699 N GLY A 77 5.782 12.312 -17.098 1.00 0.00 N ATOM 700 CA GLY A 77 4.890 11.788 -18.156 1.00 0.00 C ATOM 701 C GLY A 77 4.837 10.251 -18.257 1.00 0.00 C ATOM 702 O GLY A 77 3.809 9.650 -17.933 1.00 0.00 O ATOM 0 H GLY A 77 6.339 11.599 -16.626 1.00 0.00 H new ATOM 0 HA2 GLY A 77 3.881 12.161 -17.978 1.00 0.00 H new ATOM 0 HA3 GLY A 77 5.214 12.190 -19.116 1.00 0.00 H new ATOM 706 N THR A 78 5.922 9.641 -18.772 1.00 0.00 N ATOM 707 CA THR A 78 5.909 8.257 -19.333 1.00 0.00 C ATOM 708 C THR A 78 5.574 7.151 -18.280 1.00 0.00 C ATOM 709 O THR A 78 6.105 7.151 -17.167 1.00 0.00 O ATOM 710 CB THR A 78 7.287 7.987 -20.027 1.00 0.00 C ATOM 711 OG1 THR A 78 7.599 9.026 -20.954 1.00 0.00 O ATOM 712 CG2 THR A 78 7.379 6.668 -20.820 1.00 0.00 C ATOM 0 H THR A 78 6.838 10.087 -18.815 1.00 0.00 H new ATOM 0 HA THR A 78 5.099 8.201 -20.061 1.00 0.00 H new ATOM 0 HB THR A 78 7.984 7.935 -19.191 1.00 0.00 H new ATOM 0 HG1 THR A 78 8.464 8.840 -21.375 1.00 0.00 H new ATOM 0 HG21 THR A 78 8.372 6.577 -21.261 1.00 0.00 H new ATOM 0 HG22 THR A 78 7.201 5.827 -20.150 1.00 0.00 H new ATOM 0 HG23 THR A 78 6.629 6.666 -21.611 1.00 0.00 H new ATOM 720 N ARG A 79 4.732 6.180 -18.684 1.00 0.00 N ATOM 721 CA ARG A 79 4.459 4.948 -17.889 1.00 0.00 C ATOM 722 C ARG A 79 5.732 4.065 -17.653 1.00 0.00 C ATOM 723 O ARG A 79 6.331 3.544 -18.600 1.00 0.00 O ATOM 724 CB ARG A 79 3.300 4.132 -18.541 1.00 0.00 C ATOM 725 CG ARG A 79 3.489 3.662 -20.014 1.00 0.00 C ATOM 726 CD ARG A 79 2.580 2.507 -20.471 1.00 0.00 C ATOM 727 NE ARG A 79 1.142 2.883 -20.553 1.00 0.00 N ATOM 728 CZ ARG A 79 0.438 3.048 -21.666 1.00 0.00 C ATOM 729 NH1 ARG A 79 0.979 3.289 -22.834 1.00 0.00 N ATOM 730 NH2 ARG A 79 -0.857 2.973 -21.582 1.00 0.00 N ATOM 0 H ARG A 79 4.220 6.219 -19.565 1.00 0.00 H new ATOM 0 HA ARG A 79 4.146 5.271 -16.896 1.00 0.00 H new ATOM 0 HB2 ARG A 79 3.124 3.249 -17.927 1.00 0.00 H new ATOM 0 HB3 ARG A 79 2.395 4.738 -18.495 1.00 0.00 H new ATOM 0 HG2 ARG A 79 3.320 4.514 -20.672 1.00 0.00 H new ATOM 0 HG3 ARG A 79 4.527 3.357 -20.148 1.00 0.00 H new ATOM 0 HD2 ARG A 79 2.913 2.158 -21.448 1.00 0.00 H new ATOM 0 HD3 ARG A 79 2.691 1.672 -19.779 1.00 0.00 H new ATOM 0 HE ARG A 79 0.651 3.027 -19.671 1.00 0.00 H new ATOM 0 HH11 ARG A 79 1.993 3.359 -22.922 1.00 0.00 H new ATOM 0 HH12 ARG A 79 0.387 3.407 -23.656 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -1.300 2.792 -20.681 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -1.430 3.095 -22.417 1.00 0.00 H new ATOM 744 N VAL A 80 6.128 3.903 -16.380 1.00 0.00 N ATOM 745 CA VAL A 80 7.283 3.030 -15.997 1.00 0.00 C ATOM 746 C VAL A 80 6.893 1.516 -15.912 1.00 0.00 C ATOM 747 O VAL A 80 7.590 0.692 -16.507 1.00 0.00 O ATOM 748 CB VAL A 80 8.097 3.580 -14.778 1.00 0.00 C ATOM 749 CG1 VAL A 80 8.745 4.955 -15.064 1.00 0.00 C ATOM 750 CG2 VAL A 80 7.326 3.656 -13.445 1.00 0.00 C ATOM 0 H VAL A 80 5.674 4.359 -15.588 1.00 0.00 H new ATOM 0 HA VAL A 80 7.996 3.077 -16.820 1.00 0.00 H new ATOM 0 HB VAL A 80 8.871 2.824 -14.651 1.00 0.00 H new ATOM 0 HG11 VAL A 80 9.296 5.287 -14.184 1.00 0.00 H new ATOM 0 HG12 VAL A 80 9.428 4.867 -15.909 1.00 0.00 H new ATOM 0 HG13 VAL A 80 7.968 5.681 -15.301 1.00 0.00 H new ATOM 0 HG21 VAL A 80 7.981 4.050 -12.668 1.00 0.00 H new ATOM 0 HG22 VAL A 80 6.464 4.313 -13.560 1.00 0.00 H new ATOM 0 HG23 VAL A 80 6.987 2.659 -13.163 1.00 0.00 H new ATOM 760 N GLN A 81 5.779 1.166 -15.235 1.00 0.00 N ATOM 761 CA GLN A 81 5.137 -0.172 -15.349 1.00 0.00 C ATOM 762 C GLN A 81 3.598 0.012 -15.232 1.00 0.00 C ATOM 763 O GLN A 81 3.093 0.485 -14.207 1.00 0.00 O ATOM 764 CB GLN A 81 5.684 -1.256 -14.375 1.00 0.00 C ATOM 765 CG GLN A 81 5.627 -0.983 -12.854 1.00 0.00 C ATOM 766 CD GLN A 81 6.065 -2.187 -11.998 1.00 0.00 C ATOM 767 OE1 GLN A 81 7.183 -2.690 -12.116 1.00 0.00 O ATOM 768 NE2 GLN A 81 5.204 -2.673 -11.117 1.00 0.00 N ATOM 0 H GLN A 81 5.296 1.797 -14.595 1.00 0.00 H new ATOM 0 HA GLN A 81 5.398 -0.576 -16.327 1.00 0.00 H new ATOM 0 HB2 GLN A 81 5.136 -2.179 -14.566 1.00 0.00 H new ATOM 0 HB3 GLN A 81 6.725 -1.443 -14.639 1.00 0.00 H new ATOM 0 HG2 GLN A 81 6.265 -0.130 -12.622 1.00 0.00 H new ATOM 0 HG3 GLN A 81 4.609 -0.704 -12.581 1.00 0.00 H new ATOM 0 HE21 GLN A 81 4.279 -2.253 -11.023 1.00 0.00 H new ATOM 0 HE22 GLN A 81 5.466 -3.467 -10.533 1.00 0.00 H new ATOM 777 N GLU A 82 2.858 -0.386 -16.283 1.00 0.00 N ATOM 778 CA GLU A 82 1.367 -0.405 -16.269 1.00 0.00 C ATOM 779 C GLU A 82 0.850 -1.875 -16.182 1.00 0.00 C ATOM 780 O GLU A 82 0.513 -2.502 -17.191 1.00 0.00 O ATOM 781 CB GLU A 82 0.879 0.409 -17.495 1.00 0.00 C ATOM 782 CG GLU A 82 -0.653 0.658 -17.564 1.00 0.00 C ATOM 783 CD GLU A 82 -1.054 1.725 -18.566 1.00 0.00 C ATOM 784 OE1 GLU A 82 -0.543 2.860 -18.476 1.00 0.00 O ATOM 785 OE2 GLU A 82 -1.814 1.440 -19.511 1.00 0.00 O ATOM 0 H GLU A 82 3.264 -0.703 -17.164 1.00 0.00 H new ATOM 0 HA GLU A 82 0.947 0.075 -15.385 1.00 0.00 H new ATOM 0 HB2 GLU A 82 1.387 1.373 -17.495 1.00 0.00 H new ATOM 0 HB3 GLU A 82 1.186 -0.113 -18.401 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -1.153 -0.276 -17.822 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -1.010 0.948 -16.576 1.00 0.00 H new ATOM 792 N GLU A 83 0.792 -2.408 -14.949 1.00 0.00 N ATOM 793 CA GLU A 83 0.269 -3.770 -14.665 1.00 0.00 C ATOM 794 C GLU A 83 -1.077 -3.635 -13.871 1.00 0.00 C ATOM 795 O GLU A 83 -1.012 -3.382 -12.658 1.00 0.00 O ATOM 796 CB GLU A 83 1.377 -4.568 -13.918 1.00 0.00 C ATOM 797 CG GLU A 83 1.029 -6.035 -13.542 1.00 0.00 C ATOM 798 CD GLU A 83 0.755 -6.971 -14.711 1.00 0.00 C ATOM 799 OE1 GLU A 83 -0.397 -7.000 -15.193 1.00 0.00 O ATOM 800 OE2 GLU A 83 1.686 -7.685 -15.140 1.00 0.00 O ATOM 0 H GLU A 83 1.105 -1.911 -14.115 1.00 0.00 H new ATOM 0 HA GLU A 83 0.035 -4.328 -15.571 1.00 0.00 H new ATOM 0 HB2 GLU A 83 2.272 -4.577 -14.540 1.00 0.00 H new ATOM 0 HB3 GLU A 83 1.630 -4.030 -13.004 1.00 0.00 H new ATOM 0 HG2 GLU A 83 1.852 -6.446 -12.958 1.00 0.00 H new ATOM 0 HG3 GLU A 83 0.152 -6.026 -12.895 1.00 0.00 H new ATOM 807 N PRO A 84 -2.299 -3.791 -14.466 1.00 0.00 N ATOM 808 CA PRO A 84 -3.584 -3.605 -13.728 1.00 0.00 C ATOM 809 C PRO A 84 -4.052 -4.816 -12.854 1.00 0.00 C ATOM 810 O PRO A 84 -5.210 -5.241 -12.922 1.00 0.00 O ATOM 811 CB PRO A 84 -4.534 -3.238 -14.891 1.00 0.00 C ATOM 812 CG PRO A 84 -4.002 -4.003 -16.102 1.00 0.00 C ATOM 813 CD PRO A 84 -2.487 -3.964 -15.921 1.00 0.00 C ATOM 0 HA PRO A 84 -3.523 -2.851 -12.943 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -5.561 -3.524 -14.665 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -4.535 -2.163 -15.074 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -4.376 -5.027 -16.124 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -4.305 -3.532 -17.037 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -2.020 -4.883 -16.276 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -2.040 -3.142 -16.481 1.00 0.00 H new ATOM 821 N GLU A 85 -3.145 -5.340 -12.005 1.00 0.00 N ATOM 822 CA GLU A 85 -3.419 -6.495 -11.113 1.00 0.00 C ATOM 823 C GLU A 85 -2.357 -6.529 -9.975 1.00 0.00 C ATOM 824 O GLU A 85 -1.153 -6.690 -10.222 1.00 0.00 O ATOM 825 CB GLU A 85 -3.467 -7.839 -11.905 1.00 0.00 C ATOM 826 CG GLU A 85 -4.193 -9.006 -11.181 1.00 0.00 C ATOM 827 CD GLU A 85 -5.688 -8.793 -11.001 1.00 0.00 C ATOM 828 OE1 GLU A 85 -6.089 -8.056 -10.077 1.00 0.00 O ATOM 829 OE2 GLU A 85 -6.483 -9.261 -11.838 1.00 0.00 O ATOM 0 H GLU A 85 -2.197 -4.975 -11.915 1.00 0.00 H new ATOM 0 HA GLU A 85 -4.406 -6.371 -10.668 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -3.961 -7.662 -12.861 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -2.446 -8.149 -12.126 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -4.033 -9.925 -11.746 