USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 623 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 65 THR OG1 : rot 180:sc= -1.53! USER MOD Set 1.2: A 71 THR OG1 : rot 36:sc= 1.49 USER MOD Set 2.1: A 50 MET CE :methyl 170:sc= -5.71! (180deg=-6.58!) USER MOD Set 2.2: A 54 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 35 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 23 SER OG : rot 78:sc= 0.302 USER MOD Set 4.2: A 24 GLN : amide:sc= 0.251 X(o=0.55,f=0.08) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 140:sc= 0.174 (180deg=-0.0048) USER MOD Single : A 3 ASN : amide:sc= -0.0327 K(o=-0.033,f=-0.94) USER MOD Single : A 5 TYR OH : rot 180:sc= -0.214 USER MOD Single : A 8 ASN :FLIP amide:sc= -1.83 F(o=-2.7,f=-1.8) USER MOD Single : A 11 TYR OH : rot 30:sc= 0 USER MOD Single : A 12 SER OG : rot 28:sc= 0.348 USER MOD Single : A 14 THR OG1 : rot -49:sc= -1.63 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.107 X(o=-0.11,f=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ -154:sc= 0 (180deg=-0.0123) USER MOD Single : A 30 ASN :FLIP amide:sc= -0.358 F(o=-1.1,f=-0.36) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot -140:sc= -0.643 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= -0.303 X(o=-0.3,f=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ -156:sc= -0.665 (180deg=-1.58!) USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 MET CE :methyl 160:sc= -0.0432 (180deg=-0.326) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.646 5.629 -14.922 1.00 0.00 N ATOM 2 CA MET A 1 2.036 4.424 -14.144 1.00 0.00 C ATOM 3 C MET A 1 3.165 4.739 -13.168 1.00 0.00 C ATOM 4 O MET A 1 4.339 4.727 -13.537 1.00 0.00 O ATOM 5 CB MET A 1 2.473 3.332 -15.121 1.00 0.00 C ATOM 6 CG MET A 1 1.336 2.783 -15.969 1.00 0.00 C ATOM 7 SD MET A 1 1.319 3.467 -17.636 1.00 0.00 S ATOM 8 CE MET A 1 2.270 2.233 -18.519 1.00 0.00 C ATOM 0 H1 MET A 1 1.459 5.359 -15.909 1.00 0.00 H new ATOM 0 H2 MET A 1 0.788 6.047 -14.508 1.00 0.00 H new ATOM 0 H3 MET A 1 2.418 6.325 -14.894 1.00 0.00 H new ATOM 0 HA MET A 1 1.181 4.085 -13.559 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.245 3.732 -15.778 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.925 2.514 -14.560 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.422 1.698 -16.027 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.386 3.002 -15.481 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.348 2.516 -19.569 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.268 2.165 -18.086 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.773 1.266 -18.440 1.00 0.00 H new ATOM 20 N ARG A 2 2.802 5.022 -11.922 1.00 0.00 N ATOM 21 CA ARG A 2 3.784 5.342 -10.892 1.00 0.00 C ATOM 22 C ARG A 2 3.728 4.327 -9.754 1.00 0.00 C ATOM 23 O ARG A 2 2.684 3.732 -9.491 1.00 0.00 O ATOM 24 CB ARG A 2 3.544 6.751 -10.346 1.00 0.00 C ATOM 25 CG ARG A 2 3.821 7.850 -11.358 1.00 0.00 C ATOM 26 CD ARG A 2 5.219 8.421 -11.191 1.00 0.00 C ATOM 27 NE ARG A 2 5.712 9.033 -12.423 1.00 0.00 N ATOM 28 CZ ARG A 2 6.181 8.341 -13.458 1.00 0.00 C ATOM 29 NH1 ARG A 2 6.224 7.015 -13.414 1.00 0.00 N ATOM 30 NH2 ARG A 2 6.609 8.976 -14.541 1.00 0.00 N ATOM 0 H ARG A 2 1.834 5.036 -11.600 1.00 0.00 H new ATOM 0 HA ARG A 2 4.774 5.300 -11.345 1.00 0.00 H new ATOM 0 HB2 ARG A 2 2.510 6.830 -10.010 1.00 0.00 H new ATOM 0 HB3 ARG A 2 4.176 6.906 -9.472 1.00 0.00 H new ATOM 0 HG2 ARG A 2 3.707 7.454 -12.367 1.00 0.00 H new ATOM 0 HG3 ARG A 2 3.085 8.646 -11.243 1.00 0.00 H new ATOM 0 HD2 ARG A 2 5.214 9.164 -10.394 1.00 0.00 H new ATOM 0 HD3 ARG A 2 5.900 7.628 -10.883 1.00 0.00 H new ATOM 0 HE ARG A 2 5.696 10.050 -12.494 1.00 0.00 H new ATOM 0 HH11 ARG A 2 5.896 6.521 -12.584 1.00 0.00 H new ATOM 0 HH12 ARG A 2 6.585 6.490 -14.211 1.00 0.00 H new ATOM 0 HH21 ARG A 2 6.579 9.995 -14.580 1.00 0.00 H new ATOM 0 HH22 ARG A 2 6.969 8.446 -15.335 1.00 0.00 H new ATOM 44 N ASN A 3 4.860 4.135 -9.084 1.00 0.00 N ATOM 45 CA ASN A 3 4.940 3.192 -7.974 1.00 0.00 C ATOM 46 C ASN A 3 4.602 3.876 -6.654 1.00 0.00 C ATOM 47 O ASN A 3 5.315 4.777 -6.209 1.00 0.00 O ATOM 48 CB ASN A 3 6.340 2.577 -7.900 1.00 0.00 C ATOM 49 CG ASN A 3 6.777 1.976 -9.222 1.00 0.00 C ATOM 50 OD1 ASN A 3 5.955 1.701 -10.095 1.00 0.00 O ATOM 51 ND2 ASN A 3 8.081 1.768 -9.373 1.00 0.00 N ATOM 0 H ASN A 3 5.734 4.619 -9.290 1.00 0.00 H new ATOM 0 HA ASN A 3 4.212 2.400 -8.149 1.00 0.00 H new ATOM 0 HB2 ASN A 3 7.055 3.342 -7.598 1.00 0.00 H new ATOM 0 HB3 ASN A 3 6.355 1.805 -7.130 1.00 0.00 H new ATOM 0 HD21 ASN A 3 8.436 1.365 -10.240 1.00 0.00 H new ATOM 0 HD22 ASN A 3 8.727 2.011 -8.622 1.00 0.00 H new ATOM 58 N ILE A 4 3.510 3.444 -6.031 1.00 0.00 N ATOM 59 CA ILE A 4 3.078 4.015 -4.761 1.00 0.00 C ATOM 60 C ILE A 4 3.747 3.310 -3.585 1.00 0.00 C ATOM 61 O ILE A 4 3.696 2.085 -3.471 1.00 0.00 O ATOM 62 CB ILE A 4 1.547 3.928 -4.594 1.00 0.00 C ATOM 63 CG1 ILE A 4 0.842 4.484 -5.833 1.00 0.00 C ATOM 64 CG2 ILE A 4 1.105 4.679 -3.347 1.00 0.00 C ATOM 65 CD1 ILE A 4 -0.511 3.857 -6.091 1.00 0.00 C ATOM 0 H ILE A 4 2.908 2.700 -6.385 1.00 0.00 H new ATOM 0 HA ILE A 4 3.375 5.064 -4.770 1.00 0.00 H new ATOM 0 HB ILE A 4 1.270 2.880 -4.481 1.00 0.00 H new ATOM 0 HG12 ILE A 4 0.718 5.561 -5.718 1.00 0.00 H new ATOM 0 HG13 ILE A 4 1.478 4.327 -6.704 1.00 0.00 H new ATOM 0 HG21 ILE A 4 0.022 4.608 -3.244 1.00 0.00 H new ATOM 0 HG22 ILE A 4 1.583 4.241 -2.470 1.00 0.00 H new ATOM 0 HG23 ILE A 4 1.393 5.727 -3.432 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -0.952 4.299 -6.984 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -0.392 2.783 -6.238 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -1.164 4.036 -5.237 1.00 0.00 H new ATOM 77 N TYR A 5 4.373 4.092 -2.713 1.00 0.00 N ATOM 78 CA TYR A 5 5.053 3.546 -1.543 1.00 0.00 C ATOM 79 C TYR A 5 4.183 3.682 -0.297 1.00 0.00 C ATOM 80 O TYR A 5 3.769 4.783 0.065 1.00 0.00 O ATOM 81 CB TYR A 5 6.389 4.259 -1.328 1.00 0.00 C ATOM 82 CG TYR A 5 7.368 3.474 -0.485 1.00 0.00 C ATOM 83 CD1 TYR A 5 7.100 3.197 0.850 1.00 0.00 C ATOM 84 CD2 TYR A 5 8.562 3.010 -1.024 1.00 0.00 C ATOM 85 CE1 TYR A 5 7.993 2.481 1.623 1.00 0.00 C ATOM 86 CE2 TYR A 5 9.460 2.293 -0.257 1.00 0.00 C ATOM 87 CZ TYR A 5 9.172 2.032 1.066 1.00 0.00 C ATOM 88 OH TYR A 5 10.064 1.318 1.833 1.00 0.00 O ATOM 0 H TYR A 5 4.424 5.108 -2.794 1.00 0.00 H new ATOM 0 HA TYR A 5 5.238 2.487 -1.720 1.00 0.00 H new ATOM 0 HB2 TYR A 5 6.842 4.464 -2.298 1.00 0.00 H new ATOM 0 HB3 TYR A 5 6.204 5.222 -0.852 1.00 0.00 H new ATOM 0 HD1 TYR A 5 6.178 3.547 1.290 1.00 0.00 H new ATOM 0 HD2 TYR A 5 8.792 3.213 -2.060 1.00 0.00 H new ATOM 0 HE1 TYR A 5 7.769 2.274 2.659 1.00 0.00 H new ATOM 0 HE2 TYR A 5 10.383 1.939 -0.692 1.00 0.00 H new ATOM 0 HH TYR A 5 10.842 1.076 1.289 1.00 0.00 H new ATOM 98 N VAL A 6 3.910 2.556 0.355 1.00 0.00 N ATOM 99 CA VAL A 6 3.088 2.551 1.560 1.00 0.00 C ATOM 100 C VAL A 6 3.850 1.960 2.742 1.00 0.00 C ATOM 101 O VAL A 6 4.386 0.855 2.658 1.00 0.00 O ATOM 102 CB VAL A 6 1.785 1.755 1.348 1.00 0.00 C ATOM 103 CG1 VAL A 6 2.089 0.296 1.034 1.00 0.00 C ATOM 104 CG2 VAL A 6 0.883 1.868 2.569 1.00 0.00 C ATOM 0 H VAL A 6 4.246 1.636 0.069 1.00 0.00 H new ATOM 0 HA VAL A 6 2.837 3.589 1.778 1.00 0.00 H new ATOM 0 HB VAL A 6 1.259 2.182 0.495 1.00 0.00 H new ATOM 0 HG11 VAL A 6 1.155 -0.247 0.888 1.00 0.00 H new ATOM 0 HG12 VAL A 6 2.689 0.237 0.126 1.00 0.00 H new ATOM 0 HG13 VAL A 6 2.641 -0.147 1.863 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -0.031 1.299 2.400 1.00 0.00 H new ATOM 0 HG22 VAL A 6 1.401 1.471 3.442 1.00 0.00 H new ATOM 0 HG23 VAL A 6 0.633 2.915 2.741 1.00 0.00 H new ATOM 114 N GLY A 7 3.892 2.702 3.844 1.00 0.00 N ATOM 115 CA GLY A 7 4.589 2.235 5.027 1.00 0.00 C ATOM 116 C GLY A 7 3.638 1.787 6.119 1.00 0.00 C ATOM 117 O GLY A 7 2.429 1.701 5.902 1.00 0.00 O ATOM 0 H GLY A 7 3.455 3.619 3.938 1.00 0.00 H new ATOM 0 HA2 GLY A 7 5.243 1.406 4.756 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.226 3.033 5.409 1.00 0.00 H new ATOM 121 N ASN A 8 4.185 1.500 7.296 1.00 0.00 N ATOM 122 CA ASN A 8 3.376 1.057 8.425 1.00 0.00 C ATOM 123 C ASN A 8 2.624 -0.227 8.087 1.00 0.00 C ATOM 124 O ASN A 8 1.531 -0.470 8.597 1.00 0.00 O ATOM 125 CB ASN A 8 2.388 2.155 8.831 1.00 0.00 C ATOM 126 CG ASN A 8 2.884 2.971 10.009 1.00 0.00 C ATOM 127 OD1 ASN A 8 3.221 4.230 9.756 1.00 0.00 O flip ATOM 128 ND2 ASN A 8 2.962 2.475 11.132 1.00 0.00 N flip ATOM 0 H ASN A 8 5.184 1.566 7.492 1.00 0.00 H new ATOM 0 HA ASN A 8 4.043 0.852 9.262 1.00 0.00 H new ATOM 0 HB2 ASN A 8 2.214 2.816 7.982 1.00 0.00 H new ATOM 0 HB3 ASN A 8 1.429 1.702 9.084 1.00 0.00 H new ATOM 0 HD21 ASN A 8 2.692 1.503 11.280 1.00 0.00 H new ATOM 0 HD22 ASN A 8 3.297 3.036 11.915 1.00 0.00 H new ATOM 135 N LEU A 9 3.217 -1.045 7.223 1.00 0.00 N ATOM 136 CA LEU A 9 2.601 -2.303 6.817 1.00 0.00 C ATOM 137 C LEU A 9 2.877 -3.402 7.840 1.00 0.00 C ATOM 138 O LEU A 9 3.731 -3.251 8.714 1.00 0.00 O ATOM 139 CB LEU A 9 3.117 -2.730 5.441 1.00 0.00 C ATOM 140 CG LEU A 9 2.703 -1.820 4.282 1.00 0.00 C ATOM 141 CD1 LEU A 9 3.149 -2.412 2.954 1.00 0.00 C ATOM 142 CD2 LEU A 9 1.198 -1.599 4.289 