USER MOD reduce.3.24.130724 H: found=0, std=0, add=631, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 626 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 43 SER OG : rot -97:sc= 0.847 USER MOD Set 1.2: A 45 SER OG : rot -171:sc= 0.739 USER MOD Set 2.1: A 32 HIS : no HD1:sc= -0.0106 X(o=-1.8,f=-1.8) USER MOD Set 2.2: A 34 GLN : amide:sc= -1.75 K(o=-1.8,f=-3.6!) USER MOD Set 3.1: A 30 TYR OH : rot -175:sc= -1.31! USER MOD Set 3.2: B -9 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 ASN : amide:sc= -0.0386 X(o=-0.039,f=0) USER MOD Single : A 2 GLN : amide:sc= 0.0295 K(o=0.029,f=-0.81) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A -4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A -4 MET N :NH3+ 150:sc= 0.454 (180deg=-0.127) USER MOD Single : A 14 ASN : amide:sc= -0.671 K(o=-0.67,f=0) USER MOD Single : A 16 ASN : amide:sc= -0.343 X(o=-0.34,f=-0.055) USER MOD Single : A 29 SER OG : rot 62:sc= 0.182 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 ASN : amide:sc= -1.4 K(o=-1.4,f=-14!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= -0.133 USER MOD Single : A 59 GLN : amide:sc= -0.559 X(o=-0.56,f=-0.41) USER MOD Single : B 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 4 SER OG : rot 180:sc= 0 USER MOD Single : B 5 SER OG : rot 180:sc= 0 USER MOD Single : B -4 SER OG : rot -62:sc= 0.508 USER MOD Single : B -8 LYS NZ :NH3+ 153:sc= 0.0734 (180deg=0.0156) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A -4 1.150 0.753 -0.759 1.00 4.53 N ATOM 2 CA MET A -4 2.342 0.535 -1.571 1.00 31.54 C ATOM 3 C MET A -4 2.402 -0.905 -2.071 1.00 30.45 C ATOM 4 O MET A -4 3.483 -1.465 -2.249 1.00 60.42 O ATOM 5 CB MET A -4 3.601 0.860 -0.765 1.00 20.01 C ATOM 6 CG MET A -4 3.796 2.347 -0.517 1.00 24.11 C ATOM 7 SD MET A -4 3.014 2.905 1.009 1.00 52.35 S ATOM 8 CE MET A -4 4.292 3.968 1.675 1.00 10.05 C ATOM 0 H1 MET A -4 1.345 1.485 -0.046 1.00 4.53 H new ATOM 0 H2 MET A -4 0.366 1.063 -1.369 1.00 4.53 H new ATOM 0 H3 MET A -4 0.888 -0.133 -0.282 1.00 4.53 H new ATOM 0 HA MET A -4 2.290 1.199 -2.434 1.00 31.54 H new ATOM 0 HB2 MET A -4 3.552 0.343 0.194 1.00 20.01 H new ATOM 0 HB3 MET A -4 4.471 0.471 -1.293 1.00 20.01 H new ATOM 0 HG2 MET A -4 4.863 2.568 -0.476 1.00 24.11 H new ATOM 0 HG3 MET A -4 3.386 2.908 -1.357 1.00 24.11 H new ATOM 0 HE1 MET A -4 3.957 4.390 2.622 1.00 10.05 H new ATOM 0 HE2 MET A -4 5.200 3.387 1.838 1.00 10.05 H new ATOM 0 HE3 MET A -4 4.498 4.774 0.971 1.00 10.05 H new ATOM 18 N ALA A -3 1.234 -1.499 -2.294 1.00 50.30 N ATOM 19 CA ALA A -3 1.155 -2.872 -2.775 1.00 34.52 C ATOM 20 C ALA A -3 1.433 -2.947 -4.272 1.00 50.13 C ATOM 21 O ALA A -3 0.518 -2.839 -5.089 1.00 71.41 O ATOM 22 CB ALA A -3 -0.211 -3.464 -2.460 1.00 14.21 C ATOM 0 H ALA A -3 0.330 -1.050 -2.149 1.00 50.30 H new ATOM 0 HA ALA A -3 1.919 -3.455 -2.261 1.00 34.52 H new ATOM 0 HB1 ALA A -3 -0.256 -4.490 -2.825 1.00 14.21 H new ATOM 0 HB2 ALA A -3 -0.372 -3.455 -1.382 1.00 14.21 H new ATOM 0 HB3 ALA A -3 -0.985 -2.871 -2.947 1.00 14.21 H new ATOM 28 N ILE A -2 2.701 -3.131 -4.625 1.00 53.32 N ATOM 29 CA ILE A -2 3.098 -3.220 -6.025 1.00 3.33 C ATOM 30 C ILE A -2 4.154 -4.301 -6.229 1.00 32.14 C ATOM 31 O ILE A -2 5.262 -4.210 -5.700 1.00 51.12 O ATOM 32 CB ILE A -2 3.649 -1.877 -6.540 1.00 1.10 C ATOM 33 CG1 ILE A -2 2.596 -0.777 -6.389 1.00 71.24 C ATOM 34 CG2 ILE A -2 4.085 -2.005 -7.992 1.00 32.31 C ATOM 35 CD1 ILE A -2 3.145 0.618 -6.591 1.00 65.50 C ATOM 0 H ILE A -2 3.470 -3.221 -3.961 1.00 53.32 H new ATOM 0 HA ILE A -2 2.203 -3.478 -6.591 1.00 3.33 H new ATOM 0 HB ILE A -2 4.519 -1.605 -5.943 1.00 1.10 H new ATOM 0 HG12 ILE A -2 1.795 -0.951 -7.108 1.00 71.24 H new ATOM 0 HG13 ILE A -2 2.153 -0.844 -5.395 1.00 71.24 H new ATOM 0 HG21 ILE A -2 4.472 -1.048 -8.341 1.00 32.31 H new ATOM 0 HG22 ILE A -2 4.864 -2.763 -8.072 1.00 32.31 H new ATOM 0 HG23 ILE A -2 3.231 -2.296 -8.604 1.00 32.31 H new ATOM 0 HD11 ILE A -2 2.343 1.346 -6.469 1.00 65.50 H new ATOM 0 HD12 ILE A -2 3.926 0.812 -5.855 1.00 65.50 H new ATOM 0 HD13 ILE A -2 3.563 0.703 -7.594 1.00 65.50 H new ATOM 47 N VAL A -1 3.803 -5.325 -7.000 1.00 51.15 N ATOM 48 CA VAL A -1 4.721 -6.423 -7.278 1.00 32.35 C ATOM 49 C VAL A -1 5.888 -5.960 -8.142 1.00 11.53 C ATOM 50 O VAL A -1 6.996 -6.483 -8.038 1.00 44.11 O ATOM 51 CB VAL A -1 4.004 -7.589 -7.985 1.00 0.12 C ATOM 52 CG1 VAL A -1 4.964 -8.746 -8.215 1.00 5.31 C ATOM 53 CG2 VAL A -1 2.797 -8.040 -7.177 1.00 33.22 C ATOM 0 H VAL A -1 2.889 -5.417 -7.443 1.00 51.15 H new ATOM 0 HA VAL A -1 5.100 -6.769 -6.316 1.00 32.35 H new ATOM 0 HB VAL A -1 3.653 -7.241 -8.957 1.00 0.12 H new ATOM 0 HG11 VAL A -1 4.439 -9.560 -8.715 1.00 5.31 H new ATOM 0 HG12 VAL A -1 5.794 -8.412 -8.838 1.00 5.31 H new ATOM 0 HG13 VAL A -1 5.348 -9.096 -7.257 1.00 5.31 H new ATOM 0 HG21 VAL A -1 2.302 -8.864 -7.691 1.00 33.22 H new ATOM 0 HG22 VAL A -1 3.122 -8.371 -6.191 1.00 33.22 H new ATOM 0 HG23 VAL A -1 2.100 -7.209 -7.070 1.00 33.22 H new ATOM 63 N ASN A 1 5.630 -4.973 -8.994 1.00 64.14 N ATOM 64 CA ASN A 1 6.660 -4.438 -9.878 1.00 2.14 C ATOM 65 C ASN A 1 7.151 -5.506 -10.850 1.00 42.34 C ATOM 66 O ASN A 1 8.350 -5.769 -10.944 1.00 34.42 O ATOM 67 CB ASN A 1 7.835 -3.900 -9.058 1.00 52.42 C ATOM 68 CG ASN A 1 8.557 -2.765 -9.759 1.00 15.32 C ATOM 69 OD1 ASN A 1 9.714 -2.902 -10.156 1.00 55.35 O ATOM 70 ND2 ASN A 1 7.875 -1.636 -9.913 1.00 15.33 N ATOM 0 H ASN A 1 4.718 -4.528 -9.091 1.00 64.14 H new ATOM 0 HA ASN A 1 6.222 -3.622 -10.453 1.00 2.14 H new ATOM 0 HB2 ASN A 1 7.471 -3.553 -8.091 1.00 52.42 H new ATOM 0 HB3 ASN A 1 8.539 -4.709 -8.862 1.00 52.42 H new ATOM 0 HD21 ASN A 1 8.309 -0.837 -10.376 1.00 15.33 H new ATOM 0 HD22 ASN A 1 6.918 -1.567 -9.568 1.00 15.33 H new ATOM 77 N GLN A 2 6.217 -6.115 -11.572 1.00 75.44 N ATOM 78 CA GLN A 2 6.555 -7.154 -12.538 1.00 34.30 C ATOM 79 C GLN A 2 6.356 -6.656 -13.966 1.00 32.14 C ATOM 80 O GLN A 2 5.267 -6.215 -14.333 1.00 51.14 O ATOM 81 CB GLN A 2 5.702 -8.401 -12.297 1.00 32.11 C ATOM 82 CG GLN A 2 6.208 -9.635 -13.027 1.00 54.32 C ATOM 83 CD GLN A 2 7.628 -9.999 -12.643 1.00 42.23 C ATOM 84 OE1 GLN A 2 8.058 -9.763 -11.514 1.00 2.31 O ATOM 85 NE2 GLN A 2 8.366 -10.577 -13.584 1.00 20.55 N ATOM 0 H GLN A 2 5.220 -5.907 -11.507 1.00 75.44 H new ATOM 0 HA GLN A 2 7.606 -7.410 -12.405 1.00 34.30 H new ATOM 0 HB2 GLN A 2 5.671 -8.609 -11.227 1.00 32.11 H new ATOM 0 HB3 GLN A 2 4.678 -8.197 -12.612 1.00 32.11 H new ATOM 0 HG2 GLN A 2 5.550 -10.476 -12.810 1.00 54.32 H new ATOM 0 HG3 GLN A 2 6.159 -9.462 -14.102 1.00 54.32 H new ATOM 0 HE21 GLN A 2 7.969 -10.754 -14.507 1.00 20.55 H new ATOM 0 HE22 GLN A 2 9.330 -10.844 -13.384 1.00 20.55 H new ATOM 94 N ARG A 3 7.415 -6.729 -14.765 1.00 73.45 N ATOM 95 CA ARG A 3 7.357 -6.284 -16.153 1.00 34.35 C ATOM 96 C ARG A 3 6.576 -7.276 -17.010 1.00 20.33 C ATOM 97 O ARG A 3 6.360 -8.420 -16.611 1.00 60.42 O ATOM 98 CB ARG A 3 8.769 -6.110 -16.714 1.00 11.30 C ATOM 99 CG ARG A 3 9.470 -7.423 -17.020 1.00 35.54 C ATOM 100 CD ARG A 3 10.950 -7.358 -16.679 1.00 0.23 C ATOM 101 NE ARG A 3 11.212 -7.759 -15.299 1.00 64.32 N ATOM 102 CZ ARG A 3 12.433 -7.905 -14.796 1.00 31.22 C ATOM 103 NH1 ARG A 3 13.497 -7.683 -15.554 1.00 64.23 N ATOM 104 NH2 ARG A 3 12.590 -8.273 -13.531 1.00 25.43 N ATOM 0 H ARG A 3 8.323 -7.092 -14.476 1.00 73.45 H new ATOM 0 HA ARG A 3 6.842 -5.324 -16.179 1.00 34.35 H new ATOM 0 HB2 ARG A 3 8.718 -5.515 -17.626 1.00 11.30 H new ATOM 0 HB3 ARG A 3 9.368 -5.547 -15.999 1.00 11.30 H new ATOM 0 HG2 ARG A 3 9.000 -8.228 -16.454 1.00 35.54 H new ATOM 0 HG3 ARG A 3 9.349 -7.663 -18.076 1.00 35.54 H new ATOM 0 HD2 ARG A 3 11.507 -8.005 -17.357 1.00 0.23 H new ATOM 0 HD3 ARG A 3 11.314 -6.343 -16.837 1.00 0.23 H new ATOM 0 HE ARG A 3 10.414 -7.937 -14.689 1.00 64.32 H new ATOM 0 HH11 ARG A 3 13.380 -7.399 -16.527 1.00 64.23 H new ATOM 0 HH12 ARG A 3 14.433 -7.796 -15.165 1.00 64.23 H new ATOM 0 HH21 ARG A 3 11.773 -8.444 -12.944 1.00 25.43 H new ATOM 0 HH22 ARG A 3 13.527 -8.385 -13.145 1.00 25.43 H new ATOM 118 N ALA A 4 6.155 -6.829 -18.188 1.00 62.13 N ATOM 119 CA ALA A 4 5.400 -7.677 -19.102 1.00 61.40 C ATOM 120 C ALA A 4 5.528 -7.186 -20.540 1.00 24.11 C ATOM 121 O ALA A 4 5.765 -6.003 -20.784 1.00 11.25 O ATOM 122 CB ALA A 4 3.937 -7.728 -18.688 1.00 11.10 C ATOM 0 H ALA A 4 6.324 -5.884 -18.532 1.00 62.13 H new ATOM 0 HA ALA A 4 5.816 -8.683 -19.051 1.00 61.40 H new ATOM 0 HB1 ALA A 4 3.385 -8.365 -19.379 1.00 11.10 H new ATOM 0 HB2 ALA A 4 3.858 -8.134 -17.679 1.00 11.10 H new ATOM 0 HB3 ALA A 4 3.518 -6.722 -18.708 1.00 11.10 H new ATOM 128 N VAL A 5 5.372 -8.103 -21.490 1.00 15.41 N ATOM 129 CA VAL A 5 5.469 -7.762 -22.904 1.00 64.32 C ATOM 130 C VAL A 5 4.090 -7.699 -23.551 1.00 64.51 C ATOM 131 O VAL A 5 3.170 -8.407 -23.144 1.00 14.15 O ATOM 132 CB VAL A 5 6.337 -8.781 -23.668 1.00 13.32 C ATOM 133 CG1 VAL A 5 5.651 -10.138 -23.714 1.00 52.45 C ATOM 134 CG2 VAL A 5 6.637 -8.277 -25.072 1.00 21.44 C ATOM 0 H VAL A 5 5.178 -9.087 -21.306 1.00 15.41 H new ATOM 0 HA VAL A 5 5.938 -6.780 -22.961 1.00 64.32 H new ATOM 0 HB VAL A 5 7.283 -8.897 -23.139 1.00 13.32 H new ATOM 0 HG11 VAL A 5 6.278 -10.845 -24.257 1.00 52.45 H new ATOM 0 HG12 VAL A 5 5.492 -10.500 -22.698 1.00 52.45 H new ATOM 0 HG13 VAL A 5 4.690 -10.043 -24.220 1.00 52.45 H new