USER MOD reduce.3.24.130724 H: found=0, std=0, add=511, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 511 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 48 HIS : no HD1:sc= -0.604 K(o=-0.69,f=-9.7!) USER MOD Set 1.2: A 52 THR OG1 : rot -170:sc= -0.0902 USER MOD Set 2.1: A 4 THR OG1 : rot -90:sc= 1.21 USER MOD Set 2.2: A 6 ASN : amide:sc= 1.25 K(o=2.5,f=0.53) USER MOD Single : A 3 GLN : amide:sc= 0.651 K(o=0.65,f=-0.16) USER MOD Single : A 8 GLN : amide:sc= 1.76 K(o=1.8,f=-4.2!) USER MOD Single : A 12 MET CE :methyl 176:sc= -0.0492 (180deg=-0.0827) USER MOD Single : A 14 CYS SG : rot 180:sc= -0.286 USER MOD Single : A 17 CYS SG : rot 180:sc= 0.0654 USER MOD Single : A 19 SER OG : rot -74:sc= 1.3 USER MOD Single : A 20 SER OG : rot 79:sc= 1.27 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= -1.84 K(o=-1.8,f=-0.21) USER MOD Single : A 33 SER OG : rot 19:sc= 1.25 USER MOD Single : A 34 CYS SG : rot 180:sc= -0.256 USER MOD Single : A 35 GLN : amide:sc=-0.00837 K(o=-0.0084,f=-0.82) USER MOD Single : A 37 ASN : amide:sc= 0.426 K(o=0.43,f=-3.9!) USER MOD Single : A 42 GLN : amide:sc= -0.512 K(o=-0.51,f=0) USER MOD Single : A 46 SER OG : rot 91:sc= 1.21 USER MOD Single : A 47 TYR OH : rot 30:sc= -0.314 USER MOD Single : A 51 THR OG1 : rot 28:sc= 1.17 USER MOD Single : A 54 GLN : amide:sc= 0.71 K(o=0.71,f=-2.4!) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot -145:sc= 1.19 USER MOD Single : A 66 HIS : no HD1:sc= 0.27 K(o=0.27,f=-4!) USER MOD ----------------------------------------------------------------- ATOM 30 N GLN A 3 -6.838 -8.969 -8.535 1.00 2.80 N ATOM 31 CA GLN A 3 -6.080 -7.838 -9.086 1.00 2.06 C ATOM 32 C GLN A 3 -5.027 -7.380 -8.066 1.00 1.69 C ATOM 33 O GLN A 3 -5.297 -7.361 -6.862 1.00 1.63 O ATOM 34 CB GLN A 3 -7.046 -6.719 -9.525 1.00 2.46 C ATOM 35 CG GLN A 3 -6.336 -5.479 -10.090 1.00 3.30 C ATOM 36 CD GLN A 3 -5.463 -5.816 -11.295 1.00 4.43 C ATOM 37 OE1 GLN A 3 -5.845 -6.558 -12.179 1.00 4.62 O ATOM 38 NE2 GLN A 3 -4.229 -5.369 -11.351 1.00 5.79 N ATOM 0 HA GLN A 3 -5.537 -8.139 -9.982 1.00 2.06 H new ATOM 0 HB2 GLN A 3 -7.726 -7.113 -10.280 1.00 2.46 H new ATOM 0 HB3 GLN A 3 -7.655 -6.421 -8.672 1.00 2.46 H new ATOM 0 HG2 GLN A 3 -7.080 -4.736 -10.378 1.00 3.30 H new ATOM 0 HG3 GLN A 3 -5.720 -5.028 -9.312 1.00 3.30 H new ATOM 0 HE21 GLN A 3 -3.879 -4.745 -10.624 1.00 5.79 H new ATOM 0 HE22 GLN A 3 -3.621 -5.646 -12.121 1.00 5.79 H new ATOM 47 N THR A 4 -3.823 -7.029 -8.543 1.00 1.79 N ATOM 48 CA THR A 4 -2.688 -6.532 -7.747 1.00 1.52 C ATOM 49 C THR A 4 -2.394 -5.072 -8.062 1.00 1.87 C ATOM 50 O THR A 4 -2.677 -4.570 -9.148 1.00 2.61 O ATOM 51 CB THR A 4 -1.458 -7.469 -7.855 1.00 1.51 C ATOM 52 OG1 THR A 4 -0.317 -6.842 -7.333 1.00 1.48 O ATOM 53 CG2 THR A 4 -1.144 -7.895 -9.291 1.00 2.16 C ATOM 0 H THR A 4 -3.603 -7.086 -9.537 1.00 1.79 H new ATOM 0 HA THR A 4 -2.966 -6.554 -6.693 1.00 1.52 H new ATOM 0 HB THR A 4 -1.717 -8.360 -7.283 1.00 1.51 H new ATOM 0 HG1 THR A 4 0.144 -6.355 -8.047 1.00 1.48 H new ATOM 0 HG21 THR A 4 -0.272 -8.549 -9.294 1.00 2.16 H new ATOM 0 HG22 THR A 4 -1.999 -8.428 -9.708 1.00 2.16 H new ATOM 0 HG23 THR A 4 -0.937 -7.012 -9.895 1.00 2.16 H new ATOM 61 N ILE A 5 -1.848 -4.392 -7.061 1.00 1.47 N ATOM 62 CA ILE A 5 -1.352 -3.022 -7.084 1.00 1.86 C ATOM 63 C ILE A 5 0.126 -3.125 -6.701 1.00 1.53 C ATOM 64 O ILE A 5 0.462 -3.700 -5.659 1.00 1.12 O ATOM 65 CB ILE A 5 -2.152 -2.145 -6.092 1.00 2.23 C ATOM 66 CG1 ILE A 5 -3.685 -2.255 -6.266 1.00 2.66 C ATOM 67 CG2 ILE A 5 -1.703 -0.675 -6.170 1.00 2.70 C ATOM 68 CD1 ILE A 5 -4.252 -1.758 -7.604 1.00 2.48 C ATOM 0 H ILE A 5 -1.732 -4.817 -6.141 1.00 1.47 H new ATOM 0 HA ILE A 5 -1.468 -2.549 -8.059 1.00 1.86 H new ATOM 0 HB ILE A 5 -1.927 -2.536 -5.100 1.00 2.23 H new ATOM 0 HG12 ILE A 5 -3.970 -3.299 -6.140 1.00 2.66 H new ATOM 0 HG13 ILE A 5 -4.162 -1.695 -5.462 1.00 2.66 H new ATOM 0 HG21 ILE A 5 -2.281 -0.080 -5.463 1.00 2.70 H new ATOM 0 HG22 ILE A 5 -0.644 -0.605 -5.923 1.00 2.70 H new ATOM 0 HG23 ILE A 5 -1.866 -0.298 -7.180 1.00 2.70 H new ATOM 0 HD11 ILE A 5 -5.335 -1.885 -7.610 1.00 2.48 H new ATOM 0 HD12 ILE A 5 -4.010 -0.703 -7.732 1.00 2.48 H new ATOM 0 HD13 ILE A 5 -3.815 -2.333 -8.420 1.00 2.48 H new ATOM 80 N ASN A 6 0.993 -2.646 -7.592 1.00 1.71 N ATOM 81 CA ASN A 6 2.431 -2.917 -7.573 1.00 1.22 C ATOM 82 C ASN A 6 3.205 -1.750 -8.213 1.00 0.80 C ATOM 83 O ASN A 6 3.083 -1.496 -9.415 1.00 0.93 O ATOM 84 CB ASN A 6 2.716 -4.278 -8.241 1.00 1.81 C ATOM 85 CG ASN A 6 1.797 -4.628 -9.413 1.00 2.77 C ATOM 86 OD1 ASN A 6 0.975 -5.529 -9.330 1.00 4.45 O ATOM 87 ND2 ASN A 6 1.866 -3.923 -10.523 1.00 2.27 N ATOM 0 H ASN A 6 0.709 -2.045 -8.365 1.00 1.71 H new ATOM 0 HA ASN A 6 2.783 -2.990 -6.544 1.00 1.22 H new ATOM 0 HB2 ASN A 6 3.747 -4.284 -8.593 1.00 1.81 H new ATOM 0 HB3 ASN A 6 2.632 -5.061 -7.487 1.00 1.81 H new ATOM 0 HD21 ASN A 6 1.238 -4.132 -11.300 1.00 2.27 H new ATOM 0 HD22 ASN A 6 2.547 -3.168 -10.606 1.00 2.27 H new ATOM 94 N LEU A 7 3.941 -1.007 -7.378 1.00 0.51 N ATOM 95 CA LEU A 7 4.418 0.359 -7.631 1.00 0.39 C ATOM 96 C LEU A 7 5.399 0.817 -6.540 1.00 0.39 C ATOM 97 O LEU A 7 5.726 0.056 -5.635 1.00 0.45 O ATOM 98 CB LEU A 7 3.209 1.316 -7.796 1.00 0.47 C ATOM 99 CG LEU A 7 2.412 1.729 -6.530 1.00 0.55 C ATOM 100 CD1 LEU A 7 1.103 2.389 -6.986 1.00 0.67 C ATOM 101 CD2 LEU A 7 2.070 0.582 -5.569 1.00 0.59 C ATOM 0 H LEU A 7 4.234 -1.357 -6.466 1.00 0.51 H new ATOM 0 HA LEU A 7 4.979 0.377 -8.565 1.00 0.39 H new ATOM 0 HB2 LEU A 7 3.571 2.228 -8.272 1.00 0.47 H new ATOM 0 HB3 LEU A 7 2.510 0.850 -8.490 1.00 0.47 H new ATOM 0 HG LEU A 7 3.060 2.402 -5.969 1.00 0.55 H new ATOM 0 HD11 LEU A 7 0.523 2.689 -6.113 1.00 0.67 H new ATOM 0 HD12 LEU A 7 1.330 3.267 -7.590 1.00 0.67 H new ATOM 0 HD13 LEU A 7 0.525 1.680 -7.579 1.00 0.67 H new ATOM 0 HD21 LEU A 7 1.514 0.974 -4.718 1.00 0.59 H new ATOM 0 HD22 LEU A 7 1.463 -0.159 -6.089 1.00 0.59 H new ATOM 0 HD23 LEU A 7 2.990 0.116 -5.217 1.00 0.59 H new ATOM 113 N GLN A 8 5.878 2.057 -6.609 1.00 0.37 N ATOM 114 CA GLN A 8 6.582 2.716 -5.515 1.00 0.40 C ATOM 115 C GLN A 8 5.662 3.647 -4.729 1.00 0.39 C ATOM 116 O GLN A 8 4.623 4.124 -5.190 1.00 0.46 O ATOM 117 CB GLN A 8 7.813 3.471 -6.030 1.00 0.48 C ATOM 118 CG GLN A 8 9.077 2.612 -6.070 1.00 0.66 C ATOM 119 CD GLN A 8 10.271 3.433 -6.547 1.00 1.06 C ATOM 120 OE1 GLN A 8 10.195 4.280 -7.433 1.00 1.74 O ATOM 121 NE2 GLN A 8 11.424 3.278 -5.942 1.00 1.65 N ATOM 0 H GLN A 8 5.786 2.640 -7.441 1.00 0.37 H new ATOM 0 HA GLN A 8 6.920 1.937 -4.831 1.00 0.40 H new ATOM 0 HB2 GLN A 8 7.607 3.848 -7.032 1.00 0.48 H new ATOM 0 HB3 GLN A 8 7.991 4.338 -5.394 1.00 0.48 H new ATOM 0 HG2 GLN A 8 9.280 2.208 -5.078 1.00 0.66 H new ATOM 0 HG3 GLN A 8 8.924 1.762 -6.735 1.00 0.66 H new ATOM 0 HE21 GLN A 8 11.522 2.583 -5.202 1.00 1.65 H new ATOM 0 HE22 GLN A 8 12.223 3.852 -6.212 1.00 1.65 H new ATOM 130 N LEU A 9 6.089 3.907 -3.503 1.00 0.48 N ATOM 131 CA LEU A 9 5.455 4.810 -2.568 1.00 0.39 C ATOM 132 C LEU A 9 6.286 6.101 -2.513 1.00 0.60 C ATOM 133 O LEU A 9 7.508 6.060 -2.621 1.00 1.16 O ATOM 134 CB LEU A 9 5.348 4.039 -1.238 1.00 0.51 C ATOM 135 CG LEU A 9 4.588 4.769 -0.118 1.00 1.17 C ATOM 136 CD1 LEU A 9 3.942 3.745 0.820 1.00 2.23 C ATOM 137 CD2 LEU A 9 5.523 5.630 0.739 1.00 2.23 C ATOM 0 H LEU A 9 6.927 3.471 -3.119 1.00 0.48 H new ATOM 0 HA LEU A 9 4.449 5.124 -2.847 1.00 0.39 H new ATOM 0 HB2 LEU A 9 4.855 3.085 -1.428 1.00 0.51 H new ATOM 0 HB3 LEU A 9 6.354 3.813 -0.885 1.00 0.51 H new ATOM 0 HG LEU A 9 3.844 5.403 -0.601 1.00 1.17 H new ATOM 0 HD11 LEU A 9 3.404 4.266 1.612 1.00 2.23 H new ATOM 0 HD12 LEU A 9 3.246 3.124 0.257 1.00 2.23 H new ATOM 0 HD13 LEU A 9 4.716 3.115 1.260 1.00 2.23 H new ATOM 0 HD21 LEU A 9 4.946 6.128 1.518 1.00 2.23 H new ATOM 0 HD22 LEU A 9 6.282 4.997 1.198 1.00 2.23 H new ATOM 0 HD23 LEU A 9 6.006 6.378 0.111 1.00 2.23 H new ATOM 149 N GLU A 10 5.617 7.241 -2.361 1.00 0.54 N ATOM 150 CA GLU A 10 6.220 8.533 -2.047 1.00 0.66 C ATOM 151 C GLU A 10 5.726 8.990 -0.676 1.00 0.67 C ATOM 152 O GLU A 10 4.600 8.684 -0.282 1.00 0.73 O ATOM 153 CB GLU A 10 5.859 9.584 -3.115 1.00 1.00 C ATOM 154 CG GLU A 10 6.709 10.863 -3.018 1.00 1.98 C ATOM 155 CD GLU A 10 8.189 10.558 -2.779 1.00 3.49 C ATOM 156 OE1 GLU A 10 8.834 10.022 -3.705 1.00 4.28 O ATOM 157 OE2 GLU A 10 8.636 10.754 -1.624 1.00 4.88 O ATOM 0 H GLU A 10 4.603 7.292 -2.457 1.00 0.54 H new ATOM 0 HA GLU A 10 7.305 8.426 -2.035 1.00 0.66 H new ATOM 0 HB2 GLU A 10 5.986 9.145 -4.105 1.00 1.00 H new ATOM 0 HB3 GLU A 10 4.806 9.847 -3.015 1.00 1.00 H new ATOM 0 HG2 GLU A 10 6.603 11.438 -3.938 1.00 1.98 H new ATOM 0 HG3 GLU A 10 6.333 11.486 -2.207 1.00 1.98 H new ATOM 164 N GLY A 11 6.560 9.718 0.062 1.00 1.15 N ATOM 165 CA GLY A 11 6.325 10.049 1.469 1.00 1.49 C ATOM 166 C GLY A 11 7.069 9.126 2.434 1.00 1.36 C ATOM 167 O GLY A 11 7.227 9.507 3.589 1.00 1.79 O ATOM 0 H GLY A 11 7.432 10.101 -0.304 1.00 