1.00 0.00 C ATOM 0 H LEU A 9 4.122 -0.859 6.791 1.00 0.00 H new ATOM 0 HA LEU A 9 1.524 -2.147 6.760 1.00 0.00 H new ATOM 0 HB2 LEU A 9 4.205 -2.775 5.476 1.00 0.00 H new ATOM 0 HB3 LEU A 9 2.762 -3.740 5.234 1.00 0.00 H new ATOM 0 HG LEU A 9 3.193 -0.855 4.410 1.00 0.00 H new ATOM 0 HD11 LEU A 9 2.846 -1.752 2.141 1.00 0.00 H new ATOM 0 HD12 LEU A 9 4.234 -2.519 2.949 1.00 0.00 H new ATOM 0 HD13 LEU A 9 2.687 -3.390 2.818 1.00 0.00 H new ATOM 0 HD21 LEU A 9 0.922 -0.950 3.458 1.00 0.00 H new ATOM 0 HD22 LEU A 9 0.689 -2.557 4.185 1.00 0.00 H new ATOM 0 HD23 LEU A 9 0.903 -1.131 5.228 1.00 0.00 H new ATOM 154 N VAL A 10 2.148 -4.507 7.722 1.00 0.00 N ATOM 155 CA VAL A 10 2.310 -5.632 8.634 1.00 0.00 C ATOM 156 C VAL A 10 1.701 -6.904 8.041 1.00 0.00 C ATOM 157 O VAL A 10 1.254 -6.907 6.893 1.00 0.00 O ATOM 158 CB VAL A 10 1.675 -5.324 10.013 1.00 0.00 C ATOM 159 CG1 VAL A 10 0.200 -5.707 10.048 1.00 0.00 C ATOM 160 CG2 VAL A 10 2.441 -6.024 11.126 1.00 0.00 C ATOM 0 H VAL A 10 1.439 -4.647 7.003 1.00 0.00 H new ATOM 0 HA VAL A 10 3.378 -5.794 8.777 1.00 0.00 H new ATOM 0 HB VAL A 10 1.739 -4.248 10.174 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -0.212 -5.477 11.030 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -0.340 -5.144 9.287 1.00 0.00 H new ATOM 0 HG13 VAL A 10 0.096 -6.774 9.852 1.00 0.00 H new ATOM 0 HG21 VAL A 10 1.979 -5.794 12.086 1.00 0.00 H new ATOM 0 HG22 VAL A 10 2.419 -7.101 10.961 1.00 0.00 H new ATOM 0 HG23 VAL A 10 3.475 -5.678 11.129 1.00 0.00 H new ATOM 170 N TYR A 11 1.684 -7.982 8.822 1.00 0.00 N ATOM 171 CA TYR A 11 1.127 -9.254 8.367 1.00 0.00 C ATOM 172 C TYR A 11 -0.230 -9.053 7.696 1.00 0.00 C ATOM 173 O TYR A 11 -0.450 -9.494 6.568 1.00 0.00 O ATOM 174 CB TYR A 11 0.984 -10.222 9.545 1.00 0.00 C ATOM 175 CG TYR A 11 2.184 -11.119 9.743 1.00 0.00 C ATOM 176 CD1 TYR A 11 2.407 -12.209 8.910 1.00 0.00 C ATOM 177 CD2 TYR A 11 3.094 -10.879 10.766 1.00 0.00 C ATOM 178 CE1 TYR A 11 3.502 -13.033 9.090 1.00 0.00 C ATOM 179 CE2 TYR A 11 4.192 -11.699 10.951 1.00 0.00 C ATOM 180 CZ TYR A 11 4.391 -12.774 10.111 1.00 0.00 C ATOM 181 OH TYR A 11 5.482 -13.592 10.293 1.00 0.00 O ATOM 0 H TYR A 11 2.050 -8.000 9.774 1.00 0.00 H new ATOM 0 HA TYR A 11 1.814 -9.677 7.634 1.00 0.00 H new ATOM 0 HB2 TYR A 11 0.816 -9.649 10.457 1.00 0.00 H new ATOM 0 HB3 TYR A 11 0.100 -10.841 9.390 1.00 0.00 H new ATOM 0 HD1 TYR A 11 1.713 -12.416 8.109 1.00 0.00 H new ATOM 0 HD2 TYR A 11 2.941 -10.039 11.427 1.00 0.00 H new ATOM 0 HE1 TYR A 11 3.660 -13.876 8.434 1.00 0.00 H new ATOM 0 HE2 TYR A 11 4.890 -11.498 11.750 1.00 0.00 H new ATOM 0 HH TYR A 11 5.758 -13.966 9.430 1.00 0.00 H new ATOM 191 N SER A 12 -1.134 -8.380 8.401 1.00 0.00 N ATOM 192 CA SER A 12 -2.469 -8.112 7.879 1.00 0.00 C ATOM 193 C SER A 12 -3.056 -6.860 8.523 1.00 0.00 C ATOM 194 O SER A 12 -3.926 -6.944 9.389 1.00 0.00 O ATOM 195 CB SER A 12 -3.388 -9.310 8.131 1.00 0.00 C ATOM 196 OG SER A 12 -3.288 -10.259 7.085 1.00 0.00 O ATOM 0 H SER A 12 -0.966 -8.010 9.336 1.00 0.00 H new ATOM 0 HA SER A 12 -2.390 -7.946 6.805 1.00 0.00 H new ATOM 0 HB2 SER A 12 -3.126 -9.780 9.079 1.00 0.00 H new ATOM 0 HB3 SER A 12 -4.419 -8.969 8.219 1.00 0.00 H new ATOM 0 HG SER A 12 -2.399 -10.204 6.677 1.00 0.00 H new ATOM 202 N ALA A 13 -2.567 -5.700 8.098 1.00 0.00 N ATOM 203 CA ALA A 13 -3.037 -4.431 8.640 1.00 0.00 C ATOM 204 C ALA A 13 -4.140 -3.830 7.775 1.00 0.00 C ATOM 205 O ALA A 13 -5.237 -3.554 8.259 1.00 0.00 O ATOM 206 CB ALA A 13 -1.878 -3.454 8.771 1.00 0.00 C ATOM 0 H ALA A 13 -1.847 -5.613 7.381 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.455 -4.623 9.628 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.242 -2.510 9.177 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.125 -3.870 9.440 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -1.436 -3.281 7.790 1.00 0.00 H new ATOM 212 N THR A 14 -3.842 -3.624 6.496 1.00 0.00 N ATOM 213 CA THR A 14 -4.813 -3.049 5.570 1.00 0.00 C ATOM 214 C THR A 14 -4.380 -3.237 4.119 1.00 0.00 C ATOM 215 O THR A 14 -5.216 -3.419 3.235 1.00 0.00 O ATOM 216 CB THR A 14 -5.009 -1.560 5.861 1.00 0.00 C ATOM 217 OG1 THR A 14 -4.928 -1.302 7.252 1.00 0.00 O ATOM 218 CG2 THR A 14 -6.338 -1.025 5.374 1.00 0.00 C ATOM 0 H THR A 14 -2.939 -3.846 6.077 1.00 0.00 H new ATOM 0 HA THR A 14 -5.757 -3.574 5.715 1.00 0.00 H new ATOM 0 HB THR A 14 -4.209 -1.055 5.319 1.00 0.00 H new ATOM 0 HG1 THR A 14 -5.504 -1.930 7.735 1.00 0.00 H new ATOM 0 HG21 THR A 14 -6.412 0.036 5.612 1.00 0.00 H new ATOM 0 HG22 THR A 14 -6.412 -1.161 4.295 1.00 0.00 H new ATOM 0 HG23 THR A 14 -7.149 -1.564 5.864 1.00 0.00 H new ATOM 226 N SER A 15 -3.073 -3.187 3.874 1.00 0.00 N ATOM 227 CA SER A 15 -2.539 -3.346 2.522 1.00 0.00 C ATOM 228 C SER A 15 -3.163 -4.544 1.813 1.00 0.00 C ATOM 229 O SER A 15 -3.709 -4.412 0.717 1.00 0.00 O ATOM 230 CB SER A 15 -1.019 -3.499 2.566 1.00 0.00 C ATOM 231 OG SER A 15 -0.406 -2.818 1.484 1.00 0.00 O ATOM 0 H SER A 15 -2.364 -3.038 4.592 1.00 0.00 H new ATOM 0 HA SER A 15 -2.794 -2.449 1.958 1.00 0.00 H new ATOM 0 HB2 SER A 15 -0.638 -3.107 3.509 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.756 -4.556 2.531 1.00 0.00 H new ATOM 0 HG SER A 15 0.566 -2.930 1.536 1.00 0.00 H new ATOM 237 N GLU A 16 -3.086 -5.709 2.443 1.00 0.00 N ATOM 238 CA GLU A 16 -3.653 -6.922 1.867 1.00 0.00 C ATOM 239 C GLU A 16 -5.178 -6.849 1.832 1.00 0.00 C ATOM 240 O GLU A 16 -5.833 -7.657 1.173 1.00 0.00 O ATOM 241 CB GLU A 16 -3.208 -8.150 2.664 1.00 0.00 C ATOM 242 CG GLU A 16 -3.117 -9.417 1.830 1.00 0.00 C ATOM 243 CD GLU A 16 -3.516 -10.657 2.607 1.00 0.00 C ATOM 244 OE1 GLU A 16 -3.326 -10.670 3.841 1.00 0.00 O ATOM 245 OE2 GLU A 16 -4.018 -11.614 1.980 1.00 0.00 O ATOM 0 H GLU A 16 -2.638 -5.840 3.350 1.00 0.00 H new ATOM 0 HA GLU A 16 -3.288 -7.011 0.844 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.235 -7.949 3.111 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -3.908 -8.314 3.483 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -3.760 -9.319 0.955 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -2.097 -9.534 1.464 1.00 0.00 H new ATOM 252 N GLN A 17 -5.738 -5.875 2.546 1.00 0.00 N ATOM 253 CA GLN A 17 -7.185 -5.698 2.598 1.00 0.00 C ATOM 254 C GLN A 17 -7.664 -4.754 1.498 1.00 0.00 C ATOM 255 O GLN A 17 -8.678 -5.009 0.847 1.00 0.00 O ATOM 256 CB GLN A 17 -7.600 -5.159 3.970 1.00 0.00 C ATOM 257 CG GLN A 17 -9.092 -4.900 4.100 1.00 0.00 C ATOM 258 CD GLN A 17 -9.890 -6.177 4.277 1.00 0.00 C ATOM 259 OE1 GLN A 17 -10.269 -6.537 5.392 1.00 0.00 O ATOM 260 NE2 GLN A 17 -10.151 -6.870 3.174 1.00 0.00 N ATOM 0 H GLN A 17 -5.211 -5.197 3.096 1.00 0.00 H new ATOM 0 HA GLN A 17 -7.651 -6.670 2.438 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -7.296 -5.871 4.737 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -7.061 -4.232 4.164 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -9.271 -4.243 4.951 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -9.445 -4.375 3.212 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -9.818 -6.535 2.270 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -10.685 -7.737 3.231 1.00 0.00 H new ATOM 269 N VAL A 18 -6.937 -3.658 1.304 1.00 0.00 N ATOM 270 CA VAL A 18 -7.293 -2.670 0.294 1.00 0.00 C ATOM 271 C VAL A 18 -6.867 -3.113 -1.103 1.00 0.00 C ATOM 272 O VAL A 18 -7.510 -2.767 -2.094 1.00 0.00 O ATOM 273 CB VAL A 18 -6.658 -1.300 0.606 1.00 0.00 C ATOM 274 CG1 VAL A 18 -5.139 -1.395 0.589 1.00 0.00 C ATOM 275 CG2 VAL A 18 -7.146 -0.246 -0.378 1.00 0.00 C ATOM 0 H VAL A 18 -6.096 -3.432 1.835 1.00 0.00 H new ATOM 0 HA VAL A 18 -8.379 -2.577 0.317 1.00 0.00 H new ATOM 0 HB VAL A 18 -6.967 -0.999 1.607 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -4.711 -0.418 0.811 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -4.811 -2.114 1.339 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -4.806 -1.721 -0.396 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -6.686 0.714 -0.141 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -6.871 -0.539 -1.391 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -8.230 -0.156 -0.307 1.00 0.00 H new ATOM 285 N LYS A 19 -5.780 -3.876 -1.179 1.00 0.00 N ATOM 286 CA LYS A 19 -5.274 -4.358 -2.462 1.00 0.00 C ATOM 287 C LYS A 19 -6.373 -5.055 -3.261 1.00 0.00 C ATOM 288 O LYS A 19 -6.338 -5.081 -4.490 1.00 0.00 O ATOM 289 CB LYS A 19 -4.095 -5.310 -2.247 1.00 0.00 C ATOM 290 CG LYS A 19 -4.480 -6.624 -1.586 1.00 0.00 C ATOM 291 CD LYS A 19 -3.408 -7.683 -1.791 1.00 0.00 C ATOM 292 CE LYS A 19 -4.017 -9.064 -1.963 1.00 0.00 C ATOM 293 NZ LYS A 19 -3.008 -10.064 -2.409 1.00 0.00 N ATOM 0 H LYS A 19 -5.234 -4.173 -0.371 1.00 0.00 H new ATOM 0 HA LYS A 19 -4.933 -3.495 -3.033 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -3.630 -5.521 -3.210 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -3.345 -4.811 -1.633 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -4.637 -6.464 -0.519 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -5.426 -6.977 -1.998 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -2.813 -7.435 -2.670 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -2.730 -7.687 -0.937 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -4.456 -9.387 -1.019 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -4.827 -9.016 -2.