USER MOD reduce.3.24.130724 H: found=0, std=0, add=848, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 848 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 49 THR OG1 : rot -42:sc= 0.315 USER MOD Set 1.2: B 51 THR OG1 : rot 58:sc= 1.23 USER MOD Set 2.1: A 33 TYR OH : rot 150:sc= 0 USER MOD Set 2.2: B 11 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: B 8 ASN : amide:sc= 0.496 X(o=0.5,f=0.011) USER MOD Set 3.2: B 55 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 49 THR OG1 : rot -38:sc= 0.288 USER MOD Set 4.2: A 51 THR OG1 : rot 64:sc= 1.23 USER MOD Set 5.1: A 8 ASN : amide:sc= 0.751 K(o=0.75,f=0) USER MOD Set 5.2: A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 178:sc= 0 (180deg=-0.00317) USER MOD Single : A 1 MET N :NH3+ -107:sc= 0.452 (180deg=0.0152) USER MOD Single : A 2 GLN : amide:sc= 0.408 X(o=0.41,f=0) USER MOD Single : A 3 TYR OH : rot 84:sc= 0.0199 USER MOD Single : A 4 LYS NZ :NH3+ -168:sc= 0.95 (180deg=0.772) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 156:sc= 1.18 (180deg=0.738) USER MOD Single : A 16 THR OG1 : rot -170:sc= -0.162 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 97:sc= 1.29 USER MOD Single : A 25 THR OG1 : rot -140:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 162:sc= 1.17 (180deg=0.909) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 ASN : amide:sc= 1.56 K(o=1.6,f=-4.7!) USER MOD Single : A 37 ASN : amide:sc= 0.79 K(o=0.79,f=-3.6!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot -153:sc= 1.29 USER MOD Single : A 50 LYS NZ :NH3+ 154:sc= 1.17 (180deg=0.767) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : B 1 MET CE :methyl 177:sc=-0.00101 (180deg=-0.0273) USER MOD Single : B 1 MET N :NH3+ 177:sc= 0.763 (180deg=0.758) USER MOD Single : B 2 GLN : amide:sc= 0.42 X(o=0.42,f=0) USER MOD Single : B 3 TYR OH : rot 180:sc= 0 USER MOD Single : B 4 LYS NZ :NH3+ -179:sc= 0.716 (180deg=0.655) USER MOD Single : B 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 16 THR OG1 : rot 180:sc= -0.105 USER MOD Single : B 17 THR OG1 : rot 180:sc= 0 USER MOD Single : B 18 THR OG1 : rot 84:sc= 1.21 USER MOD Single : B 25 THR OG1 : rot -130:sc= 0 USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 31 LYS NZ :NH3+ 165:sc= 1.18 (180deg=0.997) USER MOD Single : B 32 GLN : amide:sc= -0.114 X(o=-0.11,f=-0.35) USER MOD Single : B 33 TYR OH : rot 150:sc= 0 USER MOD Single : B 35 ASN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : B 37 ASN : amide:sc= 0.259 X(o=0.26,f=-0.084) USER MOD Single : B 44 THR OG1 : rot 180:sc= 0 USER MOD Single : B 45 TYR OH : rot 180:sc= 0 USER MOD Single : B 50 LYS NZ :NH3+ 174:sc= 1.24 (180deg=1.15) USER MOD Single : B 53 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.175 8.824 -17.304 1.00 0.00 N ATOM 2 CA MET A 1 -5.437 8.247 -16.767 1.00 0.00 C ATOM 3 C MET A 1 -5.229 7.658 -15.370 1.00 0.00 C ATOM 4 O MET A 1 -4.092 7.477 -14.933 1.00 0.00 O ATOM 5 CB MET A 1 -6.070 7.223 -17.735 1.00 0.00 C ATOM 6 CG MET A 1 -5.302 5.900 -17.874 1.00 0.00 C ATOM 7 SD MET A 1 -6.100 4.662 -18.936 1.00 0.00 S ATOM 8 CE MET A 1 -5.806 5.378 -20.577 1.00 0.00 C ATOM 0 H1 MET A 1 -4.234 9.862 -17.288 1.00 0.00 H new ATOM 0 H2 MET A 1 -3.374 8.513 -16.718 1.00 0.00 H new ATOM 0 H3 MET A 1 -4.034 8.500 -18.282 1.00 0.00 H new ATOM 0 HA MET A 1 -6.150 9.066 -16.674 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.083 7.004 -17.397 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.155 7.682 -18.720 1.00 0.00 H new ATOM 0 HG2 MET A 1 -4.309 6.113 -18.271 1.00 0.00 H new ATOM 0 HG3 MET A 1 -5.163 5.471 -16.882 1.00 0.00 H new ATOM 0 HE1 MET A 1 -6.208 4.713 -21.341 1.00 0.00 H new ATOM 0 HE2 MET A 1 -6.299 6.348 -20.644 1.00 0.00 H new ATOM 0 HE3 MET A 1 -4.735 5.504 -20.732 1.00 0.00 H new ATOM 20 N GLN A 2 -6.320 7.336 -14.669 1.00 0.00 N ATOM 21 CA GLN A 2 -6.287 6.626 -13.379 1.00 0.00 C ATOM 22 C GLN A 2 -5.922 5.138 -13.574 1.00 0.00 C ATOM 23 O GLN A 2 -6.495 4.457 -14.428 1.00 0.00 O ATOM 24 CB GLN A 2 -7.664 6.728 -12.692 1.00 0.00 C ATOM 25 CG GLN A 2 -7.627 6.412 -11.187 1.00 0.00 C ATOM 26 CD GLN A 2 -7.476 7.665 -10.352 1.00 0.00 C ATOM 27 OE1 GLN A 2 -8.451 8.295 -9.962 1.00 0.00 O ATOM 28 NE2 GLN A 2 -6.262 8.061 -10.053 1.00 0.00 N ATOM 0 H GLN A 2 -7.264 7.562 -14.982 1.00 0.00 H new ATOM 0 HA GLN A 2 -5.525 7.092 -12.754 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -8.058 7.735 -12.834 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -8.356 6.043 -13.182 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -8.543 5.894 -10.902 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -6.799 5.734 -10.978 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -5.456 7.529 -10.383 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -6.123 8.901 -9.491 1.00 0.00 H new ATOM 37 N TYR A 3 -4.990 4.634 -12.765 1.00 0.00 N ATOM 38 CA TYR A 3 -4.639 3.210 -12.634 1.00 0.00 C ATOM 39 C TYR A 3 -4.746 2.736 -11.173 1.00 0.00 C ATOM 40 O TYR A 3 -4.621 3.542 -10.246 1.00 0.00 O ATOM 41 CB TYR A 3 -3.225 2.983 -13.177 1.00 0.00 C ATOM 42 CG TYR A 3 -3.066 3.224 -14.669 1.00 0.00 C ATOM 43 CD1 TYR A 3 -3.352 2.193 -15.584 1.00 0.00 C ATOM 44 CD2 TYR A 3 -2.609 4.471 -15.144 1.00 0.00 C ATOM 45 CE1 TYR A 3 -3.185 2.408 -16.965 1.00 0.00 C ATOM 46 CE2 TYR A 3 -2.428 4.678 -16.524 1.00 0.00 C ATOM 47 CZ TYR A 3 -2.725 3.650 -17.433 1.00 0.00 C ATOM 48 OH TYR A 3 -2.573 3.864 -18.770 1.00 0.00 O ATOM 0 H TYR A 3 -4.431 5.229 -12.154 1.00 0.00 H new ATOM 0 HA TYR A 3 -5.348 2.621 -13.216 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -2.537 3.638 -12.643 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -2.927 1.958 -12.955 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -3.700 1.235 -15.226 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -2.398 5.269 -14.447 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -3.411 1.617 -17.665 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -2.061 5.628 -16.884 1.00 0.00 H new ATOM 0 HH TYR A 3 -3.434 4.122 -19.160 1.00 0.00 H new ATOM 58 N LYS A 4 -4.940 1.434 -10.950 1.00 0.00 N ATOM 59 CA LYS A 4 -5.228 0.848 -9.629 1.00 0.00 C ATOM 60 C LYS A 4 -4.414 -0.438 -9.341 1.00 0.00 C ATOM 61 O LYS A 4 -4.007 -1.134 -10.270 1.00 0.00 O ATOM 62 CB LYS A 4 -6.746 0.610 -9.585 1.00 0.00 C ATOM 63 CG LYS A 4 -7.280 0.217 -8.202 1.00 0.00 C ATOM 64 CD LYS A 4 -8.815 0.223 -8.214 1.00 0.00 C ATOM 65 CE LYS A 4 -9.399 -0.389 -6.938 1.00 0.00 C ATOM 66 NZ LYS A 4 -9.108 0.399 -5.723 1.00 0.00 N ATOM 0 H LYS A 4 -4.901 0.739 -11.695 1.00 0.00 H new ATOM 0 HA LYS A 4 -4.918 1.530 -8.837 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -7.254 1.516 -9.915 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -7.000 -0.175 -10.297 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -6.914 -0.773 -7.929 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -6.911 0.913 -7.449 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -9.173 1.247 -8.322 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -9.173 -0.333 -9.080 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -10.479 -0.484 -7.051 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -9.002 -1.396 -6.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -9.348 -0.161 -4.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -8.097 0.642 -5.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -9.674 1.272 -5.731 1.00 0.00 H new ATOM 80 N LEU A 5 -4.195 -0.768 -8.064 1.00 0.00 N ATOM 81 CA LEU A 5 -3.374 -1.882 -7.561 1.00 0.00 C ATOM 82 C LEU A 5 -4.104 -2.649 -6.438 1.00 0.00 C ATOM 83 O LEU A 5 -4.623 -2.036 -5.503 1.00 0.00 O ATOM 84 CB LEU A 5 -2.061 -1.264 -7.041 1.00 0.00 C ATOM 85 CG LEU A 5 -0.856 -2.158 -6.693 1.00 0.00 C ATOM 86 CD1 LEU A 5 -1.032 -3.020 -5.445 1.00 0.00 C ATOM 87 CD2 LEU A 5 -0.440 -3.055 -7.854 1.00 0.00 C ATOM 0 H LEU A 5 -4.612 -0.232 -7.303 1.00 0.00 H new ATOM 0 HA LEU A 5 -3.178 -2.605 -8.353 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -1.724 -0.549 -7.791 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -2.307 -0.694 -6.145 1.00 0.00 H new ATOM 0 HG LEU A 5 -0.068 -1.436 -6.479 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -0.132 -3.613 -5.283 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -1.204 -2.378 -4.581 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -1.885 -3.685 -5.579 1.00 0.00 H new ATOM 0 HD21 LEU A 5 0.413 -3.664 -7.556 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -1.271 -3.704 -8.128 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -0.164 -2.438 -8.709 1.00 0.00 H new ATOM 99 N ILE A 6 -4.100 -3.983 -6.498 1.00 0.00 N ATOM 100 CA ILE A 6 -4.661 -4.891 -5.479 1.00 0.00 C ATOM 101 C ILE A 6 -3.538 -5.741 -4.858 1.00 0.00 C ATOM 102 O ILE A 6 -2.861 -6.495 -5.560 1.00 0.00 O ATOM 103 CB ILE A 6 -5.758 -5.796 -6.091 1.00 0.00 C ATOM 104 CG1 ILE A 6 -6.834 -4.953 -6.812 1.00 0.00 C ATOM 105 CG2 ILE A 6 -6.373 -6.692 -4.994 1.00 0.00 C ATOM 106 CD1 ILE A 6 -7.937 -5.773 -7.490 1.00 0.00 C ATOM 0 H ILE A 6 -3.691 -4.486 -7.286 1.00 0.00 H new ATOM 0 HA ILE A 6 -5.122 -4.291 -4.694 1.00 0.00 H new ATOM 0 HB ILE A 6 -5.304 -6.442 -6.842 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -7.293 -4.278 -6.089 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -6.347 -4.332 -7.564 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -7.144 -7.326 -5.432 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -5.595 -7.317 -4.556 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -6.815 -6.066 -4.219 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -8.647 -5.100 -7.970 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -7.494 -6.429 -8.240 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -8.455 -6.374 -6.743 1.00 0.00 H new ATOM 118 N LEU A 7 -3.350 -5.628 -3.543 1.00 0.00 N ATOM 119 CA LEU A 7 -2.353 -6.348 -2.750 1.00 0.00 C ATOM 120 C LEU A 7 -2.980 -7.561 -2.035 1.00 0.00 C ATOM 121 O LEU A 7 -3.865 -7.412 -1.188 1.00 0.00 O ATOM 122 CB LEU A 7 -1.717 -5.365 -1.748 1.00 0.00 C ATOM 123 CG LEU A 7 -0.699 -6.017 -0.791 1.00 0.00 C ATOM 124 CD1 LEU A 7 0.581 -6.432 -1.513 1.00 0.00 C ATOM 125 CD2 LEU A 7 -0.334 -5.051 0.327 1.00 0.00 C ATOM 0 H LEU A 7 -3.917 -5.000 -2.973 1.00 0.00 H new ATOM 0 HA LEU A 7 -1.577 -6.742 -3.407 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -1.221 -4.568 -2.302 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -2.508 -4.900 -1.159 1.00 0.00 H new ATOM 0 HG LEU A 7 -1.174 -6.910 -0.383 1.00 0.00 H new ATOM 0 HD11 LEU A 7 1.269 -6.887 -0.801 1.00 0.00 H new ATOM 0 HD12 LEU A 7 0.340 -7.152 -2.295 1.00 0.00 H new ATOM 0 HD13 LEU A 7 1.048 -5.554 -1.959 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.385 -5.524 0.996 1.00 0.00 H new ATOM 0 HD22 LEU A 7 0.105 -4.150 -0.100 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -1.231 -4.787 0.887 1.00 0.00 H new ATOM 137 N ASN A 8 -2.472 -8.749 -2.352 1.00 0.00 N ATOM 138 CA ASN A 8 -2.771 -10.002 -1.657 1.00 0.00 C ATOM 139 C ASN A 8 -1.486 -10.583 -1.030 1.00 0.00 C ATOM 140 O ASN A 8 -0.409 -10.559 -1.632 1.00 0.00 O ATOM 141 CB ASN A 8 -3.412 -11.026 -2.608 1.00 0.00 C ATOM 142 CG ASN A 8 -4.475 -10.474 -3.539 1.00 0.00 C ATOM 143 OD1 ASN A 8 -5.669 -10.510 -3.265 1.00 0.00 O ATOM 144 ND2 ASN A 8 -4.049 -9.996 -4.686 1.00 0.00 N ATOM 0 H ASN A 8 -1.819 -8.872 -3.126 1.00 0.00 H new ATOM 0 HA ASN A 8 -3.487 -9.787 -0.864 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -2.625 -11.479 -3.211 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -3.855 -11.823 -2.011 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -4.717 -9.644 -5.372 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -3.050 -9.977 -4.891 1.00 0.00 H new ATOM 151 N GLY A 9 -1.612 -11.133 0.174 1.00 0.00 N ATOM 152 CA GLY A 9 -0.492 -11.684 0.947 1.00 0.00 C ATOM 153 C GLY A 9 -0.874 -12.168 2.350 1.00 0.00 C ATOM 154 O GLY A 9 -2.031 -12.069 2.768 1.00 0.00 O ATOM 0 H GLY A 9 -2.509 -11.212 0.653 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -0.058 -12.517 0.393 1.00 0.00 H new ATOM 0 HA3 GLY A 9 0.283 -10.922 1.036 1.00 0.00 H new ATOM 158 N LYS A 10 0.103 -12.702 3.078 1.00 0.00 N ATOM 159 CA LYS A 10 -0.053 -13.263 4.427 1.00 0.00 C ATOM 160 C LYS A 10 0.314 -12.235 5.518 1.00 0.00 C ATOM 161 O LYS A 10 -0.348 -12.149 6.554 1.00 0.00 O ATOM 162 CB LYS A 10 0.837 -14.514 4.558 1.00 0.00 C ATOM 163 CG LYS A 10 0.486 -15.620 3.544 1.00 0.00 C ATOM 164 CD LYS A 10 1.387 -16.850 3.742 1.00 0.00 C ATOM 165 CE LYS A 10 1.183 -17.922 2.662 1.00 0.00 C ATOM 166 NZ LYS A 10 -0.137 -18.582 2.750 1.00 0.00 N ATOM 0 H LYS A 10 1.062 -12.761 2.737 1.00 0.00 H new ATOM 0 HA LYS A 10 -1.100 -13.531 4.570 1.00 0.00 H new ATOM 0 HB2 LYS A 10 1.880 -14.225 4.424 1.00 0.00 H new ATOM 0 HB3 LYS A 10 0.744 -14.914 5.568 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -0.559 -15.907 3.660 1.00 0.00 H new ATOM 0 HG3 LYS A 10 0.601 -15.239 2.529 1.00 0.00 H new ATOM 0 HD2 LYS A 10 2.430 -16.534 3.740 1.00 0.00 H new ATOM 0 HD3 LYS A 10 1.188 -17.286 4.721 1.00 0.00 H new ATOM 0 HE2 LYS A 10 1.290 -17.465 1.678 1.00 0.00 H new ATOM 0 HE3 LYS A 10 1.967 -18.674 2.