USER MOD reduce.3.24.130724 H: found=0, std=0, add=696, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 696 hydrogens (8 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: B 365 SEP H2 : B 365 SEP N : B 364 ILE C :(H bumps) USER MOD NoAdj-H: B 367 SEP H2 : B 367 SEP N : B 366 ASP C :(H bumps) USER MOD Set 1.1: A 47 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 51 GLN : amide:sc= -0.119 X(o=-0.12,f=-0.44) USER MOD Set 2.1: A 44 MET CE :methyl -166:sc= -0.0061 (180deg=-0.244) USER MOD Set 2.2: A 55 MET CE :methyl 160:sc= 0 (180deg=-0.453) USER MOD Single : A 17 HIS : no HD1:sc= -0.0357 X(o=-0.036,f=0) USER MOD Single : A 19 ASN : amide:sc= 0.0933 X(o=0.093,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 1.24 (180deg=1.24) USER MOD Single : A 25 GLN : amide:sc= 0.98 K(o=0.98,f=-0.52) USER MOD Single : A 28 SER OG : rot -89:sc= 0.764 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ -170:sc= 1.27 (180deg=1.18) USER MOD Single : A 37 HIS : no HD1:sc= 1.15 K(o=1.1,f=-4.5!) USER MOD Single : A 38 THR OG1 : rot -47:sc= -1.38! USER MOD Single : A 41 SER OG : rot -141:sc= 1.36 USER MOD Single : A 42 LYS NZ :NH3+ 140:sc= 3.61 (180deg=1.51) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 CYS SG : rot 44:sc= 1.03 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -0.321 K(o=-0.32,f=-3.3!) USER MOD Single : A 65 GLN : amide:sc= -0.0279 X(o=-0.028,f=-0.18) USER MOD Single : A 68 ASN : amide:sc= 1.1 K(o=1.1,f=-0.11) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.718 USER MOD Single : A 75 GLN : amide:sc= -0.288 X(o=-0.29,f=-0.4) USER MOD Single : A 78 MET CE :methyl 135:sc= -0.0603 (180deg=-0.971) USER MOD Single : A 83 THR OG1 : rot 180:sc= -0.0445 USER MOD Single : A 88 GLN : amide:sc= -0.0305 K(o=-0.03,f=-1.1!) USER MOD Single : A 89 GLN : amide:sc= -0.0375 K(o=-0.038,f=-0.71) USER MOD Single : A 90 GLN : amide:sc= -0.252 K(o=-0.25,f=-3.7!) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0.085 USER MOD Single : B 357 ASN : amide:sc= -0.308 K(o=-0.31,f=-1.7) USER MOD Single : B 358 ASN : amide:sc= -1.02 X(o=-1,f=-0.98) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 16 -4.973 23.229 4.893 1.00 10.00 N ATOM 2 CA ASP A 16 -5.248 22.285 5.998 1.00 10.00 C ATOM 3 C ASP A 16 -5.206 20.849 5.491 1.00 10.00 C ATOM 4 O ASP A 16 -4.638 20.574 4.431 1.00 10.00 O ATOM 5 CB ASP A 16 -6.607 22.589 6.636 1.00 10.00 C ATOM 6 CG ASP A 16 -6.509 23.674 7.685 1.00 10.00 C ATOM 7 OD1 ASP A 16 -6.655 23.364 8.885 1.00 10.00 O ATOM 8 OD2 ASP A 16 -6.267 24.841 7.312 1.00 10.00 O ATOM 0 HA ASP A 16 -4.476 22.406 6.758 1.00 10.00 H new ATOM 0 HB2 ASP A 16 -7.311 22.895 5.862 1.00 10.00 H new ATOM 0 HB3 ASP A 16 -7.006 21.682 7.089 1.00 10.00 H new ATOM 13 N HIS A 17 -5.793 19.940 6.256 1.00 10.00 N ATOM 14 CA HIS A 17 -5.823 18.531 5.889 1.00 10.00 C ATOM 15 C HIS A 17 -6.865 18.265 4.811 1.00 10.00 C ATOM 16 O HIS A 17 -7.840 19.006 4.673 1.00 10.00 O ATOM 17 CB HIS A 17 -6.112 17.665 7.117 1.00 10.00 C ATOM 18 CG HIS A 17 -4.936 17.506 8.031 1.00 10.00 C ATOM 19 ND1 HIS A 17 -4.769 18.307 9.135 1.00 10.00 N ATOM 20 CD2 HIS A 17 -3.901 16.635 7.960 1.00 10.00 C ATOM 21 CE1 HIS A 17 -3.646 17.907 9.707 1.00 10.00 C ATOM 22 NE2 HIS A 17 -3.085 16.895 9.030 1.00 10.00 N ATOM 0 H HIS A 17 -6.257 20.154 7.139 1.00 10.00 H new ATOM 0 HA HIS A 17 -4.843 18.270 5.490 1.00 10.00 H new ATOM 0 HB2 HIS A 17 -6.938 18.106 7.675 1.00 10.00 H new ATOM 0 HB3 HIS A 17 -6.440 16.679 6.787 1.00 10.00 H new ATOM 0 HD2 HIS A 17 -3.748 15.879 7.204 1.00 10.00 H new ATOM 0 HE1 HIS A 17 -3.233 18.341 10.606 1.00 10.00 H new ATOM 0 HE2 HIS A 17 -2.218 16.412 9.266 1.00 10.00 H new ATOM 30 N ILE A 18 -6.644 17.204 4.053 1.00 10.00 N ATOM 31 CA ILE A 18 -7.543 16.813 2.983 1.00 10.00 C ATOM 32 C ILE A 18 -8.046 15.390 3.220 1.00 10.00 C ATOM 33 O ILE A 18 -7.311 14.537 3.727 1.00 10.00 O ATOM 34 CB ILE A 18 -6.841 16.917 1.605 1.00 10.00 C ATOM 35 CG1 ILE A 18 -7.796 16.549 0.468 1.00 10.00 C ATOM 36 CG2 ILE A 18 -5.601 16.036 1.560 1.00 10.00 C ATOM 37 CD1 ILE A 18 -7.218 16.790 -0.911 1.00 10.00 C ATOM 0 H ILE A 18 -5.837 16.591 4.163 1.00 10.00 H new ATOM 0 HA ILE A 18 -8.394 17.494 2.979 1.00 10.00 H new ATOM 0 HB ILE A 18 -6.534 17.954 1.469 1.00 10.00 H new ATOM 0 HG12 ILE A 18 -8.069 15.498 0.560 1.00 10.00 H new ATOM 0 HG13 ILE A 18 -8.714 17.127 0.574 1.00 10.00 H new ATOM 0 HG21 ILE A 18 -5.126 16.126 0.583 1.00 10.00 H new ATOM 0 HG22 ILE A 18 -4.902 16.352 2.334 1.00 10.00 H new ATOM 0 HG23 ILE A 18 -5.886 14.998 1.730 1.00 10.00 H new ATOM 0 HD11 ILE A 18 -7.950 16.507 -1.667 1.00 10.00 H new ATOM 0 HD12 ILE A 18 -6.971 17.846 -1.023 1.00 10.00 H new ATOM 0 HD13 ILE A 18 -6.316 16.191 -1.037 1.00 10.00 H new ATOM 49 N ASN A 19 -9.299 15.145 2.878 1.00 10.00 N ATOM 50 CA ASN A 19 -9.901 13.833 3.061 1.00 10.00 C ATOM 51 C ASN A 19 -9.736 12.984 1.811 1.00 10.00 C ATOM 52 O ASN A 19 -10.413 13.201 0.805 1.00 10.00 O ATOM 53 CB ASN A 19 -11.389 13.966 3.400 1.00 10.00 C ATOM 54 CG ASN A 19 -11.632 14.774 4.659 1.00 10.00 C ATOM 55 OD1 ASN A 19 -11.692 14.224 5.759 1.00 10.00 O ATOM 56 ND2 ASN A 19 -11.774 16.079 4.509 1.00 10.00 N ATOM 0 H ASN A 19 -9.923 15.841 2.470 1.00 10.00 H new ATOM 0 HA ASN A 19 -9.389 13.343 3.889 1.00 10.00 H new ATOM 0 HB2 ASN A 19 -11.907 14.438 2.565 1.00 10.00 H new ATOM 0 HB3 ASN A 19 -11.820 12.972 3.522 1.00 10.00 H new ATOM 0 HD21 ASN A 19 -11.940 16.671 5.323 1.00 10.00 H new ATOM 0 HD22 ASN A 19 -11.717 16.495 3.579 1.00 10.00 H new ATOM 63 N LEU A 20 -8.825 12.026 1.869 1.00 10.00 N ATOM 64 CA LEU A 20 -8.584 11.142 0.743 1.00 10.00 C ATOM 65 C LEU A 20 -9.055 9.735 1.084 1.00 10.00 C ATOM 66 O LEU A 20 -8.850 9.256 2.199 1.00 10.00 O ATOM 67 CB LEU A 20 -7.099 11.136 0.367 1.00 10.00 C ATOM 68 CG LEU A 20 -6.559 12.471 -0.155 1.00 10.00 C ATOM 69 CD1 LEU A 20 -5.085 12.353 -0.494 1.00 10.00 C ATOM 70 CD2 LEU A 20 -7.348 12.933 -1.373 1.00 10.00 C ATOM 0 H LEU A 20 -8.241 11.842 2.685 1.00 10.00 H new ATOM 0 HA LEU A 20 -9.147 11.506 -0.117 1.00 10.00 H new ATOM 0 HB2 LEU A 20 -6.519 10.844 1.242 1.00 10.00 H new ATOM 0 HB3 LEU A 20 -6.935 10.372 -0.393 1.00 10.00 H new ATOM 0 HG LEU A 20 -6.675 13.216 0.632 1.00 10.00 H new ATOM 0 HD11 LEU A 20 -4.719 13.311 -0.863 1.00 10.00 H new ATOM 0 HD12 LEU A 20 -4.528 12.071 0.399 1.00 10.00 H new ATOM 0 HD13 LEU A 20 -4.948 11.592 -1.262 1.00 10.00 H new ATOM 0 HD21 LEU A 20 -6.947 13.883 -1.727 1.00 10.00 H new ATOM 0 HD22 LEU A 20 -7.266 12.187 -2.164 1.00 10.00 H new ATOM 0 HD23 LEU A 20 -8.396 13.060 -1.101 1.00 10.00 H new ATOM 82 N LYS A 21 -9.698 9.081 0.131 1.00 10.00 N ATOM 83 CA LYS A 21 -10.209 7.738 0.352 1.00 10.00 C ATOM 84 C LYS A 21 -9.465 6.716 -0.495 1.00 10.00 C ATOM 85 O LYS A 21 -9.321 6.873 -1.706 1.00 10.00 O ATOM 86 CB LYS A 21 -11.705 7.682 0.032 1.00 10.00 C ATOM 87 CG LYS A 21 -12.588 8.284 1.111 1.00 10.00 C ATOM 88 CD LYS A 21 -13.963 8.621 0.568 1.00 10.00 C ATOM 89 CE LYS A 21 -15.012 8.629 1.664 1.00 10.00 C ATOM 90 NZ LYS A 21 -16.341 9.044 1.149 1.00 10.00 N ATOM 0 H LYS A 21 -9.878 9.456 -0.800 1.00 10.00 H new ATOM 0 HA LYS A 21 -10.052 7.491 1.402 1.00 10.00 H new ATOM 0 HB2 LYS A 21 -11.886 8.207 -0.906 1.00 10.00 H new ATOM 0 HB3 LYS A 21 -11.995 6.643 -0.123 1.00 10.00 H new ATOM 0 HG2 LYS A 21 -12.683 7.583 1.940 1.00 10.00 H new ATOM 0 HG3 LYS A 21 -12.120 9.185 1.508 1.00 10.00 H new ATOM 0 HD2 LYS A 21 -13.934 9.598 0.085 1.00 10.00 H new ATOM 0 HD3 LYS A 21 -14.241 7.895 -0.196 1.00 10.00 H new ATOM 0 HE2 LYS A 21 -15.086 7.634 2.104 1.00 10.00 H new ATOM 0 HE3 LYS A 21 -14.702 9.307 2.459 1.00 10.00 H new ATOM 0 HZ1 LYS A 21 -17.032 9.038 1.926 1.00 10.00 H new ATOM 0 HZ2 LYS A 21 -16.275 10.003 0.752 1.00 10.00 H new ATOM 0 HZ3 LYS A 21 -16.648 8.383 0.407 1.00 10.00 H new ATOM 104 N VAL A 22 -8.974 5.683 0.158 1.00 10.00 N ATOM 105 CA VAL A 22 -8.272 4.607 -0.517 1.00 10.00 C ATOM 106 C VAL A 22 -9.013 3.303 -0.242 1.00 10.00 C ATOM 107 O VAL A 22 -9.383 3.026 0.902 1.00 10.00 O ATOM 108 CB VAL A 22 -6.803 4.504 -0.047 1.00 10.00 C ATOM 109 CG1 VAL A 22 -6.076 3.380 -0.766 1.00 10.00 C ATOM 110 CG2 VAL A 22 -6.074 5.825 -0.247 1.00 10.00 C ATOM 0 H VAL A 22 -9.049 5.564 1.168 1.00 10.00 H new ATOM 0 HA VAL A 22 -8.250 4.810 -1.588 1.00 10.00 H new ATOM 0 HB VAL A 22 -6.811 4.275 1.019 1.00 10.00 H new ATOM 0 HG11 VAL A 22 -5.045 3.331 -0.416 1.00 10.00 H new ATOM 0 HG12 VAL A 22 -6.575 2.433 -0.559 1.00 10.00 H new ATOM 0 HG13 VAL A 22 -6.086 3.569 -1.840 1.00 10.00 H new ATOM 0 HG21 VAL A 22 -5.043 5.726 0.091 1.00 10.00 H new ATOM 0 HG22 VAL A 22 -6.085 6.090 -1.304 1.00 10.00 H new ATOM 0 HG23 VAL A 22 -6.571 6.606 0.328 1.00 10.00 H new ATOM 120 N ALA A 23 -9.256 2.523 -1.283 1.00 10.00 N ATOM 121 CA ALA A 23 -9.980 1.273 -1.129 1.00 10.00 C ATOM 122 C ALA A 23 -9.194 0.099 -1.683 1.00 10.00 C ATOM 123 O ALA A 23 -8.590 0.192 -2.755 1.00 10.00 O ATOM 124 CB ALA A 23 -11.341 1.371 -1.802 1.00 10.00 C ATOM 0 H ALA A 23 -8.964 2.732 -2.238 1.00 10.00 H new ATOM 0 HA ALA A 23 -10.122 1.096 -0.063 1.00 10.00 H new ATOM 0 HB1 ALA A 23 -11.876 0.429 -1.681 1.00 10.00 H new ATOM 0 HB2 ALA A 23 -11.916 2.176 -1.344 1.00 10.00 H new ATOM 0 HB3 ALA A 23 -11.208 1.579 -2.864 1.00 10.00 H new ATOM 130 N GLY A 24 -9.204 -0.999 -0.943 1.00 10.00 N ATOM 131 CA GLY A 24 -8.504 -2.192 -1.371 1.00 10.00 C ATOM 132 C GLY A 24 -9.384 -3.079 -2.230 1.00 10.00 C ATOM 133 O GLY A 24 -10.558 -2.770 -2.446 1.00 10.00 O ATOM 0 H GLY A 24 -9.687 -1.085 -0.049 1.00 10.00 H new ATOM 0 HA2 GLY A 24 -7.613 -1.910 -1.932 1.00 10.00 H new ATOM 0 HA3 GLY A 24 -8.167 -2.750 -0.497 1.00 10.00 H new ATOM 137 N GLN A 25 -8.831 -4.189 -2.702 1.00 10.00 N ATOM 138 CA GLN A 25 -9.577 -5.117 -3.550 1.00 10.00 C ATOM 139 C GLN A 25 -10.584 -5.917 -2.733 1.00 10.00 C ATOM 140 O GLN A 25 -11.468 -6.573 -3.285 1.00 10.00 O ATOM 141 CB GLN A 25 -8.625 -6.065 -4.283 1.00 10.00 C ATOM 142 CG GLN A 25 -7.730 -5.360 -5.290 1.00 10.00 C ATOM 143 CD GLN A 25 -8.522 -4.605 -6.343 1.00 10.00 C ATOM 144 OE1 GLN A 25 -9.594 -5.042 -6.769 1.00 10.00 O ATOM 145 NE2 GLN A 25 -8.015 -3.455 -6.757 1.00 10.00 N ATOM 0 H GLN A 25 -7.869 -4.471 -2.513 1.00 