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -3.463 -10.993 -2.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -2.607 -9.769 -3.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -2.248 -10.129 -1.702 1.00 0.00 H new ATOM 307 N GLU A 20 -7.349 -5.617 -2.553 1.00 0.00 N ATOM 308 CA GLU A 20 -8.458 -6.311 -3.198 1.00 0.00 C ATOM 309 C GLU A 20 -9.396 -5.319 -3.878 1.00 0.00 C ATOM 310 O GLU A 20 -9.922 -5.587 -4.958 1.00 0.00 O ATOM 311 CB GLU A 20 -9.232 -7.143 -2.173 1.00 0.00 C ATOM 312 CG GLU A 20 -8.351 -8.069 -1.352 1.00 0.00 C ATOM 313 CD GLU A 20 -8.179 -9.432 -1.994 1.00 0.00 C ATOM 314 OE1 GLU A 20 -7.456 -9.522 -3.008 1.00 0.00 O ATOM 315 OE2 GLU A 20 -8.767 -10.408 -1.483 1.00 0.00 O ATOM 0 H GLU A 20 -7.394 -5.605 -1.534 1.00 0.00 H new ATOM 0 HA GLU A 20 -8.047 -6.976 -3.958 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -9.765 -6.471 -1.500 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -9.984 -7.737 -2.693 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -7.372 -7.609 -1.218 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -8.784 -8.191 -0.359 1.00 0.00 H new ATOM 322 N LEU A 21 -9.600 -4.172 -3.238 1.00 0.00 N ATOM 323 CA LEU A 21 -10.474 -3.138 -3.780 1.00 0.00 C ATOM 324 C LEU A 21 -9.699 -2.197 -4.698 1.00 0.00 C ATOM 325 O LEU A 21 -10.262 -1.617 -5.627 1.00 0.00 O ATOM 326 CB LEU A 21 -11.121 -2.343 -2.643 1.00 0.00 C ATOM 327 CG LEU A 21 -12.383 -1.570 -3.031 1.00 0.00 C ATOM 328 CD1 LEU A 21 -13.627 -2.385 -2.713 1.00 0.00 C ATOM 329 CD2 LEU A 21 -12.427 -0.226 -2.315 1.00 0.00 C ATOM 0 H LEU A 21 -9.172 -3.935 -2.343 1.00 0.00 H new ATOM 0 HA LEU A 21 -11.254 -3.625 -4.365 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -11.369 -3.030 -1.834 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -10.388 -1.639 -2.250 1.00 0.00 H new ATOM 0 HG LEU A 21 -12.358 -1.387 -4.105 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -14.515 -1.819 -2.996 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -13.601 -3.321 -3.270 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -13.658 -2.599 -1.645 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -13.331 0.310 -2.603 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -12.429 -0.388 -1.237 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -11.552 0.363 -2.592 1.00 0.00 H new ATOM 341 N PHE A 22 -8.404 -2.050 -4.431 1.00 0.00 N ATOM 342 CA PHE A 22 -7.552 -1.180 -5.233 1.00 0.00 C ATOM 343 C PHE A 22 -7.567 -1.596 -6.703 1.00 0.00 C ATOM 344 O PHE A 22 -7.253 -0.797 -7.585 1.00 0.00 O ATOM 345 CB PHE A 22 -6.118 -1.202 -4.695 1.00 0.00 C ATOM 346 CG PHE A 22 -5.646 0.130 -4.185 1.00 0.00 C ATOM 347 CD1 PHE A 22 -6.480 0.930 -3.421 1.00 0.00 C ATOM 348 CD2 PHE A 22 -4.367 0.582 -4.470 1.00 0.00 C ATOM 349 CE1 PHE A 22 -6.048 2.155 -2.950 1.00 0.00 C ATOM 350 CE2 PHE A 22 -3.930 1.806 -4.002 1.00 0.00 C ATOM 351 CZ PHE A 22 -4.771 2.594 -3.242 1.00 0.00 C ATOM 0 H PHE A 22 -7.923 -2.522 -3.666 1.00 0.00 H new ATOM 0 HA PHE A 22 -7.945 -0.166 -5.163 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -6.052 -1.934 -3.890 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -5.447 -1.537 -5.486 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -7.480 0.592 -3.191 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -3.705 -0.030 -5.065 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -6.708 2.769 -2.354 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -2.931 2.146 -4.231 1.00 0.00 H new ATOM 0 HZ PHE A 22 -4.431 3.552 -2.876 1.00 0.00 H new ATOM 361 N SER A 23 -7.929 -2.849 -6.960 1.00 0.00 N ATOM 362 CA SER A 23 -7.980 -3.365 -8.324 1.00 0.00 C ATOM 363 C SER A 23 -9.312 -3.027 -8.990 1.00 0.00 C ATOM 364 O SER A 23 -9.392 -2.908 -10.213 1.00 0.00 O ATOM 365 CB SER A 23 -7.768 -4.879 -8.326 1.00 0.00 C ATOM 366 OG SER A 23 -8.862 -5.548 -7.725 1.00 0.00 O ATOM 0 H SER A 23 -8.191 -3.525 -6.243 1.00 0.00 H new ATOM 0 HA SER A 23 -7.181 -2.890 -8.893 1.00 0.00 H new ATOM 0 HB2 SER A 23 -7.641 -5.230 -9.350 1.00 0.00 H new ATOM 0 HB3 SER A 23 -6.850 -5.122 -7.790 1.00 0.00 H new ATOM 0 HG SER A 23 -9.611 -5.582 -8.356 1.00 0.00 H new ATOM 372 N GLN A 24 -10.355 -2.880 -8.180 1.00 0.00 N ATOM 373 CA GLN A 24 -11.683 -2.563 -8.694 1.00 0.00 C ATOM 374 C GLN A 24 -11.901 -1.055 -8.773 1.00 0.00 C ATOM 375 O GLN A 24 -12.587 -0.565 -9.670 1.00 0.00 O ATOM 376 CB GLN A 24 -12.758 -3.198 -7.811 1.00 0.00 C ATOM 377 CG GLN A 24 -12.573 -4.692 -7.605 1.00 0.00 C ATOM 378 CD GLN A 24 -12.464 -5.453 -8.913 1.00 0.00 C ATOM 379 OE1 GLN A 24 -11.377 -5.591 -9.475 1.00 0.00 O ATOM 380 NE2 GLN A 24 -13.593 -5.951 -9.403 1.00 0.00 N ATOM 0 H GLN A 24 -10.307 -2.975 -7.166 1.00 0.00 H new ATOM 0 HA GLN A 24 -11.757 -2.971 -9.702 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -12.757 -2.703 -6.840 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -13.736 -3.020 -8.259 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -11.674 -4.865 -7.013 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -13.413 -5.083 -7.031 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -14.471 -5.812 -8.903 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -13.582 -6.473 -10.279 1.00 0.00 H new ATOM 389 N PHE A 25 -11.321 -0.323 -7.828 1.00 0.00 N ATOM 390 CA PHE A 25 -11.461 1.129 -7.793 1.00 0.00 C ATOM 391 C PHE A 25 -10.184 1.819 -8.258 1.00 0.00 C ATOM 392 O PHE A 25 -10.229 2.916 -8.816 1.00 0.00 O ATOM 393 CB PHE A 25 -11.817 1.592 -6.379 1.00 0.00 C ATOM 394 CG PHE A 25 -12.559 2.898 -6.344 1.00 0.00 C ATOM 395 CD1 PHE A 25 -13.774 3.038 -6.995 1.00 0.00 C ATOM 396 CD2 PHE A 25 -12.041 3.986 -5.659 1.00 0.00 C ATOM 397 CE1 PHE A 25 -14.458 4.237 -6.964 1.00 0.00 C ATOM 398 CE2 PHE A 25 -12.721 5.188 -5.624 1.00 0.00 C ATOM 399 CZ PHE A 25 -13.932 5.314 -6.278 1.00 0.00 C ATOM 0 H PHE A 25 -10.750 -0.710 -7.077 1.00 0.00 H new ATOM 0 HA PHE A 25 -12.265 1.404 -8.476 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -12.424 0.826 -5.896 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -10.901 1.688 -5.795 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -14.191 2.199 -7.533 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -11.095 3.893 -5.147 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -15.404 4.333 -7.476 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -12.307 6.028 -5.086 1.00 0.00 H new ATOM 0 HZ PHE A 25 -14.466 6.253 -6.253 1.00 0.00 H new ATOM 409 N GLY A 26 -9.046 1.176 -8.023 1.00 0.00 N ATOM 410 CA GLY A 26 -7.774 1.750 -8.423 1.00 0.00 C ATOM 411 C GLY A 26 -7.191 1.090 -9.659 1.00 0.00 C ATOM 412 O GLY A 26 -6.273 1.626 -10.279 1.00 0.00 O ATOM 0 H GLY A 26 -8.981 0.268 -7.563 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -7.906 2.815 -8.614 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -7.065 1.659 -7.600 1.00 0.00 H new ATOM 416 N LYS A 27 -7.721 -0.076 -10.019 1.00 0.00 N ATOM 417 CA LYS A 27 -7.241 -0.802 -11.186 1.00 0.00 C ATOM 418 C LYS A 27 -5.755 -1.123 -11.053 1.00 0.00 C ATOM 419 O LYS A 27 -5.017 -1.120 -12.040 1.00 0.00 O ATOM 420 CB LYS A 27 -7.495 0.011 -12.457 1.00 0.00 C ATOM 421 CG LYS A 27 -8.317 -0.731 -13.498 1.00 0.00 C ATOM 422 CD LYS A 27 -9.592 0.021 -13.848 1.00 0.00 C ATOM 423 CE LYS A 27 -9.408 0.878 -15.090 1.00 0.00 C ATOM 424 NZ LYS A 27 -9.421 0.061 -16.335 1.00 0.00 N ATOM 0 H LYS A 27 -8.482 -0.536 -9.519 1.00 0.00 H new ATOM 0 HA LYS A 27 -7.789 -1.742 -11.253 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -8.009 0.935 -12.191 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -6.538 0.293 -12.895 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -7.720 -0.874 -14.399 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -8.571 -1.722 -13.123 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -10.402 -0.690 -14.011 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -9.886 0.652 -13.009 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -10.201 1.624 -15.137 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -8.465 1.420 -15.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -8.880 0.550 -17.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -8.990 -0.866 -16.