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -3.737 -9.151 -10.201 1.00 0.00 H new ATOM 836 N LEU A 86 -2.824 -6.370 -8.728 1.00 0.00 N ATOM 837 CA LEU A 86 -1.959 -6.366 -7.521 1.00 0.00 C ATOM 838 C LEU A 86 -2.853 -6.912 -6.375 1.00 0.00 C ATOM 839 O LEU A 86 -3.741 -6.218 -5.867 1.00 0.00 O ATOM 840 CB LEU A 86 -1.367 -4.939 -7.294 1.00 0.00 C ATOM 841 CG LEU A 86 -0.296 -4.704 -6.192 1.00 0.00 C ATOM 842 CD1 LEU A 86 -0.850 -4.762 -4.764 1.00 0.00 C ATOM 843 CD2 LEU A 86 0.964 -5.579 -6.334 1.00 0.00 C ATOM 0 H LEU A 86 -3.814 -6.240 -8.519 1.00 0.00 H new ATOM 0 HA LEU A 86 -1.076 -7.000 -7.601 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -0.934 -4.614 -8.240 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.203 -4.272 -7.080 1.00 0.00 H new ATOM 0 HG LEU A 86 0.020 -3.676 -6.369 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -0.042 -4.589 -4.053 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -1.614 -3.995 -4.639 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.288 -5.744 -4.583 1.00 0.00 H new ATOM 0 HD21 LEU A 86 1.658 -5.351 -5.525 1.00 0.00 H new ATOM 0 HD22 LEU A 86 0.684 -6.631 -6.286 1.00 0.00 H new ATOM 0 HD23 LEU A 86 1.443 -5.375 -7.292 1.00 0.00 H new ATOM 855 N VAL A 87 -2.616 -8.183 -6.006 1.00 0.00 N ATOM 856 CA VAL A 87 -3.508 -8.958 -5.095 1.00 0.00 C ATOM 857 C VAL A 87 -2.789 -9.012 -3.713 1.00 0.00 C ATOM 858 O VAL A 87 -1.720 -9.623 -3.599 1.00 0.00 O ATOM 859 CB VAL A 87 -3.807 -10.374 -5.710 1.00 0.00 C ATOM 860 CG1 VAL A 87 -4.692 -11.256 -4.802 1.00 0.00 C ATOM 861 CG2 VAL A 87 -4.496 -10.324 -7.097 1.00 0.00 C ATOM 0 H VAL A 87 -1.804 -8.711 -6.325 1.00 0.00 H new ATOM 0 HA VAL A 87 -4.484 -8.491 -4.966 1.00 0.00 H new ATOM 0 HB VAL A 87 -2.813 -10.809 -5.811 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -4.861 -12.219 -5.284 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -4.192 -11.411 -3.846 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -5.649 -10.761 -4.635 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -4.669 -11.339 -7.454 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -5.449 -9.802 -7.011 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -3.855 -9.795 -7.803 1.00 0.00 H new ATOM 871 N PHE A 88 -3.374 -8.372 -2.680 1.00 0.00 N ATOM 872 CA PHE A 88 -2.738 -8.269 -1.334 1.00 0.00 C ATOM 873 C PHE A 88 -3.780 -8.380 -0.184 1.00 0.00 C ATOM 874 O PHE A 88 -4.860 -7.785 -0.254 1.00 0.00 O ATOM 875 CB PHE A 88 -1.844 -6.994 -1.237 1.00 0.00 C ATOM 876 CG PHE A 88 -2.498 -5.618 -0.967 1.00 0.00 C ATOM 877 CD1 PHE A 88 -2.981 -4.806 -2.000 1.00 0.00 C ATOM 878 CD2 PHE A 88 -2.550 -5.147 0.348 1.00 0.00 C ATOM 879 CE1 PHE A 88 -3.460 -3.525 -1.722 1.00 0.00 C ATOM 880 CE2 PHE A 88 -3.040 -3.877 0.627 1.00 0.00 C ATOM 881 CZ PHE A 88 -3.484 -3.060 -0.407 1.00 0.00 C ATOM 0 H PHE A 88 -4.284 -7.917 -2.744 1.00 0.00 H new ATOM 0 HA PHE A 88 -2.076 -9.126 -1.207 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -1.113 -7.168 -0.447 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -1.289 -6.913 -2.172 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -2.983 -5.172 -3.016 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -2.206 -5.776 1.155 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -3.812 -2.894 -2.525 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -3.076 -3.524 1.647 1.00 0.00 H new ATOM 0 HZ PHE A 88 -3.847 -2.066 -0.192 1.00 0.00 H new ATOM 891 N THR A 89 -3.399 -9.059 0.918 1.00 0.00 N ATOM 892 CA THR A 89 -4.170 -9.035 2.196 1.00 0.00 C ATOM 893 C THR A 89 -3.853 -7.699 2.931 1.00 0.00 C ATOM 894 O THR A 89 -2.688 -7.428 3.233 1.00 0.00 O ATOM 895 CB THR A 89 -3.837 -10.283 3.075 1.00 0.00 C ATOM 896 OG1 THR A 89 -4.041 -11.479 2.326 1.00 0.00 O ATOM 897 CG2 THR A 89 -4.705 -10.398 4.341 1.00 0.00 C ATOM 0 H THR A 89 -2.559 -9.636 0.956 1.00 0.00 H new ATOM 0 HA THR A 89 -5.240 -9.084 1.992 1.00 0.00 H new ATOM 0 HB THR A 89 -2.797 -10.153 3.375 1.00 0.00 H new ATOM 0 HG1 THR A 89 -3.828 -12.255 2.885 1.00 0.00 H new ATOM 0 HG21 THR A 89 -4.416 -11.288 4.900 1.00 0.00 H new ATOM 0 HG22 THR A 89 -4.559 -9.515 4.963 1.00 0.00 H new ATOM 0 HG23 THR A 89 -5.755 -10.473 4.057 1.00 0.00 H new ATOM 905 N LEU A 90 -4.877 -6.866 3.216 1.00 0.00 N ATOM 906 CA LEU A 90 -4.661 -5.543 3.867 1.00 0.00 C ATOM 907 C LEU A 90 -4.326 -5.677 5.379 1.00 0.00 C ATOM 908 O LEU A 90 -4.966 -6.447 6.103 1.00 0.00 O ATOM 909 CB LEU A 90 -5.796 -4.524 3.569 1.00 0.00 C ATOM 910 CG LEU A 90 -7.107 -4.506 4.402 1.00 0.00 C ATOM 911 CD1 LEU A 90 -7.970 -3.285 4.028 1.00 0.00 C ATOM 912 CD2 LEU A 90 -7.928 -5.788 4.242 1.00 0.00 C ATOM 0 H LEU A 90 -5.854 -7.077 3.011 1.00 0.00 H new ATOM 0 HA LEU A 90 -3.772 -5.114 3.404 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -5.357 -3.529 3.646 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -6.084 -4.666 2.527 1.00 0.00 H new ATOM 0 HG LEU A 90 -6.808 -4.439 5.448 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -8.884 -3.290 4.622 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -7.412 -2.370 4.228 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -8.225 -3.330 2.969 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -8.832 -5.719 4.847 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -8.201 -5.917 3.195 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -7.336 -6.642 4.571 1.00 0.00 H new ATOM 924 N GLY A 91 -3.290 -4.942 5.815 1.00 0.00 N ATOM 925 CA GLY A 91 -2.668 -5.159 7.140 1.00 0.00 C ATOM 926 C GLY A 91 -1.405 -6.038 7.046 1.00 0.00 C ATOM 927 O GLY A 91 -0.291 -5.535 7.219 1.00 0.00 O ATOM 0 H GLY A 91 -2.863 -4.191 5.272 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -2.408 -4.197 7.581 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -3.390 -5.631 7.807 1.00 0.00 H new ATOM 931 N ASP A 92 -1.595 -7.341 6.754 1.00 0.00 N ATOM 932 CA ASP A 92 -0.473 -8.287 6.471 1.00 0.00 C ATOM 933 C ASP A 92 -0.160 -8.311 4.940 1.00 0.00 C ATOM 934 O ASP A 92 -0.586 -9.208 4.202 1.00 0.00 O ATOM 935 CB ASP A 92 -0.855 -9.686 7.035 1.00 0.00 C ATOM 936 CG ASP A 92 -0.832 -9.826 8.562 1.00 0.00 C ATOM 937 OD1 ASP A 92 -0.030 -9.149 9.250 1.00 0.00 O ATOM 938 OD2 ASP A 92 -1.702 -10.535 9.105 1.00 0.00 O ATOM 0 H ASP A 92 -2.518 -7.773 6.706 1.00 0.00 H new ATOM 0 HA ASP A 92 0.444 -7.963 6.964 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -1.855 -9.937 6.682 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -0.174 -10.424 6.612 1.00 0.00 H new ATOM 943 N CYS A 93 0.553 -7.267 4.479 1.00 0.00 N ATOM 944 CA CYS A 93 0.639 -6.919 3.041 1.00 0.00 C ATOM 945 C CYS A 93 2.099 -7.035 2.538 1.00 0.00 C ATOM 946 O CYS A 93 3.019 -6.435 3.105 1.00 0.00 O ATOM 947 CB CYS A 93 0.068 -5.500 2.853 1.00 0.00 C ATOM 948 SG CYS A 93 1.070 -4.234 3.699 1.00 0.00 S ATOM 0 H CYS A 93 1.084 -6.642 5.085 1.00 0.00 H new ATOM 0 HA CYS A 93 0.052 -7.616 2.443 1.00 0.00 H new ATOM 0 HB2 CYS A 93 0.018 -5.269 1.789 1.00 0.00 H new ATOM 0 HB3 CYS A 93 -0.952 -5.468 3.235 1.00 0.00 H new ATOM 0 HG CYS A 93 2.295 -4.655 3.814 1.00 0.00 H new ATOM 954 N ASP A 94 2.289 -7.807 1.452 1.00 0.00 N ATOM 955 CA ASP A 94 3.623 -8.019 0.821 1.00 0.00 C ATOM 956 C ASP A 94 3.811 -7.063 -0.405 1.00 0.00 C ATOM 957 O ASP A 94 3.752 -7.463 -1.575 1.00 0.00 O ATOM 958 CB ASP A 94 3.704 -9.536 0.501 1.00 0.00 C ATOM 959 CG ASP A 94 5.107 -10.048 0.179 1.00 0.00 C ATOM 960 OD1 ASP A 94 6.062 -9.715 0.915 1.00 0.00 O ATOM 961 OD2 ASP A 94 5.258 -10.798 -0.808 1.00 0.00 O ATOM 0 H ASP A 94 1.532 -8.303 0.982 1.00 0.00 H new ATOM 0 HA ASP A 94 4.457 -7.760 1.474 1.00 0.00 H new ATOM 0 HB2 ASP A 94 3.315 -10.094 1.353 1.00 0.00 H new ATOM 0 HB3 ASP A 94 3.051 -9.750 -0.345 1.00 0.00 H new ATOM 966 N