ATOM 0 HG21 VAL A 5 7.251 -9.008 -25.598 1.00 21.44 H new ATOM 0 HG22 VAL A 5 5.702 -8.131 -25.614 1.00 21.44 H new ATOM 0 HG23 VAL A 5 7.173 -7.330 -25.012 1.00 21.44 H new ATOM 144 N ALA A 6 3.955 -6.848 -24.562 1.00 44.23 N ATOM 145 CA ALA A 6 2.689 -6.694 -25.268 1.00 23.11 C ATOM 146 C ALA A 6 2.583 -7.681 -26.426 1.00 11.41 C ATOM 147 O ALA A 6 3.233 -7.514 -27.459 1.00 11.31 O ATOM 148 CB ALA A 6 2.536 -5.267 -25.772 1.00 51.22 C ATOM 0 H ALA A 6 4.707 -6.254 -24.911 1.00 44.23 H new ATOM 0 HA ALA A 6 1.882 -6.908 -24.567 1.00 23.11 H new ATOM 0 HB1 ALA A 6 1.586 -5.167 -26.297 1.00 51.22 H new ATOM 0 HB2 ALA A 6 2.558 -4.578 -24.927 1.00 51.22 H new ATOM 0 HB3 ALA A 6 3.354 -5.032 -26.453 1.00 51.22 H new ATOM 154 N LEU A 7 1.761 -8.709 -26.247 1.00 53.44 N ATOM 155 CA LEU A 7 1.570 -9.723 -27.278 1.00 34.31 C ATOM 156 C LEU A 7 0.778 -9.162 -28.455 1.00 5.20 C ATOM 157 O LEU A 7 1.041 -9.498 -29.610 1.00 23.52 O ATOM 158 CB LEU A 7 0.846 -10.939 -26.696 1.00 64.22 C ATOM 159 CG LEU A 7 1.321 -11.407 -25.320 1.00 35.21 C ATOM 160 CD1 LEU A 7 0.428 -12.523 -24.799 1.00 22.11 C ATOM 161 CD2 LEU A 7 2.770 -11.866 -25.383 1.00 30.41 C ATOM 0 H LEU A 7 1.216 -8.862 -25.398 1.00 53.44 H new ATOM 0 HA LEU A 7 2.552 -10.029 -27.638 1.00 34.31 H new ATOM 0 HB2 LEU A 7 -0.217 -10.708 -26.632 1.00 64.22 H new ATOM 0 HB3 LEU A 7 0.950 -11.768 -27.396 1.00 64.22 H new ATOM 0 HG LEU A 7 1.258 -10.566 -24.629 1.00 35.21 H new ATOM 0 HD11 LEU A 7 0.781 -12.844 -23.819 1.00 22.11 H new ATOM 0 HD12 LEU A 7 -0.596 -12.160 -24.715 1.00 22.11 H new ATOM 0 HD13 LEU A 7 0.459 -13.366 -25.489 1.00 22.11 H new ATOM 0 HD21 LEU A 7 3.091 -12.195 -24.395 1.00 30.41 H new ATOM 0 HD22 LEU A 7 2.859 -12.693 -26.088 1.00 30.41 H new ATOM 0 HD23 LEU A 7 3.400 -11.039 -25.712 1.00 30.41 H new ATOM 173 N TYR A 8 -0.189 -8.303 -28.155 1.00 34.14 N ATOM 174 CA TYR A 8 -1.019 -7.695 -29.188 1.00 11.33 C ATOM 175 C TYR A 8 -1.358 -6.250 -28.833 1.00 40.15 C ATOM 176 O TYR A 8 -1.406 -5.881 -27.660 1.00 25.43 O ATOM 177 CB TYR A 8 -2.306 -8.500 -29.378 1.00 44.00 C ATOM 178 CG TYR A 8 -2.115 -9.991 -29.219 1.00 35.54 C ATOM 179 CD1 TYR A 8 -1.503 -10.744 -30.213 1.00 3.02 C ATOM 180 CD2 TYR A 8 -2.548 -10.648 -28.073 1.00 30.01 C ATOM 181 CE1 TYR A 8 -1.328 -12.107 -30.072 1.00 2.15 C ATOM 182 CE2 TYR A 8 -2.376 -12.010 -27.922 1.00 61.53 C ATOM 183 CZ TYR A 8 -1.766 -12.736 -28.925 1.00 2.54 C ATOM 184 OH TYR A 8 -1.592 -14.093 -28.779 1.00 51.14 O ATOM 0 H TYR A 8 -0.418 -8.012 -27.205 1.00 34.14 H new ATOM 0 HA TYR A 8 -0.455 -7.699 -30.121 1.00 11.33 H new ATOM 0 HB2 TYR A 8 -3.048 -8.158 -28.657 1.00 44.00 H new ATOM 0 HB3 TYR A 8 -2.709 -8.297 -30.370 1.00 44.00 H new ATOM 0 HD1 TYR A 8 -1.158 -10.255 -31.112 1.00 3.02 H new ATOM 0 HD2 TYR A 8 -3.027 -10.083 -27.287 1.00 30.01 H new ATOM 0 HE1 TYR A 8 -0.851 -12.677 -30.855 1.00 2.15 H new ATOM 0 HE2 TYR A 8 -2.717 -12.504 -27.024 1.00 61.53 H new ATOM 0 HH TYR A 8 -1.955 -14.378 -27.914 1.00 51.14 H new ATOM 194 N ASP A 9 -1.593 -5.437 -29.857 1.00 52.51 N ATOM 195 CA ASP A 9 -1.930 -4.032 -29.656 1.00 3.11 C ATOM 196 C ASP A 9 -3.370 -3.881 -29.176 1.00 61.50 C ATOM 197 O ASP A 9 -4.266 -4.590 -29.635 1.00 64.44 O ATOM 198 CB ASP A 9 -1.726 -3.246 -30.952 1.00 51.11 C ATOM 199 CG ASP A 9 -2.803 -3.535 -31.980 1.00 24.24 C ATOM 200 OD1 ASP A 9 -3.875 -2.899 -31.911 1.00 34.34 O ATOM 201 OD2 ASP A 9 -2.572 -4.397 -32.853 1.00 41.24 O ATOM 0 H ASP A 9 -1.556 -5.726 -30.834 1.00 52.51 H new ATOM 0 HA ASP A 9 -1.267 -3.631 -28.889 1.00 3.11 H new ATOM 0 HB2 ASP A 9 -1.718 -2.179 -30.729 1.00 51.11 H new ATOM 0 HB3 ASP A 9 -0.751 -3.491 -31.373 1.00 51.11 H new ATOM 206 N PHE A 10 -3.585 -2.954 -28.249 1.00 34.55 N ATOM 207 CA PHE A 10 -4.916 -2.712 -27.704 1.00 75.35 C ATOM 208 C PHE A 10 -5.099 -1.240 -27.348 1.00 43.10 C ATOM 209 O PHE A 10 -4.158 -0.574 -26.918 1.00 25.22 O ATOM 210 CB PHE A 10 -5.151 -3.581 -26.467 1.00 24.01 C ATOM 211 CG PHE A 10 -6.214 -3.046 -25.551 1.00 2.40 C ATOM 212 CD1 PHE A 10 -7.548 -3.353 -25.763 1.00 11.15 C ATOM 213 CD2 PHE A 10 -5.879 -2.234 -24.479 1.00 22.42 C ATOM 214 CE1 PHE A 10 -8.529 -2.862 -24.921 1.00 71.24 C ATOM 215 CE2 PHE A 10 -6.855 -1.741 -23.634 1.00 72.11 C ATOM 216 CZ PHE A 10 -8.182 -2.054 -23.856 1.00 70.34 C ATOM 0 H PHE A 10 -2.855 -2.358 -27.859 1.00 34.55 H new ATOM 0 HA PHE A 10 -5.647 -2.976 -28.468 1.00 75.35 H new ATOM 0 HB2 PHE A 10 -5.430 -4.585 -26.786 1.00 24.01 H new ATOM 0 HB3 PHE A 10 -4.217 -3.670 -25.913 1.00 24.01 H new ATOM 0 HD1 PHE A 10 -7.825 -3.983 -26.595 1.00 11.15 H new ATOM 0 HD2 PHE A 10 -4.843 -1.984 -24.302 1.00 22.42 H new ATOM 0 HE1 PHE A 10 -9.565 -3.110 -25.096 1.00 71.24 H new ATOM 0 HE2 PHE A 10 -6.580 -1.111 -22.801 1.00 72.11 H new ATOM 0 HZ PHE A 10 -8.946 -1.668 -23.198 1.00 70.34 H new ATOM 226 N GLU A 11 -6.316 -0.739 -27.531 1.00 75.12 N ATOM 227 CA GLU A 11 -6.622 0.655 -27.230 1.00 62.34 C ATOM 228 C GLU A 11 -7.606 0.758 -26.069 1.00 74.41 C ATOM 229 O GLU A 11 -8.505 -0.068 -25.909 1.00 73.42 O ATOM 230 CB GLU A 11 -7.198 1.352 -28.465 1.00 25.22 C ATOM 231 CG GLU A 11 -6.362 2.526 -28.946 1.00 0.23 C ATOM 232 CD GLU A 11 -6.532 2.795 -30.428 1.00 72.14 C ATOM 233 OE1 GLU A 11 -7.687 2.784 -30.904 1.00 10.32 O ATOM 234 OE2 GLU A 11 -5.511 3.015 -31.113 1.00 15.30 O ATOM 0 H GLU A 11 -7.106 -1.277 -27.886 1.00 75.12 H new ATOM 0 HA GLU A 11 -5.694 1.150 -26.942 1.00 62.34 H new ATOM 0 HB2 GLU A 11 -7.288 0.626 -29.273 1.00 25.22 H new ATOM 0 HB3 GLU A 11 -8.205 1.703 -28.238 1.00 25.22 H new ATOM 0 HG2 GLU A 11 -6.639 3.418 -28.385 1.00 0.23 H new ATOM 0 HG3 GLU A 11 -5.311 2.330 -28.734 1.00 0.23 H new ATOM 241 N PRO A 12 -7.434 1.796 -25.238 1.00 23.13 N ATOM 242 CA PRO A 12 -8.297 2.032 -24.077 1.00 4.44 C ATOM 243 C PRO A 12 -9.704 2.462 -24.478 1.00 23.42 C ATOM 244 O PRO A 12 -9.894 3.112 -25.505 1.00 33.30 O ATOM 245 CB PRO A 12 -7.585 3.164 -23.330 1.00 61.52 C ATOM 246 CG PRO A 12 -6.798 3.873 -24.378 1.00 34.40 C ATOM 247 CD PRO A 12 -6.383 2.819 -25.368 1.00 10.53 C ATOM 0 HA PRO A 12 -8.434 1.129 -23.482 1.00 4.44 H new ATOM 0 HB2 PRO A 12 -8.300 3.833 -22.851 1.00 61.52 H new ATOM 0 HB3 PRO A 12 -6.938 2.774 -22.545 1.00 61.52 H new ATOM 0 HG2 PRO A 12 -7.397 4.646 -24.859 1.00 34.40 H new ATOM 0 HG3 PRO A 12 -5.928 4.367 -23.945 1.00 34.40 H new ATOM 0 HD2 PRO A 12 -6.333 3.217 -26.381 1.00 10.53 H new ATOM 0 HD3 PRO A 12 -5.398 2.415 -25.135 1.00 10.53 H new ATOM 255 N GLU A 13 -10.685 2.094 -23.660 1.00 75.24 N ATOM 256 CA GLU A 13 -12.075 2.441 -23.932 1.00 13.50 C ATOM 257 C GLU A 13 -12.580 3.482 -22.936 1.00 74.24 C ATOM 258 O GLU A 13 -13.571 4.167 -23.188 1.00 22.14 O ATOM 259 CB GLU A 13 -12.958 1.193 -23.873 1.00 65.31 C ATOM 260 CG GLU A 13 -14.435 1.481 -24.078 1.00 12.10 C ATOM 261 CD GLU A 13 -14.735 2.043 -25.454 1.00 64.54 C ATOM 262 OE1 GLU A 13 -14.842 1.245 -26.409 1.00 75.32 O ATOM 263 OE2 GLU A 13 -14.861 3.279 -25.577 1.00 62.30 O ATOM 0 H GLU A 13 -10.543 1.556 -22.805 1.00 75.24 H new ATOM 0 HA GLU A 13 -12.127 2.866 -24.934 1.00 13.50 H new ATOM 0 HB2 GLU A 13 -12.625 0.487 -24.634 1.00 65.31 H new ATOM 0 HB3 GLU A 13 -12.822 0.708 -22.907 1.00 65.31 H new ATOM 0 HG2 GLU A 13 -15.004 0.563 -23.933 1.00 12.10 H new ATOM 0 HG3 GLU A 13 -14.772 2.188 -23.320 1.00 12.10 H new ATOM 270 N ASN A 14 -11.892 3.593 -21.805 1.00 63.11 N ATOM 271 CA ASN A 14 -12.271 4.548 -20.770 1.00 45.45 C ATOM 272 C ASN A 14 -11.241 5.669 -20.662 1.00 1.03 C ATOM 273 O ASN A 14 -10.215 5.652 -21.343 1.00 33.04 O ATOM 274 CB ASN A 14 -12.415 3.841 -19.422 1.00 20.33 C ATOM 275 CG ASN A 14 -13.600 2.895 -19.389 1.00 62.32 C ATOM 276 OD1 ASN A 14 -14.646 3.211 -18.822 1.00 42.34 O ATOM 277 ND2 ASN A 14 -13.440 1.726 -19.999 1.00 32.32 N ATOM 0 H ASN A 14 -11.069 3.034 -21.582 1.00 63.11 H new ATOM 0 HA ASN A 14 -13.230 4.985 -21.047 1.00 45.45 H new ATOM 0 HB2 ASN A 14 -11.503 3.284 -19.208 1.00 20.33 H new ATOM 0 HB3 ASN A 14 -12.526 4.586 -18.634 1.00 20.33 H new ATOM 0 HD21 ASN A 14 -14.202 1.048 -20.010 1.00 32.32 H new ATOM 0 HD22 ASN A 14 -12.555 1.506 -20.456 1.00 32.32 H new ATOM 284 N ASP A 15 -11.522 6.641 -19.801 1.00 4.12 N ATOM 285 CA ASP A 15 -10.620 7.769 -19.601 1.00 5.41 C ATOM 286 C ASP A 15 -9.625 7.479 -18.481 1.00 73.51 C ATOM 287 O ASP A 15 -9.050 8.395 -17.896 1.00 25.53 O ATOM 288 CB ASP A 15 -11.415 9.035 -19.277 1.00 72.14 C ATOM 289 CG ASP A 15 -12.672 9.159 -20.116 1.00 62.05 C ATOM 290 OD1 ASP A 15 -12.619 8.822 -21.318 1.00 31.20 O ATOM 291 OD2 ASP A 15 -13.708 9.592 -19.571 1.00 52.54 O ATOM 0 H ASP A 15 -12.367 6.670 -19.231 1.00 4.12 H new ATOM 0 HA ASP A 15 -10.064 7.925 -20.526 1.00 5.41 H new ATOM 0 HB2 ASP A 15 -11.685 9.031 -18.221 1.00 72.14 H new ATOM 0 HB3 ASP A 15 -10.784 9.909 -19.441 1.00 72.14 H new ATOM 296 N ASN A 16 -9.430 6.197 -18.188 1.00 71.11 N ATOM 297 CA ASN A 16 -8.507 5.785 -17.137 1.00 43.20 C ATOM 298 C ASN A 16 -7.761 4.515 -17.535 1.00 4.30 C ATOM 299 O ASN A 16 -7.124 3.871 -16.702 1.00 15.13 O ATOM 300 CB ASN A 16 -9.262 5.557 -15.826 1.00 73.33 C ATOM 301 CG ASN A 16 -10.648 4.982 -16.050 1.00 43.23 C ATOM 302 OD1 ASN A 16 -11.610 5.719 -16.269 1.00 25.12 O ATOM 303 ND2 ASN A 16 -10.755 3.660 -15.997 1.00 34.35 N ATOM 0 H ASN A 16 -9.899 5.426 -18.664 1.00 71.11 H