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -10.402 -0.072 -16.653 1.00 0.00 H new ATOM 438 N VAL A 28 -5.322 -1.396 -9.826 1.00 0.00 N ATOM 439 CA VAL A 28 -3.925 -1.718 -9.556 1.00 0.00 C ATOM 440 C VAL A 28 -3.417 -2.813 -10.490 1.00 0.00 C ATOM 441 O VAL A 28 -4.151 -3.740 -10.833 1.00 0.00 O ATOM 442 CB VAL A 28 -3.728 -2.167 -8.094 1.00 0.00 C ATOM 443 CG1 VAL A 28 -4.533 -3.425 -7.804 1.00 0.00 C ATOM 444 CG2 VAL A 28 -2.252 -2.389 -7.795 1.00 0.00 C ATOM 0 H VAL A 28 -5.921 -1.401 -9.000 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.351 -0.808 -9.730 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.092 -1.374 -7.441 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -4.379 -3.724 -6.767 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -5.592 -3.226 -7.971 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -4.205 -4.227 -8.465 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -2.134 -2.705 -6.759 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -1.859 -3.161 -8.457 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -1.705 -1.460 -7.955 1.00 0.00 H new ATOM 454 N PHE A 29 -2.158 -2.696 -10.899 1.00 0.00 N ATOM 455 CA PHE A 29 -1.553 -3.673 -11.795 1.00 0.00 C ATOM 456 C PHE A 29 -0.864 -4.783 -11.006 1.00 0.00 C ATOM 457 O PHE A 29 -0.850 -5.939 -11.427 1.00 0.00 O ATOM 458 CB PHE A 29 -0.548 -2.992 -12.725 1.00 0.00 C ATOM 459 CG PHE A 29 -1.162 -1.941 -13.604 1.00 0.00 C ATOM 460 CD1 PHE A 29 -1.348 -0.650 -13.136 1.00 0.00 C ATOM 461 CD2 PHE A 29 -1.555 -2.245 -14.898 1.00 0.00 C ATOM 462 CE1 PHE A 29 -1.914 0.319 -13.943 1.00 0.00 C ATOM 463 CE2 PHE A 29 -2.122 -1.280 -15.709 1.00 0.00 C ATOM 464 CZ PHE A 29 -2.302 0.003 -15.232 1.00 0.00 C ATOM 0 H PHE A 29 -1.538 -1.934 -10.624 1.00 0.00 H new ATOM 0 HA PHE A 29 -2.347 -4.118 -12.395 1.00 0.00 H new ATOM 0 HB2 PHE A 29 0.240 -2.537 -12.125 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -0.075 -3.748 -13.352 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -1.047 -0.398 -12.130 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -1.417 -3.247 -15.277 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -2.053 1.322 -13.567 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -2.424 -1.530 -16.715 1.00 0.00 H new ATOM 0 HZ PHE A 29 -2.745 0.758 -15.864 1.00 0.00 H new ATOM 474 N ASN A 30 -0.292 -4.425 -9.861 1.00 0.00 N ATOM 475 CA ASN A 30 0.397 -5.396 -9.018 1.00 0.00 C ATOM 476 C ASN A 30 0.700 -4.814 -7.641 1.00 0.00 C ATOM 477 O ASN A 30 0.750 -3.597 -7.466 1.00 0.00 O ATOM 478 CB ASN A 30 1.695 -5.851 -9.688 1.00 0.00 C ATOM 479 CG ASN A 30 2.203 -7.166 -9.131 1.00 0.00 C ATOM 480 OD1 ASN A 30 2.915 -7.098 -8.012 1.00 0.00 O flip ATOM 481 ND2 ASN A 30 1.958 -8.230 -9.699 1.00 0.00 N flip ATOM 0 H ASN A 30 -0.292 -3.472 -9.496 1.00 0.00 H new ATOM 0 HA ASN A 30 -0.261 -6.255 -8.889 1.00 0.00 H new ATOM 0 HB2 ASN A 30 1.530 -5.953 -10.761 1.00 0.00 H new ATOM 0 HB3 ASN A 30 2.458 -5.084 -9.554 1.00 0.00 H new ATOM 0 HD21 ASN A 30 1.407 -8.235 -10.557 1.00 0.00 H new ATOM 0 HD22 ASN A 30 2.306 -9.107 -9.312 1.00 0.00 H new ATOM 488 N VAL A 31 0.901 -5.696 -6.667 1.00 0.00 N ATOM 489 CA VAL A 31 1.203 -5.279 -5.303 1.00 0.00 C ATOM 490 C VAL A 31 2.200 -6.230 -4.652 1.00 0.00 C ATOM 491 O VAL A 31 2.242 -7.416 -4.978 1.00 0.00 O ATOM 492 CB VAL A 31 -0.072 -5.219 -4.438 1.00 0.00 C ATOM 493 CG1 VAL A 31 0.229 -4.589 -3.087 1.00 0.00 C ATOM 494 CG2 VAL A 31 -1.171 -4.454 -5.159 1.00 0.00 C ATOM 0 H VAL A 31 0.860 -6.707 -6.798 1.00 0.00 H new ATOM 0 HA VAL A 31 1.638 -4.281 -5.363 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.422 -6.237 -4.268 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.682 -4.555 -2.490 1.00 0.00 H new ATOM 0 HG12 VAL A 31 0.981 -5.183 -2.568 1.00 0.00 H new ATOM 0 HG13 VAL A 31 0.605 -3.576 -3.233 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -2.063 -4.422 -4.533 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -0.834 -3.438 -5.362 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.405 -4.953 -6.099 1.00 0.00 H new ATOM 504 N LYS A 32 3.004 -5.706 -3.731 1.00 0.00 N ATOM 505 CA LYS A 32 4.000 -6.519 -3.043 1.00 0.00 C ATOM 506 C LYS A 32 4.615 -5.765 -1.869 1.00 0.00 C ATOM 507 O LYS A 32 4.693 -4.536 -1.877 1.00 0.00 O ATOM 508 CB LYS A 32 5.097 -6.946 -4.019 1.00 0.00 C ATOM 509 CG LYS A 32 6.078 -7.948 -3.433 1.00 0.00 C ATOM 510 CD LYS A 32 7.235 -8.214 -4.381 1.00 0.00 C ATOM 511 CE LYS A 32 8.255 -7.088 -4.343 1.00 0.00 C ATOM 512 NZ LYS A 32 9.650 -7.598 -4.451 1.00 0.00 N ATOM 0 H LYS A 32 2.985 -4.727 -3.445 1.00 0.00 H new ATOM 0 HA LYS A 32 3.498 -7.405 -2.653 1.00 0.00 H new ATOM 0 HB2 LYS A 32 4.634 -7.380 -4.905 1.00 0.00 H new ATOM 0 HB3 LYS A 32 5.645 -6.062 -4.346 1.00 0.00 H new ATOM 0 HG2 LYS A 32 6.462 -7.571 -2.485 1.00 0.00 H new ATOM 0 HG3 LYS A 32 5.560 -8.883 -3.218 1.00 0.00 H new ATOM 0 HD2 LYS A 32 7.718 -9.153 -4.113 1.00 0.00 H new ATOM 0 HD3 LYS A 32 6.856 -8.329 -5.396 1.00 0.00 H new ATOM 0 HE2 LYS A 32 8.059 -6.393 -5.159 1.00 0.00 H new ATOM 0 HE3 LYS A 32 8.144 -6.529 -3.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 10.315 -6.799 -4.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 9.847 -8.242 -3.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 9.764 -8.110 -5.349 1.00 0.00 H new ATOM 526 N LEU A 33 5.054 -6.514 -0.862 1.00 0.00 N ATOM 527 CA LEU A 33 5.670 -5.926 0.324 1.00 0.00 C ATOM 528 C LEU A 33 6.931 -6.697 0.704 1.00 0.00 C ATOM 529 O LEU A 33 7.323 -7.638 0.013 1.00 0.00 O ATOM 530 CB LEU A 33 4.688 -5.919 1.503 1.00 0.00 C ATOM 531 CG LEU A 33 3.229 -6.231 1.151 1.00 0.00 C ATOM 532 CD1 LEU A 33 2.463 -6.662 2.392 1.00 0.00 C ATOM 533 CD2 LEU A 33 2.567 -5.021 0.506 1.00 0.00 C ATOM 0 H LEU A 33 4.995 -7.532 -0.843 1.00 0.00 H new ATOM 0 HA LEU A 33 5.939 -4.896 0.090 1.00 0.00 H new ATOM 0 HB2 LEU A 33 5.029 -6.646 2.241 1.00 0.00 H new ATOM 0 HB3 LEU A 33 4.727 -4.939 1.979 1.00 0.00 H new ATOM 0 HG LEU A 33 3.214 -7.053 0.436 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.429 -6.880 2.124 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.925 -7.555 2.813 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.485 -5.860 3.130 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.532 -5.259 0.262 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.592 -4.180 1.199 1.00 0.00 H new ATOM 0 HD23 LEU A 33 3.103 -4.756 -0.406 1.00 0.00 H new ATOM 545 N ILE A 34 7.562 -6.300 1.803 1.00 0.00 N ATOM 546 CA ILE A 34 8.775 -6.966 2.263 1.00 0.00 C ATOM 547 C ILE A 34 8.673 -7.340 3.738 1.00 0.00 C ATOM 548 O ILE A 34 7.659 -7.082 4.385 1.00 0.00 O ATOM 549 CB ILE A 34 10.022 -6.088 2.045 1.00 0.00 C ATOM 550 CG1 ILE A 34 9.833 -4.716 2.694 1.00 0.00 C ATOM 551 CG2 ILE A 34 10.313 -5.943 0.559 1.00 0.00 C ATOM 552 CD1 ILE A 34 10.634 -4.539 3.964 1.00 0.00 C ATOM 0 H ILE A 34 7.256 -5.524 2.390 1.00 0.00 H new ATOM 0 HA ILE A 34 8.879 -7.875 1.670 1.00 0.00 H new ATOM 0 HB ILE A 34 10.875 -6.574 2.518 1.00 0.00 H new ATOM 0 HG12 ILE A 34 10.119 -3.942 1.982 1.00 0.00 H new ATOM 0 HG13 ILE A 34 8.776 -4.569 2.916 1.00 0.00 H new ATOM 0 HG21 ILE A 34 11.197 -5.320 0.420 1.00 0.00 H new ATOM 0 HG22 ILE A 34 10.491 -6.927 0.125 1.00 0.00 H new ATOM 0 HG23 ILE A 34 9.460 -5.478 0.065 1.00 0.00 H new ATOM 0 HD11 ILE A 34 10.454 -3.545 4.372 1.00 0.00 H new ATOM 0 HD12 ILE A 34 10.331 -5.291 4.693 1.00 0.00 H new ATOM 0 HD13 ILE A 34 11.695 -4.654 3.744 1.00 0.00 H new ATOM 564 N TYR A 35 9.728 -7.958 4.260 1.00 0.00 N ATOM 565 CA TYR A 35 9.760 -8.378 5.657 1.00 0.00 C ATOM 566 C TYR A 35 11.133 -8.121 6.273 1.00 0.00 C ATOM 567 O TYR A 35 11.968 -7.433 5.685 1.00 0.00 O ATOM 568 CB TYR A 35 9.396 -9.865 5.772 1.00 0.00 C ATOM 569 CG TYR A 35 9.798 -10.692 4.570 1.00 0.00 C ATOM 570 CD1 TYR A 35 11.054 -10.553 3.995 1.00 0.00 C ATOM 571 CD2 TYR A 35 8.918 -11.611 4.011 1.00 0.00 C ATOM 572 CE1 TYR A 35 11.424 -11.307 2.897 1.00 0.00 C ATOM 573 CE2 TYR A 35 9.280 -12.369 2.913 1.00 0.00 C ATOM 574 CZ TYR A 35 10.533 -12.212 2.360 1.00 0.00 C ATOM 575 OH TYR A 35 10.898 -12.966 1.267 1.00 0.00 O ATOM 0 H TYR A 35 10.574 -8.180 3.735 1.00 0.00 H new ATOM 0 HA TYR A 35 9.025 -7.790 6.207 1.00 0.00 H new ATOM 0 HB2 TYR A 35 9.874 -10.278 6.660 1.00 0.00 H new ATOM 0 HB3 TYR A 35 8.320 -9.955 5.918 1.00 0.00 H new ATOM 0 HD1 TYR A 35 11.754 -9.844 4.412 1.00 0.00 H new ATOM 0 HD2 TYR A 35 7.935 -11.735 4.441 1.00 0.00 H new ATOM 0 HE1 TYR A 35 12.405 -11.188 2.462 1.00 0.00 H new ATOM 0 HE2 TYR A 35 8.585 -13.080 2.491 1.00 0.00 H new ATOM 0 HH TYR A 35 10.157 -13.555 1.014 1.00 0.00 H new ATOM 585 N ASP A 36 11.358 -8.673 7.463 1.00 0.00 N ATOM 586 CA ASP A 36 12.626 -8.499 8.162 1.00 0.00 C ATOM 587 C ASP A 36 13.802 -8.991 7.320 1.00 0.00 C ATOM 588 O ASP A 36 14.946 -8.603 7.554 1.00 0.00 O ATOM 589 CB ASP A 36 12.598 -9.242 9.499 1.00 0.00 C ATOM 590 CG ASP A 36 13.134 -8.398 10.639 1.00 0.00 C ATOM 591 OD1 ASP A 36 14.104 -7.644 10.415 1.00 0.00 O ATOM 592 OD2 ASP A 36 12.584 -8.494 11.757 1.00 0.00 O ATOM 0 H ASP A 36 10.677 -9.245 7.963 1.00 0.00 H new ATOM 0 HA ASP A 36 12.762 -7.433 8.342 1.00 0.00 H new ATOM 0 HB2 ASP A 36 11.575 -9.543 9.723 1.00 0.00 H new ATOM 0 HB3 ASP A 36 13.188 -10.155 9.417 1.00 0.00 H new ATOM 597 N ARG A 37 13.517 -9.850 6.344 1.00 0.00 N ATOM 598 CA ARG A 37 14.558 -10.395 5.477 1.00 0.00 C ATOM 599 C ARG A 37 15.449 -11.368 6.245 1.00 0.00 C ATOM 600 O ARG A 37 16.614 -11.566 5.900 1.00 0.00 O ATOM 601 CB ARG A 37 15.403 -9.267 4.877 1.00 0.00 C ATOM 602 CG ARG A 37 15.394 -9.242 3.357 1.00 0.00 C ATOM 603 CD ARG A 37 16.668 -9.841 2.778 1.00 0.00 C ATOM 604 NE ARG A 37 16.389 -10.778 1.693 1.00 0.00 N ATOM 605 CZ ARG A 37 17.291 -11.157 0.791 1.00 0.00 C ATOM 606 NH1 ARG A 37 18.530 -10.683 0.841 1.00 0.00 N ATOM 607 NH2 ARG A 37 16.953 -12.014 -0.163 1.00 0.00 N ATOM 0 H ARG A 37 12.576 -10.183 6.134 