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -0.219 -19.295 1.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -0.233 -19.044 3.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -0.888 -17.872 2.637 1.00 0.00 H new ATOM 180 N THR A 11 1.336 -11.415 5.261 1.00 0.00 N ATOM 181 CA THR A 11 1.803 -10.328 6.146 1.00 0.00 C ATOM 182 C THR A 11 0.999 -9.025 5.975 1.00 0.00 C ATOM 183 O THR A 11 0.852 -8.245 6.921 1.00 0.00 O ATOM 184 CB THR A 11 3.286 -10.030 5.829 1.00 0.00 C ATOM 185 OG1 THR A 11 4.070 -11.202 5.939 1.00 0.00 O ATOM 186 CG2 THR A 11 3.931 -8.977 6.730 1.00 0.00 C ATOM 0 H THR A 11 1.884 -11.486 4.404 1.00 0.00 H new ATOM 0 HA THR A 11 1.667 -10.668 7.173 1.00 0.00 H new ATOM 0 HB THR A 11 3.266 -9.642 4.811 1.00 0.00 H new ATOM 0 HG1 THR A 11 5.004 -10.991 5.733 1.00 0.00 H new ATOM 0 HG21 THR A 11 4.970 -8.833 6.435 1.00 0.00 H new ATOM 0 HG22 THR A 11 3.392 -8.035 6.632 1.00 0.00 H new ATOM 0 HG23 THR A 11 3.891 -9.311 7.767 1.00 0.00 H new ATOM 194 N LEU A 12 0.473 -8.780 4.771 1.00 0.00 N ATOM 195 CA LEU A 12 -0.325 -7.593 4.439 1.00 0.00 C ATOM 196 C LEU A 12 -1.338 -7.861 3.304 1.00 0.00 C ATOM 197 O LEU A 12 -1.066 -8.649 2.397 1.00 0.00 O ATOM 198 CB LEU A 12 0.654 -6.449 4.077 1.00 0.00 C ATOM 199 CG LEU A 12 0.061 -5.028 4.108 1.00 0.00 C ATOM 200 CD1 LEU A 12 -0.333 -4.607 5.520 1.00 0.00 C ATOM 201 CD2 LEU A 12 1.079 -3.996 3.635 1.00 0.00 C ATOM 0 H LEU A 12 0.592 -9.415 3.982 1.00 0.00 H new ATOM 0 HA LEU A 12 -0.929 -7.311 5.301 1.00 0.00 H new ATOM 0 HB2 LEU A 12 1.498 -6.486 4.766 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.049 -6.636 3.079 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.811 -5.061 3.455 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.747 -3.599 5.497 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -1.081 -5.297 5.910 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.547 -4.624 6.163 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.632 -3.002 3.668 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.953 -4.022 4.286 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.381 -4.225 2.613 1.00 0.00 H new ATOM 213 N LYS A 13 -2.475 -7.168 3.327 1.00 0.00 N ATOM 214 CA LYS A 13 -3.465 -7.117 2.235 1.00 0.00 C ATOM 215 C LYS A 13 -3.921 -5.658 2.035 1.00 0.00 C ATOM 216 O LYS A 13 -3.835 -4.863 2.972 1.00 0.00 O ATOM 217 CB LYS A 13 -4.680 -8.002 2.560 1.00 0.00 C ATOM 218 CG LYS A 13 -4.381 -9.510 2.539 1.00 0.00 C ATOM 219 CD LYS A 13 -5.680 -10.302 2.770 1.00 0.00 C ATOM 220 CE LYS A 13 -5.519 -11.824 2.645 1.00 0.00 C ATOM 221 NZ LYS A 13 -4.678 -12.402 3.713 1.00 0.00 N ATOM 0 H LYS A 13 -2.749 -6.604 4.132 1.00 0.00 H new ATOM 0 HA LYS A 13 -3.004 -7.491 1.321 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -5.060 -7.731 3.545 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -5.473 -7.790 1.843 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -3.939 -9.789 1.582 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -3.652 -9.756 3.311 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -6.063 -10.069 3.763 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -6.429 -9.967 2.053 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -6.503 -12.292 2.671 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -5.080 -12.060 1.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -4.917 -13.406 3.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -3.675 -12.315 3.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -4.848 -11.892 4.603 1.00 0.00 H new ATOM 235 N GLY A 14 -4.406 -5.273 0.852 1.00 0.00 N ATOM 236 CA GLY A 14 -4.842 -3.883 0.613 1.00 0.00 C ATOM 237 C GLY A 14 -5.152 -3.491 -0.835 1.00 0.00 C ATOM 238 O GLY A 14 -5.153 -4.326 -1.742 1.00 0.00 O ATOM 0 H GLY A 14 -4.509 -5.892 0.048 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -5.734 -3.700 1.212 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -4.065 -3.215 0.986 1.00 0.00 H new ATOM 242 N GLU A 15 -5.399 -2.194 -1.044 1.00 0.00 N ATOM 243 CA GLU A 15 -5.671 -1.557 -2.351 1.00 0.00 C ATOM 244 C GLU A 15 -5.119 -0.133 -2.433 1.00 0.00 C ATOM 245 O GLU A 15 -5.293 0.662 -1.509 1.00 0.00 O ATOM 246 CB GLU A 15 -7.179 -1.452 -2.632 1.00 0.00 C ATOM 247 CG GLU A 15 -7.869 -2.786 -2.901 1.00 0.00 C ATOM 248 CD GLU A 15 -9.362 -2.570 -3.117 1.00 0.00 C ATOM 249 OE1 GLU A 15 -9.730 -1.733 -3.972 1.00 0.00 O ATOM 250 OE2 GLU A 15 -10.164 -3.242 -2.430 1.00 0.00 O ATOM 0 H GLU A 15 -5.417 -1.523 -0.276 1.00 0.00 H new ATOM 0 HA GLU A 15 -5.179 -2.199 -3.082 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -7.662 -0.974 -1.780 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -7.331 -0.800 -3.492 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -7.431 -3.260 -3.780 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -7.709 -3.463 -2.061 1.00 0.00 H new ATOM 257 N THR A 16 -4.501 0.190 -3.565 1.00 0.00 N ATOM 258 CA THR A 16 -3.973 1.538 -3.867 1.00 0.00 C ATOM 259 C THR A 16 -4.319 2.026 -5.282 1.00 0.00 C ATOM 260 O THR A 16 -4.670 1.241 -6.165 1.00 0.00 O ATOM 261 CB THR A 16 -2.453 1.670 -3.614 1.00 0.00 C ATOM 262 OG1 THR A 16 -1.689 1.142 -4.664 1.00 0.00 O ATOM 263 CG2 THR A 16 -1.944 0.980 -2.347 1.00 0.00 C ATOM 0 H THR A 16 -4.345 -0.481 -4.317 1.00 0.00 H new ATOM 0 HA THR A 16 -4.486 2.189 -3.159 1.00 0.00 H new ATOM 0 HB THR A 16 -2.329 2.748 -3.514 1.00 0.00 H new ATOM 0 HG1 THR A 16 -0.747 1.102 -4.396 1.00 0.00 H new ATOM 0 HG21 THR A 16 -0.868 1.130 -2.258 1.00 0.00 H new ATOM 0 HG22 THR A 16 -2.442 1.405 -1.476 1.00 0.00 H new ATOM 0 HG23 THR A 16 -2.158 -0.087 -2.403 1.00 0.00 H new ATOM 271 N THR A 17 -4.254 3.339 -5.502 1.00 0.00 N ATOM 272 CA THR A 17 -4.674 4.008 -6.746 1.00 0.00 C ATOM 273 C THR A 17 -3.788 5.231 -7.036 1.00 0.00 C ATOM 274 O THR A 17 -3.383 5.957 -6.115 1.00 0.00 O ATOM 275 CB THR A 17 -6.158 4.459 -6.687 1.00 0.00 C ATOM 276 OG1 THR A 17 -6.959 3.669 -5.827 1.00 0.00 O ATOM 277 CG2 THR A 17 -6.840 4.402 -8.050 1.00 0.00 C ATOM 0 H THR A 17 -3.898 3.991 -4.803 1.00 0.00 H new ATOM 0 HA THR A 17 -4.564 3.278 -7.548 1.00 0.00 H new ATOM 0 HB THR A 17 -6.093 5.481 -6.313 1.00 0.00 H new ATOM 0 HG1 THR A 17 -7.879 4.007 -5.835 1.00 0.00 H new ATOM 0 HG21 THR A 17 -7.876 4.727 -7.953 1.00 0.00 H new ATOM 0 HG22 THR A 17 -6.317 5.058 -8.746 1.00 0.00 H new ATOM 0 HG23 THR A 17 -6.815 3.380 -8.427 1.00 0.00 H new ATOM 285 N THR A 18 -3.482 5.460 -8.316 1.00 0.00 N ATOM 286 CA THR A 18 -2.600 6.532 -8.820 1.00 0.00 C ATOM 287 C THR A 18 -3.108 7.092 -10.161 1.00 0.00 C ATOM 288 O THR A 18 -3.957 6.487 -10.821 1.00 0.00 O ATOM 289 CB THR A 18 -1.150 6.014 -8.998 1.00 0.00 C ATOM 290 OG1 THR A 18 -0.240 7.075 -9.170 1.00 0.00 O ATOM 291 CG2 THR A 18 -0.958 5.077 -10.198 1.00 0.00 C ATOM 0 H THR A 18 -3.856 4.881 -9.068 1.00 0.00 H new ATOM 0 HA THR A 18 -2.610 7.332 -8.080 1.00 0.00 H new ATOM 0 HB THR A 18 -0.959 5.459 -8.080 1.00 0.00 H new ATOM 0 HG1 THR A 18 0.186 7.283 -8.312 1.00 0.00 H new ATOM 0 HG21 THR A 18 0.084 4.761 -10.250 1.00 0.00 H new ATOM 0 HG22 THR A 18 -1.597 4.202 -10.082 1.00 0.00 H new ATOM 0 HG23 THR A 18 -1.224 5.602 -11.116 1.00 0.00 H new ATOM 299 N GLU A 19 -2.583 8.240 -10.588 1.00 0.00 N ATOM 300 CA GLU A 19 -2.805 8.857 -11.912 1.00 0.00 C ATOM 301 C GLU A 19 -1.462 9.066 -12.599 1.00 0.00 C ATOM 302 O GLU A 19 -0.593 9.773 -12.083 1.00 0.00 O ATOM 303 CB GLU A 19 -3.585 10.175 -11.788 1.00 0.00 C ATOM 304 CG GLU A 19 -4.016 10.708 -13.153 1.00 0.00 C ATOM 305 CD GLU A 19 -4.826 11.986 -12.984 1.00 0.00 C ATOM 306 OE1 GLU A 19 -4.211 13.072 -12.892 1.00 0.00 O ATOM 307 OE2 GLU A 19 -6.074 11.899 -12.963 1.00 0.00 O ATOM 0 H GLU A 19 -1.962 8.797 -10.000 1.00 0.00 H new ATOM 0 HA GLU A 19 -3.413 8.188 -12.521 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -4.465 10.020 -11.164 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -2.966 10.918 -11.286 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -3.138 10.903 -13.769 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -4.611 9.958 -13.674 1.00 0.00 H new ATOM 314 N ALA A 20 -1.281 8.409 -13.741 1.00 0.00 N ATOM 315 CA ALA A 20 -0.018 8.299 -14.449 1.00 0.00 C ATOM 316 C ALA A 20 -0.205 8.513 -15.955 1.00 0.00 C ATOM 317 O ALA A 20 -1.320 8.484 -16.492 1.00 0.00 O ATOM 318 CB ALA A 20 0.576 6.917 -14.159 1.00 0.00 C ATOM 0 H ALA A 20 -2.042 7.921 -14.213 1.00 0.00 H new ATOM 0 HA ALA A 20 0.665 9.075 -14.103 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.527 6.813 -14.682 1.00 0.00 H new ATOM 0 HB2 ALA A 20 0.738 6.808 -13.087 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -0.113 6.145 -14.502 1.00 0.00 H new ATOM 324 N VAL A 21 0.912 8.711 -16.644 1.00 0.00 N ATOM 325 CA VAL A 21 0.929 8.963 -18.093 1.00 0.00 C ATOM 326 C VAL A 21 0.669 7.694 -18.909 1.00 0.00 C ATOM 327 O VAL A 21 0.172 7.796 -20.035 1.00 0.00 O ATOM 328 CB VAL A 21 2.253 9.634 -18.510 1.00 0.00 C ATOM 329 CG1 VAL A 21 3.452 8.789 -18.075 1.00 0.00 C ATOM 330 CG2 VAL A 21 2.371 9.939 -20.008 1.00 0.00 C ATOM 0 H VAL A 21 1.839 8.703 -16.219 1.00 0.00 H new ATOM 0 HA VAL A 21 0.109 9.647 -18.313 1.00 0.00 H new ATOM 0 HB VAL A 21 2.251 10.595 -17.996 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.375 9.282 -18.380 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.443 8.675 -16.991 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.394 7.807 -18.544 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.333 10.410 -20.209 1.00 0.00 H new ATOM 0 HG22 VAL A 21 2.295 9.011 -20.575 1.00 0.00 H new ATOM 0 HG23 VAL A 21 1.568 10.613 -20.306 1.00 0.00 H new ATOM 340 N ASP A 22 0.960 6.486 -18.395 1.00 0.00 N ATOM 341 CA ASP A 22 0.813 5.205 -19.091 1.00 0.00 C ATOM 342 C ASP A 22 0.845 4.075 -18.042 1.00 0.00 C ATOM 343 O ASP A 22 1.280 4.258 -16.899 1.00 0.00 O ATOM 344 CB ASP A 22 1.978 5.004 -20.083 1.00 0.00 C ATOM 345 CG ASP A 22 1.886 3.726 -20.941 1.00 0.00 C ATOM 346 OD1 ASP A 22 1.055 3.680 -21.878 1.00 0.00 O ATOM 347 OD2 ASP A 22 2.627 2.760 -20.640 1.00 0.00 O ATOM 0 H ASP A 22 1.318 6.376 -17.446 1.00 0.00 H new ATOM 0 HA ASP A 22 -0.128 5.193 -19.641 1.00 0.00 H new ATOM 0 HB2 ASP A 22 2.024 5.867 -20.747 1.00 0.00 H new ATOM 0 HB3 ASP A 22 2.913 4.982 -19.523 1.00 0.00 H new ATOM 352 N ALA A 23 0.416 2.912 -18.497 1.00 0.00 N ATOM 353 CA ALA A 23 0.392 1.658 -17.741 1.00 0.00 C ATOM 354 C ALA A 23 1.785 1.272 -17.190 1.00 0.00 C ATOM 355 O ALA A 23 1.878 0.685 -16.117 1.00 0.00 O ATOM 356 CB ALA A 23 -0.218 0.539 -18.593 1.00 0.00 C ATOM 0 H ALA A 23 0.057 2.803 -19.446 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.242 1.808 -16.867 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -0.231 -0.388 -18.021 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -1.237 0.808 -18.871 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.379 0.401 -19.494 1.00 0.00 H new ATOM 362 N ALA A 24 2.874 1.654 -17.865 1.00 0.00 N ATOM 363 CA ALA A 24 4.246 1.419 -17.446 1.00 0.00 C ATOM 364 C ALA A 24 4.671 2.373 -16.320 1.00 0.00 C ATOM 365 O ALA A 24 5.290 1.932 -15.357 1.00 0.00 O ATOM 366 CB ALA A 24 5.172 1.552 -18.660 1.00 0.00 C ATOM 0 H ALA A 24 2.814 2.154 -18.752 1.00 0.00 H new ATOM 0 HA ALA A 24 4.319 0.409 -17.043 1.00 0.00 H new ATOM 0 HB1 ALA A 24 6.203 1.377 -18.352 1.00 0.00 H new ATOM 0 HB2 ALA A 24 4.889 0.819 -19.415 1.00 0.00 H new ATOM 0 HB3 ALA A 24 5.083 2.555 -19.077 1.00 0.00 H new ATOM 372 N THR A 25 4.301 3.657 -16.361 1.00 0.00 N ATOM 373 CA THR A 25 4.525 4.591 -15.243 1.00 0.00 C ATOM 374 C THR A 25 3.714 4.211 -14.000 1.00 0.00 C ATOM 375 O THR A 25 4.278 4.128 -12.910 1.00 0.00 O ATOM 376 CB THR A 25 4.221 6.032 -15.667 1.00 0.00 C ATOM 377 OG1 THR A 25 4.947 6.324 -16.841 1.00 0.00 O ATOM 378 CG2 THR A 25 4.613 7.062 -14.605 1.00 0.00 C ATOM 0 H THR A 25 3.839 4.081 -17.165 1.00 0.00 H new ATOM 0 HA THR A 25 5.579 4.521 -14.975 1.00 0.00 H new ATOM 0 HB THR A 25 3.144 6.099 -15.821 1.00 0.00 H new ATOM 0 HG1 THR A 25 5.296 7.238 -16.791 1.00 0.00 H new ATOM 0 HG21 THR A 25 