10.00 H new ATOM 0 HA GLN A 25 -10.122 -4.528 -4.287 1.00 10.00 H new ATOM 0 HB2 GLN A 25 -8.002 -6.580 -3.552 1.00 10.00 H new ATOM 0 HB3 GLN A 25 -9.209 -6.828 -4.798 1.00 10.00 H new ATOM 0 HG2 GLN A 25 -7.075 -4.665 -4.765 1.00 10.00 H new ATOM 0 HG3 GLN A 25 -7.090 -6.094 -5.779 1.00 10.00 H new ATOM 0 HE21 GLN A 25 -7.126 -3.125 -6.382 1.00 10.00 H new ATOM 0 HE22 GLN A 25 -8.514 -2.898 -7.451 1.00 10.00 H new ATOM 154 N ASP A 26 -10.457 -5.842 -1.419 1.00 10.00 N ATOM 155 CA ASP A 26 -11.356 -6.547 -0.516 1.00 10.00 C ATOM 156 C ASP A 26 -12.618 -5.726 -0.284 1.00 10.00 C ATOM 157 O ASP A 26 -13.718 -6.272 -0.188 1.00 10.00 O ATOM 158 CB ASP A 26 -10.666 -6.833 0.822 1.00 10.00 C ATOM 159 CG ASP A 26 -10.349 -5.569 1.603 1.00 10.00 C ATOM 160 OD1 ASP A 26 -9.877 -4.589 0.987 1.00 10.00 O ATOM 161 OD2 ASP A 26 -10.577 -5.549 2.827 1.00 10.00 O ATOM 0 H ASP A 26 -9.735 -5.296 -0.949 1.00 10.00 H new ATOM 0 HA ASP A 26 -11.628 -7.497 -0.976 1.00 10.00 H new ATOM 0 HB2 ASP A 26 -11.306 -7.477 1.425 1.00 10.00 H new ATOM 0 HB3 ASP A 26 -9.743 -7.383 0.639 1.00 10.00 H new ATOM 166 N GLY A 27 -12.451 -4.412 -0.223 1.00 10.00 N ATOM 167 CA GLY A 27 -13.572 -3.520 -0.004 1.00 10.00 C ATOM 168 C GLY A 27 -13.363 -2.620 1.195 1.00 10.00 C ATOM 169 O GLY A 27 -14.290 -1.937 1.639 1.00 10.00 O ATOM 0 H GLY A 27 -11.550 -3.944 -0.322 1.00 10.00 H new ATOM 0 HA2 GLY A 27 -13.726 -2.908 -0.893 1.00 10.00 H new ATOM 0 HA3 GLY A 27 -14.479 -4.108 0.139 1.00 10.00 H new ATOM 173 N SER A 28 -12.147 -2.624 1.730 1.00 10.00 N ATOM 174 CA SER A 28 -11.820 -1.803 2.885 1.00 10.00 C ATOM 175 C SER A 28 -11.647 -0.344 2.485 1.00 10.00 C ATOM 176 O SER A 28 -11.052 -0.040 1.450 1.00 10.00 O ATOM 177 CB SER A 28 -10.534 -2.304 3.552 1.00 10.00 C ATOM 178 OG SER A 28 -9.518 -2.549 2.592 1.00 10.00 O ATOM 0 H SER A 28 -11.372 -3.188 1.380 1.00 10.00 H new ATOM 0 HA SER A 28 -12.647 -1.879 3.591 1.00 10.00 H new ATOM 0 HB2 SER A 28 -10.185 -1.566 4.274 1.00 10.00 H new ATOM 0 HB3 SER A 28 -10.742 -3.219 4.107 1.00 10.00 H new ATOM 0 HG SER A 28 -9.591 -3.470 2.266 1.00 10.00 H new ATOM 184 N VAL A 29 -12.185 0.549 3.297 1.00 10.00 N ATOM 185 CA VAL A 29 -12.057 1.972 3.052 1.00 10.00 C ATOM 186 C VAL A 29 -11.227 2.602 4.165 1.00 10.00 C ATOM 187 O VAL A 29 -11.579 2.516 5.346 1.00 10.00 O ATOM 188 CB VAL A 29 -13.435 2.673 2.929 1.00 10.00 C ATOM 189 CG1 VAL A 29 -14.334 2.361 4.119 1.00 10.00 C ATOM 190 CG2 VAL A 29 -13.261 4.178 2.770 1.00 10.00 C ATOM 0 H VAL A 29 -12.716 0.311 4.134 1.00 10.00 H new ATOM 0 HA VAL A 29 -11.552 2.108 2.095 1.00 10.00 H new ATOM 0 HB VAL A 29 -13.923 2.282 2.036 1.00 10.00 H new ATOM 0 HG11 VAL A 29 -15.290 2.870 3.996 1.00 10.00 H new ATOM 0 HG12 VAL A 29 -14.500 1.285 4.177 1.00 10.00 H new ATOM 0 HG13 VAL A 29 -13.856 2.704 5.036 1.00 10.00 H new ATOM 0 HG21 VAL A 29 -14.240 4.650 2.685 1.00 10.00 H new ATOM 0 HG22 VAL A 29 -12.739 4.578 3.639 1.00 10.00 H new ATOM 0 HG23 VAL A 29 -12.680 4.384 1.871 1.00 10.00 H new ATOM 200 N VAL A 30 -10.099 3.188 3.799 1.00 10.00 N ATOM 201 CA VAL A 30 -9.236 3.815 4.786 1.00 10.00 C ATOM 202 C VAL A 30 -9.464 5.319 4.860 1.00 10.00 C ATOM 203 O VAL A 30 -9.507 6.011 3.839 1.00 10.00 O ATOM 204 CB VAL A 30 -7.732 3.543 4.535 1.00 10.00 C ATOM 205 CG1 VAL A 30 -7.386 2.093 4.815 1.00 10.00 C ATOM 206 CG2 VAL A 30 -7.332 3.914 3.124 1.00 10.00 C ATOM 0 H VAL A 30 -9.762 3.243 2.838 1.00 10.00 H new ATOM 0 HA VAL A 30 -9.509 3.358 5.737 1.00 10.00 H new ATOM 0 HB VAL A 30 -7.169 4.172 5.224 1.00 10.00 H new ATOM 0 HG11 VAL A 30 -6.324 1.930 4.631 1.00 10.00 H new ATOM 0 HG12 VAL A 30 -7.614 1.859 5.855 1.00 10.00 H new ATOM 0 HG13 VAL A 30 -7.971 1.446 4.161 1.00 10.00 H new ATOM 0 HG21 VAL A 30 -6.271 3.711 2.981 1.00 10.00 H new ATOM 0 HG22 VAL A 30 -7.913 3.325 2.414 1.00 10.00 H new ATOM 0 HG23 VAL A 30 -7.524 4.974 2.958 1.00 10.00 H new ATOM 216 N GLN A 31 -9.632 5.807 6.080 1.00 10.00 N ATOM 217 CA GLN A 31 -9.826 7.227 6.325 1.00 10.00 C ATOM 218 C GLN A 31 -8.460 7.907 6.361 1.00 10.00 C ATOM 219 O GLN A 31 -7.872 8.081 7.429 1.00 10.00 O ATOM 220 CB GLN A 31 -10.572 7.444 7.649 1.00 10.00 C ATOM 221 CG GLN A 31 -10.979 8.888 7.910 1.00 10.00 C ATOM 222 CD GLN A 31 -11.479 9.104 9.326 1.00 10.00 C ATOM 223 OE1 GLN A 31 -12.050 8.205 9.945 1.00 10.00 O ATOM 224 NE2 GLN A 31 -11.271 10.304 9.849 1.00 10.00 N ATOM 0 H GLN A 31 -9.638 5.233 6.923 1.00 10.00 H new ATOM 0 HA GLN A 31 -10.429 7.660 5.527 1.00 10.00 H new ATOM 0 HB2 GLN A 31 -11.466 6.820 7.655 1.00 10.00 H new ATOM 0 HB3 GLN A 31 -9.940 7.103 8.469 1.00 10.00 H new ATOM 0 HG2 GLN A 31 -10.126 9.541 7.726 1.00 10.00 H new ATOM 0 HG3 GLN A 31 -11.759 9.175 7.205 1.00 10.00 H new ATOM 0 HE21 GLN A 31 -10.794 11.022 9.304 1.00 10.00 H new ATOM 0 HE22 GLN A 31 -11.588 10.509 10.797 1.00 10.00 H new ATOM 233 N PHE A 32 -7.947 8.248 5.188 1.00 10.00 N ATOM 234 CA PHE A 32 -6.638 8.879 5.075 1.00 10.00 C ATOM 235 C PHE A 32 -6.717 10.382 5.297 1.00 10.00 C ATOM 236 O PHE A 32 -7.260 11.120 4.472 1.00 10.00 O ATOM 237 CB PHE A 32 -6.027 8.596 3.700 1.00 10.00 C ATOM 238 CG PHE A 32 -4.824 7.698 3.746 1.00 10.00 C ATOM 239 CD1 PHE A 32 -4.859 6.446 3.157 1.00 10.00 C ATOM 240 CD2 PHE A 32 -3.663 8.105 4.380 1.00 10.00 C ATOM 241 CE1 PHE A 32 -3.754 5.617 3.193 1.00 10.00 C ATOM 242 CE2 PHE A 32 -2.554 7.282 4.420 1.00 10.00 C ATOM 243 CZ PHE A 32 -2.601 6.034 3.830 1.00 10.00 C ATOM 0 H PHE A 32 -8.419 8.098 4.296 1.00 10.00 H new ATOM 0 HA PHE A 32 -6.003 8.453 5.852 1.00 10.00 H new ATOM 0 HB2 PHE A 32 -6.785 8.141 3.062 1.00 10.00 H new ATOM 0 HB3 PHE A 32 -5.746 9.541 3.236 1.00 10.00 H new ATOM 0 HD1 PHE A 32 -5.760 6.113 2.664 1.00 10.00 H new ATOM 0 HD2 PHE A 32 -3.623 9.077 4.849 1.00 10.00 H new ATOM 0 HE1 PHE A 32 -3.792 4.645 2.724 1.00 10.00 H new ATOM 0 HE2 PHE A 32 -1.652 7.614 4.912 1.00 10.00 H new ATOM 0 HZ PHE A 32 -1.738 5.385 3.867 1.00 10.00 H new ATOM 253 N LYS A 33 -6.171 10.829 6.416 1.00 10.00 N ATOM 254 CA LYS A 33 -6.150 12.245 6.733 1.00 10.00 C ATOM 255 C LYS A 33 -4.735 12.785 6.564 1.00 10.00 C ATOM 256 O LYS A 33 -3.903 12.682 7.468 1.00 10.00 O ATOM 257 CB LYS A 33 -6.662 12.501 8.153 1.00 10.00 C ATOM 258 CG LYS A 33 -6.922 13.973 8.443 1.00 10.00 C ATOM 259 CD LYS A 33 -7.901 14.158 9.591 1.00 10.00 C ATOM 260 CE LYS A 33 -8.555 15.532 9.550 1.00 10.00 C ATOM 261 NZ LYS A 33 -9.477 15.746 10.695 1.00 10.00 N ATOM 0 H LYS A 33 -5.737 10.231 7.119 1.00 10.00 H new ATOM 0 HA LYS A 33 -6.816 12.767 6.046 1.00 10.00 H new ATOM 0 HB2 LYS A 33 -7.583 11.939 8.306 1.00 10.00 H new ATOM 0 HB3 LYS A 33 -5.934 12.120 8.869 1.00 10.00 H new ATOM 0 HG2 LYS A 33 -5.981 14.468 8.684 1.00 10.00 H new ATOM 0 HG3 LYS A 33 -7.315 14.456 7.548 1.00 10.00 H new ATOM 0 HD2 LYS A 33 -8.669 13.386 9.543 1.00 10.00 H new ATOM 0 HD3 LYS A 33 -7.380 14.030 10.540 1.00 10.00 H new ATOM 0 HE2 LYS A 33 -7.783 16.301 9.558 1.00 10.00 H new ATOM 0 HE3 LYS A 33 -9.106 15.643 8.616 1.00 10.00 H new ATOM 0 HZ1 LYS A 33 -9.900 16.694 10.628 1.00 10.00 H new ATOM 0 HZ2 LYS A 33 -10.230 15.028 10.674 1.00 10.00 H new ATOM 0 HZ3 LYS A 33 -8.948 15.666 11.587 1.00 10.00 H new ATOM 275 N ILE A 34 -4.467 13.332 5.386 1.00 10.00 N ATOM 276 CA ILE A 34 -3.153 13.879 5.077 1.00 10.00 C ATOM 277 C ILE A 34 -3.282 15.340 4.669 1.00 10.00 C ATOM 278 O ILE A 34 -4.391 15.847 4.540 1.00 10.00 O ATOM 279 CB ILE A 34 -2.451 13.080 3.944 1.00 10.00 C ATOM 280 CG1 ILE A 34 -2.910 13.557 2.565 1.00 10.00 C ATOM 281 CG2 ILE A 34 -2.713 11.587 4.092 1.00 10.00 C ATOM 282 CD1 ILE A 34 -2.061 13.026 1.430 1.00 10.00 C ATOM 0 H ILE A 34 -5.144 13.409 4.627 1.00 10.00 H new ATOM 0 HA ILE A 34 -2.541 13.799 5.975 1.00 10.00 H new ATOM 0 HB ILE A 34 -1.379 13.259 4.031 1.00 10.00 H new ATOM 0 HG12 ILE A 34 -3.944 13.251 2.409 1.00 10.00 H new ATOM 0 HG13 ILE A 34 -2.893 14.647 2.542 1.00 10.00 H new ATOM 0 HG21 ILE A 34 -2.212 11.048 3.288 1.00 10.00 H new ATOM 0 HG22 ILE A 34 -2.330 11.244 5.053 1.00 10.00 H new ATOM 0 HG23 ILE A 34 -3.785 11.399 4.041 1.00 10.00 H new ATOM 0 HD11 ILE A 34 -2.443 13.404 0.482 1.00 10.00 H new ATOM 0 HD12 ILE A 34 -1.030 13.354 1.562 1.00 10.00 H new ATOM 0 HD13 ILE A 34 -2.097 11.937 1.427 1.00 10.00 H new ATOM 294 N LYS A 35 -2.160 16.025 4.485 1.00 10.00 N ATOM 295 CA LYS A 35 -2.203 17.418 4.063 1.00 10.00 C ATOM 296 C LYS A 35 -2.176 17.488 2.545 1.00 10.00 C ATOM 297 O LYS A 35 -1.782 16.531 1.878 1.00 10.00 O ATOM 298 CB LYS A 35 -1.042 18.220 4.649 1.00 10.00 C ATOM 299 CG LYS A 35 -1.145 18.448 6.149 1.00 10.00 C ATOM 300 CD LYS A 35 -0.084 19.423 6.629 1.00 10.00 C ATOM 301 CE LYS A 35 0.120 19.336 8.133 1.00 10.00 C ATOM 302 NZ LYS A 35 1.451 19.864 8.536 1.00 10.00 N ATOM 0 H LYS A 35 -1.223 15.645 4.619 1.00 10.00 H new ATOM 0 HA LYS A 35 -3.127 17.860 4.436 1.00 10.00 H new ATOM 0 HB2 LYS A 35 -0.109 17.700 4.434 1.00 10.00 H new ATOM 0 HB3 LYS A 35 -0.991 19.186 4.147 1.00 10.00 H new ATOM 0 HG2 LYS A 35 -2.135 18.833 6.394 1.00 10.00 H new ATOM 0 HG3 LYS A 35 -1.034 17.498 6.673 1.00 10.00 H new ATOM 0 HD2 LYS A 35 0.858 19.215 6.121 1.00 10.00 H new ATOM 0 HD3 LYS A 35 -0.374 20.438 6.359 1.00 10.00 H new ATOM 0 HE2 LYS A 35 -0.664 19.898 8.640 1.00 10.00 H new ATOM 0 HE3 LYS A 35 0.027 18.299 8.454 1.00 10.00 H new ATOM 0 HZ1 LYS A 35 1.626 19.637 9.536 1.00 10.00 H new ATOM 0 HZ2 LYS A 35 2.190 19.429 7.947 1.00 10.00 H new ATOM 0 HZ3 LYS A 35 1.469 20.896 8.407 1.00 10.00 H new ATOM 316 N ARG A 36 -2.566 18.627 2.000 1.00 10.00 N ATOM 317 CA ARG A 36 -2.617 18.802 0.555 1.00 10.00 C ATOM 318 C ARG A 36 -1.227 19.003 -0.051 1.00 10.00 C ATOM 319 O ARG A 36 -1.086 19.073 -1.271 1.00 10.00 O ATOM 320 CB ARG A 36 -3.530 19.976 0.205 1.00 10.00 C ATOM 321 CG ARG A 36 -4.982 19.731 0.584 1.00 10.00 C ATOM 322 CD ARG A 36 -5.851 20.957 0.351 1.00 10.00 C ATOM 323 NE ARG A 36 -5.821 21.401 -1.041 1.00 10.00 N ATOM 324 CZ ARG A 36 -6.810 21.200 -1.915 1.00 10.00 C ATOM 325 NH1 ARG A 36 -7.914 20.552 -1.550 1.00 10.00 N ATOM 326 NH2 ARG A 36 -6.694 21.651 -3.157 1.00 10.00 N ATOM 0 H ARG A 36 -2.853 19.447 2.535 1.00 10.00 H new ATOM 0 HA ARG A 36 -3.023 17.887 0.124 1.00 10.00 H new ATOM 0 HB2 ARG