1.15 H new ATOM 0 HA2 GLY A 11 6.633 11.079 1.650 1.00 1.49 H new ATOM 0 HA3 GLY A 11 5.256 9.995 1.675 1.00 1.49 H new ATOM 171 N MET A 12 7.638 8.001 1.966 1.00 1.11 N ATOM 172 CA MET A 12 8.551 7.086 2.691 1.00 1.22 C ATOM 173 C MET A 12 9.829 7.715 3.305 1.00 1.20 C ATOM 174 O MET A 12 10.743 7.021 3.744 1.00 2.21 O ATOM 175 CB MET A 12 8.945 5.914 1.764 1.00 1.64 C ATOM 176 CG MET A 12 8.851 4.607 2.556 1.00 2.28 C ATOM 177 SD MET A 12 9.836 3.227 1.936 1.00 2.77 S ATOM 178 CE MET A 12 11.453 3.795 2.523 1.00 3.72 C ATOM 0 H MET A 12 7.465 7.683 1.013 1.00 1.11 H new ATOM 0 HA MET A 12 7.974 6.756 3.555 1.00 1.22 H new ATOM 0 HB2 MET A 12 8.284 5.879 0.898 1.00 1.64 H new ATOM 0 HB3 MET A 12 9.958 6.055 1.387 1.00 1.64 H new ATOM 0 HG2 MET A 12 9.151 4.807 3.585 1.00 2.28 H new ATOM 0 HG3 MET A 12 7.806 4.297 2.583 1.00 2.28 H new ATOM 0 HE1 MET A 12 12.206 3.039 2.302 1.00 3.72 H new ATOM 0 HE2 MET A 12 11.715 4.727 2.022 1.00 3.72 H new ATOM 0 HE3 MET A 12 11.411 3.962 3.599 1.00 3.72 H new ATOM 188 N ARG A 13 9.887 9.044 3.371 1.00 1.80 N ATOM 189 CA ARG A 13 10.966 9.889 3.878 1.00 2.20 C ATOM 190 C ARG A 13 11.212 9.736 5.396 1.00 2.25 C ATOM 191 O ARG A 13 12.173 10.313 5.896 1.00 3.04 O ATOM 192 CB ARG A 13 10.638 11.358 3.513 1.00 2.70 C ATOM 193 CG ARG A 13 10.087 11.642 2.089 1.00 3.45 C ATOM 194 CD ARG A 13 11.074 11.546 0.914 1.00 4.30 C ATOM 195 NE ARG A 13 11.826 10.284 0.883 1.00 4.81 N ATOM 196 CZ ARG A 13 11.528 9.174 0.220 1.00 6.07 C ATOM 197 NH1 ARG A 13 10.485 9.019 -0.560 1.00 6.80 N ATOM 198 NH2 ARG A 13 12.327 8.143 0.328 1.00 7.23 N ATOM 0 H ARG A 13 9.105 9.609 3.039 1.00 1.80 H new ATOM 0 HA ARG A 13 11.896 9.570 3.408 1.00 2.20 H new ATOM 0 HB2 ARG A 13 9.910 11.728 4.234 1.00 2.70 H new ATOM 0 HB3 ARG A 13 11.545 11.947 3.645 1.00 2.70 H new ATOM 0 HG2 ARG A 13 9.270 10.946 1.900 1.00 3.45 H new ATOM 0 HG3 ARG A 13 9.659 12.644 2.088 1.00 3.45 H new ATOM 0 HD2 ARG A 13 10.525 11.656 -0.021 1.00 4.30 H new ATOM 0 HD3 ARG A 13 11.777 12.377 0.971 1.00 4.30 H new ATOM 0 HE ARG A 13 12.681 10.258 1.439 1.00 4.81 H new ATOM 0 HH11 ARG A 13 9.829 9.788 -0.693 1.00 6.80 H new ATOM 0 HH12 ARG A 13 10.330 8.129 -1.034 1.00 6.80 H new ATOM 0 HH21 ARG A 13 13.160 8.203 0.913 1.00 7.23 H new ATOM 0 HH22 ARG A 13 12.116 7.280 -0.173 1.00 7.23 H new ATOM 212 N CYS A 14 10.373 8.979 6.126 1.00 1.97 N ATOM 213 CA CYS A 14 10.492 8.654 7.557 1.00 2.07 C ATOM 214 C CYS A 14 9.450 7.596 8.004 1.00 2.21 C ATOM 215 O CYS A 14 8.555 7.258 7.234 1.00 3.24 O ATOM 216 CB CYS A 14 10.358 9.947 8.388 1.00 2.49 C ATOM 217 SG CYS A 14 11.237 9.757 9.967 1.00 3.08 S ATOM 0 H CYS A 14 9.546 8.553 5.707 1.00 1.97 H new ATOM 0 HA CYS A 14 11.474 8.213 7.727 1.00 2.07 H new ATOM 0 HB2 CYS A 14 10.767 10.791 7.833 1.00 2.49 H new ATOM 0 HB3 CYS A 14 9.306 10.165 8.571 1.00 2.49 H new ATOM 0 HG CYS A 14 11.123 10.850 10.662 1.00 3.08 H new ATOM 223 N ALA A 15 9.548 7.153 9.263 1.00 1.92 N ATOM 224 CA ALA A 15 8.476 6.613 10.121 1.00 2.36 C ATOM 225 C ALA A 15 7.845 5.248 9.743 1.00 1.87 C ATOM 226 O ALA A 15 7.793 4.822 8.594 1.00 2.69 O ATOM 227 CB ALA A 15 7.398 7.693 10.308 1.00 3.58 C ATOM 0 H ALA A 15 10.445 7.161 9.749 1.00 1.92 H new ATOM 0 HA ALA A 15 8.982 6.364 11.054 1.00 2.36 H new ATOM 0 HB1 ALA A 15 6.600 7.305 10.941 1.00 3.58 H new ATOM 0 HB2 ALA A 15 7.840 8.571 10.779 1.00 3.58 H new ATOM 0 HB3 ALA A 15 6.988 7.970 9.337 1.00 3.58 H new ATOM 233 N ALA A 16 7.255 4.586 10.747 1.00 1.31 N ATOM 234 CA ALA A 16 6.578 3.285 10.629 1.00 1.27 C ATOM 235 C ALA A 16 5.209 3.336 9.909 1.00 0.94 C ATOM 236 O ALA A 16 4.528 2.313 9.772 1.00 1.01 O ATOM 237 CB ALA A 16 6.459 2.699 12.044 1.00 1.77 C ATOM 0 H ALA A 16 7.235 4.954 11.698 1.00 1.31 H new ATOM 0 HA ALA A 16 7.180 2.643 9.986 1.00 1.27 H new ATOM 0 HB1 ALA A 16 5.960 1.731 11.996 1.00 1.77 H new ATOM 0 HB2 ALA A 16 7.454 2.574 12.471 1.00 1.77 H new ATOM 0 HB3 ALA A 16 5.878 3.376 12.670 1.00 1.77 H new ATOM 243 N CYS A 17 4.789 4.515 9.435 1.00 0.78 N ATOM 244 CA CYS A 17 3.525 4.737 8.735 1.00 0.74 C ATOM 245 C CYS A 17 3.398 3.884 7.458 1.00 0.71 C ATOM 246 O CYS A 17 2.288 3.517 7.087 1.00 0.74 O ATOM 247 CB CYS A 17 3.405 6.237 8.419 1.00 1.04 C ATOM 248 SG CYS A 17 3.661 7.256 9.897 1.00 1.79 S ATOM 0 H CYS A 17 5.341 5.367 9.533 1.00 0.78 H new ATOM 0 HA CYS A 17 2.706 4.423 9.381 1.00 0.74 H new ATOM 0 HB2 CYS A 17 4.137 6.508 7.658 1.00 1.04 H new ATOM 0 HB3 CYS A 17 2.420 6.443 