VAL A 95 3.958 -5.762 -0.094 1.00 0.00 N ATOM 967 CA VAL A 95 3.791 -4.653 -1.082 1.00 0.00 C ATOM 968 C VAL A 95 4.798 -3.489 -0.771 1.00 0.00 C ATOM 969 O VAL A 95 5.542 -3.502 0.218 1.00 0.00 O ATOM 970 CB VAL A 95 2.287 -4.178 -1.179 1.00 0.00 C ATOM 971 CG1 VAL A 95 1.305 -5.253 -1.691 1.00 0.00 C ATOM 972 CG2 VAL A 95 1.729 -3.540 0.112 1.00 0.00 C ATOM 0 H VAL A 95 4.195 -5.439 0.844 1.00 0.00 H new ATOM 0 HA VAL A 95 4.039 -5.027 -2.076 1.00 0.00 H new ATOM 0 HB VAL A 95 2.348 -3.396 -1.936 1.00 0.00 H new ATOM 0 HG11 VAL A 95 0.297 -4.839 -1.725 1.00 0.00 H new ATOM 0 HG12 VAL A 95 1.601 -5.569 -2.691 1.00 0.00 H new ATOM 0 HG13 VAL A 95 1.322 -6.111 -1.019 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.692 -3.245 -0.047 1.00 0.00 H new ATOM 0 HG22 VAL A 95 1.780 -4.263 0.926 1.00 0.00 H new ATOM 0 HG23 VAL A 95 2.321 -2.662 0.369 1.00 0.00 H new ATOM 982 N ILE A 96 4.776 -2.446 -1.625 1.00 0.00 N ATOM 983 CA ILE A 96 5.507 -1.163 -1.391 1.00 0.00 C ATOM 984 C ILE A 96 4.952 -0.375 -0.155 1.00 0.00 C ATOM 985 O ILE A 96 3.764 -0.456 0.176 1.00 0.00 O ATOM 986 CB ILE A 96 5.545 -0.279 -2.696 1.00 0.00 C ATOM 987 CG1 ILE A 96 4.143 0.121 -3.257 1.00 0.00 C ATOM 988 CG2 ILE A 96 6.431 -0.927 -3.791 1.00 0.00 C ATOM 989 CD1 ILE A 96 4.121 1.231 -4.319 1.00 0.00 C ATOM 0 H ILE A 96 4.253 -2.460 -2.501 1.00 0.00 H new ATOM 0 HA ILE A 96 6.537 -1.421 -1.145 1.00 0.00 H new ATOM 0 HB ILE A 96 6.001 0.662 -2.387 1.00 0.00 H new ATOM 0 HG12 ILE A 96 3.680 -0.769 -3.684 1.00 0.00 H new ATOM 0 HG13 ILE A 96 3.518 0.436 -2.421 1.00 0.00 H new ATOM 0 HG21 ILE A 96 6.436 -0.293 -4.677 1.00 0.00 H new ATOM 0 HG22 ILE A 96 7.449 -1.037 -3.417 1.00 0.00 H new ATOM 0 HG23 ILE A 96 6.032 -1.908 -4.049 1.00 0.00 H new ATOM 0 HD11 ILE A 96 3.093 1.418 -4.629 1.00 0.00 H new ATOM 0 HD12 ILE A 96 4.545 2.144 -3.900 1.00 0.00 H new ATOM 0 HD13 ILE A 96 4.709 0.920 -5.182 1.00 0.00 H new ATOM 1001 N GLN A 97 5.829 0.399 0.513 1.00 0.00 N ATOM 1002 CA GLN A 97 5.464 1.218 1.706 1.00 0.00 C ATOM 1003 C GLN A 97 4.417 2.362 1.471 1.00 0.00 C ATOM 1004 O GLN A 97 3.650 2.650 2.394 1.00 0.00 O ATOM 1005 CB GLN A 97 6.790 1.712 2.345 1.00 0.00 C ATOM 1006 CG GLN A 97 6.657 2.358 3.739 1.00 0.00 C ATOM 1007 CD GLN A 97 8.000 2.816 4.337 1.00 0.00 C ATOM 1008 OE1 GLN A 97 8.783 3.529 3.706 1.00 0.00 O ATOM 1009 NE2 GLN A 97 8.291 2.435 5.570 1.00 0.00 N ATOM 0 H GLN A 97 6.811 0.480 0.249 1.00 0.00 H new ATOM 0 HA GLN A 97 4.912 0.579 2.395 1.00 0.00 H new ATOM 0 HB2 GLN A 97 7.474 0.866 2.420 1.00 0.00 H new ATOM 0 HB3 GLN A 97 7.250 2.435 1.671 1.00 0.00 H new ATOM 0 HG2 GLN A 97 5.988 3.216 3.670 1.00 0.00 H new ATOM 0 HG3 GLN A 97 6.191 1.644 4.418 1.00 0.00 H new ATOM 0 HE21 GLN A 97 7.640 1.845 6.088 1.00 0.00 H new ATOM 0 HE22 GLN A 97 9.166 2.731 6.002 1.00 0.00 H new ATOM 1018 N ALA A 98 4.339 2.969 0.266 1.00 0.00 N ATOM 1019 CA ALA A 98 3.206 3.854 -0.129 1.00 0.00 C ATOM 1020 C ALA A 98 1.785 3.203 -0.115 1.00 0.00 C ATOM 1021 O ALA A 98 0.844 3.862 0.336 1.00 0.00 O ATOM 1022 CB ALA A 98 3.515 4.473 -1.503 1.00 0.00 C ATOM 0 H ALA A 98 5.049 2.865 -0.458 1.00 0.00 H new ATOM 0 HA ALA A 98 3.141 4.616 0.648 1.00 0.00 H new ATOM 0 HB1 ALA A 98 2.693 5.123 -1.803 1.00 0.00 H new ATOM 0 HB2 ALA A 98 4.434 5.056 -1.441 1.00 0.00 H new ATOM 0 HB3 ALA A 98 3.638 3.680 -2.240 1.00 0.00 H new ATOM 1028 N LEU A 99 1.630 1.927 -0.544 1.00 0.00 N ATOM 1029 CA LEU A 99 0.389 1.129 -0.315 1.00 0.00 C ATOM 1030 C LEU A 99 0.073 0.867 1.190 1.00 0.00 C ATOM 1031 O LEU A 99 -1.031 1.217 1.607 1.00 0.00 O ATOM 1032 CB LEU A 99 0.405 -0.206 -1.120 1.00 0.00 C ATOM 1033 CG LEU A 99 -0.003 -0.131 -2.616 1.00 0.00 C ATOM 1034 CD1 LEU A 99 0.365 -1.441 -3.338 1.00 0.00 C ATOM 1035 CD2 LEU A 99 -1.513 0.139 -2.802 1.00 0.00 C ATOM 0 H LEU A 99 2.353 1.420 -1.055 1.00 0.00 H new ATOM 0 HA LEU A 99 -0.423 1.752 -0.690 1.00 0.00 H new ATOM 0 HB2 LEU A 99 1.410 -0.624 -1.063 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -0.261 -0.910 -0.622 1.00 0.00 H new ATOM 0 HG LEU A 99 0.546 0.705 -3.049 1.00 0.00 H new ATOM 0 HD11 LEU A 99 0.073 -1.373 -4.386 1.00 0.00 H new ATOM 0 HD12 LEU A 99 1.441 -1.604 -3.271 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -0.158 -2.274 -2.869 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -1.747 0.182 -3.866 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -2.086 -0.663 -2.337 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -1.773 1.089 -2.335 1.00 0.00 H new ATOM 1047 N ASP A 100 0.999 0.294 1.994 1.00 0.00 N ATOM 1048 CA ASP A 100 0.788 0.041 3.456 1.00 0.00 C ATOM 1049 C ASP A 100 0.343 1.275 4.324 1.00 0.00 C ATOM 1050 O ASP A 100 -0.647 1.188 5.059 1.00 0.00 O ATOM 1051 CB ASP A 100 2.082 -0.646 3.968 1.00 0.00 C ATOM 1052 CG ASP A 100 2.024 -1.124 5.420 1.00 0.00 C ATOM 1053 OD1 ASP A 100 1.255 -2.058 5.722 1.00 0.00 O ATOM 1054 OD2 ASP A 100 2.742 -0.547 6.264 1.00 0.00 O ATOM 0 H ASP A 100 1.913 -0.008 1.658 1.00 0.00 H new ATOM 0 HA ASP A 100 -0.084 -0.603 3.574 1.00 0.00 H new ATOM 0 HB2 ASP A 100 2.301 -1.501 3.328 1.00 0.00 H new ATOM 0 HB3 ASP A 100 2.913 0.052 3.863 1.00 0.00 H new ATOM 1059 N LEU A 101 1.038 2.418 4.194 1.00 0.00 N ATOM 1060 CA LEU A 101 0.618 3.707 4.820 1.00 0.00 C ATOM 1061 C LEU A 101 -0.739 4.306 4.310 1.00 0.00 C ATOM 1062 O LEU A 101 -1.451 4.912 5.115 1.00 0.00 O ATOM 1063 CB LEU A 101 1.773 4.737 4.703 1.00 0.00 C ATOM 1064 CG LEU A 101 3.098 4.412 5.454 1.00 0.00 C ATOM 1065 CD1 LEU A 101 4.218 5.369 5.009 1.00 0.00 C ATOM 1066 CD2 LEU A 101 2.951 4.448 6.990 1.00 0.00 C ATOM 0 H LEU A 101 1.903 2.486 3.658 1.00 0.00 H new ATOM 0 HA LEU A 101 0.414 3.475 5.865 1.00 0.00 H new ATOM 0 HB2 LEU A 101 2.007 4.863 3.646 1.00 0.00 H new ATOM 0 HB3 LEU A 101 1.407 5.697 5.065 1.00 0.00 H new ATOM 0 HG LEU A 101 3.360 3.388 5.186 1.00 0.00 H new ATOM 0 HD11 LEU A 101 5.137 5.128 5.544 1.00 0.00 H new ATOM 0 HD12 LEU A 101 4.383 5.262 3.937 1.00 0.00 H new ATOM 0 HD13 LEU A 101 3.928 6.396 5.231 1.00 0.00 H new ATOM 0 HD21 LEU A 101 3.909 4.213 7.453 1.00 0.00 H new ATOM 0 HD22 LEU A 101 2.632 5.442 7.302 1.00 0.00 H new ATOM 0 HD23 LEU A 101 2.208 3.714 7.302 1.00 0.00 H new ATOM 1078 N SER A 102 -1.114 4.115 3.024 1.00 0.00 N ATOM 1079 CA SER A 102 -2.485 4.418 2.520 1.00 0.00 C ATOM 1080 C SER A 102 -3.617 3.372 2.813 1.00 0.00 C ATOM 1081 O SER A 102 -4.778 3.709 2.578 1.00 0.00 O ATOM 1082 CB SER A 102 -2.404 4.749 1.010 1.00 0.00 C ATOM 1083 OG SER A 102 -2.130 3.598 0.216 1.00 0.00 O ATOM 0 H SER A 102 -0.486 3.750 2.308 1.00 0.00 H new ATOM 0 HA SER A 102 -2.811 5.275 3.109 1.00 0.00 H new ATOM 0 HB2 SER A 102 -3.345 5.194 0.687 1.00 0.00 H new ATOM 0 HB3 SER A 102 -1.626 5.494 0.845 1.00 0.00 H new ATOM 0 HG SER A 102 -1.773 2.885 0.786 1.00 0.00 H new ATOM 1089 N VAL A 103 -3.340 2.153 3.341 1.00 0.00 N ATOM 1090 CA VAL A 103 -4.380 1.163 3.778 1.00 0.00 C ATOM 1091 C VAL A 103 -5.457 1.744 4.774 1.00 0.00 C ATOM 1092 O VAL A 103 -6.633 1.539 4.457 1.00 0.00 O ATOM 1093 CB VAL A 103 -3.715 -0.197 4.219 1.00 0.00 C ATOM 1094 CG1 VAL A 103 -4.578 -1.128 5.101 1.00 0.00 C ATOM 1095 CG2 VAL A 103 -3.238 -1.038 3.014 1.00 0.00 C ATOM 0 H VAL A 103 -2.386 1.819 3.480 1.00 0.00 H new ATOM 0 HA VAL A 103 -4.989 0.930 2.905 1.00 0.00 H new ATOM 0 HB VAL A 103 -2.881 0.156 4.826 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -4.014 -2.030 5.339 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -4.844 -0.612 6.024 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -5.486 -1.400 4.563 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -2.788 -1.964 3.372 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -4.089 -1.272 2.374 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -2.500 -0.472 2.445 1.00 0.00 H new ATOM 1105 N PRO A 104 -5.177 2.472 5.901 1.00 0.00 N ATOM 1106 CA PRO A 104 -6.233 3.182 6.689 1.00 0.00 C ATOM 1107 C PRO A 104 -7.053 4.338 6.010 1.00 0.00 C ATOM 1108 O PRO A 104 -7.936 4.893 6.669 1.00 0.00 O ATOM 1109 CB PRO A 104 -5.446 3.667 7.927 1.00 0.00 C ATOM 1110 CG PRO A 104 -3.991 3.764 7.471 1.00 0.00 C ATOM 1111 CD PRO A 104 -3.831 2.608 6.490 1.00 0.00 C ATOM 0 HA PRO A 104 -7.059 2.496 6.877 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -5.814 4.633 8.273 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -5.552 2.969 8.758 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -3.786 4.723 6.994 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -3.303 3.672 8.311 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -3.080 2.826 5.731 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -3.518 1.693 6.994 1.00 0.00 H new ATOM 1119 N LEU A 105 -6.811 4.675 4.724 1.00 0.00 N ATOM 1120 CA LEU A 105 -7.701 5.552 3.917 1.00 0.00 C ATOM 1121 C LEU A 105 -7.657 5.175 2.396 1.00 0.00 C ATOM 1122 O LEU A 105 -7.233 5.969 1.550 1.00 0.00 O ATOM 1123 CB LEU A 105 -7.519 7.071 4.244 1.00 0.00 C ATOM 1124 CG LEU A 105 -6.175 7.808 3.956 1.00 0.00 C ATOM 1125 CD1 LEU A 105 -6.362 9.327 4.153 1.00 0.00 C ATOM 1126 CD2 LEU A 105 -4.970 7.340 4.799 1.00 0.00 C ATOM 0 H LEU A 105 -5.992 4.348 4.211 1.00 0.00 H new ATOM 0 HA LEU A 105 -8.730 5.357 4.220 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -8.298 7.608 3.702 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -7.727 7.194 5.307 1.00 0.00 H new ATOM 0 HG LEU A 105 -5.932 7.557 2.923 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -5.421 9.839 3.951 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -7.127 9.691 3.468 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -6.670 9.526 5.180 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -4.087 7.915 4.521 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -5.185 7.493 5.857 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -4.787 6.281 4.615 1.00 0.00 H new ATOM 1138 N MET A 106 -8.147 3.963 2.049 1.00 0.00 N ATOM 1139 CA MET A 106 -8.407 3.544 0.641 1.00 0.00 C ATOM 1140 C MET A 106 -9.760 2.782 0.641 1.00 0.00 C ATOM 1141 O MET A 106 -9.832 1.606 1.013 1.00 0.00 O ATOM 1142 CB MET A 106 -7.264 2.676 0.043 1.00 0.00 C ATOM 1143 CG MET A 106 -6.041 3.470 -0.443 1.00 0.00 C ATOM 1144 SD MET A 106 -6.473 4.467 -1.883 1.00 0.00 S ATOM 1145 CE MET A 106 -5.048 5.569 -1.939 1.00 0.00 C ATOM 0 H MET A 106 -8.376 3.243 2.734 1.00 0.00 H new ATOM 0 HA MET A 106 -8.451 4.425 -0.000 1.00 0.00 H new ATOM 0 HB2 MET A 106 -6.938 1.959 0.797 1.00 0.00 H new ATOM 0 HB3 MET A 106 -7.662 2.101 -0.793 1.00 0.00 H new ATOM 0 HG2 MET A 106 -5.676 4.114 0.357 1.00 0.00 H new ATOM 0 HG3 MET A 106 -5.232 2.785 -0.696 1.00 0.00 H new ATOM 0 HE1 MET A 106 -5.052 6.122 -2.878 1.00 0.00 H new ATOM 0 HE2 MET A 106 -5.097 6.270 -1.105 1.00 0.00 H new ATOM 0 HE3 MET A 106 -4.132 4.983 -1.867 1.00 0.00 H new ATOM 1155 N ASP A 107 -10.832 3.485 0.237 1.00 0.00 N ATOM 1156 CA ASP A 107 -12.237 3.011 0.403 1.00 0.00 C ATOM 1157 C ASP A 107 -12.805 2.312 -0.878 1.00 0.00 C ATOM 1158 O ASP A 107 -12.250 2.407 -1.982 1.00 0.00 O ATOM 1159 CB ASP A 107 -13.081 4.227 0.893 1.00 0.00 C ATOM 1160 CG ASP A 107 -12.897 4.569 2.377 1.00 0.00 C ATOM 1161 OD1 ASP A 107 -11.776 4.924 2.803 1.00 0.00 O ATOM 1162 OD2 ASP A 107 -13.863 4.422 3.153 1.00 0.00 O ATOM 0 H ASP A 107 -10.760 4.397 -0.214 1.00 0.00 H new ATOM 0 HA ASP A 107 -12.283 2.219 1.151 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -12.818 5.100 0.296 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -14.135 4.020 0.708 1.00 0.00 H new ATOM 1167 N VAL A 108 -13.925 1.568 -0.713 1.00 0.00 N ATOM 1168 CA VAL A 108 -14.468 0.674 -1.779 1.00 0.00 C ATOM 1169 C VAL A 108 -15.159 1.558 -2.865 1.00 0.00 C ATOM 1170 O VAL A 108 -16.147 2.242 -2.586 1.00 0.00 O ATOM 1171 CB VAL A 108 -15.381 -0.455 -1.184 1.00 0.00 C ATOM 1172 CG1 VAL A 108 -15.999 -1.374 -2.267 1.00 0.00 C ATOM 1173 CG2 VAL A 108 -14.648 -1.364 -0.170 1.00 0.00 C ATOM 0 H VAL A 108 -14.474 1.565 0.146 1.00 0.00 H new ATOM 0 HA VAL A 108 -13.659 0.129 -2.266 1.00 0.00 H new ATOM 0 HB VAL A 108 -16.170 0.100 -0.676 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -16.619 -2.133 -1.790 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -16.612 -0.778 -2.944 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -15.202 -1.859 -2.831 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -15.336 -2.123 0.203 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -13.804 -1.849 -0.660 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -14.286 -0.762 0.663 1.00 0.00 H new ATOM 1183 N GLY A 109 -14.582 1.543 -4.079 1.00 0.00 N ATOM 1184 CA GLY A 109 -14.922 2.517 -5.145 1.00 0.00 C ATOM 1185 C GLY A 109 -13.910 3.657 -5.437 1.00 0.00 C ATOM 1186 O GLY A 109 -14.152 4.394 -6.397 1.00 0.00 O ATOM 0 H GLY A 109 -13.872 0.864 -4.353 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -15.075 1.961 -6.070 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -15.877 2.975 -4.887 1.00 0.00 H new ATOM 1190 N GLU A 110 -12.820 3.843 -4.655 1.00 0.00 N ATOM 1191 CA GLU A 110 -11.906 5.004 -4.813 1.00 0.00 C ATOM 1192 C GLU A 110 -10.794 4.778 -5.894 1.00 0.00 C ATOM 1193 O GLU A 110 -9.991 3.841 -5.816 1.00 0.00 O ATOM 1194 CB GLU A 110 -11.284 5.359 -3.433 1.00 0.00 C ATOM 1195 CG GLU A 110 -10.684 6.792 -3.385 1.00 0.00 C ATOM 1196 CD GLU A 110 -9.784 7.136 -2.213 1.00 0.00 C ATOM 1197 OE1 GLU A 110 -8.939 6.315 -1.805 1.00 0.00 O ATOM 1198 OE2 GLU A 110 -9.813 8.299 -1.755 1.00 0.00 O ATOM 0 H GLU A 110 -12.550 3.204 -3.907 1.00 0.00 H new ATOM 0 HA GLU A 110 -12.500 5.842 -5.178 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -12.049 5.266 -2.662 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -10.503 4.636 -3.197 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -10.117 6.950 -4.302 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -11.510 7.503 -3.395 1.00 0.00 H new ATOM 1205 N THR A 111 -10.721 5.727 -6.843 1.00 0.00 N ATOM 1206 CA THR A 111 -9.505 5.977 -7.668 1.00 0.00 C ATOM 1207 C THR A 111 -8.788 7.214 -7.047 1.00 0.00 C ATOM 1208 O THR A 111 -9.413 8.262 -6.843 1.00 0.00 O ATOM 1209 CB THR A 111 -9.902 6.219 -9.155 1.00 0.00 C ATOM 1210 OG1 THR A 111 -10.636 5.105 -9.654 1.00 0.00 O ATOM 1211 CG2 THR A 111 -8.718 6.444 -10.109 1.00 0.00 C ATOM 0 H THR A 111 -11.499 6.348 -7.067 1.00 0.00 H new ATOM 0 HA THR A 111 -8.834 5.118 -7.665 1.00 0.00 H new ATOM 0 HB THR A 111 -10.492 7.135 -9.136 1.00 0.00 H new ATOM 0 HG1 THR A 111 -10.882 5.268 -10.589 1.00 0.00 H new ATOM 0 HG21 THR A 111 -9.091 6.604 -11.121 1.00 0.00 H new ATOM 0 HG22 THR A 111 -8.153 7.319 -9.788 1.00 0.00 H new ATOM 0 HG23 THR A 111 -8.069 5.569 -10.096 1.00 0.00 H new ATOM 1219 N ALA A 112 -7.480 7.087 -6.753 1.00 0.00 N ATOM 1220 CA ALA A 112 -6.679 8.196 -6.173 1.00 0.00 C ATOM 1221 C ALA A 112 -5.180 8.010 -6.519 1.00 0.00 C ATOM 1222 O ALA A 112 -4.579 6.983 -6.183 1.00 0.00 O ATOM 1223 CB ALA A 112 -6.878 8.278 -4.644 1.00 0.00 C ATOM 0 H ALA A 112 -6.950 6.229 -6.906 1.00 0.00 H new ATOM 0 HA ALA A 112 -7.024 9.134 -6.607 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -6.281 9.097 -4.243 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -7.931 8.454 -4.423 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -6.562 7.341 -4.185 1.00 0.00 H new ATOM 1229 N MET A 113 -4.571 9.033 -7.155 1.00 0.00 N ATOM 1230 CA MET A 113 -3.113 9.049 -7.461 1.00 0.00 C ATOM 1231 C MET A 113 -2.285 9.405 -6.190 1.00 0.00 C ATOM 1232 O MET A 113 -2.613 10.360 -5.478 1.00 0.00 O ATOM 1233 CB