1.00 0.00 H new ATOM 0 HA ARG A 37 14.072 -10.938 4.666 1.00 0.00 H new ATOM 0 HB2 ARG A 37 15.035 -8.311 5.250 1.00 0.00 H new ATOM 0 HB3 ARG A 37 16.431 -9.370 5.224 1.00 0.00 H new ATOM 0 HG2 ARG A 37 14.531 -9.796 2.989 1.00 0.00 H new ATOM 0 HG3 ARG A 37 15.284 -8.214 3.010 1.00 0.00 H new ATOM 0 HD2 ARG A 37 17.310 -9.041 2.410 1.00 0.00 H new ATOM 0 HD3 ARG A 37 17.219 -10.354 3.567 1.00 0.00 H new ATOM 0 HE ARG A 37 15.448 -11.165 1.622 1.00 0.00 H new ATOM 0 HH11 ARG A 37 18.795 -10.025 1.574 1.00 0.00 H new ATOM 0 HH12 ARG A 37 19.217 -10.977 0.147 1.00 0.00 H new ATOM 0 HH21 ARG A 37 16.003 -12.382 -0.205 1.00 0.00 H new ATOM 0 HH22 ARG A 37 17.643 -12.305 -0.855 1.00 0.00 H new ATOM 621 N GLU A 38 14.888 -11.973 7.288 1.00 0.00 N ATOM 622 CA GLU A 38 15.620 -12.930 8.110 1.00 0.00 C ATOM 623 C GLU A 38 14.653 -13.870 8.820 1.00 0.00 C ATOM 624 O GLU A 38 14.839 -15.088 8.820 1.00 0.00 O ATOM 625 CB GLU A 38 16.489 -12.198 9.135 1.00 0.00 C ATOM 626 CG GLU A 38 15.700 -11.290 10.065 1.00 0.00 C ATOM 627 CD GLU A 38 16.590 -10.526 11.025 1.00 0.00 C ATOM 628 OE1 GLU A 38 17.520 -11.140 11.590 1.00 0.00 O ATOM 629 OE2 GLU A 38 16.356 -9.314 11.215 1.00 0.00 O ATOM 0 H GLU A 38 13.925 -11.816 7.584 1.00 0.00 H new ATOM 0 HA GLU A 38 16.267 -13.519 7.459 1.00 0.00 H new ATOM 0 HB2 GLU A 38 17.030 -12.933 9.731 1.00 0.00 H new ATOM 0 HB3 GLU A 38 17.235 -11.604 8.608 1.00 0.00 H new ATOM 0 HG2 GLU A 38 15.120 -10.583 9.471 1.00 0.00 H new ATOM 0 HG3 GLU A 38 14.988 -11.888 10.633 1.00 0.00 H new ATOM 636 N THR A 39 13.612 -13.295 9.413 1.00 0.00 N ATOM 637 CA THR A 39 12.601 -14.075 10.118 1.00 0.00 C ATOM 638 C THR A 39 11.305 -14.147 9.311 1.00 0.00 C ATOM 639 O THR A 39 10.327 -14.755 9.745 1.00 0.00 O ATOM 640 CB THR A 39 12.324 -13.463 11.493 1.00 0.00 C ATOM 641 OG1 THR A 39 12.567 -12.068 11.479 1.00 0.00 O ATOM 642 CG2 THR A 39 13.167 -14.065 12.596 1.00 0.00 C ATOM 0 H THR A 39 13.446 -12.289 9.419 1.00 0.00 H new ATOM 0 HA THR A 39 12.984 -15.087 10.247 1.00 0.00 H new ATOM 0 HB THR A 39 11.276 -13.679 11.700 1.00 0.00 H new ATOM 0 HG1 THR A 39 13.003 -11.804 12.316 1.00 0.00 H new ATOM 0 HG21 THR A 39 12.921 -13.587 13.544 1.00 0.00 H new ATOM 0 HG22 THR A 39 12.965 -15.134 12.666 1.00 0.00 H new ATOM 0 HG23 THR A 39 14.223 -13.909 12.374 1.00 0.00 H new ATOM 650 N LYS A 40 11.304 -13.522 8.133 1.00 0.00 N ATOM 651 CA LYS A 40 10.131 -13.515 7.267 1.00 0.00 C ATOM 652 C LYS A 40 8.967 -12.786 7.928 1.00 0.00 C ATOM 653 O LYS A 40 7.813 -13.197 7.808 1.00 0.00 O ATOM 654 CB LYS A 40 9.720 -14.946 6.909 1.00 0.00 C ATOM 655 CG LYS A 40 10.812 -15.734 6.203 1.00 0.00 C ATOM 656 CD LYS A 40 10.306 -16.361 4.914 1.00 0.00 C ATOM 657 CE LYS A 40 11.445 -16.939 4.090 1.00 0.00 C ATOM 658 NZ LYS A 40 11.872 -16.012 3.004 1.00 0.00 N ATOM 0 H LYS A 40 12.105 -13.014 7.759 1.00 0.00 H new ATOM 0 HA LYS A 40 10.393 -12.984 6.352 1.00 0.00 H new ATOM 0 HB2 LYS A 40 9.435 -15.472 7.820 1.00 0.00 H new ATOM 0 HB3 LYS A 40 8.837 -14.913 6.271 1.00 0.00 H new ATOM 0 HG2 LYS A 40 11.652 -15.075 5.982 1.00 0.00 H new ATOM 0 HG3 LYS A 40 11.185 -16.515 6.866 1.00 0.00 H new ATOM 0 HD2 LYS A 40 9.589 -17.148 5.148 1.00 0.00 H new ATOM 0 HD3 LYS A 40 9.775 -15.611 4.327 1.00 0.00 H new ATOM 0 HE2 LYS A 40 12.293 -17.150 4.741 1.00 0.00 H new ATOM 0 HE3 LYS A 40 11.133 -17.888 3.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 12.650 -16.443 2.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 11.070 -15.830 2.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 12.194 -15.115 3.420 1.00 0.00 H new ATOM 672 N LYS A 41 9.280 -11.696 8.620 1.00 0.00 N ATOM 673 CA LYS A 41 8.263 -10.902 9.294 1.00 0.00 C ATOM 674 C LYS A 41 7.922 -9.658 8.474 1.00 0.00 C ATOM 675 O LYS A 41 8.660 -8.674 8.496 1.00 0.00 O ATOM 676 CB LYS A 41 8.746 -10.493 10.687 1.00 0.00 C ATOM 677 CG LYS A 41 8.470 -11.539 11.756 1.00 0.00 C ATOM 678 CD LYS A 41 8.802 -11.018 13.146 1.00 0.00 C ATOM 679 CE LYS A 41 10.068 -11.658 13.695 1.00 0.00 C ATOM 680 NZ LYS A 41 9.839 -13.066 14.122 1.00 0.00 N ATOM 0 H LYS A 41 10.231 -11.343 8.728 1.00 0.00 H new ATOM 0 HA LYS A 41 7.364 -11.510 9.395 1.00 0.00 H new ATOM 0 HB2 LYS A 41 9.818 -10.298 10.649 1.00 0.00 H new ATOM 0 HB3 LYS A 41 8.262 -9.558 10.971 1.00 0.00 H new ATOM 0 HG2 LYS A 41 7.421 -11.832 11.717 1.00 0.00 H new ATOM 0 HG3 LYS A 41 9.058 -12.433 11.552 1.00 0.00 H new ATOM 0 HD2 LYS A 41 8.927 -9.936 13.110 1.00 0.00 H new ATOM 0 HD3 LYS A 41 7.969 -11.220 13.820 1.00 0.00 H new ATOM 0 HE2 LYS A 41 10.847 -11.632 12.933 1.00 0.00 H new ATOM 0 HE3 LYS A 41 10.431 -11.076 14.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 10.726 -13.466 14.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 9.114 -13.089 14.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 9.517 -13.628 13.308 1.00 0.00 H new ATOM 694 N PRO A 42 6.797 -9.684 7.734 1.00 0.00 N ATOM 695 CA PRO A 42 6.376 -8.550 6.907 1.00 0.00 C ATOM 696 C PRO A 42 6.036 -7.322 7.743 1.00 0.00 C ATOM 697 O PRO A 42 5.005 -7.281 8.413 1.00 0.00 O ATOM 698 CB PRO A 42 5.127 -9.068 6.186 1.00 0.00 C ATOM 699 CG PRO A 42 4.633 -10.192 7.028 1.00 0.00 C ATOM 700 CD PRO A 42 5.856 -10.814 7.642 1.00 0.00 C ATOM 0 HA PRO A 42 7.167 -8.227 6.230 1.00 0.00 H new ATOM 0 HB2 PRO A 42 4.374 -8.286 6.091 1.00 0.00 H new ATOM 0 HB3 PRO A 42 5.365 -9.406 5.177 1.00 0.00 H new ATOM 0 HG2 PRO A 42 3.949 -9.833 7.797 1.00 0.00 H new ATOM 0 HG3 PRO A 42 4.085 -10.918 6.428 1.00 0.00 H new ATOM 0 HD2 PRO A 42 5.642 -11.241 8.622 1.00 0.00 H new ATOM 0 HD3 PRO A 42 6.252 -11.619 7.023 1.00 0.00 H new ATOM 708 N LYS A 43 6.912 -6.321 7.700 1.00 0.00 N ATOM 709 CA LYS A 43 6.698 -5.093 8.459 1.00 0.00 C ATOM 710 C LYS A 43 7.707 -4.020 8.067 1.00 0.00 C ATOM 711 O LYS A 43 8.184 -3.262 8.912 1.00 0.00 O ATOM 712 CB LYS A 43 6.785 -5.365 9.965 1.00 0.00 C ATOM 713 CG LYS A 43 7.780 -6.452 10.341 1.00 0.00 C ATOM 714 CD LYS A 43 9.194 -6.090 9.913 1.00 0.00 C ATOM 715 CE LYS A 43 10.213 -6.484 10.970 1.00 0.00 C ATOM 716 NZ LYS A 43 11.405 -5.592 10.952 1.00 0.00 N ATOM 0 H LYS A 43 7.772 -6.336 7.151 1.00 0.00 H new ATOM 0 HA LYS A 43 5.698 -4.729 8.222 1.00 0.00 H new ATOM 0 HB2 LYS A 43 7.061 -4.442 10.475 1.00 0.00 H new ATOM 0 HB3 LYS A 43 5.798 -5.648 10.330 1.00 0.00 H new ATOM 0 HG2 LYS A 43 7.755 -6.611 11.419 1.00 0.00 H new ATOM 0 HG3 LYS A 43 7.487 -7.392 9.873 1.00 0.00 H new ATOM 0 HD2 LYS A 43 9.430 -6.590 8.974 1.00 0.00 H new ATOM 0 HD3 LYS A 43 9.256 -5.018 9.728 1.00 0.00 H new ATOM 0 HE2 LYS A 43 9.747 -6.448 11.955 1.00 0.00 H new ATOM 0 HE3 LYS A 43 10.528 -7.514 10.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 12.076 -5.894 11.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 11.865 -5.646 10.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 11.108 -4.612 11.135 1.00 0.00 H new ATOM 730 N GLY A 44 8.028 -3.955 6.778 1.00 0.00 N ATOM 731 CA GLY A 44 8.976 -2.968 6.300 1.00 0.00 C ATOM 732 C GLY A 44 8.447 -2.182 5.116 1.00 0.00 C ATOM 733 O GLY A 44 9.210 -1.776 4.240 1.00 0.00 O ATOM 0 H GLY A 44 7.648 -4.569 6.057 1.00 0.00 H new ATOM 0 HA2 GLY A 44 9.219 -2.280 7.110 1.00 0.00 H new ATOM 0 HA3 GLY A 44 9.903 -3.466 6.016 1.00 0.00 H new ATOM 737 N PHE A 45 7.134 -1.966 5.092 1.00 0.00 N ATOM 738 CA PHE A 45 6.492 -1.220 4.013 1.00 0.00 C ATOM 739 C PHE A 45 6.458 -2.042 2.728 1.00 0.00 C ATOM 740 O PHE A 45 7.144 -3.058 2.609 1.00 0.00 O ATOM 741 CB PHE A 45 7.216 0.108 3.761 1.00 0.00 C ATOM 742 CG PHE A 45 7.807 0.727 4.998 1.00 0.00 C ATOM 743 CD1 PHE A 45 7.123 0.693 6.203 1.00 0.00 C ATOM 744 CD2 PHE A 45 9.047 1.344 4.954 1.00 0.00 C ATOM 745 CE1 PHE A 45 7.665 1.261 7.340 1.00 0.00 C ATOM 746 CE2 PHE A 45 9.595 1.914 6.087 1.00 0.00 C ATOM 747 CZ PHE A 45 8.903 1.872 7.282 1.00 0.00 C ATOM 0 H PHE A 45 6.492 -2.299 5.811 1.00 0.00 H new ATOM 0 HA PHE A 45 5.468 -1.009 4.321 1.00 0.00 H new ATOM 0 HB2 PHE A 45 8.011 -0.056 3.034 1.00 0.00 H new ATOM 0 HB3 PHE A 45 6.515 0.813 3.314 1.00 0.00 H new ATOM 0 HD1 PHE A 45 6.155 0.217 6.254 1.00 0.00 H new ATOM 0 HD2 PHE A 45 9.592 1.380 4.022 1.00 0.00 H new ATOM 0 HE1 PHE A 45 7.122 1.227 8.273 1.00 0.00 H new ATOM 0 HE2 PHE A 45 10.562 2.391 6.039 1.00 0.00 H new ATOM 0 HZ PHE A 45 9.329 2.316 8.170 1.00 0.00 H new ATOM 757 N GLY A 46 5.655 -1.595 1.768 1.00 0.00 N ATOM 758 CA GLY A 46 5.544 -2.297 0.503 1.00 0.00 C ATOM 759 C GLY A 46 5.460 -1.351 -0.680 1.00 0.00 C ATOM 760 O GLY A 46 5.807 -0.176 -0.567 1.00 0.00 O ATOM 0 H GLY A 46 5.078 -0.757 1.844 1.00 0.00 H new ATOM 0 HA2 GLY A 46 6.405 -2.954 0.379 1.00 0.00 H new ATOM 0 HA3 GLY A 46 4.658 -2.932 0.520 1.00 0.00 H new ATOM 764 N PHE A 47 5.000 -1.864 -1.816 1.00 0.00 N ATOM 765 CA PHE A 47 4.873 -1.054 -3.023 1.00 0.00 C ATOM 766 C PHE A 47 3.585 -1.385 -3.772 1.00 0.00 C ATOM 767 O PHE A 47 2.991 -2.444 -3.569 1.00 0.00 O ATOM 768 CB PHE A 47 6.083 -1.273 -3.937 1.00 0.00 C ATOM 769 CG PHE A 47 6.958 -0.059 -4.072 1.00 0.00 C ATOM 770 CD1 PHE A 47 6.506 1.064 -4.746 1.00 0.00 C ATOM 771 CD2 PHE A 47 8.231 -0.044 -3.527 1.00 0.00 C ATOM 772 CE1 PHE A 47 7.309 2.182 -4.872 1.00 0.00 C