4.373 8.063 -14.963 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.062 6.864 -13.685 1.00 0.00 H new ATOM 0 HG23 THR A 25 5.683 6.993 -14.409 1.00 0.00 H new ATOM 386 N ALA A 26 2.422 3.889 -14.138 1.00 0.00 N ATOM 387 CA ALA A 26 1.628 3.384 -13.008 1.00 0.00 C ATOM 388 C ALA A 26 2.190 2.078 -12.411 1.00 0.00 C ATOM 389 O ALA A 26 2.314 1.962 -11.191 1.00 0.00 O ATOM 390 CB ALA A 26 0.180 3.182 -13.441 1.00 0.00 C ATOM 0 H ALA A 26 1.906 3.968 -15.014 1.00 0.00 H new ATOM 0 HA ALA A 26 1.682 4.136 -12.221 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -0.403 2.808 -12.599 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.236 4.132 -13.776 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.142 2.461 -14.258 1.00 0.00 H new ATOM 396 N GLU A 27 2.631 1.155 -13.279 1.00 0.00 N ATOM 397 CA GLU A 27 3.366 -0.061 -12.862 1.00 0.00 C ATOM 398 C GLU A 27 4.671 0.292 -12.156 1.00 0.00 C ATOM 399 O GLU A 27 4.981 -0.307 -11.128 1.00 0.00 O ATOM 400 CB GLU A 27 3.675 -1.017 -14.028 1.00 0.00 C ATOM 401 CG GLU A 27 4.150 -2.390 -13.542 1.00 0.00 C ATOM 402 CD GLU A 27 4.715 -3.195 -14.701 1.00 0.00 C ATOM 403 OE1 GLU A 27 3.927 -3.742 -15.503 1.00 0.00 O ATOM 404 OE2 GLU A 27 5.960 -3.305 -14.781 1.00 0.00 O ATOM 0 H GLU A 27 2.492 1.225 -14.287 1.00 0.00 H new ATOM 0 HA GLU A 27 2.697 -0.577 -12.173 1.00 0.00 H new ATOM 0 HB2 GLU A 27 2.782 -1.140 -14.641 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.441 -0.574 -14.665 1.00 0.00 H new ATOM 0 HG2 GLU A 27 4.911 -2.267 -12.771 1.00 0.00 H new ATOM 0 HG3 GLU A 27 3.319 -2.929 -13.087 1.00 0.00 H new ATOM 411 N LYS A 28 5.427 1.285 -12.635 1.00 0.00 N ATOM 412 CA LYS A 28 6.659 1.724 -11.957 1.00 0.00 C ATOM 413 C LYS A 28 6.388 2.324 -10.560 1.00 0.00 C ATOM 414 O LYS A 28 7.033 1.915 -9.590 1.00 0.00 O ATOM 415 CB LYS A 28 7.394 2.714 -12.880 1.00 0.00 C ATOM 416 CG LYS A 28 8.750 3.196 -12.342 1.00 0.00 C ATOM 417 CD LYS A 28 9.413 4.130 -13.368 1.00 0.00 C ATOM 418 CE LYS A 28 10.759 4.653 -12.854 1.00 0.00 C ATOM 419 NZ LYS A 28 11.417 5.531 -13.845 1.00 0.00 N ATOM 0 H LYS A 28 5.211 1.801 -13.488 1.00 0.00 H new ATOM 0 HA LYS A 28 7.292 0.856 -11.774 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.549 2.241 -13.850 1.00 0.00 H new ATOM 0 HB3 LYS A 28 6.754 3.581 -13.046 1.00 0.00 H new ATOM 0 HG2 LYS A 28 8.611 3.719 -11.396 1.00 0.00 H new ATOM 0 HG3 LYS A 28 9.397 2.342 -12.142 1.00 0.00 H new ATOM 0 HD2 LYS A 28 9.562 3.596 -14.307 1.00 0.00 H new ATOM 0 HD3 LYS A 28 8.751 4.969 -13.580 1.00 0.00 H new ATOM 0 HE2 LYS A 28 10.606 5.203 -11.925 1.00 0.00 H new ATOM 0 HE3 LYS A 28 11.412 3.812 -12.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 12.325 5.866 -13.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 11.586 4.999 -14.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 10.804 6.347 -14.047 1.00 0.00 H new ATOM 433 N VAL A 29 5.410 3.231 -10.413 1.00 0.00 N ATOM 434 CA VAL A 29 4.983 3.764 -9.099 1.00 0.00 C ATOM 435 C VAL A 29 4.582 2.622 -8.160 1.00 0.00 C ATOM 436 O VAL A 29 5.112 2.509 -7.059 1.00 0.00 O ATOM 437 CB VAL A 29 3.816 4.765 -9.252 1.00 0.00 C ATOM 438 CG1 VAL A 29 3.223 5.216 -7.910 1.00 0.00 C ATOM 439 CG2 VAL A 29 4.274 6.035 -9.983 1.00 0.00 C ATOM 0 H VAL A 29 4.889 3.619 -11.199 1.00 0.00 H new ATOM 0 HA VAL A 29 5.830 4.296 -8.665 1.00 0.00 H new ATOM 0 HB VAL A 29 3.056 4.226 -9.818 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.408 5.918 -8.090 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.843 4.349 -7.371 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.996 5.702 -7.316 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.434 6.723 -10.078 1.00 0.00 H new ATOM 0 HG22 VAL A 29 5.073 6.513 -9.416 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.641 5.772 -10.975 1.00 0.00 H new ATOM 449 N PHE A 30 3.698 1.735 -8.611 1.00 0.00 N ATOM 450 CA PHE A 30 3.267 0.597 -7.796 1.00 0.00 C ATOM 451 C PHE A 30 4.434 -0.327 -7.381 1.00 0.00 C ATOM 452 O PHE A 30 4.505 -0.766 -6.229 1.00 0.00 O ATOM 453 CB PHE A 30 2.197 -0.220 -8.521 1.00 0.00 C ATOM 454 CG PHE A 30 0.888 0.482 -8.850 1.00 0.00 C ATOM 455 CD1 PHE A 30 0.298 1.395 -7.951 1.00 0.00 C ATOM 456 CD2 PHE A 30 0.236 0.188 -10.065 1.00 0.00 C ATOM 457 CE1 PHE A 30 -0.928 2.006 -8.269 1.00 0.00 C ATOM 458 CE2 PHE A 30 -0.984 0.807 -10.383 1.00 0.00 C ATOM 459 CZ PHE A 30 -1.568 1.706 -9.479 1.00 0.00 C ATOM 0 H PHE A 30 3.266 1.780 -9.534 1.00 0.00 H new ATOM 0 HA PHE A 30 2.848 1.022 -6.884 1.00 0.00 H new ATOM 0 HB2 PHE A 30 2.627 -0.587 -9.453 1.00 0.00 H new ATOM 0 HB3 PHE A 30 1.967 -1.093 -7.910 1.00 0.00 H new ATOM 0 HD1 PHE A 30 0.789 1.625 -7.017 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.677 -0.517 -10.755 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.377 2.707 -7.580 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -1.472 0.591 -11.322 1.00 0.00 H new ATOM 0 HZ PHE A 30 -2.515 2.169 -9.716 1.00 0.00 H new ATOM 469 N LYS A 31 5.386 -0.572 -8.283 1.00 0.00 N ATOM 470 CA LYS A 31 6.602 -1.324 -7.962 1.00 0.00 C ATOM 471 C LYS A 31 7.504 -0.621 -6.934 1.00 0.00 C ATOM 472 O LYS A 31 8.263 -1.293 -6.232 1.00 0.00 O ATOM 473 CB LYS A 31 7.381 -1.673 -9.238 1.00 0.00 C ATOM 474 CG LYS A 31 6.749 -2.900 -9.904 1.00 0.00 C ATOM 475 CD LYS A 31 7.449 -3.276 -11.210 1.00 0.00 C ATOM 476 CE LYS A 31 6.855 -4.595 -11.718 1.00 0.00 C ATOM 477 NZ LYS A 31 7.407 -4.981 -13.030 1.00 0.00 N ATOM 0 H LYS A 31 5.337 -0.257 -9.252 1.00 0.00 H new ATOM 0 HA LYS A 31 6.273 -2.248 -7.487 1.00 0.00 H new ATOM 0 HB2 LYS A 31 7.371 -0.827 -9.926 1.00 0.00 H new ATOM 0 HB3 LYS A 31 8.424 -1.875 -8.996 1.00 0.00 H new ATOM 0 HG2 LYS A 31 6.789 -3.745 -9.217 1.00 0.00 H new ATOM 0 HG3 LYS A 31 5.696 -2.701 -10.103 1.00 0.00 H new ATOM 0 HD2 LYS A 31 7.314 -2.489 -11.952 1.00 0.00 H new ATOM 0 HD3 LYS A 31 8.522 -3.381 -11.048 1.00 0.00 H new ATOM 0 HE2 LYS A 31 7.055 -5.385 -10.994 1.00 0.00 H new ATOM 0 HE3 LYS A 31 5.772 -4.499 -11.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 7.228 -5.992 -13.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 6.951 -4.419 -13.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 8.432 -4.805 -13.041 1.00 0.00 H new ATOM 491 N GLN A 32 7.425 0.703 -6.760 1.00 0.00 N ATOM 492 CA GLN A 32 8.158 1.421 -5.704 1.00 0.00 C ATOM 493 C GLN A 32 7.644 1.088 -4.290 1.00 0.00 C ATOM 494 O GLN A 32 8.437 0.850 -3.379 1.00 0.00 O ATOM 495 CB GLN A 32 8.019 2.922 -6.001 1.00 0.00 C ATOM 496 CG GLN A 32 9.038 3.820 -5.299 1.00 0.00 C ATOM 497 CD GLN A 32 8.966 5.224 -5.864 1.00 0.00 C ATOM 498 OE1 GLN A 32 9.933 5.749 -6.402 1.00 0.00 O ATOM 499 NE2 GLN A 32 7.813 5.855 -5.799 1.00 0.00 N ATOM 0 H GLN A 32 6.852 1.310 -7.346 1.00 0.00 H new ATOM 0 HA GLN A 32 9.203 1.111 -5.712 1.00 0.00 H new ATOM 0 HB2 GLN A 32 8.106 3.073 -7.077 1.00 0.00 H new ATOM 0 HB3 GLN A 32 7.017 3.242 -5.714 1.00 0.00 H new ATOM 0 HG2 GLN A 32 8.840 3.840 -4.227 1.00 0.00 H new ATOM 0 HG3 GLN A 32 10.042 3.417 -5.431 1.00 0.00 H new ATOM 0 HE21 GLN A 32 7.013 5.410 -5.349 1.00 0.00 H new ATOM 0 HE22 GLN A 32 7.719 6.789 -6.199 1.00 0.00 H new ATOM 508 N TYR A 33 6.321 1.019 -4.117 1.00 0.00 N ATOM 509 CA TYR A 33 5.658 0.658 -2.850 1.00 0.00 C ATOM 510 C TYR A 33 5.527 -0.867 -2.616 1.00 0.00 C ATOM 511 O TYR A 33 5.372 -1.300 -1.471 1.00 0.00 O ATOM 512 CB TYR A 33 4.270 1.312 -2.804 1.00 0.00 C ATOM 513 CG TYR A 33 4.267 2.830 -2.677 1.00 0.00 C ATOM 514 CD1 TYR A 33 4.472 3.648 -3.804 1.00 0.00 C ATOM 515 CD2 TYR A 33 3.978 3.431 -1.435 1.00 0.00 C ATOM 516 CE1 TYR A 33 4.360 5.047 -3.705 1.00 0.00 C ATOM 517 CE2 TYR A 33 3.861 4.830 -1.336 1.00 0.00 C ATOM 518 CZ TYR A 33 4.038 5.636 -2.472 1.00 0.00 C ATOM 519 OH TYR A 33 3.872 6.984 -2.384 1.00 0.00 O ATOM 0 H TYR A 33 5.661 1.216 -4.869 1.00 0.00 H new ATOM 0 HA TYR A 33 6.296 1.030 -2.048 1.00 0.00 H new ATOM 0 HB2 TYR A 33 3.728 1.039 -3.710 1.00 0.00 H new ATOM 0 HB3 TYR A 33 3.717 0.893 -1.963 1.00 0.00 H new ATOM 0 HD1 TYR A 33 4.718 3.197 -4.754 1.00 0.00 H new ATOM 0 HD2 TYR A 33 3.846 2.816 -0.557 1.00 0.00 H new ATOM 0 HE1 TYR A 33 4.521 5.666 -4.575 1.00 0.00 H new ATOM 0 HE2 TYR A 33 3.634 5.285 -0.383 1.00 0.00 H new ATOM 0 HH TYR A 33 3.226 7.189 -1.676 1.00 0.00 H new ATOM 529 N PHE A 34 5.624 -1.675 -3.678 1.00 0.00 N ATOM 530 CA PHE A 34 5.427 -3.136 -3.653 1.00 0.00 C ATOM 531 C PHE A 34 6.573 -3.895 -4.350 1.00 0.00 C ATOM 532 O PHE A 34 6.728 -3.843 -5.570 1.00 0.00 O ATOM 533 CB PHE A 34 4.037 -3.475 -4.219 1.00 0.00 C ATOM 534 CG PHE A 34 2.912 -2.775 -3.472 1.00 0.00 C ATOM 535 CD1 PHE A 34 2.719 -3.025 -2.098 1.00 0.00 C ATOM 536 CD2 PHE A 34 2.116 -1.807 -4.117 1.00 0.00 C ATOM 537 CE1 PHE A 34 1.762 -2.296 -1.371 1.00 0.00 C ATOM 538 CE2 PHE A 34 1.145 -1.093 -3.393 1.00 0.00 C ATOM 539 CZ PHE A 34 0.972 -1.333 -2.019 1.00 0.00 C ATOM 0 H PHE A 34 5.848 -1.323 -4.609 1.00 0.00 H new ATOM 0 HA PHE A 34 5.459 -3.479 -2.619 1.00 0.00 H new ATOM 0 HB2 PHE A 34 3.999 -3.193 -5.271 1.00 0.00 H new ATOM 0 HB3 PHE A 34 3.883 -4.553 -4.172 1.00 0.00 H new ATOM 0 HD1 PHE A 34 3.310 -3.781 -1.601 1.00 0.00 H new ATOM 0 HD2 PHE A 34 2.252 -1.613 -5.171 1.00 0.00 H new ATOM 0 HE1 PHE A 34 1.634 -2.477 -0.314 1.00 0.00 H new ATOM 0 HE2 PHE A 34 0.531 -0.359 -3.894 1.00 0.00 H new ATOM 0 HZ PHE A 34 0.232 -0.777 -1.462 1.00 0.00 H new ATOM 549 N ASN A 35 7.406 -4.575 -3.555 1.00 0.00 N ATOM 550 CA ASN A 35 8.675 -5.214 -3.933 1.00 0.00 C ATOM 551 C ASN A 35 9.204 -6.079 -2.755 1.00 0.00 C ATOM 552 O ASN A 35 8.426 -6.491 -1.889 1.00 0.00 O ATOM 553 CB ASN A 35 9.676 -4.134 -4.406 1.00 0.00 C ATOM 554 CG ASN A 35 9.901 -3.032 -3.385 1.00 0.00 C ATOM 555 OD1 ASN A 35 10.379 -3.260 -2.283 1.00 0.00 O ATOM 556 ND2 ASN A 35 9.553 -1.812 -3.726 1.00 0.00 N ATOM 0 H ASN A 35 7.200 -4.703 -2.564 1.00 0.00 H new ATOM 0 HA ASN A 35 8.528 -5.895 -4.771 1.00 0.00 H new ATOM 0 HB2 ASN A 35 10.630 -4.609 -4.634 1.00 0.00 H new ATOM 0 HB3 ASN A 35 9.311 -3.692 -5.333 1.00 0.00 H new ATOM 0 HD21 ASN A 35 9.681 -1.043 -3.069 1.00 0.00 H new ATOM 0 HD22 ASN A 35 9.155 -1.634 -4.648 1.00 0.00 H new ATOM 563 N ASP A 36 10.511 -6.361 -2.695 1.00 0.00 N ATOM 564 CA ASP A 36 11.200 -7.069 -1.595 1.00 0.00 C ATOM 565 C ASP A 36 11.147 -6.408 -0.201 1.00 0.00 C ATOM 566 O ASP A 36 11.621 -6.991 0.776 1.00 0.00 O ATOM 567 CB ASP A 36 12.656 -7.325 -1.997 1.00 0.00 C ATOM 568 CG ASP A 36 13.502 -6.042 -2.152 1.00 0.00 C ATOM 569 OD1 ASP A 36 13.479 -5.439 -3.252 1.00 0.00 O ATOM 570 OD2 ASP A 36 14.193 -5.648 -1.182 1.00 0.00 O ATOM 0 H ASP A 36 11.151 -6.092 -3.442 1.00 0.00 H new ATOM 0 HA ASP A 36 10.638 -7.994 -1.466 1.00 0.00 H new ATOM 0 HB2 ASP A 36 13.121 -7.966 -1.248 1.00 0.00 H new ATOM 0 HB3 ASP A 36 12.671 -7.873 -2.939 1.00 0.00 H new ATOM 575 N ASN A 37 10.554 -5.219 -0.095 1.00 0.00 N ATOM 576 CA ASN A 37 10.241 -4.583 1.188 1.00 0.00 C ATOM 577 C ASN A 37 9.370 -5.492 2.092 1.00 0.00 C ATOM 578 O ASN A 37 9.507 -5.499 3.319 1.00 0.00 O ATOM 579 CB ASN A 37 9.598 -3.206 0.938 1.00 0.00 C ATOM 580 CG ASN A 37 8.283 -3.154 0.166 1.00 0.00 C ATOM 581 OD1 ASN A 37 7.749 -4.144 -0.316 1.00 0.00 O ATOM 582 ND2 ASN A 37 7.716 -1.974 0.039 1.00 0.00 N ATOM 0 H ASN A 37 10.274 -4.664 -0.904 1.00 0.00 H new ATOM 0 HA ASN A 37 11.169 -4.430 1.739 1.00 0.00 H new ATOM 0 HB2 ASN A 37 9.434 -2.734 1.907 1.00 0.00 H new ATOM 0 HB3 ASN A 37 10.323 -2.592 0.403 1.00 0.00 H new ATOM 0 HD21 ASN A 37 6.832 -1.884 -0.461 1.00 0.00 H new ATOM 0 HD22 ASN A 37 8.161 -1.149 0.441 1.00 0.00 H new ATOM 589 N GLY A 38 8.490 -6.264 1.449 1.00 0.00 N ATOM 590 CA GLY A 38 7.524 -7.111 2.159 1.00 0.00 C ATOM 591 C GLY A 38 6.716 -8.114 1.336 1.00 0.00 C ATOM 592 O GLY A 38 6.158 -9.040 1.929 1.00 0.00 O ATOM 0 H GLY A 38 8.426 -6.321 0.433 1.00 0.00 H new ATOM 0 HA2 GLY A 38 8.065 -7.666 2.926 1.00 0.00 H new ATOM 0 HA3 GLY A 38 6.821 -6.457 2.675 1.00 0.00 H new ATOM 596 N VAL A 39 6.664 -7.978 0.006 1.00 0.00 N ATOM 597 CA VAL A 39 5.754 -8.791 -0.842 1.00 0.00 C ATOM 598 C VAL A 39 6.447 -9.600 -1.949 1.00 0.00 C ATOM 599 O VAL A 39 6.223 -10.810 -2.030 1.00 0.00 O ATOM 600 CB VAL A 39 4.579 -7.938 -1.372 1.00 0.00 C ATOM 601 CG1 VAL A 39 4.985 -6.724 -2.216 1.00 0.00 C ATOM 602 CG2 VAL A 39 3.562 -8.767 -2.163 1.00 0.00 C ATOM 0 H VAL A 39 7.237 -7.315 -0.516 1.00 0.00 H new ATOM 0 HA VAL A 39 5.348 -9.558 -0.182 1.00 0.00 H new ATOM 0 HB VAL A 39 4.123 -7.558 -0.458 1.00 0.00 H new ATOM 0 HG11 VAL A 39 4.091 -6.191 -2.540 1.00 0.00 H new ATOM 0 HG12 VAL A 39 5.608 -6.058 -1.619 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.545 -7.059 -3.089 1.00 0.00 H new ATOM 0 HG21 VAL A 39 2.758 -8.119 -2.512 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.055 -9.227 -3.019 1.00 0.00 H new ATOM 0 HG23 VAL A 39 3.149 -9.545 -1.521 1.00 0.00 H new ATOM 612 N ASP A 40 7.309 -8.981 -2.769 1.00 0.00 N ATOM 613 CA ASP A 40 7.975 -9.560 -3.965 1.00 0.00 C ATOM 614 C ASP A 40 7.098 -10.558 -4.764 1.00 0.00 C ATOM 615 O ASP A 40 7.534 -11.644 -5.155 1.00 0.00 O ATOM 616 CB ASP A 40 9.338 -10.152 -3.543 1.00 0.00 C ATOM 617 CG ASP A 40 10.255 -10.555 -4.721 1.00 0.00 C ATOM 618 OD1 ASP A 40 10.352 -9.791 -5.712 1.00 0.00 O ATOM 619 OD2 ASP A 40 10.918 -11.617 -4.632 1.00 0.00 O ATOM 0 H ASP A 40 7.581 -8.010 -2.615 1.00 0.00 H new ATOM 0 HA ASP A 40 8.142 -8.752 -4.678 1.00 0.00 H new ATOM 0 HB2 ASP A 40 9.861 -9.422 -2.925 1.00 0.00 H new ATOM 0 HB3 ASP A 40 9.162 -11.029 -2.920 1.00 0.00 H new ATOM 624 N GLY A 41 5.823 -10.206 -4.950 1.00 0.00 N ATOM 625 CA GLY A 41 4.784 -11.094 -5.487 1.00 0.00 C ATOM 626 C GLY A 41 4.757 -11.266 -7.012 1.00 0.00 C ATOM 627 O GLY A 41 5.453 -10.573 -7.759 1.00 0.00 O ATOM 0 H GLY A 41 5.475 -9.274 -4.727 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.907 -12.078 -5.034 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.813 -10.716 -5.168 1.00 0.00 H new ATOM 631 N GLU A 42 3.911 -12.192 -7.473 1.00 0.00 N ATOM 632 CA GLU A 42 3.550 -12.402 -8.890 1.00 0.00 C ATOM 633 C GLU A 42 2.622 -11.286 -9.373 1.00 0.00 C ATOM 634 O GLU A 42 1.506 -11.139 -8.870 1.00 0.00 O ATOM 635 CB GLU A 42 2.879 -13.773 -9.072 1.00 0.00 C ATOM 636 CG GLU A 42 2.602 -14.095 -10.540 1.00 0.00 C ATOM 637 CD GLU A 42 2.084 -15.521 -10.673 1.00 0.00 C ATOM 638 OE1 GLU A 42 0.857 -15.726 -10.540 1.00 0.00 O ATOM 639 OE2 GLU A 42 2.905 -16.430 -10.925 1.00 0.00 O ATOM 0 H GLU A 42 3.437 -12.845 -6.849 1.00 0.00 H new ATOM 0 HA GLU A 42 4.461 -12.379 -9.489 1.00 0.00 H new ATOM 0 HB2 GLU A 42 3.519 -14.547 -8.647 1.00 0.00 H new ATOM 0 HB3 GLU A 42 1.942 -13.793 -8.515 1.00 0.00 H new ATOM 0 HG2 GLU A 42 1.870 -13.395 -10.942 1.00 0.00 H new ATOM 0 HG3 GLU A 42 3.514 -13.975 -11.125 1.00 0.00 H new ATOM 646 N TRP A 43 3.088 -10.494 -10.337 1.00 0.00 N ATOM 647 CA TRP A 43 2.318 -9.404 -10.948 1.00 0.00 C ATOM 648 C TRP A 43 1.336 -9.915 -12.021 1.00 0.00 C ATOM 649 O TRP A 43 1.633 -10.837 -12.784 1.00 0.00 O ATOM 650 CB TRP A 43 3.280 -8.355 -11.528 1.00 0.00 C ATOM 651 CG TRP A 43 3.977 -7.530 -10.487 1.00 0.00 C ATOM 652 CD1 TRP A 43 5.015 -7.938 -9.724 1.00 0.00 C ATOM 653 CD2 TRP A 43 3.655 -6.179 -10.025 1.00 0.00 C ATOM 654 NE1 TRP A 43 5.334 -6.964 -8.803 1.00 0.00 N ATOM 655 CE2 TRP A 43 4.506 -5.871 -8.921 1.00 0.00 C ATOM 656 CE3 TRP A 43 2.716 -5.194 -10.407 1.00 0.00 C ATOM 657 CZ2 TRP A 43 4.403 -4.670 -8.208 1.00 0.00 C ATOM 658 CZ3 TRP A 43 2.625 -3.971 -9.714 1.00 0.00 C ATOM 659 CH2 TRP A 43 3.459 -3.715 -8.611 1.00 0.00 C ATOM 0 H TRP A 43 4.027 -10.591 -10.724 1.00 0.00 H new ATOM 0 HA TRP A 43 1.710 -8.941 -10.171 1.00 0.00 H new ATOM 0 HB2 TRP A 43 4.028 -8.860 -12.138 1.00 0.00 H new ATOM 0 HB3 TRP A 43 2.723 -7.692 -12.190 1.00 0.00 H new ATOM 0 HD1 TRP A 43 5.520 -8.888 -9.822 1.00 0.00 H new ATOM 0 HE1 TRP A 43 6.088 -7.043 -8.121 1.00 0.00 H new ATOM 0 HE3 TRP A 43 2.058 -5.382 -11.243 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 5.043 -4.482 -7.358 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 1.911 -3.226 -10.032 1.00 0.00 H new ATOM 0 HH2 TRP A 43 3.372 -2.782 -8.074 1.00 0.00 H new ATOM 670 N THR A 44 0.157 -9.298 -12.072 1.00 0.00 N ATOM 671 CA THR A 44 -0.911 -9.503 -13.070 1.00 0.00 C ATOM 672 C THR A 44 -1.514 -8.139 -13.454 1.00 0.00 C ATOM 673 O THR A 44 -1.502 -7.216 -12.634 1.00 0.00 O ATOM 674 CB THR A 44 -2.018 -10.417 -12.496 1.00 0.00 C ATOM 675 OG1 THR A 44 -1.481 -11.578 -11.895 1.00 0.00 O ATOM 676 CG2 THR A 44 -3.032 -10.894 -13.540 1.00 0.00 C ATOM 0 H THR A 44 -0.102 -8.597 -11.378 1.00 0.00 H new ATOM 0 HA THR A 44 -0.486 -9.982 -13.952 1.00 0.00 H new ATOM 0 HB THR A 44 -2.523 -9.786 -11.765 1.00 0.00 H new ATOM 0 HG1 THR A 44 -2.209 -12.131 -11.542 1.00 0.00 H new ATOM 0 HG21 THR A 44 -3.776 -11.530 -13.060 1.00 0.00 H new ATOM 0 HG22 THR A 44 -3.526 -10.032 -13.988 1.00 0.00 H new ATOM 0 HG23 THR A 44 -2.517 -11.460 -14.316 1.00 0.00 H new ATOM 684 N TYR A 45 -2.070 -7.988 -14.660 1.00 0.00 N ATOM 685 CA TYR A 45 -2.749 -6.760 -15.116 1.00 0.00 C ATOM 686 C TYR A 45 -3.962 -7.060 -16.015 1.00 0.00 C ATOM 687 O TYR A 45 -3.877 -7.881 -16.936 1.00 0.00 O ATOM 688 CB TYR A 45 -1.739 -5.876 -15.867 1.00 0.00 C ATOM 689 CG TYR A 45 -2.320 -4.602 -16.461 1.00 0.00 C ATOM 690 CD1 TYR A 45 -2.842 -3.604 -15.618 1.00 0.00 C ATOM 691 CD2 TYR A 45 -2.331 -4.403 -17.855 1.00 0.00 C ATOM 692 CE1 TYR A 45 -3.374 -2.419 -16.158 1.00 0.00 C ATOM 693 CE2 TYR A 45 -2.855 -3.212 -18.395 1.00 0.00 C ATOM 694 CZ TYR A 45 -3.382 -2.224 -17.547 1.00 0.00 C ATOM 695 OH TYR A 45 -3.902 -1.079 -18.068 1.00 0.00 O ATOM 0 H TYR A 45 -2.063 -8.727 -15.363 1.00 0.00 H new ATOM 0 HA TYR A 45 -3.128 -6.239 -14.237 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -0.935 -5.606 -15.182 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -1.291 -6.462 -16.669 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -2.834 -3.749 -14.548 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -1.937 -5.165 -18.511 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -3.776 -1.660 -15.503 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -2.851 -3.058 -19.464 1.00 0.00 H new ATOM 0 HH TYR A 45 -4.229 -1.252 -18.975 1.00 0.00 H new ATOM 705 N ASP A 46 -5.080 -6.377 -15.756 1.00 0.00 N ATOM 706 CA ASP A 46 -6.315 -6.375 -16.557 1.00 0.00 C ATOM 707 C ASP A 46 -6.615 -4.969 -17.089 1.00 0.00 C ATOM 708 O ASP A 46 -7.108 -4.107 -16.354 1.00 0.00 O ATOM 709 CB ASP A 46 -7.489 -6.926 -15.727 1.00 0.00 C ATOM 710 CG ASP A 46 -7.382 -8.438 -15.440 1.00 0.00 C ATOM 711 OD1 ASP A 46 -7.726 -9.246 -16.338 1.00 0.00 O ATOM 712 OD2 ASP A 46 -6.982 -8.821 -14.313 1.00 0.00 O ATOM 0 H ASP A 46 -5.156 -5.775 -14.936 1.00 0.00 H new ATOM 0 HA ASP A 46 -6.176 -7.028 -17.419 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -7.539 -6.387 -14.781 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -8.422 -6.729 -16.256 1.00 0.00 H new ATOM 717 N ASP A 47 -6.323 -4.723 -18.371 1.00 0.00 N ATOM 718 CA ASP A 47 -6.536 -3.420 -19.027 1.00 0.00 C ATOM 719 C ASP A 47 -8.017 -3.037 -19.168 1.00 0.00 C ATOM 720 O ASP A 47 -8.369 -1.864 -19.057 1.00 0.00 O ATOM 721 CB ASP A 47 -5.857 -3.429 -20.408 1.00 0.00 C ATOM 722 CG ASP A 47 -5.728 -2.011 -20.991 1.00 0.00 C ATOM 723 OD1 ASP A 47 -4.753 -1.305 -20.638 1.00 0.00 O ATOM 724 OD2 ASP A 47 -6.625 -1.592 -21.760 1.00 0.00 O ATOM 0 H ASP A 47 -5.928 -5.428 -18.993 1.00 0.00 H new ATOM 0 HA ASP A 47 -6.089 -2.663 -18.383 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -4.868 -3.879 -20.324 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -6.433 -4.052 -21.092 1.00 0.00 H new ATOM 729 N ALA A 48 -8.896 -4.028 -19.319 1.00 0.00 N ATOM 730 CA ALA A 48 -10.357 -3.852 -19.378 1.00 0.00 C ATOM 731 C ALA A 48 -10.954 -3.121 -18.150 1.00 0.00 C ATOM 732 O ALA A 48 -12.057 -2.571 -18.216 1.00 0.00 O ATOM 733 CB ALA A 48 -11.005 -5.228 -19.566 1.00 0.00 C ATOM 0 H ALA A 48 -8.609 -5.003 -19.406 1.00 0.00 H new ATOM 0 HA ALA A 48 -10.576 -3.202 -20.225 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -12.088 -5.117 -19.612 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -10.647 -5.675 -20.493 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -10.742 -5.872 -18.727 1.00 0.00 H new ATOM 739 N THR A 49 -10.214 -3.101 -17.038 1.00 0.00 N ATOM 740 CA THR A 49 -10.518 -2.385 -15.789 1.00 0.00 C ATOM 741 C THR A 49 -9.339 -1.508 -15.295 1.00 0.00 C ATOM 742 O THR A 49 -9.328 -1.060 -14.146 1.00 0.00 O ATOM 743 CB THR A 49 -11.049 -3.396 -14.744 1.00 0.00 C ATOM 744 OG1 THR A 49 -11.568 -2.794 -13.578 1.00 0.00 O ATOM 745 CG2 THR A 49 -10.018 -4.453 -14.343 1.00 0.00 C ATOM 0 H THR A 49 -9.334 -3.613 -16.979 1.00 0.00 H new ATOM 0 HA THR A 49 -11.309 -1.658 -15.973 1.00 0.00 H new ATOM 0 HB THR A 49 -11.870 -3.888 -15.266 1.00 0.00 H new ATOM 0 HG1 THR A 49 -11.015 -2.023 -13.334 1.00 0.00 H new ATOM 0 HG21 THR A 49 -10.456 -5.128 -13.608 1.00 0.00 H new ATOM 0 HG22 THR A 49 -9.717 -5.020 -15.224 1.00 0.00 H new ATOM 0 HG23 THR A 49 -9.145 -3.964 -13.911 1.00 0.00 H new ATOM 753 N LYS A 50 -8.307 -1.270 -16.127 1.00 0.00 N ATOM 754 CA LYS A 50 -7.082 -0.515 -15.806 1.00 0.00 C ATOM 755 C LYS A 50 -6.491 -0.803 -14.403 1.00 0.00 C ATOM 756 O LYS A 50 -6.101 0.106 -13.662 1.00 0.00 O ATOM 757 CB LYS A 50 -7.323 0.985 -16.081 1.00 0.00 C ATOM 758 CG LYS A 50 -7.763 1.307 -17.523 1.00 0.00 C ATOM 759 CD LYS A 50 -6.707 0.896 -18.563 1.00 0.00 C ATOM 760 CE LYS A 50 -7.018 1.430 -19.968 1.00 0.00 C ATOM 761 NZ LYS A 50 -8.031 0.622 -20.674 1.00 0.00 N ATOM 0 H LYS A 50 -8.305 -1.616 -17.087 1.00 0.00 H new ATOM 0 HA LYS A 50 -6.294 -0.871 -16.469 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -8.085 1.350 -15.392 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -6.407 1.533 -15.863 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -8.700 0.793 -17.738 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -7.959 2.376 -17.610 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -5.730 1.263 -18.247 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -6.642 -0.192 -18.598 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -7.369 2.459 -19.891 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -6.100 1.449 -20.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -8.520 1.214 -21.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -7.566 -0.173 -21.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -8.722 0.255 -19.988 1.00 0.00 H new ATOM 775 N THR A 51 -6.451 -2.085 -14.027 1.00 0.00 N ATOM 776 CA THR A 51 -6.086 -2.527 -12.664 1.00 0.00 C ATOM 777 C THR A 51 -5.011 -3.620 -12.676 1.00 0.00 C ATOM 778 O THR A 51 -5.054 -4.565 -13.466 1.00 0.00 O ATOM 779 CB THR A 51 -7.322 -3.003 -11.871 1.00 0.00 C ATOM 780 OG1 THR A 51 -8.295 -1.983 -11.765 1.00 0.00 O ATOM 781 CG2 THR A 51 -7.007 -3.422 -10.431 1.00 0.00 C ATOM 0 H THR A 51 -6.671 -2.855 -14.658 1.00 0.00 H new ATOM 0 HA THR A 51 -5.668 -1.655 -12.162 1.00 0.00 H new ATOM 0 HB THR A 51 -7.682 -3.861 -12.439 1.00 0.00 H new ATOM 0 HG1 THR A 51 -8.631 -1.758 -12.658 1.00 0.00 H new ATOM 0 HG21 THR A 51 -7.924 -3.744 -9.937 1.00 0.00 H new ATOM 0 HG22 THR A 51 -6.291 -4.244 -10.440 1.00 0.00 H new ATOM 0 HG23 THR A 51 -6.582 -2.576 -9.891 1.00 0.00 H new ATOM 789 N PHE A 52 -4.050 -3.485 -11.766 1.00 0.00 N ATOM 790 CA PHE A 52 -2.951 -4.400 -11.471 1.00 0.00 C ATOM 791 C PHE A 52 -3.269 -5.217 -10.207 1.00 0.00 C ATOM 792 O PHE A 52 -3.888 -4.714 -9.267 1.00 0.00 O ATOM 793 CB PHE A 52 -1.658 -3.603 -11.245 1.00 0.00 C ATOM 794 CG PHE A 52 -1.074 -2.971 -12.492 1.00 0.00 C ATOM 795 CD1 PHE A 52 -1.532 -1.716 -12.936 1.00 0.00 C ATOM 796 CD2 PHE A 52 -0.074 -3.648 -13.216 1.00 0.00 C ATOM 797 CE1 PHE A 52 -0.988 -1.135 -14.096 1.00 0.00 C ATOM 798 CE2 PHE A 52 0.458 -3.073 -14.383 1.00 0.00 C ATOM 799 CZ PHE A 52 -0.001 -1.821 -14.824 1.00 0.00 C ATOM 0 H PHE A 52 -4.018 -2.662 -11.165 1.00 0.00 H new ATOM 0 HA PHE A 52 -2.822 -5.077 -12.316 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -1.855 -2.818 -10.515 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.912 -4.266 -10.807 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -2.303 -1.198 -12.385 1.00 0.00 H new ATOM 0 HD2 PHE A 52 0.284 -4.608 -12.875 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -1.328 -0.165 -14.426 1.00 0.00 H new ATOM 0 HE2 PHE A 52 1.221 -3.595 -14.942 1.00 0.00 H new ATOM 0 HZ PHE A 52 0.405 -1.385 -15.724 1.00 0.00 H new ATOM 809 N THR A 53 -2.828 -6.468 -10.171 1.00 0.00 N ATOM 810 CA THR A 53 -2.974 -7.360 -9.009 1.00 0.00 C ATOM 811 C THR A 53 -1.619 -7.982 -8.655 1.00 0.00 C ATOM 812 O THR A 53 -0.838 -8.337 -9.542 1.00 0.00 O ATOM 813 CB THR A 53 -4.028 -8.454 -9.284 1.00 0.00 C ATOM 814 OG1 THR A 53 -5.258 -7.885 -9.684 1.00 0.00 O ATOM 815 CG2 THR A 53 -4.326 -9.330 -8.066 1.00 0.00 C ATOM 0 H THR A 53 -2.349 -6.907 -10.958 1.00 0.00 H new ATOM 0 HA THR A 53 -3.321 -6.773 -8.159 1.00 0.00 H new ATOM 0 HB THR A 53 -3.592 -9.068 -10.072 1.00 0.00 H new ATOM 0 HG1 THR A 53 -5.908 -8.598 -9.854 1.00 0.00 H new ATOM 0 HG21 THR A 53 -5.075 -10.077 -8.330 1.00 0.00 H new ATOM 0 HG22 THR A 53 -3.412 -9.830 -7.745 1.00 0.00 H new ATOM 0 HG23 THR A 53 -4.704 -8.708 -7.254 