MET A 113 -2.815 9.946 -8.695 1.00 0.00 C ATOM 1234 CG MET A 113 -2.735 11.466 -8.457 1.00 0.00 C ATOM 1235 SD MET A 113 -2.844 12.379 -10.014 1.00 0.00 S ATOM 1236 CE MET A 113 -1.153 12.266 -10.627 1.00 0.00 C ATOM 0 H MET A 113 -5.065 9.867 -7.471 1.00 0.00 H new ATOM 0 HA MET A 113 -2.791 8.048 -7.747 1.00 0.00 H new ATOM 0 HB2 MET A 113 -1.869 9.622 -9.128 1.00 0.00 H new ATOM 0 HB3 MET A 113 -3.587 9.761 -9.442 1.00 0.00 H new ATOM 0 HG2 MET A 113 -3.543 11.776 -7.794 1.00 0.00 H new ATOM 0 HG3 MET A 113 -1.799 11.709 -7.955 1.00 0.00 H new ATOM 0 HE1 MET A 113 -1.076 12.787 -11.582 1.00 0.00 H new ATOM 0 HE2 MET A 113 -0.474 12.724 -9.908 1.00 0.00 H new ATOM 0 HE3 MET A 113 -0.884 11.218 -10.763 1.00 0.00 H new ATOM 1246 N VAL A 114 -1.232 8.617 -5.912 1.00 0.00 N ATOM 1247 CA VAL A 114 -0.477 8.693 -4.634 1.00 0.00 C ATOM 1248 C VAL A 114 0.937 9.215 -5.014 1.00 0.00 C ATOM 1249 O VAL A 114 1.811 8.433 -5.401 1.00 0.00 O ATOM 1250 CB VAL A 114 -0.496 7.329 -3.855 1.00 0.00 C ATOM 1251 CG1 VAL A 114 0.339 7.371 -2.554 1.00 0.00 C ATOM 1252 CG2 VAL A 114 -1.921 6.852 -3.480 1.00 0.00 C ATOM 0 H VAL A 114 -0.876 7.912 -6.557 1.00 0.00 H new ATOM 0 HA VAL A 114 -0.934 9.378 -3.920 1.00 0.00 H new ATOM 0 HB VAL A 114 -0.055 6.624 -4.560 1.00 0.00 H new ATOM 0 HG11 VAL A 114 0.289 6.402 -2.058 1.00 0.00 H new ATOM 0 HG12 VAL A 114 1.377 7.602 -2.795 1.00 0.00 H new ATOM 0 HG13 VAL A 114 -0.059 8.139 -1.891 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -1.858 5.905 -2.944 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -2.399 7.597 -2.844 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -2.510 6.718 -4.387 1.00 0.00 H new ATOM 1262 N THR A 115 1.149 10.539 -4.883 1.00 0.00 N ATOM 1263 CA THR A 115 2.466 11.180 -5.157 1.00 0.00 C ATOM 1264 C THR A 115 3.333 11.091 -3.873 1.00 0.00 C ATOM 1265 O THR A 115 3.121 11.831 -2.907 1.00 0.00 O ATOM 1266 CB THR A 115 2.332 12.638 -5.687 1.00 0.00 C ATOM 1267 OG1 THR A 115 1.600 13.457 -4.777 1.00 0.00 O ATOM 1268 CG2 THR A 115 1.687 12.730 -7.081 1.00 0.00 C ATOM 0 H THR A 115 0.426 11.195 -4.588 1.00 0.00 H new ATOM 0 HA THR A 115 2.961 10.640 -5.964 1.00 0.00 H new ATOM 0 HB THR A 115 3.355 13.004 -5.775 1.00 0.00 H new ATOM 0 HG1 THR A 115 0.690 13.590 -5.116 1.00 0.00 H new ATOM 0 HG21 THR A 115 1.626 13.775 -7.386 1.00 0.00 H new ATOM 0 HG22 THR A 115 2.293 12.177 -7.799 1.00 0.00 H new ATOM 0 HG23 THR A 115 0.685 12.303 -7.047 1.00 0.00 H new ATOM 1276 N ALA A 116 4.278 10.137 -3.880 1.00 0.00 N ATOM 1277 CA ALA A 116 5.112 9.805 -2.702 1.00 0.00 C ATOM 1278 C ALA A 116 6.607 9.970 -3.047 1.00 0.00 C ATOM 1279 O ALA A 116 7.054 9.540 -4.116 1.00 0.00 O ATOM 1280 CB ALA A 116 4.816 8.356 -2.277 1.00 0.00 C ATOM 0 H ALA A 116 4.489 9.570 -4.701 1.00 0.00 H new ATOM 0 HA ALA A 116 4.876 10.481 -1.880 1.00 0.00 H new ATOM 0 HB1 ALA A 116 5.425 8.100 -1.410 1.00 0.00 H new ATOM 0 HB2 ALA A 116 3.761 8.260 -2.021 1.00 0.00 H new ATOM 0 HB3 ALA A 116 5.053 7.680 -3.099 1.00 0.00 H new ATOM 1286 N ASP A 117 7.378 10.542 -2.104 1.00 0.00 N ATOM 1287 CA ASP A 117 8.863 10.697 -2.203 1.00 0.00 C ATOM 1288 C ASP A 117 9.655 9.429 -2.690 1.00 0.00 C ATOM 1289 O ASP A 117 9.207 8.287 -2.504 1.00 0.00 O ATOM 1290 CB ASP A 117 9.281 11.188 -0.785 1.00 0.00 C ATOM 1291 CG ASP A 117 10.752 11.535 -0.555 1.00 0.00 C ATOM 1292 OD1 ASP A 117 11.365 12.196 -1.417 1.00 0.00 O ATOM 1293 OD2 ASP A 117 11.297 11.141 0.499 1.00 0.00 O ATOM 0 H ASP A 117 6.994 10.918 -1.237 1.00 0.00 H new ATOM 0 HA ASP A 117 9.124 11.402 -2.993 1.00 0.00 H new ATOM 0 HB2 ASP A 117 8.688 12.071 -0.548 1.00 0.00 H new ATOM 0 HB3 ASP A 117 9.003 10.416 -0.068 1.00 0.00 H new ATOM 1298 N SER A 118 10.834 9.650 -3.310 1.00 0.00 N ATOM 1299 CA SER A 118 11.742 8.553 -3.759 1.00 0.00 C ATOM 1300 C SER A 118 12.425 7.820 -2.553 1.00 0.00 C ATOM 1301 O SER A 118 13.579 8.059 -2.190 1.00 0.00 O ATOM 1302 CB SER A 118 12.727 9.123 -4.810 1.00 0.00 C ATOM 1303 OG SER A 118 13.599 10.112 -4.270 1.00 0.00 O ATOM 0 H SER A 118 11.188 10.584 -3.516 1.00 0.00 H new ATOM 0 HA SER A 118 11.167 7.765 -4.245 1.00 0.00 H new ATOM 0 HB2 SER A 118 13.321 8.308 -5.224 1.00 0.00 H new ATOM 0 HB3 SER A 118 12.161 9.556 -5.635 1.00 0.00 H new ATOM 0 HG SER A 118 13.958 9.799 -3.413 1.00 0.00 H new ATOM 1309 N LYS A 119 11.611 6.965 -1.906 1.00 0.00 N ATOM 1310 CA LYS A 119 11.738 6.596 -0.466 1.00 0.00 C ATOM 1311 C LYS A 119 10.616 5.558 -0.107 1.00 0.00 C ATOM 1312 O LYS A 119 10.928 4.436 0.304 1.00 0.00 O ATOM 1313 CB LYS A 119 11.691 7.867 0.449 1.00 0.00 C ATOM 1314 CG LYS A 119 11.898 7.642 1.965 1.00 0.00 C ATOM 1315 CD LYS A 119 11.799 8.978 2.738 1.00 0.00 C ATOM 1316 CE LYS A 119 11.976 8.880 4.264 1.00 0.00 C ATOM 1317 NZ LYS A 119 13.408 8.678 4.618 1.00 0.00 N ATOM 0 H LYS A 119 10.831 6.498 -2.369 1.00 0.00 H new ATOM 0 HA LYS A 119 12.708 6.131 -0.288 1.00 0.00 H new ATOM 0 HB2 LYS A 119 12.454 8.564 0.102 1.00 0.00 H new ATOM 0 HB3 LYS A 119 10.726 8.353 0.306 1.00 0.00 H new ATOM 0 HG2 LYS A 119 11.149 6.944 2.339 1.00 0.00 H new ATOM 0 HG3 LYS A 119 12.873 7.187 2.140 1.00 0.00 H new ATOM 0 HD2 LYS A 119 12.553 9.660 2.346 1.00 0.00 H new ATOM 0 HD3 LYS A 119 10.827 9.425 2.531 1.00 0.00 H new ATOM 0 HE2 LYS A 119 11.605 9.789 4.737 1.00 0.00 H new ATOM 0 HE3 LYS A 119 11.381 8.053 4.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 13.504 8.615 5.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 13.752 7.798 4.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 13.969 9.480 4.266 1.00 0.00 H new ATOM 1331 N TYR A 120 9.330 5.956 -0.243 1.00 0.00 N ATOM 1332 CA TYR A 120 8.146 5.120 0.111 1.00 0.00 C ATOM 1333 C TYR A 120 7.750 4.128 -1.024 1.00 0.00 C ATOM 1334 O TYR A 120 7.602 2.934 -0.752 1.00 0.00 O ATOM 1335 CB TYR A 120 6.936 6.017 0.522 1.00 0.00 C ATOM 1336 CG TYR A 120 7.176 6.948 1.728 1.00 0.00 C ATOM 1337 CD1 TYR A 120 7.153 6.432 3.028 1.00 0.00 C ATOM 1338 CD2 TYR A 120 7.529 8.287 1.529 1.00 0.00 C ATOM 1339 CE1 TYR A 120 7.522 7.229 4.106 1.00 0.00 C ATOM 1340 CE2 TYR A 120 7.898 9.085 2.609 1.00 0.00 C ATOM 1341 CZ TYR A 120 7.911 8.548 3.896 1.00 0.00 C ATOM 1342 OH TYR A 120 8.353 9.306 4.949 1.00 0.00 O ATOM 0 H TYR A 120 9.076 6.875 -0.605 1.00 0.00 H new ATOM 0 HA TYR A 120 8.434 4.512 0.968 1.00 0.00 H new ATOM 0 HB2 TYR A 120 6.652 6.628 -0.335 1.00 0.00 H new ATOM 0 HB3 TYR A 120 6.088 5.371 0.748 1.00 0.00 H new ATOM 0 HD1 TYR A 120 6.847 5.410 3.195 1.00 0.00 H new ATOM 0 HD2 TYR A 120 7.515 8.704 0.533 1.00 0.00 H new ATOM 0 HE1 TYR A 120 7.507 6.824 5.107 1.00 0.00 H new ATOM 0 HE2 TYR A 120 8.173 10.117 2.450 1.00 0.00 H new ATOM 0 HH TYR A 120 8.586 10.203 4.631 1.00 0.00 H new ATOM 1352 N CYS A 121 7.594 4.602 -2.281 1.00 0.00 N ATOM 1353 CA CYS A 121 7.302 3.728 -3.445 1.00 0.00 C ATOM 1354 C CYS A 121 8.489 2.796 -3.825 1.00 0.00 C ATOM 1355 O CYS A 121 8.364 1.579 -3.663 1.00 0.00 O ATOM 1356 CB CYS A 121 6.810 4.597 -4.625 1.00 0.00 C ATOM 1357 SG CYS A 121 5.210 5.366 -4.229 1.00 0.00 S ATOM 0 H CYS A 121 7.666 5.591 -2.518 1.00 0.00 H new ATOM 0 HA CYS A 121 6.503 3.040 -3.167 1.00 0.00 H new ATOM 0 HB2 CYS A 121 7.546 5.370 -4.847 1.00 0.00 H new ATOM 0 HB3 CYS A 121 6.713 3.983 -5.520 1.00 0.00 H new ATOM 0 HG CYS A 121 5.017 6.391 -5.005 1.00 0.00 H new ATOM 1363 N TYR A 122 9.609 3.346 -4.334 1.00 0.00 N ATOM 1364 CA TYR A 122 10.729 2.540 -4.898 1.00 0.00 C ATOM 1365 C TYR A 122 12.082 3.154 -4.446 1.00 0.00 C ATOM 1366 O TYR A 122 12.799 2.514 -3.670 1.00 0.00 O ATOM 1367 CB TYR A 122 10.598 2.357 -6.444 1.00 0.00 C ATOM 1368 CG TYR A 122 9.405 1.488 -6.895 1.00 0.00 C ATOM 1369 CD1 TYR A 122 9.511 0.094 -6.884 1.00 0.00 C ATOM 1370 CD2 TYR A 122 8.190 2.079 -7.260 1.00 