8.001 1.00 1.04 H new ATOM 0 HG CYS A 17 3.553 8.513 9.582 1.00 1.79 H new ATOM 254 N ALA A 18 4.523 3.528 6.831 1.00 0.80 N ATOM 255 CA ALA A 18 4.598 2.722 5.610 1.00 0.91 C ATOM 256 C ALA A 18 4.143 1.268 5.837 1.00 0.84 C ATOM 257 O ALA A 18 3.134 0.854 5.281 1.00 0.78 O ATOM 258 CB ALA A 18 6.026 2.815 5.059 1.00 1.19 C ATOM 0 H ALA A 18 5.443 3.805 7.174 1.00 0.80 H new ATOM 0 HA ALA A 18 3.902 3.118 4.870 1.00 0.91 H new ATOM 0 HB1 ALA A 18 6.104 2.221 4.148 1.00 1.19 H new ATOM 0 HB2 ALA A 18 6.263 3.855 4.835 1.00 1.19 H new ATOM 0 HB3 ALA A 18 6.728 2.435 5.801 1.00 1.19 H new ATOM 264 N SER A 19 4.790 0.499 6.712 1.00 0.97 N ATOM 265 CA SER A 19 4.306 -0.866 7.035 1.00 1.07 C ATOM 266 C SER A 19 2.975 -0.864 7.806 1.00 0.92 C ATOM 267 O SER A 19 2.229 -1.841 7.812 1.00 0.96 O ATOM 268 CB SER A 19 5.371 -1.668 7.784 1.00 1.38 C ATOM 269 OG SER A 19 6.384 -2.036 6.875 1.00 2.63 O ATOM 0 H SER A 19 5.636 0.780 7.208 1.00 0.97 H new ATOM 0 HA SER A 19 4.112 -1.356 6.081 1.00 1.07 H new ATOM 0 HB2 SER A 19 5.790 -1.073 8.596 1.00 1.38 H new ATOM 0 HB3 SER A 19 4.928 -2.556 8.235 1.00 1.38 H new ATOM 0 HG SER A 19 6.058 -2.756 6.296 1.00 2.63 H new ATOM 275 N SER A 20 2.590 0.268 8.397 1.00 0.80 N ATOM 276 CA SER A 20 1.222 0.447 8.894 1.00 0.78 C ATOM 277 C SER A 20 0.159 0.399 7.770 1.00 0.70 C ATOM 278 O SER A 20 -1.024 0.182 8.057 1.00 0.83 O ATOM 279 CB SER A 20 1.116 1.742 9.709 1.00 0.81 C ATOM 280 OG SER A 20 2.032 1.764 10.785 1.00 2.38 O ATOM 0 H SER A 20 3.201 1.071 8.543 1.00 0.80 H new ATOM 0 HA SER A 20 1.006 -0.399 9.547 1.00 0.78 H new ATOM 0 HB2 SER A 20 1.300 2.597 9.058 1.00 0.81 H new ATOM 0 HB3 SER A 20 0.102 1.847 10.094 1.00 0.81 H new ATOM 0 HG SER A 20 2.922 2.004 10.452 1.00 2.38 H new ATOM 286 N ILE A 21 0.533 0.591 6.495 1.00 0.57 N ATOM 287 CA ILE A 21 -0.326 0.342 5.316 1.00 0.54 C ATOM 288 C ILE A 21 -0.617 -1.154 5.177 1.00 0.58 C ATOM 289 O ILE A 21 -1.781 -1.526 5.072 1.00 0.69 O ATOM 290 CB ILE A 21 0.321 0.896 4.023 1.00 0.59 C ATOM 291 CG1 ILE A 21 0.640 2.402 4.142 1.00 0.56 C ATOM 292 CG2 ILE A 21 -0.604 0.660 2.818 1.00 0.67 C ATOM 293 CD1 ILE A 21 1.635 2.900 3.097 1.00 0.69 C ATOM 0 H ILE A 21 1.461 0.931 6.245 1.00 0.57 H new ATOM 0 HA ILE A 21 -1.268 0.868 5.467 1.00 0.54 H new ATOM 0 HB ILE A 21 1.259 0.361 3.875 1.00 0.59 H new ATOM 0 HG12 ILE A 21 -0.286 2.969 4.049 1.00 0.56 H new ATOM 0 HG13 ILE A 21 1.039 2.603 5.136 1.00 0.56 H new ATOM 0 HG21 ILE A 21 -0.135 1.055 1.917 1.00 0.67 H new ATOM 0 HG22 ILE A 21 -0.779 -0.409 2.697 1.00 0.67 H new ATOM 0 HG23 ILE A 21 -1.555 1.167 2.984 1.00 0.67 H new ATOM 0 HD11 ILE A 21 1.811 3.966 3.241 1.00 0.69 H new ATOM 0 HD12 ILE A 21 2.575 2.359 3.203 1.00 0.69 H new ATOM 0 HD13 ILE A 21 1.230 2.731 2.099 1.00 0.69 H new ATOM 305 N GLU A 22 0.411 -2.001 5.259 1.00 0.53 N ATOM 306 CA GLU A 22 0.294 -3.462 5.155 1.00 0.59 C ATOM 307 C GLU A 22 -0.739 -3.969 6.181 1.00 0.57 C ATOM 308 O GLU A 22 -1.726 -4.621 5.834 1.00 0.57 O ATOM 309 CB GLU A 22 1.690 -4.111 5.340 1.00 0.66 C ATOM 310 CG GLU A 22 2.722 -3.597 4.319 1.00 0.70 C ATOM 311 CD GLU A 22 4.142 -4.130 4.545 1.00 0.86 C ATOM 312 OE1 GLU A 22 4.886 -3.520 5.350 1.00 1.92 O ATOM 313 OE2 GLU A 22 4.513 -5.085 3.828 1.00 1.91 O ATOM 0 H GLU A 22 1.370 -1.686 5.403 1.00 0.53 H new ATOM 0 HA GLU A 22 -0.064 -3.747 4.166 1.00 0.59 H new ATOM 0 HB2 GLU A 22 2.050 -3.908 6.349 1.00 0.66 H new ATOM 0 HB3 GLU A 22 1.599 -5.193 5.246 1.00 0.66 H new ATOM 0 HG2 GLU A 22 2.396 -3.875 3.317 1.00 0.70 H new ATOM 0 HG3 GLU A 22 2.744 -2.508 4.356 1.00 0.70 H new ATOM 320 N ARG A 23 -0.602 -3.530 7.440 1.00 0.59 N ATOM 321 CA ARG A 23 -1.518 -3.870 8.534 1.00 0.65 C ATOM 322 C ARG A 23 -2.915 -3.233 8.423 1.00 0.65 C ATOM 323 O ARG A 23 -3.830 -3.599 9.164 1.00 0.71 O ATOM 324 CB ARG A 23 -0.831 -3.504 9.855 1.00 0.74 C ATOM 325 CG ARG A 23 -1.439 -4.291 11.024 1.00 0.98 C ATOM 326 CD ARG A 23 -0.548 -4.284 12.270 1.00 1.72 C ATOM 327 NE ARG A 23 -1.054 -5.261 13.255 1.00 1.88 N ATOM 328 CZ ARG A 23 -1.737 -5.032 14.373 1.00 2.58 C ATOM 329 NH1 ARG A 23 -2.016 -3.817 14.802 1.00 3.95 N ATOM 330 NH2 ARG A 23 -2.155 -6.056 15.091 1.00 2.66 N ATOM 0 H ARG A 23 0.161 -2.919 7.730 1.00 0.59 H new ATOM 0 HA ARG A 23 -1.718 -4.940 8.481 1.00 0.65 H new ATOM 0 HB2 ARG A 23 0.236 -3.715 9.785 1.00 0.74 H new ATOM 0 HB3 ARG A 23 -0.933 -2.435 10.039 1.00 0.74 H new ATOM 0 HG2 ARG A 23 -2.411 -3.867 11.275 1.00 0.98 H new ATOM 0 HG3 