new ATOM 0 HA ASN A 16 -7.779 6.583 -16.995 1.00 43.20 H new ATOM 0 HB2 ASN A 16 -8.689 4.880 -15.193 1.00 73.33 H new ATOM 0 HB3 ASN A 16 -9.346 6.502 -15.289 1.00 73.33 H new ATOM 0 HD21 ASN A 16 -11.662 3.216 -16.141 1.00 34.35 H new ATOM 0 HD22 ASN A 16 -9.930 3.089 -15.813 1.00 34.35 H new ATOM 310 N GLU A 17 -7.844 4.163 -18.814 1.00 62.21 N ATOM 311 CA GLU A 17 -7.177 2.970 -19.322 1.00 25.21 C ATOM 312 C GLU A 17 -5.901 3.338 -20.074 1.00 4.44 C ATOM 313 O GLU A 17 -5.743 4.469 -20.536 1.00 14.44 O ATOM 314 CB GLU A 17 -8.115 2.186 -20.242 1.00 30.03 C ATOM 315 CG GLU A 17 -9.146 1.357 -19.495 1.00 74.32 C ATOM 316 CD GLU A 17 -9.640 0.174 -20.305 1.00 35.42 C ATOM 317 OE1 GLU A 17 -8.844 -0.380 -21.092 1.00 12.11 O ATOM 318 OE2 GLU A 17 -10.822 -0.199 -20.152 1.00 15.42 O ATOM 0 H GLU A 17 -8.366 4.686 -19.517 1.00 62.21 H new ATOM 0 HA GLU A 17 -6.909 2.345 -18.470 1.00 25.21 H new ATOM 0 HB2 GLU A 17 -8.631 2.884 -20.901 1.00 30.03 H new ATOM 0 HB3 GLU A 17 -7.522 1.527 -20.876 1.00 30.03 H new ATOM 0 HG2 GLU A 17 -8.711 0.998 -18.562 1.00 74.32 H new ATOM 0 HG3 GLU A 17 -9.993 1.990 -19.229 1.00 74.32 H new ATOM 325 N LEU A 18 -4.992 2.377 -20.192 1.00 20.44 N ATOM 326 CA LEU A 18 -3.729 2.599 -20.887 1.00 23.35 C ATOM 327 C LEU A 18 -3.729 1.912 -22.249 1.00 4.52 C ATOM 328 O LEU A 18 -4.458 0.945 -22.468 1.00 0.15 O ATOM 329 CB LEU A 18 -2.562 2.082 -20.043 1.00 10.44 C ATOM 330 CG LEU A 18 -1.209 2.753 -20.285 1.00 75.15 C ATOM 331 CD1 LEU A 18 -0.599 3.216 -18.971 1.00 74.45 C ATOM 332 CD2 LEU A 18 -0.266 1.803 -21.009 1.00 4.33 C ATOM 0 H LEU A 18 -5.106 1.436 -19.815 1.00 20.44 H new ATOM 0 HA LEU A 18 -3.611 3.672 -21.041 1.00 23.35 H new ATOM 0 HB2 LEU A 18 -2.821 2.200 -18.991 1.00 10.44 H new ATOM 0 HB3 LEU A 18 -2.453 1.013 -20.226 1.00 10.44 H new ATOM 0 HG LEU A 18 -1.366 3.628 -20.915 1.00 75.15 H new ATOM 0 HD11 LEU A 18 0.363 3.691 -19.164 1.00 74.45 H new ATOM 0 HD12 LEU A 18 -1.267 3.932 -18.492 1.00 74.45 H new ATOM 0 HD13 LEU A 18 -0.455 2.358 -18.314 1.00 74.45 H new ATOM 0 HD21 LEU A 18 0.692 2.296 -21.173 1.00 4.33 H new ATOM 0 HD22 LEU A 18 -0.115 0.909 -20.404 1.00 4.33 H new ATOM 0 HD23 LEU A 18 -0.699 1.522 -21.969 1.00 4.33 H new ATOM 344 N ARG A 19 -2.904 2.418 -23.160 1.00 54.44 N ATOM 345 CA ARG A 19 -2.809 1.854 -24.501 1.00 64.50 C ATOM 346 C ARG A 19 -1.709 0.798 -24.569 1.00 3.11 C ATOM 347 O ARG A 19 -0.749 0.835 -23.797 1.00 54.01 O ATOM 348 CB ARG A 19 -2.535 2.957 -25.524 1.00 41.42 C ATOM 349 CG ARG A 19 -3.258 4.260 -25.223 1.00 60.11 C ATOM 350 CD ARG A 19 -3.828 4.886 -26.486 1.00 64.15 C ATOM 351 NE ARG A 19 -3.883 6.343 -26.398 1.00 72.44 N ATOM 352 CZ ARG A 19 -4.024 7.138 -27.453 1.00 63.32 C ATOM 353 NH1 ARG A 19 -4.123 6.620 -28.670 1.00 23.34 N ATOM 354 NH2 ARG A 19 -4.066 8.454 -27.292 1.00 41.22 N ATOM 0 H ARG A 19 -2.292 3.217 -22.994 1.00 54.44 H new ATOM 0 HA ARG A 19 -3.761 1.379 -24.736 1.00 64.50 H new ATOM 0 HB2 ARG A 19 -1.462 3.147 -25.562 1.00 41.42 H new ATOM 0 HB3 ARG A 19 -2.832 2.606 -26.512 1.00 41.42 H new ATOM 0 HG2 ARG A 19 -4.063 4.075 -24.512 1.00 60.11 H new ATOM 0 HG3 ARG A 19 -2.569 4.959 -24.749 1.00 60.11 H new ATOM 0 HD2 ARG A 19 -3.217 4.597 -27.341 1.00 64.15 H new ATOM 0 HD3 ARG A 19 -4.830 4.495 -26.664 1.00 64.15 H new ATOM 0 HE ARG A 19 -3.809 6.774 -25.476 1.00 72.44 H new ATOM 0 HH11 ARG A 19 -4.091 5.609 -28.798 1.00 23.34 H new ATOM 0 HH12 ARG A 19 -4.231 7.233 -29.478 1.00 23.34 H new ATOM 0 HH21 ARG A 19 -3.990 8.856 -26.358 1.00 41.22 H new ATOM 0 HH22 ARG A 19 -4.174 9.064 -28.102 1.00 41.22 H new ATOM 368 N LEU A 20 -1.854 -0.142 -25.496 1.00 54.34 N ATOM 369 CA LEU A 20 -0.874 -1.208 -25.665 1.00 63.53 C ATOM 370 C LEU A 20 -0.585 -1.454 -27.143 1.00 33.02 C ATOM 371 O LEU A 20 -1.451 -1.258 -27.995 1.00 70.22 O ATOM 372 CB LEU A 20 -1.375 -2.497 -25.011 1.00 22.03 C ATOM 373 CG LEU A 20 -0.399 -3.189 -24.058 1.00 72.44 C ATOM 374 CD1 LEU A 20 0.178 -2.191 -23.067 1.00 35.35 C ATOM 375 CD2 LEU A 20 -1.088 -4.333 -23.328 1.00 10.23 C ATOM 0 H LEU A 20 -2.642 -0.187 -26.143 1.00 54.34 H new ATOM 0 HA LEU A 20 0.051 -0.897 -25.180 1.00 63.53 H new ATOM 0 HB2 LEU A 20 -2.289 -2.271 -24.462 1.00 22.03 H new ATOM 0 HB3 LEU A 20 -1.643 -3.201 -25.799 1.00 22.03 H new ATOM 0 HG LEU A 20 0.422 -3.601 -24.645 1.00 72.44 H new ATOM 0 HD11 LEU A 20 0.870 -2.702 -22.397 1.00 35.35 H new ATOM 0 HD12 LEU A 20 0.708 -1.407 -23.607 1.00 35.35 H new ATOM 0 HD13 LEU A 20 -0.630 -1.748 -22.485 1.00 35.35 H new ATOM 0 HD21 LEU A 20 -0.379 -4.814 -22.654 1.00 10.23 H new ATOM 0 HD22 LEU A 20 -1.928 -3.944 -22.753 1.00 10.23 H new ATOM 0 HD23 LEU A 20 -1.451 -5.061 -24.053 1.00 10.23 H new ATOM 387 N ALA A 21 0.636 -1.886 -27.438 1.00 43.11 N ATOM 388 CA ALA A 21 1.037 -2.163 -28.812 1.00 5.41 C ATOM 389 C ALA A 21 1.954 -3.379 -28.882 1.00 32.52 C ATOM 390 O ALA A 21 2.858 -3.534 -28.062 1.00 3.11 O ATOM 391 CB ALA A 21 1.724 -0.947 -29.416 1.00 44.21 C ATOM 0 H ALA A 21 1.365 -2.052 -26.744 1.00 43.11 H new ATOM 0 HA ALA A 21 0.139 -2.384 -29.389 1.00 5.41 H new ATOM 0 HB1 ALA A 21 2.018 -1.168 -30.442 1.00 44.21 H new ATOM 0 HB2 ALA A 21 1.037 -0.100 -29.409 1.00 44.21 H new ATOM 0 HB3 ALA A 21 2.609 -0.701 -28.830 1.00 44.21 H new ATOM 397 N GLU A 22 1.713 -4.241 -29.865 1.00 55.44 N ATOM 398 CA GLU A 22 2.516 -5.445 -30.040 1.00 2.31 C ATOM 399 C GLU A 22 4.005 -5.111 -30.031 1.00 3.01 C ATOM 400 O GLU A 22 4.486 -4.344 -30.864 1.00 72.45 O ATOM 401 CB GLU A 22 2.147 -6.146 -31.349 1.00 44.41 C ATOM 402 CG GLU A 22 2.911 -7.438 -31.584 1.00 4.21 C ATOM 403 CD GLU A 22 3.584 -7.479 -32.942 1.00 62.22 C ATOM 404 OE1 GLU A 22 2.866 -7.406 -33.962 1.00 2.14 O ATOM 405 OE2 GLU A 22 4.828 -7.585 -32.986 1.00 75.12 O ATOM 0 H GLU A 22 0.968 -4.128 -30.552 1.00 55.44 H new ATOM 0 HA GLU A 22 2.306 -6.115 -29.206 1.00 2.31 H new ATOM 0 HB2 GLU A 22 1.078 -6.361 -31.348 1.00 44.41 H new ATOM 0 HB3 GLU A 22 2.334 -5.467 -32.181 1.00 44.41 H new ATOM 0 HG2 GLU A 22 3.665 -7.557 -30.805 1.00 4.21 H new ATOM 0 HG3 GLU A 22 2.226 -8.282 -31.496 1.00 4.21 H new ATOM 412 N GLY A 23 4.731 -5.693 -29.080 1.00 54.23 N ATOM 413 CA GLY A 23 6.157 -5.445 -28.979 1.00 51.12 C ATOM 414 C GLY A 23 6.487 -4.364 -27.969 1.00 23.43 C ATOM 415 O GLY A 23 7.656 -4.045 -27.751 1.00 22.21 O ATOM 0 H GLY A 23 4.356 -6.332 -28.378 1.00 54.23 H new ATOM 0 HA2 GLY A 23 6.664 -6.368 -28.698 1.00 51.12 H new ATOM 0 HA3 GLY A 23 6.542 -5.155 -29.956 1.00 51.12 H new ATOM 419 N ASP A 24 5.456 -3.799 -27.351 1.00 50.23 N ATOM 420 CA ASP A 24 5.642 -2.747 -26.359 1.00 3.14 C ATOM 421 C ASP A 24 5.863 -3.342 -24.971 1.00 51.03 C ATOM 422 O ASP A 24 5.318 -4.397 -24.644 1.00 43.30 O ATOM 423 CB ASP A 24 4.431 -1.813 -26.340 1.00 31.40 C ATOM 424 CG ASP A 24 4.289 -1.023 -27.626 1.00 3.01 C ATOM 425 OD1 ASP A 24 4.484 -1.613 -28.709 1.00 33.11 O ATOM 426 OD2 ASP A 24 3.985 0.186 -27.549 1.00 70.02 O ATOM 0 H ASP A 24 4.482 -4.052 -27.520 1.00 50.23 H new ATOM 0 HA ASP A 24 6.528 -2.174 -26.635 1.00 3.14 H new ATOM 0 HB2 ASP A 24 3.527 -2.399 -26.175 1.00 31.40 H new ATOM 0 HB3 ASP A 24 4.521 -1.123 -25.501 1.00 31.40 H new ATOM 431 N ILE A 25 6.665 -2.660 -24.161 1.00 41.42 N ATOM 432 CA ILE A 25 6.957 -3.121 -22.810 1.00 3.02 C ATOM 433 C ILE A 25 6.159 -2.335 -21.776 1.00 14.22 C ATOM 434 O ILE A 25 5.963 -1.127 -21.913 1.00 60.25 O ATOM 435 CB ILE A 25 8.458 -2.998 -22.485 1.00 12.20 C ATOM 436 CG1 ILE A 25 9.287 -3.798 -23.491 1.00 61.32 C ATOM 437 CG2 ILE A 25 8.733 -3.473 -21.066 1.00 43.12 C ATOM 438 CD1 ILE A 25 9.511 -5.237 -23.081 1.00 73.02 C ATOM 0 H ILE A 25 7.124 -1.786 -24.417 1.00 41.42 H new ATOM 0 HA ILE A 25 6.669 -4.171 -22.766 1.00 3.02 H new ATOM 0 HB ILE A 25 8.746 -1.949 -22.558 1.00 12.20 H new ATOM 0 HG12 ILE A 25 8.787 -3.778 -24.459 1.00 61.32 H new ATOM 0 HG13 ILE A 25 10.253 -3.311 -23.622 1.00 61.32 H new ATOM 0 HG21 ILE A 25 9.798 -3.380 -20.851 1.00 43.12 H new ATOM 0 HG22 ILE A 25 8.166 -2.864 -20.362 1.00 43.12 H new ATOM 0 HG23 ILE A 25 8.433 -4.516 -20.967 1.00 43.12 H new ATOM 0 HD11 ILE A 25 10.106 -5.743 -23.841 1.00 73.02 H new ATOM 0 HD12 ILE A 25 10.039 -5.266 -22.128 1.00 73.02 H new ATOM 0 HD13 ILE A 25 8.549 -5.740 -22.978 1.00 73.02 H new ATOM 450 N VAL A 26 5.700 -3.028 -20.738 1.00 41.12 N ATOM 451 CA VAL A 26 4.925 -2.395 -19.678 1.00 51.52 C ATOM 452 C VAL A 26 5.262 -2.994 -18.318 1.00 33.33 C ATOM 453 O VAL A 26 5.781 -4.107 -18.229 1.00 72.20 O ATOM 454 CB VAL A 26 3.412 -2.535 -19.929 1.00 33.43 C ATOM 455 CG1 VAL A 26 2.924 -1.451 -20.877 1.00 40.21 C ATOM 456 CG2 VAL A 26 3.089 -3.918 -20.476 1.00 1.24 C ATOM 0 H VAL A 26 5.852 -4.028 -20.609 1.00 41.12 H new ATOM 0 HA VAL A 26 5.189 -1.338 -19.681 1.00 51.52 H new ATOM 0 HB VAL A 26 2.891 -2.413 -18.979 1.00 33.43 H new ATOM 0 HG11 VAL A 26 1.853 -1.567 -21.042 1.00 40.21 H new ATOM 0 HG12 VAL A 26 3.120 -0.471 -20.441 1.00 40.21 H new ATOM 0 HG13 VAL A 26 3.449 -1.537 -21.829 1.00 40.21 H new ATOM 0 HG21 VAL A 26 2.016 -4.000 -20.648 1.00 1.24 H new ATOM 0 HG22 VAL A 26 3.619 -4.071 -21.416 1.00 1.24 H new ATOM 0 HG23 VAL A 26 3.400 -4.676 -19.757 1.00 1.24 H new ATOM 466 N PHE A 27 4.962 -2.250 -17.258 1.00 44.45 N ATOM 467 CA PHE A 27 5.234 -2.707 -15.901 1.00 32.42 C ATOM 468 C PHE A 27 3.937 -2.872 -15.113 1.00 