0.00 C ATOM 1371 CE1 TYR A 122 8.416 -0.698 -7.221 1.00 0.00 C ATOM 1372 CE2 TYR A 122 7.088 1.286 -7.570 1.00 0.00 C ATOM 1373 CZ TYR A 122 7.204 -0.102 -7.563 1.00 0.00 C ATOM 1374 OH TYR A 122 6.122 -0.881 -7.880 1.00 0.00 O ATOM 0 H TYR A 122 9.770 4.353 -4.370 1.00 0.00 H new ATOM 0 HA TYR A 122 10.684 1.526 -4.501 1.00 0.00 H new ATOM 0 HB2 TYR A 122 10.508 3.340 -6.906 1.00 0.00 H new ATOM 0 HB3 TYR A 122 11.518 1.911 -6.822 1.00 0.00 H new ATOM 0 HD1 TYR A 122 10.447 -0.371 -6.613 1.00 0.00 H new ATOM 0 HD2 TYR A 122 8.107 3.155 -7.301 1.00 0.00 H new ATOM 0 HE1 TYR A 122 8.506 -1.774 -7.217 1.00 0.00 H new ATOM 0 HE2 TYR A 122 6.143 1.747 -7.816 1.00 0.00 H new ATOM 0 HH TYR A 122 5.357 -0.307 -8.093 1.00 0.00 H new ATOM 1384 N GLY A 123 12.428 4.376 -4.902 1.00 0.00 N ATOM 1385 CA GLY A 123 13.611 5.103 -4.410 1.00 0.00 C ATOM 1386 C GLY A 123 14.928 4.826 -5.178 1.00 0.00 C ATOM 1387 O GLY A 123 14.856 4.629 -6.396 1.00 0.00 O ATOM 0 H GLY A 123 11.900 4.880 -5.614 1.00 0.00 H new ATOM 0 HA2 GLY A 123 13.403 6.172 -4.453 1.00 0.00 H new ATOM 0 HA3 GLY A 123 13.762 4.849 -3.361 1.00 0.00 H new ATOM 1391 N PRO A 124 16.138 4.856 -4.543 1.00 0.00 N ATOM 1392 CA PRO A 124 17.436 4.873 -5.269 1.00 0.00 C ATOM 1393 C PRO A 124 17.769 3.499 -5.915 1.00 0.00 C ATOM 1394 O PRO A 124 17.948 2.493 -5.222 1.00 0.00 O ATOM 1395 CB PRO A 124 18.435 5.331 -4.189 1.00 0.00 C ATOM 1396 CG PRO A 124 17.797 4.975 -2.846 1.00 0.00 C ATOM 1397 CD PRO A 124 16.291 5.081 -3.093 1.00 0.00 C ATOM 0 HA PRO A 124 17.447 5.540 -6.131 1.00 0.00 H new ATOM 0 HB2 PRO A 124 19.396 4.831 -4.309 1.00 0.00 H new ATOM 0 HB3 PRO A 124 18.622 6.402 -4.260 1.00 0.00 H new ATOM 0 HG2 PRO A 124 18.077 3.971 -2.528 1.00 0.00 H new ATOM 0 HG3 PRO A 124 18.119 5.659 -2.061 1.00 0.00 H new ATOM 0 HD2 PRO A 124 15.741 4.338 -2.516 1.00 0.00 H new ATOM 0 HD3 PRO A 124 15.909 6.059 -2.800 1.00 0.00 H new ATOM 1405 N GLN A 125 17.763 3.487 -7.263 1.00 0.00 N ATOM 1406 CA GLN A 125 17.731 2.258 -8.104 1.00 0.00 C ATOM 1407 C GLN A 125 16.348 1.554 -7.978 1.00 0.00 C ATOM 1408 O GLN A 125 16.136 0.749 -7.064 1.00 0.00 O ATOM 1409 CB GLN A 125 18.933 1.283 -7.945 1.00 0.00 C ATOM 1410 CG GLN A 125 20.314 1.891 -8.281 1.00 0.00 C ATOM 1411 CD GLN A 125 21.468 0.886 -8.136 1.00 0.00 C ATOM 1412 OE1 GLN A 125 21.767 0.120 -9.051 1.00 0.00 O ATOM 1413 NE2 GLN A 125 22.140 0.868 -6.993 1.00 0.00 N ATOM 0 H GLN A 125 17.780 4.344 -7.815 1.00 0.00 H new ATOM 0 HA GLN A 125 17.860 2.606 -9.129 1.00 0.00 H new ATOM 0 HB2 GLN A 125 18.953 0.919 -6.918 1.00 0.00 H new ATOM 0 HB3 GLN A 125 18.767 0.418 -8.587 1.00 0.00 H new ATOM 0 HG2 GLN A 125 20.298 2.271 -9.302 1.00 0.00 H new ATOM 0 HG3 GLN A 125 20.498 2.743 -7.626 1.00 0.00 H new ATOM 0 HE21 GLN A 125 21.884 1.507 -6.241 1.00 0.00 H new ATOM 0 HE22 GLN A 125 22.913 0.215 -6.866 1.00 0.00 H new ATOM 1422 N GLY A 126 15.413 1.882 -8.891 1.00 0.00 N ATOM 1423 CA GLY A 126 14.051 1.299 -8.884 1.00 0.00 C ATOM 1424 C GLY A 126 13.948 -0.138 -9.447 1.00 0.00 C ATOM 1425 O GLY A 126 14.903 -0.688 -10.008 1.00 0.00 O ATOM 0 H GLY A 126 15.574 2.549 -9.646 1.00 0.00 H new ATOM 0 HA2 GLY A 126 13.678 1.299 -7.860 1.00 0.00 H new ATOM 0 HA3 GLY A 126 13.393 1.947 -9.462 1.00 0.00 H new ATOM 1429 N ARG A 127 12.769 -0.751 -9.250 1.00 0.00 N ATOM 1430 CA ARG A 127 12.602 -2.230 -9.389 1.00 0.00 C ATOM 1431 C ARG A 127 11.946 -2.684 -10.738 1.00 0.00 C ATOM 1432 O ARG A 127 10.919 -3.373 -10.734 1.00 0.00 O ATOM 1433 CB ARG A 127 11.830 -2.748 -8.136 1.00 0.00 C ATOM 1434 CG ARG A 127 12.501 -2.532 -6.755 1.00 0.00 C ATOM 1435 CD ARG A 127 11.622 -3.034 -5.591 1.00 0.00 C ATOM 1436 NE ARG A 127 12.193 -2.631 -4.274 1.00 0.00 N ATOM 1437 CZ ARG A 127 13.048 -3.346 -3.540 1.00 0.00 C ATOM 1438 NH1 ARG A 127 13.537 -4.501 -3.915 1.00 0.00 N ATOM 1439 NH2 ARG A 127 13.422 -2.865 -2.389 1.00 0.00 N ATOM 0 H ARG A 127 11.913 -0.258 -8.995 1.00 0.00 H new ATOM 0 HA ARG A 127 13.592 -2.684 -9.433 1.00 0.00 H new ATOM 0 HB2 ARG A 127 10.853 -2.265 -8.117 1.00 0.00 H new ATOM 0 HB3 ARG A 127 11.655 -3.816 -8.264 1.00 0.00 H new ATOM 0 HG2 ARG A 127 13.459 -3.052 -6.734 1.00 0.00 H new ATOM 0 HG3 ARG A 127 12.711 -1.471 -6.618 1.00 0.00 H new ATOM 0 HD2 ARG A 127 10.614 -2.631 -5.692 1.00 0.00 H new ATOM 0 HD3 ARG A 127 11.537 -4.120 -5.637 1.00 0.00 H new ATOM 0 HE ARG A 127 11.904 -1.727 -3.900 1.00 0.00 H new ATOM 0 HH11 ARG A 127 13.267 -4.902 -4.813 1.00 0.00 H new ATOM 0 HH12 ARG A 127 14.188 -5.000 -3.309 1.00 0.00 H new ATOM 0 HH21 ARG A 127 13.062 -1.965 -2.071 1.00 0.00 H new ATOM 0 HH22 ARG A 127 14.075 -3.388 -1.805 1.00 0.00 H new ATOM 1453 N SER A 128 12.591 -2.356 -11.882 1.00 0.00 N ATOM 1454 CA SER A 128 12.274 -2.914 -13.234 1.00 0.00 C ATOM 1455 C SER A 128 10.879 -2.517 -13.844 1.00 0.00 C ATOM 1456 O SER A 128 9.899 -2.491 -13.094 1.00 0.00 O ATOM 1457 CB SER A 128 12.500 -4.446 -13.325 1.00 0.00 C ATOM 1458 OG SER A 128 13.838 -4.792 -12.983 1.00 0.00 O ATOM 0 H SER A 128 13.360 -1.686 -11.900 1.00 0.00 H new ATOM 0 HA SER A 128 13.006 -2.412 -13.867 1.00 0.00 H new ATOM 0 HB2 SER A 128 11.807 -4.958 -12.657 1.00 0.00 H new ATOM 0 HB3 SER A 128 12.280 -4.789 -14.336 1.00 0.00 H new ATOM 0 HG SER A 128 13.951 -5.763 -13.047 1.00 0.00 H new ATOM 1464 N PRO A 129 10.705 -2.249 -15.174 1.00 0.00 N ATOM 1465 CA PRO A 129 11.787 -2.214 -16.195 1.00 0.00 C ATOM 1466 C PRO A 129 12.659 -0.916 -16.215 1.00 0.00 C ATOM 1467 O PRO A 129 13.885 -1.028 -16.288 1.00 0.00 O ATOM 1468 CB PRO A 129 11.007 -2.458 -17.504 1.00 0.00 C ATOM 1469 CG PRO A 129 9.614 -1.873 -17.266 1.00 0.00 C ATOM 1470 CD PRO A 129 9.363 -2.085 -15.771 1.00 0.00 C ATOM 0 HA PRO A 129 12.560 -2.956 -15.995 1.00 0.00 H new ATOM 0 HB2 PRO A 129 11.497 -1.973 -18.349 1.00 0.00 H new ATOM 0 HB3 PRO A 129 10.951 -3.522 -17.735 1.00 0.00 H new ATOM 0 HG2 PRO A 129 9.577 -0.816 -17.529 1.00 0.00 H new ATOM 0 HG3 PRO A 129 8.862 -2.379 -17.871 1.00 0.00 H new ATOM 0 HD2 PRO A 129 8.839 -1.235 -15.335 1.00 0.00 H new ATOM 0 HD3 PRO A 129 8.744 -2.965 -15.596 1.00 0.00 H new ATOM 1478 N TYR A 130 12.040 0.284 -16.157 1.00 0.00 N ATOM 1479 CA TYR A 130 12.762 1.585 -16.126 1.00 0.00 C ATOM 1480 C TYR A 130 12.157 2.519 -15.034 1.00 0.00 C ATOM 1481 O TYR A 130 11.665 3.612 -15.327 1.00 0.00 O ATOM 1482 CB TYR A 130 12.872 2.207 -17.554 1.00 0.00 C ATOM 1483 CG TYR A 130 11.583 2.457 -18.374 1.00 0.00 C ATOM 1484 CD1 TYR A 130 11.057 1.433 -19.173 1.00 0.00 C ATOM 1485 CD2 TYR A 130 10.958 3.710 -18.373 1.00 0.00 C ATOM 1486 CE1 TYR A 130 9.924 1.659 -19.950 1.00 0.00 C ATOM 1487 CE2 TYR A 130 9.823 3.933 -19.149 1.00 0.00 C ATOM 1488 CZ TYR A 130 9.311 2.908 -19.942 1.00 0.00 C ATOM 1489 OH TYR A 130 8.219 3.136 -20.739 1.00 0.00 O ATOM 0 H TYR A 130 11.025 0.383 -16.130 1.00 0.00 H new ATOM 0 HA TYR A 130 13.797 1.426 -15.823 1.00 0.00 H new ATOM 0 HB2 TYR A 130 13.388 3.162 -17.456 1.00 0.00 H new ATOM 0 HB3 TYR A 130 13.515 1.556 -18.146 1.00 0.00 H new ATOM 0 HD1 TYR A 130 11.533 0.464 -19.186 1.00 0.00 H new ATOM 0 HD2 TYR A 130 11.359 4.509 -17.767 1.00 0.00 H new ATOM 0 HE1 TYR A 130 9.521 0.864 -20.560 1.00 0.00 H new ATOM 0 HE2 TYR A 130 9.340 4.899 -19.136 1.00 0.00 H new ATOM 0 HH TYR A 130 7.433 3.303 -20.178 1.00 0.00 H new ATOM 1499 N ILE A 131 12.250 2.100 -13.754 1.00 0.00 N ATOM 1500 CA ILE A 131 11.774 2.903 -12.592 1.00 0.00 C ATOM 1501 C ILE A 131 13.007 3.762 -12.113 1.00 0.00 C ATOM 1502 O ILE A 131 14.035 3.162 -11.776 1.00 0.00 O ATOM 1503 CB ILE A 131 11.140 1.994 -11.476 1.00 0.00 C ATOM 1504 CG1 ILE A 131 9.952 1.119 -11.990 1.00 0.00 C ATOM 1505 CG2 ILE A 131 10.685 2.839 -10.258 1.00 0.00 C ATOM 1506 CD1 ILE A 131 9.315 0.146 -10.984 1.00 0.00 C ATOM 0 H