ARG A 23 -1.612 -5.321 10.712 1.00 0.98 H new ATOM 0 HD2 ARG A 23 0.478 -4.529 11.995 1.00 1.72 H new ATOM 0 HD3 ARG A 23 -0.531 -3.287 12.710 1.00 1.72 H new ATOM 0 HE ARG A 23 -0.853 -6.240 13.051 1.00 1.88 H new ATOM 0 HH11 ARG A 23 -1.705 -3.004 14.270 1.00 3.95 H new ATOM 0 HH12 ARG A 23 -2.543 -3.690 15.666 1.00 3.95 H new ATOM 0 HH21 ARG A 23 -1.953 -7.008 14.787 1.00 2.66 H new ATOM 0 HH22 ARG A 23 -2.680 -5.896 15.951 1.00 2.66 H new ATOM 344 N ALA A 24 -3.088 -2.237 7.556 1.00 0.67 N ATOM 345 CA ALA A 24 -4.389 -1.639 7.245 1.00 0.69 C ATOM 346 C ALA A 24 -5.095 -2.349 6.078 1.00 0.62 C ATOM 347 O ALA A 24 -6.293 -2.605 6.174 1.00 0.68 O ATOM 348 CB ALA A 24 -4.209 -0.139 6.983 1.00 0.78 C ATOM 0 H ALA A 24 -2.316 -1.814 7.040 1.00 0.67 H new ATOM 0 HA ALA A 24 -5.044 -1.769 8.106 1.00 0.69 H new ATOM 0 HB1 ALA A 24 -5.176 0.308 6.751 1.00 0.78 H new ATOM 0 HB2 ALA A 24 -3.792 0.338 7.870 1.00 0.78 H new ATOM 0 HB3 ALA A 24 -3.532 0.005 6.141 1.00 0.78 H new ATOM 354 N ILE A 25 -4.361 -2.726 5.025 1.00 0.57 N ATOM 355 CA ILE A 25 -4.890 -3.479 3.879 1.00 0.57 C ATOM 356 C ILE A 25 -5.206 -4.933 4.256 1.00 0.54 C ATOM 357 O ILE A 25 -6.163 -5.492 3.730 1.00 0.57 O ATOM 358 CB ILE A 25 -3.956 -3.357 2.655 1.00 0.68 C ATOM 359 CG1 ILE A 25 -3.823 -1.884 2.197 1.00 0.69 C ATOM 360 CG2 ILE A 25 -4.548 -4.207 1.519 1.00 0.88 C ATOM 361 CD1 ILE A 25 -2.742 -1.666 1.130 1.00 1.00 C ATOM 0 H ILE A 25 -3.367 -2.514 4.943 1.00 0.57 H new ATOM 0 HA ILE A 25 -5.841 -3.033 3.587 1.00 0.57 H new ATOM 0 HB ILE A 25 -2.960 -3.709 2.922 1.00 0.68 H new ATOM 0 HG12 ILE A 25 -4.782 -1.547 1.804 1.00 0.69 H new ATOM 0 HG13 ILE A 25 -3.597 -1.262 3.063 1.00 0.69 H new ATOM 0 HG21 ILE A 25 -3.906 -4.138 0.641 1.00 0.88 H new ATOM 0 HG22 ILE A 25 -4.615 -5.247 1.839 1.00 0.88 H new ATOM 0 HG23 ILE A 25 -5.544 -3.840 1.270 1.00 0.88 H new ATOM 0 HD11 ILE A 25 -2.707 -0.611 0.858 1.00 1.00 H new ATOM 0 HD12 ILE A 25 -1.773 -1.972 1.526 1.00 1.00 H new ATOM 0 HD13 ILE A 25 -2.977 -2.260 0.247 1.00 1.00 H new ATOM 373 N ALA A 26 -4.529 -5.492 5.267 1.00 0.51 N ATOM 374 CA ALA A 26 -4.870 -6.768 5.920 1.00 0.49 C ATOM 375 C ALA A 26 -6.343 -6.895 6.389 1.00 0.50 C ATOM 376 O ALA A 26 -6.796 -7.987 6.717 1.00 0.57 O ATOM 377 CB ALA A 26 -3.899 -6.974 7.090 1.00 0.51 C ATOM 0 H ALA A 26 -3.699 -5.055 5.669 1.00 0.51 H new ATOM 0 HA ALA A 26 -4.767 -7.552 5.170 1.00 0.49 H new ATOM 0 HB1 ALA A 26 -4.129 -7.913 7.593 1.00 0.51 H new ATOM 0 HB2 ALA A 26 -2.877 -7.005 6.713 1.00 0.51 H new ATOM 0 HB3 ALA A 26 -4.001 -6.150 7.796 1.00 0.51 H new ATOM 383 N LYS A 27 -7.101 -5.794 6.418 1.00 0.53 N ATOM 384 CA LYS A 27 -8.548 -5.788 6.670 1.00 0.59 C ATOM 385 C LYS A 27 -9.414 -5.903 5.402 1.00 0.60 C ATOM 386 O LYS A 27 -10.618 -6.123 5.521 1.00 0.67 O ATOM 387 CB LYS A 27 -8.926 -4.497 7.393 1.00 0.75 C ATOM 388 CG LYS A 27 -8.111 -4.239 8.666 1.00 1.12 C ATOM 389 CD LYS A 27 -8.770 -3.078 9.413 1.00 2.06 C ATOM 390 CE LYS A 27 -7.726 -2.152 10.038 1.00 2.39 C ATOM 391 NZ LYS A 27 -8.388 -1.005 10.702 1.00 3.55 N ATOM 0 H LYS A 27 -6.718 -4.861 6.264 1.00 0.53 H new ATOM 0 HA LYS A 27 -8.750 -6.673 7.273 1.00 0.59 H new ATOM 0 HB2 LYS A 27 -8.793 -3.657 6.711 1.00 0.75 H new ATOM 0 HB3 LYS A 27 -9.984 -4.533 7.651 1.00 0.75 H new ATOM 0 HG2 LYS A 27 -8.086 -5.131 9.292 1.00 1.12 H new ATOM 0 HG3 LYS A 27 -7.078 -3.996 8.416 1.00 1.12 H new ATOM 0 HD2 LYS A 27 -9.397 -2.510 8.726 1.00 2.06 H new ATOM 0 HD3 LYS A 27 -9.424 -3.469 10.192 1.00 2.06 H new ATOM 0 HE2 LYS A 27 -7.127 -2.704 10.762 1.00 2.39 H new ATOM 0 HE3 LYS A 27 -7.043 -1.791 9.269 1.00 2.39 H new ATOM 0 HZ1 LYS A 27 -7.667 -0.384 11.122 1.00 3.55 H new ATOM 0 HZ2 LYS A 27 -8.940 -0.470 10.002 1.00 3.55 H new ATOM 0 HZ3 LYS A 27 -9.022 -1.355 11.449 1.00 3.55 H new ATOM 405 N VAL A 28 -8.860 -5.686 4.210 1.00 0.61 N ATOM 406 CA VAL A 28 -9.625 -5.647 2.957 1.00 0.74 C ATOM 407 C VAL A 28 -9.974 -7.087 2.567 1.00 0.82 C ATOM 408 O VAL A 28 -9.058 -7.900 2.455 1.00 0.74 O ATOM 409 CB VAL A 28 -8.849 -4.922 1.830 1.00 0.81 C ATOM 410 CG1 VAL A 28 -9.675 -4.906 0.532 1.00 1.16 C ATOM 411 CG2 VAL A 28 -8.565 -3.466 2.241 1.00 0.97 C ATOM 0 H VAL A 28 -7.860 -5.531 4.082 1.00 0.61 H new ATOM 0 HA VAL A 28 -10.540 -5.073 3.106 1.00 0.74 H new ATOM 0 HB VAL A 28 -7.914 -5.457 1.664 1.00 0.81 H new ATOM 0 HG11 VAL A 28 -9.115 -4.393 -0.249 1.00 1.16 H new ATOM 0 HG12 VAL A 28 -9.880 -5.930 0.219 1.00 1.16 H new ATOM 0 HG13 VAL