A 36 -3.173 20.871 0.714 1.00 10.00 H new ATOM 0 HB3 ARG A 36 -3.467 20.172 -0.865 1.00 10.00 H new ATOM 0 HG2 ARG A 36 -5.372 18.896 0.002 1.00 10.00 H new ATOM 0 HG3 ARG A 36 -5.038 19.442 1.634 1.00 10.00 H new ATOM 0 HD2 ARG A 36 -6.879 20.731 0.636 1.00 10.00 H new ATOM 0 HD3 ARG A 36 -5.512 21.768 0.996 1.00 10.00 H new ATOM 0 HE ARG A 36 -4.991 21.897 -1.366 1.00 10.00 H new ATOM 0 HH11 ARG A 36 -8.009 20.204 -0.596 1.00 10.00 H new ATOM 0 HH12 ARG A 36 -8.665 20.403 -2.225 1.00 10.00 H new ATOM 0 HH21 ARG A 36 -5.851 22.150 -3.442 1.00 10.00 H new ATOM 0 HH22 ARG A 36 -7.448 21.499 -3.827 1.00 10.00 H new ATOM 340 N HIS A 37 -0.203 19.077 0.792 1.00 10.00 N ATOM 341 CA HIS A 37 1.160 19.271 0.301 1.00 10.00 C ATOM 342 C HIS A 37 2.058 18.083 0.660 1.00 10.00 C ATOM 343 O HIS A 37 3.206 18.006 0.214 1.00 10.00 O ATOM 344 CB HIS A 37 1.746 20.590 0.840 1.00 10.00 C ATOM 345 CG HIS A 37 2.444 20.483 2.168 1.00 10.00 C ATOM 346 ND1 HIS A 37 3.777 20.781 2.301 1.00 10.00 N ATOM 347 CD2 HIS A 37 1.957 20.101 3.369 1.00 10.00 C ATOM 348 CE1 HIS A 37 4.068 20.577 3.573 1.00 10.00 C ATOM 349 NE2 HIS A 37 2.998 20.161 4.261 1.00 10.00 N ATOM 0 H HIS A 37 -0.286 19.007 1.806 1.00 10.00 H new ATOM 0 HA HIS A 37 1.120 19.333 -0.787 1.00 10.00 H new ATOM 0 HB2 HIS A 37 2.451 20.982 0.107 1.00 10.00 H new ATOM 0 HB3 HIS A 37 0.940 21.318 0.929 1.00 10.00 H new ATOM 0 HD2 HIS A 37 0.941 19.805 3.586 1.00 10.00 H new ATOM 0 HE1 HIS A 37 5.047 20.727 4.004 1.00 10.00 H new ATOM 0 HE2 HIS A 37 2.963 19.933 5.255 1.00 10.00 H new ATOM 357 N THR A 38 1.529 17.156 1.449 1.00 10.00 N ATOM 358 CA THR A 38 2.285 15.983 1.870 1.00 10.00 C ATOM 359 C THR A 38 2.415 14.980 0.722 1.00 10.00 C ATOM 360 O THR A 38 1.417 14.585 0.125 1.00 10.00 O ATOM 361 CB THR A 38 1.609 15.302 3.075 1.00 10.00 C ATOM 362 OG1 THR A 38 1.314 16.289 4.071 1.00 10.00 O ATOM 363 CG2 THR A 38 2.501 14.220 3.678 1.00 10.00 C ATOM 0 H THR A 38 0.576 17.194 1.811 1.00 10.00 H new ATOM 0 HA THR A 38 3.280 16.317 2.163 1.00 10.00 H new ATOM 0 HB THR A 38 0.691 14.828 2.729 1.00 10.00 H new ATOM 0 HG1 THR A 38 2.099 16.859 4.209 1.00 10.00 H new ATOM 0 HG21 THR A 38 1.993 13.760 4.526 1.00 10.00 H new ATOM 0 HG22 THR A 38 2.711 13.460 2.925 1.00 10.00 H new ATOM 0 HG23 THR A 38 3.437 14.666 4.014 1.00 10.00 H new ATOM 371 N PRO A 39 3.652 14.571 0.392 1.00 10.00 N ATOM 372 CA PRO A 39 3.913 13.617 -0.694 1.00 10.00 C ATOM 373 C PRO A 39 3.097 12.333 -0.565 1.00 10.00 C ATOM 374 O PRO A 39 2.956 11.773 0.527 1.00 10.00 O ATOM 375 CB PRO A 39 5.406 13.314 -0.551 1.00 10.00 C ATOM 376 CG PRO A 39 5.973 14.501 0.137 1.00 10.00 C ATOM 377 CD PRO A 39 4.894 15.013 1.048 1.00 10.00 C ATOM 0 HA PRO A 39 3.634 14.029 -1.664 1.00 10.00 H new ATOM 0 HB2 PRO A 39 5.571 12.406 0.028 1.00 10.00 H new ATOM 0 HB3 PRO A 39 5.873 13.161 -1.524 1.00 10.00 H new ATOM 0 HG2 PRO A 39 6.865 14.234 0.703 1.00 10.00 H new ATOM 0 HG3 PRO A 39 6.269 15.264 -0.583 1.00 10.00 H new ATOM 0 HD2 PRO A 39 4.987 14.599 2.052 1.00 10.00 H new ATOM 0 HD3 PRO A 39 4.932 16.098 1.145 1.00 10.00 H new ATOM 385 N LEU A 40 2.585 11.859 -1.697 1.00 10.00 N ATOM 386 CA LEU A 40 1.779 10.643 -1.732 1.00 10.00 C ATOM 387 C LEU A 40 2.633 9.422 -1.414 1.00 10.00 C ATOM 388 O LEU A 40 2.117 8.326 -1.194 1.00 10.00 O ATOM 389 CB LEU A 40 1.112 10.486 -3.099 1.00 10.00 C ATOM 390 CG LEU A 40 0.075 11.560 -3.437 1.00 10.00 C ATOM 391 CD1 LEU A 40 -0.460 11.355 -4.842 1.00 10.00 C ATOM 392 CD2 LEU A 40 -1.066 11.539 -2.431 1.00 10.00 C ATOM 0 H LEU A 40 2.715 12.301 -2.607 1.00 10.00 H new ATOM 0 HA LEU A 40 1.002 10.724 -0.972 1.00 10.00 H new ATOM 0 HB2 LEU A 40 1.885 10.493 -3.867 1.00 10.00 H new ATOM 0 HB3 LEU A 40 0.630 9.510 -3.142 1.00 10.00 H new ATOM 0 HG LEU A 40 0.562 12.534 -3.387 1.00 10.00 H new ATOM 0 HD11 LEU A 40 -1.196 12.127 -5.067 1.00 10.00 H new ATOM 0 HD12 LEU A 40 0.361 11.417 -5.557 1.00 10.00 H new ATOM 0 HD13 LEU A 40 -0.929 10.374 -4.913 1.00 10.00 H new ATOM 0 HD21 LEU A 40 -1.792 12.310 -2.689 1.00 10.00 H new ATOM 0 HD22 LEU A 40 -1.550 10.563 -2.450 1.00 10.00 H new ATOM 0 HD23 LEU A 40 -0.674 11.730 -1.432 1.00 10.00 H new ATOM 404 N SER A 41 3.944 9.621 -1.396 1.00 10.00 N ATOM 405 CA SER A 41 4.885 8.563 -1.081 1.00 10.00 C ATOM 406 C SER A 41 4.634 8.052 0.335 1.00 10.00 C ATOM 407 O SER A 41 4.636 6.844 0.585 1.00 10.00 O ATOM 408 CB SER A 41 6.307 9.098 -1.213 1.00 10.00 C ATOM 409 OG SER A 41 6.312 10.317 -1.942 1.00 10.00 O ATOM 0 H SER A 41 4.381 10.520 -1.599 1.00 10.00 H new ATOM 0 HA SER A 41 4.752 7.733 -1.776 1.00 10.00 H new ATOM 0 HB2 SER A 41 6.736 9.257 -0.224 1.00 10.00 H new ATOM 0 HB3 SER A 41 6.934 8.363 -1.718 1.00 10.00 H new ATOM 0 HG SER A 41 7.090 10.339 -2.537 1.00 10.00 H new ATOM 415 N LYS A 42 4.388 8.985 1.253 1.00 10.00 N ATOM 416 CA LYS A 42 4.117 8.642 2.641 1.00 10.00 C ATOM 417 C LYS A 42 2.781 7.914 2.743 1.00 10.00 C ATOM 418 O LYS A 42 2.614 7.022 3.568 1.00 10.00 O ATOM 419 CB LYS A 42 4.100 9.901 3.518 1.00 10.00 C ATOM 420 CG LYS A 42 5.337 10.051 4.393 1.00 10.00 C ATOM 421 CD LYS A 42 5.233 11.262 5.315 1.00 10.00 C ATOM 422 CE LYS A 42 6.423 11.339 6.264 1.00 10.00 C ATOM 423 NZ LYS A 42 6.307 12.468 7.225 1.00 10.00 N ATOM 0 H LYS A 42 4.372 9.986 1.056 1.00 10.00 H new ATOM 0 HA LYS A 42 4.911 7.986 2.998 1.00 10.00 H new ATOM 0 HB2 LYS A 42 4.010 10.778 2.878 1.00 10.00 H new ATOM 0 HB3 LYS A 42 3.215 9.878 4.155 1.00 10.00 H new ATOM 0 HG2 LYS A 42 5.472 9.149 4.990 1.00 10.00 H new ATOM 0 HG3 LYS A 42 6.220 10.149 3.761 1.00 10.00 H new ATOM 0 HD2 LYS A 42 5.181 12.173 4.718 1.00 10.00 H new ATOM 0 HD3 LYS A 42 4.309 11.205 5.891 1.00 10.00 H new ATOM 0 HE2 LYS A 42 6.506 10.403 6.816 1.00 10.00 H new ATOM 0 HE3 LYS A 42 7.340 11.450 5.685 1.00 10.00 H new ATOM 0 HZ1 LYS A 42 6.638 12.162 8.162 1.00 10.00 H new ATOM 0 HZ2 LYS A 42 6.888 13.265 6.896 1.00 10.00 H new ATOM 0 HZ3 LYS A 42 5.313 12.768 7.290 1.00 10.00 H new ATOM 437 N LEU A 43 1.846 8.290 1.872 1.00 10.00 N ATOM 438 CA LEU A 43 0.518 7.681 1.849 1.00 10.00 C ATOM 439 C LEU A 43 0.611 6.217 1.432 1.00 10.00 C ATOM 440 O LEU A 43 0.023 5.339 2.067 1.00 10.00 O ATOM 441 CB LEU A 43 -0.407 8.451 0.895 1.00 10.00 C ATOM 442 CG LEU A 43 -1.891 8.082 0.984 1.00 10.00 C ATOM 443 CD1 LEU A 43 -2.758 9.314 0.792 1.00 10.00 C ATOM 444 CD2 LEU A 43 -2.246 7.021 -0.048 1.00 10.00 C ATOM 0 H LEU A 43 1.985 9.017 1.170 1.00 10.00 H new ATOM 0 HA LEU A 43 0.098 7.729 2.854 1.00 10.00 H new ATOM 0 HB2 LEU A 43 -0.302 9.517 1.095 1.00 10.00 H new ATOM 0 HB3 LEU A 43 -0.068 8.283 -0.127 1.00 10.00 H new ATOM 0 HG LEU A 43 -2.081 7.673 1.977 1.00 10.00 H new ATOM 0 HD11 LEU A 43 -3.809 9.033 0.858 1.00 10.00 H new ATOM 0 HD12 LEU A 43 -2.528 10.045 1.567 1.00 10.00 H new ATOM 0 HD13 LEU A 43 -2.560 9.749 -0.187 1.00 10.00 H new ATOM 0 HD21 LEU A 43 -3.305 6.774 0.033 1.00 10.00 H new ATOM 0 HD22 LEU A 43 -2.038 7.402 -1.048 1.00 10.00 H new ATOM 0 HD23 LEU A 43 -1.650 6.126 0.131 1.00 10.00 H new ATOM 456 N MET A 44 1.360 5.966 0.366 1.00 10.00 N ATOM 457 CA MET A 44 1.536 4.613 -0.144 1.00 10.00 C ATOM 458 C MET A 44 2.211 3.727 0.893 1.00 10.00 C ATOM 459 O MET A 44 1.829 2.570 1.088 1.00 10.00 O ATOM 460 CB MET A 44 2.361 4.630 -1.433 1.00 10.00 C ATOM 461 CG MET A 44 1.637 5.264 -2.609 1.00 10.00 C ATOM 462 SD MET A 44 2.513 5.047 -4.170 1.00 10.00 S ATOM 463 CE MET A 44 3.780 6.300 -4.030 1.00 10.00 C ATOM 0 H MET A 44 1.856 6.683 -0.163 1.00 10.00 H new ATOM 0 HA MET A 44 0.549 4.203 -0.361 1.00 10.00 H new ATOM 0 HB2 MET A 44 3.289 5.172 -1.253 1.00 10.00 H new ATOM 0 HB3 MET A 44 2.634 3.607 -1.693 1.00 10.00 H new ATOM 0 HG2 MET A 44 0.641 4.829 -2.693 1.00 10.00 H new ATOM 0 HG3 MET A 44 1.505 6.329 -2.417 1.00 10.00 H new ATOM 0 HE1 MET A 44 4.242 6.461 -5.004 1.00 10.00 H new ATOM 0 HE2 MET A 44 3.334 7.231 -3.681 1.00 10.00 H new ATOM 0 HE3 MET A 44 4.538 5.973 -3.319 1.00 10.00 H new ATOM 473 N LYS A 45 3.207 4.282 1.570 1.00 10.00 N ATOM 474 CA LYS A 45 3.940 3.545 2.586 1.00 10.00 C ATOM 475 C LYS A 45 3.081 3.315 3.828 1.00 10.00 C ATOM 476 O LYS A 45 3.107 2.234 4.411 1.00 10.00 O ATOM 477 CB LYS A 45 5.223 4.294 2.953 1.00 10.00 C ATOM 478 CG LYS A 45 6.275 4.253 1.854 1.00 10.00 C ATOM 479 CD LYS A 45 7.498 5.081 2.212 1.00 10.00 C ATOM 480 CE LYS A 45 8.546 5.014 1.114 1.00 10.00 C ATOM 481 NZ LYS A 45 9.798 5.719 1.493 1.00 10.00 N ATOM 0 H LYS A 45 3.525 5.241 1.433 1.00 10.00 H new ATOM 0 HA LYS A 45 4.203 2.569 2.178 1.00 10.00 H new ATOM 0 HB2 LYS A 45 4.979 5.333 3.175 1.00 10.00 H new ATOM 0 HB3 LYS A 45 5.640 3.863 3.863 1.00 10.00 H new ATOM 0 HG2 LYS A 45 6.575 3.220 1.676 1.00 10.00 H new ATOM 0 HG3 LYS A 45 5.844 4.624 0.924 1.00 10.00 H new ATOM 0 HD2 LYS A 45 7.204 6.118 2.375 1.00 10.00 H new ATOM 0 HD3 LYS A 45 7.924 4.720 3.148 1.00 10.00 H new ATOM 0 HE2 LYS A 45 8.771 3.971 0.891 1.00 10.00 H new ATOM 0 HE3 LYS A 45 8.144 5.455 0.202 1.00 10.00 H new ATOM 0 HZ1 LYS A 45 10.485 5.648 0.716 1.00 10.00 H new ATOM 0 HZ2 LYS A 45 9.589 6.720 1.681 1.00 10.00 H new ATOM 0 HZ3 LYS A 45 10.197 5.282 2.348 1.00 10.00 H new ATOM 495 N ALA A 46 2.305 4.328 4.209 1.00 10.00 N ATOM 496 CA ALA A 46 1.436 4.235 5.381 1.00 10.00 C ATOM 497 C ALA A 46 0.468 3.066 5.252 1.00 10.00 C ATOM 498 O ALA A 46 0.301 2.282 6.190 1.00 10.00 O ATOM 499 CB ALA A 46 0.672 5.531 5.586 1.00 10.00 C ATOM 0 H ALA A 46 2.260 5.224 3.723 1.00 10.00 H new ATOM 0 HA ALA A 46 2.067 4.061 6.252 1.00 10.00 H new ATOM 0 HB1 ALA A 46 0.031 5.441 6.463 1.00 10.00 H new ATOM 0 HB2 ALA A 46 1.377 6.349 5.734 1.00 10.00 H new ATOM 0 HB3 ALA A 46 0.059 5.735 4.708 1.00 10.00 H new ATOM 505 N TYR A 47 -0.161 2.942 4.086 1.00 10.00 N ATOM 506 CA TYR A 47 -1.101 1.852 3.839 1.00 10.00 C ATOM 507 C TYR A 47 -0.357 0.518 3.819 1.00 10.00 C ATOM 508 O TYR A 47 -0.864 -0.496 4.299 1.00 10.00 O ATOM 509 CB TYR A 47 -1.852 2.070 2.520 1.00 10.00 C ATOM 510 CG TYR A 47 -2.798 0.942 2.161 1.00 10.00 C ATOM 511 CD1 TYR A 47 -2.474 0.017 1.176 1.00 10.00 C ATOM 512 CD2 TYR A 47 -4.016 0.802 2.815 1.00 10.00 C ATOM 513 CE1 TYR A 47 -3.334 -1.012 0.853 1.00 10.00 C ATOM 514 CE2 TYR A 47 -4.882 -0.224 2.498 1.00 10.00 