1.00 0.00 H new ATOM 823 N VAL A 54 -1.335 -8.113 -7.357 1.00 0.00 N ATOM 824 CA VAL A 54 -0.080 -8.667 -6.807 1.00 0.00 C ATOM 825 C VAL A 54 -0.410 -9.687 -5.716 1.00 0.00 C ATOM 826 O VAL A 54 -1.225 -9.418 -4.835 1.00 0.00 O ATOM 827 CB VAL A 54 0.847 -7.561 -6.253 1.00 0.00 C ATOM 828 CG1 VAL A 54 2.204 -8.136 -5.814 1.00 0.00 C ATOM 829 CG2 VAL A 54 1.140 -6.491 -7.311 1.00 0.00 C ATOM 0 H VAL A 54 -1.990 -7.829 -6.629 1.00 0.00 H new ATOM 0 HA VAL A 54 0.459 -9.158 -7.617 1.00 0.00 H new ATOM 0 HB VAL A 54 0.320 -7.126 -5.404 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.832 -7.333 -5.429 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.048 -8.880 -5.033 1.00 0.00 H new ATOM 0 HG13 VAL A 54 2.695 -8.603 -6.668 1.00 0.00 H new ATOM 0 HG21 VAL A 54 1.794 -5.729 -6.887 1.00 0.00 H new ATOM 0 HG22 VAL A 54 1.629 -6.952 -8.169 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.206 -6.029 -7.630 1.00 0.00 H new ATOM 839 N THR A 55 0.181 -10.876 -5.813 1.00 0.00 N ATOM 840 CA THR A 55 -0.031 -11.996 -4.873 1.00 0.00 C ATOM 841 C THR A 55 1.295 -12.660 -4.464 1.00 0.00 C ATOM 842 O THR A 55 2.168 -12.849 -5.316 1.00 0.00 O ATOM 843 CB THR A 55 -1.019 -13.020 -5.472 1.00 0.00 C ATOM 844 OG1 THR A 55 -2.234 -12.399 -5.837 1.00 0.00 O ATOM 845 CG2 THR A 55 -1.388 -14.159 -4.523 1.00 0.00 C ATOM 0 H THR A 55 0.837 -11.102 -6.561 1.00 0.00 H new ATOM 0 HA THR A 55 -0.470 -11.591 -3.961 1.00 0.00 H new ATOM 0 HB THR A 55 -0.490 -13.430 -6.332 1.00 0.00 H new ATOM 0 HG1 THR A 55 -2.843 -13.068 -6.215 1.00 0.00 H new ATOM 0 HG21 THR A 55 -2.085 -14.834 -5.019 1.00 0.00 H new ATOM 0 HG22 THR A 55 -0.488 -14.707 -4.245 1.00 0.00 H new ATOM 0 HG23 THR A 55 -1.855 -13.749 -3.627 1.00 0.00 H new ATOM 853 N GLU A 56 1.460 -13.016 -3.179 1.00 0.00 N ATOM 854 CA GLU A 56 2.617 -13.789 -2.665 1.00 0.00 C ATOM 855 C GLU A 56 2.609 -15.239 -3.162 1.00 0.00 C ATOM 856 O GLU A 56 3.643 -15.676 -3.709 1.00 0.00 O ATOM 857 CB GLU A 56 2.676 -13.797 -1.128 1.00 0.00 C ATOM 858 CG GLU A 56 3.090 -12.449 -0.535 1.00 0.00 C ATOM 859 CD GLU A 56 3.426 -12.611 0.942 1.00 0.00 C ATOM 860 OE1 GLU A 56 4.549 -13.071 1.250 1.00 0.00 O ATOM 861 OE2 GLU A 56 2.561 -12.291 1.786 1.00 0.00 O ATOM 862 OXT GLU A 56 1.582 -15.930 -2.986 1.00 0.00 O ATOM 0 H GLU A 56 0.786 -12.774 -2.452 1.00 0.00 H new ATOM 0 HA GLU A 56 3.500 -13.281 -3.053 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.698 -14.075 -0.735 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.380 -14.562 -0.802 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.953 -12.056 -1.072 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.283 -11.726 -0.656 1.00 0.00 H new TER 869 GLU A 56 ATOM 870 N MET B 1 -4.802 -9.395 16.832 1.00 0.00 N ATOM 871 CA MET B 1 -5.723 -8.260 16.581 1.00 0.00 C ATOM 872 C MET B 1 -5.488 -7.688 15.188 1.00 0.00 C ATOM 873 O MET B 1 -4.343 -7.578 14.753 1.00 0.00 O ATOM 874 CB MET B 1 -5.606 -7.184 17.678 1.00 0.00 C ATOM 875 CG MET B 1 -6.643 -6.061 17.537 1.00 0.00 C ATOM 876 SD MET B 1 -8.367 -6.635 17.448 1.00 0.00 S ATOM 877 CE MET B 1 -9.217 -5.055 17.195 1.00 0.00 C ATOM 0 H1 MET B 1 -4.937 -9.743 17.803 1.00 0.00 H new ATOM 0 H2 MET B 1 -5.003 -10.161 16.158 1.00 0.00 H new ATOM 0 H3 MET B 1 -3.819 -9.078 16.712 1.00 0.00 H new ATOM 0 HA MET B 1 -6.747 -8.631 16.621 1.00 0.00 H new ATOM 0 HB2 MET B 1 -5.721 -7.655 18.654 1.00 0.00 H new ATOM 0 HB3 MET B 1 -4.606 -6.752 17.649 1.00 0.00 H new ATOM 0 HG2 MET B 1 -6.542 -5.382 18.384 1.00 0.00 H new ATOM 0 HG3 MET B 1 -6.418 -5.486 16.639 1.00 0.00 H new ATOM 0 HE1 MET B 1 -10.285 -5.233 17.066 1.00 0.00 H new ATOM 0 HE2 MET B 1 -9.058 -4.414 18.062 1.00 0.00 H new ATOM 0 HE3 MET B 1 -8.820 -4.567 16.305 1.00 0.00 H new ATOM 889 N GLN B 2 -6.562 -7.326 14.483 1.00 0.00 N ATOM 890 CA GLN B 2 -6.485 -6.647 13.178 1.00 0.00 C ATOM 891 C GLN B 2 -6.101 -5.162 13.344 1.00 0.00 C ATOM 892 O GLN B 2 -6.697 -4.450 14.157 1.00 0.00 O ATOM 893 CB GLN B 2 -7.838 -6.751 12.446 1.00 0.00 C ATOM 894 CG GLN B 2 -7.717 -6.528 10.929 1.00 0.00 C ATOM 895 CD GLN B 2 -7.517 -7.830 10.183 1.00 0.00 C ATOM 896 OE1 GLN B 2 -8.467 -8.495 9.790 1.00 0.00 O ATOM 897 NE2 GLN B 2 -6.286 -8.231 9.961 1.00 0.00 N ATOM 0 H GLN B 2 -7.517 -7.494 14.799 1.00 0.00 H new ATOM 0 HA GLN B 2 -5.712 -7.140 12.589 1.00 0.00 H new ATOM 0 HB2 GLN B 2 -8.270 -7.735 12.630 1.00 0.00 H new ATOM 0 HB3 GLN B 2 -8.528 -6.017 12.862 1.00 0.00 H new ATOM 0 HG2 GLN B 2 -8.616 -6.033 10.562 1.00 0.00 H new ATOM 0 HG3 GLN B 2 -6.880 -5.860 10.725 1.00 0.00 H new ATOM 0 HE21 GLN B 2 -5.500 -7.671 10.292 1.00 0.00 H new ATOM 0 HE22 GLN B 2 -6.116 -9.102 9.458 1.00 0.00 H new ATOM 906 N TYR B 3 -5.139 -4.693 12.553 1.00 0.00 N ATOM 907 CA TYR B 3 -4.736 -3.282 12.427 1.00 0.00 C ATOM 908 C TYR B 3 -4.803 -2.810 10.964 1.00 0.00 C ATOM 909 O TYR B 3 -4.678 -3.627 10.046 1.00 0.00 O ATOM 910 CB TYR B 3 -3.320 -3.103 12.988 1.00 0.00 C ATOM 911 CG TYR B 3 -3.169 -3.462 14.456 1.00 0.00 C ATOM 912 CD1 TYR B 3 -3.400 -2.494 15.451 1.00 0.00 C ATOM 913 CD2 TYR B 3 -2.797 -4.769 14.828 1.00 0.00 C ATOM 914 CE1 TYR B 3 -3.281 -2.838 16.811 1.00 0.00 C ATOM 915 CE2 TYR B 3 -2.670 -5.107 16.187 1.00 0.00 C ATOM 916 CZ TYR B 3 -2.924 -4.147 17.177 1.00 0.00 C ATOM 917 OH TYR B 3 -2.828 -4.491 18.491 1.00 0.00 O ATOM 0 H TYR B 3 -4.590 -5.309 11.953 1.00 0.00 H new ATOM 0 HA TYR B 3 -5.431 -2.669 13.000 1.00 0.00 H new ATOM 0 HB2 TYR B 3 -2.633 -3.717 12.405 1.00 0.00 H new ATOM 0 HB3 TYR B 3 -3.017 -2.065 12.849 1.00 0.00 H new ATOM 0 HD1 TYR B 3 -3.669 -1.486 15.171 1.00 0.00 H new ATOM 0 HD2 TYR B 3 -2.609 -5.513 14.068 1.00 0.00 H new ATOM 0 HE1 TYR B 3 -3.464 -2.095 17.574 1.00 0.00 H new ATOM 0 HE2 TYR B 3 -2.376 -6.107 16.469 1.00 0.00 H new ATOM 0 HH TYR B 3 -2.572 -5.434 18.564 1.00 0.00 H new ATOM 927 N LYS B 4 -4.953 -1.504 10.730 1.00 0.00 N ATOM 928 CA LYS B 4 -5.129 -0.911 9.393 1.00 0.00 C ATOM 929 C LYS B 4 -4.261 0.354 9.184 1.00 0.00 C ATOM 930 O LYS B 4 -3.929 1.053 10.141 1.00 0.00 O ATOM 931 CB LYS B 4 -6.634 -0.625 9.208 1.00 0.00 C ATOM 932 CG LYS B 4 -7.023 -0.186 7.788 1.00 0.00 C ATOM 933 CD LYS B 4 -8.530 0.056 7.644 1.00 0.00 C ATOM 934 CE LYS B 4 -8.806 0.509 6.207 1.00 0.00 C ATOM 935 NZ LYS B 4 -10.232 0.805 5.965 1.00 0.00 N ATOM 0 H LYS B 4 -4.956 -0.810 11.478 1.00 0.00 H new ATOM 0 HA LYS B 4 -4.785 -1.611 8.632 1.00 0.00 H new ATOM 0 HB2 LYS B 4 -7.197 -1.522 9.466 1.00 0.00 H new ATOM 0 HB3 LYS B 4 -6.934 0.152 9.911 1.00 0.00 H new ATOM 0 HG2 LYS B 4 -6.485 0.727 7.533 1.00 0.00 H new ATOM 0 HG3 LYS B 4 -6.711 -0.950 7.076 1.00 0.00 H new ATOM 0 HD2 LYS B 4 -9.085 -0.855 7.869 1.00 0.00 H new ATOM 0 HD3 LYS B 4 -8.863 0.815 8.352 1.00 0.00 H new ATOM 0 HE2 LYS B 4 -8.213 1.398 5.991 1.00 0.00 H new ATOM 0 HE3 LYS B 4 -8.479 -0.268 5.517 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 -10.364 1.090 4.974 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 -10.801 -0.044 6.160 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 -10.537 1.577 6.591 1.00 0.00 H new ATOM 949 N LEU B 5 -3.940 0.672 7.928 1.00 0.00 N ATOM 950 CA LEU B 5 -3.158 1.825 7.461 1.00 0.00 C ATOM 951 C LEU B 5 -3.921 2.563 6.344 1.00 0.00 C ATOM 952 O LEU B 5 -4.450 1.920 5.435 1.00 0.00 O ATOM 953 CB LEU B 5 -1.809 1.286 6.937 1.00 0.00 C ATOM 954 CG LEU B 5 -0.627 2.250 6.713 1.00 0.00 C ATOM 955 CD1 LEU B 5 -0.787 3.202 5.530 1.00 0.00 C ATOM 956 CD2 LEU B 5 -0.288 3.071 7.951 1.00 0.00 C ATOM 0 H LEU B 5 -4.242 0.087 7.149 1.00 0.00 H new ATOM 0 HA LEU B 5 -2.991 2.535 8.271 1.00 0.00 H new ATOM 0 HB2 LEU B 5 -1.474 0.519 7.635 1.00 0.00 H new ATOM 0 HB3 LEU B 5 -2.006 0.789 5.987 1.00 0.00 H new ATOM 0 HG LEU B 5 0.194 1.571 6.482 1.00 0.00 H new ATOM 0 HD11 LEU B 5 0.094 3.839 5.454 1.00 0.00 H new ATOM 0 HD12 LEU B 5 -0.898 2.626 4.612 1.00 0.00 H new ATOM 0 HD13 LEU B 5 -1.671 3.822 5.679 1.00 0.00 H new ATOM 0 HD21 LEU B 5 0.552 3.731 7.732 1.00 0.00 H new ATOM 0 HD22 LEU B 5 -1.153 3.668 8.239 1.00 0.00 H new ATOM 0 HD23 LEU B 5 -0.020 2.402 8.769 1.00 0.00 H new ATOM 968 N ILE B 6 -3.945 3.896 6.379 1.00 0.00 N ATOM 969 CA ILE B 6 -4.527 4.775 5.348 1.00 0.00 C ATOM 970 C ILE B 6 -3.419 5.657 4.749 1.00 0.00 C ATOM 971 O ILE B 6 -2.798 6.445 5.467 1.00 0.00 O ATOM 972 CB ILE B 6 -5.654 5.653 5.948 1.00 0.00 C ATOM 973 CG1 ILE B 6 -6.705 4.795 6.693 1.00 0.00 C ATOM 974 CG2 ILE B 6 -6.298 6.509 4.836 1.00 0.00 C ATOM 975 CD1 ILE B 6 -7.826 5.604 7.354 1.00 0.00 C ATOM 0 H ILE B 6 -3.544 4.421 7.157 1.00 0.00 H new ATOM 0 HA ILE B 6 -4.965 4.161 4.561 1.00 0.00 H new ATOM 0 HB ILE B 6 -5.218 6.323 6.689 1.00 0.00 H new ATOM 0 HG12 ILE B 6 -7.148 4.091 5.988 1.00 0.00 H new ATOM 0 HG13 ILE B 6 -6.199 4.205 7.457 1.00 0.00 H new ATOM 0 HG21 ILE B 6 -7.090 7.124 5.263 1.00 0.00 H new ATOM 0 HG22 ILE B 6 -5.541 7.152 4.387 1.00 0.00 H new ATOM 0 HG23 ILE B 6 -6.719 5.856 4.072 1.00 0.00 H new ATOM 0 HD11 ILE B 6 -8.518 4.926 7.853 1.00 0.00 H new ATOM 0 HD12 ILE B 6 -7.398 6.289 8.086 1.00 0.00 H new ATOM 0 HD13 ILE B 6 -8.361 6.173 6.594 1.00 0.00 H new ATOM 987 N LEU B 7 -3.154 5.540 3.448 1.00 0.00 N ATOM 988 CA LEU B 7 -2.149 6.287 2.693 1.00 0.00 C ATOM 989 C LEU B 7 -2.799 7.484 1.969 1.00 0.00 C ATOM 990 O LEU B 7 -3.697 7.298 1.141 1.00 0.00 O ATOM 991 CB LEU B 7 -1.492 5.324 1.684 1.00 0.00 C ATOM 992 CG LEU B 7 -0.398 5.978 0.818 1.00 0.00 C ATOM 993 CD1 LEU B 7 0.851 6.319 1.630 1.00 0.00 C ATOM 994 CD2 LEU B 7 0.001 5.041 -0.317 1.00 0.00 C ATOM 0 H LEU B 7 -3.665 4.883 2.859 1.00 0.00 H new ATOM 0 HA LEU B 7 -1.391 6.686 3.367 1.00 0.00 H new ATOM 0 HB2 LEU B 7 -1.058 4.485 2.227 1.00 0.00 H new ATOM 0 HB3 LEU B 7 -2.263 4.916 1.031 1.00 0.00 H new ATOM 0 HG LEU B 7 -0.817 6.903 0.422 1.00 0.00 H new ATOM 0 HD11 LEU B 7 1.595 6.778 0.978 1.00 0.00 H new ATOM 0 HD12 LEU B 7 0.588 7.015 2.427 1.00 0.00 H new ATOM 0 HD13 LEU B 7 1.262 5.408 2.065 1.00 0.00 H new ATOM 0 HD21 LEU B 7 0.775 5.512 -0.923 1.00 0.00 H new ATOM 0 HD22 LEU B 7 0.383 4.109 0.098 1.00 0.00 H new ATOM 0 HD23 LEU B 7 -0.869 4.831 -0.939 1.00 0.00 H new ATOM 1006 N ASN B 8 -2.356 8.699 2.288 1.00 0.00 N ATOM 1007 CA ASN B 8 -2.708 9.913 1.553 1.00 0.00 C ATOM 1008 C ASN B 8 -1.413 10.554 1.005 1.00 0.00 C ATOM 1009 O ASN B 8 -0.403 10.635 1.710 1.00 0.00 O ATOM 1010 CB ASN B 8 -3.480 10.895 2.448 1.00 0.00 C ATOM 1011 CG ASN B 8 -4.566 10.258 3.295 1.00 0.00 C ATOM 1012 OD1 ASN B 8 -5.743 10.249 2.952 1.00 0.00 O ATOM 1013 ND2 ASN B 8 -4.182 9.747 4.443 1.00 0.00 N ATOM 0 H ASN B 8 -1.733 8.870 3.077 1.00 0.00 H new ATOM 0 HA ASN B 8 -3.364 9.658 0.721 1.00 0.00 H new ATOM 0 HB2 ASN B 8 -2.773 11.399 3.107 1.00 0.00 H new ATOM 0 HB3 ASN B 8 -3.931 11.662 1.819 1.00 0.00 H new ATOM 0 HD21 ASN B 8 -4.869 9.331 5.071 1.00 0.00 H new ATOM 0 HD22 ASN B 8 -3.197 9.767 4.706 1.00 0.00 H new ATOM 1020 N GLY B 9 -1.440 11.017 -0.241 1.00 0.00 N ATOM 1021 CA GLY B 9 -0.275 11.611 -0.916 1.00 0.00 C ATOM 1022 C GLY B 9 -0.504 11.993 -2.382 1.00 0.00 C ATOM 1023 O GLY B 9 -1.542 11.689 -2.975 1.00 0.00 O ATOM 0 H GLY B 9 -2.277 10.993 -0.823 1.00 0.00 H new ATOM 0 HA2 GLY B 9 0.029 12.502 -0.367 1.00 0.00 H new ATOM 0 HA3 GLY B 9 0.555 10.906 -0.865 1.00 0.00 H new ATOM 1027 N LYS B 10 0.474 12.683 -2.964 1.00 0.00 N ATOM 1028 CA LYS B 10 0.427 13.242 -4.325 1.00 0.00 C ATOM 1029 C LYS B 10 0.689 12.203 -5.444 1.00 0.00 C ATOM 1030 O LYS B 10 0.166 12.346 -6.553 1.00 0.00 O ATOM 1031 CB LYS B 10 1.460 14.381 -4.422 1.00 0.00 C ATOM 1032 CG LYS B 10 1.151 15.556 -3.475 1.00 0.00 C ATOM 1033 CD LYS B 10 2.282 16.594 -3.501 1.00 0.00 C ATOM 1034 CE LYS B 10 2.016 17.684 -2.457 1.00 0.00 C ATOM 1035 NZ LYS B 10 3.132 18.648 -2.374 1.00 0.00 N ATOM 0 H LYS B 10 1.355 12.879 -2.489 1.00 0.00 H new ATOM 0 HA LYS B 10 -0.588 13.604 -4.487 1.00 0.00 H new ATOM 0 HB2 LYS B 10 2.450 13.987 -4.192 1.00 0.00 H new ATOM 0 HB3 LYS B 10 1.493 14.748 -5.448 1.00 0.00 H new ATOM 0 HG2 LYS B 10 0.213 16.027 -3.768 1.00 0.00 H new ATOM 0 HG3 LYS B 10 1.017 15.184 -2.459 1.00 0.00 H new ATOM 0 HD2 LYS B 10 3.237 16.109 -3.298 1.00 0.00 H new ATOM 0 HD3 LYS B 10 2.356 17.039 -4.493 1.00 0.00 H new ATOM 0 HE2 LYS B 10 1.097 18.213 -2.710 1.00 0.00 H new ATOM 0 HE3 LYS B 10 1.861 17.223 -1.482 1.00 0.00 H new ATOM 0 HZ1 LYS B 10 2.915 19.370 -1.657 1.00 0.00 H new ATOM 0 HZ2 LYS B 10 4.004 18.147 -2.108 1.00 0.00 H new ATOM 0 HZ3 LYS B 10 3.264 19.107 -3.298 1.00 0.00 H new ATOM 1049 N THR B 11 1.470 11.153 -5.167 1.00 0.00 N ATOM 1050 CA THR B 11 1.892 10.116 -6.142 1.00 0.00 C ATOM 1051 C THR B 11 1.141 8.779 -5.998 1.00 0.00 C ATOM 