A 28 -10.616 -4.384 0.706 1.00 1.16 H new ATOM 0 HG21 VAL A 28 -8.019 -2.963 1.443 1.00 0.97 H new ATOM 0 HG22 VAL A 28 -9.507 -2.948 2.419 1.00 0.97 H new ATOM 0 HG23 VAL A 28 -7.967 -3.455 3.153 1.00 0.97 H new ATOM 421 N PRO A 29 -11.258 -7.436 2.349 1.00 1.08 N ATOM 422 CA PRO A 29 -11.692 -8.831 2.269 1.00 1.34 C ATOM 423 C PRO A 29 -11.112 -9.616 1.083 1.00 1.54 C ATOM 424 O PRO A 29 -11.200 -10.840 1.084 1.00 2.78 O ATOM 425 CB PRO A 29 -13.226 -8.794 2.250 1.00 1.64 C ATOM 426 CG PRO A 29 -13.553 -7.389 1.749 1.00 1.60 C ATOM 427 CD PRO A 29 -12.418 -6.556 2.339 1.00 1.23 C ATOM 0 HA PRO A 29 -11.309 -9.380 3.129 1.00 1.34 H new ATOM 0 HB2 PRO A 29 -13.636 -9.559 1.590 1.00 1.64 H new ATOM 0 HB3 PRO A 29 -13.642 -8.972 3.242 1.00 1.64 H new ATOM 0 HG2 PRO A 29 -13.569 -7.340 0.660 1.00 1.60 H new ATOM 0 HG3 PRO A 29 -14.529 -7.051 2.098 1.00 1.60 H new ATOM 0 HD2 PRO A 29 -12.231 -5.666 1.739 1.00 1.23 H new ATOM 0 HD3 PRO A 29 -12.662 -6.216 3.345 1.00 1.23 H new ATOM 435 N GLY A 30 -10.491 -8.947 0.102 1.00 0.84 N ATOM 436 CA GLY A 30 -9.750 -9.598 -0.983 1.00 0.98 C ATOM 437 C GLY A 30 -8.234 -9.697 -0.781 1.00 0.90 C ATOM 438 O GLY A 30 -7.569 -10.139 -1.713 1.00 1.00 O ATOM 0 H GLY A 30 -10.490 -7.929 0.040 1.00 0.84 H new ATOM 0 HA2 GLY A 30 -10.147 -10.604 -1.118 1.00 0.98 H new ATOM 0 HA3 GLY A 30 -9.941 -9.053 -1.908 1.00 0.98 H new ATOM 442 N VAL A 31 -7.674 -9.240 0.349 1.00 0.77 N ATOM 443 CA VAL A 31 -6.215 -9.198 0.611 1.00 0.63 C ATOM 444 C VAL A 31 -5.631 -10.615 0.555 1.00 0.67 C ATOM 445 O VAL A 31 -5.997 -11.496 1.329 1.00 0.85 O ATOM 446 CB VAL A 31 -5.880 -8.434 1.907 1.00 0.56 C ATOM 447 CG1 VAL A 31 -6.324 -9.153 3.193 1.00 0.96 C ATOM 448 CG2 VAL A 31 -4.373 -8.139 1.983 1.00 0.68 C ATOM 0 H VAL A 31 -8.228 -8.880 1.126 1.00 0.77 H new ATOM 0 HA VAL A 31 -5.730 -8.624 -0.178 1.00 0.63 H new ATOM 0 HB VAL A 31 -6.450 -7.507 1.854 1.00 0.56 H new ATOM 0 HG11 VAL A 31 -6.052 -8.550 4.059 1.00 0.96 H new ATOM 0 HG12 VAL A 31 -7.404 -9.296 3.175 1.00 0.96 H new ATOM 0 HG13 VAL A 31 -5.831 -10.123 3.256 1.00 0.96 H new ATOM 0 HG21 VAL A 31 -4.154 -7.599 2.904 1.00 0.68 H new ATOM 0 HG22 VAL A 31 -3.818 -9.077 1.971 1.00 0.68 H new ATOM 0 HG23 VAL A 31 -4.078 -7.532 1.128 1.00 0.68 H new ATOM 458 N GLN A 32 -4.756 -10.832 -0.424 1.00 0.61 N ATOM 459 CA GLN A 32 -4.202 -12.147 -0.757 1.00 0.63 C ATOM 460 C GLN A 32 -2.683 -12.218 -0.560 1.00 0.69 C ATOM 461 O GLN A 32 -2.136 -13.311 -0.458 1.00 0.92 O ATOM 462 CB GLN A 32 -4.642 -12.526 -2.185 1.00 0.81 C ATOM 463 CG GLN A 32 -4.091 -11.621 -3.304 1.00 0.85 C ATOM 464 CD GLN A 32 -2.891 -12.220 -4.035 1.00 1.22 C ATOM 465 OE1 GLN A 32 -3.015 -12.865 -5.065 1.00 1.61 O ATOM 466 NE2 GLN A 32 -1.692 -12.052 -3.514 1.00 1.53 N ATOM 0 H GLN A 32 -4.403 -10.085 -1.022 1.00 0.61 H new ATOM 0 HA GLN A 32 -4.601 -12.885 -0.061 1.00 0.63 H new ATOM 0 HB2 GLN A 32 -4.331 -13.552 -2.383 1.00 0.81 H new ATOM 0 HB3 GLN A 32 -5.731 -12.509 -2.229 1.00 0.81 H new ATOM 0 HG2 GLN A 32 -4.884 -11.424 -4.025 1.00 0.85 H new ATOM 0 HG3 GLN A 32 -3.804 -10.661 -2.876 1.00 0.85 H new ATOM 0 HE21 GLN A 32 -1.580 -11.515 -2.654 1.00 1.53 H new ATOM 0 HE22 GLN A 32 -0.876 -12.459 -3.971 1.00 1.53 H new ATOM 475 N SER A 33 -1.993 -11.075 -0.479 1.00 0.64 N ATOM 476 CA SER A 33 -0.591 -10.927 -0.032 1.00 0.83 C ATOM 477 C SER A 33 -0.246 -9.443 0.045 1.00 0.64 C ATOM 478 O SER A 33 -0.766 -8.685 -0.773 1.00 0.65 O ATOM 479 CB SER A 33 0.437 -11.582 -0.971 1.00 1.19 C ATOM 480 OG SER A 33 0.401 -12.990 -0.907 1.00 2.14 O ATOM 0 H SER A 33 -2.412 -10.181 -0.734 1.00 0.64 H new ATOM 0 HA SER A 33 -0.531 -11.428 0.934 1.00 0.83 H new ATOM 0 HB2 SER A 33 0.245 -11.262 -1.995 1.00 1.19 H new ATOM 0 HB3 SER A 33 1.437 -11.234 -0.710 1.00 1.19 H new ATOM 0 HG SER A 33 -0.452 -13.278 -0.520 1.00 2.14 H new ATOM 486 N CYS A 34 0.631 -9.056 0.982 1.00 0.82 N ATOM 487 CA CYS A 34 1.192 -7.708 1.131 1.00 0.71 C ATOM 488 C CYS A 34 2.712 -7.782 1.343 1.00 0.69 C ATOM 489 O CYS A 34 3.166 -8.607 2.137 1.00 0.95 O ATOM 490 CB CYS A 34 0.597 -6.986 2.365 1.00 0.88 C ATOM 491 SG CYS A 34 -1.108 -7.444 2.784 1.00 1.39 S ATOM 0 H CYS A 34 0.983 -9.703 1.687 1.00 0.82 H new ATOM 0 HA CYS A 34 0.948 -7.161 0.220 1.00 0.71 H new ATOM 0 HB2 CYS A 34 1.233 -7.190 3.226 1.00 0.88 H new ATOM 0 HB3 CYS A 34 0.634 -5.911 2.189 1.00 0.88 H new ATOM 0 HG CYS A 34 -1.491 -6.777 3.832 1.00 1.39 H new ATOM 497 N GLN A 35 3.466 -6.879 0.716 1.00 