ATOM 773 CE2 PHE A 47 9.038 1.071 -3.651 1.00 0.00 C ATOM 774 CZ PHE A 47 8.577 2.186 -4.325 1.00 0.00 C ATOM 0 H PHE A 47 4.709 -2.835 -1.927 1.00 0.00 H new ATOM 0 HA PHE A 47 4.835 -0.006 -2.725 1.00 0.00 H new ATOM 0 HB2 PHE A 47 6.678 -2.099 -3.547 1.00 0.00 H new ATOM 0 HB3 PHE A 47 5.733 -1.571 -4.925 1.00 0.00 H new ATOM 0 HD1 PHE A 47 5.516 1.066 -5.177 1.00 0.00 H new ATOM 0 HD2 PHE A 47 8.597 -0.913 -3.000 1.00 0.00 H new ATOM 0 HE1 PHE A 47 6.945 3.052 -5.398 1.00 0.00 H new ATOM 0 HE2 PHE A 47 10.029 1.071 -3.221 1.00 0.00 H new ATOM 0 HZ PHE A 47 9.207 3.058 -4.424 1.00 0.00 H new ATOM 784 N VAL A 48 3.164 -0.472 -4.642 1.00 0.00 N ATOM 785 CA VAL A 48 1.950 -0.665 -5.427 1.00 0.00 C ATOM 786 C VAL A 48 2.072 0.002 -6.793 1.00 0.00 C ATOM 787 O VAL A 48 2.649 1.082 -6.918 1.00 0.00 O ATOM 788 CB VAL A 48 0.714 -0.100 -4.700 1.00 0.00 C ATOM 789 CG1 VAL A 48 -0.558 -0.439 -5.462 1.00 0.00 C ATOM 790 CG2 VAL A 48 0.643 -0.626 -3.275 1.00 0.00 C ATOM 0 H VAL A 48 3.646 0.409 -4.821 1.00 0.00 H new ATOM 0 HA VAL A 48 1.823 -1.740 -5.558 1.00 0.00 H new ATOM 0 HB VAL A 48 0.808 0.985 -4.659 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -1.419 -0.031 -4.932 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.509 -0.007 -6.462 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -0.659 -1.522 -5.539 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -0.236 -0.215 -2.779 1.00 0.00 H new ATOM 0 HG22 VAL A 48 0.575 -1.714 -3.292 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.539 -0.326 -2.732 1.00 0.00 H new ATOM 800 N GLU A 49 1.527 -0.649 -7.816 1.00 0.00 N ATOM 801 CA GLU A 49 1.577 -0.120 -9.174 1.00 0.00 C ATOM 802 C GLU A 49 0.204 0.381 -9.613 1.00 0.00 C ATOM 803 O GLU A 49 -0.737 -0.400 -9.754 1.00 0.00 O ATOM 804 CB GLU A 49 2.080 -1.192 -10.143 1.00 0.00 C ATOM 805 CG GLU A 49 3.129 -0.686 -11.119 1.00 0.00 C ATOM 806 CD GLU A 49 4.260 -1.674 -11.324 1.00 0.00 C ATOM 807 OE1 GLU A 49 4.009 -2.752 -11.904 1.00 0.00 O ATOM 808 OE2 GLU A 49 5.396 -1.372 -10.904 1.00 0.00 O ATOM 0 H GLU A 49 1.046 -1.544 -7.730 1.00 0.00 H new ATOM 0 HA GLU A 49 2.270 0.721 -9.186 1.00 0.00 H new ATOM 0 HB2 GLU A 49 2.498 -2.020 -9.570 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.234 -1.588 -10.705 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.656 -0.477 -12.079 1.00 0.00 H new ATOM 0 HG3 GLU A 49 3.537 0.256 -10.752 1.00 0.00 H new ATOM 815 N MET A 50 0.098 1.688 -9.830 1.00 0.00 N ATOM 816 CA MET A 50 -1.159 2.293 -10.255 1.00 0.00 C ATOM 817 C MET A 50 -0.907 3.464 -11.199 1.00 0.00 C ATOM 818 O MET A 50 0.237 3.767 -11.537 1.00 0.00 O ATOM 819 CB MET A 50 -1.958 2.765 -9.039 1.00 0.00 C ATOM 820 CG MET A 50 -2.457 1.628 -8.163 1.00 0.00 C ATOM 821 SD MET A 50 -3.989 2.034 -7.303 1.00 0.00 S ATOM 822 CE MET A 50 -3.570 3.623 -6.591 1.00 0.00 C ATOM 0 H MET A 50 0.867 2.348 -9.719 1.00 0.00 H new ATOM 0 HA MET A 50 -1.736 1.538 -10.789 1.00 0.00 H new ATOM 0 HB2 MET A 50 -1.334 3.428 -8.440 1.00 0.00 H new ATOM 0 HB3 MET A 50 -2.811 3.352 -9.380 1.00 0.00 H new ATOM 0 HG2 MET A 50 -2.614 0.742 -8.779 1.00 0.00 H new ATOM 0 HG3 MET A 50 -1.690 1.375 -7.431 1.00 0.00 H new ATOM 0 HE1 MET A 50 -4.467 4.085 -6.179 1.00 0.00 H new ATOM 0 HE2 MET A 50 -2.837 3.484 -5.797 1.00 0.00 H new ATOM 0 HE3 MET A 50 -3.151 4.268 -7.363 1.00 0.00 H new ATOM 832 N GLN A 51 -1.983 4.119 -11.622 1.00 0.00 N ATOM 833 CA GLN A 51 -1.880 5.257 -12.529 1.00 0.00 C ATOM 834 C GLN A 51 -1.400 6.502 -11.787 1.00 0.00 C ATOM 835 O GLN A 51 -1.653 6.663 -10.593 1.00 0.00 O ATOM 836 CB GLN A 51 -3.230 5.529 -13.196 1.00 0.00 C ATOM 837 CG GLN A 51 -3.172 5.513 -14.715 1.00 0.00 C ATOM 838 CD GLN A 51 -3.959 6.647 -15.341 1.00 0.00 C ATOM 839 OE1 GLN A 51 -5.005 6.429 -15.952 1.00 0.00 O ATOM 840 NE2 GLN A 51 -3.458 7.868 -15.192 1.00 0.00 N ATOM 0 H GLN A 51 -2.937 3.881 -11.351 1.00 0.00 H new ATOM 0 HA GLN A 51 -1.148 5.013 -13.299 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -3.949 4.782 -12.860 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -3.601 6.499 -12.865 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -2.132 5.577 -15.036 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -3.560 4.562 -15.080 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -2.588 8.003 -14.678 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -3.944 8.671 -15.592 1.00 0.00 H new ATOM 849 N GLU A 52 -0.707 7.381 -12.505 1.00 0.00 N ATOM 850 CA GLU A 52 -0.191 8.611 -11.918 1.00 0.00 C ATOM 851 C GLU A 52 -1.328 9.483 -11.394 1.00 0.00 C ATOM 852 O GLU A 52 -1.196 10.136 -10.357 1.00 0.00 O ATOM 853 CB GLU A 52 0.627 9.390 -12.950 1.00 0.00 C ATOM 854 CG GLU A 52 -0.178 9.822 -14.164 1.00 0.00 C ATOM 855 CD GLU A 52 0.636 9.798 -15.443 1.00 0.00 C ATOM 856 OE1 GLU A 52 1.173 8.723 -15.785 1.00 0.00 O ATOM 857 OE2 GLU A 52 0.737 10.854 -16.103 1.00 0.00 O ATOM 0 H GLU A 52 -0.490 7.263 -13.495 1.00 0.00 H new ATOM 0 HA GLU A 52 0.453 8.341 -11.081 1.00 0.00 H new ATOM 0 HB2 GLU A 52 1.052 10.273 -12.473 1.00 0.00 H new ATOM 0 HB3 GLU A 52 1.463 8.773 -13.280 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -1.041 9.166 -14.275 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -0.562 10.829 -14.001 1.00 0.00 H new ATOM 864 N GLU A 53 -2.443 9.490 -12.115 1.00 0.00 N ATOM 865 CA GLU A 53 -3.603 10.282 -11.723 1.00 0.00 C ATOM 866 C GLU A 53 -4.166 9.804 -10.389 1.00 0.00 C ATOM 867 O GLU A 53 -4.716 10.591 -9.618 1.00 0.00 O ATOM 868 CB GLU A 53 -4.686 10.208 -12.802 1.00 0.00 C ATOM 869 CG GLU A 53 -5.884 11.101 -12.523 1.00 0.00 C ATOM 870 CD GLU A 53 -6.386 11.807 -13.768 1.00 0.00 C ATOM 871 OE1 GLU A 53 -5.555 12.392 -14.495 1.00 0.00 O ATOM 872 OE2 GLU A 53 -7.610 11.777 -14.015 1.00 0.00 O ATOM 0 H GLU A 53 -2.569 8.956 -12.975 1.00 0.00 H new ATOM 0 HA GLU A 53 -3.281 11.317 -11.610 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -4.251 10.487 -13.762 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -5.026 9.176 -12.894 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -6.690 10.501 -12.100 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -5.612 11.844 -11.773 1.00 0.00 H new ATOM 879 N SER A 54 -4.026 8.509 -10.122 1.00 0.00 N ATOM 880 CA SER A 54 -4.522 7.928 -8.880 1.00 0.00 C ATOM 881 C SER A 54 -3.497 8.076 -7.760 1.00 0.00 C ATOM 882 O SER A 54 -3.854 8.277 -6.602 1.00 0.00 O ATOM 883 CB SER A 54 -4.862 6.450 -9.086 1.00 0.00 C ATOM 884 OG SER A 54 -6.097 6.119 -8.473 1.00 0.00 O ATOM 0 H SER A 54 -3.574 7.843 -10.749 1.00 0.00 H new ATOM 0 HA SER A 54 -5.425 8.466 -8.592 1.00 0.00 H new ATOM 0 HB2 SER A 54 -4.912 6.231 -10.153 1.00 0.00 H new ATOM 0 HB3 SER A 54 -4.068 5.830 -8.670 1.00 0.00 H new ATOM 0 HG SER A 54 -6.292 5.170 -8.621 1.00 0.00 H new ATOM 890 N VAL A 55 -2.221 7.975 -8.117 1.00 0.00 N ATOM 891 CA VAL A 55 -1.140 8.097 -7.144 1.00 0.00 C ATOM 892 C VAL A 55 -1.200 9.437 -6.414 1.00 0.00 C ATOM 893 O VAL A 55 -0.805 9.540 -5.254 1.00 0.00 O ATOM 894 CB VAL A 55 0.238 7.951 -7.819 1.00 0.00 C ATOM 895 CG1 VAL A 55 1.353 7.963 -6.783 1.00 0.00 C ATOM 896 CG2 VAL A 55 0.291 6.682 -8.659 1.00 0.00 C ATOM 0 H VAL A 55 -1.909 7.809 -9.074 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.271 7.291 -6.422 1.00 0.00 H new ATOM 0 HB VAL A 55 0.386 8.804 -8.481 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.316 7.859 -7.283 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.330 8.904 -6.234 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.213 7.135 -6.089 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.271 6.596 -9.127 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.117 5.816 -8.021 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.477 6.724 -9.431 1.00 0.00 H new ATOM 906 N SER A 56 -1.695 10.460 -7.102 1.00 0.00 N ATOM 907 CA SER A 56 -1.801 11.793 -6.518 1.00 0.00 C ATOM 908 C SER A 56 -3.097 11.949 -5.725 1.00 0.00 C ATOM 909 O SER A 56 -3.187 12.791 -4.831 1.00 0.00 O ATOM 910 CB SER A 56 -1.731 12.858 -7.615 1.00 0.00 C ATOM 911 OG SER A 56 -0.952 13.967 -7.199 1.00 0.00 O ATOM 0 H SER A 56 -2.029 10.392 -8.063 1.00 0.00 H new ATOM 0 HA SER A 56 -0.964 11.925 -5.833 1.00 0.00 H new ATOM 0 HB2 SER A 56 -1.301 12.426 -8.519 1.00 0.00 H new ATOM 0 HB3 SER A 56 -2.738 13.191 -7.868 1.00 0.00 H new ATOM 0 HG SER A 56 -0.921 14.633 -7.917 1.00 0.00 H new ATOM 917 N GLU A 57 -4.096 11.137 -6.054 1.00 0.00 N ATOM 918 CA GLU A 57 -5.383 11.190 -5.369 1.00 0.00 C ATOM 919 C GLU A 57 -5.398 10.250 -4.170 1.00 0.00 C ATOM 920 O GLU A 57 -5.913 10.592 -3.105 1.00 0.00 O ATOM 921 CB GLU A 57 -6.513 10.828 -6.334 1.00 0.00 C ATOM 922 CG GLU A 57 -7.751 11.697 -6.177 1.00 0.00 C ATOM 923 CD GLU A 57 -8.567 11.784 -7.451 1.00 0.00 C ATOM 924 OE1 GLU A 57 -8.663 10.764 -8.165 1.00 0.00 O ATOM 925 OE2 GLU A 57 -9.110 12.872 -7.734 1.00 0.00 O ATOM 0 H GLU A 57 -4.039 10.434 -6.791 1.00 0.00 H new ATOM 0 HA GLU A 57 -5.536 12.208 -5.010 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -6.147 10.914 -7.357 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -6.790 9.785 -6.181 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -8.374 