1052 O THR B 11 1.001 8.018 -6.959 1.00 0.00 O ATOM 1053 CB THR B 11 3.395 9.822 -5.973 1.00 0.00 C ATOM 1054 OG1 THR B 11 3.713 9.526 -4.627 1.00 0.00 O ATOM 1055 CG2 THR B 11 4.263 11.004 -6.409 1.00 0.00 C ATOM 0 H THR B 11 1.842 10.988 -4.232 1.00 0.00 H new ATOM 0 HA THR B 11 1.659 10.528 -7.124 1.00 0.00 H new ATOM 0 HB THR B 11 3.604 8.962 -6.609 1.00 0.00 H new ATOM 0 HG1 THR B 11 4.673 9.342 -4.550 1.00 0.00 H new ATOM 0 HG21 THR B 11 5.315 10.753 -6.273 1.00 0.00 H new ATOM 0 HG22 THR B 11 4.076 11.225 -7.460 1.00 0.00 H new ATOM 0 HG23 THR B 11 4.018 11.878 -5.805 1.00 0.00 H new ATOM 1063 N LEU B 12 0.617 8.517 -4.800 1.00 0.00 N ATOM 1064 CA LEU B 12 -0.209 7.348 -4.476 1.00 0.00 C ATOM 1065 C LEU B 12 -1.208 7.614 -3.334 1.00 0.00 C ATOM 1066 O LEU B 12 -0.894 8.329 -2.380 1.00 0.00 O ATOM 1067 CB LEU B 12 0.737 6.171 -4.140 1.00 0.00 C ATOM 1068 CG LEU B 12 0.072 4.783 -4.147 1.00 0.00 C ATOM 1069 CD1 LEU B 12 -0.348 4.369 -5.553 1.00 0.00 C ATOM 1070 CD2 LEU B 12 1.037 3.710 -3.659 1.00 0.00 C ATOM 0 H LEU B 12 0.760 9.133 -3.999 1.00 0.00 H new ATOM 0 HA LEU B 12 -0.826 7.104 -5.341 1.00 0.00 H new ATOM 0 HB2 LEU B 12 1.558 6.168 -4.857 1.00 0.00 H new ATOM 0 HB3 LEU B 12 1.173 6.344 -3.156 1.00 0.00 H new ATOM 0 HG LEU B 12 -0.795 4.864 -3.492 1.00 0.00 H new ATOM 0 HD11 LEU B 12 -0.814 3.384 -5.518 1.00 0.00 H new ATOM 0 HD12 LEU B 12 -1.060 5.093 -5.948 1.00 0.00 H new ATOM 0 HD13 LEU B 12 0.529 4.333 -6.199 1.00 0.00 H new ATOM 0 HD21 LEU B 12 0.540 2.740 -3.674 1.00 0.00 H new ATOM 0 HD22 LEU B 12 1.910 3.681 -4.312 1.00 0.00 H new ATOM 0 HD23 LEU B 12 1.352 3.940 -2.641 1.00 0.00 H new ATOM 1082 N LYS B 13 -2.384 6.987 -3.404 1.00 0.00 N ATOM 1083 CA LYS B 13 -3.373 6.948 -2.314 1.00 0.00 C ATOM 1084 C LYS B 13 -3.920 5.520 -2.138 1.00 0.00 C ATOM 1085 O LYS B 13 -3.961 4.757 -3.104 1.00 0.00 O ATOM 1086 CB LYS B 13 -4.524 7.926 -2.610 1.00 0.00 C ATOM 1087 CG LYS B 13 -4.067 9.391 -2.695 1.00 0.00 C ATOM 1088 CD LYS B 13 -5.258 10.341 -2.882 1.00 0.00 C ATOM 1089 CE LYS B 13 -4.766 11.787 -3.012 1.00 0.00 C ATOM 1090 NZ LYS B 13 -5.881 12.734 -3.216 1.00 0.00 N ATOM 0 H LYS B 13 -2.686 6.480 -4.236 1.00 0.00 H new ATOM 0 HA LYS B 13 -2.884 7.249 -1.387 1.00 0.00 H new ATOM 0 HB2 LYS B 13 -4.998 7.645 -3.550 1.00 0.00 H new ATOM 0 HB3 LYS B 13 -5.281 7.833 -1.831 1.00 0.00 H new ATOM 0 HG2 LYS B 13 -3.526 9.658 -1.787 1.00 0.00 H new ATOM 0 HG3 LYS B 13 -3.372 9.509 -3.526 1.00 0.00 H new ATOM 0 HD2 LYS B 13 -5.821 10.059 -3.772 1.00 0.00 H new ATOM 0 HD3 LYS B 13 -5.938 10.255 -2.034 1.00 0.00 H new ATOM 0 HE2 LYS B 13 -4.214 12.064 -2.114 1.00 0.00 H new ATOM 0 HE3 LYS B 13 -4.071 11.860 -3.848 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 -5.505 13.700 -3.299 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 -6.393 12.486 -4.087 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 -6.532 12.684 -2.406 1.00 0.00 H new ATOM 1104 N GLY B 14 -4.334 5.127 -0.931 1.00 0.00 N ATOM 1105 CA GLY B 14 -4.799 3.752 -0.675 1.00 0.00 C ATOM 1106 C GLY B 14 -5.019 3.373 0.792 1.00 0.00 C ATOM 1107 O GLY B 14 -4.947 4.219 1.685 1.00 0.00 O ATOM 0 H GLY B 14 -4.359 5.737 -0.114 1.00 0.00 H new ATOM 0 HA2 GLY B 14 -5.736 3.602 -1.211 1.00 0.00 H new ATOM 0 HA3 GLY B 14 -4.073 3.060 -1.102 1.00 0.00 H new ATOM 1111 N GLU B 15 -5.268 2.082 1.037 1.00 0.00 N ATOM 1112 CA GLU B 15 -5.452 1.469 2.371 1.00 0.00 C ATOM 1113 C GLU B 15 -4.948 0.025 2.432 1.00 0.00 C ATOM 1114 O GLU B 15 -5.134 -0.742 1.486 1.00 0.00 O ATOM 1115 CB GLU B 15 -6.932 1.422 2.789 1.00 0.00 C ATOM 1116 CG GLU B 15 -7.613 2.788 2.887 1.00 0.00 C ATOM 1117 CD GLU B 15 -8.990 2.678 3.531 1.00 0.00 C ATOM 1118 OE1 GLU B 15 -9.725 1.702 3.260 1.00 0.00 O ATOM 1119 OE2 GLU B 15 -9.339 3.564 4.340 1.00 0.00 O ATOM 0 H GLU B 15 -5.352 1.400 0.283 1.00 0.00 H new ATOM 0 HA GLU B 15 -4.874 2.105 3.042 1.00 0.00 H new ATOM 0 HB2 GLU B 15 -7.479 0.810 2.072 1.00 0.00 H new ATOM 0 HB3 GLU B 15 -7.007 0.924 3.756 1.00 0.00 H new ATOM 0 HG2 GLU B 15 -6.990 3.466 3.470 1.00 0.00 H new ATOM 0 HG3 GLU B 15 -7.709 3.221 1.891 1.00 0.00 H new ATOM 1126 N THR B 16 -4.360 -0.357 3.564 1.00 0.00 N ATOM 1127 CA THR B 16 -3.856 -1.725 3.821 1.00 0.00 C ATOM 1128 C THR B 16 -4.198 -2.242 5.225 1.00 0.00 C ATOM 1129 O THR B 16 -4.391 -1.456 6.150 1.00 0.00 O ATOM 1130 CB THR B 16 -2.329 -1.847 3.610 1.00 0.00 C ATOM 1131 OG1 THR B 16 -1.572 -1.205 4.610 1.00 0.00 O ATOM 1132 CG2 THR B 16 -1.841 -1.246 2.295 1.00 0.00 C ATOM 0 H THR B 16 -4.213 0.278 4.348 1.00 0.00 H new ATOM 0 HA THR B 16 -4.372 -2.343 3.086 1.00 0.00 H new ATOM 0 HB THR B 16 -2.177 -2.926 3.628 1.00 0.00 H new ATOM 0 HG1 THR B 16 -0.617 -1.319 4.421 1.00 0.00 H new ATOM 0 HG21 THR B 16 -0.761 -1.369 2.217 1.00 0.00 H new ATOM 0 HG22 THR B 16 -2.325 -1.754 1.461 1.00 0.00 H new ATOM 0 HG23 THR B 16 -2.088 -0.185 2.266 1.00 0.00 H new ATOM 1140 N THR B 17 -4.215 -3.561 5.414 1.00 0.00 N ATOM 1141 CA THR B 17 -4.658 -4.232 6.653 1.00 0.00 C ATOM 1142 C THR B 17 -3.794 -5.470 6.959 1.00 0.00 C ATOM 1143 O THR B 17 -3.393 -6.209 6.052 1.00 0.00 O ATOM 1144 CB THR B 17 -6.145 -4.657 6.561 1.00 0.00 C ATOM 1145 OG1 THR B 17 -6.945 -3.694 5.902 1.00 0.00 O ATOM 1146 CG2 THR B 17 -6.789 -4.877 7.926 1.00 0.00 C ATOM 0 H THR B 17 -3.914 -4.218 4.694 1.00 0.00 H new ATOM 0 HA THR B 17 -4.544 -3.511 7.462 1.00 0.00 H new ATOM 0 HB THR B 17 -6.113 -5.590 5.999 1.00 0.00 H new ATOM 0 HG1 THR B 17 -7.873 -4.008 5.867 1.00 0.00 H new ATOM 0 HG21 THR B 17 -7.830 -5.173 7.794 1.00 0.00 H new ATOM 0 HG22 THR B 17 -6.253 -5.663 8.459 1.00 0.00 H new ATOM 0 HG23 THR B 17 -6.745 -3.953 8.502 1.00 0.00 H new ATOM 1154 N THR B 18 -3.505 -5.686 8.246 1.00 0.00 N ATOM 1155 CA THR B 18 -2.618 -6.738 8.792 1.00 0.00 C ATOM 1156 C THR B 18 -3.127 -7.258 10.149 1.00 0.00 C ATOM 1157 O THR B 18 -3.996 -6.636 10.768 1.00 0.00 O ATOM 1158 CB THR B 18 -1.173 -6.207 8.958 1.00 0.00 C ATOM 1159 OG1 THR B 18 -0.259 -7.256 9.182 1.00 0.00 O ATOM 1160 CG2 THR B 18 -1.002 -5.207 10.108 1.00 0.00 C ATOM 0 H THR B 18 -3.902 -5.103 8.983 1.00 0.00 H new ATOM 0 HA THR B 18 -2.622 -7.562 8.079 1.00 0.00 H new ATOM 0 HB THR B 18 -0.970 -5.696 8.017 1.00 0.00 H new ATOM 0 HG1 THR B 18 0.016 -7.639 8.323 1.00 0.00 H new ATOM 0 HG21 THR B 18 0.038 -4.883 10.157 1.00 0.00 H new ATOM 0 HG22 THR B 18 -1.644 -4.343 9.937 1.00 0.00 H new ATOM 0 HG23 THR B 18 -1.278 -5.683 11.049 1.00 0.00 H new ATOM 1168 N GLU B 19 -2.606 -8.389 10.636 1.00 0.00 N ATOM 1169 CA GLU B 19 -2.828 -8.904 12.006 1.00 0.00 C ATOM 1170 C GLU B 19 -1.505 -9.227 12.693 1.00 0.00 C ATOM 1171 O GLU B 19 -0.738 -10.077 12.240 1.00 0.00 O ATOM 1172 CB GLU B 19 -3.786 -10.107 12.032 1.00 0.00 C ATOM 1173 CG GLU B 19 -3.837 -10.768 13.414 1.00 0.00 C ATOM 1174 CD GLU B 19 -5.169 -11.451 13.676 1.00 0.00 C ATOM 1175 OE1 GLU B 19 -5.541 -12.370 12.914 1.00 0.00 O ATOM 1176 OE2 GLU B 19 -5.813 -11.076 14.682 1.00 0.00 O ATOM 0 H GLU B 19 -2.001 -8.993 10.079 1.00 0.00 H new ATOM 0 HA GLU B 19 -3.314 -8.108 12.570 1.00 0.00 H new ATOM 0 HB2 GLU B 19 -4.787 -9.780 11.749 1.00 0.00 H new ATOM 0 HB3 GLU B 19 -3.468 -10.840 11.291 1.00 0.00 H new ATOM 0 HG2 GLU B 19 -3.033 -11.500 13.494 1.00 0.00 H new ATOM 0 HG3 GLU B 19 -3.660 -10.015 14.182 1.00 0.00 H new ATOM 1183 N ALA B 20 -1.262 -8.519 13.794 1.00 0.00 N ATOM 1184 CA ALA B 20 -0.002 -8.482 14.516 1.00 0.00 C ATOM 1185 C ALA B 20 -0.209 -8.637 16.032 1.00 0.00 C ATOM 1186 O ALA B 20 -1.327 -8.545 16.552 1.00 0.00 O ATOM 1187 CB ALA B 20 0.680 -7.153 14.174 1.00 0.00 C ATOM 0 H ALA B 20 -1.975 -7.929 14.223 1.00 0.00 H new ATOM 0 HA ALA B 20 0.628 -9.320 14.216 1.00 0.00 H new ATOM 0 HB1 ALA B 20 1.633 -7.087 14.699 1.00 0.00 H new ATOM 0 HB2 ALA B 20 0.853 -7.099 13.099 1.00 0.00 H new ATOM 0 HB3 ALA B 20 0.039 -6.326 14.480 1.00 0.00 H new ATOM 1193 N VAL B 21 0.890 -8.887 16.744 1.00 0.00 N ATOM 1194 CA VAL B 21 0.866 -9.121 18.203 1.00 0.00 C ATOM 1195 C VAL B 21 0.476 -7.857 18.984 1.00 0.00 C ATOM 1196 O VAL B 21 -0.243 -7.946 19.983 1.00 0.00 O ATOM 1197 CB VAL B 21 2.205 -9.706 18.689 1.00 0.00 C ATOM 1198 CG1 VAL B 21 3.377 -8.815 18.277 1.00 0.00 C ATOM 1199 CG2 VAL B 21 2.262 -9.955 20.201 1.00 0.00 C ATOM 0 H VAL B 21 1.823 -8.935 16.335 1.00 0.00 H new ATOM 0 HA VAL B 21 0.090 -9.860 18.404 1.00 0.00 H new ATOM 0 HB VAL B 21 2.285 -10.678 18.202 1.00 0.00 H new ATOM 0 HG11 VAL B 21 4.310 -9.253 18.633 1.00 0.00 H new ATOM 0 HG12 VAL B 21 3.407 -8.732 17.191 1.00 0.00 H new ATOM 0 HG13 VAL B 21 3.251 -7.824 18.713 1.00 0.00 H new ATOM 0 HG21 VAL B 21 3.236 -10.367 20.465 1.00 0.00 H new ATOM 0 HG22 VAL B 21 2.110 -9.015 20.731 1.00 0.00 H new ATOM 0 HG23 VAL B 21 1.481 -10.661 20.483 1.00 0.00 H new ATOM 1209 N ASP B 22 0.885 -6.674 18.506 1.00 0.00 N ATOM 1210 CA ASP B 22 0.586 -5.358 19.080 1.00 0.00 C ATOM 1211 C ASP B 22 0.634 -4.275 17.994 1.00 0.00 C ATOM 1212 O ASP B 22 1.177 -4.461 16.900 1.00 0.00 O ATOM 1213 CB ASP B 22 1.646 -5.038 20.155 1.00 0.00 C ATOM 1214 CG ASP B 22 1.418 -3.737 20.950 1.00 0.00 C ATOM 1215 OD1 ASP B 22 0.524 -3.709 21.827 1.00 0.00 O ATOM 1216 OD2 ASP B 22 2.123 -2.741 20.663 1.00 0.00 O ATOM 0 H ASP B 22 1.462 -6.607 17.667 1.00 0.00 H new ATOM 0 HA ASP B 22 -0.413 -5.375 19.516 1.00 0.00 H new ATOM 0 HB2 ASP B 22 1.687 -5.870 20.858 1.00 0.00 H new ATOM 0 HB3 ASP B 22 2.621 -4.981 19.672 1.00 0.00 H new ATOM 1221 N ALA B 23 0.126 -3.115 18.372 1.00 0.00 N ATOM 1222 CA ALA B 23 0.123 -1.883 17.585 1.00 0.00 C ATOM 1223 C ALA B 23 1.526 -1.503 17.068 1.00 0.00 C ATOM 1224 O ALA B 23 1.655 -1.044 15.938 1.00 0.00 O ATOM 1225 CB ALA B 23 -0.492 -0.754 18.420 1.00 0.00 C ATOM 0 H ALA B 23 -0.319 -2.995 19.282 1.00 0.00 H new ATOM 0 HA ALA B 23 -0.484 -2.050 16.695 1.00 0.00 H new ATOM 0 HB1 ALA B 23 -0.497 0.168 17.838 1.00 0.00 H new ATOM 0 HB2 ALA B 23 -1.514 -1.017 18.691 1.00 0.00 H new ATOM 0 HB3 ALA B 23 0.097 -0.608 19.325 1.00 0.00 H new ATOM 1231 N ALA B 24 2.589 -1.761 17.836 1.00 0.00 N ATOM 1232 CA ALA B 24 3.973 -1.500 17.454 1.00 0.00 C ATOM 1233 C ALA B 24 4.501 -2.491 16.397 1.00 0.00 C ATOM 1234 O ALA B 24 5.318 -2.122 15.557 1.00 0.00 O ATOM 1235 CB ALA B 24 4.848 -1.545 18.712 1.00 0.00 C ATOM 0 H ALA B 24 2.504 -2.169 18.767 1.00 0.00 H new ATOM 0 HA ALA B 24 4.014 -0.513 16.993 1.00 0.00 H new ATOM 0 HB1 ALA B 24 5.886 -1.351 18.441 1.00 0.00 H new ATOM 0 HB2 ALA B 24 4.510 -0.786 19.418 1.00 0.00 H new ATOM 0 HB3 ALA B 24 4.771 -2.529 19.174 1.00 0.00 H new ATOM 1241 N THR B 25 4.011 -3.732 16.393 1.00 0.00 N ATOM 1242 CA THR B 25 4.320 -4.724 15.346 1.00 0.00 C ATOM 1243 C THR B 25 3.557 -4.417 14.050 1.00 0.00 C ATOM 1244 O THR B 25 4.150 -4.432 12.974 1.00 0.00 O ATOM 1245 CB THR B 25 4.076 -6.156 15.822 1.00 0.00 C ATOM 1246 OG1 THR B 25 4.782 -6.357 17.028 1.00 0.00 O ATOM 1247 CG2 THR B 25 4.575 -7.204 14.822 1.00 0.00 C ATOM 0 H THR B 25 3.385 -4.085 17.117 1.00 0.00 H new ATOM 0 HA THR B 25 5.385 -4.645 15.129 1.00 0.00 H new ATOM 0 HB THR B 25 2.999 -6.277 15.942 1.00 0.00 H new ATOM 0 HG1 THR B 25 5.309 -7.181 16.965 1.00 0.00 H new ATOM 0 HG21 THR B 25 4.376 -8.202 15.212 1.00 0.00 H new ATOM 0 HG22 THR B 25 4.057 -7.075 13.871 1.00 0.00 H new ATOM 0 HG23 THR B 25 5.647 -7.081 14.671 1.00 0.00 H new ATOM 1255 N ALA B 26 2.280 -4.022 14.125 1.00 0.00 N ATOM 1256 CA ALA B 26 1.550 -3.505 12.957 1.00 0.00 C ATOM 1257 C ALA B 26 2.182 -2.219 12.374 1.00 0.00 C ATOM 1258 O ALA B 26 2.397 -2.121 11.167 1.00 0.00 O ATOM 1259 CB ALA B 26 0.097 -3.255 13.352 1.00 0.00 C ATOM 0 H ALA B 26 1.729 -4.050 14.983 1.00 0.00 H new ATOM 0 HA ALA B 26 1.605 -4.256 12.169 1.00 0.00 H new ATOM 0 HB1 ALA B 26 -0.453 -2.871 12.493 1.00 0.00 H new ATOM 0 HB2 ALA B 26 -0.355 -4.189 13.685 1.00 0.00 H new ATOM 0 HB3 ALA B 26 0.060 -2.526 14.161 1.00 0.00 H new ATOM 1265 N GLU B 27 2.572 -1.294 13.261 1.00 0.00 N ATOM 1266 CA GLU B 27 3.349 -0.078 12.921 1.00 0.00 C ATOM 1267 C GLU B 27 4.673 -0.442 12.255 1.00 0.00 C ATOM 1268 O GLU B 27 5.025 0.141 11.233 1.00 0.00 O ATOM 1269 CB GLU B 27 3.623 0.832 14.130 1.00 0.00 C ATOM 1270 CG GLU B 27 4.084 2.224 13.691 1.00 0.00 C ATOM 1271 CD GLU B 27 4.618 3.014 14.876 1.00 0.00 C ATOM 1272 OE1 GLU B 27 3.822 3.397 15.761 1.00 0.00 O ATOM 1273 OE2 GLU B 27 5.841 3.281 14.894 1.00 0.00 O ATOM 0 H GLU B 27 2.356 -1.364 14.255 1.00 0.00 H new ATOM 0 HA GLU B 27 2.723 0.482 12.226 1.00 0.00 H new ATOM 0 HB2 GLU B 27 2.719 0.920 14.733 1.00 0.00 H new ATOM 0 HB3 GLU B 27 4.385 0.378 14.763 1.00 0.00 H new ATOM 0 HG2 GLU B 27 4.859 2.132 12.930 1.00 0.00 H new ATOM 0 HG3 GLU B 27 