64.21 C ATOM 469 O PHE A 27 3.305 -1.889 -14.726 1.00 73.21 O ATOM 470 CB PHE A 27 6.158 -1.722 -15.183 1.00 2.11 C ATOM 471 CG PHE A 27 7.509 -1.589 -15.827 1.00 13.12 C ATOM 472 CD1 PHE A 27 8.320 -2.699 -16.002 1.00 13.51 C ATOM 473 CD2 PHE A 27 7.967 -0.354 -16.256 1.00 63.05 C ATOM 474 CE1 PHE A 27 9.563 -2.580 -16.594 1.00 52.34 C ATOM 475 CE2 PHE A 27 9.209 -0.229 -16.850 1.00 21.10 C ATOM 476 CZ PHE A 27 10.008 -1.343 -17.018 1.00 64.01 C ATOM 0 H PHE A 27 4.530 -1.328 -17.313 1.00 44.45 H new ATOM 0 HA PHE A 27 5.727 -3.677 -15.963 1.00 32.42 H new ATOM 0 HB2 PHE A 27 5.680 -0.743 -15.154 1.00 2.11 H new ATOM 0 HB3 PHE A 27 6.287 -2.044 -14.150 1.00 2.11 H new ATOM 0 HD1 PHE A 27 7.977 -3.668 -15.672 1.00 13.51 H new ATOM 0 HD2 PHE A 27 7.347 0.521 -16.125 1.00 63.05 H new ATOM 0 HE1 PHE A 27 10.186 -3.453 -16.725 1.00 52.34 H new ATOM 0 HE2 PHE A 27 9.554 0.739 -17.182 1.00 21.10 H new ATOM 0 HZ PHE A 27 10.979 -1.247 -17.480 1.00 64.01 H new ATOM 486 N ILE A 28 3.548 -4.121 -14.880 1.00 63.13 N ATOM 487 CA ILE A 28 2.328 -4.415 -14.139 1.00 23.12 C ATOM 488 C ILE A 28 2.501 -4.113 -12.654 1.00 62.31 C ATOM 489 O ILE A 28 3.124 -4.882 -11.922 1.00 60.52 O ATOM 490 CB ILE A 28 1.909 -5.887 -14.306 1.00 74.45 C ATOM 491 CG1 ILE A 28 2.027 -6.310 -15.772 1.00 73.41 C ATOM 492 CG2 ILE A 28 0.488 -6.094 -13.803 1.00 11.32 C ATOM 493 CD1 ILE A 28 1.180 -5.480 -16.711 1.00 11.11 C ATOM 0 H ILE A 28 4.060 -4.945 -15.194 1.00 63.13 H new ATOM 0 HA ILE A 28 1.547 -3.775 -14.550 1.00 23.12 H new ATOM 0 HB ILE A 28 2.578 -6.509 -13.712 1.00 74.45 H new ATOM 0 HG12 ILE A 28 3.071 -6.240 -16.079 1.00 73.41 H new ATOM 0 HG13 ILE A 28 1.737 -7.357 -15.864 1.00 73.41 H new ATOM 0 HG21 ILE A 28 0.207 -7.140 -13.928 1.00 11.32 H new ATOM 0 HG22 ILE A 28 0.433 -5.827 -12.748 1.00 11.32 H new ATOM 0 HG23 ILE A 28 -0.195 -5.464 -14.373 1.00 11.32 H new ATOM 0 HD11 ILE A 28 1.314 -5.836 -17.732 1.00 11.11 H new ATOM 0 HD12 ILE A 28 0.131 -5.570 -16.430 1.00 11.11 H new ATOM 0 HD13 ILE A 28 1.484 -4.435 -16.648 1.00 11.11 H new ATOM 505 N SER A 29 1.944 -2.989 -12.216 1.00 31.15 N ATOM 506 CA SER A 29 2.038 -2.584 -10.818 1.00 32.01 C ATOM 507 C SER A 29 1.317 -3.580 -9.914 1.00 51.41 C ATOM 508 O SER A 29 1.788 -3.898 -8.822 1.00 0.20 O ATOM 509 CB SER A 29 1.446 -1.186 -10.629 1.00 44.33 C ATOM 510 OG SER A 29 2.417 -0.184 -10.879 1.00 52.41 O ATOM 0 H SER A 29 1.423 -2.343 -12.808 1.00 31.15 H new ATOM 0 HA SER A 29 3.092 -2.565 -10.541 1.00 32.01 H new ATOM 0 HB2 SER A 29 0.599 -1.052 -11.302 1.00 44.33 H new ATOM 0 HB3 SER A 29 1.065 -1.083 -9.613 1.00 44.33 H new ATOM 0 HG SER A 29 2.714 -0.242 -11.811 1.00 52.41 H new ATOM 516 N TYR A 30 0.172 -4.068 -10.378 1.00 13.45 N ATOM 517 CA TYR A 30 -0.617 -5.025 -9.611 1.00 62.22 C ATOM 518 C TYR A 30 -1.811 -5.520 -10.422 1.00 23.32 C ATOM 519 O TYR A 30 -2.374 -4.785 -11.233 1.00 14.25 O ATOM 520 CB TYR A 30 -1.100 -4.391 -8.306 1.00 12.01 C ATOM 521 CG TYR A 30 -2.208 -3.380 -8.498 1.00 0.02 C ATOM 522 CD1 TYR A 30 -3.541 -3.772 -8.497 1.00 60.52 C ATOM 523 CD2 TYR A 30 -1.922 -2.033 -8.681 1.00 11.34 C ATOM 524 CE1 TYR A 30 -4.557 -2.853 -8.673 1.00 4.42 C ATOM 525 CE2 TYR A 30 -2.931 -1.106 -8.855 1.00 51.34 C ATOM 526 CZ TYR A 30 -4.247 -1.520 -8.851 1.00 64.40 C ATOM 527 OH TYR A 30 -5.255 -0.600 -9.026 1.00 64.23 O ATOM 0 H TYR A 30 -0.230 -3.817 -11.281 1.00 13.45 H new ATOM 0 HA TYR A 30 0.020 -5.878 -9.378 1.00 62.22 H new ATOM 0 HB2 TYR A 30 -1.449 -5.178 -7.637 1.00 12.01 H new ATOM 0 HB3 TYR A 30 -0.257 -3.905 -7.814 1.00 12.01 H new ATOM 0 HD1 TYR A 30 -3.787 -4.814 -8.356 1.00 60.52 H new ATOM 0 HD2 TYR A 30 -0.893 -1.705 -8.687 1.00 11.34 H new ATOM 0 HE1 TYR A 30 -5.588 -3.176 -8.671 1.00 4.42 H new ATOM 0 HE2 TYR A 30 -2.691 -0.062 -8.994 1.00 51.34 H new ATOM 0 HH TYR A 30 -4.866 0.279 -9.216 1.00 64.23 H new ATOM 537 N LYS A 31 -2.192 -6.773 -10.196 1.00 41.03 N ATOM 538 CA LYS A 31 -3.320 -7.369 -10.903 1.00 3.05 C ATOM 539 C LYS A 31 -4.641 -6.962 -10.259 1.00 33.24 C ATOM 540 O LYS A 31 -4.725 -6.796 -9.041 1.00 40.43 O ATOM 541 CB LYS A 31 -3.193 -8.894 -10.913 1.00 33.13 C ATOM 542 CG LYS A 31 -4.474 -9.608 -11.310 1.00 2.11 C ATOM 543 CD LYS A 31 -4.231 -11.085 -11.572 1.00 3.21 C ATOM 544 CE LYS A 31 -5.502 -11.900 -11.389 1.00 42.13 C ATOM 545 NZ LYS A 31 -5.508 -12.636 -10.095 1.00 4.12 N ATOM 0 H LYS A 31 -1.736 -7.395 -9.529 1.00 41.03 H new ATOM 0 HA LYS A 31 -3.309 -7.003 -11.930 1.00 3.05 H new ATOM 0 HB2 LYS A 31 -2.399 -9.180 -11.603 1.00 33.13 H new ATOM 0 HB3 LYS A 31 -2.891 -9.232 -9.922 1.00 33.13 H new ATOM 0 HG2 LYS A 31 -5.215 -9.495 -10.518 1.00 2.11 H new ATOM 0 HG3 LYS A 31 -4.889 -9.142 -12.204 1.00 2.11 H new ATOM 0 HD2 LYS A 31 -3.855 -11.219 -12.586 1.00 3.21 H new ATOM 0 HD3 LYS A 31 -3.460 -11.454 -10.895 1.00 3.21 H new ATOM 0 HE2 LYS A 31 -6.367 -11.238 -11.434 1.00 42.13 H new ATOM 0 HE3 LYS A 31 -5.600 -12.610 -12.211 1.00 42.13 H new ATOM 0 HZ1 LYS A 31 -6.391 -13.179 -10.009 1.00 4.12 H new ATOM 0 HZ2 LYS A 31 -4.697 -13.286 -10.062 1.00 4.12 H new ATOM 0 HZ3 LYS A 31 -5.441 -11.958 -9.310 1.00 4.12 H new ATOM 559 N HIS A 32 -5.672 -6.805 -11.083 1.00 14.03 N ATOM 560 CA HIS A 32 -6.991 -6.420 -10.593 1.00 10.34 C ATOM 561 C HIS A 32 -8.082 -7.261 -11.249 1.00 43.42 C ATOM 562 O HIS A 32 -7.922 -7.735 -12.373 1.00 24.11 O ATOM 563 CB HIS A 32 -7.244 -4.936 -10.860 1.00 53.22 C ATOM 564 CG HIS A 32 -8.300 -4.340 -9.981 1.00 34.33 C ATOM 565 ND1 HIS A 32 -8.210 -4.318 -8.605 1.00 24.20 N ATOM 566 CD2 HIS A 32 -9.474 -3.741 -10.288 1.00 75.35 C ATOM 567 CE1 HIS A 32 -9.283 -3.733 -8.104 1.00 41.15 C ATOM 568 NE2 HIS A 32 -10.066 -3.373 -9.105 1.00 52.03 N ATOM 0 H HIS A 32 -5.620 -6.938 -12.093 1.00 14.03 H new ATOM 0 HA HIS A 32 -7.018 -6.598 -9.518 1.00 10.34 H new ATOM 0 HB2 HIS A 32 -6.313 -4.386 -10.719 1.00 53.22 H new ATOM 0 HB3 HIS A 32 -7.536 -4.808 -11.902 1.00 53.22 H new ATOM 0 HD2 HIS A 32 -9.872 -3.582 -11.279 1.00 75.35 H new ATOM 0 HE1 HIS A 32 -9.486 -3.576 -7.055 1.00 41.15 H new ATOM 0 HE2 HIS A 32 -10.964 -2.899 -9.014 1.00 52.03 H new ATOM 576 N GLY A 33 -9.191 -7.442 -10.539 1.00 12.40 N ATOM 577 CA GLY A 33 -10.291 -8.226 -11.069 1.00 13.04 C ATOM 578 C GLY A 33 -10.809 -7.683 -12.386 1.00 32.04 C ATOM 579 O GLY A 33 -10.250 -6.735 -12.936 1.00 23.03 O ATOM 0 H GLY A 33 -9.347 -7.060 -9.606 1.00 12.40 H new ATOM 0 HA2 GLY A 33 -9.965 -9.257 -11.208 1.00 13.04 H new ATOM 0 HA3 GLY A 33 -11.103 -8.244 -10.342 1.00 13.04 H new ATOM 583 N GLN A 34 -11.879 -8.286 -12.893 1.00 35.33 N ATOM 584 CA GLN A 34 -12.471 -7.858 -14.155 1.00 64.30 C ATOM 585 C GLN A 34 -11.522 -8.126 -15.319 1.00 32.21 C ATOM 586 O GLN A 34 -11.736 -7.644 -16.431 1.00 21.45 O ATOM 587 CB GLN A 34 -12.821 -6.370 -14.100 1.00 34.43 C ATOM 588 CG GLN A 34 -13.545 -5.963 -12.827 1.00 13.05 C ATOM 589 CD GLN A 34 -12.626 -5.302 -11.818 1.00 60.14 C ATOM 590 OE1 GLN A 34 -11.951 -4.320 -12.127 1.00 44.14 O ATOM 591 NE2 GLN A 34 -12.595 -5.839 -10.604 1.00 53.41 N ATOM 0 H GLN A 34 -12.354 -9.072 -12.449 1.00 35.33 H new ATOM 0 HA GLN A 34 -13.383 -8.433 -14.313 1.00 64.30 H new ATOM 0 HB2 GLN A 34 -11.905 -5.786 -14.190 1.00 34.43 H new ATOM 0 HB3 GLN A 34 -13.444 -6.120 -14.959 1.00 34.43 H new ATOM 0 HG2 GLN A 34 -14.355 -5.278 -13.078 1.00 13.05 H new ATOM 0 HG3 GLN A 34 -14.000 -6.844 -12.375 1.00 13.05 H new ATOM 0 HE21 GLN A 34 -13.171 -6.653 -10.392 1.00 53.41 H new ATOM 0 HE22 GLN A 34 -11.995 -5.437 -9.884 1.00 53.41 H new ATOM 600 N GLY A 35 -10.472 -8.898 -15.055 1.00 33.41 N ATOM 601 CA GLY A 35 -9.506 -9.216 -16.090 1.00 74.52 C ATOM 602 C GLY A 35 -8.700 -8.008 -16.522 1.00 53.33 C ATOM 603 O GLY A 35 -8.253 -7.928 -17.667 1.00 34.35 O ATOM 0 H GLY A 35 -10.273 -9.309 -14.143 1.00 33.41 H new ATOM 0 HA2 GLY A 35 -8.829 -9.989 -15.726 1.00 74.52 H new ATOM 0 HA3 GLY A 35 -10.027 -9.629 -16.954 1.00 74.52 H new ATOM 607 N TRP A 36 -8.516 -7.064 -15.606 1.00 64.03 N ATOM 608 CA TRP A 36 -7.759 -5.852 -15.900 1.00 11.02 C ATOM 609 C TRP A 36 -6.590 -5.693 -14.934 1.00 12.42 C ATOM 610 O TRP A 36 -6.742 -5.873 -13.725 1.00 21.31 O ATOM 611 CB TRP A 36 -8.671 -4.626 -15.823 1.00 63.25 C ATOM 612 CG TRP A 36 -9.662 -4.552 -16.945 1.00 60.42 C ATOM 613 CD1 TRP A 36 -10.981 -4.901 -16.897 1.00 75.31 C ATOM 614 CD2 TRP A 36 -9.412 -4.103 -18.281 1.00 71.45 C ATOM 615 NE1 TRP A 36 -11.567 -4.696 -18.123 1.00 61.22 N ATOM 616 CE2 TRP A 36 -10.626 -4.206 -18.989 1.00 64.33 C ATOM 617 CE3 TRP A 36 -8.282 -3.622 -18.948 1.00 72.54 C ATOM 618 CZ2 TRP A 36 -10.738 -3.847 -20.330 1.00 21.12 C ATOM 619 CZ3 TRP A 36 -8.395 -3.267 -20.279 1.00 12.31 C ATOM 620 CH2 TRP A 36 -9.616 -3.380 -20.958 1.00 3.50 C ATOM 0 H TRP A 36 -8.880 -7.114 -14.654 1.00 64.03 H new ATOM 0 HA TRP A 36 -7.361 -5.937 -16.911 1.00 11.02 H new ATOM 0 HB2 TRP A 36 -9.207 -4.640 -14.874 1.00 63.25 H new ATOM 0 HB3 TRP A 36 -8.058 -3.725 -15.829 1.00 63.25 H new ATOM 0 HD1 TRP A 36 -11.489 -5.282 -16.024 1.00 75.31 H new ATOM 0 HE1 TRP A 36 -12.544 -4.879 -18.351 1.00 61.22 H new ATOM 0 HE3 TRP A 36 -7.337 -3.529 -18.433 1.00 72.54 H new ATOM 0 HZ2 TRP A 36 -11.677 -3.934 -20.856 1.00 21.12 H new ATOM 0 HZ3 TRP A 36 -7.528 -2.896 -20.805 1.00 12.31 H new ATOM 0 HH2 TRP A 36 -9.672 -3.093 -21.998 1.00 3.50 H new ATOM 