11.295 -5.378 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -7.450 12.700 -5.873 1.00 0.00 H new ATOM 932 N ALA A 58 -4.832 9.063 -4.353 1.00 0.00 N ATOM 933 CA ALA A 58 -4.778 8.068 -3.290 1.00 0.00 C ATOM 934 C ALA A 58 -4.052 8.616 -2.067 1.00 0.00 C ATOM 935 O ALA A 58 -4.653 8.805 -1.011 1.00 0.00 O ATOM 936 CB ALA A 58 -4.100 6.801 -3.792 1.00 0.00 C ATOM 0 H ALA A 58 -4.403 8.766 -5.230 1.00 0.00 H new ATOM 0 HA ALA A 58 -5.799 7.826 -2.994 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -4.065 6.064 -2.989 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -4.663 6.395 -4.632 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -3.085 7.035 -4.114 1.00 0.00 H new ATOM 942 N ILE A 59 -2.757 8.869 -2.219 1.00 0.00 N ATOM 943 CA ILE A 59 -1.945 9.396 -1.127 1.00 0.00 C ATOM 944 C ILE A 59 -2.502 10.723 -0.612 1.00 0.00 C ATOM 945 O ILE A 59 -2.226 11.124 0.518 1.00 0.00 O ATOM 946 CB ILE A 59 -0.479 9.592 -1.571 1.00 0.00 C ATOM 947 CG1 ILE A 59 0.124 8.256 -2.011 1.00 0.00 C ATOM 948 CG2 ILE A 59 0.350 10.206 -0.449 1.00 0.00 C ATOM 949 CD1 ILE A 59 0.762 8.303 -3.382 1.00 0.00 C ATOM 0 H ILE A 59 -2.246 8.718 -3.089 1.00 0.00 H new ATOM 0 HA ILE A 59 -1.978 8.664 -0.320 1.00 0.00 H new ATOM 0 HB ILE A 59 -0.466 10.279 -2.417 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.872 7.947 -1.281 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -0.657 7.496 -2.009 1.00 0.00 H new ATOM 0 HG21 ILE A 59 1.379 10.334 -0.785 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -0.067 11.176 -0.177 1.00 0.00 H new ATOM 0 HG23 ILE A 59 0.332 9.547 0.419 1.00 0.00 H new ATOM 0 HD11 ILE A 59 1.168 7.322 -3.628 1.00 0.00 H new ATOM 0 HD12 ILE A 59 0.012 8.582 -4.123 1.00 0.00 H new ATOM 0 HD13 ILE A 59 1.566 9.039 -3.384 1.00 0.00 H new ATOM 961 N ALA A 60 -3.283 11.399 -1.447 1.00 0.00 N ATOM 962 CA ALA A 60 -3.872 12.679 -1.073 1.00 0.00 C ATOM 963 C ALA A 60 -4.929 12.514 0.015 1.00 0.00 C ATOM 964 O ALA A 60 -4.865 13.163 1.058 1.00 0.00 O ATOM 965 CB ALA A 60 -4.474 13.357 -2.295 1.00 0.00 C ATOM 0 H ALA A 60 -3.523 11.082 -2.386 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.077 13.307 -0.670 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -4.911 14.312 -2.003 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.695 13.526 -3.038 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -5.248 12.719 -2.721 1.00 0.00 H new ATOM 971 N LYS A 61 -5.906 11.649 -0.239 1.00 0.00 N ATOM 972 CA LYS A 61 -6.981 11.409 0.719 1.00 0.00 C ATOM 973 C LYS A 61 -6.631 10.277 1.679 1.00 0.00 C ATOM 974 O LYS A 61 -7.083 10.262 2.824 1.00 0.00 O ATOM 975 CB LYS A 61 -8.281 11.082 -0.019 1.00 0.00 C ATOM 976 CG LYS A 61 -9.034 12.311 -0.502 1.00 0.00 C ATOM 977 CD LYS A 61 -8.488 12.814 -1.832 1.00 0.00 C ATOM 978 CE LYS A 61 -9.549 12.782 -2.920 1.00 0.00 C ATOM 979 NZ LYS A 61 -9.817 11.396 -3.395 1.00 0.00 N ATOM 0 H LYS A 61 -5.976 11.103 -1.098 1.00 0.00 H new ATOM 0 HA LYS A 61 -7.115 12.319 1.304 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -8.053 10.447 -0.875 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -8.929 10.506 0.642 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -10.092 12.072 -0.609 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -8.960 13.101 0.245 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -8.119 13.833 -1.713 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -7.639 12.200 -2.133 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -10.472 13.220 -2.540 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -9.226 13.397 -3.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -10.205 11.428 -4.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -8.931 10.852 -3.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -10.503 10.938 -2.761 1.00 0.00 H new ATOM 993 N LEU A 62 -5.832 9.329 1.204 1.00 0.00 N ATOM 994 CA LEU A 62 -5.433 8.189 2.021 1.00 0.00 C ATOM 995 C LEU A 62 -4.417 8.599 3.084 1.00 0.00 C ATOM 996 O LEU A 62 -4.746 8.693 4.266 1.00 0.00 O ATOM 997 CB LEU A 62 -4.848 7.085 1.137 1.00 0.00 C ATOM 998 CG LEU A 62 -5.824 6.478 0.129 1.00 0.00 C ATOM 999 CD1 LEU A 62 -5.132 5.417 -0.712 1.00 0.00 C ATOM 1000 CD2 LEU A 62 -7.031 5.890 0.846 1.00 0.00 C ATOM 0 H LEU A 62 -5.448 9.327 0.259 1.00 0.00 H new ATOM 0 HA LEU A 62 -6.321 7.811 2.528 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.994 7.490 0.594 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.470 6.289 1.778 1.00 0.00 H new ATOM 0 HG LEU A 62 -6.170 7.269 -0.536 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -5.842 4.996 -1.424 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -4.300 5.867 -1.253 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -4.757 4.626 -0.063 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -7.716 5.462 0.114 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -6.702 5.111 1.534 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -7.541 6.675 1.404 1.00 0.00 H new ATOM 1012 N ASP A 63 -3.181 8.838 2.655 1.00 0.00 N ATOM 1013 CA ASP A 63 -2.115 9.233 3.570 1.00 0.00 C ATOM 1014 C ASP A 63 -2.493 10.497 4.340 1.00 0.00 C ATOM 1015 O ASP A 63 -3.012 11.455 3.767 1.00 0.00 O ATOM 1016 CB ASP A 63 -0.806 9.434 2.789 1.00 0.00 C ATOM 1017 CG ASP A 63 -0.002 10.639 3.250 1.00 0.00 C ATOM 1018 OD1 ASP A 63 0.325 10.709 4.454 1.00 0.00 O ATOM 1019 OD2 ASP A 63 0.300 11.508 2.406 1.00 0.00 O ATOM 0 H ASP A 63 -2.893 8.765 1.679 1.00 0.00 H new ATOM 0 HA ASP A 63 -1.969 8.437 4.300 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -0.192 8.539 2.888 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -1.038 9.546 1.730 1.00 0.00 H new ATOM 1024 N ASN A 64 -2.225 10.488 5.643 1.00 0.00 N ATOM 1025 CA ASN A 64 -2.530 11.630 6.497 1.00 0.00 C ATOM 1026 C ASN A 64 -2.132 11.347 7.942 1.00 0.00 C ATOM 1027 O ASN A 64 -1.632 12.226 8.643 1.00 0.00 O ATOM 1028 CB ASN A 64 -4.020 11.971 6.425 1.00 0.00 C ATOM 1029 CG ASN A 64 -4.274 13.465 6.486 1.00 0.00 C ATOM 1030 OD1 ASN A 64 -4.373 14.132 5.457 1.00 0.00 O ATOM 1031 ND2 ASN A 64 -4.381 13.997 7.699 1.00 0.00 N ATOM 0 H ASN A 64 -1.797 9.701 6.130 1.00 0.00 H new ATOM 0 HA ASN A 64 -1.954 12.483 6.137 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -4.437 11.572 5.501 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -4.542 11.482 7.248 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -4.552 14.997 7.804 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -4.292 13.405 8.525 1.00 0.00 H new ATOM 1038 N THR A 65 -2.359 10.113 8.381 1.00 0.00 N ATOM 1039 CA THR A 65 -2.024 9.712 9.743 1.00 0.00 C ATOM 1040 C THR A 65 -1.901 8.195 9.846 1.00 0.00 C ATOM 1041 O THR A 65 -2.031 7.483 8.851 1.00 0.00 O ATOM 1042 CB THR A 65 -3.082 10.220 10.723 1.00 0.00 C ATOM 1043 OG1 THR A 65 -4.318 10.429 10.063 1.00 0.00 O ATOM 1044 CG2 THR A 65 -2.697 11.519 11.398 1.00 0.00 C ATOM 0 H THR A 65 -2.773 9.374 7.814 1.00 0.00 H new ATOM 0 HA THR A 65 -1.062 10.155 10.001 1.00 0.00 H new ATOM 0 HB THR A 65 -3.167 9.444 11.484 1.00 0.00 H new ATOM 0 HG1 THR A 65 -4.982 10.752 10.707 1.00 0.00 H new ATOM 0 HG21 THR A 65 -3.491 11.824 12.080 1.00 0.00 H new ATOM 0 HG22 THR A 65 -1.772 11.378 11.957 1.00 0.00 H new ATOM 0 HG23 THR A 65 -2.551 12.292 10.643 1.00 0.00 H new ATOM 1052 N ASP A 66 -1.648 7.709 11.056 1.00 0.00 N ATOM 1053 CA ASP A 66 -1.506 6.276 11.288 1.00 0.00 C ATOM 1054 C ASP A 66 -2.760 5.701 11.937 1.00 0.00 C ATOM 1055 O ASP A 66 -3.064 5.997 13.094 1.00 0.00 O ATOM 1056 CB ASP A 66 -0.285 6.001 12.170 1.00 0.00 C ATOM 1057 CG ASP A 66 0.822 5.288 11.419 1.00 0.00 C ATOM 1058 OD1 ASP A 66 0.603 4.135 10.994 1.00 0.00 O ATOM 1059 OD2 ASP A 66 1.907 5.885 11.253 1.00 0.00 O ATOM 0 H ASP A 66 -1.537 8.285 11.890 1.00 0.00 H new ATOM 0 HA ASP A 66 -1.366 5.789 10.323 1.00 0.00 H new ATOM 0 HB2 ASP A 66 0.095 6.944 12.563 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -0.587 5.397 13.026 1.00 0.00 H new ATOM 1064 N PHE A 67 -3.487 4.880 11.187 1.00 0.00 N ATOM 1065 CA PHE A 67 -4.708 4.265 11.692 1.00 0.00 C ATOM 1066 C PHE A 67 -4.721 2.766 11.409 1.00 0.00 C ATOM 1067 O PHE A 67 -3.718 2.197 10.975 1.00 0.00 O ATOM 1068 CB PHE A 67 -5.936 4.928 11.064 1.00 0.00 C ATOM 1069 CG PHE A 67 -6.686 5.820 12.012 1.00 0.00 C ATOM 1070 CD1 PHE A 67 -7.360 5.286 13.098 1.00 0.00 C ATOM 1071 CD2 PHE A 67 -6.716 7.191 11.818 1.00 0.00 C ATOM 1072 CE1 PHE A 67 -8.052 6.104 13.973 1.00 0.00 C ATOM 1073 CE2 PHE A 67 -7.405 8.015 12.689 1.00 0.00 C ATOM 1074 CZ PHE A 67 -8.073 7.469 13.768 1.00 0.00 C ATOM 0 H PHE A 67 -3.252 4.625 10.228 1.00 0.00 H new ATOM 0 HA PHE A 67 -4.739 4.411 12.772 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -5.621 5.513 10.200 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -6.609 4.153 10.697 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -7.345 4.219 13.263 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -6.195 7.622 10.976 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -8.575 5.675 14.815 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -7.421 9.083 12.526 1.00 0.00 H new ATOM 0 HZ PHE A 67 -8.611 8.110 14.451 1.00 