3.252 2.761 13.235 1.00 0.00 H new ATOM 1280 N LYS B 28 5.378 -1.451 12.772 1.00 0.00 N ATOM 1281 CA LYS B 28 6.607 -1.961 12.143 1.00 0.00 C ATOM 1282 C LYS B 28 6.361 -2.567 10.742 1.00 0.00 C ATOM 1283 O LYS B 28 7.066 -2.211 9.798 1.00 0.00 O ATOM 1284 CB LYS B 28 7.293 -2.949 13.102 1.00 0.00 C ATOM 1285 CG LYS B 28 8.631 -3.475 12.566 1.00 0.00 C ATOM 1286 CD LYS B 28 9.310 -4.393 13.592 1.00 0.00 C ATOM 1287 CE LYS B 28 10.618 -4.954 13.022 1.00 0.00 C ATOM 1288 NZ LYS B 28 11.303 -5.838 13.988 1.00 0.00 N ATOM 0 H LYS B 28 5.119 -1.937 13.631 1.00 0.00 H new ATOM 0 HA LYS B 28 7.277 -1.120 11.966 1.00 0.00 H new ATOM 0 HB2 LYS B 28 7.460 -2.459 14.061 1.00 0.00 H new ATOM 0 HB3 LYS B 28 6.626 -3.791 13.286 1.00 0.00 H new ATOM 0 HG2 LYS B 28 8.466 -4.021 11.637 1.00 0.00 H new ATOM 0 HG3 LYS B 28 9.288 -2.637 12.331 1.00 0.00 H new ATOM 0 HD2 LYS B 28 9.513 -3.838 14.508 1.00 0.00 H new ATOM 0 HD3 LYS B 28 8.640 -5.211 13.857 1.00 0.00 H new ATOM 0 HE2 LYS B 28 10.408 -5.509 12.108 1.00 0.00 H new ATOM 0 HE3 LYS B 28 11.279 -4.131 12.751 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 12.183 -6.197 13.566 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 11.526 -5.302 14.851 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 10.682 -6.637 14.228 1.00 0.00 H new ATOM 1302 N VAL B 29 5.343 -3.418 10.562 1.00 0.00 N ATOM 1303 CA VAL B 29 4.946 -3.944 9.232 1.00 0.00 C ATOM 1304 C VAL B 29 4.584 -2.812 8.254 1.00 0.00 C ATOM 1305 O VAL B 29 5.098 -2.761 7.136 1.00 0.00 O ATOM 1306 CB VAL B 29 3.782 -4.952 9.354 1.00 0.00 C ATOM 1307 CG1 VAL B 29 3.179 -5.356 8.001 1.00 0.00 C ATOM 1308 CG2 VAL B 29 4.258 -6.244 10.033 1.00 0.00 C ATOM 0 H VAL B 29 4.766 -3.766 11.328 1.00 0.00 H new ATOM 0 HA VAL B 29 5.811 -4.468 8.825 1.00 0.00 H new ATOM 0 HB VAL B 29 3.021 -4.439 9.942 1.00 0.00 H new ATOM 0 HG11 VAL B 29 2.367 -6.065 8.162 1.00 0.00 H new ATOM 0 HG12 VAL B 29 2.793 -4.471 7.496 1.00 0.00 H new ATOM 0 HG13 VAL B 29 3.949 -5.819 7.383 1.00 0.00 H new ATOM 0 HG21 VAL B 29 3.425 -6.943 10.111 1.00 0.00 H new ATOM 0 HG22 VAL B 29 5.055 -6.694 9.441 1.00 0.00 H new ATOM 0 HG23 VAL B 29 4.633 -6.014 11.030 1.00 0.00 H new ATOM 1318 N PHE B 30 3.758 -1.855 8.675 1.00 0.00 N ATOM 1319 CA PHE B 30 3.400 -0.704 7.842 1.00 0.00 C ATOM 1320 C PHE B 30 4.616 0.170 7.472 1.00 0.00 C ATOM 1321 O PHE B 30 4.765 0.557 6.315 1.00 0.00 O ATOM 1322 CB PHE B 30 2.324 0.139 8.539 1.00 0.00 C ATOM 1323 CG PHE B 30 1.001 -0.555 8.838 1.00 0.00 C ATOM 1324 CD1 PHE B 30 0.434 -1.482 7.935 1.00 0.00 C ATOM 1325 CD2 PHE B 30 0.316 -0.252 10.033 1.00 0.00 C ATOM 1326 CE1 PHE B 30 -0.797 -2.097 8.231 1.00 0.00 C ATOM 1327 CE2 PHE B 30 -0.911 -0.872 10.326 1.00 0.00 C ATOM 1328 CZ PHE B 30 -1.470 -1.785 9.420 1.00 0.00 C ATOM 0 H PHE B 30 3.320 -1.854 9.596 1.00 0.00 H new ATOM 0 HA PHE B 30 3.004 -1.099 6.906 1.00 0.00 H new ATOM 0 HB2 PHE B 30 2.736 0.507 9.479 1.00 0.00 H new ATOM 0 HB3 PHE B 30 2.119 1.011 7.918 1.00 0.00 H new ATOM 0 HD1 PHE B 30 0.947 -1.719 7.015 1.00 0.00 H new ATOM 0 HD2 PHE B 30 0.737 0.461 10.727 1.00 0.00 H new ATOM 0 HE1 PHE B 30 -1.223 -2.810 7.541 1.00 0.00 H new ATOM 0 HE2 PHE B 30 -1.423 -0.645 11.249 1.00 0.00 H new ATOM 0 HZ PHE B 30 -2.421 -2.248 9.639 1.00 0.00 H new ATOM 1338 N LYS B 31 5.529 0.425 8.411 1.00 0.00 N ATOM 1339 CA LYS B 31 6.772 1.164 8.138 1.00 0.00 C ATOM 1340 C LYS B 31 7.773 0.380 7.265 1.00 0.00 C ATOM 1341 O LYS B 31 8.557 0.992 6.536 1.00 0.00 O ATOM 1342 CB LYS B 31 7.420 1.627 9.452 1.00 0.00 C ATOM 1343 CG LYS B 31 6.657 2.831 10.024 1.00 0.00 C ATOM 1344 CD LYS B 31 7.264 3.336 11.336 1.00 0.00 C ATOM 1345 CE LYS B 31 6.530 4.609 11.771 1.00 0.00 C ATOM 1346 NZ LYS B 31 7.012 5.099 13.077 1.00 0.00 N ATOM 0 H LYS B 31 5.432 0.127 9.382 1.00 0.00 H new ATOM 0 HA LYS B 31 6.493 2.040 7.552 1.00 0.00 H new ATOM 0 HB2 LYS B 31 7.419 0.810 10.174 1.00 0.00 H new ATOM 0 HB3 LYS B 31 8.461 1.897 9.277 1.00 0.00 H new ATOM 0 HG2 LYS B 31 6.657 3.639 9.292 1.00 0.00 H new ATOM 0 HG3 LYS B 31 5.617 2.552 10.192 1.00 0.00 H new ATOM 0 HD2 LYS B 31 7.180 2.571 12.108 1.00 0.00 H new ATOM 0 HD3 LYS B 31 8.326 3.541 11.204 1.00 0.00 H new ATOM 0 HE2 LYS B 31 6.669 5.384 11.018 1.00 0.00 H new ATOM 0 HE3 LYS B 31 5.460 4.410 11.830 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 6.689 6.077 13.222 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 6.636 4.494 13.835 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 8.051 5.072 13.096 1.00 0.00 H new ATOM 1360 N GLN B 32 7.730 -0.958 7.274 1.00 0.00 N ATOM 1361 CA GLN B 32 8.494 -1.800 6.343 1.00 0.00 C ATOM 1362 C GLN B 32 8.049 -1.621 4.878 1.00 0.00 C ATOM 1363 O GLN B 32 8.904 -1.469 4.004 1.00 0.00 O ATOM 1364 CB GLN B 32 8.398 -3.270 6.776 1.00 0.00 C ATOM 1365 CG GLN B 32 9.510 -3.642 7.765 1.00 0.00 C ATOM 1366 CD GLN B 32 9.267 -4.974 8.444 1.00 0.00 C ATOM 1367 OE1 GLN B 32 9.541 -5.145 9.624 1.00 0.00 O ATOM 1368 NE2 GLN B 32 8.754 -5.960 7.741 1.00 0.00 N ATOM 0 H GLN B 32 7.161 -1.491 7.931 1.00 0.00 H new ATOM 0 HA GLN B 32 9.535 -1.479 6.385 1.00 0.00 H new ATOM 0 HB2 GLN B 32 7.426 -3.452 7.235 1.00 0.00 H new ATOM 0 HB3 GLN B 32 8.461 -3.913 5.898 1.00 0.00 H new ATOM 0 HG2 GLN B 32 10.463 -3.676 7.237 1.00 0.00 H new ATOM 0 HG3 GLN B 32 9.593 -2.862 8.522 1.00 0.00 H new ATOM 0 HE21 GLN B 32 8.525 -5.819 6.757 1.00 0.00 H new ATOM 0 HE22 GLN B 32 8.585 -6.865 8.180 1.00 0.00 H new ATOM 1377 N TYR B 33 6.742 -1.566 4.593 1.00 0.00 N ATOM 1378 CA TYR B 33 6.226 -1.273 3.239 1.00 0.00 C ATOM 1379 C TYR B 33 6.348 0.219 2.866 1.00 0.00 C ATOM 1380 O TYR B 33 6.908 0.569 1.824 1.00 0.00 O ATOM 1381 CB TYR B 33 4.754 -1.703 3.124 1.00 0.00 C ATOM 1382 CG TYR B 33 4.530 -3.182 2.854 1.00 0.00 C ATOM 1383 CD1 TYR B 33 4.730 -4.133 3.874 1.00 0.00 C ATOM 1384 CD2 TYR B 33 4.064 -3.604 1.592 1.00 0.00 C ATOM 1385 CE1 TYR B 33 4.433 -5.489 3.646 1.00 0.00 C ATOM 1386 CE2 TYR B 33 3.774 -4.964 1.363 1.00 0.00 C ATOM 1387 CZ TYR B 33 3.943 -5.899 2.398 1.00 0.00 C ATOM 1388 OH TYR B 33 3.612 -7.205 2.205 1.00 0.00 O ATOM 0 H TYR B 33 6.011 -1.722 5.287 1.00 0.00 H new ATOM 0 HA TYR B 33 6.841 -1.842 2.542 1.00 0.00 H new ATOM 0 HB2 TYR B 33 4.241 -1.437 4.049 1.00 0.00 H new ATOM 0 HB3 TYR B 33 4.286 -1.129 2.324 1.00 0.00 H new ATOM 0 HD1 TYR B 33 5.113 -3.820 4.834 1.00 0.00 H new ATOM 0 HD2 TYR B 33 3.929 -2.883 0.799 1.00 0.00 H new ATOM 0 HE1 TYR B 33 4.582 -6.214 4.432 1.00 0.00 H new ATOM 0 HE2 TYR B 33 3.423 -5.287 0.394 1.00 0.00 H new ATOM 0 HH TYR B 33 2.890 -7.265 1.546 1.00 0.00 H new ATOM 1398 N PHE B 34 5.881 1.102 3.750 1.00 0.00 N ATOM 1399 CA PHE B 34 5.811 2.561 3.554 1.00 0.00 C ATOM 1400 C PHE B 34 7.122 3.302 3.909 1.00 0.00 C ATOM 1401 O PHE B 34 7.118 4.461 4.332 1.00 0.00 O ATOM 1402 CB PHE B 34 4.543 3.122 4.224 1.00 0.00 C ATOM 1403 CG PHE B 34 3.272 2.531 3.629 1.00 0.00 C ATOM 1404 CD1 PHE B 34 2.968 2.768 2.274 1.00 0.00 C ATOM 1405 CD2 PHE B 34 2.432 1.691 4.388 1.00 0.00 C ATOM 1406 CE1 PHE B 34 1.863 2.142 1.673 1.00 0.00 C ATOM 1407 CE2 PHE B 34 1.324 1.069 3.787 1.00 0.00 C ATOM 1408 CZ PHE B 34 1.040 1.292 2.429 1.00 0.00 C ATOM 0 H PHE B 34 5.525 0.814 4.661 1.00 0.00 H new ATOM 0 HA PHE B 34 5.715 2.757 2.486 1.00 0.00 H new ATOM 0 HB2 PHE B 34 4.575 2.911 5.293 1.00 0.00 H new ATOM 0 HB3 PHE B 34 4.524 4.206 4.114 1.00 0.00 H new ATOM 0 HD1 PHE B 34 3.588 3.435 1.694 1.00 0.00 H new ATOM 0 HD2 PHE B 34 2.640 1.525 5.435 1.00 0.00 H new ATOM 0 HE1 PHE B 34 1.647 2.315 0.629 1.00 0.00 H new ATOM 0 HE2 PHE B 34 0.689 0.418 4.370 1.00 0.00 H new ATOM 0 HZ PHE B 34 0.190 0.811 1.968 1.00 0.00 H new ATOM 1418 N ASN B 35 8.255 2.617 3.736 1.00 0.00 N ATOM 1419 CA ASN B 35 9.627 3.090 3.867 1.00 0.00 C ATOM 1420 C ASN B 35 9.999 4.232 2.881 1.00 0.00 C ATOM 1421 O ASN B 35 10.621 4.008 1.839 1.00 0.00 O ATOM 1422 CB ASN B 35 10.519 1.844 3.737 1.00 0.00 C ATOM 1423 CG ASN B 35 11.814 1.996 4.503 1.00 0.00 C ATOM 1424 OD1 ASN B 35 12.492 3.017 4.461 1.00 0.00 O ATOM 1425 ND2 ASN B 35 12.169 0.982 5.262 1.00 0.00 N ATOM 0 H ASN B 35 8.228 1.631 3.478 1.00 0.00 H new ATOM 0 HA ASN B 35 9.773 3.569 4.835 1.00 0.00 H new ATOM 0 HB2 ASN B 35 9.980 0.971 4.105 1.00 0.00 H new ATOM 0 HB3 ASN B 35 10.739 1.663 2.685 1.00 0.00 H new ATOM 0 HD21 ASN B 35 13.018 1.039 5.825 1.00 0.00 H new ATOM 0 HD22 ASN B 35 11.596 0.139 5.287 1.00 0.00 H new ATOM 1432 N ASP B 36 9.581 5.460 3.214 1.00 0.00 N ATOM 1433 CA ASP B 36 9.744 6.726 2.469 1.00 0.00 C ATOM 1434 C ASP B 36 8.926 6.806 1.161 1.00 0.00 C ATOM 1435 O ASP B 36 7.985 7.596 1.110 1.00 0.00 O ATOM 1436 CB ASP B 36 11.244 7.057 2.299 1.00 0.00 C ATOM 1437 CG ASP B 36 11.520 8.443 1.687 1.00 0.00 C ATOM 1438 OD1 ASP B 36 11.374 8.580 0.450 1.00 0.00 O ATOM 1439 OD2 ASP B 36 11.922 9.369 2.432 1.00 0.00 O ATOM 0 H ASP B 36 9.075 5.612 4.087 1.00 0.00 H new ATOM 0 HA ASP B 36 9.301 7.517 3.075 1.00 0.00 H new ATOM 0 HB2 ASP B 36 11.730 6.999 3.273 1.00 0.00 H new ATOM 0 HB3 ASP B 36 11.703 6.296 1.668 1.00 0.00 H new ATOM 1444 N ASN B 37 9.225 6.000 0.132 1.00 0.00 N ATOM 1445 CA ASN B 37 8.563 5.948 -1.200 1.00 0.00 C ATOM 1446 C ASN B 37 8.291 7.324 -1.877 1.00 0.00 C ATOM 1447 O ASN B 37 7.354 7.524 -2.653 1.00 0.00 O ATOM 1448 CB ASN B 37 7.347 5.013 -1.138 1.00 0.00 C ATOM 1449 CG ASN B 37 7.707 3.618 -0.649 1.00 0.00 C ATOM 1450 OD1 ASN B 37 8.700 3.023 -1.045 1.00 0.00 O ATOM 1451 ND2 ASN B 37 6.904 3.072 0.237 1.00 0.00 N ATOM 0 H ASN B 37 9.982 5.320 0.202 1.00 0.00 H new ATOM 0 HA ASN B 37 9.286 5.519 -1.894 1.00 0.00 H new ATOM 0 HB2 ASN B 37 6.596 5.443 -0.476 1.00 0.00 H new ATOM 0 HB3 ASN B 37 6.897 4.942 -2.128 1.00 0.00 H new ATOM 0 HD21 ASN B 37 7.105 2.141 0.603 1.00 0.00 H new ATOM 0 HD22 ASN B 37 6.079 3.579 0.559 1.00 0.00 H new ATOM 1458 N GLY B 38 9.161 8.265 -1.522 1.00 0.00 N ATOM 1459 CA GLY B 38 9.110 9.705 -1.816 1.00 0.00 C ATOM 1460 C GLY B 38 7.767 10.386 -1.471 1.00 0.00 C ATOM 1461 O GLY B 38 7.380 11.351 -2.133 1.00 0.00 O ATOM 0 H GLY B 38 9.990 8.027 -0.977 1.00 0.00 H new ATOM 0 HA2 GLY B 38 9.907 10.203 -1.264 1.00 0.00 H new ATOM 0 HA3 GLY B 38 9.315 9.853 -2.876 1.00 0.00 H new ATOM 1465 N VAL B 39 7.054 9.882 -0.457 1.00 0.00 N ATOM 1466 CA VAL B 39 5.814 10.448 0.113 1.00 0.00 C ATOM 1467 C VAL B 39 6.020 10.828 1.588 1.00 0.00 C ATOM 1468 O VAL B 39 5.566 11.894 2.005 1.00 0.00 O ATOM 1469 CB VAL B 39 4.614 9.491 -0.092 1.00 0.00 C ATOM 1470 CG1 VAL B 39 4.761 8.128 0.597 1.00 0.00 C ATOM 1471 CG2 VAL B 39 3.281 10.094 0.359 1.00 0.00 C ATOM 0 H VAL B 39 7.336 9.024 0.016 1.00 0.00 H new ATOM 0 HA VAL B 39 5.573 11.365 -0.424 1.00 0.00 H new ATOM 0 HB VAL B 39 4.614 9.339 -1.171 1.00 0.00 H new ATOM 0 HG11 VAL B 39 3.876 7.523 0.400 1.00 0.00 H new ATOM 0 HG12 VAL B 39 5.643 7.617 0.209 1.00 0.00 H new ATOM 0 HG13 VAL B 39 4.869 8.273 1.672 1.00 0.00 H new ATOM 0 HG21 VAL B 39 2.480 9.374 0.189 1.00 0.00 H new ATOM 0 HG22 VAL B 39 3.332 10.336 1.420 1.00 0.00 H new ATOM 0 HG23 VAL B 39 3.081 11.001 -0.211 1.00 0.00 H new ATOM 1481 N ASP B 40 6.775 10.009 2.344 1.00 0.00 N ATOM 1482 CA ASP B 40 7.299 10.231 3.710 1.00 0.00 C ATOM 1483 C ASP B 40 6.416 11.078 4.652 1.00 0.00 C ATOM 1484 O ASP B 40 6.887 11.985 5.343 1.00 0.00 O ATOM 1485 CB ASP B 40 8.769 10.703 3.624 1.00 0.00 C ATOM 1486 CG ASP B 40 9.004 12.107 3.013 1.00 0.00 C ATOM 1487 OD1 ASP B 40 8.891 12.264 1.772 1.00 0.00 O ATOM 1488 OD2 ASP B 40 9.376 13.044 3.762 1.00 0.00 O ATOM 0 H ASP B 40 7.060 9.097 1.987 1.00 0.00 H new ATOM 0 HA ASP B 40 7.265 9.266 4.216 1.00 0.00 H new ATOM 0 HB2 ASP B 40 9.191 10.692 4.629 1.00 0.00 H new ATOM 0 HB3 ASP B 40 9.328 9.976 3.035 1.00 0.00 H new ATOM 1493 N GLY B 41 5.113 10.792 4.653 1.00 0.00 N ATOM 1494 CA GLY B 41 4.096 11.605 5.328 1.00 0.00 C ATOM 1495 C GLY B 41 4.164 11.596 6.863 1.00 0.00 C ATOM 1496 O GLY B 41 4.828 10.760 7.480 1.00 0.00 O ATOM 0 H GLY B 41 4.727 9.976 4.178 1.00 0.00 H new ATOM 0 HA2 GLY B 41 4.189 12.635 4.982 1.00 0.00 H new ATOM 0 HA3 GLY B 41 3.111 11.253 5.022 1.00 0.00 H new ATOM 1500 N GLU B 42 3.433 12.524 7.486 1.00 0.00 N ATOM 1501 CA GLU B 42 3.177 12.574 8.939 1.00 0.00 C ATOM 1502 C GLU B 42 2.361 11.354 9.369 1.00 0.00 C ATOM 1503 O GLU B 42 1.249 11.155 8.880 1.00 0.00 O ATOM 1504 CB GLU B 42 2.432 13.871 9.298 1.00 0.00 C ATOM 1505 CG GLU B 42 2.197 14.019 10.801 1.00 0.00 C ATOM 1506 CD GLU B 42 1.609 15.390 11.101 1.00 0.00 C ATOM 1507 OE1 GLU B 42 0.372 15.547 10.999 1.00 0.00 O ATOM 1508 OE2 GLU B 42 2.387 16.307 11.450 1.00 0.00 O ATOM 0 H GLU B 42 2.986 13.289 6.982 1.00 0.00 H new ATOM 0 HA GLU B 