C ATOM 515 CZ TYR A 47 -4.537 -1.129 1.517 1.00 10.00 C ATOM 516 OH TYR A 47 -5.395 -2.155 1.204 1.00 10.00 O ATOM 0 H TYR A 47 -0.038 3.580 3.300 1.00 10.00 H new ATOM 0 HA TYR A 47 -1.835 1.835 4.645 1.00 10.00 H new ATOM 0 HB2 TYR A 47 -2.418 3.000 2.584 1.00 10.00 H new ATOM 0 HB3 TYR A 47 -1.127 2.193 1.716 1.00 10.00 H new ATOM 0 HD1 TYR A 47 -1.533 0.105 0.654 1.00 10.00 H new ATOM 0 HD2 TYR A 47 -4.289 1.509 3.585 1.00 10.00 H new ATOM 0 HE1 TYR A 47 -3.067 -1.722 0.084 1.00 10.00 H new ATOM 0 HE2 TYR A 47 -5.825 -0.318 3.016 1.00 10.00 H new ATOM 0 HH TYR A 47 -6.197 -2.094 1.764 1.00 10.00 H new ATOM 526 N CYS A 48 0.856 0.541 3.284 1.00 10.00 N ATOM 527 CA CYS A 48 1.694 -0.646 3.204 1.00 10.00 C ATOM 528 C CYS A 48 2.004 -1.174 4.606 1.00 10.00 C ATOM 529 O CYS A 48 1.967 -2.386 4.846 1.00 10.00 O ATOM 530 CB CYS A 48 2.986 -0.312 2.445 1.00 10.00 C ATOM 531 SG CYS A 48 4.421 -1.308 2.907 1.00 10.00 S ATOM 0 H CYS A 48 1.285 1.380 2.895 1.00 10.00 H new ATOM 0 HA CYS A 48 1.162 -1.428 2.662 1.00 10.00 H new ATOM 0 HB2 CYS A 48 2.805 -0.436 1.377 1.00 10.00 H new ATOM 0 HB3 CYS A 48 3.224 0.739 2.608 1.00 10.00 H new ATOM 0 HG CYS A 48 4.069 -2.555 3.009 1.00 10.00 H new ATOM 537 N GLU A 49 2.283 -0.259 5.529 1.00 10.00 N ATOM 538 CA GLU A 49 2.585 -0.622 6.910 1.00 10.00 C ATOM 539 C GLU A 49 1.352 -1.212 7.590 1.00 10.00 C ATOM 540 O GLU A 49 1.456 -2.107 8.427 1.00 10.00 O ATOM 541 CB GLU A 49 3.056 0.607 7.692 1.00 10.00 C ATOM 542 CG GLU A 49 4.276 1.293 7.102 1.00 10.00 C ATOM 543 CD GLU A 49 5.551 0.503 7.309 1.00 10.00 C ATOM 544 OE1 GLU A 49 6.000 0.395 8.469 1.00 10.00 O ATOM 545 OE2 GLU A 49 6.111 -0.004 6.314 1.00 10.00 O ATOM 0 H GLU A 49 2.306 0.744 5.345 1.00 10.00 H new ATOM 0 HA GLU A 49 3.379 -1.369 6.899 1.00 10.00 H new ATOM 0 HB2 GLU A 49 2.238 1.326 7.743 1.00 10.00 H new ATOM 0 HB3 GLU A 49 3.281 0.308 8.716 1.00 10.00 H new ATOM 0 HG2 GLU A 49 4.119 1.448 6.035 1.00 10.00 H new ATOM 0 HG3 GLU A 49 4.387 2.279 7.554 1.00 10.00 H new ATOM 552 N ARG A 50 0.183 -0.710 7.204 1.00 10.00 N ATOM 553 CA ARG A 50 -1.083 -1.165 7.774 1.00 10.00 C ATOM 554 C ARG A 50 -1.414 -2.584 7.333 1.00 10.00 C ATOM 555 O ARG A 50 -1.980 -3.365 8.096 1.00 10.00 O ATOM 556 CB ARG A 50 -2.218 -0.224 7.369 1.00 10.00 C ATOM 557 CG ARG A 50 -2.581 0.791 8.438 1.00 10.00 C ATOM 558 CD ARG A 50 -1.432 1.753 8.709 1.00 10.00 C ATOM 559 NE ARG A 50 -1.163 1.898 10.136 1.00 10.00 N ATOM 560 CZ ARG A 50 -0.103 2.534 10.636 1.00 10.00 C ATOM 561 NH1 ARG A 50 0.799 3.079 9.823 1.00 10.00 N ATOM 562 NH2 ARG A 50 0.061 2.618 11.950 1.00 10.00 N ATOM 0 H ARG A 50 0.085 0.016 6.495 1.00 10.00 H new ATOM 0 HA ARG A 50 -0.976 -1.159 8.859 1.00 10.00 H new ATOM 0 HB2 ARG A 50 -1.932 0.305 6.460 1.00 10.00 H new ATOM 0 HB3 ARG A 50 -3.101 -0.816 7.128 1.00 10.00 H new ATOM 0 HG2 ARG A 50 -3.461 1.353 8.124 1.00 10.00 H new ATOM 0 HG3 ARG A 50 -2.847 0.272 9.359 1.00 10.00 H new ATOM 0 HD2 ARG A 50 -0.534 1.395 8.206 1.00 10.00 H new ATOM 0 HD3 ARG A 50 -1.668 2.729 8.284 1.00 10.00 H new ATOM 0 HE ARG A 50 -1.827 1.487 10.792 1.00 10.00 H new ATOM 0 HH11 ARG A 50 0.681 3.011 8.812 1.00 10.00 H new ATOM 0 HH12 ARG A 50 1.608 3.564 10.211 1.00 10.00 H new ATOM 0 HH21 ARG A 50 -0.624 2.196 12.577 1.00 10.00 H new ATOM 0 HH22 ARG A 50 0.872 3.104 12.333 1.00 10.00 H new ATOM 576 N GLN A 51 -1.065 -2.910 6.099 1.00 10.00 N ATOM 577 CA GLN A 51 -1.332 -4.237 5.562 1.00 10.00 C ATOM 578 C GLN A 51 -0.246 -5.221 5.986 1.00 10.00 C ATOM 579 O GLN A 51 -0.436 -6.437 5.925 1.00 10.00 O ATOM 580 CB GLN A 51 -1.432 -4.185 4.038 1.00 10.00 C ATOM 581 CG GLN A 51 -2.608 -3.362 3.542 1.00 10.00 C ATOM 582 CD GLN A 51 -3.943 -3.904 4.020 1.00 10.00 C ATOM 583 OE1 GLN A 51 -4.417 -3.558 5.102 1.00 10.00 O ATOM 584 NE2 GLN A 51 -4.562 -4.748 3.211 1.00 10.00 N ATOM 0 H GLN A 51 -0.597 -2.277 5.451 1.00 10.00 H new ATOM 0 HA GLN A 51 -2.285 -4.582 5.964 1.00 10.00 H new ATOM 0 HB2 GLN A 51 -0.509 -3.768 3.634 1.00 10.00 H new ATOM 0 HB3 GLN A 51 -1.519 -5.200 3.651 1.00 10.00 H new ATOM 0 HG2 GLN A 51 -2.495 -2.333 3.882 1.00 10.00 H new ATOM 0 HG3 GLN A 51 -2.598 -3.341 2.452 1.00 10.00 H new ATOM 0 HE21 GLN A 51 -4.135 -5.009 2.322 1.00 10.00 H new ATOM 0 HE22 GLN A 51 -5.467 -5.138 3.476 1.00 10.00 H new ATOM 593 N GLY A 52 0.889 -4.682 6.416 1.00 10.00 N ATOM 594 CA GLY A 52 1.993 -5.517 6.841 1.00 10.00 C ATOM 595 C GLY A 52 2.641 -6.229 5.674 1.00 10.00 C ATOM 596 O GLY A 52 3.121 -7.352 5.809 1.00 10.00 O ATOM 0 H GLY A 52 1.063 -3.679 6.477 1.00 10.00 H new ATOM 0 HA2 GLY A 52 2.736 -4.905 7.351 1.00 10.00 H new ATOM 0 HA3 GLY A 52 1.636 -6.252 7.562 1.00 10.00 H new ATOM 600 N LEU A 53 2.647 -5.571 4.528 1.00 10.00 N ATOM 601 CA LEU A 53 3.234 -6.134 3.322 1.00 10.00 C ATOM 602 C LEU A 53 4.316 -5.203 2.798 1.00 10.00 C ATOM 603 O LEU A 53 4.670 -4.225 3.461 1.00 10.00 O ATOM 604 CB LEU A 53 2.157 -6.345 2.250 1.00 10.00 C ATOM 605 CG LEU A 53 1.015 -7.282 2.645 1.00 10.00 C ATOM 606 CD1 LEU A 53 -0.107 -7.217 1.619 1.00 10.00 C ATOM 607 CD2 LEU A 53 1.516 -8.710 2.795 1.00 10.00 C ATOM 0 H LEU A 53 2.249 -4.640 4.406 1.00 10.00 H new ATOM 0 HA LEU A 53 3.676 -7.101 3.562 1.00 10.00 H new ATOM 0 HB2 LEU A 53 1.735 -5.375 1.987 1.00 10.00 H new ATOM 0 HB3 LEU A 53 2.634 -6.739 1.352 1.00 10.00 H new ATOM 0 HG LEU A 53 0.623 -6.955 3.608 1.00 10.00 H new ATOM 0 HD11 LEU A 53 -0.911 -7.890 1.916 1.00 10.00 H new ATOM 0 HD12 LEU A 53 -0.489 -6.198 1.562 1.00 10.00 H new ATOM 0 HD13 LEU A 53 0.275 -7.516 0.643 1.00 10.00 H new ATOM 0 HD21 LEU A 53 0.687 -9.359 3.076 1.00 10.00 H new ATOM 0 HD22 LEU A 53 1.937 -9.049 1.849 1.00 10.00 H new ATOM 0 HD23 LEU A 53 2.284 -8.747 3.568 1.00 10.00 H new ATOM 619 N SER A 54 4.844 -5.504 1.624 1.00 10.00 N ATOM 620 CA SER A 54 5.878 -4.673 1.032 1.00 10.00 C ATOM 621 C SER A 54 5.255 -3.668 0.069 1.00 10.00 C ATOM 622 O SER A 54 4.288 -3.981 -0.627 1.00 10.00 O ATOM 623 CB SER A 54 6.906 -5.539 0.300 1.00 10.00 C ATOM 624 OG SER A 54 7.929 -4.745 -0.277 1.00 10.00 O ATOM 0 H SER A 54 4.576 -6.313 1.064 1.00 10.00 H new ATOM 0 HA SER A 54 6.387 -4.130 1.828 1.00 10.00 H new ATOM 0 HB2 SER A 54 7.346 -6.253 0.997 1.00 10.00 H new ATOM 0 HB3 SER A 54 6.409 -6.118 -0.478 1.00 10.00 H new ATOM 0 HG SER A 54 8.573 -5.324 -0.737 1.00 10.00 H new ATOM 630 N MET A 55 5.812 -2.465 0.034 1.00 10.00 N ATOM 631 CA MET A 55 5.317 -1.410 -0.843 1.00 10.00 C ATOM 632 C MET A 55 5.506 -1.791 -2.310 1.00 10.00 C ATOM 633 O MET A 55 4.734 -1.381 -3.172 1.00 10.00 O ATOM 634 CB MET A 55 6.047 -0.096 -0.550 1.00 10.00 C ATOM 635 CG MET A 55 5.588 1.065 -1.419 1.00 10.00 C ATOM 636 SD MET A 55 6.763 2.433 -1.425 1.00 10.00 S ATOM 637 CE MET A 55 6.023 3.504 -2.655 1.00 10.00 C ATOM 0 H MET A 55 6.612 -2.193 0.606 1.00 10.00 H new ATOM 0 HA MET A 55 4.252 -1.280 -0.653 1.00 10.00 H new ATOM 0 HB2 MET A 55 5.900 0.165 0.498 1.00 10.00 H new ATOM 0 HB3 MET A 55 7.117 -0.245 -0.694 1.00 10.00 H new ATOM 0 HG2 MET A 55 5.440 0.713 -2.440 1.00 10.00 H new ATOM 0 HG3 MET A 55 4.622 1.422 -1.062 1.00 10.00 H new ATOM 0 HE1 MET A 55 6.403 4.518 -2.531 1.00 10.00 H new ATOM 0 HE2 MET A 55 6.275 3.142 -3.652 1.00 10.00 H new ATOM 0 HE3 MET A 55 4.940 3.505 -2.532 1.00 10.00 H new ATOM 647 N ARG A 56 6.523 -2.601 -2.581 1.00 10.00 N ATOM 648 CA ARG A 56 6.819 -3.026 -3.942 1.00 10.00 C ATOM 649 C ARG A 56 5.929 -4.196 -4.361 1.00 10.00 C ATOM 650 O ARG A 56 5.939 -4.612 -5.522 1.00 10.00 O ATOM 651 CB ARG A 56 8.291 -3.416 -4.067 1.00 10.00 C ATOM 652 CG ARG A 56 8.851 -3.232 -5.467 1.00 10.00 C ATOM 653 CD ARG A 56 10.297 -3.686 -5.551 1.00 10.00 C ATOM 654 NE ARG A 56 10.418 -5.143 -5.582 1.00 10.00 N ATOM 655 CZ ARG A 56 11.532 -5.788 -5.919 1.00 10.00 C ATOM 656 NH1 ARG A 56 12.636 -5.107 -6.205 1.00 10.00 N ATOM 657 NH2 ARG A 56 11.545 -7.115 -5.953 1.00 10.00 N ATOM 0 H ARG A 56 7.156 -2.976 -1.875 1.00 10.00 H new ATOM 0 HA ARG A 56 6.614 -2.188 -4.608 1.00 10.00 H new ATOM 0 HB2 ARG A 56 8.877 -2.819 -3.369 1.00 10.00 H new ATOM 0 HB3 ARG A 56 8.409 -4.459 -3.772 1.00 10.00 H new ATOM 0 HG2 ARG A 56 8.249 -3.798 -6.178 1.00 10.00 H new ATOM 0 HG3 ARG A 56 8.781 -2.183 -5.753 1.00 10.00 H new ATOM 0 HD2 ARG A 56 10.756 -3.266 -6.446 1.00 10.00 H new ATOM 0 HD3 ARG A 56 10.849 -3.295 -4.696 1.00 10.00 H new ATOM 0 HE ARG A 56 9.600 -5.698 -5.330 1.00 10.00 H new ATOM 0 HH11 ARG A 56 12.631 -4.088 -6.166 1.00 10.00 H new ATOM 0 HH12 ARG A 56 13.489 -5.603 -6.463 1.00 10.00 H new ATOM 0 HH21 ARG A 56 10.701 -7.639 -5.721 1.00 10.00 H new ATOM 0 HH22 ARG A 56 12.399 -7.610 -6.211 1.00 10.00 H new ATOM 671 N GLN A 57 5.158 -4.714 -3.418 1.00 10.00 N ATOM 672 CA GLN A 57 4.261 -5.831 -3.691 1.00 10.00 C ATOM 673 C GLN A 57 2.932 -5.316 -4.235 1.00 10.00 C ATOM 674 O GLN A 57 2.165 -6.054 -4.852 1.00 10.00 O ATOM 675 CB GLN A 57 4.033 -6.645 -2.417 1.00 10.00 C ATOM 676 CG GLN A 57 3.328 -7.973 -2.648 1.00 10.00 C ATOM 677 CD GLN A 57 2.784 -8.572 -1.365 1.00 10.00 C ATOM 678 OE1 GLN A 57 3.315 -8.336 -0.280 1.00 10.00 O ATOM 679 NE2 GLN A 57 1.724 -9.355 -1.483 1.00 10.00 N ATOM 0 H GLN A 57 5.134 -4.380 -2.455 1.00 10.00 H new ATOM 0 HA GLN A 57 4.719 -6.476 -4.441 1.00 10.00 H new ATOM 0 HB2 GLN A 57 4.996 -6.834 -1.942 1.00 10.00 H new ATOM 0 HB3 GLN A 57 3.445 -6.050 -1.719 1.00 10.00 H new ATOM 0 HG2 GLN A 57 2.510 -7.829 -3.353 1.00 10.00 H new ATOM 0 HG3 GLN A 57 4.024 -8.675 -3.107 1.00 10.00 H new ATOM 0 HE21 GLN A 57 1.315 -9.524 -2.402 1.00 10.00 H new ATOM 0 HE22 GLN A 57 1.316 -9.789 -0.655 1.00 10.00 H new ATOM 688 N ILE A 58 2.674 -4.037 -4.010 1.00 10.00 N ATOM 689 CA ILE A 58 1.443 -3.415 -4.471 1.00 10.00 C ATOM 690 C ILE A 58 1.747 -2.224 -5.372 1.00 10.00 C ATOM 691 O ILE A 58 2.901 -1.813 -5.504 1.00 10.00 O ATOM 692 CB ILE A 58 0.560 -2.959 -3.289 1.00 10.00 C ATOM 693 CG1 ILE A 58 1.408 -2.257 -2.221 1.00 10.00 C ATOM 694 CG2 ILE A 58 -0.183 -4.148 -2.697 1.00 10.00 C ATOM 695 CD1 ILE A 58 0.611 -1.777 -1.024 1.00 10.00 C ATOM 0 H ILE A 58 3.302 -3.408 -3.510 1.00 10.00 H new ATOM 0 HA ILE A 58 0.894 -4.166 -5.039 1.00 10.00 H new ATOM 0 HB ILE A 58 -0.175 -2.244 -3.659 1.00 10.00 H new ATOM 0 HG12 ILE A 58 2.183 -2.942 -1.878 1.00 10.00 H new ATOM 0 HG13 ILE A 58 1.914 -1.404 -2.675 1.00 10.00 H new ATOM 0 HG21 ILE A 58 -0.802 -3.813 -1.865 1.00 10.00 H new ATOM 0 HG22 ILE A 58 -0.816 -4.599 -3.461 1.00 10.00 H new ATOM 0 HG23 ILE A 58 0.536 -4.886 -2.340 1.00 10.00 H new ATOM 0 HD11 ILE A 58 1.279 -1.291 -0.313 1.00 10.00 H new ATOM 0 HD12 ILE A 58 -0.147 -1.066 -1.353 1.00 10.00 H new ATOM 0 HD13 ILE A 58 0.127 -2.628 -0.544 1.00 10.00 H new ATOM 707 N ARG A 59 0.717 -1.701 -6.016 1.00 10.00 N ATOM 708 CA ARG A 59 0.856 -0.551 -6.898 1.00 10.00 C ATOM 709 C ARG A 59 -0.304 0.410 -6.690 1.00 10.00 C ATOM 710 O ARG A 59 -1.457 -0.013 -6.583 1.00 10.00 O ATOM 711 CB ARG A 59 0.902 -0.987 -8.367 1.00 10.00 C ATOM 712 CG ARG A 59 2.206 -1.652 -8.783 1.00 10.00 C ATOM 713 CD ARG A 59 3.410 -0.756 -8.517 1.00 10.00 C ATOM 714 NE ARG A 59 4.651 -1.338 -9.031 1.00 10.00 N ATOM 715 CZ ARG A 59 5.329 -2.309 -8.419 1.00 10.00 C ATOM 716 NH1 ARG A 59 4.922 -2.775 -7.243 1.00 10.00 N ATOM 717 NH2 ARG A 59 6.430 -2.798 -8.978 1.00 10.00 N ATOM 0 H ARG A 59 -0.236 -2.059 -5.944 1.00 10.00 H new ATOM 0 HA ARG A 59 1.793 -0.051 -6.654 1.00 10.00 H new ATOM 0 HB2 ARG A 59 0.080 -1.678 -8.555 1.00 10.00 H new ATOM 0 HB3 ARG A 59 0.736 -0.114 -8.998 1.00 10.00 H new ATOM 0 HG2 ARG A 59 2.324 -2.590 -8.241 1.00 10.00 H new ATOM 0 HG3 ARG A 59 2.165 -1.900 -9.844 1.00 10.00 H new ATOM 0 HD2 ARG A 59 3.247 0.217 -8.980 1.00 10.00 H new ATOM 0 HD3 ARG A 59 3.506 -0.587 -7.445 1.00 10.00 H new ATOM 0 HE ARG A 59 5.020 -0.978 -9.912 1.00 10.00 H new ATOM 0 HH11 ARG A 59 4.086 -2.390 -6.803 1.00 10.00 H new ATOM 0 HH12 ARG A 59 5.445 -3.518 -6.780 1.00 10.00 H new ATOM 0 HH21 ARG A 59 6.754 -2.431 -9.873 1.00 10.00 H new ATOM 0 HH22 ARG A 59 6.951 -3.541 -8.513 1.00 10.00 H new ATOM 731 N PHE A 60 0.003 1.697 -6.630 1.00 10.00 N ATOM 732 CA PHE A 60 -1.020 2.715 -6.434 1.00 10.00 C ATOM 733 C PHE A 60 -1.270 3.480 -7.725 1.00 10.00 C ATOM 734 O PHE A 60 -0.333 3.874 -8.422 1.00 10.00 O ATOM 735 CB PHE A 60 -0.607 3.688 -5.330 1.00 10.00 C ATOM 736 CG PHE A 60 -0.840 3.169 -3.939 1.00 10.00 C ATOM 737 CD1 PHE A 60 -0.042 2.164 -3.415 1.00 10.00 C ATOM 738 CD2 PHE A 60 -1.849 3.696 -3.151 1.00 10.00 C ATOM 739 CE1 PHE A 60 -0.247 1.693 -2.134 1.00 10.00 C ATOM 740 CE2 PHE A 60 -2.062 3.228 -1.868 1.00 10.00 C ATOM 741 CZ PHE A 60 -1.260 2.227 -1.359 1.00 10.00 C ATOM 0 H PHE A 60 0.952 2.062 -6.714 1.00 10.00 H new ATOM 0 HA PHE A 60 -1.941 2.213 -6.137 1.00 10.00 H new ATOM 0 HB2 PHE A 60 0.451 3.925 -5.446 1.00 10.00 H new ATOM 0 HB3 PHE A 60 -1.158 4.620 -5.456 1.00 10.00 H new ATOM 0 HD1 PHE A 60 0.750 1.744 -4.017 1.00 10.00 H new ATOM 0 HD2 PHE A 60 -2.477 4.482 -3.543 1.00 10.00 H new ATOM 0 HE1 PHE A 60 0.382 0.910 -1.738 1.00 10.00 H new ATOM 0 HE2 PHE A 60 -2.855 3.645 -1.265 1.00 10.00 H new ATOM 0 HZ PHE A 60 -1.423 1.861 -0.356 1.00 10.00 H new ATOM 751 N ARG A 61 -2.535 3.684 -8.047 1.00 10.00 N ATOM 752 CA ARG A 61 -2.907 4.402 -9.254 1.00 10.00 C ATOM 753 C ARG A 61 -3.950 5.468 -8.946 1.00 10.00 C ATOM 754 O ARG A 61 -4.884 5.234 -8.183 1.00 10.00 O ATOM 755 CB ARG A 61 -3.441 3.430 -10.308 1.00 10.00 C ATOM 756 CG ARG A 61 -2.378 2.506 -10.880 1.00 10.00 C ATOM 757 CD ARG A 61 -2.920 1.687 -12.034 1.00 10.00 C ATOM 758 NE ARG A 61 -1.862 0.960 -12.736 1.00 10.00 N ATOM 759 CZ ARG A 61 -1.845 0.768 -14.055 1.00 10.00 C ATOM 760 NH1 ARG A 61 -2.847 1.207 -14.806 1.00 10.00 N ATOM 761 NH2 ARG A 61 -0.828 0.125 -14.621 1.00 10.00 N ATOM 0 H ARG A 61 -3.325 3.362 -7.488 1.00 10.00 H new ATOM 0 HA ARG A 61 -2.017 4.893 -9.648 1.00 10.00 H new ATOM 0 HB2 ARG A 61 -4.234 2.827 -9.865 1.00 10.00 H new ATOM 0 HB3 ARG A 61 -3.890 4.000 -11.121 1.00 10.00 H new ATOM 0 HG2 ARG A 61 -1.526 3.095 -11.219 1.00 10.00 H new ATOM 0 HG3 ARG A 61 -2.014 1.839 -10.098 1.00 10.00 H new ATOM 0 HD2 ARG A 61 -3.659 0.979 -11.660 1.00 10.00 H new ATOM 0 HD3 ARG A 61 -3.434 2.345 -12.735 1.00 10.00 H new ATOM 0 HE ARG A 61 -1.093 0.578 -12.185 1.00 10.00 H new ATOM 0 HH11 ARG A 61 -3.633 1.693 -14.374 1.00 10.00 H new ATOM 0 HH12 ARG A 61 -2.831 1.059 -15.815 1.00 10.00 H new ATOM 0 HH21 ARG A 61 -0.060 -0.222 -14.046 1.00 10.00 H new ATOM 0 HH22 ARG A 61 -0.816 -0.022 -15.630 1.00 10.00 H new ATOM 775 N PHE A 62 -3.774 6.639 -9.531 1.00 10.00 N ATOM 776 CA PHE A 62 -4.696 7.744 -9.337 1.00 10.00 C ATOM 777 C PHE A 62 -5.394 8.065 -10.649 1.00 10.00 C ATOM 778 O PHE A 62 -4.746 8.456 -11.618 1.00 10.00 O ATOM 779 CB PHE A 62 -3.948 8.977 -8.820 1.00 10.00 C ATOM 780 CG PHE A 62 -4.745 10.252 -8.907 1.00 10.00 C ATOM 781 CD1 PHE A 62 -5.767 10.509 -8.009 1.00 10.00 C ATOM 782 CD2 PHE A 62 -4.468 11.193 -9.890 1.00 10.00 C ATOM 783 CE1 PHE A 62 -6.504 11.676 -8.091 1.00 10.00 C ATOM 784 CE2 PHE A 62 -5.201 12.363 -9.976 1.00 10.00 C ATOM 785 CZ PHE A 62 -6.218 12.605 -9.075 1.00 10.00 C ATOM 0 H PHE A 62 -2.992 6.851 -10.151 1.00 10.00 H new ATOM 0 HA PHE A 62 -5.442 7.457 -8.596 1.00 10.00 H new ATOM 0 HB2 PHE A 62 -3.662 8.808 -7.782 1.00 10.00 H new ATOM 0 HB3 PHE A 62 -3.026 9.096 -9.389 1.00 10.00 H new ATOM 0 HD1 PHE A 62 -5.991 9.789 -7.235 1.00 10.00 H new ATOM 0 HD2 PHE A 62 -3.671 11.009 -10.595 1.00 10.00 H new ATOM 0 HE1 PHE A 62 -7.302 11.862 -7.388 1.00 10.00 H new ATOM 0 HE2 PHE A 62 -4.978 13.086 -10.747 1.00 10.00 H new ATOM 0 HZ PHE A 62 -6.790 13.519 -9.138 1.00 10.00 H new ATOM 795 N ASP A 63 -6.708 7.860 -10.684 1.00 10.00 N ATOM 796 CA ASP A 63 -7.506 8.133 -11.880 1.00 10.00 C ATOM 797 C ASP A 63 -6.998 7.316 -13.072 1.00 10.00 C ATOM 798 O ASP A 63 -7.145 7.708 -14.230 1.00 10.00 O ATOM 799 CB ASP A 63 -7.483 9.635 -12.201 1.00 10.00 C ATOM 800 CG ASP A 63 -8.574 10.044 -13.170 1.00 10.00 C ATOM 801 OD1 ASP A 63 -9.717 9.551 -13.028 1.00 10.00 O ATOM 802 OD2 ASP A 63 -8.299 10.863 -14.072 1.00 10.00 O ATOM 0 H ASP A 63 -7.247 7.504 -9.894 1.00 10.00 H new ATOM 0 HA ASP A 63 -8.536 7.835 -11.684 1.00 10.00 H new ATOM 0 HB2 ASP A 63 -7.593 10.201 -11.276 1.00 10.00 H new ATOM 0 HB3 ASP A 63 -6.512 9.897 -12.622 1.00 10.00 H new ATOM 807 N GLY A 64 -6.395 6.170 -12.774 1.00 10.00 N ATOM 808 CA GLY A 64 -5.868 5.311 -13.814 1.00 10.00 C ATOM 809 C GLY A 64 -4.398 5.561 -14.088 1.00 10.00 C ATOM 810 O GLY A 64 -3.746 4.785 -14.787 1.00 10.00 O ATOM 0 H GLY A 64 -6.262 5.821 -11.825 1.00 10.00 H new ATOM 0 HA2 GLY A 64 -6.008 4.269 -13.525 1.00 10.00 H new ATOM 0 HA3 GLY A 64 -6.436 5.466 -14.731 1.00 10.00 H new ATOM 814 N GLN A 65 -3.868 6.640 -13.528 1.00 10.00 N ATOM 815 CA GLN A 65 -2.469 6.992 -13.725 1.00 10.00 C ATOM 816 C GLN A 65 -1.620 6.534 -12.540 1.00 10.00 C ATOM 817 O GLN A 65 -1.870 6.931 -11.403 1.00 10.00 O ATOM 818 CB GLN A 65 -2.325 8.504 -13.916 1.00 10.00 C ATOM 819 CG GLN A 65 -3.021 9.020 -15.167 1.00 10.00 C ATOM 820 CD GLN A 65 -2.310 8.602 -16.442 1.00 10.00 C ATOM 821 OE1 GLN A 65 -2.533 7.510 -16.961 1.00 10.00 O ATOM 822 NE2 GLN A 65 -1.458 9.472 -16.959 1.00 10.00 N ATOM 0 H GLN A 65 -4.386 7.287 -12.933 1.00 10.00 H new ATOM 0 HA GLN A 65 -2.114 6.483 -14.621 1.00 10.00 H new ATOM 0 HB2 GLN A 65 -2.734 9.014 -13.044 1.00 10.00 H new ATOM 0 HB3 GLN A 65 -1.266 8.758 -13.966 1.00 10.00 H new ATOM 0 HG2 GLN A 65 -4.046 8.649 -15.188 1.00 10.00 H new ATOM 0 HG3 GLN A 65 -3.076 10.108 -15.126 1.00 10.00 H new ATOM 0 HE21 GLN A 65 -1.301 10.368 -16.497 1.00 10.00 H new ATOM 0 HE22 GLN A 65 -0.958 9.247 -17.819 1.00 10.00 H new ATOM 831 N PRO A 66 -0.621 5.673 -12.790 1.00 10.00 N ATOM 832 CA PRO A 66 0.275 5.170 -11.742 1.00 10.00 C ATOM 833 C PRO A 66 0.992 6.298 -11.008 1.00 10.00 C ATOM 834 O PRO A 66 1.701 7.107 -11.618 1.00 10.00 O ATOM 835 CB PRO A 66 1.276 4.303 -12.510 1.00 10.00 C ATOM 836 CG PRO A 66 0.578 3.937 -13.771 1.00 10.00 C ATOM 837 CD PRO A 66 -0.290 5.112 -14.110 1.00 10.00 C ATOM 0 HA PRO A 66 -0.266 4.626 -10.968 1.00 10.00 H new ATOM 0 HB2 PRO A 66 2.197 4.849 -12.713 1.00 10.00 H new ATOM 0 HB3 PRO A 66 1.550 3.416 -11.939 1.00 10.00 H new ATOM 0 HG2 PRO A 66 1.292 3.735 -14.569 1.00 10.00 H new ATOM 0 HG3 PRO A 66 -0.019 3.034 -13.640 1.00 10.00 H new ATOM 0 HD2 PRO A 66 0.235 5.834 -14.735 1.00 10.00 H new ATOM 0 HD3 PRO A 66 -1.184 4.809 -14.655 1.00 10.00 H new ATOM 845 N ILE A 67 0.802 6.345 -9.697 1.00 10.00 N ATOM 846 CA ILE A 67 1.402 7.381 -8.867 1.00 10.00 C ATOM 847 C ILE A 67 2.897 7.153 -8.705 1.00 10.00 C ATOM 848 O ILE A 67 3.345 6.015 -8.535 1.00 10.00 O ATOM 849 CB ILE A 67 0.745 7.434 -7.468 1.00 10.00 C ATOM 850 CG1 ILE A 67 -0.777 7.521 -7.597 1.00 10.00 C ATOM 851 CG2 ILE A 67 1.279 8.612 -6.663 1.00 10.00 C ATOM 852 CD1 ILE A 67 -1.500 7.542 -6.268 1.00 10.00 C ATOM 0 H ILE A 67 0.233 5.673 -9.182 1.00 10.00 H new ATOM 0 HA ILE A 67 1.234 8.331 -9.374 1.00 10.00 H new ATOM 0 HB ILE A 67 0.998 6.516 -6.937 1.00 10.00 H new ATOM 0 HG12 ILE A 67 -1.035 8.421 -8.155 1.00 10.00 H new ATOM 0 HG13 ILE A 67 -1.132 6.672 -8.181 1.00 10.00 H new ATOM 0 HG21 ILE A 67 0.802 8.629 -5.683 1.00 10.00 H new ATOM 0 HG22 ILE A 67 2.357 8.510 -6.541 1.00 10.00 H new ATOM 0 HG23 ILE A 67 1.060 9.541 -7.189 1.00 10.00 H new ATOM 0 HD11 ILE A 67 -2.575 7.605 -6.439 1.00 10.00 H new ATOM 0 HD12 ILE A 67 -1.273 6.630 -5.716 1.00 10.00 H new ATOM 0 HD13 ILE A 67 -1.174 8.407 -5.690 1.00 10.00 H new ATOM 864 N ASN A 68 3.666 8.230 -8.776 1.00 10.00 N ATOM 865 CA ASN A 68 5.106 8.145 -8.609 1.00 10.00 C ATOM 866 C ASN A 68 5.457 8.353 -7.146 1.00 10.00 C ATOM 867 O ASN A 68 4.629 8.812 -6.357 1.00 10.00 O ATOM 868 CB ASN A 68 5.829 9.189 -9.465 1.00 10.00 C ATOM 869 CG ASN A 68 5.497 9.080 -10.940 1.00 10.00 C ATOM 870 OD1 ASN A 68 6.083 8.280 -11.664 1.00 10.00 O ATOM 871 ND2 ASN A 68 4.552 9.886 -11.394 1.00 10.00 N ATOM 0 H ASN A 68 3.315 9.172 -8.948 1.00 10.00 H new ATOM 0 HA ASN A 68 5.431 7.157 -8.935 1.00 10.00 H new ATOM 0 HB2 ASN A 68 5.565 10.186 -9.112 1.00 10.00 H new ATOM 0 HB3 ASN A 68 6.905 9.078 -9.331 1.00 10.00 H new ATOM 0 HD21 ASN A 68 4.286 9.857 -12.378 1.00 10.00 H new ATOM 0 HD22 ASN A 68 4.089 10.537 -10.760 1.00 10.00 H new ATOM 878 N GLU A 69 6.692 8.049 -6.788 1.00 10.00 N ATOM 879 CA GLU A 69 7.147 8.199 -5.414 1.00 10.00 C ATOM 880 C GLU A 69 7.494 9.654 -5.104 1.00 10.00 C