0.00 H new ATOM 1084 N MET A 68 -5.861 2.131 11.658 1.00 0.00 N ATOM 1085 CA MET A 68 -6.003 0.697 11.431 1.00 0.00 C ATOM 1086 C MET A 68 -6.562 0.419 10.038 1.00 0.00 C ATOM 1087 O MET A 68 -7.470 -0.396 9.873 1.00 0.00 O ATOM 1088 CB MET A 68 -6.916 0.079 12.494 1.00 0.00 C ATOM 1089 CG MET A 68 -6.630 0.572 13.904 1.00 0.00 C ATOM 1090 SD MET A 68 -7.261 -0.546 15.170 1.00 0.00 S ATOM 1091 CE MET A 68 -6.098 -1.901 15.035 1.00 0.00 C ATOM 0 H MET A 68 -6.700 2.586 12.017 1.00 0.00 H new ATOM 0 HA MET A 68 -5.015 0.243 11.503 1.00 0.00 H new ATOM 0 HB2 MET A 68 -7.953 0.302 12.244 1.00 0.00 H new ATOM 0 HB3 MET A 68 -6.807 -1.005 12.468 1.00 0.00 H new ATOM 0 HG2 MET A 68 -5.554 0.690 14.032 1.00 0.00 H new ATOM 0 HG3 MET A 68 -7.077 1.557 14.038 1.00 0.00 H new ATOM 0 HE1 MET A 68 -6.120 -2.492 15.951 1.00 0.00 H new ATOM 0 HE2 MET A 68 -6.371 -2.532 14.190 1.00 0.00 H new ATOM 0 HE3 MET A 68 -5.094 -1.505 14.882 1.00 0.00 H new ATOM 1101 N GLY A 69 -6.013 1.102 9.039 1.00 0.00 N ATOM 1102 CA GLY A 69 -6.470 0.916 7.674 1.00 0.00 C ATOM 1103 C GLY A 69 -7.457 1.980 7.243 1.00 0.00 C ATOM 1104 O GLY A 69 -8.433 1.689 6.551 1.00 0.00 O ATOM 0 H GLY A 69 -5.260 1.781 9.150 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -5.612 0.928 7.002 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -6.935 -0.065 7.580 1.00 0.00 H new ATOM 1108 N ARG A 70 -7.205 3.219 7.652 1.00 0.00 N ATOM 1109 CA ARG A 70 -8.082 4.333 7.305 1.00 0.00 C ATOM 1110 C ARG A 70 -7.328 5.400 6.517 1.00 0.00 C ATOM 1111 O ARG A 70 -7.863 5.978 5.571 1.00 0.00 O ATOM 1112 CB ARG A 70 -8.686 4.945 8.572 1.00 0.00 C ATOM 1113 CG ARG A 70 -10.166 4.645 8.745 1.00 0.00 C ATOM 1114 CD ARG A 70 -10.425 3.788 9.974 1.00 0.00 C ATOM 1115 NE ARG A 70 -10.603 4.599 11.177 1.00 0.00 N ATOM 1116 CZ ARG A 70 -11.671 5.360 11.406 1.00 0.00 C ATOM 1117 NH1 ARG A 70 -12.660 5.413 10.522 1.00 0.00 N ATOM 1118 NH2 ARG A 70 -11.752 6.070 12.523 1.00 0.00 N ATOM 0 H ARG A 70 -6.401 3.478 8.224 1.00 0.00 H new ATOM 0 HA ARG A 70 -8.885 3.948 6.676 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -8.144 4.571 9.440 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -8.543 6.025 8.548 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -10.720 5.580 8.830 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -10.540 4.133 7.858 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -11.315 3.180 9.811 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -9.591 3.101 10.120 1.00 0.00 H new ATOM 0 HE ARG A 70 -9.866 4.581 11.882 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -12.604 4.869 9.661 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -13.476 5.998 10.704 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -10.996 6.033 13.207 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -12.570 6.653 12.698 1.00 0.00 H new ATOM 1132 N THR A 71 -6.085 5.660 6.912 1.00 0.00 N ATOM 1133 CA THR A 71 -5.266 6.661 6.239 1.00 0.00 C ATOM 1134 C THR A 71 -3.849 6.146 5.999 1.00 0.00 C ATOM 1135 O THR A 71 -3.323 6.250 4.891 1.00 0.00 O ATOM 1136 CB THR A 71 -5.222 7.958 7.055 1.00 0.00 C ATOM 1137 OG1 THR A 71 -4.124 8.763 6.661 1.00 0.00 O ATOM 1138 CG2 THR A 71 -5.109 7.731 8.548 1.00 0.00 C ATOM 0 H THR A 71 -5.624 5.192 7.693 1.00 0.00 H new ATOM 0 HA THR A 71 -5.723 6.867 5.271 1.00 0.00 H new ATOM 0 HB THR A 71 -6.172 8.453 6.852 1.00 0.00 H new ATOM 0 HG1 THR A 71 -3.981 8.672 5.696 1.00 0.00 H new ATOM 0 HG21 THR A 71 -5.083 8.692 9.061 1.00 0.00 H new ATOM 0 HG22 THR A 71 -5.969 7.157 8.895 1.00 0.00 H new ATOM 0 HG23 THR A 71 -4.194 7.180 8.764 1.00 0.00 H new ATOM 1146 N ILE A 72 -3.233 5.593 7.041 1.00 0.00 N ATOM 1147 CA ILE A 72 -1.874 5.069 6.934 1.00 0.00 C ATOM 1148 C ILE A 72 -0.922 6.144 6.414 1.00 0.00 C ATOM 1149 O ILE A 72 -1.351 7.241 6.058 1.00 0.00 O ATOM 1150 CB ILE A 72 -1.810 3.837 6.003 1.00 0.00 C ATOM 1151 CG1 ILE A 72 -3.120 3.045 6.058 1.00 0.00 C ATOM 1152 CG2 ILE A 72 -0.635 2.947 6.382 1.00 0.00 C ATOM 1153 CD1 ILE A 72 -3.128 1.825 5.162 1.00 0.00 C ATOM 0 H ILE A 72 -3.652 5.496 7.966 1.00 0.00 H new ATOM 0 HA ILE A 72 -1.568 4.763 7.935 1.00 0.00 H new ATOM 0 HB ILE A 72 -1.667 4.188 4.981 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -3.303 2.732 7.086 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -3.943 3.700 5.773 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -0.603 2.084 5.717 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.293 3.511 6.289 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -0.752 2.608 7.411 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -4.086 1.314 5.252 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -2.977 2.133 4.127 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -2.327 1.149 5.460 1.00 0.00 H new ATOM 1165 N ARG A 73 0.371 5.833 6.373 1.00 0.00 N ATOM 1166 CA ARG A 73 1.367 6.786 5.897 1.00 0.00 C ATOM 1167 C ARG A 73 1.848 6.421 4.494 1.00 0.00 C ATOM 1168 O ARG A 73 3.010 6.066 4.295 1.00 0.00 O ATOM 1169 CB ARG A 73 2.551 6.841 6.867 1.00 0.00 C ATOM 1170 CG ARG A 73 2.606 8.121 7.687 1.00 0.00 C ATOM 1171 CD ARG A 73 3.398 9.206 6.973 1.00 0.00 C ATOM 1172 NE ARG A 73 4.257 9.951 7.891 1.00 0.00 N ATOM 1173 CZ ARG A 73 5.297 10.685 7.501 1.00 0.00 C ATOM 1174 NH1 ARG A 73 5.611 10.776 6.215 1.00 0.00 N ATOM 1175 NH2 ARG A 73 6.027 11.329 8.403 1.00 0.00 N ATOM 0 H ARG A 73 0.752 4.932 6.663 1.00 0.00 H new ATOM 0 HA ARG A 73 0.902 7.770 5.850 1.00 0.00 H new ATOM 0 HB2 ARG A 73 2.496 5.988 7.543 1.00 0.00 H new ATOM 0 HB3 ARG A 73 3.478 6.741 6.302 1.00 0.00 H new ATOM 0 HG2 ARG A 73 1.593 8.475 7.879 1.00 0.00 H new ATOM 0 HG3 ARG A 73 3.061 7.915 8.656 1.00 0.00 H new ATOM 0 HD2 ARG A 73 4.009 8.754 6.191 1.00 0.00 H new ATOM 0 HD3 ARG A 73 2.709 9.894 6.482 1.00 0.00 H new ATOM 0 HE ARG A 73 4.048 9.906 8.888 1.00 0.00 H new ATOM 0 HH11 ARG A 73 5.054 10.282 5.518 1.00 0.00 H new ATOM 0 HH12 ARG A 73 6.409 11.340 5.924 1.00 0.00 H new ATOM 0 HH21 ARG A 73 5.791 11.261 9.393 1.00 0.00 H new ATOM 0 HH22 ARG A 73 6.824 11.892 8.106 1.00 0.00 H new ATOM 1189 N VAL A 74 0.946 6.512 3.522 1.00 0.00 N ATOM 1190 CA VAL A 74 1.281 6.194 2.139 1.00 0.00 C ATOM 1191 C VAL A 74 1.936 7.386 1.447 1.00 0.00 C ATOM 1192 O VAL A 74 1.758 8.531 1.862 1.00 0.00 O ATOM 1193 CB VAL A 74 0.034 5.762 1.340 1.00 0.00 C ATOM 1194 CG1 VAL A 74 -0.967 6.903 1.235 1.00 0.00 C ATOM 1195 CG2 VAL A 74 0.432 5.264 -0.041 1.00 0.00 C ATOM 0 H VAL A 74 -0.021 6.803 3.666 1.00 0.00 H new ATOM 0 HA VAL A 74 1.985 5.362 2.165 1.00 0.00 H new ATOM 0 HB VAL A 74 -0.446 4.943 1.875 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -1.837 6.573 0.667 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -1.280 7.206 2.234 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -0.503 7.749 0.728 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -0.460 4.964 -0.590 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.940 6.062 -0.583 1.00 0.00 H new ATOM 0 HG23 VAL A 74 1.101 4.410 0.059 1.00 0.00 H new ATOM 1205 N THR A 75 2.697 7.110 0.393 1.00 0.00 N ATOM 1206 CA THR A 75 3.377 8.164 -0.352 1.00 0.00 C ATOM 1207 C THR A 75 3.919 7.634 -1.676 1.00 0.00 C ATOM 1208 O THR A 75 4.399 6.504 -1.753 1.00 0.00 O ATOM 1209 CB THR A 75 4.518 8.750 0.481 1.00 0.00 C ATOM 1210 OG1 THR A 75 5.234 9.722 -0.262 1.00 0.00 O ATOM 1211 CG2 THR A 75 5.512 7.708 0.951 1.00 0.00 C ATOM 0 H THR A 75 2.858 6.168 0.036 1.00 0.00 H new ATOM 0 HA THR A 75 2.651 8.949 -0.566 1.00 0.00 H new ATOM 0 HB THR A 75 4.040 9.194 1.354 1.00 0.00 H new ATOM 0 HG1 THR A 75 5.958 10.086 0.288 1.00 0.00 H new ATOM 0 HG21 THR A 75 6.295 8.190 1.536 1.00 0.00 H new ATOM 0 HG22 THR A 75 5.000 6.970 1.568 1.00 0.00 H new ATOM 0 HG23 THR A 75 5.957 7.214 0.087 1.00 0.00 H new ATOM 1219 N GLU A 76 3.838 8.459 -2.714 1.00 0.00 N ATOM 1220 CA GLU A 76 4.321 8.074 -4.035 1.00 0.00 C ATOM 1221 C GLU A 76 5.842 7.980 -4.053 1.00 0.00 C ATOM 1222 O GLU A 76 6.536 8.863 -3.547 1.00 0.00 O ATOM 1223 CB GLU A 76 3.850 9.080 -5.087 1.00 0.00 C ATOM 1224 CG GLU A 76 4.375 10.488 -4.861 1.00 0.00 C ATOM 1225 CD GLU A 76 4.053 11.423 -6.010 1.00 0.00 C ATOM 1226 OE1 GLU A 76 2.952 11.295 -6.586 1.00 0.00 O ATOM 1227 OE2 GLU A 76 4.899 12.281 -6.331 1.00 0.00 O ATOM 0 H GLU A 76 3.443 9.398 -2.666 1.00 0.00 H new ATOM 0 HA GLU A 76 3.911 7.092 -4.271 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.166 8.737 -6.072 1.00 0.00 H new ATOM 0 HB3 GLU A 76 2.760 9.104 -5.092 1.00 0.00 H new ATOM 0 HG2 GLU A 76 3.947 10.888 -3.942 1.00 0.00 H new ATOM 0 HG3 GLU A 76 5.455 10.451 -4.720 1.00 0.00 H new ATOM 1234 N ALA A 77 6.357 6.903 -4.639 1.00 0.00 N ATOM 1235 CA ALA A 77 7.796 6.695 -4.723 1.00 0.00 C ATOM 1236 C ALA A 77 8.413 7.568 -5.811 1.00 0.00 C ATOM 1237 O ALA A 77 9.634 7.822 -5.743 1.00 0.00 O ATOM 1238 CB ALA A 77 8.102 5.229 -4.986 1.00 0.00 C ATOM 0 H ALA A 77 5.798 6.162 -5.062 1.00 0.00 H new ATOM 0 HA ALA A 77 8.237 6.982 -3.768 1.00 0.00 H new ATOM 0 HB1 ALA A 77 9.181 5.088 -5.046 1.00 0.00 H new ATOM 0 HB2 ALA A 77 7.702 4.622 -4.174 1.00 0.00 H new ATOM 0 HB3 ALA A 77 7.643 4.925 -5.927 1.00 0.00 H new