42 4.129 12.561 9.469 1.00 0.00 H new ATOM 0 HB2 GLU B 42 3.005 14.726 8.938 1.00 0.00 H new ATOM 0 HB3 GLU B 42 1.473 13.889 8.781 1.00 0.00 H new ATOM 0 HG2 GLU B 42 1.520 13.239 11.151 1.00 0.00 H new ATOM 0 HG3 GLU B 42 3.136 13.891 11.339 1.00 0.00 H new ATOM 1515 N TRP B 43 2.912 10.538 10.266 1.00 0.00 N ATOM 1516 CA TRP B 43 2.212 9.387 10.847 1.00 0.00 C ATOM 1517 C TRP B 43 1.285 9.830 11.998 1.00 0.00 C ATOM 1518 O TRP B 43 1.663 10.655 12.837 1.00 0.00 O ATOM 1519 CB TRP B 43 3.231 8.337 11.323 1.00 0.00 C ATOM 1520 CG TRP B 43 3.930 7.593 10.222 1.00 0.00 C ATOM 1521 CD1 TRP B 43 4.883 8.105 9.411 1.00 0.00 C ATOM 1522 CD2 TRP B 43 3.720 6.220 9.758 1.00 0.00 C ATOM 1523 NE1 TRP B 43 5.250 7.170 8.464 1.00 0.00 N ATOM 1524 CE2 TRP B 43 4.548 5.996 8.616 1.00 0.00 C ATOM 1525 CE3 TRP B 43 2.901 5.144 10.174 1.00 0.00 C ATOM 1526 CZ2 TRP B 43 4.540 4.790 7.901 1.00 0.00 C ATOM 1527 CZ3 TRP B 43 2.898 3.921 9.474 1.00 0.00 C ATOM 1528 CH2 TRP B 43 3.703 3.749 8.332 1.00 0.00 C ATOM 0 H TRP B 43 3.863 10.655 10.614 1.00 0.00 H new ATOM 0 HA TRP B 43 1.585 8.934 10.079 1.00 0.00 H new ATOM 0 HB2 TRP B 43 3.980 8.832 11.940 1.00 0.00 H new ATOM 0 HB3 TRP B 43 2.718 7.617 11.961 1.00 0.00 H new ATOM 0 HD1 TRP B 43 5.296 9.099 9.492 1.00 0.00 H new ATOM 0 HE1 TRP B 43 5.953 7.329 7.742 1.00 0.00 H new ATOM 0 HE3 TRP B 43 2.268 5.262 11.041 1.00 0.00 H new ATOM 0 HZ2 TRP B 43 5.168 4.664 7.032 1.00 0.00 H new ATOM 0 HZ3 TRP B 43 2.273 3.109 9.816 1.00 0.00 H new ATOM 0 HH2 TRP B 43 3.677 2.817 7.788 1.00 0.00 H new ATOM 1539 N THR B 44 0.082 9.264 12.047 1.00 0.00 N ATOM 1540 CA THR B 44 -0.955 9.482 13.073 1.00 0.00 C ATOM 1541 C THR B 44 -1.605 8.129 13.415 1.00 0.00 C ATOM 1542 O THR B 44 -1.599 7.220 12.578 1.00 0.00 O ATOM 1543 CB THR B 44 -2.023 10.472 12.551 1.00 0.00 C ATOM 1544 OG1 THR B 44 -1.434 11.688 12.133 1.00 0.00 O ATOM 1545 CG2 THR B 44 -3.095 10.847 13.577 1.00 0.00 C ATOM 0 H THR B 44 -0.221 8.601 11.334 1.00 0.00 H new ATOM 0 HA THR B 44 -0.503 9.909 13.968 1.00 0.00 H new ATOM 0 HB THR B 44 -2.493 9.934 11.727 1.00 0.00 H new ATOM 0 HG1 THR B 44 -2.131 12.294 11.807 1.00 0.00 H new ATOM 0 HG21 THR B 44 -3.802 11.544 13.127 1.00 0.00 H new ATOM 0 HG22 THR B 44 -3.624 9.949 13.895 1.00 0.00 H new ATOM 0 HG23 THR B 44 -2.624 11.316 14.441 1.00 0.00 H new ATOM 1553 N TYR B 45 -2.186 7.968 14.609 1.00 0.00 N ATOM 1554 CA TYR B 45 -2.874 6.740 15.044 1.00 0.00 C ATOM 1555 C TYR B 45 -4.117 7.033 15.903 1.00 0.00 C ATOM 1556 O TYR B 45 -4.086 7.905 16.779 1.00 0.00 O ATOM 1557 CB TYR B 45 -1.885 5.874 15.840 1.00 0.00 C ATOM 1558 CG TYR B 45 -2.457 4.572 16.378 1.00 0.00 C ATOM 1559 CD1 TYR B 45 -2.858 3.564 15.484 1.00 0.00 C ATOM 1560 CD2 TYR B 45 -2.569 4.350 17.766 1.00 0.00 C ATOM 1561 CE1 TYR B 45 -3.342 2.334 15.963 1.00 0.00 C ATOM 1562 CE2 TYR B 45 -3.051 3.117 18.245 1.00 0.00 C ATOM 1563 CZ TYR B 45 -3.425 2.107 17.344 1.00 0.00 C ATOM 1564 OH TYR B 45 -3.845 0.898 17.809 1.00 0.00 O ATOM 0 H TYR B 45 -2.193 8.702 15.318 1.00 0.00 H new ATOM 0 HA TYR B 45 -3.219 6.215 14.153 1.00 0.00 H new ATOM 0 HB2 TYR B 45 -1.033 5.642 15.201 1.00 0.00 H new ATOM 0 HB3 TYR B 45 -1.505 6.460 16.677 1.00 0.00 H new ATOM 0 HD1 TYR B 45 -2.794 3.736 14.420 1.00 0.00 H new ATOM 0 HD2 TYR B 45 -2.285 5.126 18.462 1.00 0.00 H new ATOM 0 HE1 TYR B 45 -3.649 1.566 15.269 1.00 0.00 H new ATOM 0 HE2 TYR B 45 -3.133 2.947 19.308 1.00 0.00 H new ATOM 0 HH TYR B 45 -3.844 0.906 18.789 1.00 0.00 H new ATOM 1574 N ASP B 46 -5.198 6.285 15.666 1.00 0.00 N ATOM 1575 CA ASP B 46 -6.427 6.245 16.474 1.00 0.00 C ATOM 1576 C ASP B 46 -6.645 4.838 17.043 1.00 0.00 C ATOM 1577 O ASP B 46 -6.968 3.903 16.302 1.00 0.00 O ATOM 1578 CB ASP B 46 -7.632 6.710 15.633 1.00 0.00 C ATOM 1579 CG ASP B 46 -7.594 8.212 15.281 1.00 0.00 C ATOM 1580 OD1 ASP B 46 -7.967 9.042 16.146 1.00 0.00 O ATOM 1581 OD2 ASP B 46 -7.224 8.563 14.133 1.00 0.00 O ATOM 0 H ASP B 46 -5.245 5.657 14.864 1.00 0.00 H new ATOM 0 HA ASP B 46 -6.324 6.930 17.316 1.00 0.00 H new ATOM 0 HB2 ASP B 46 -7.667 6.130 14.711 1.00 0.00 H new ATOM 0 HB3 ASP B 46 -8.551 6.496 16.179 1.00 0.00 H new ATOM 1586 N ASP B 47 -6.475 4.669 18.360 1.00 0.00 N ATOM 1587 CA ASP B 47 -6.647 3.390 19.074 1.00 0.00 C ATOM 1588 C ASP B 47 -8.097 2.885 19.061 1.00 0.00 C ATOM 1589 O ASP B 47 -8.350 1.700 18.868 1.00 0.00 O ATOM 1590 CB ASP B 47 -6.160 3.602 20.521 1.00 0.00 C ATOM 1591 CG ASP B 47 -6.340 2.366 21.423 1.00 0.00 C ATOM 1592 OD1 ASP B 47 -5.579 1.383 21.258 1.00 0.00 O ATOM 1593 OD2 ASP B 47 -7.244 2.379 22.291 1.00 0.00 O ATOM 0 H ASP B 47 -6.207 5.435 18.978 1.00 0.00 H new ATOM 0 HA ASP B 47 -6.065 2.621 18.566 1.00 0.00 H new ATOM 0 HB2 ASP B 47 -5.105 3.877 20.503 1.00 0.00 H new ATOM 0 HB3 ASP B 47 -6.701 4.441 20.958 1.00 0.00 H new ATOM 1598 N ALA B 48 -9.064 3.797 19.162 1.00 0.00 N ATOM 1599 CA ALA B 48 -10.511 3.499 19.179 1.00 0.00 C ATOM 1600 C ALA B 48 -11.057 2.847 17.881 1.00 0.00 C ATOM 1601 O ALA B 48 -12.196 2.377 17.828 1.00 0.00 O ATOM 1602 CB ALA B 48 -11.254 4.806 19.482 1.00 0.00 C ATOM 0 H ALA B 48 -8.865 4.795 19.237 1.00 0.00 H new ATOM 0 HA ALA B 48 -10.681 2.748 19.950 1.00 0.00 H new ATOM 0 HB1 ALA B 48 -12.328 4.618 19.501 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -10.935 5.189 20.451 1.00 0.00 H new ATOM 0 HB3 ALA B 48 -11.028 5.541 18.709 1.00 0.00 H new ATOM 1608 N THR B 49 -10.229 2.847 16.836 1.00 0.00 N ATOM 1609 CA THR B 49 -10.433 2.123 15.571 1.00 0.00 C ATOM 1610 C THR B 49 -9.226 1.261 15.129 1.00 0.00 C ATOM 1611 O THR B 49 -9.167 0.814 13.982 1.00 0.00 O ATOM 1612 CB THR B 49 -10.968 3.108 14.507 1.00 0.00 C ATOM 1613 OG1 THR B 49 -11.411 2.488 13.318 1.00 0.00 O ATOM 1614 CG2 THR B 49 -9.976 4.217 14.165 1.00 0.00 C ATOM 0 H THR B 49 -9.356 3.375 16.844 1.00 0.00 H new ATOM 0 HA THR B 49 -11.196 1.360 15.724 1.00 0.00 H new ATOM 0 HB THR B 49 -11.838 3.554 14.988 1.00 0.00 H new ATOM 0 HG1 THR B 49 -10.780 1.784 13.061 1.00 0.00 H new ATOM 0 HG21 THR B 49 -10.411 4.875 13.413 1.00 0.00 H new ATOM 0 HG22 THR B 49 -9.750 4.792 15.063 1.00 0.00 H new ATOM 0 HG23 THR B 49 -9.058 3.777 13.775 1.00 0.00 H new ATOM 1622 N LYS B 50 -8.228 1.026 15.998 1.00 0.00 N ATOM 1623 CA LYS B 50 -6.956 0.343 15.695 1.00 0.00 C ATOM 1624 C LYS B 50 -6.334 0.695 14.320 1.00 0.00 C ATOM 1625 O LYS B 50 -5.833 -0.177 13.603 1.00 0.00 O ATOM 1626 CB LYS B 50 -7.124 -1.174 15.916 1.00 0.00 C ATOM 1627 CG LYS B 50 -7.595 -1.570 17.327 1.00 0.00 C ATOM 1628 CD LYS B 50 -6.647 -1.091 18.436 1.00 0.00 C ATOM 1629 CE LYS B 50 -7.075 -1.663 19.792 1.00 0.00 C ATOM 1630 NZ LYS B 50 -6.118 -1.325 20.863 1.00 0.00 N ATOM 0 H LYS B 50 -8.287 1.319 16.973 1.00 0.00 H new ATOM 0 HA LYS B 50 -6.214 0.725 16.396 1.00 0.00 H new ATOM 0 HB2 LYS B 50 -7.840 -1.556 15.188 1.00 0.00 H new ATOM 0 HB3 LYS B 50 -6.172 -1.664 15.715 1.00 0.00 H new ATOM 0 HG2 LYS B 50 -8.588 -1.155 17.502 1.00 0.00 H new ATOM 0 HG3 LYS B 50 -7.689 -2.655 17.381 1.00 0.00 H new ATOM 0 HD2 LYS B 50 -5.627 -1.401 18.210 1.00 0.00 H new ATOM 0 HD3 LYS B 50 -6.647 -0.002 18.478 1.00 0.00 H new ATOM 0 HE2 LYS B 50 -8.061 -1.278 20.053 1.00 0.00 H new ATOM 0 HE3 LYS B 50 -7.166 -2.747 19.716 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 -6.495 -1.643 21.779 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 -5.210 -1.798 20.679 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 -5.973 -0.295 20.887 1.00 0.00 H new ATOM 1644 N THR B 51 -6.383 1.976 13.937 1.00 0.00 N ATOM 1645 CA THR B 51 -6.019 2.419 12.570 1.00 0.00 C ATOM 1646 C THR B 51 -4.973 3.538 12.574 1.00 0.00 C ATOM 1647 O THR B 51 -5.041 4.481 13.365 1.00 0.00 O ATOM 1648 CB THR B 51 -7.260 2.849 11.757 1.00 0.00 C ATOM 1649 OG1 THR B 51 -8.183 1.788 11.626 1.00 0.00 O ATOM 1650 CG2 THR B 51 -6.946 3.299 10.325 1.00 0.00 C ATOM 0 H THR B 51 -6.672 2.735 14.554 1.00 0.00 H new ATOM 0 HA THR B 51 -5.572 1.552 12.084 1.00 0.00 H new ATOM 0 HB THR B 51 -7.663 3.687 12.326 1.00 0.00 H new ATOM 0 HG1 THR B 51 -8.456 1.481 12.515 1.00 0.00 H new ATOM 0 HG21 THR B 51 -7.870 3.584 9.822 1.00 0.00 H new ATOM 0 HG22 THR B 51 -6.269 4.153 10.352 1.00 0.00 H new ATOM 0 HG23 THR B 51 -6.475 2.480 9.781 1.00 0.00 H new ATOM 1658 N PHE B 52 -4.009 3.433 11.660 1.00 0.00 N ATOM 1659 CA PHE B 52 -2.910 4.358 11.394 1.00 0.00 C ATOM 1660 C PHE B 52 -3.194 5.160 10.110 1.00 0.00 C ATOM 1661 O PHE B 52 -3.784 4.638 9.161 1.00 0.00 O ATOM 1662 CB PHE B 52 -1.606 3.568 11.210 1.00 0.00 C ATOM 1663 CG PHE B 52 -1.052 2.925 12.464 1.00 0.00 C ATOM 1664 CD1 PHE B 52 -1.491 1.647 12.860 1.00 0.00 C ATOM 1665 CD2 PHE B 52 -0.088 3.604 13.235 1.00 0.00 C ATOM 1666 CE1 PHE B 52 -0.958 1.041 14.012 1.00 0.00 C ATOM 1667 CE2 PHE B 52 0.430 3.005 14.396 1.00 0.00 C ATOM 1668 CZ PHE B 52 -0.003 1.726 14.784 1.00 0.00 C ATOM 0 H PHE B 52 -3.975 2.629 11.033 1.00 0.00 H new ATOM 0 HA PHE B 52 -2.814 5.043 12.237 1.00 0.00 H new ATOM 0 HB2 PHE B 52 -1.775 2.788 10.467 1.00 0.00 H new ATOM 0 HB3 PHE B 52 -0.850 4.238 10.802 1.00 0.00 H new ATOM 0 HD1 PHE B 52 -2.239 1.130 12.277 1.00 0.00 H new ATOM 0 HD2 PHE B 52 0.253 4.584 12.934 1.00 0.00 H new ATOM 0 HE1 PHE B 52 -1.281 0.052 14.303 1.00 0.00 H new ATOM 0 HE2 PHE B 52 1.163 3.529 14.991 1.00 0.00 H new ATOM 0 HZ PHE B 52 0.398 1.268 15.676 1.00 0.00 H new ATOM 1678 N THR B 53 -2.767 6.416 10.063 1.00 0.00 N ATOM 1679 CA THR B 53 -2.914 7.297 8.891 1.00 0.00 C ATOM 1680 C THR B 53 -1.569 7.947 8.541 1.00 0.00 C ATOM 1681 O THR B 53 -0.794 8.297 9.434 1.00 0.00 O ATOM 1682 CB THR B 53 -3.981 8.381 9.156 1.00 0.00 C ATOM 1683 OG1 THR B 53 -5.208 7.801 9.550 1.00 0.00 O ATOM 1684 CG2 THR B 53 -4.282 9.252 7.934 1.00 0.00 C ATOM 0 H THR B 53 -2.299 6.868 10.849 1.00 0.00 H new ATOM 0 HA THR B 53 -3.241 6.693 8.045 1.00 0.00 H new ATOM 0 HB THR B 53 -3.555 9.001 9.945 1.00 0.00 H new ATOM 0 HG1 THR B 53 -5.867 8.508 9.714 1.00 0.00 H new ATOM 0 HG21 THR B 53 -5.040 9.992 8.192 1.00 0.00 H new ATOM 0 HG22 THR B 53 -3.372 9.761 7.617 1.00 0.00 H new ATOM 0 HG23 THR B 53 -4.649 8.625 7.122 1.00 0.00 H new ATOM 1692 N VAL B 54 -1.294 8.107 7.243 1.00 0.00 N ATOM 1693 CA VAL B 54 -0.075 8.727 6.679 1.00 0.00 C ATOM 1694 C VAL B 54 -0.485 9.781 5.643 1.00 0.00 C ATOM 1695 O VAL B 54 -1.225 9.470 4.710 1.00 0.00 O ATOM 1696 CB VAL B 54 0.862 7.677 6.049 1.00 0.00 C ATOM 1697 CG1 VAL B 54 2.184 8.314 5.601 1.00 0.00 C ATOM 1698 CG2 VAL B 54 1.206 6.560 7.043 1.00 0.00 C ATOM 0 H VAL B 54 -1.940 7.796 6.518 1.00 0.00 H new ATOM 0 HA VAL B 54 0.481 9.202 7.487 1.00 0.00 H new ATOM 0 HB VAL B 54 0.327 7.265 5.193 1.00 0.00 H new ATOM 0 HG11 VAL B 54 2.825 7.550 5.161 1.00 0.00 H new ATOM 0 HG12 VAL B 54 1.982 9.089 4.862 1.00 0.00 H new ATOM 0 HG13 VAL B 54 2.685 8.756 6.462 1.00 0.00 H new ATOM 0 HG21 VAL B 54 1.868 5.838 6.564 1.00 0.00 H new ATOM 0 HG22 VAL B 54 1.704 6.988 7.913 1.00 0.00 H new ATOM 0 HG23 VAL B 54 0.291 6.059 7.359 1.00 0.00 H new ATOM 1708 N THR B 55 -0.084 11.036 5.859 1.00 0.00 N ATOM 1709 CA THR B 55 -0.520 12.204 5.061 1.00 0.00 C ATOM 1710 C THR B 55 0.669 13.117 4.700 1.00 0.00 C ATOM 1711 O THR B 55 1.542 13.325 5.547 1.00 0.00 O ATOM 1712 CB THR B 55 -1.639 12.971 5.795 1.00 0.00 C ATOM 1713 OG1 THR B 55 -2.747 12.127 6.025 1.00 0.00 O ATOM 1714 CG2 THR B 55 -2.179 14.177 5.024 1.00 0.00 C ATOM 0 H THR B 55 0.565 11.283 6.606 1.00 0.00 H new ATOM 0 HA THR B 55 -0.931 11.842 4.119 1.00 0.00 H new ATOM 0 HB THR B 55 -1.173 13.317 6.718 1.00 0.00 H new ATOM 0 HG1 THR B 55 -3.448 12.627 6.493 1.00 0.00 H new ATOM 0 HG21 THR B 55 -2.962 14.661 5.608 1.00 0.00 H new ATOM 0 HG22 THR B 55 -1.370 14.885 4.843 1.00 0.00 H new ATOM 0 HG23 THR B 55 -2.590 13.845 4.071 1.00 0.00 H new ATOM 1722 N GLU B 56 0.732 13.665 3.474 1.00 0.00 N ATOM 1723 CA GLU B 56 1.711 14.719 3.108 1.00 0.00 C ATOM 1724 C GLU B 56 1.279 16.084 3.655 1.00 0.00 C ATOM 1725 O GLU B 56 0.153 16.524 3.341 1.00 0.00 O ATOM 1726 CB GLU B 56 1.914 14.833 1.591 1.00 0.00 C ATOM 1727 CG GLU B 56 2.878 13.777 1.052 1.00 0.00 C ATOM 1728 CD GLU B 56 3.187 14.056 -0.410 1.00 0.00 C ATOM 1729 OE1 GLU B 56 3.969 14.994 -0.685 1.00 0.00 O ATOM 1730 OE2 GLU B 56 2.636 13.343 -1.274 1.00 0.00 O ATOM 1731 OXT GLU B 56 2.080 16.704 4.387 1.00 0.00 O ATOM 0 H GLU B 56 0.113 13.396 2.709 1.00 0.00 H new ATOM 0 HA GLU B 56 2.658 14.421 3.558 1.00 0.00 H new ATOM 0 HB2 GLU B 56 0.951 14.732 1.090 1.00 0.00 H new ATOM 0 HB3 GLU B 56 2.296 15.826 1.352 1.00 0.00 H new ATOM 0 HG2 GLU B 56 3.799 13.782 1.635 1.00 0.00 H new ATOM 0 HG3 GLU B 56 2.440 12.785 1.157 1.00 0.00 H new TER 1738 GLU B 56