ATOM 881 O GLU A 69 7.969 9.968 -4.015 1.00 10.00 O ATOM 882 CB GLU A 69 8.352 7.292 -5.163 1.00 10.00 C ATOM 883 CG GLU A 69 8.009 5.814 -5.246 1.00 10.00 C ATOM 884 CD GLU A 69 9.181 4.951 -5.652 1.00 10.00 C ATOM 885 OE1 GLU A 69 9.701 4.205 -4.797 1.00 10.00 O ATOM 886 OE2 GLU A 69 9.583 5.006 -6.834 1.00 10.00 O ATOM 0 H GLU A 69 7.401 7.696 -7.431 1.00 10.00 H new ATOM 0 HA GLU A 69 6.336 7.903 -4.748 1.00 10.00 H new ATOM 0 HB2 GLU A 69 9.130 7.520 -5.892 1.00 10.00 H new ATOM 0 HB3 GLU A 69 8.764 7.509 -4.178 1.00 10.00 H new ATOM 0 HG2 GLU A 69 7.638 5.479 -4.277 1.00 10.00 H new ATOM 0 HG3 GLU A 69 7.199 5.676 -5.962 1.00 10.00 H new ATOM 893 N THR A 70 7.246 10.533 -6.065 1.00 10.00 N ATOM 894 CA THR A 70 7.521 11.950 -5.895 1.00 10.00 C ATOM 895 C THR A 70 6.284 12.788 -6.207 1.00 10.00 C ATOM 896 O THR A 70 6.375 13.996 -6.421 1.00 10.00 O ATOM 897 CB THR A 70 8.678 12.391 -6.808 1.00 10.00 C ATOM 898 OG1 THR A 70 8.905 11.393 -7.814 1.00 10.00 O ATOM 899 CG2 THR A 70 9.948 12.612 -6.003 1.00 10.00 C ATOM 0 H THR A 70 6.853 10.287 -6.974 1.00 10.00 H new ATOM 0 HA THR A 70 7.803 12.108 -4.854 1.00 10.00 H new ATOM 0 HB THR A 70 8.406 13.333 -7.283 1.00 10.00 H new ATOM 0 HG1 THR A 70 9.641 11.676 -8.396 1.00 10.00 H new ATOM 0 HG21 THR A 70 10.752 12.923 -6.670 1.00 10.00 H new ATOM 0 HG22 THR A 70 9.775 13.387 -5.256 1.00 10.00 H new ATOM 0 HG23 THR A 70 10.229 11.684 -5.504 1.00 10.00 H new ATOM 907 N ASP A 71 5.124 12.142 -6.216 1.00 10.00 N ATOM 908 CA ASP A 71 3.871 12.830 -6.509 1.00 10.00 C ATOM 909 C ASP A 71 3.225 13.357 -5.235 1.00 10.00 C ATOM 910 O ASP A 71 3.397 12.787 -4.154 1.00 10.00 O ATOM 911 CB ASP A 71 2.894 11.897 -7.225 1.00 10.00 C ATOM 912 CG ASP A 71 2.996 11.980 -8.734 1.00 10.00 C ATOM 913 OD1 ASP A 71 2.985 13.103 -9.277 1.00 10.00 O ATOM 914 OD2 ASP A 71 3.074 10.916 -9.386 1.00 10.00 O ATOM 0 H ASP A 71 5.024 11.145 -6.024 1.00 10.00 H new ATOM 0 HA ASP A 71 4.105 13.672 -7.161 1.00 10.00 H new ATOM 0 HB2 ASP A 71 3.082 10.871 -6.909 1.00 10.00 H new ATOM 0 HB3 ASP A 71 1.876 12.142 -6.921 1.00 10.00 H new ATOM 919 N THR A 72 2.490 14.448 -5.365 1.00 10.00 N ATOM 920 CA THR A 72 1.800 15.053 -4.237 1.00 10.00 C ATOM 921 C THR A 72 0.343 15.315 -4.620 1.00 10.00 C ATOM 922 O THR A 72 0.015 15.333 -5.810 1.00 10.00 O ATOM 923 CB THR A 72 2.467 16.382 -3.802 1.00 10.00 C ATOM 924 OG1 THR A 72 2.398 17.347 -4.859 1.00 10.00 O ATOM 925 CG2 THR A 72 3.921 16.166 -3.407 1.00 10.00 C ATOM 0 H THR A 72 2.355 14.938 -6.250 1.00 10.00 H new ATOM 0 HA THR A 72 1.854 14.361 -3.396 1.00 10.00 H new ATOM 0 HB THR A 72 1.922 16.755 -2.935 1.00 10.00 H new ATOM 0 HG1 THR A 72 2.822 18.181 -4.568 1.00 10.00 H new ATOM 0 HG21 THR A 72 4.362 17.117 -3.107 1.00 10.00 H new ATOM 0 HG22 THR A 72 3.972 15.464 -2.575 1.00 10.00 H new ATOM 0 HG23 THR A 72 4.473 15.763 -4.256 1.00 10.00 H new ATOM 933 N PRO A 73 -0.555 15.510 -3.636 1.00 10.00 N ATOM 934 CA PRO A 73 -1.970 15.779 -3.907 1.00 10.00 C ATOM 935 C PRO A 73 -2.141 17.006 -4.793 1.00 10.00 C ATOM 936 O PRO A 73 -2.992 17.036 -5.679 1.00 10.00 O ATOM 937 CB PRO A 73 -2.571 16.026 -2.520 1.00 10.00 C ATOM 938 CG PRO A 73 -1.640 15.355 -1.576 1.00 10.00 C ATOM 939 CD PRO A 73 -0.273 15.470 -2.191 1.00 10.00 C ATOM 0 HA PRO A 73 -2.452 14.959 -4.439 1.00 10.00 H new ATOM 0 HB2 PRO A 73 -2.649 17.092 -2.307 1.00 10.00 H new ATOM 0 HB3 PRO A 73 -3.576 15.612 -2.445 1.00 10.00 H new ATOM 0 HG2 PRO A 73 -1.668 15.831 -0.596 1.00 10.00 H new ATOM 0 HG3 PRO A 73 -1.916 14.311 -1.431 1.00 10.00 H new ATOM 0 HD2 PRO A 73 0.244 16.369 -1.857 1.00 10.00 H new ATOM 0 HD3 PRO A 73 0.359 14.622 -1.928 1.00 10.00 H new ATOM 947 N ALA A 74 -1.306 18.012 -4.560 1.00 10.00 N ATOM 948 CA ALA A 74 -1.351 19.238 -5.339 1.00 10.00 C ATOM 949 C ALA A 74 -0.796 19.006 -6.743 1.00 10.00 C ATOM 950 O ALA A 74 -1.289 19.571 -7.720 1.00 10.00 O ATOM 951 CB ALA A 74 -0.574 20.339 -4.632 1.00 10.00 C ATOM 0 H ALA A 74 -0.589 18.000 -3.835 1.00 10.00 H new ATOM 0 HA ALA A 74 -2.391 19.551 -5.433 1.00 10.00 H new ATOM 0 HB1 ALA A 74 -0.615 21.252 -5.226 1.00 10.00 H new ATOM 0 HB2 ALA A 74 -1.014 20.523 -3.652 1.00 10.00 H new ATOM 0 HB3 ALA A 74 0.465 20.031 -4.511 1.00 10.00 H new ATOM 957 N GLN A 75 0.226 18.159 -6.839 1.00 10.00 N ATOM 958 CA GLN A 75 0.855 17.854 -8.119 1.00 10.00 C ATOM 959 C GLN A 75 -0.120 17.135 -9.048 1.00 10.00 C ATOM 960 O GLN A 75 -0.141 17.382 -10.254 1.00 10.00 O ATOM 961 CB GLN A 75 2.106 16.996 -7.911 1.00 10.00 C ATOM 962 CG GLN A 75 2.998 16.903 -9.140 1.00 10.00 C ATOM 963 CD GLN A 75 3.285 18.259 -9.761 1.00 10.00 C ATOM 964 OE1 GLN A 75 4.206 18.962 -9.347 1.00 10.00 O ATOM 965 NE2 GLN A 75 2.500 18.629 -10.760 1.00 10.00 N ATOM 0 H GLN A 75 0.636 17.671 -6.043 1.00 10.00 H new ATOM 0 HA GLN A 75 1.145 18.797 -8.583 1.00 10.00 H new ATOM 0 HB2 GLN A 75 2.684 17.408 -7.084 1.00 10.00 H new ATOM 0 HB3 GLN A 75 1.802 15.991 -7.618 1.00 10.00 H new ATOM 0 HG2 GLN A 75 3.939 16.427 -8.865 1.00 10.00 H new ATOM 0 HG3 GLN A 75 2.522 16.262 -9.882 1.00 10.00 H new ATOM 0 HE21 GLN A 75 1.748 18.015 -11.072 1.00 10.00 H new ATOM 0 HE22 GLN A 75 2.647 19.528 -11.218 1.00 10.00 H new ATOM 974 N LEU A 76 -0.930 16.250 -8.484 1.00 10.00 N ATOM 975 CA LEU A 76 -1.901 15.500 -9.272 1.00 10.00 C ATOM 976 C LEU A 76 -3.251 16.212 -9.314 1.00 10.00 C ATOM 977 O LEU A 76 -4.208 15.704 -9.902 1.00 10.00 O ATOM 978 CB LEU A 76 -2.063 14.086 -8.709 1.00 10.00 C ATOM 979 CG LEU A 76 -0.842 13.179 -8.861 1.00 10.00 C ATOM 980 CD1 LEU A 76 -1.150 11.782 -8.354 1.00 10.00 C ATOM 981 CD2 LEU A 76 -0.390 13.125 -10.312 1.00 10.00 C ATOM 0 H LEU A 76 -0.935 16.033 -7.487 1.00 10.00 H new ATOM 0 HA LEU A 76 -1.525 15.434 -10.293 1.00 10.00 H new ATOM 0 HB2 LEU A 76 -2.310 14.160 -7.650 1.00 10.00 H new ATOM 0 HB3 LEU A 76 -2.911 13.611 -9.202 1.00 10.00 H new ATOM 0 HG LEU A 76 -0.032 13.596 -8.262 1.00 10.00 H new ATOM 0 HD11 LEU A 76 -0.269 11.150 -8.470 1.00 10.00 H new ATOM 0 HD12 LEU A 76 -1.426 11.830 -7.301 1.00 10.00 H new ATOM 0 HD13 LEU A 76 -1.976 11.361 -8.927 1.00 10.00 H new ATOM 0 HD21 LEU A 76 0.480 12.474 -10.398 1.00 10.00 H new ATOM 0 HD22 LEU A 76 -1.198 12.734 -10.930 1.00 10.00 H new ATOM 0 HD23 LEU A 76 -0.128 14.128 -10.649 1.00 10.00 H new ATOM 993 N GLU A 77 -3.310 17.393 -8.691 1.00 10.00 N ATOM 994 CA GLU A 77 -4.531 18.204 -8.644 1.00 10.00 C ATOM 995 C GLU A 77 -5.684 17.433 -8.006 1.00 10.00 C ATOM 996 O GLU A 77 -6.816 17.452 -8.499 1.00 10.00 O ATOM 997 CB GLU A 77 -4.927 18.661 -10.049 1.00 10.00 C ATOM 998 CG GLU A 77 -3.828 19.395 -10.793 1.00 10.00 C ATOM 999 CD GLU A 77 -4.171 19.599 -12.249 1.00 10.00 C ATOM 1000 OE1 GLU A 77 -3.997 18.650 -13.041 1.00 10.00 O ATOM 1001 OE2 GLU A 77 -4.631 20.701 -12.609 1.00 10.00 O ATOM 0 H GLU A 77 -2.516 17.813 -8.207 1.00 10.00 H new ATOM 0 HA GLU A 77 -4.322 19.080 -8.030 1.00 10.00 H new ATOM 0 HB2 GLU A 77 -5.227 17.790 -10.632 1.00 10.00 H new ATOM 0 HB3 GLU A 77 -5.799 19.311 -9.976 1.00 10.00 H new ATOM 0 HG2 GLU A 77 -3.655 20.363 -10.322 1.00 10.00 H new ATOM 0 HG3 GLU A 77 -2.898 18.832 -10.715 1.00 10.00 H new ATOM 1008 N MET A 78 -5.390 16.763 -6.904 1.00 10.00 N ATOM 1009 CA MET A 78 -6.388 15.985 -6.187 1.00 10.00 C ATOM 1010 C MET A 78 -7.211 16.896 -5.292 1.00 10.00 C ATOM 1011 O MET A 78 -6.716 17.919 -4.816 1.00 10.00 O ATOM 1012 CB MET A 78 -5.716 14.905 -5.338 1.00 10.00 C ATOM 1013 CG MET A 78 -4.744 14.033 -6.115 1.00 10.00 C ATOM 1014 SD MET A 78 -3.816 12.910 -5.052 1.00 10.00 S ATOM 1015 CE MET A 78 -5.126 11.830 -4.483 1.00 10.00 C ATOM 0 H MET A 78 -4.461 16.742 -6.484 1.00 10.00 H new ATOM 0 HA MET A 78 -7.041 15.506 -6.916 1.00 10.00 H new ATOM 0 HB2 MET A 78 -5.184 15.382 -4.514 1.00 10.00 H new ATOM 0 HB3 MET A 78 -6.485 14.272 -4.897 1.00 10.00 H new ATOM 0 HG2 MET A 78 -5.294 13.454 -6.856 1.00 10.00 H new ATOM 0 HG3 MET A 78 -4.047 14.669 -6.661 1.00 10.00 H new ATOM 0 HE1 MET A 78 -4.794 10.793 -4.542 1.00 10.00 H new ATOM 0 HE2 MET A 78 -5.375 12.073 -3.450 1.00 10.00 H new ATOM 0 HE3 MET A 78 -6.007 11.965 -5.110 1.00 10.00 H new ATOM 1025 N GLU A 79 -8.461 16.530 -5.065 1.00 10.00 N ATOM 1026 CA GLU A 79 -9.335 17.326 -4.223 1.00 10.00 C ATOM 1027 C GLU A 79 -9.887 16.491 -3.083 1.00 10.00 C ATOM 1028 O GLU A 79 -9.576 15.305 -2.964 1.00 10.00 O ATOM 1029 CB GLU A 79 -10.485 17.924 -5.035 1.00 10.00 C ATOM 1030 CG GLU A 79 -10.217 19.343 -5.515 1.00 10.00 C ATOM 1031 CD GLU A 79 -9.616 20.229 -4.437 1.00 10.00 C ATOM 1032 OE1 GLU A 79 -9.995 20.092 -3.254 1.00 10.00 O ATOM 1033 OE2 GLU A 79 -8.753 21.067 -4.772 1.00 10.00 O ATOM 0 H GLU A 79 -8.892 15.690 -5.451 1.00 10.00 H new ATOM 0 HA GLU A 79 -8.743 18.142 -3.808 1.00 10.00 H new ATOM 0 HB2 GLU A 79 -10.679 17.288 -5.898 1.00 10.00 H new ATOM 0 HB3 GLU A 79 -11.389 17.920 -4.427 1.00 10.00 H new ATOM 0 HG2 GLU A 79 -9.541 19.310 -6.370 1.00 10.00 H new ATOM 0 HG3 GLU A 79 -11.150 19.786 -5.863 1.00 10.00 H new ATOM 1040 N ASP A 80 -10.692 17.119 -2.242 1.00 10.00 N ATOM 1041 CA ASP A 80 -11.295 16.437 -1.107 1.00 10.00 C ATOM 1042 C ASP A 80 -12.272 15.377 -1.592 1.00 10.00 C ATOM 1043 O ASP A 80 -12.949 15.572 -2.605 1.00 10.00 O ATOM 1044 CB ASP A 80 -12.015 17.442 -0.203 1.00 10.00 C ATOM 1045 CG ASP A 80 -12.014 17.018 1.251 1.00 10.00 C ATOM 1046 OD1 ASP A 80 -13.089 16.672 1.778 1.00 10.00 O ATOM 1047 OD2 ASP A 80 -10.938 17.047 1.880 1.00 10.00 O ATOM 0 H ASP A 80 -10.944 18.104 -2.324 1.00 10.00 H new ATOM 0 HA ASP A 80 -10.506 15.953 -0.532 1.00 10.00 H new ATOM 0 HB2 ASP A 80 -11.535 18.417 -0.294 1.00 10.00 H new ATOM 0 HB3 ASP A 80 -13.044 17.560 -0.543 1.00 10.00 H new ATOM 1052 N GLU A 81 -12.317 14.259 -0.874 1.00 10.00 N ATOM 1053 CA GLU A 81 -13.203 13.146 -1.207 1.00 10.00 C ATOM 1054 C GLU A 81 -12.767 12.452 -2.496 1.00 10.00 C ATOM 1055 O GLU A 81 -13.598 12.010 -3.293 1.00 10.00 O ATOM 1056 CB GLU A 81 -14.651 13.625 -1.322 1.00 10.00 C ATOM 1057 CG GLU A 81 -15.360 13.753 0.012 1.00 10.00 C ATOM 1058 CD GLU A 81 -16.376 12.653 0.216 1.00 10.00 C ATOM 1059 OE1 GLU A 81 -17.489 12.767 -0.337 1.00 10.00 O ATOM 1060 OE2 GLU A 81 -16.064 11.664 0.911 1.00 10.00 O ATOM 0 H GLU A 81 -11.742 14.098 -0.047 1.00 10.00 H new ATOM 0 HA GLU A 81 -13.139 12.419 -0.397 1.00 10.00 H new ATOM 0 HB2 GLU A 81 -14.665 14.592 -1.825 1.00 10.00 H new ATOM 0 HB3 GLU A 81 -15.205 12.930 -1.952 1.00 10.00 H new ATOM 0 HG2 GLU A 81 -14.626 13.724 0.818 1.00 10.00 H new ATOM 0 HG3 GLU A 81 -15.857 14.722 0.068 1.00 10.00 H new ATOM 1067 N ASP A 82 -11.457 12.358 -2.692 1.00 10.00 N ATOM 1068 CA ASP A 82 -10.911 11.698 -3.874 1.00 10.00 C ATOM 1069 C ASP A 82 -10.694 10.216 -3.569 1.00 10.00 C ATOM 1070 O ASP A 82 -10.964 9.769 -2.451 1.00 10.00 O ATOM 1071 CB ASP A 82 -9.599 12.355 -4.309 1.00 10.00 C ATOM 1072 CG ASP A 82 -9.407 12.312 -5.813 1.00 10.00 C ATOM 1073 OD1 ASP A 82 -9.281 11.201 -6.367 1.00 10.00 O ATOM 1074 OD2 ASP A 82 -9.405 13.387 -6.450 1.00 10.00 O ATOM 0 H ASP A 82 -10.755 12.728 -2.051 1.00 10.00 H new ATOM 0 HA ASP A 82 -11.620 11.798 -4.696 1.00 10.00 H new ATOM 0 HB2 ASP A 82 -9.585 13.392 -3.972 1.00 10.00 H new ATOM 0 HB3 ASP A 82 -8.764 11.851 -3.823 1.00 10.00 H new ATOM 1079 N THR A 83 -10.204 9.455 -4.539 1.00 10.00 N ATOM 1080 CA THR A 83 -9.989 8.028 -4.340 1.00 10.00 C ATOM 1081 C THR A 83 -8.765 7.527 -5.103 1.00 10.00 C ATOM 1082 O THR A 83 -8.514 7.933 -6.237 1.00 10.00 O ATOM 1083 CB THR A 83 -11.240 7.227 -4.763 1.00 10.00 C ATOM 1084 OG1 THR A 83 -12.386 7.749 -4.076 1.00 10.00 O ATOM 1085 CG2 THR A 83 -11.093 5.744 -4.441 1.00 10.00 C ATOM 0 H THR A 83 -9.950 9.799 -5.465 1.00 10.00 H new ATOM 0 HA THR A 83 -9.807 7.873 -3.277 1.00 10.00 H new ATOM 0 HB THR A 83 -11.360 7.328 -5.842 1.00 10.00 H new ATOM 0 HG1 THR A 83 -13.184 7.246 -4.341 1.00 10.00 H new ATOM 0 HG21 THR A 83 -11.992 5.213 -4.753 1.00 10.00 H new ATOM 0 HG22 THR A 83 -10.231 5.340 -4.972 1.00 10.00 H new ATOM 0 HG23 THR A 83 -10.951 5.617 -3.368 1.00 10.00 H new ATOM 1093 N ILE A 84 -7.996 6.658 -4.458 1.00 10.00 N ATOM 1094 CA ILE A 84 -6.804 6.082 -5.061 1.00 10.00 C ATOM 1095 C ILE A 84 -6.979 4.577 -5.229 1.00 10.00 C ATOM 1096 O ILE A 84 -7.471 3.897 -4.323 1.00 10.00 O ATOM 1097 CB ILE A 84 -5.547 6.359 -4.208 1.00 10.00 C ATOM 1098 CG1 ILE A 84 -5.419 7.859 -3.930 1.00 10.00 C ATOM 1099 CG2 ILE A 84 -4.296 5.836 -4.908 1.00 10.00 C ATOM 1100 CD1 ILE A 84 -4.276 8.213 -3.004 1.00 10.00 C ATOM 0 H ILE A 84 -8.181 6.335 -3.508 1.00 10.00 H new ATOM 0 HA ILE A 84 -6.667 6.551 -6.036 1.00 10.00 H new ATOM 0 HB ILE A 84 -5.649 5.835 -3.258 1.00 10.00 H new ATOM 0 HG12 ILE A 84 -5.284 8.384 -4.876 1.00 10.00 H new ATOM 0 HG13 ILE A 84 -6.351 8.219 -3.495 1.00 10.00 H new ATOM 0 HG21 ILE A 84 -3.421 6.041 -4.291 1.00 10.00 H new ATOM 0 HG22 ILE A 84 -4.388 4.761 -5.062 1.00 10.00 H new ATOM 0 HG23 ILE A 84 -4.184 6.332 -5.872 1.00 10.00 H new ATOM 0 HD11 ILE A 84 -4.250 9.292 -2.855 1.00 10.00 H new ATOM 0 HD12 ILE A 84 -4.419 7.717 -2.044 1.00 10.00 H new ATOM 0 HD13 ILE A 84 -3.335 7.885 -3.445 1.00 10.00 H new ATOM 1112 N ASP A 85 -6.582 4.066 -6.387 1.00 10.00 N ATOM 1113 CA ASP A 85 -6.705 2.646 -6.690 1.00 10.00 C ATOM 1114 C ASP A 85 -5.475 1.878 -6.226 1.00 10.00 C ATOM 1115 O ASP A 85 -4.345 2.336 -6.402 1.00 10.00 O ATOM 1116 CB ASP A 85 -6.888 2.435 -8.195 1.00 10.00 C ATOM 1117 CG ASP A 85 -8.139 3.091 -8.740 1.00 10.00 C ATOM 1118 OD1 ASP A 85 -9.208 2.450 -8.715 1.00 10.00 O ATOM 1119 OD2 ASP A 85 -8.057 4.250 -9.201 1.00 10.00 O ATOM 0 H ASP A 85 -6.169 4.619 -7.138 1.00 10.00 H new ATOM 0 HA ASP A 85 -7.579 2.270 -6.158 1.00 10.00 H new ATOM 0 HB2 ASP A 85 -6.019 2.832 -8.720 1.00 10.00 H new ATOM 0 HB3 ASP A 85 -6.925 1.366 -8.404 1.00 10.00 H new ATOM 1124 N VAL A 86 -5.701 0.715 -5.629 1.00 10.00 N ATOM 1125 CA VAL A 86 -4.613 -0.130 -5.152 1.00 10.00 C ATOM 1126 C VAL A 86 -4.683 -1.502 -5.817 1.00 10.00 C ATOM 1127 O VAL A 86 -5.718 -2.173 -5.768 1.00 10.00 O ATOM 1128 CB VAL A 86 -4.657 -0.319 -3.619 1.00 10.00 C ATOM 1129 CG1 VAL A 86 -3.417 -1.058 -3.135 1.00 10.00 C ATOM 1130 CG2 VAL A 86 -4.795 1.019 -2.910 1.00 10.00 C ATOM 0 H VAL A 86 -6.632 0.334 -5.463 1.00 10.00 H new ATOM 0 HA VAL A 86 -3.681 0.372 -5.412 1.00 10.00 H new ATOM 0 HB VAL A 86 -5.533 -0.921 -3.377 1.00 10.00 H new ATOM 0 HG11 VAL A 86 -3.466 -1.182 -2.053 1.00 10.00 H new ATOM 0 HG12 VAL A 86 -3.369 -2.038 -3.610 1.00 10.00 H new ATOM 0 HG13 VAL A 86 -2.527 -0.485 -3.395 1.00 10.00 H new ATOM 0 HG21 VAL A 86 -4.824 0.858 -1.832 1.00 10.00 H new ATOM 0 HG22 VAL A 86 -3.944 1.653 -3.160 1.00 10.00 H new ATOM 0 HG23 VAL A 86 -5.716 1.506 -3.229 1.00 10.00 H new ATOM 1140 N PHE A 87 -3.593 -1.911 -6.446 1.00 10.00 N ATOM 1141 CA PHE A 87 -3.538 -3.202 -7.116 1.00 10.00 C ATOM 1142 C PHE A 87 -2.341 -4.003 -6.622 1.00 10.00 C ATOM 1143 O PHE A 87 -1.363 -3.430 -6.144 1.00 10.00 O ATOM 1144 CB PHE A 87 -3.459 -3.014 -8.636 1.00 10.00 C ATOM 1145 CG PHE A 87 -4.623 -2.248 -9.207 1.00 10.00 C ATOM 1146 CD1 PHE A 87 -5.872 -2.838 -9.311 1.00 10.00 C ATOM 1147 CD2 PHE A 87 -4.468 -0.939 -9.635 1.00 10.00 C ATOM 1148 CE1 PHE A 87 -6.945 -2.136 -9.832 1.00 10.00 C ATOM 1149 CE2 PHE A 87 -5.536 -0.233 -10.158 1.00 10.00 C ATOM 1150 CZ PHE A 87 -6.776 -0.833 -10.256 1.00 10.00 C ATOM 0 H PHE A 87 -2.732 -1.367 -6.507 1.00 10.00 H new ATOM 0 HA PHE A 87 -4.449 -3.753 -6.881 1.00 10.00 H new ATOM 0 HB2 PHE A 87 -2.535 -2.492 -8.882 1.00 10.00 H new ATOM 0 HB3 PHE A 87 -3.409 -3.993 -9.113 1.00 10.00 H new ATOM 0 HD1 PHE A 87 -6.010 -3.857 -8.982 1.00 10.00 H new ATOM 0 HD2 PHE A 87 -3.501 -0.464 -9.559 1.00 10.00 H new ATOM 0 HE1 PHE A 87 -7.914 -2.607 -9.907 1.00 10.00 H new ATOM 0 HE2 PHE A 87 -5.401 0.786 -10.489 1.00 10.00 H new ATOM 0 HZ PHE A 87 -7.612 -0.284 -10.664 1.00 10.00 H new ATOM 1160 N GLN A 88 -2.424 -5.321 -6.726 1.00 10.00 N ATOM 1161 CA GLN A 88 -1.338 -6.190 -6.295 1.00 10.00 C ATOM 1162 C GLN A 88 -0.468 -6.580 -7.482 1.00 10.00 C ATOM 1163 O GLN A 88 -0.978 -6.864 -8.570 1.00 10.00 O ATOM 1164 CB GLN A 88 -1.883 -7.450 -5.616 1.00 10.00 C ATOM 1165 CG GLN A 88 -2.593 -7.182 -4.295 1.00 10.00 C ATOM 1166 CD GLN A 88 -2.819 -8.446 -3.487 1.00 10.00 C ATOM 1167 OE1 GLN A 88 -2.039 -9.397 -3.559 1.00 10.00 O ATOM 1168 NE2 GLN A 88 -3.885 -8.465 -2.703 1.00 10.00 N ATOM 0 H GLN A 88 -3.233 -5.813 -7.105 1.00 10.00 H new ATOM 0 HA GLN A 88 -0.733 -5.640 -5.574 1.00 10.00 H new ATOM 0 HB2 GLN A 88 -2.576 -7.946 -6.295 1.00 10.00 H new ATOM 0 HB3 GLN A 88 -1.059 -8.141 -5.440 1.00 10.00 H new ATOM 0 HG2 GLN A 88 -2.004 -6.479 -3.706 1.00 10.00 H new ATOM 0 HG3 GLN A 88 -3.553 -6.705 -4.493 1.00 10.00 H new ATOM 0 HE21 GLN A 88 -4.508 -7.658 -2.670 1.00 10.00 H new ATOM 0 HE22 GLN A 88 -4.083 -9.286 -2.132 1.00 10.00 H new ATOM 1177 N GLN A 89 0.842 -6.585 -7.267 1.00 10.00 N ATOM 1178 CA GLN A 89 1.793 -6.942 -8.311 1.00 10.00 C ATOM 1179 C GLN A 89 1.693 -8.433 -8.623 1.00 10.00 C ATOM 1180 O GLN A 89 1.528 -9.255 -7.715 1.00 10.00 O ATOM 1181 CB GLN A 89 3.220 -6.580 -7.876 1.00 10.00 C ATOM 1182 CG GLN A 89 4.271 -6.814 -8.951 1.00 10.00 C ATOM 1183 CD GLN A 89 4.109 -5.889 -10.143 1.00 10.00 C ATOM 1184 OE1 GLN A 89 3.641 -4.759 -10.015 1.00 10.00 O ATOM 1185 NE2 GLN A 89 4.502 -6.369 -11.308 1.00 10.00 N ATOM 0 H GLN A 89 1.271 -6.344 -6.374 1.00 10.00 H new ATOM 0 HA GLN A 89 1.553 -6.380 -9.213 1.00 10.00 H new ATOM 0 HB2 GLN A 89 3.244 -5.531 -7.581 1.00 10.00 H new ATOM 0 HB3 GLN A 89 3.480 -7.166 -6.994 1.00 10.00 H new ATOM 0 HG2 GLN A 89 5.262 -6.674 -8.520 1.00 10.00 H new ATOM 0 HG3 GLN A 89 4.214 -7.849 -9.289 1.00 10.00 H new ATOM 0 HE21 GLN A 89 4.885 -7.313 -11.368 1.00 10.00 H new ATOM 0 HE22 GLN A 89 4.423 -5.796 -12.148 1.00 10.00 H new ATOM 1194 N GLN A 90 1.783 -8.769 -9.905 1.00 10.00 N ATOM 1195 CA GLN A 90 1.698 -10.153 -10.354 1.00 10.00 C ATOM 1196 C GLN A 90 2.770 -11.011 -9.691 1.00 10.00 C ATOM 1197 O GLN A 90 3.914 -10.580 -9.523 1.00 10.00 O ATOM 1198 CB GLN A 90 1.836 -10.232 -11.877 1.00 10.00 C ATOM 1199 CG GLN A 90 0.633 -9.687 -12.633 1.00 10.00 C ATOM 1200 CD GLN A 90 0.564 -8.172 -12.624 1.00 10.00 C ATOM 1201 OE1 GLN A 90 1.585 -7.488 -12.523 1.00 10.00 O ATOM 1202 NE2 GLN A 90 -0.639 -7.638 -12.722 1.00 10.00 N ATOM 0 H GLN A 90 1.916 -8.094 -10.658 1.00 10.00 H new ATOM 0 HA GLN A 90 0.720 -10.538 -10.065 1.00 10.00 H new ATOM 0 HB2 GLN A 90 2.725 -9.679 -12.181 1.00 10.00 H new ATOM 0 HB3 GLN A 90 1.993 -11.272 -12.165 1.00 10.00 H new ATOM 0 HG2 GLN A 90 0.670 -10.037 -13.664 1.00 10.00 H new ATOM 0 HG3 GLN A 90 -0.279 -10.089 -12.192 1.00 10.00 H new ATOM 0 HE21 GLN A 90 -1.459 -8.239 -12.804 1.00 10.00 H new ATOM 0 HE22 GLN A 90 -0.749 -6.624 -12.716 1.00 10.00 H new ATOM 1211 N THR A 91 2.387 -12.217 -9.312 1.00 10.00 N ATOM 1212 CA THR A 91 3.294 -13.148 -8.662 1.00 10.00 C ATOM 1213 C THR A 91 4.174 -13.866 -9.681 1.00 10.00 C ATOM 1214 O THR A 91 5.320 -14.217 -9.395 1.00 10.00 O ATOM 1215 CB THR A 91 2.497 -14.187 -7.862 1.00 10.00 C ATOM 1216 OG1 THR A 91 1.252 -14.453 -8.530 1.00 10.00 O ATOM 1217 CG2 THR A 91 2.228 -13.697 -6.445 1.00 10.00 C ATOM 0 H THR A 91 1.442 -12.578 -9.445 1.00 10.00 H new ATOM 0 HA THR A 91 3.934 -12.575 -7.991 1.00 10.00 H new ATOM 0 HB THR A 91 3.085 -15.102 -7.799 1.00 10.00 H new ATOM 0 HG1 THR A 91 0.743 -15.118 -8.021 1.00 10.00 H new ATOM 0 HG21 THR A 91 1.662 -14.452 -5.900 1.00 10.00 H new ATOM 0 HG22 THR A 91 3.175 -13.517 -5.936 1.00 10.00 H new ATOM 0 HG23 THR A 91 1.654 -12.771 -6.483 1.00 10.00 H new ATOM 1225 N GLY A 92 3.625 -14.077 -10.868 1.00 10.00 N ATOM 1226 CA GLY A 92 4.350 -14.751 -11.923 1.00 10.00 C ATOM 1227 C GLY A 92 3.482 -14.961 -13.139 1.00 10.00 C ATOM 1228 O GLY A 92 2.248 -15.058 -12.979 1.00 10.00 O ATOM 0 H GLY A 92 2.679 -13.789 -11.120 1.00 10.00 H new ATOM 0 HA2 GLY A 92 5.227 -14.164 -12.197 1.00 10.00 H new ATOM 0 HA3 GLY A 92 4.711 -15.714 -11.561 1.00 10.00 H new TER 1232 GLY A 92 ATOM 1233 N ASN B 357 -19.633 -3.458 6.614 1.00 10.00 N ATOM 1234 CA ASN B 357 -18.816 -2.232 6.498 1.00 10.00 C ATOM 1235 C ASN B 357 -17.448 -2.452 7.119 1.00 10.00 C ATOM 1236 O ASN B 357 -17.346 -2.847 8.280 1.00 10.00 O ATOM 1237 CB ASN B 357 -19.510 -1.049 7.197 1.00 10.00 C ATOM 1238 CG ASN B 357 -18.673 0.221 7.168 1.00 10.00 C ATOM 1239 OD1 ASN B 357 -17.813 0.432 8.019 1.00 10.00 O ATOM 1240 ND2 ASN B 357 -18.938 