0.56 N ATOM 498 CA GLN A 35 4.871 -6.582 0.995 1.00 0.48 C ATOM 499 C GLN A 35 5.190 -5.116 0.619 1.00 0.42 C ATOM 500 O GLN A 35 5.018 -4.719 -0.537 1.00 0.50 O ATOM 501 CB GLN A 35 5.826 -7.509 0.205 1.00 0.59 C ATOM 502 CG GLN A 35 5.799 -9.021 0.511 1.00 0.99 C ATOM 503 CD GLN A 35 4.800 -9.854 -0.308 1.00 1.42 C ATOM 504 OE1 GLN A 35 3.933 -9.382 -1.021 1.00 2.90 O ATOM 505 NE2 GLN A 35 4.886 -11.169 -0.266 1.00 2.00 N ATOM 0 H GLN A 35 3.093 -6.305 -0.040 1.00 0.56 H new ATOM 0 HA GLN A 35 5.026 -6.747 2.061 1.00 0.48 H new ATOM 0 HB2 GLN A 35 5.611 -7.381 -0.856 1.00 0.59 H new ATOM 0 HB3 GLN A 35 6.844 -7.155 0.369 1.00 0.59 H new ATOM 0 HG2 GLN A 35 6.799 -9.423 0.346 1.00 0.99 H new ATOM 0 HG3 GLN A 35 5.572 -9.154 1.569 1.00 0.99 H new ATOM 0 HE21 GLN A 35 5.595 -11.615 0.316 1.00 2.00 H new ATOM 0 HE22 GLN A 35 4.244 -11.740 -0.815 1.00 2.00 H new ATOM 514 N VAL A 36 5.713 -4.331 1.565 1.00 0.46 N ATOM 515 CA VAL A 36 6.360 -3.024 1.365 1.00 0.45 C ATOM 516 C VAL A 36 7.846 -3.149 1.719 1.00 0.47 C ATOM 517 O VAL A 36 8.220 -3.712 2.747 1.00 0.57 O ATOM 518 CB VAL A 36 5.699 -1.906 2.209 1.00 0.66 C ATOM 519 CG1 VAL A 36 6.434 -0.554 2.112 1.00 2.01 C ATOM 520 CG2 VAL A 36 4.240 -1.672 1.779 1.00 2.31 C ATOM 0 H VAL A 36 5.697 -4.603 2.548 1.00 0.46 H new ATOM 0 HA VAL A 36 6.242 -2.740 0.319 1.00 0.45 H new ATOM 0 HB VAL A 36 5.751 -2.262 3.238 1.00 0.66 H new ATOM 0 HG11 VAL A 36 5.919 0.185 2.726 1.00 2.01 H new ATOM 0 HG12 VAL A 36 7.458 -0.670 2.466 1.00 2.01 H new ATOM 0 HG13 VAL A 36 6.445 -0.219 1.075 1.00 2.01 H new ATOM 0 HG21 VAL A 36 3.803 -0.882 2.389 1.00 2.31 H new ATOM 0 HG22 VAL A 36 4.213 -1.377 0.730 1.00 2.31 H new ATOM 0 HG23 VAL A 36 3.669 -2.591 1.913 1.00 2.31 H new ATOM 530 N ASN A 37 8.701 -2.608 0.850 1.00 0.48 N ATOM 531 CA ASN A 37 10.152 -2.655 0.991 1.00 0.53 C ATOM 532 C ASN A 37 10.705 -1.303 1.466 1.00 0.59 C ATOM 533 O ASN A 37 10.956 -0.416 0.645 1.00 0.62 O ATOM 534 CB ASN A 37 10.763 -3.067 -0.354 1.00 0.56 C ATOM 535 CG ASN A 37 12.243 -3.359 -0.204 1.00 0.77 C ATOM 536 OD1 ASN A 37 13.080 -2.472 -0.304 1.00 0.98 O ATOM 537 ND2 ASN A 37 12.589 -4.605 0.062 1.00 1.28 N ATOM 0 H ASN A 37 8.395 -2.115 0.011 1.00 0.48 H new ATOM 0 HA ASN A 37 10.422 -3.390 1.749 1.00 0.53 H new ATOM 0 HB2 ASN A 37 10.250 -3.949 -0.737 1.00 0.56 H new ATOM 0 HB3 ASN A 37 10.617 -2.271 -1.084 1.00 0.56 H new ATOM 0 HD21 ASN A 37 13.572 -4.845 0.189 1.00 1.28 H new ATOM 0 HD22 ASN A 37 11.873 -5.327 0.141 1.00 1.28 H new ATOM 544 N PHE A 38 10.950 -1.153 2.773 1.00 0.68 N ATOM 545 CA PHE A 38 11.416 0.100 3.387 1.00 0.78 C ATOM 546 C PHE A 38 12.914 0.405 3.118 1.00 0.81 C ATOM 547 O PHE A 38 13.683 0.688 4.032 1.00 1.08 O ATOM 548 CB PHE A 38 11.013 0.102 4.875 1.00 0.91 C ATOM 549 CG PHE A 38 10.906 1.484 5.498 1.00 1.08 C ATOM 550 CD1 PHE A 38 9.738 2.251 5.315 1.00 1.85 C ATOM 551 CD2 PHE A 38 11.964 2.004 6.270 1.00 2.46 C ATOM 552 CE1 PHE A 38 9.627 3.521 5.911 1.00 2.32 C ATOM 553 CE2 PHE A 38 11.858 3.283 6.847 1.00 3.14 C ATOM 554 CZ PHE A 38 10.686 4.039 6.673 1.00 2.63 C ATOM 0 H PHE A 38 10.829 -1.910 3.446 1.00 0.68 H new ATOM 0 HA PHE A 38 10.918 0.941 2.905 1.00 0.78 H new ATOM 0 HB2 PHE A 38 10.054 -0.405 4.979 1.00 0.91 H new ATOM 0 HB3 PHE A 38 11.743 -0.480 5.437 1.00 0.91 H new ATOM 0 HD1 PHE A 38 8.927 1.864 4.716 1.00 1.85 H new ATOM 0 HD2 PHE A 38 12.859 1.419 6.419 1.00 2.46 H new ATOM 0 HE1 PHE A 38 8.724 4.099 5.782 1.00 2.32 H new ATOM 0 HE2 PHE A 38 12.678 3.684 7.424 1.00 3.14 H new ATOM 0 HZ PHE A 38 10.600 5.016 7.125 1.00 2.63 H new ATOM 564 N ALA A 39 13.341 0.323 1.853 1.00 0.67 N ATOM 565 CA ALA A 39 14.697 0.619 1.384 1.00 0.73 C ATOM 566 C ALA A 39 14.699 1.049 -0.091 1.00 0.65 C ATOM 567 O ALA A 39 15.314 2.052 -0.430 1.00 0.80 O ATOM 568 CB ALA A 39 15.583 -0.615 1.618 1.00 0.83 C ATOM 0 H ALA A 39 12.722 0.035 1.095 1.00 0.67 H new ATOM 0 HA ALA A 39 15.100 1.459 1.949 1.00 0.73 H new ATOM 0 HB1 ALA A 39 16.596 -0.407 1.273 1.00 0.83 H new ATOM 0 HB2 ALA A 39 15.604 -0.851 2.682 1.00 0.83 H new ATOM 0 HB3 ALA A 39 15.179 -1.463 1.066 1.00 0.83 H new ATOM 574 N LEU A 40 13.978 0.326 -0.960 1.00 0.57 N ATOM 575 CA LEU A 40 13.792 0.638 -2.373 1.00 0.53 C ATOM 576 C LEU A 40 12.356 1.166 -2.651 1.00 0.52 C ATOM 577 O LEU A 40 11.999 1.483 -3.783 1.00 0.78 O ATOM 578 CB LEU A 40 14.258 -0.652 -3.094 1.00 0.64 C ATOM 579 CG LEU A 40 13.725 -0.908 -4.498 1.00 0.78 C ATOM 580 CD1 LEU A 40 14.199 