ILE A 131 12.654 1.201 -13.491 1.00 0.00 H new ATOM 0 HA ILE A 131 10.958 3.572 -12.865 1.00 0.00 H new ATOM 0 HB ILE A 131 11.931 1.310 -11.168 1.00 0.00 H new ATOM 0 HG12 ILE A 131 9.172 1.787 -12.355 1.00 0.00 H new ATOM 0 HG13 ILE A 131 10.302 0.541 -12.845 1.00 0.00 H new ATOM 0 HG21 ILE A 131 10.251 2.184 -9.503 1.00 0.00 H new ATOM 0 HG22 ILE A 131 11.544 3.360 -9.836 1.00 0.00 H new ATOM 0 HG23 ILE A 131 9.940 3.567 -10.578 1.00 0.00 H new ATOM 0 HD11 ILE A 131 8.504 -0.399 -11.468 1.00 0.00 H new ATOM 0 HD12 ILE A 131 10.068 -0.560 -10.634 1.00 0.00 H new ATOM 0 HD13 ILE A 131 8.920 0.706 -10.136 1.00 0.00 H new ATOM 1518 N PRO A 132 12.975 5.129 -12.067 1.00 0.00 N ATOM 1519 CA PRO A 132 14.186 5.959 -11.816 1.00 0.00 C ATOM 1520 C PRO A 132 14.704 6.003 -10.336 1.00 0.00 C ATOM 1521 O PRO A 132 13.923 5.709 -9.421 1.00 0.00 O ATOM 1522 CB PRO A 132 13.722 7.355 -12.290 1.00 0.00 C ATOM 1523 CG PRO A 132 12.211 7.365 -12.071 1.00 0.00 C ATOM 1524 CD PRO A 132 11.795 5.939 -12.426 1.00 0.00 C ATOM 0 HA PRO A 132 15.052 5.546 -12.334 1.00 0.00 H new ATOM 0 HB2 PRO A 132 14.209 8.147 -11.721 1.00 0.00 H new ATOM 0 HB3 PRO A 132 13.970 7.518 -13.339 1.00 0.00 H new ATOM 0 HG2 PRO A 132 11.955 7.614 -11.041 1.00 0.00 H new ATOM 0 HG3 PRO A 132 11.717 8.099 -12.708 1.00 0.00 H new ATOM 0 HD2 PRO A 132 10.912 5.629 -11.867 1.00 0.00 H new ATOM 0 HD3 PRO A 132 11.552 5.845 -13.484 1.00 0.00 H new ATOM 1532 N PRO A 133 15.974 6.421 -10.051 1.00 0.00 N ATOM 1533 CA PRO A 133 16.461 6.664 -8.665 1.00 0.00 C ATOM 1534 C PRO A 133 15.778 7.830 -7.877 1.00 0.00 C ATOM 1535 O PRO A 133 15.409 7.643 -6.716 1.00 0.00 O ATOM 1536 CB PRO A 133 17.982 6.833 -8.862 1.00 0.00 C ATOM 1537 CG PRO A 133 18.158 7.329 -10.297 1.00 0.00 C ATOM 1538 CD PRO A 133 17.007 6.688 -11.074 1.00 0.00 C ATOM 0 HA PRO A 133 16.196 5.839 -8.003 1.00 0.00 H new ATOM 0 HB2 PRO A 133 18.393 7.546 -8.148 1.00 0.00 H new ATOM 0 HB3 PRO A 133 18.505 5.889 -8.707 1.00 0.00 H new ATOM 0 HG2 PRO A 133 18.113 8.417 -10.348 1.00 0.00 H new ATOM 0 HG3 PRO A 133 19.124 7.031 -10.703 1.00 0.00 H new ATOM 0 HD2 PRO A 133 16.633 7.354 -11.851 1.00 0.00 H new ATOM 0 HD3 PRO A 133 17.324 5.769 -11.567 1.00 0.00 H new ATOM 1546 N HIS A 134 15.614 9.001 -8.515 1.00 0.00 N ATOM 1547 CA HIS A 134 14.895 10.177 -7.949 1.00 0.00 C ATOM 1548 C HIS A 134 13.410 10.248 -8.455 1.00 0.00 C ATOM 1549 O HIS A 134 12.871 9.274 -8.994 1.00 0.00 O ATOM 1550 CB HIS A 134 15.780 11.444 -8.191 1.00 0.00 C ATOM 1551 CG HIS A 134 16.027 11.875 -9.646 1.00 0.00 C ATOM 1552 ND1 HIS A 134 15.215 12.730 -10.369 1.00 0.00 N ATOM 1553 CD2 HIS A 134 17.091 11.433 -10.453 1.00 0.00 C ATOM 1554 CE1 HIS A 134 15.868 12.713 -11.573 1.00 0.00 C ATOM 1555 NE2 HIS A 134 17.009 11.966 -11.732 1.00 0.00 N ATOM 0 H HIS A 134 15.979 9.169 -9.452 1.00 0.00 H new ATOM 0 HA HIS A 134 14.766 10.094 -6.870 1.00 0.00 H new ATOM 0 HB2 HIS A 134 15.318 12.281 -7.667 1.00 0.00 H new ATOM 0 HB3 HIS A 134 16.749 11.271 -7.723 1.00 0.00 H new ATOM 0 HD2 HIS A 134 17.871 10.765 -10.120 1.00 0.00 H new ATOM 0 HE1 HIS A 134 15.484 13.290 -12.401 1.00 0.00 H new ATOM 0 HE2 HIS A 134 17.613 11.841 -12.544 1.00 0.00 H new ATOM 1563 N ALA A 135 12.740 11.403 -8.240 1.00 0.00 N ATOM 1564 CA ALA A 135 11.354 11.695 -8.710 1.00 0.00 C ATOM 1565 C ALA A 135 10.260 11.031 -7.831 1.00 0.00 C ATOM 1566 O ALA A 135 10.293 9.820 -7.591 1.00 0.00 O ATOM 1567 CB ALA A 135 11.102 11.460 -10.218 1.00 0.00 C ATOM 0 H ALA A 135 13.152 12.180 -7.723 1.00 0.00 H new ATOM 0 HA ALA A 135 11.269 12.774 -8.580 1.00 0.00 H new ATOM 0 HB1 ALA A 135 10.066 11.701 -10.456 1.00 0.00 H new ATOM 0 HB2 ALA A 135 11.766 12.098 -10.802 1.00 0.00 H new ATOM 0 HB3 ALA A 135 11.296 10.415 -10.461 1.00 0.00 H new ATOM 1573 N ALA A 136 9.280 11.838 -7.377 1.00 0.00 N ATOM 1574 CA ALA A 136 8.171 11.361 -6.513 1.00 0.00 C ATOM 1575 C ALA A 136 7.013 10.775 -7.369 1.00 0.00 C ATOM 1576 O ALA A 136 6.234 11.519 -7.973 1.00 0.00 O ATOM 1577 CB ALA A 136 7.702 12.533 -5.628 1.00 0.00 C ATOM 0 H ALA A 136 9.231 12.833 -7.595 1.00 0.00 H new ATOM 0 HA ALA A 136 8.518 10.551 -5.871 1.00 0.00 H new ATOM 0 HB1 ALA A 136 6.886 12.200 -4.986 1.00 0.00 H new ATOM 0 HB2 ALA A 136 8.532 12.878 -5.011 1.00 0.00 H new ATOM 0 HB3 ALA A 136 7.356 13.350 -6.260 1.00 0.00 H new ATOM 1583 N LEU A 137 6.935 9.433 -7.441 1.00 0.00 N ATOM 1584 CA LEU A 137 6.125 8.723 -8.470 1.00 0.00 C ATOM 1585 C LEU A 137 4.593 8.774 -8.195 1.00 0.00 C ATOM 1586 O LEU A 137 4.143 8.667 -7.050 1.00 0.00 O ATOM 1587 CB LEU A 137 6.576 7.238 -8.608 1.00 0.00 C ATOM 1588 CG LEU A 137 8.039 6.981 -9.080 1.00 0.00 C ATOM 1589 CD1 LEU A 137 9.002 6.716 -7.902 1.00 0.00 C ATOM 1590 CD2 LEU A 137 8.114 5.812 -10.078 1.00 0.00 C ATOM 0 H LEU A 137 7.423 8.809 -6.799 1.00 0.00 H new ATOM 0 HA LEU A 137 6.306 9.255 -9.404 1.00 0.00 H new ATOM 0 HB2 LEU A 137 6.442 6.753 -7.641 1.00 0.00 H new ATOM 0 HB3 LEU A 137 5.903 6.744 -9.309 1.00 0.00 H new ATOM 0 HG LEU A 137 8.357 7.897 -9.578 1.00 0.00 H new ATOM 0 HD11 LEU A 137 10.007 6.543 -8.286 1.00 0.00 H new ATOM 0 HD12 LEU A 137 9.011 7.580 -7.238 1.00 0.00 H new ATOM 0 HD13 LEU A 137 8.668 5.837 -7.350 1.00 0.00 H new ATOM 0 HD21 LEU A 137 9.149 5.662 -10.385 1.00 0.00 H new ATOM 0 HD22 LEU A 137 7.741 4.904 -9.604 1.00 0.00 H new ATOM 0 HD23 LEU A 137 7.505 6.041 -10.953 1.00 0.00 H new ATOM 1602 N CYS A 138 3.814 8.891 -9.287 1.00 0.00 N ATOM 1603 CA CYS A 138 2.330 8.872 -9.254 1.00 0.00 C ATOM 1604 C CYS A 138 1.798 7.410 -9.273 1.00 0.00 C ATOM 1605 O CYS A 138 2.008 6.674 -10.242 1.00 0.00 O ATOM 1606 CB CYS A 138 1.814 9.649 -10.485 1.00 0.00 C ATOM 1607 SG CYS A 138 2.194 11.430 -10.358 1.00 0.00 S ATOM 0 H CYS A 138 4.195 9.002 -10.227 1.00 0.00 H new ATOM 0 HA CYS A 138 1.973 9.340 -8.336 1.00 0.00 H new ATOM 0 HB2 CYS A 138 2.267 9.243 -11.389 1.00 0.00 H new ATOM 0 HB3 CYS A 138 0.737 9.511 -10.578 1.00 0.00 H new ATOM 0 HG CYS A 138 1.746 12.045 -11.412 1.00 0.00 H new ATOM 1613 N LEU A 139 1.131 7.004 -8.178 1.00 0.00 N ATOM 1614 CA LEU A 139 0.712 5.598 -7.944 1.00 0.00 C ATOM 1615 C LEU A 139 -0.830 5.551 -7.832 1.00 0.00 C ATOM 1616 O LEU A 139 -1.400 5.826 -6.771 1.00 0.00 O ATOM 1617 CB LEU A 139 1.394 5.072 -6.648 1.00 0.00 C ATOM 1618 CG LEU A 139 2.729 4.306 -6.781 1.00 0.00 C ATOM 1619 CD1 LEU A 139 2.552 2.902 -7.380 1.00 0.00 C ATOM 1620 CD2 LEU A 139 3.855 5.076 -7.490 1.00 0.00 C ATOM 0 H LEU A 139 0.864 7.638 -7.425 1.00 0.00 H new ATOM 0 HA LEU A 139 1.018 4.958 -8.772 1.00 0.00 H new ATOM 0 HB2 LEU A 139 1.565 5.926 -5.992 1.00 0.00 H new ATOM 0 HB3 LEU A 139 0.685 4.418 -6.141 1.00 0.00 H new ATOM 0 HG LEU A 139 3.062 4.194 -5.749 1.00 0.00 H new ATOM 0 HD11 LEU A 139 3.523 2.411 -7.450 1.00 0.00 H new ATOM 0 HD12 LEU A 139 1.893 2.314 -6.741 1.00 0.00 H new ATOM 0 HD13 LEU A 139 2.114 2.983 -8.375 1.00 0.00 H new ATOM 0 HD21 LEU A 139 4.749 4.455 -7.533 1.00 0.00 H new ATOM 0 HD22 LEU A 139 3.540 5.330 -8.502 1.00 0.00 H new ATOM 0 HD23 LEU A 139 4.075 5.990 -6.938 1.00 0.00 H new ATOM 1632 N GLU A 140 -1.503 5.179 -8.932 1.00 0.00 N ATOM 1633 CA GLU A 140 -2.993 5.166 -8.977 1.00 0.00 C ATOM 1634 C GLU A 140 -3.565 3.853 -8.362 1.00 0.00 C ATOM 1635 O GLU A 140 -3.473 2.772 -8.956 1.00 0.00 O ATOM 1636 CB GLU A 140 -3.500 5.466 -10.408 1.00 0.00 C ATOM 1637 CG GLU A 140 -4.999 5.862 -10.451 1.00 0.00 C ATOM 1638 CD GLU A 140 -5.525 6.203 -11.833 1.00 0.00 C ATOM 1639 OE1 GLU A 140 -5.895 5.275 -12.580 1.00 0.00 O ATOM 1640 OE2 GLU A 140 -5.602 7.406 -12.160 1.00 0.00 O ATOM 0 H GLU A 140 -1.054 4.884 -9.799 1.00 0.00 H new ATOM 0 HA GLU A 140 -3.376 5.970 -8.349 1.00 0.00 H new ATOM 0 HB2 GLU A 140 -2.905 6.272 -10.836 1.00 0.00 H new ATOM 0 