631 N LEU A 37 -5.425 -5.353 -15.473 1.00 63.23 N ATOM 632 CA LEU A 37 -4.229 -5.169 -14.658 1.00 50.00 C ATOM 633 C LEU A 37 -3.666 -3.762 -14.828 1.00 2.43 C ATOM 634 O LEU A 37 -3.517 -3.272 -15.947 1.00 51.13 O ATOM 635 CB LEU A 37 -3.167 -6.204 -15.034 1.00 33.25 C ATOM 636 CG LEU A 37 -3.689 -7.528 -15.593 1.00 31.32 C ATOM 637 CD1 LEU A 37 -2.534 -8.465 -15.913 1.00 13.35 C ATOM 638 CD2 LEU A 37 -4.651 -8.180 -14.610 1.00 24.41 C ATOM 0 H LEU A 37 -5.283 -5.199 -16.471 1.00 63.23 H new ATOM 0 HA LEU A 37 -4.507 -5.306 -13.613 1.00 50.00 H new ATOM 0 HB2 LEU A 37 -2.500 -5.759 -15.772 1.00 33.25 H new ATOM 0 HB3 LEU A 37 -2.567 -6.417 -14.149 1.00 33.25 H new ATOM 0 HG LEU A 37 -4.229 -7.322 -16.517 1.00 31.32 H new ATOM 0 HD11 LEU A 37 -2.925 -9.402 -16.310 1.00 13.35 H new ATOM 0 HD12 LEU A 37 -1.883 -8.001 -16.654 1.00 13.35 H new ATOM 0 HD13 LEU A 37 -1.965 -8.665 -15.005 1.00 13.35 H new ATOM 0 HD21 LEU A 37 -5.012 -9.121 -15.025 1.00 24.41 H new ATOM 0 HD22 LEU A 37 -4.135 -8.372 -13.669 1.00 24.41 H new ATOM 0 HD23 LEU A 37 -5.495 -7.514 -14.431 1.00 24.41 H new ATOM 650 N VAL A 38 -3.352 -3.116 -13.709 1.00 20.44 N ATOM 651 CA VAL A 38 -2.802 -1.767 -13.733 1.00 44.51 C ATOM 652 C VAL A 38 -1.311 -1.787 -14.052 1.00 1.54 C ATOM 653 O VAL A 38 -0.497 -2.214 -13.234 1.00 22.21 O ATOM 654 CB VAL A 38 -3.019 -1.047 -12.388 1.00 65.54 C ATOM 655 CG1 VAL A 38 -2.516 0.386 -12.462 1.00 53.43 C ATOM 656 CG2 VAL A 38 -4.487 -1.087 -11.994 1.00 73.04 C ATOM 0 H VAL A 38 -3.470 -3.506 -12.774 1.00 20.44 H new ATOM 0 HA VAL A 38 -3.331 -1.224 -14.516 1.00 44.51 H new ATOM 0 HB VAL A 38 -2.447 -1.567 -11.620 1.00 65.54 H new ATOM 0 HG11 VAL A 38 -2.678 0.878 -11.503 1.00 53.43 H new ATOM 0 HG12 VAL A 38 -1.451 0.386 -12.695 1.00 53.43 H new ATOM 0 HG13 VAL A 38 -3.058 0.922 -13.241 1.00 53.43 H new ATOM 0 HG21 VAL A 38 -4.622 -0.574 -11.042 1.00 73.04 H new ATOM 0 HG22 VAL A 38 -5.083 -0.592 -12.761 1.00 73.04 H new ATOM 0 HG23 VAL A 38 -4.809 -2.124 -11.897 1.00 73.04 H new ATOM 666 N ALA A 39 -0.960 -1.320 -15.246 1.00 33.32 N ATOM 667 CA ALA A 39 0.433 -1.282 -15.672 1.00 22.11 C ATOM 668 C ALA A 39 0.808 0.099 -16.199 1.00 63.43 C ATOM 669 O ALA A 39 -0.061 0.899 -16.542 1.00 73.21 O ATOM 670 CB ALA A 39 0.690 -2.342 -16.733 1.00 31.12 C ATOM 0 H ALA A 39 -1.622 -0.963 -15.935 1.00 33.32 H new ATOM 0 HA ALA A 39 1.058 -1.493 -14.805 1.00 22.11 H new ATOM 0 HB1 ALA A 39 1.735 -2.302 -17.042 1.00 31.12 H new ATOM 0 HB2 ALA A 39 0.470 -3.328 -16.323 1.00 31.12 H new ATOM 0 HB3 ALA A 39 0.049 -2.157 -17.595 1.00 31.12 H new ATOM 676 N GLU A 40 2.108 0.371 -16.260 1.00 61.35 N ATOM 677 CA GLU A 40 2.597 1.656 -16.745 1.00 12.31 C ATOM 678 C GLU A 40 3.461 1.476 -17.990 1.00 21.15 C ATOM 679 O GLU A 40 3.994 0.395 -18.236 1.00 44.12 O ATOM 680 CB GLU A 40 3.399 2.367 -15.652 1.00 75.24 C ATOM 681 CG GLU A 40 4.720 1.690 -15.329 1.00 72.42 C ATOM 682 CD GLU A 40 4.789 1.200 -13.896 1.00 32.51 C ATOM 683 OE1 GLU A 40 3.908 0.409 -13.497 1.00 22.21 O ATOM 684 OE2 GLU A 40 5.722 1.606 -13.173 1.00 45.34 O ATOM 0 H GLU A 40 2.841 -0.281 -15.980 1.00 61.35 H new ATOM 0 HA GLU A 40 1.734 2.268 -17.009 1.00 12.31 H new ATOM 0 HB2 GLU A 40 3.593 3.393 -15.965 1.00 75.24 H new ATOM 0 HB3 GLU A 40 2.796 2.419 -14.746 1.00 75.24 H new ATOM 0 HG2 GLU A 40 4.867 0.847 -16.005 1.00 72.42 H new ATOM 0 HG3 GLU A 40 5.536 2.389 -15.510 1.00 72.42 H new ATOM 691 N ASN A 41 3.594 2.543 -18.770 1.00 51.24 N ATOM 692 CA ASN A 41 4.392 2.503 -19.990 1.00 41.13 C ATOM 693 C ASN A 41 5.833 2.104 -19.685 1.00 34.21 C ATOM 694 O ASN A 41 6.168 1.778 -18.547 1.00 22.21 O ATOM 695 CB ASN A 41 4.365 3.865 -20.687 1.00 4.10 C ATOM 696 CG ASN A 41 4.909 4.975 -19.808 1.00 33.11 C ATOM 697 OD1 ASN A 41 5.171 4.771 -18.623 1.00 31.05 O ATOM 698 ND2 ASN A 41 5.080 6.158 -20.387 1.00 21.32 N ATOM 0 H ASN A 41 3.160 3.446 -18.579 1.00 51.24 H new ATOM 0 HA ASN A 41 3.959 1.754 -20.653 1.00 41.13 H new ATOM 0 HB2 ASN A 41 4.951 3.812 -21.605 1.00 4.10 H new ATOM 0 HB3 ASN A 41 3.341 4.102 -20.975 1.00 4.10 H new ATOM 0 HD21 ASN A 41 5.442 6.943 -19.846 1.00 21.32 H new ATOM 0 HD22 ASN A 41 4.849 6.281 -21.373 1.00 21.32 H new ATOM 705 N GLU A 42 6.679 2.133 -20.710 1.00 30.13 N ATOM 706 CA GLU A 42 8.083 1.774 -20.550 1.00 62.42 C ATOM 707 C GLU A 42 8.868 2.916 -19.912 1.00 50.20 C ATOM 708 O GLU A 42 9.790 2.689 -19.129 1.00 31.23 O ATOM 709 CB GLU A 42 8.697 1.413 -21.904 1.00 62.53 C ATOM 710 CG GLU A 42 10.051 0.730 -21.796 1.00 53.45 C ATOM 711 CD GLU A 42 11.184 1.714 -21.578 1.00 51.02 C ATOM 712 OE1 GLU A 42 11.008 2.904 -21.913 1.00 42.31 O ATOM 713 OE2 GLU A 42 12.246 1.294 -21.073 1.00 52.11 O ATOM 0 H GLU A 42 6.417 2.401 -21.659 1.00 30.13 H new ATOM 0 HA GLU A 42 8.137 0.907 -19.891 1.00 62.42 H new ATOM 0 HB2 GLU A 42 8.011 0.758 -22.442 1.00 62.53 H new ATOM 0 HB3 GLU A 42 8.804 2.320 -22.499 1.00 62.53 H new ATOM 0 HG2 GLU A 42 10.030 0.017 -20.971 1.00 53.45 H new ATOM 0 HG3 GLU A 42 10.240 0.160 -22.705 1.00 53.45 H new ATOM 720 N SER A 43 8.495 4.146 -20.254 1.00 24.52 N ATOM 721 CA SER A 43 9.166 5.324 -19.718 1.00 44.34 C ATOM 722 C SER A 43 8.862 5.495 -18.233 1.00 62.11 C ATOM 723 O SER A 43 9.607 6.151 -17.507 1.00 2.23 O ATOM 724 CB SER A 43 8.735 6.575 -20.486 1.00 1.40 C ATOM 725 OG SER A 43 9.318 7.741 -19.930 1.00 14.25 O ATOM 0 H SER A 43 7.732 4.352 -20.899 1.00 24.52 H new ATOM 0 HA SER A 43 10.241 5.185 -19.837 1.00 44.34 H new ATOM 0 HB2 SER A 43 9.027 6.482 -21.532 1.00 1.40 H new ATOM 0 HB3 SER A 43 7.649 6.662 -20.465 1.00 1.40 H new ATOM 0 HG SER A 43 8.680 8.167 -19.320 1.00 14.25 H new ATOM 731 N GLY A 44 7.760 4.898 -17.789 1.00 1.23 N ATOM 732 CA GLY A 44 7.375 4.996 -16.393 1.00 23.52 C ATOM 733 C GLY A 44 6.769 6.342 -16.051 1.00 4.20 C ATOM 734 O GLY A 44 6.829 6.784 -14.904 1.00 33.04 O ATOM 0 H GLY A 44 7.127 4.349 -18.371 1.00 1.23 H new ATOM 0 HA2 GLY A 44 6.658 4.209 -16.161 1.00 23.52 H new ATOM 0 HA3 GLY A 44 8.250 4.825 -15.765 1.00 23.52 H new ATOM 738 N SER A 45 6.186 6.998 -17.049 1.00 60.45 N ATOM 739 CA SER A 45 5.571 8.305 -16.850 1.00 65.10 C ATOM 740 C SER A 45 4.056 8.222 -17.004 1.00 32.24 C ATOM 741 O SER A 45 3.321 9.066 -16.492 1.00 15.24 O ATOM 742 CB SER A 45 6.142 9.317 -17.845 1.00 54.15 C ATOM 743 OG SER A 45 7.504 9.045 -18.126 1.00 13.02 O ATOM 0 H SER A 45 6.127 6.645 -18.004 1.00 60.45 H new ATOM 0 HA SER A 45 5.797 8.635 -15.836 1.00 65.10 H new ATOM 0 HB2 SER A 45 5.564 9.289 -18.769 1.00 54.15 H new ATOM 0 HB3 SER A 45 6.045 10.324 -17.440 1.00 54.15 H new ATOM 0 HG SER A 45 7.884 9.782 -18.649 1.00 13.02 H new ATOM 749 N LYS A 46 3.595 7.197 -17.713 1.00 13.12 N ATOM 750 CA LYS A 46 2.167 7.000 -17.935 1.00 1.35 C ATOM 751 C LYS A 46 1.698 5.683 -17.325 1.00 65.22 C ATOM 752 O LYS A 46 2.300 4.632 -17.553 1.00 13.33 O ATOM 753 CB LYS A 46 1.855 7.021 -19.433 1.00 1.14 C ATOM 754 CG LYS A 46 0.791 6.019 -19.846 1.00 43.13 C ATOM 755 CD LYS A 46 0.198 6.363 -21.202 1.00 42.33 C ATOM 756 CE LYS A 46 -0.647 7.626 -21.137 1.00 0.24 C ATOM 757 NZ LYS A 46 -1.473 7.805 -22.363 1.00 0.23 N ATOM 0 H LYS A 46 4.190 6.489 -18.144 1.00 13.12 H new ATOM 0 HA LYS A 46 1.633 7.816 -17.448 1.00 1.35 H new ATOM 0 HB2 LYS A 46 1.528 8.022 -19.714 1.00 1.14 H new ATOM 0 HB3 LYS A 46 2.770 6.817 -19.989 1.00 1.14 H new ATOM 0 HG2 LYS A 46 1.225 5.020 -19.880 1.00 43.13 H new ATOM 0 HG3 LYS A 46 -0.000 5.997 -19.097 1.00 43.13 H new ATOM 0 HD2 LYS A 46 1.000 6.498 -21.927 1.00 42.33 H new ATOM 0 HD3 LYS A 46 -0.414 5.532 -21.554 1.00 42.33 H new ATOM 0 HE2 LYS A 46 -1.298 7.583 -20.264 1.00 0.24 H new ATOM 0 HE3 LYS A 46 0.003 8.491 -21.008 1.00 0.24 H new ATOM 0 HZ1 LYS A 46 -2.034 8.677 -22.279 1.00 0.23 H new ATOM 0 HZ2 LYS A 46 -0.851 7.872 -23.194 1.00 0.23 H new ATOM 0 HZ3 LYS A 46 -2.112 6.992 -22.473 1.00 0.23 H new ATOM 771 N THR A 47 0.620 5.745 -16.550 1.00 71.33 N ATOM 772 CA THR A 47 0.070 4.557 -15.909 1.00 5.02 C ATOM 773 C THR A 47 -1.418 4.413 -16.202 1.00 74.54 C ATOM 774 O THR A 47 -2.121 5.403 -16.399 1.00 73.10 O ATOM 775 CB THR A 47 0.280 4.595 -14.383 1.00 60.33 C ATOM 776 OG1 THR A 47 1.601 5.058 -14.082 1.00 20.25 O ATOM 777 CG2 THR A 47 0.069 3.217 -13.774 1.00 14.12 C ATOM 0 H THR A 47 0.110 6.606 -16.351 1.00 71.33 H new ATOM 0 HA THR A 47 0.603 3.700 -16.321 1.00 5.02 H new ATOM 0 HB THR A 47 -0.451 5.280 -13.954 1.00 60.33 H new ATOM 0 HG1 THR A 47 1.726 5.081 -13.110 1.00 20.25 H new ATOM 0 HG21 THR A 47 0.223 3.268 -12.696 1.00 14.12 H new ATOM 0 HG22 THR A 47 -0.947 2.880 -13.980 1.00 14.12 H new ATOM 0 HG23 THR A 47 0.780 2.514 -14.209 1.00 14.12 H new ATOM 785 N GLY A 48 -1.894 3.171 -16.230 1.00 1.11 N ATOM 786 CA GLY A 48 -3.298 2.920 -16.500 1.00 4.24 C ATOM 787 C GLY A 48 -3.647 1.447 -16.432 1.00 65.45 C ATOM 788 O GLY A 48 -2.917 0.655 -15.835 1.00 24.43 O ATOM 0 H GLY A 48 -1.332 2.335 -16.071 1.00 1.11 H new ATOM 0 HA2 GLY A 48 -3.907 3.468 -15.781 1.00 4.24 H new ATOM 0 HA3 GLY A 48 -3.549 3.304 -17.489 1.00 4.24 H new ATOM 792 N LEU A 49 -4.766 1.077 -17.045 1.00 63.11 N ATOM 793 CA LEU A 49 -5.212 -0.312 -17.051 1.00 64.13 C ATOM 794 C LEU A 49 -4.899 -0.978 -18.387 1.00 73.43 C ATOM 795 O LEU A 49 -5.029 -0.363 -19.445 1.00 51.35 O ATOM 796 CB LEU A 49 -6.713 -0.388 -16.769 1.00 52.44 C ATOM 797 