1.088 6.203 1.00 10.00 N ATOM 0 HA ASN B 357 -18.701 -2.000 5.439 1.00 10.00 H new ATOM 0 HB2 ASN B 357 -20.469 -0.859 6.715 1.00 10.00 H new ATOM 0 HB3 ASN B 357 -19.721 -1.317 8.232 1.00 10.00 H new ATOM 0 HD21 ASN B 357 -18.420 1.965 6.149 1.00 10.00 H new ATOM 0 HD22 ASN B 357 -19.660 0.879 5.513 1.00 10.00 H new ATOM 1247 N ASN B 358 -16.395 -2.235 6.339 1.00 10.00 N ATOM 1248 CA ASN B 358 -15.045 -2.385 6.860 1.00 10.00 C ATOM 1249 C ASN B 358 -14.334 -1.050 6.716 1.00 10.00 C ATOM 1250 O ASN B 358 -14.202 -0.515 5.612 1.00 10.00 O ATOM 1251 CB ASN B 358 -14.315 -3.509 6.098 1.00 10.00 C ATOM 1252 CG ASN B 358 -12.899 -3.753 6.587 1.00 10.00 C ATOM 1253 OD1 ASN B 358 -12.554 -3.429 7.720 1.00 10.00 O ATOM 1254 ND2 ASN B 358 -12.074 -4.344 5.732 1.00 10.00 N ATOM 0 H ASN B 358 -16.449 -1.959 5.359 1.00 10.00 H new ATOM 0 HA ASN B 358 -15.060 -2.666 7.913 1.00 10.00 H new ATOM 0 HB2 ASN B 358 -14.887 -4.432 6.192 1.00 10.00 H new ATOM 0 HB3 ASN B 358 -14.286 -3.259 5.038 1.00 10.00 H new ATOM 0 HD21 ASN B 358 -11.113 -4.545 6.007 1.00 10.00 H new ATOM 0 HD22 ASN B 358 -12.401 -4.597 4.800 1.00 10.00 H new ATOM 1261 N ARG B 359 -13.889 -0.508 7.839 1.00 10.00 N ATOM 1262 CA ARG B 359 -13.209 0.779 7.848 1.00 10.00 C ATOM 1263 C ARG B 359 -11.869 0.718 8.568 1.00 10.00 C ATOM 1264 O ARG B 359 -11.767 0.193 9.678 1.00 10.00 O ATOM 1265 CB ARG B 359 -14.104 1.845 8.485 1.00 10.00 C ATOM 1266 CG ARG B 359 -14.458 1.534 9.924 1.00 10.00 C ATOM 1267 CD ARG B 359 -15.818 2.077 10.295 1.00 10.00 C ATOM 1268 NE ARG B 359 -16.233 1.629 11.618 1.00 10.00 N ATOM 1269 CZ ARG B 359 -16.844 2.407 12.506 1.00 10.00 C ATOM 1270 NH1 ARG B 359 -17.151 3.659 12.188 1.00 10.00 N ATOM 1271 NH2 ARG B 359 -17.159 1.923 13.704 1.00 10.00 N ATOM 0 H ARG B 359 -13.987 -0.940 8.758 1.00 10.00 H new ATOM 0 HA ARG B 359 -13.007 1.047 6.811 1.00 10.00 H new ATOM 0 HB2 ARG B 359 -13.599 2.810 8.441 1.00 10.00 H new ATOM 0 HB3 ARG B 359 -15.021 1.938 7.903 1.00 10.00 H new ATOM 0 HG2 ARG B 359 -14.443 0.455 10.077 1.00 10.00 H new ATOM 0 HG3 ARG B 359 -13.703 1.961 10.585 1.00 10.00 H new ATOM 0 HD2 ARG B 359 -15.794 3.166 10.270 1.00 10.00 H new ATOM 0 HD3 ARG B 359 -16.552 1.757 9.555 1.00 10.00 H new ATOM 0 HE ARG B 359 -16.043 0.661 11.878 1.00 10.00 H new ATOM 0 HH11 ARG B 359 -16.918 4.022 11.264 1.00 10.00 H new ATOM 0 HH12 ARG B 359 -17.620 4.258 12.868 1.00 10.00 H new ATOM 0 HH21 ARG B 359 -16.932 0.957 13.940 1.00 10.00 H new ATOM 0 HH22 ARG B 359 -17.628 2.518 14.387 1.00 10.00 H new ATOM 1285 N ASP B 360 -10.844 1.229 7.925 1.00 10.00 N ATOM 1286 CA ASP B 360 -9.526 1.288 8.519 1.00 10.00 C ATOM 1287 C ASP B 360 -9.087 2.747 8.550 1.00 10.00 C ATOM 1288 O ASP B 360 -9.245 3.451 7.557 1.00 10.00 O ATOM 1289 CB ASP B 360 -8.526 0.424 7.751 1.00 10.00 C ATOM 1290 CG ASP B 360 -7.274 0.160 8.559 1.00 10.00 C ATOM 1291 OD1 ASP B 360 -6.260 0.863 8.365 1.00 10.00 O ATOM 1292 OD2 ASP B 360 -7.301 -0.756 9.408 1.00 10.00 O ATOM 0 H ASP B 360 -10.898 1.613 6.982 1.00 10.00 H new ATOM 0 HA ASP B 360 -9.562 0.889 9.533 1.00 10.00 H new ATOM 0 HB2 ASP B 360 -8.994 -0.524 7.485 1.00 10.00 H new ATOM 0 HB3 ASP B 360 -8.259 0.920 6.818 1.00 10.00 H new ATOM 1297 N PRO B 361 -8.570 3.257 9.667 1.00 10.00 N ATOM 1298 CA PRO B 361 -8.164 4.644 9.741 1.00 10.00 C ATOM 1299 C PRO B 361 -6.652 4.825 9.797 1.00 10.00 C ATOM 1300 O PRO B 361 -5.956 4.245 10.637 1.00 10.00 O ATOM 1301 CB PRO B 361 -8.780 5.048 11.087 1.00 10.00 C ATOM 1302 CG PRO B 361 -8.855 3.773 11.899 1.00 10.00 C ATOM 1303 CD PRO B 361 -8.490 2.627 10.982 1.00 10.00 C ATOM 0 HA PRO B 361 -8.476 5.224 8.873 1.00 10.00 H new ATOM 0 HB2 PRO B 361 -8.168 5.797 11.589 1.00 10.00 H new ATOM 0 HB3 PRO B 361 -9.769 5.484 10.950 1.00 10.00 H new ATOM 0 HG2 PRO B 361 -8.172 3.818 12.747 1.00 10.00 H new ATOM 0 HG3 PRO B 361 -9.857 3.635 12.304 1.00 10.00 H new ATOM 0 HD2 PRO B 361 -7.492 2.240 11.189 1.00 10.00 H new ATOM 0 HD3 PRO B 361 -9.183 1.791 11.077 1.00 10.00 H new ATOM 1311 N ILE B 362 -6.157 5.651 8.886 1.00 10.00 N ATOM 1312 CA ILE B 362 -4.738 5.929 8.783 1.00 10.00 C ATOM 1313 C ILE B 362 -4.464 7.418 8.932 1.00 10.00 C ATOM 1314 O ILE B 362 -5.112 8.251 8.296 1.00 10.00 O ATOM 1315 CB ILE B 362 -4.155 5.426 7.443 1.00 10.00 C ATOM 1316 CG1 ILE B 362 -4.636 3.993 7.158 1.00 10.00 C ATOM 1317 CG2 ILE B 362 -2.628 5.488 7.465 1.00 10.00 C ATOM 1318 CD1 ILE B 362 -3.962 3.341 5.971 1.00 10.00 C ATOM 0 H ILE B 362 -6.729 6.144 8.201 1.00 10.00 H new ATOM 0 HA ILE B 362 -4.248 5.392 9.595 1.00 10.00 H new ATOM 0 HB ILE B 362 -4.510 6.076 6.643 1.00 10.00 H new ATOM 0 HG12 ILE B 362 -4.463 3.380 8.043 1.00 10.00 H new ATOM 0 HG13 ILE B 362 -5.712 4.009 6.987 1.00 10.00 H new ATOM 0 HG21 ILE B 362 -2.236 5.130 6.513 1.00 10.00 H new ATOM 0 HG22 ILE B 362 -2.308 6.518 7.625 1.00 10.00 H new ATOM 0 HG23 ILE B 362 -2.250 4.861 8.272 1.00 10.00 H new ATOM 0 HD11 ILE B 362 -4.356 2.334 5.837 1.00 10.00 H new ATOM 0 HD12 ILE B 362 -4.156 3.929 5.074 1.00 10.00 H new ATOM 0 HD13 ILE B 362 -2.887 3.290 6.146 1.00 10.00 H new ATOM 1330 N VAL B 363 -3.489 7.739 9.752 1.00 10.00 N ATOM 1331 CA VAL B 363 -3.113 9.115 9.999 1.00 10.00 C ATOM 1332 C VAL B 363 -1.698 9.334 9.492 1.00 10.00 C ATOM 1333 O VAL B 363 -0.822 8.487 9.667 1.00 10.00 O ATOM 1334 CB VAL B 363 -3.202 9.497 11.491 1.00 10.00 C ATOM 1335 CG1 VAL B 363 -3.117 11.009 11.664 1.00 10.00 C ATOM 1336 CG2 VAL B 363 -4.479 8.950 12.114 1.00 10.00 C ATOM 0 H VAL B 363 -2.934 7.055 10.267 1.00 10.00 H new ATOM 0 HA VAL B 363 -3.817 9.756 9.468 1.00 10.00 H new ATOM 0 HB VAL B 363 -2.355 9.047 12.010 1.00 10.00 H new ATOM 0 HG11 VAL B 363 -3.182 11.258 12.723 1.00 10.00 H new ATOM 0 HG12 VAL B 363 -2.169 11.368 11.264 1.00 10.00 H new ATOM 0 HG13 VAL B 363 -3.940 11.483 11.129 1.00 10.00 H new ATOM 0 HG21 VAL B 363 -4.520 9.232 13.166 1.00 10.00 H new ATOM 0 HG22 VAL B 363 -5.343 9.363 11.594 1.00 10.00 H new ATOM 0 HG23 VAL B 363 -4.489 7.863 12.029 1.00 10.00 H new ATOM 1346 N ILE B 364 -1.491 10.457 8.837 1.00 10.00 N ATOM 1347 CA ILE B 364 -0.204 10.774 8.249 1.00 10.00 C ATOM 1348 C ILE B 364 0.454 11.918 8.984 1.00 10.00 C ATOM 1349 O ILE B 364 -0.208 12.837 9.473 1.00 10.00 O ATOM 1350 CB ILE B 364 -0.301 11.108 6.738 1.00 10.00 C ATOM 1351 CG1 ILE B 364 0.849 10.451 5.964 1.00 10.00 C ATOM 1352 CG2 ILE B 364 -0.282 12.612 6.505 1.00 10.00 C ATOM 1353 CD1 ILE B 364 1.156 9.039 6.420 1.00 10.00 C ATOM 0 H ILE B 364 -2.204 11.173 8.697 1.00 10.00 H new ATOM 0 HA ILE B 364 0.408 9.877 8.347 1.00 10.00 H new ATOM 0 HB ILE B 364 -1.249 10.712 6.374 1.00 10.00 H new ATOM 0 HG12 ILE B 364 0.600 10.436 4.903 1.00 10.00 H new ATOM 0 HG13 ILE B 364 1.745 11.062 6.072 1.00 10.00 H new ATOM 0 HG21 ILE B 364 -0.351 12.816 5.436 1.00 10.00 H new ATOM 0 HG22 ILE B 364 -1.128 13.070 7.017 1.00 10.00 H new ATOM 0 HG23 ILE B 364 0.647 13.029 6.894 1.00 10.00 H new ATOM 0 HD11 ILE B 364 1.979 8.637 5.829 1.00 10.00 H new ATOM 0 HD12 ILE B 364 1.436 9.050 7.473 1.00 10.00 H new ATOM 0 HD13 ILE B 364 0.274 8.413 6.286 1.00 10.00 H new HETATM 1365 N SEP B 365 1.759 11.830 9.090 1.00 10.00 N HETATM 1366 CA SEP B 365 2.535 12.816 9.787 1.00 10.00 C HETATM 1367 CB SEP B 365 3.545 12.093 10.675 1.00 10.00 C HETATM 1368 OG SEP B 365 3.956 10.869 10.063 1.00 10.00 O HETATM 1369 C SEP B 365 3.262 13.659 8.761 1.00 10.00 C HETATM 1370 O SEP B 365 3.878 13.144 7.834 1.00 10.00 O HETATM 1371 P SEP B 365 5.491 10.412 10.098 1.00 10.00 P HETATM 1372 O1P SEP B 365 5.886 9.539 8.974 1.00 10.00 O HETATM 1373 O2P SEP B 365 5.936 9.914 11.411 1.00 10.00 O HETATM 1374 O3P SEP B 365 6.332 11.748 9.863 1.00 10.00 O HETATM 0 HB3 SEP B 365 4.412 12.731 10.846 1.00 10.00 H new HETATM 0 HB2 SEP B 365 3.102 11.889 11.650 1.00 10.00 H new HETATM 0 HA SEP B 365 1.900 13.454 10.402 1.00 10.00 H new HETATM 0 H SEP B 365 1.940 10.838 9.241 1.00 10.00 H new ATOM 1379 N ASP B 366 3.104 14.959 8.894 1.00 10.00 N ATOM 1380 CA ASP B 366 3.697 15.901 7.969 1.00 10.00 C ATOM 1381 C ASP B 366 4.589 16.884 8.698 1.00 10.00 C ATOM 1382 O ASP B 366 4.197 17.423 9.737 1.00 10.00 O ATOM 1383 CB ASP B 366 2.589 16.638 7.219 1.00 10.00 C ATOM 1384 CG ASP B 366 3.117 17.696 6.279 1.00 10.00 C ATOM 1385 OD1 ASP B 366 3.071 18.888 6.643 1.00 10.00 O ATOM 1386 OD2 ASP B 366 3.546 17.342 5.163 1.00 10.00 O ATOM 0 H ASP B 366 2.563 15.391 9.643 1.00 10.00 H new ATOM 0 HA ASP B 366 4.316 15.356 7.256 1.00 10.00 H new ATOM 0 HB2 ASP B 366 2.000 15.917 6.652 1.00 10.00 H new ATOM 0 HB3 ASP B 366 1.917 17.103 7.940 1.00 10.00 H new HETATM 1391 N SEP B 367 5.792 17.076 8.184 1.00 10.00 N HETATM 1392 CA SEP B 367 6.741 18.004 8.766 1.00 10.00 C HETATM 1393 CB SEP B 367 7.963 18.112 7.860 1.00 10.00 C HETATM 1394 OG SEP B 367 7.779 17.369 6.657 1.00 10.00 O HETATM 1395 C SEP B 367 6.093 19.378 8.950 1.00 10.00 C HETATM 1396 O SEP B 367 5.539 19.944 8.003 1.00 10.00 O HETATM 1397 P SEP B 367 8.389 15.897 6.509 1.00 10.00 P HETATM 1398 O1P SEP B 367 9.019 15.639 5.202 1.00 10.00 O HETATM 1399 O2P SEP B 367 9.207 15.459 7.654 1.00 10.00 O HETATM 1400 O3P SEP B 367 7.116 14.928 6.525 1.00 10.00 O HETATM 0 HB3 SEP B 367 8.149 19.159 7.619 1.00 10.00 H new HETATM 0 HB2 SEP B 367 8.844 17.744 8.387 1.00 10.00 H new HETATM 0 HA SEP B 367 7.051 17.637 9.745 1.00 10.00 H new HETATM 0 H SEP B 367 6.005 16.617 7.298 1.00 10.00 H new ATOM 1405 N PRO B 368 6.132 19.914 10.184 1.00 10.00 N ATOM 1406 CA PRO B 368 5.538 21.214 10.510 1.00 10.00 C ATOM 1407 C PRO B 368 5.924 22.301 9.515 1.00 10.00 C ATOM 1408 O PRO B 368 5.018 22.850 8.849 1.00 10.00 O ATOM 1409 CB PRO B 368 6.115 21.525 11.891 1.00 10.00 C ATOM 1410 CG PRO B 368 6.383 20.194 12.497 1.00 10.00 C ATOM 1411 CD PRO B 368 6.772 19.289 11.361 1.00 10.00 C ATOM 0 HA PRO B 368 4.449 21.182 10.481 1.00 10.00 H new ATOM 0 HB2 PRO B 368 7.027 22.116 11.815 1.00 10.00 H new ATOM 0 HB3 PRO B 368 5.412 22.100 12.494 1.00 10.00 H new ATOM 0 HG2 PRO B 368 7.181 20.256 13.237 1.00 10.00 H new ATOM 0 HG3 PRO B 368 5.500 19.815 13.012 1.00 10.00 H new ATOM 0 HD2 PRO B 368 7.854 19.232 11.246 1.00 10.00 H new ATOM 0 HD3 PRO B 368 6.415 18.271 11.519 1.00 10.00 H new TER 1419 PRO B 368