HB3 GLU A 140 -3.344 4.587 -11.034 1.00 0.00 H new ATOM 0 HG2 GLU A 140 -5.590 5.041 -10.045 1.00 0.00 H new ATOM 0 HG3 GLU A 140 -5.153 6.720 -9.796 1.00 0.00 H new ATOM 1647 N VAL A 141 -4.151 3.985 -7.156 1.00 0.00 N ATOM 1648 CA VAL A 141 -4.742 2.845 -6.401 1.00 0.00 C ATOM 1649 C VAL A 141 -6.259 2.835 -6.759 1.00 0.00 C ATOM 1650 O VAL A 141 -7.067 3.538 -6.141 1.00 0.00 O ATOM 1651 CB VAL A 141 -4.455 2.947 -4.859 1.00 0.00 C ATOM 1652 CG1 VAL A 141 -4.970 1.707 -4.087 1.00 0.00 C ATOM 1653 CG2 VAL A 141 -2.964 3.151 -4.491 1.00 0.00 C ATOM 0 H VAL A 141 -4.232 4.879 -6.672 1.00 0.00 H new ATOM 0 HA VAL A 141 -4.288 1.895 -6.683 1.00 0.00 H new ATOM 0 HB VAL A 141 -5.001 3.842 -4.560 1.00 0.00 H new ATOM 0 HG11 VAL A 141 -4.750 1.822 -3.026 1.00 0.00 H new ATOM 0 HG12 VAL A 141 -6.047 1.613 -4.226 1.00 0.00 H new ATOM 0 HG13 VAL A 141 -4.476 0.812 -4.465 1.00 0.00 H new ATOM 0 HG21 VAL A 141 -2.861 3.210 -3.407 1.00 0.00 H new ATOM 0 HG22 VAL A 141 -2.379 2.311 -4.866 1.00 0.00 H new ATOM 0 HG23 VAL A 141 -2.601 4.075 -4.941 1.00 0.00 H new ATOM 1663 N THR A 142 -6.610 2.037 -7.783 1.00 0.00 N ATOM 1664 CA THR A 142 -7.999 1.916 -8.296 1.00 0.00 C ATOM 1665 C THR A 142 -8.581 0.614 -7.684 1.00 0.00 C ATOM 1666 O THR A 142 -8.136 -0.487 -8.020 1.00 0.00 O ATOM 1667 CB THR A 142 -7.972 1.919 -9.855 1.00 0.00 C ATOM 1668 OG1 THR A 142 -7.414 3.137 -10.336 1.00 0.00 O ATOM 1669 CG2 THR A 142 -9.345 1.752 -10.526 1.00 0.00 C ATOM 0 H THR A 142 -5.941 1.453 -8.284 1.00 0.00 H new ATOM 0 HA THR A 142 -8.637 2.751 -8.008 1.00 0.00 H new ATOM 0 HB THR A 142 -7.368 1.051 -10.118 1.00 0.00 H new ATOM 0 HG1 THR A 142 -7.401 3.126 -11.316 1.00 0.00 H new ATOM 0 HG21 THR A 142 -9.225 1.766 -11.609 1.00 0.00 H new ATOM 0 HG22 THR A 142 -9.785 0.802 -10.222 1.00 0.00 H new ATOM 0 HG23 THR A 142 -10.000 2.569 -10.223 1.00 0.00 H new ATOM 1677 N LEU A 143 -9.577 0.751 -6.790 1.00 0.00 N ATOM 1678 CA LEU A 143 -10.171 -0.403 -6.062 1.00 0.00 C ATOM 1679 C LEU A 143 -11.181 -1.137 -6.989 1.00 0.00 C ATOM 1680 O LEU A 143 -12.307 -0.668 -7.188 1.00 0.00 O ATOM 1681 CB LEU A 143 -10.774 0.117 -4.720 1.00 0.00 C ATOM 1682 CG LEU A 143 -11.171 -0.897 -3.606 1.00 0.00 C ATOM 1683 CD1 LEU A 143 -12.389 -1.777 -3.951 1.00 0.00 C ATOM 1684 CD2 LEU A 143 -10.006 -1.762 -3.089 1.00 0.00 C ATOM 0 H LEU A 143 -9.994 1.650 -6.548 1.00 0.00 H new ATOM 0 HA LEU A 143 -9.423 -1.151 -5.797 1.00 0.00 H new ATOM 0 HB2 LEU A 143 -10.053 0.811 -4.287 1.00 0.00 H new ATOM 0 HB3 LEU A 143 -11.665 0.695 -4.966 1.00 0.00 H new ATOM 0 HG LEU A 143 -11.471 -0.243 -2.787 1.00 0.00 H new ATOM 0 HD11 LEU A 143 -12.596 -2.453 -3.122 1.00 0.00 H new ATOM 0 HD12 LEU A 143 -13.258 -1.143 -4.128 1.00 0.00 H new ATOM 0 HD13 LEU A 143 -12.176 -2.358 -4.848 1.00 0.00 H new ATOM 0 HD21 LEU A 143 -10.370 -2.439 -2.316 1.00 0.00 H new ATOM 0 HD22 LEU A 143 -9.590 -2.342 -3.913 1.00 0.00 H new ATOM 0 HD23 LEU A 143 -9.232 -1.118 -2.671 1.00 0.00 H new ATOM 1696 N LYS A 144 -10.754 -2.291 -7.542 1.00 0.00 N ATOM 1697 CA LYS A 144 -11.626 -3.145 -8.399 1.00 0.00 C ATOM 1698 C LYS A 144 -12.699 -3.919 -7.563 1.00 0.00 C ATOM 1699 O LYS A 144 -13.894 -3.666 -7.744 1.00 0.00 O ATOM 1700 CB LYS A 144 -10.782 -4.098 -9.298 1.00 0.00 C ATOM 1701 CG LYS A 144 -9.875 -3.448 -10.376 1.00 0.00 C ATOM 1702 CD LYS A 144 -9.215 -4.485 -11.320 1.00 0.00 C ATOM 1703 CE LYS A 144 -8.057 -5.280 -10.682 1.00 0.00 C ATOM 1704 NZ LYS A 144 -7.767 -6.524 -11.442 1.00 0.00 N ATOM 0 H LYS A 144 -9.811 -2.660 -7.415 1.00 0.00 H new ATOM 0 HA LYS A 144 -12.176 -2.479 -9.063 1.00 0.00 H new ATOM 0 HB2 LYS A 144 -10.151 -4.703 -8.647 1.00 0.00 H new ATOM 0 HB3 LYS A 144 -11.467 -4.780 -9.801 1.00 0.00 H new ATOM 0 HG2 LYS A 144 -10.467 -2.751 -10.969 1.00 0.00 H new ATOM 0 HG3 LYS A 144 -9.096 -2.866 -9.884 1.00 0.00 H new ATOM 0 HD2 LYS A 144 -9.977 -5.186 -11.660 1.00 0.00 H new ATOM 0 HD3 LYS A 144 -8.841 -3.968 -12.204 1.00 0.00 H new ATOM 0 HE2 LYS A 144 -7.163 -4.657 -10.646 1.00 0.00 H new ATOM 0 HE3 LYS A 144 -8.311 -5.532 -9.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 144 -7.531 -7.289 -10.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 144 -8.603 -6.794 -11.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 144 -6.964 -6.361 -12.082 1.00 0.00 H new ATOM 1718 N THR A 145 -12.270 -4.849 -6.681 1.00 0.00 N ATOM 1719 CA THR A 145 -13.184 -5.643 -5.818 1.00 0.00 C ATOM 1720 C THR A 145 -12.490 -5.878 -4.446 1.00 0.00 C ATOM 1721 O THR A 145 -11.350 -6.353 -4.381 1.00 0.00 O ATOM 1722 CB THR A 145 -13.626 -7.004 -6.439 1.00 0.00 C ATOM 1723 OG1 THR A 145 -12.503 -7.836 -6.725 1.00 0.00 O ATOM 1724 CG2 THR A 145 -14.484 -6.898 -7.711 1.00 0.00 C ATOM 0 H THR A 145 -11.284 -5.073 -6.545 1.00 0.00 H new ATOM 0 HA THR A 145 -14.101 -5.065 -5.704 1.00 0.00 H new ATOM 0 HB THR A 145 -14.256 -7.444 -5.666 1.00 0.00 H new ATOM 0 HG1 THR A 145 -12.812 -8.682 -7.111 1.00 0.00 H new ATOM 0 HG21 THR A 145 -14.738 -7.898 -8.063 1.00 0.00 H new ATOM 0 HG22 THR A 145 -15.399 -6.348 -7.488 1.00 0.00 H new ATOM 0 HG23 THR A 145 -13.924 -6.373 -8.485 1.00 0.00 H new ATOM 1732 N ALA A 146 -13.223 -5.596 -3.355 1.00 0.00 N ATOM 1733 CA ALA A 146 -12.793 -5.947 -1.978 1.00 0.00 C ATOM 1734 C ALA A 146 -13.478 -7.276 -1.565 1.00 0.00 C ATOM 1735 O ALA A 146 -14.677 -7.304 -1.265 1.00 0.00 O ATOM 1736 CB ALA A 146 -13.139 -4.793 -1.020 1.00 0.00 C ATOM 0 H ALA A 146 -14.125 -5.122 -3.395 1.00 0.00 H new ATOM 0 HA ALA A 146 -11.714 -6.093 -1.934 1.00 0.00 H new ATOM 0 HB1 ALA A 146 -12.823 -5.052 -0.009 1.00 0.00 H new ATOM 0 HB2 ALA A 146 -12.624 -3.887 -1.340 1.00 0.00 H new ATOM 0 HB3 ALA A 146 -14.215 -4.622 -1.031 1.00 0.00 H new ATOM 1742 N VAL A 147 -12.701 -8.375 -1.598 1.00 0.00 N ATOM 1743 CA VAL A 147 -13.217 -9.758 -1.368 1.00 0.00 C ATOM 1744 C VAL A 147 -12.594 -10.354 -0.069 1.00 0.00 C ATOM 1745 O VAL A 147 -11.483 -10.000 0.336 1.00 0.00 O ATOM 1746 CB VAL A 147 -13.026 -10.685 -2.622 1.00 0.00 C ATOM 1747 CG1 VAL A 147 -13.891 -10.249 -3.826 1.00 0.00 C ATOM 1748 CG2 VAL A 147 -11.566 -10.902 -3.087 1.00 0.00 C ATOM 0 H VAL A 147 -11.699 -8.341 -1.784 1.00 0.00 H new ATOM 0 HA VAL A 147 -14.295 -9.700 -1.220 1.00 0.00 H new ATOM 0 HB VAL A 147 -13.372 -11.650 -2.251 1.00 0.00 H new ATOM 0 HG11 VAL A 147 -13.718 -10.926 -4.663 1.00 0.00 H new ATOM 0 HG12 VAL A 147 -14.944 -10.279 -3.547 1.00 0.00 H new ATOM 0 HG13 VAL A 147 -13.622 -9.234 -4.119 1.00 0.00 H new ATOM 0 HG21 VAL A 147 -11.555 -11.557 -3.958 1.00 0.00 H new ATOM 0 HG22 VAL A 147 -11.121 -9.942 -3.349 1.00 0.00 H new ATOM 0 HG23 VAL A 147 -10.992 -11.360 -2.282 1.00 0.00 H new ATOM 1758 N ASP A 148 -13.317 -11.292 0.570 1.00 0.00 N ATOM 1759 CA ASP A 148 -12.891 -11.924 1.853 1.00 0.00 C ATOM 1760 C ASP A 148 -11.607 -12.817 1.743 1.00 0.00 C ATOM 1761 O ASP A 148 -11.357 -13.480 0.727 1.00 0.00 O ATOM 1762 CB ASP A 148 -14.083 -12.731 2.433 1.00 0.00 C ATOM 1763 CG ASP A 148 -15.251 -11.880 2.932 1.00 0.00 C ATOM 1764 OD1 ASP A 148 -15.178 -11.372 4.071 1.00 0.00 O ATOM 1765 OD2 ASP A 148 -16.235 -11.714 2.181 1.00 0.00 O ATOM 0 H ASP A 148 -14.211 -11.639 0.221 1.00 0.00 H new ATOM 0 HA ASP A 148 -12.607 -11.116 2.527 1.00 0.00 H new ATOM 0 HB2 ASP A 148 -14.450 -13.412 1.665 1.00 0.00 H new ATOM 0 HB3 ASP A 148 -13.721 -13.345 3.258 1.00 0.00 H new ATOM 1770 N GLY A 149 -10.804 -12.808 2.821 1.00 0.00 N ATOM 1771 CA GLY A 149 -9.493 -13.494 2.862 1.00 0.00 C ATOM 1772 C GLY A 149 -9.413 -14.522 4.016 1.00 0.00 C ATOM 1773 O GLY A 149 -8.982 -14.120 5.100 1.00 0.00 O ATOM 0 H GLY A 149 -11.041 -12.327 3.689 1.00 0.00 H new ATOM 0 HA2 GLY A 149 -9.319 -14.000 1.913 1.00 0.00 H new ATOM 0 HA3 GLY A 149 -8.700 -12.755 2.979 1.00 0.00 H new