CG LEU A 49 -7.192 0.306 -15.494 1.00 14.22 C ATOM 798 CD1 LEU A 49 -8.564 0.927 -15.707 1.00 50.40 C ATOM 799 CD2 LEU A 49 -7.225 -0.676 -14.332 1.00 64.42 C ATOM 0 H LEU A 49 -5.381 1.719 -17.544 1.00 63.11 H new ATOM 0 HA LEU A 49 -4.674 -0.844 -16.266 1.00 64.13 H new ATOM 0 HB2 LEU A 49 -7.244 0.046 -17.616 1.00 52.44 H new ATOM 0 HB3 LEU A 49 -7.000 -1.438 -16.717 1.00 52.44 H new ATOM 0 HG LEU A 49 -6.489 1.102 -15.251 1.00 14.22 H new ATOM 0 HD11 LEU A 49 -8.888 1.416 -14.789 1.00 50.40 H new ATOM 0 HD12 LEU A 49 -8.510 1.662 -16.510 1.00 50.40 H new ATOM 0 HD13 LEU A 49 -9.278 0.148 -15.975 1.00 50.40 H new ATOM 0 HD21 LEU A 49 -7.568 -0.164 -13.433 1.00 64.42 H new ATOM 0 HD22 LEU A 49 -7.906 -1.494 -14.566 1.00 64.42 H new ATOM 0 HD23 LEU A 49 -6.224 -1.074 -14.163 1.00 64.42 H new ATOM 811 N VAL A 50 -4.489 -2.241 -18.331 1.00 61.53 N ATOM 812 CA VAL A 50 -4.161 -2.993 -19.537 1.00 33.10 C ATOM 813 C VAL A 50 -4.701 -4.417 -19.461 1.00 15.32 C ATOM 814 O VAL A 50 -4.902 -4.974 -18.382 1.00 23.34 O ATOM 815 CB VAL A 50 -2.640 -3.045 -19.770 1.00 43.21 C ATOM 816 CG1 VAL A 50 -2.054 -1.641 -19.789 1.00 32.10 C ATOM 817 CG2 VAL A 50 -1.967 -3.898 -18.705 1.00 43.24 C ATOM 0 H VAL A 50 -4.376 -2.765 -17.463 1.00 61.53 H new ATOM 0 HA VAL A 50 -4.631 -2.473 -20.371 1.00 33.10 H new ATOM 0 HB VAL A 50 -2.454 -3.503 -20.741 1.00 43.21 H new ATOM 0 HG11 VAL A 50 -0.978 -1.698 -19.955 1.00 32.10 H new ATOM 0 HG12 VAL A 50 -2.515 -1.065 -20.592 1.00 32.10 H new ATOM 0 HG13 VAL A 50 -2.249 -1.153 -18.834 1.00 32.10 H new ATOM 0 HG21 VAL A 50 -0.892 -3.924 -18.885 1.00 43.24 H new ATOM 0 HG22 VAL A 50 -2.160 -3.471 -17.721 1.00 43.24 H new ATOM 0 HG23 VAL A 50 -2.366 -4.912 -18.745 1.00 43.24 H new ATOM 827 N PRO A 51 -4.943 -5.021 -20.633 1.00 73.35 N ATOM 828 CA PRO A 51 -5.463 -6.389 -20.727 1.00 2.13 C ATOM 829 C PRO A 51 -4.437 -7.430 -20.290 1.00 53.51 C ATOM 830 O PRO A 51 -3.243 -7.283 -20.549 1.00 32.23 O ATOM 831 CB PRO A 51 -5.783 -6.546 -22.215 1.00 54.22 C ATOM 832 CG PRO A 51 -4.882 -5.578 -22.901 1.00 21.10 C ATOM 833 CD PRO A 51 -4.728 -4.416 -21.959 1.00 22.53 C ATOM 0 HA PRO A 51 -6.322 -6.544 -20.074 1.00 2.13 H new ATOM 0 HB2 PRO A 51 -5.600 -7.566 -22.554 1.00 54.22 H new ATOM 0 HB3 PRO A 51 -6.831 -6.325 -22.420 1.00 54.22 H new ATOM 0 HG2 PRO A 51 -3.916 -6.033 -23.121 1.00 21.10 H new ATOM 0 HG3 PRO A 51 -5.307 -5.256 -23.852 1.00 21.10 H new ATOM 0 HD2 PRO A 51 -3.740 -3.963 -22.038 1.00 22.53 H new ATOM 0 HD3 PRO A 51 -5.456 -3.632 -22.166 1.00 22.53 H new ATOM 841 N GLU A 52 -4.912 -8.480 -19.628 1.00 2.25 N ATOM 842 CA GLU A 52 -4.034 -9.544 -19.155 1.00 73.32 C ATOM 843 C GLU A 52 -3.896 -10.642 -20.206 1.00 40.13 C ATOM 844 O GLU A 52 -2.883 -11.338 -20.261 1.00 61.02 O ATOM 845 CB GLU A 52 -4.571 -10.137 -17.851 1.00 33.03 C ATOM 846 CG GLU A 52 -3.680 -11.216 -17.260 1.00 64.42 C ATOM 847 CD GLU A 52 -3.916 -11.421 -15.776 1.00 42.14 C ATOM 848 OE1 GLU A 52 -5.089 -11.384 -15.351 1.00 73.42 O ATOM 849 OE2 GLU A 52 -2.926 -11.618 -15.040 1.00 52.14 O ATOM 0 H GLU A 52 -5.898 -8.617 -19.407 1.00 2.25 H new ATOM 0 HA GLU A 52 -3.050 -9.113 -18.972 1.00 73.32 H new ATOM 0 HB2 GLU A 52 -4.691 -9.337 -17.121 1.00 33.03 H new ATOM 0 HB3 GLU A 52 -5.561 -10.555 -18.033 1.00 33.03 H new ATOM 0 HG2 GLU A 52 -3.856 -12.155 -17.785 1.00 64.42 H new ATOM 0 HG3 GLU A 52 -2.636 -10.950 -17.424 1.00 64.42 H new ATOM 856 N GLU A 53 -4.923 -10.790 -21.038 1.00 4.41 N ATOM 857 CA GLU A 53 -4.916 -11.803 -22.086 1.00 61.22 C ATOM 858 C GLU A 53 -4.235 -11.278 -23.347 1.00 11.32 C ATOM 859 O GLU A 53 -4.281 -11.912 -24.401 1.00 54.21 O ATOM 860 CB GLU A 53 -6.345 -12.243 -22.411 1.00 12.43 C ATOM 861 CG GLU A 53 -6.592 -13.725 -22.186 1.00 12.24 C ATOM 862 CD GLU A 53 -6.577 -14.102 -20.717 1.00 64.41 C ATOM 863 OE1 GLU A 53 -7.077 -13.306 -19.895 1.00 73.41 O ATOM 864 OE2 GLU A 53 -6.064 -15.193 -20.390 1.00 2.24 O ATOM 0 H GLU A 53 -5.769 -10.221 -21.006 1.00 4.41 H new ATOM 0 HA GLU A 53 -4.353 -12.662 -21.721 1.00 61.22 H new ATOM 0 HB2 GLU A 53 -7.041 -11.670 -21.798 1.00 12.43 H new ATOM 0 HB3 GLU A 53 -6.563 -12.001 -23.451 1.00 12.43 H new ATOM 0 HG2 GLU A 53 -7.555 -13.999 -22.618 1.00 12.24 H new ATOM 0 HG3 GLU A 53 -5.831 -14.301 -22.713 1.00 12.24 H new ATOM 871 N PHE A 54 -3.604 -10.114 -23.230 1.00 22.21 N ATOM 872 CA PHE A 54 -2.915 -9.502 -24.360 1.00 5.55 C ATOM 873 C PHE A 54 -1.430 -9.322 -24.058 1.00 44.30 C ATOM 874 O PHE A 54 -0.629 -9.060 -24.956 1.00 54.31 O ATOM 875 CB PHE A 54 -3.545 -8.149 -24.697 1.00 14.14 C ATOM 876 CG PHE A 54 -4.447 -8.191 -25.897 1.00 52.40 C ATOM 877 CD1 PHE A 54 -5.275 -9.279 -26.121 1.00 20.14 C ATOM 878 CD2 PHE A 54 -4.468 -7.141 -26.801 1.00 63.25 C ATOM 879 CE1 PHE A 54 -6.105 -9.320 -27.225 1.00 31.21 C ATOM 880 CE2 PHE A 54 -5.296 -7.177 -27.907 1.00 51.54 C ATOM 881 CZ PHE A 54 -6.117 -8.267 -28.119 1.00 24.24 C ATOM 0 H PHE A 54 -3.556 -9.576 -22.365 1.00 22.21 H new ATOM 0 HA PHE A 54 -3.016 -10.166 -25.218 1.00 5.55 H new ATOM 0 HB2 PHE A 54 -4.114 -7.798 -23.836 1.00 14.14 H new ATOM 0 HB3 PHE A 54 -2.752 -7.422 -24.873 1.00 14.14 H new ATOM 0 HD1 PHE A 54 -5.272 -10.105 -25.425 1.00 20.14 H new ATOM 0 HD2 PHE A 54 -3.830 -6.285 -26.639 1.00 63.25 H new ATOM 0 HE1 PHE A 54 -6.744 -10.175 -27.389 1.00 31.21 H new ATOM 0 HE2 PHE A 54 -5.301 -6.353 -28.605 1.00 51.54 H new ATOM 0 HZ PHE A 54 -6.767 -8.296 -28.981 1.00 24.24 H new ATOM 891 N VAL A 55 -1.069 -9.464 -22.787 1.00 5.04 N ATOM 892 CA VAL A 55 0.320 -9.318 -22.365 1.00 74.12 C ATOM 893 C VAL A 55 0.876 -10.637 -21.840 1.00 11.21 C ATOM 894 O VAL A 55 0.129 -11.583 -21.593 1.00 74.31 O ATOM 895 CB VAL A 55 0.465 -8.241 -21.274 1.00 35.35 C ATOM 896 CG1 VAL A 55 0.154 -6.863 -21.838 1.00 64.30 C ATOM 897 CG2 VAL A 55 -0.438 -8.557 -20.091 1.00 33.43 C ATOM 0 H VAL A 55 -1.719 -9.680 -22.031 1.00 5.04 H new ATOM 0 HA VAL A 55 0.888 -9.012 -23.244 1.00 74.12 H new ATOM 0 HB VAL A 55 1.498 -8.240 -20.925 1.00 35.35 H new ATOM 0 HG11 VAL A 55 0.262 -6.115 -21.052 1.00 64.30 H new ATOM 0 HG12 VAL A 55 0.845 -6.638 -22.650 1.00 64.30 H new ATOM 0 HG13 VAL A 55 -0.868 -6.847 -22.216 1.00 64.30 H new ATOM 0 HG21 VAL A 55 -0.323 -7.786 -19.329 1.00 33.43 H new ATOM 0 HG22 VAL A 55 -1.476 -8.587 -20.423 1.00 33.43 H new ATOM 0 HG23 VAL A 55 -0.163 -9.525 -19.672 1.00 33.43 H new ATOM 907 N SER A 56 2.193 -10.692 -21.671 1.00 1.54 N ATOM 908 CA SER A 56 2.851 -11.896 -21.177 1.00 41.24 C ATOM 909 C SER A 56 3.953 -11.544 -20.183 1.00 64.01 C ATOM 910 O SER A 56 4.938 -10.894 -20.535 1.00 21.00 O ATOM 911 CB SER A 56 3.436 -12.696 -22.342 1.00 70.45 C ATOM 912 OG SER A 56 4.121 -13.846 -21.878 1.00 22.52 O ATOM 0 H SER A 56 2.826 -9.917 -21.869 1.00 1.54 H new ATOM 0 HA SER A 56 2.105 -12.504 -20.665 1.00 41.24 H new ATOM 0 HB2 SER A 56 2.636 -12.994 -23.020 1.00 70.45 H new ATOM 0 HB3 SER A 56 4.120 -12.067 -22.912 1.00 70.45 H new ATOM 0 HG SER A 56 4.484 -14.341 -22.642 1.00 22.52 H new ATOM 918 N TYR A 57 3.780 -11.978 -18.940 1.00 22.23 N ATOM 919 CA TYR A 57 4.758 -11.708 -17.893 1.00 1.25 C ATOM 920 C TYR A 57 6.153 -12.152 -18.322 1.00 41.42 C ATOM 921 O TYR A 57 6.333 -13.252 -18.845 1.00 52.34 O ATOM 922 CB TYR A 57 4.360 -12.419 -16.598 1.00 64.53 C ATOM 923 CG TYR A 57 3.516 -11.571 -15.675 1.00 55.55 C ATOM 924 CD1 TYR A 57 2.495 -10.771 -16.175 1.00 72.24 C ATOM 925 CD2 TYR A 57 3.738 -11.567 -14.304 1.00 44.21 C ATOM 926 CE1 TYR A 57 1.721 -9.993 -15.336 1.00 74.33 C ATOM 927 CE2 TYR A 57 2.968 -10.793 -13.457 1.00 63.34 C ATOM 928 CZ TYR A 57 1.961 -10.008 -13.978 1.00 71.12 C ATOM 929 OH TYR A 57 1.192 -9.235 -13.138 1.00 65.12 O ATOM 0 H TYR A 57 2.971 -12.518 -18.633 1.00 22.23 H new ATOM 0 HA TYR A 57 4.777 -10.632 -17.718 1.00 1.25 H new ATOM 0 HB2 TYR A 57 3.811 -13.327 -16.846 1.00 64.53 H new ATOM 0 HB3 TYR A 57 5.263 -12.727 -16.070 1.00 64.53 H new ATOM 0 HD1 TYR A 57 2.304 -10.757 -17.238 1.00 72.24 H new ATOM 0 HD2 TYR A 57 4.526 -12.180 -13.893 1.00 44.21 H new ATOM 0 HE1 TYR A 57 0.932 -9.376 -15.741 1.00 74.33 H new ATOM 0 HE2 TYR A 57 3.154 -10.803 -12.393 1.00 63.34 H new ATOM 0 HH TYR A 57 1.490 -9.361 -12.213 1.00 65.12 H new ATOM 939 N ILE A 58 7.137 -11.288 -18.096 1.00 42.25 N ATOM 940 CA ILE A 58 8.516 -11.590 -18.458 1.00 64.30 C ATOM 941 C ILE A 58 9.331 -11.990 -17.232 1.00 71.45 C ATOM 942 O ILE A 58 9.056 -11.542 -16.120 1.00 3.21 O ATOM 943 CB ILE A 58 9.196 -10.389 -19.142 1.00 34.10 C ATOM 944 CG1 ILE A 58 8.315 -9.853 -20.273 1.00 20.42 C ATOM 945 CG2 ILE A 58 10.565 -10.786 -19.673 1.00 30.35 C ATOM 946 CD1 ILE A 58 8.831 -8.569 -20.883 1.00 55.03 C ATOM 0 H ILE A 58 7.005 -10.374 -17.664 1.00 42.25 H new ATOM 0 HA ILE A 58 8.482 -12.425 -19.158 1.00 64.30 H new ATOM 0 HB ILE A 58 9.330 -9.598 -18.404 1.00 34.10 H new ATOM 0 HG12 ILE A 58 8.237 -10.611 -21.053 1.00 20.42 H new ATOM 0 HG13 ILE A 58 7.308 -9.685 -19.890 1.00 20.42 H new ATOM 0 HG21 ILE A 58 11.032 -9.926 -20.153 1.00 30.35 H new ATOM 0 HG22 ILE A 58 11.191 -11.125 -18.848 1.00 30.35 H new ATOM 0 HG23 ILE A 58 10.454 -11.591 -20.399 1.00 30.35 H new ATOM 0 HD11 ILE A 58 8.158 -8.247 -21.677 1.00 55.03 H new ATOM 0 HD12 ILE A 58 8.882 -7.797 -20.116 1.00 55.03 H new ATOM 0 HD13 ILE A 58 9.826 -8.736 -21.296 1.00 55.03 H new ATOM 958 N GLN A 59 10.334 -12.836 -17.446 1.00 3.53 N ATOM 959 CA GLN A 59 11.190 -13.295 -16.358 1.00 13.01 C ATOM 960 C GLN A 59 12.453 -12.446 -16.263 1.00 40.10 C ATOM 961 O GLN A 59 12.898 -11.840 -17.238 1.00 71.12 O ATOM 962 CB GLN A 59 11.563 -14.765 -16.560 1.00 53.42 C ATOM 963 CG GLN A 59 12.336 -15.025 -17.843 1.00 22.03 C ATOM 964 CD GLN A 59 11.441 -15.463 -18.985 1.00 63.12 C ATOM 965 OE1 GLN A 59 11.404 -14.827 -20.039 1.00 30.01 O ATOM 966 NE2 GLN A 59 10.714 -16.555 -18.782 1.00 71.55 N ATOM 0 H GLN A 59 10.574 -13.217 -18.361 1.00 3.53 H new ATOM 0 HA GLN A 59 10.635 -13.193 -15.425 1.00 13.01 H new ATOM 0 HB2 GLN A 59 12.160 -15.100 -15.712 1.00 53.42 H new ATOM 0 HB3 GLN A 59 10.653 -15.365 -16.566 1.00 53.42 H new ATOM 0 HG2 GLN A 59 12.869 -14.119 -18.131 1.00 22.03 H new ATOM 0 HG3 GLN A 59 13.088 -15.793 -17.660 1.00 22.03 H new ATOM 0 HE21 GLN A 59 10.776 -17.051 -17.893 1.00 71.55 H new ATOM 0 HE22 GLN A 59 10.093 -16.898 -19.515 1.00 71.55 H new ATOM 975 N PRO A 60 13.046 -12.399 -15.061 1.00 0.21 N ATOM 976 CA PRO A 60 14.267 -11.627 -14.810 1.00 53.10 C ATOM 977 C PRO A 60 15.486 -12.232 -15.497 1.00 4.41 C ATOM 978 O PRO A 60 16.254 -11.527 -16.151 1.00 1.31 O ATOM 979 CB PRO A 60 14.422 -11.693 -13.289 1.00 20.34 C ATOM 980 CG PRO A 60 13.714 -12.942 -12.890 1.00 24.12 C ATOM 981 CD PRO A 60 12.571 -13.096 -13.854 1.00 72.10 C ATOM 0 HA PRO A 60 14.195 -10.612 -15.201 1.00 53.10 H new ATOM 0 HB2 PRO A 60 15.472 -11.723 -12.999 1.00 20.34 H new ATOM 0 HB3 PRO A 60 13.984 -10.819 -12.808 1.00 20.34 H new ATOM 0 HG2 PRO A 60 14.383 -13.802 -12.937 1.00 24.12 H new ATOM 0 HG3 PRO A 60 13.353 -12.875 -11.864 1.00 24.12 H new ATOM 0 HD2 PRO A 60 12.354 -14.145 -14.055 1.00 72.10 H new ATOM 0 HD3 PRO A 60 11.655 -12.649 -13.466 1.00 72.10 H new ATOM 989 N GLU A 61 15.658 -13.541 -15.344 1.00 33.01 N ATOM 990 CA GLU A 61 16.785 -14.239 -15.950 1.00 62.21 C ATOM 991 C GLU A 61 16.521 -15.740 -16.022 1.00 34.41 C ATOM 992 O GLU A 61 17.420 -16.552 -15.800 1.00 61.34 O ATOM 993 CB GLU A 61 18.065 -13.973 -15.155 1.00 63.42 C ATOM 994 CG GLU A 61 19.336 -14.156 -15.969 1.00 13.34 C ATOM 995 CD GLU A 61 19.890 -12.843 -16.487 1.00 1.12 C ATOM 996 OE1 GLU A 61 19.084 -11.968 -16.867 1.00 11.02 O ATOM 997 OE2 GLU A 61 21.129 -12.690 -16.513 1.00 21.34 O ATOM 0 H GLU A 61 15.031 -14.139 -14.806 1.00 33.01 H new ATOM 0 HA GLU A 61 16.910 -13.861 -16.965 1.00 62.21 H new ATOM 0 HB2 GLU A 61 18.036 -12.955 -14.766 1.00 63.42 H new ATOM 0 HB3 GLU A 61 18.095 -14.642 -14.295 1.00 63.42 H new ATOM 0 HG2 GLU A 61 20.090 -14.647 -15.353 1.00 13.34 H new ATOM 0 HG3 GLU A 61 19.132 -14.818 -16.811 1.00 13.34 H new ATOM 1004 N LEU A 62 15.281 -16.102 -16.332 1.00 73.24 N ATOM 1005 CA LEU A 62 14.896 -17.506 -16.433 1.00 52.34 C ATOM 1006 C LEU A 62 14.789 -17.937 -17.892 1.00 72.44 C ATOM 1007 O LEU A 62 15.125 -17.178 -18.800 1.00 44.01 O ATOM 1008 CB LEU A 62 13.563 -17.742 -15.721 1.00 1.04 C ATOM 1009 CG LEU A 62 13.429 -17.126 -14.327 1.00 74.25 C ATOM 1010 CD1 LEU A 62 11.989 -17.210 -13.843 1.00 64.44 C ATOM 1011 CD2 LEU A 62 14.364 -17.817 -13.346 1.00 65.14 C ATOM 0 H LEU A 62 14.525 -15.443 -16.518 1.00 73.24 H new ATOM 0 HA LEU A 62 15.669 -18.105 -15.952 1.00 52.34 H new ATOM 0 HB2 LEU A 62 12.764 -17.348 -16.349 1.00 1.04 H new ATOM 0 HB3 LEU A 62 13.403 -18.817 -15.638 1.00 1.04 H new ATOM 0 HG LEU A 62 13.710 -16.075 -14.387 1.00 74.25 H new ATOM 0 HD11 LEU A 62 11.913 -16.767 -12.850 1.00 64.44 H new ATOM 0 HD12 LEU A 62 11.341 -16.669 -14.533 1.00 64.44 H new ATOM 0 HD13 LEU A 62 11.680 -18.254 -13.799 1.00 64.44 H new ATOM 0 HD21 LEU A 62 14.255 -17.366 -12.360 1.00 65.14 H new ATOM 0 HD22 LEU A 62 14.114 -18.876 -13.290 1.00 65.14 H new ATOM 0 HD23 LEU A 62 15.394 -17.705 -13.684 1.00 65.14 H new ATOM 1023 N GLU A 63 14.316 -19.161 -18.109 1.00 51.21 N ATOM 1024 CA GLU A 63 14.163 -19.692 -19.458 1.00 63.14 C ATOM 1025 C GLU A 63 12.758 -20.249 -19.668 1.00 63.51 C ATOM 1026 O GLU A 63 12.178 -20.038 -20.732 1.00 3.20 O ATOM 1027 CB GLU A 63 15.202 -20.785 -19.721 1.00 13.04 C ATOM 1028 CG GLU A 63 15.675 -20.841 -21.163 1.00 64.02 C ATOM 1029 CD GLU A 63 16.283 -22.182 -21.526 1.00 74.32 C ATOM 1030 OE1 GLU A 63 17.462 -22.410 -21.186 1.00 25.33 O ATOM 1031 OE2 GLU A 63 15.579 -23.003 -22.150 1.00 71.44 O ATOM 0 H GLU A 63 14.033 -19.802 -17.368 1.00 51.21 H new ATOM 0 HA GLU A 63 14.320 -18.875 -20.162 1.00 63.14 H new ATOM 0 HB2 GLU A 63 16.062 -20.621 -19.072 1.00 13.04 H new ATOM 0 HB3 GLU A 63 14.777 -21.751 -19.449 1.00 13.04 H new ATOM 0 HG2 GLU A 63 14.834 -20.636 -21.825 1.00 64.02 H new ATOM 0 HG3 GLU A 63 16.411 -20.055 -21.331 1.00 64.02 H new TER 1038 GLU A 63 ATOM 1039 N GLY B -9 -5.584 2.091 -7.138 1.00 52.12 N ATOM 1040 CA GLY B -9 -5.265 3.497 -7.301 1.00 40.42 C ATOM 1041 C GLY B -9 -6.494 4.343 -7.571 1.00 5.44 C ATOM 1042 O GLY B -9 -7.394 4.427 -6.736 1.00 15.43 O ATOM 0 H1 GLY B -9 -4.711 1.556 -6.956 1.00 52.12 H new ATOM 0 H2 GLY B -9 -6.236 1.974 -6.336 1.00 52.12 H new ATOM 0 H3 GLY B -9 -6.034 1.734 -8.005 1.00 52.12 H new ATOM 0 HA2 GLY B -9 -4.768 3.860 -6.401 1.00 40.42 H new ATOM 0 HA3 GLY B -9 -4.560 3.613 -8.124 1.00 40.42 H new ATOM 1046 N LYS B -8 -6.531 4.974 -8.739 1.00 42.15 N ATOM 1047 CA LYS B -8 -7.657 5.819 -9.118 1.00 34.11 C ATOM 1048 C LYS B -8 -8.398 5.233 -10.316 1.00 14.34 C ATOM 1049 O LYS B -8 -9.570 5.538 -10.543 1.00 64.41 O ATOM 1050 CB LYS B -8 -7.173 7.233 -9.446 1.00 13.10 C ATOM 1051 CG LYS B -8 -5.939 7.264 -10.330 1.00 65.40 C ATOM 1052 CD LYS B -8 -4.663 7.309 -9.505 1.00 52.02 C ATOM 1053 CE LYS B -8 -3.537 8.001 -10.258 1.00 20.30 C ATOM 1054 NZ LYS B -8 -2.926 7.110 -11.283 1.00 22.11 N ATOM 0 H LYS B -8 -5.793 4.916 -9.441 1.00 42.15 H new ATOM 0 HA LYS B -8 -8.345 5.864 -8.274 1.00 34.11 H new ATOM 0 HB2 LYS B -8 -7.977 7.778 -9.940 1.00 13.10 H new ATOM 0 HB3 LYS B -8 -6.957 7.759 -8.516 1.00 13.10 H new ATOM 0 HG2 LYS B -8 -5.928 6.383 -10.972 1.00 65.40 H new ATOM 0 HG3 LYS B -8 -5.981 8.134 -10.985 1.00 65.40 H new ATOM 0 HD2 LYS B -8 -4.852 7.834 -8.569 1.00 52.02 H new ATOM 0 HD3 LYS B -8 -4.360 6.295 -9.246 1.00 52.02 H new ATOM 0 HE2 LYS B -8 -3.921 8.900 -10.741 1.00 20.30 H new ATOM 0 HE3 LYS B -8 -2.771 8.321 -9.552 1.00 20.30 H new ATOM 0 HZ1 LYS B -8 -2.523 7.687 -12.049 1.00 22.11 H new ATOM 0 HZ2 LYS B -8 -2.173 6.542 -10.845 1.00 22.11 H new ATOM 0 HZ3 LYS B -8 -3.655 6.478 -11.673 1.00 22.11 H new ATOM 1068 N PHE B -7 -7.709 4.391 -11.078 1.00 32.31 N ATOM 1069 CA PHE B -7 -8.303 3.762 -12.252 1.00 64.22 C ATOM 1070 C PHE B -7 -9.554 2.975 -11.874 1.00 12.31 C ATOM 1071 O PHE B -7 -9.827 2.753 -10.694 1.00 32.10 O ATOM 1072 CB PHE B -7 -7.289 2.836 -12.928 1.00 33.42 C ATOM 1073 CG PHE B -7 -5.943 3.469 -13.134 1.00 21.41 C ATOM 1074 CD1 PHE B -7 -5.821 4.657 -13.836 1.00 74.33 C ATOM 1075 CD2 PHE B -7 -4.799 2.875 -12.626 1.00 4.24 C ATOM 1076 CE1 PHE B -7 -4.584 5.242 -14.027 1.00 40.14 C ATOM 1077 CE2 PHE B -7 -3.559 3.456 -12.813 1.00 43.12 C ATOM 1078 CZ PHE B -7 -3.451 4.640 -13.516 1.00 50.30 C ATOM 0 H PHE B -7 -6.739 4.128 -10.904 1.00 32.31 H new ATOM 0 HA PHE B -7 -8.588 4.549 -12.950 1.00 64.22 H new ATOM 0 HB2 PHE B -7 -7.170 1.937 -12.323 1.00 33.42 H new ATOM 0 HB3 PHE B -7 -7.685 2.520 -13.893 1.00 33.42 H new ATOM 0 HD1 PHE B -7 -6.704 5.132 -14.239 1.00 74.33 H new ATOM 0 HD2 PHE B -7 -4.877 1.948 -12.078 1.00 4.24 H new ATOM 0 HE1 PHE B -7 -4.503 6.169 -14.575 1.00 40.14 H new ATOM 0 HE2 PHE B -7 -2.675 2.985 -12.410 1.00 43.12 H new ATOM 0 HZ PHE B -7 -2.483 5.094 -13.666 1.00 50.30 H new ATOM 1088 N ILE B -6 -10.311 2.558 -12.883 1.00 41.02 N ATOM 1089 CA ILE B -6 -11.533 1.796 -12.657 1.00 41.32 C ATOM 1090 C ILE B -6 -12.126 1.306 -13.973 1.00 72.54 C ATOM 1091 O ILE B -6 -12.941 1.978 -14.605 1.00 12.52 O ATOM 1092 CB ILE B -6 -12.589 2.634 -11.912 1.00 23.02 C ATOM 1093 CG1 ILE B -6 -13.924 1.889 -11.868 1.00 34.00 C ATOM 1094 CG2 ILE B -6 -12.755 3.991 -12.578 1.00 43.53 C ATOM 1095 CD1 ILE B -6 -14.805 2.295 -10.707 1.00 40.10 C ATOM 0 H ILE B -6 -10.100 2.735 -13.865 1.00 41.02 H new ATOM 0 HA ILE B -6 -11.261 0.938 -12.042 1.00 41.32 H new ATOM 0 HB ILE B -6 -12.249 2.793 -10.889 1.00 23.02 H new ATOM 0 HG12 ILE B -6 -14.461 2.066 -12.800 1.00 34.00 H new ATOM 0 HG13 ILE B -6 -13.731 0.818 -11.810 1.00 34.00 H new ATOM 0 HG21 ILE B -6 -13.505 4.571 -12.040 1.00 43.53 H new ATOM 0 HG22 ILE B -6 -11.804 4.523 -12.562 1.00 43.53 H new ATOM 0 HG23 ILE B -6 -13.076 3.853 -13.611 1.00 43.53 H new ATOM 0 HD11 ILE B -6 -15.734 1.726 -10.739 1.00 40.10 H new ATOM 0 HD12 ILE B -6 -14.288 2.092 -9.769 1.00 40.10 H new ATOM 0 HD13 ILE B -6 -15.028 3.360 -10.775 1.00 40.10 H new ATOM 1107 N PRO B -5 -11.710 0.103 -14.398 1.00 14.10 N ATOM 1108 CA PRO B -5 -12.190 -0.506 -15.642 1.00 63.40 C ATOM 1109 C PRO B -5 -13.651 -0.934 -15.553 1.00 25.44 C ATOM 1110 O PRO B -5 -14.070 -1.543 -14.568 1.00 63.23 O ATOM 1111 CB PRO B -5 -11.284 -1.729 -15.810 1.00 43.22 C ATOM 1112 CG PRO B -5 -10.839 -2.064 -14.428 1.00 55.03 C ATOM 1113 CD PRO B -5 -10.741 -0.754 -13.696 1.00 24.30 C ATOM 0 HA PRO B -5 -12.149 0.191 -16.479 1.00 63.40 H new ATOM 0 HB2 PRO B -5 -11.822 -2.561 -16.265 1.00 43.22 H new ATOM 0 HB3 PRO B -5 -10.435 -1.507 -16.456 1.00 43.22 H new ATOM 0 HG2 PRO B -5 -11.549 -2.731 -13.940 1.00 55.03 H new ATOM 0 HG3 PRO B -5 -9.877 -2.577 -14.441 1.00 55.03 H new ATOM 0 HD2 PRO B -5 -10.992 -0.864 -12.641 1.00 24.30 H new ATOM 0 HD3 PRO B -5 -9.733 -0.342 -13.743 1.00 24.30 H new ATOM 1121 N SER B -4 -14.421 -0.612 -16.587 1.00 31.43 N ATOM 1122 CA SER B -4 -15.837 -0.961 -16.623 1.00 4.11 C ATOM 1123 C SER B -4 -16.217 -1.547 -17.979 1.00 53.33 C ATOM 1124 O SER B -4 -16.983 -0.947 -18.734 1.00 0.21 O ATOM 1125 CB SER B -4 -16.695 0.271 -16.328 1.00 25.13 C ATOM 1126 OG SER B -4 -18.074 -0.024 -16.465 1.00 1.43 O ATOM 0 H SER B -4 -14.089 -0.110 -17.411 1.00 31.43 H new ATOM 0 HA SER B -4 -16.020 -1.714 -15.857 1.00 4.11 H new ATOM 0 HB2 SER B -4 -16.494 0.624 -15.317 1.00 25.13 H new ATOM 0 HB3 SER B -4 -16.423 1.079 -17.008 1.00 25.13 H new ATOM 0 HG SER B -4 -18.262 -0.288 -17.390 1.00 1.43 H new ATOM 1132 N ARG B -3 -15.677 -2.722 -18.282 1.00 23.53 N ATOM 1133 CA ARG B -3 -15.958 -3.390 -19.547 1.00 42.20 C ATOM 1134 C ARG B -3 -15.210 -4.717 -19.640 1.00 13.14 C ATOM 1135 O ARG B -3 -14.179 -4.923 -18.999 1.00 14.13 O ATOM 1136 CB ARG B -3 -15.568 -2.489 -20.721 1.00 25.54 C ATOM 1137 CG ARG B -3 -14.190 -1.863 -20.576 1.00 14.22 C ATOM 1138 CD ARG B -3 -13.400 -1.948 -21.872 1.00 55.14 C ATOM 1139 NE ARG B -3 -14.209 -1.580 -23.031 1.00 75.13 N ATOM 1140 CZ ARG B -3 -13.899 -1.912 -24.280 1.00 2.34 C ATOM 1141 NH1 ARG B -3 -12.803 -2.615 -24.529 1.00 21.00 N ATOM 1142 NH2 ARG B -3 -14.685 -1.540 -25.281 1.00 55.04 N ATOM 0 H ARG B -3 -15.042 -3.232 -17.668 1.00 23.53 H new ATOM 0 HA ARG B -3 -17.028 -3.592 -19.592 1.00 42.20 H new ATOM 0 HB2 ARG B -3 -15.598 -3.072 -21.641 1.00 25.54 H new ATOM 0 HB3 ARG B -3 -16.309 -1.696 -20.822 1.00 25.54 H new ATOM 0 HG2 ARG B -3 -14.293 -0.819 -20.279 1.00 14.22 H new ATOM 0 HG3 ARG B -3 -13.642 -2.368 -19.781 1.00 14.22 H new ATOM 0 HD2 ARG B -3 -12.533 -1.290 -21.812 1.00 55.14 H new ATOM 0 HD3 ARG B -3 -13.023 -2.962 -22.001 1.00 55.14 H new ATOM 0 HE ARG B -3 -15.059 -1.038 -22.873 1.00 75.13 H new ATOM 0 HH11 ARG B -3 -12.196 -2.902 -23.761 1.00 21.00 H new ATOM 0 HH12 ARG B -3 -12.567 -2.869 -25.488 1.00 21.00 H new ATOM 0 HH21 ARG B -3 -15.529 -0.998 -25.093 1.00 55.04 H new ATOM 0 HH22 ARG B -3 -14.446 -1.795 -26.239 1.00 55.04 H new ATOM 1156 N PRO B -2 -15.741 -5.640 -20.456 1.00 11.44 N ATOM 1157 CA PRO B -2 -15.141 -6.962 -20.651 1.00 64.55 C ATOM 1158 C PRO B -2 -13.827 -6.894 -21.423 1.00 22.45 C ATOM 1159 O PRO B -2 -13.778 -6.381 -22.540 1.00 1.23 O ATOM 1160 CB PRO B -2 -16.198 -7.716 -21.462 1.00 52.54 C ATOM 1161 CG PRO B -2 -16.961 -6.650 -22.172 1.00 64.51 C ATOM 1162 CD PRO B -2 -16.968 -5.462 -21.250 1.00 61.35 C ATOM 0 HA PRO B -2 -14.890 -7.439 -19.704 1.00 64.55 H new ATOM 0 HB2 PRO B -2 -15.737 -8.409 -22.166 1.00 52.54 H new ATOM 0 HB3 PRO B -2 -16.848 -8.304 -20.815 1.00 52.54 H new ATOM 0 HG2 PRO B -2 -16.492 -6.402 -23.124 1.00 64.51 H new ATOM 0 HG3 PRO B -2 -17.977 -6.978 -22.393 1.00 64.51 H new ATOM 0 HD2 PRO B -2 -16.956 -4.523 -21.804 1.00 61.35 H new ATOM 0 HD3 PRO B -2 -17.857 -5.448 -20.619 1.00 61.35 H new ATOM 1170 N ALA B -1 -12.764 -7.416 -20.819 1.00 30.12 N ATOM 1171 CA ALA B -1 -11.450 -7.417 -21.450 1.00 53.53 C ATOM 1172 C ALA B -1 -11.520 -7.986 -22.863 1.00 34.51 C ATOM 1173 O ALA B -1 -12.383 -8.803 -23.187 1.00 13.32 O ATOM 1174 CB ALA B -1 -10.460 -8.208 -20.608 1.00 53.24 C ATOM 0 H ALA B -1 -12.788 -7.844 -19.893 1.00 30.12 H new ATOM 0 HA ALA B -1 -11.107 -6.385 -21.519 1.00 53.53 H new ATOM 0 HB1 ALA B -1 -9.483 -8.200 -21.092 1.00 53.24 H new ATOM 0 HB2 ALA B -1 -10.379 -7.755 -19.620 1.00 53.24 H new ATOM 0 HB3 ALA B -1 -10.807 -9.236 -20.508 1.00 53.24 H new ATOM 1180 N PRO B 0 -10.592 -7.547 -23.726 1.00 30.42 N ATOM 1181 CA PRO B 0 -10.528 -8.001 -25.118 1.00 50.03 C ATOM 1182 C PRO B 0 -10.088 -9.456 -25.234 1.00 73.52 C ATOM 1183 O PRO B 0 -9.575 -10.039 -24.279 1.00 2.13 O ATOM 1184 CB PRO B 0 -9.483 -7.075 -25.745 1.00 63.12 C ATOM 1185 CG PRO B 0 -8.626 -6.645 -24.605 1.00 44.52 C ATOM 1186 CD PRO B 0 -9.533 -6.575 -23.408 1.00 51.32 C ATOM 0 HA PRO B 0 -11.502 -7.959 -25.605 1.00 50.03 H new ATOM 0 HB2 PRO B 0 -8.899 -7.594 -26.505 1.00 63.12 H new ATOM 0 HB3 PRO B 0 -9.953 -6.220 -26.232 1.00 63.12 H new ATOM 0 HG2 PRO B 0 -7.814 -7.353 -24.438 1.00 44.52 H new ATOM 0 HG3 PRO B 0 -8.168 -5.676 -24.805 1.00 44.52 H new ATOM 0 HD2 PRO B 0 -9.008 -6.839 -22.490 1.00 51.32 H new ATOM 0 HD3 PRO B 0 -9.937 -5.572 -23.268 1.00 51.32 H new ATOM 1194 N LYS B 1 -10.293 -10.039 -26.411 1.00 25.54 N ATOM 1195 CA LYS B 1 -9.916 -11.427 -26.653 1.00 62.00 C ATOM 1196 C LYS B 1 -8.830 -11.517 -27.721 1.00 31.43 C ATOM 1197 O LYS B 1 -8.888 -10.855 -28.757 1.00 11.12 O ATOM 1198 CB LYS B 1 -11.138 -12.241 -27.083 1.00 71.13 C ATOM 1199 CG LYS B 1 -10.834 -13.708 -27.337 1.00 2.54 C ATOM 1200 CD LYS B 1 -11.066 -14.548 -26.092 1.00 75.35 C ATOM 1201 CE LYS B 1 -12.523 -14.969 -25.969 1.00 23.43 C ATOM 1202 NZ LYS B 1 -12.833 -15.502 -24.613 1.00 62.21 N ATOM 0 H LYS B 1 -10.718 -9.572 -27.212 1.00 25.54 H new ATOM 0 HA LYS B 1 -9.522 -11.838 -25.724 1.00 62.00 H new ATOM 0 HB2 LYS B 1 -11.904 -12.166 -26.311 1.00 71.13 H new ATOM 0 HB3 LYS B 1 -11.555 -11.803 -27.990 1.00 71.13 H new ATOM 0 HG2 LYS B 1 -11.463 -14.076 -28.148 1.00 2.54 H new ATOM 0 HG3 LYS B 1 -9.799 -13.815 -27.662 1.00 2.54 H new ATOM 0 HD2 LYS B 1 -10.432 -15.434 -26.126 1.00 75.35 H new ATOM 0 HD3 LYS B 1 -10.774 -13.980 -25.209 1.00 75.35 H new ATOM 0 HE2 LYS B 1 -13.167 -14.115 -26.180 1.00 23.43 H new ATOM 0 HE3 LYS B 1 -12.746 -15.729 -26.718 1.00 23.43 H new ATOM 0 HZ1 LYS B 1 -13.835 -15.778 -24.569 1.00 62.21 H new ATOM 0 HZ2 LYS B 1 -12.237 -16.332 -24.422 1.00 62.21 H new ATOM 0 HZ3 LYS B 1 -12.644 -14.769 -23.900 1.00 62.21 H new ATOM 1216 N PRO B 2 -7.816 -12.357 -27.465 1.00 72.52 N ATOM 1217 CA PRO B 2 -6.699 -12.556 -28.394 1.00 13.32 C ATOM 1218 C PRO B 2 -7.122 -13.294 -29.659 1.00 64.42 C ATOM 1219 O PRO B 2 -8.147 -13.975 -29.697 1.00 22.14 O ATOM 1220 CB PRO B 2 -5.712 -13.401 -27.585 1.00 62.05 C ATOM 1221 CG PRO B 2 -6.554 -14.115 -26.586 1.00 33.14 C ATOM 1222 CD PRO B 2 -7.682 -13.179 -26.250 1.00 52.14 C ATOM 0 HA PRO B 2 -6.285 -11.610 -28.743 1.00 13.32 H new ATOM 0 HB2 PRO B 2 -5.175 -14.102 -28.224 1.00 62.05 H new ATOM 0 HB3 PRO B 2 -4.963 -12.777 -27.098 1.00 62.05 H new ATOM 0 HG2 PRO B 2 -6.933 -15.052 -26.994 1.00 33.14 H new ATOM 0 HG3 PRO B 2 -5.976 -14.365 -25.696 1.00 33.14 H new ATOM 0 HD2 PRO B 2 -8.601 -13.721 -26.028 1.00 52.14 H new ATOM 0 HD3 PRO B 2 -7.452 -12.570 -25.376 1.00 52.14 H new ATOM 1230 N PRO B 3 -6.314 -13.159 -30.722 1.00 31.24 N ATOM 1231 CA PRO B 3 -6.584 -13.808 -32.008 1.00 43.23 C ATOM 1232 C PRO B 3 -6.407 -15.321 -31.943 1.00 42.12 C ATOM 1233 O PRO B 3 -6.220 -15.888 -30.867 1.00 3.34 O ATOM 1234 CB PRO B 3 -5.542 -13.187 -32.943 1.00 74.42 C ATOM 1235 CG PRO B 3 -4.431 -12.766 -32.046 1.00 25.34 C ATOM 1236 CD PRO B 3 -5.076 -12.363 -30.748 1.00 65.34 C ATOM 0 HA PRO B 3 -7.613 -13.657 -32.333 1.00 43.23 H new ATOM 0 HB2 PRO B 3 -5.199 -13.906 -33.687 1.00 74.42 H new ATOM 0 HB3 PRO B 3 -5.955 -12.338 -33.487 1.00 74.42 H new ATOM 0 HG2 PRO B 3 -3.723 -13.580 -31.893 1.00 25.34 H new ATOM 0 HG3 PRO B 3 -3.873 -11.936 -32.479 1.00 25.34 H new ATOM 0 HD2 PRO B 3 -4.436 -12.587 -29.895 1.00 65.34 H new ATOM 0 HD3 PRO B 3 -5.285 -11.294 -30.718 1.00 65.34 H new ATOM 1244 N SER B 4 -6.467 -15.970 -33.102 1.00 3.42 N ATOM 1245 CA SER B 4 -6.316 -17.418 -33.175 1.00 73.15 C ATOM 1246 C SER B 4 -4.891 -17.797 -33.565 1.00 62.23 C ATOM 1247 O SER B 4 -4.390 -17.381 -34.610 1.00 5.14 O ATOM 1248 CB SER B 4 -7.306 -18.004 -34.184 1.00 61.24 C ATOM 1249 OG SER B 4 -8.639 -17.887 -33.718 1.00 40.03 O ATOM 0 H SER B 4 -6.619 -15.516 -34.002 1.00 3.42 H new ATOM 0 HA SER B 4 -6.526 -17.831 -32.188 1.00 73.15 H new ATOM 0 HB2 SER B 4 -7.205 -17.488 -35.139 1.00 61.24 H new ATOM 0 HB3 SER B 4 -7.070 -19.053 -34.362 1.00 61.24 H new ATOM 0 HG SER B 4 -9.252 -18.267 -34.381 1.00 40.03 H new ATOM 1255 N SER B 5 -4.243 -18.590 -32.717 1.00 72.05 N ATOM 1256 CA SER B 5 -2.874 -19.023 -32.970 1.00 21.10 C ATOM 1257 C SER B 5 -2.638 -20.427 -32.422 1.00 74.30 C ATOM 1258 O SER B 5 -2.951 -20.715 -31.267 1.00 73.33 O ATOM 1259 CB SER B 5 -1.882 -18.044 -32.339 1.00 13.05 C ATOM 1260 OG SER B 5 -0.548 -18.383 -32.673 1.00 43.24 O ATOM 0 H SER B 5 -4.644 -18.945 -31.849 1.00 72.05 H new ATOM 0 HA SER B 5 -2.719 -19.042 -34.049 1.00 21.10 H new ATOM 0 HB2 SER B 5 -2.099 -17.032 -32.679 1.00 13.05 H new ATOM 0 HB3 SER B 5 -2.001 -18.049 -31.256 1.00 13.05 H new ATOM 0 HG SER B 5 0.066 -17.741 -32.259 1.00 43.24 H new ATOM 1266 N ALA B 6 -2.084 -21.297 -33.260 1.00 74.40 N ATOM 1267 CA ALA B 6 -1.805 -22.671 -32.860 1.00 44.04 C ATOM 1268 C ALA B 6 -0.987 -23.396 -33.924 1.00 22.35 C ATOM 1269 O ALA B 6 -1.277 -23.300 -35.117 1.00 11.14 O ATOM 1270 CB ALA B 6 -3.103 -23.417 -32.590 1.00 40.04 C ATOM 0 H ALA B 6 -1.820 -21.075 -34.220 1.00 74.40 H new ATOM 0 HA ALA B 6 -1.218 -22.644 -31.942 1.00 44.04 H new ATOM 0 HB1 ALA B 6 -2.879 -24.441 -32.292 1.00 40.04 H new ATOM 0 HB2 ALA B 6 -3.650 -22.918 -31.790 1.00 40.04 H new ATOM 0 HB3 ALA B 6 -3.712 -23.427 -33.494 1.00 40.04 H new TER 1276 ALA B 6