0.129 -5.532 1.00 0.87 C ATOM 581 CD2 LEU A 40 14.155 -2.304 -4.981 1.00 0.99 C ATOM 0 H LEU A 40 13.491 -0.526 -0.680 1.00 0.57 H new ATOM 0 HA LEU A 40 14.377 1.474 -2.757 1.00 0.53 H new ATOM 0 HB2 LEU A 40 15.347 -0.633 -3.146 1.00 0.64 H new ATOM 0 HB3 LEU A 40 13.984 -1.503 -2.470 1.00 0.64 H new ATOM 0 HG LEU A 40 12.640 -0.832 -4.424 1.00 0.78 H new ATOM 0 HD11 LEU A 40 13.782 -0.115 -6.509 1.00 0.87 H new ATOM 0 HD12 LEU A 40 13.864 1.122 -5.232 1.00 0.87 H new ATOM 0 HD13 LEU A 40 15.287 0.115 -5.589 1.00 0.87 H new ATOM 0 HD21 LEU A 40 13.769 -2.476 -5.986 1.00 0.99 H new ATOM 0 HD22 LEU A 40 15.243 -2.365 -4.995 1.00 0.99 H new ATOM 0 HD23 LEU A 40 13.758 -3.061 -4.305 1.00 0.99 H new ATOM 593 N GLU A 41 11.519 1.289 -1.620 1.00 0.70 N ATOM 594 CA GLU A 41 10.271 2.068 -1.613 1.00 0.78 C ATOM 595 C GLU A 41 9.137 1.428 -2.425 1.00 0.44 C ATOM 596 O GLU A 41 8.156 2.103 -2.730 1.00 0.33 O ATOM 597 CB GLU A 41 10.488 3.540 -2.038 1.00 1.20 C ATOM 598 CG GLU A 41 11.688 4.199 -1.345 1.00 1.55 C ATOM 599 CD GLU A 41 11.678 5.716 -1.485 1.00 2.23 C ATOM 600 OE1 GLU A 41 10.690 6.354 -1.069 1.00 3.13 O ATOM 601 OE2 GLU A 41 12.706 6.305 -1.872 1.00 2.86 O ATOM 0 H GLU A 41 11.696 0.830 -0.726 1.00 0.70 H new ATOM 0 HA GLU A 41 9.950 2.062 -0.571 1.00 0.78 H new ATOM 0 HB2 GLU A 41 10.632 3.582 -3.118 1.00 1.20 H new ATOM 0 HB3 GLU A 41 9.588 4.112 -1.814 1.00 1.20 H new ATOM 0 HG2 GLU A 41 11.684 3.934 -0.288 1.00 1.55 H new ATOM 0 HG3 GLU A 41 12.611 3.804 -1.769 1.00 1.55 H new ATOM 608 N GLN A 42 9.227 0.150 -2.823 1.00 0.47 N ATOM 609 CA GLN A 42 8.081 -0.493 -3.474 1.00 0.41 C ATOM 610 C GLN A 42 7.002 -0.867 -2.457 1.00 0.40 C ATOM 611 O GLN A 42 7.313 -1.237 -1.326 1.00 0.45 O ATOM 612 CB GLN A 42 8.483 -1.706 -4.326 1.00 0.43 C ATOM 613 CG GLN A 42 8.742 -2.988 -3.501 1.00 0.51 C ATOM 614 CD GLN A 42 9.961 -3.770 -3.962 1.00 0.66 C ATOM 615 OE1 GLN A 42 9.882 -4.858 -4.496 1.00 1.56 O ATOM 616 NE2 GLN A 42 11.151 -3.247 -3.760 1.00 0.96 N ATOM 0 H GLN A 42 10.052 -0.440 -2.710 1.00 0.47 H new ATOM 0 HA GLN A 42 7.663 0.244 -4.160 1.00 0.41 H new ATOM 0 HB2 GLN A 42 7.695 -1.905 -5.053 1.00 0.43 H new ATOM 0 HB3 GLN A 42 9.382 -1.460 -4.890 1.00 0.43 H new ATOM 0 HG2 GLN A 42 8.869 -2.717 -2.453 1.00 0.51 H new ATOM 0 HG3 GLN A 42 7.864 -3.631 -3.559 1.00 0.51 H new ATOM 0 HE21 GLN A 42 11.238 -2.334 -3.313 1.00 0.96 H new ATOM 0 HE22 GLN A 42 11.987 -3.754 -4.050 1.00 0.96 H new ATOM 625 N ALA A 43 5.755 -0.875 -2.922 1.00 0.41 N ATOM 626 CA ALA A 43 4.689 -1.688 -2.355 1.00 0.44 C ATOM 627 C ALA A 43 4.228 -2.698 -3.413 1.00 0.47 C ATOM 628 O ALA A 43 4.088 -2.345 -4.586 1.00 0.70 O ATOM 629 CB ALA A 43 3.543 -0.766 -1.916 1.00 0.48 C ATOM 0 H ALA A 43 5.455 -0.308 -3.715 1.00 0.41 H new ATOM 0 HA ALA A 43 5.036 -2.239 -1.481 1.00 0.44 H new ATOM 0 HB1 ALA A 43 2.738 -1.364 -1.489 1.00 0.48 H new ATOM 0 HB2 ALA A 43 3.908 -0.063 -1.168 1.00 0.48 H new ATOM 0 HB3 ALA A 43 3.168 -0.216 -2.779 1.00 0.48 H new ATOM 635 N VAL A 44 3.952 -3.932 -2.993 1.00 0.39 N ATOM 636 CA VAL A 44 3.127 -4.882 -3.746 1.00 0.44 C ATOM 637 C VAL A 44 2.062 -5.440 -2.813 1.00 0.48 C ATOM 638 O VAL A 44 2.376 -6.003 -1.767 1.00 0.50 O ATOM 639 CB VAL A 44 3.938 -6.001 -4.446 1.00 0.48 C ATOM 640 CG1 VAL A 44 4.918 -6.756 -3.534 1.00 0.47 C ATOM 641 CG2 VAL A 44 3.013 -7.011 -5.149 1.00 0.62 C ATOM 0 H VAL A 44 4.298 -4.307 -2.110 1.00 0.39 H new ATOM 0 HA VAL A 44 2.656 -4.344 -4.569 1.00 0.44 H new ATOM 0 HB VAL A 44 4.545 -5.471 -5.180 1.00 0.48 H new ATOM 0 HG11 VAL A 44 5.439 -7.519 -4.112 1.00 0.47 H new ATOM 0 HG12 VAL A 44 5.643 -6.055 -3.120 1.00 0.47 H new ATOM 0 HG13 VAL A 44 4.367 -7.230 -2.721 1.00 0.47 H new ATOM 0 HG21 VAL A 44 3.615 -7.782 -5.630 1.00 0.62 H new ATOM 0 HG22 VAL A 44 2.352 -7.472 -4.415 1.00 0.62 H new ATOM 0 HG23 VAL A 44 2.416 -6.495 -5.901 1.00 0.62 H new ATOM 651 N VAL A 45 0.795 -5.257 -3.183 1.00 0.65 N ATOM 652 CA VAL A 45 -0.337 -5.883 -2.481 1.00 0.69 C ATOM 653 C VAL A 45 -1.417 -6.230 -3.497 1.00 0.71 C ATOM 654 O VAL A 45 -1.774 -5.397 -4.332 1.00 0.84 O ATOM 655 CB VAL A 45 -0.953 -5.002 -1.357 1.00 0.89 C ATOM 656 CG1 VAL A 45 -1.833 -5.793 -0.387 1.00 1.20 C ATOM 657 CG2 VAL A 45 0.084 -4.238 -0.508 1.00 1.17 C ATOM 0 H VAL A 45 0.520 -4.674 -3.974 1.00 0.65 H new ATOM 0 HA VAL A 45 0.055 -6.774 -1.990 1.00 0.69 H new ATOM 0 HB VAL A 45 -1.553 -4.286 -1.919 1.00 0.89 H new ATOM 0 HG11 VAL A 45 -2.232 -5.121 0.373 1.00 1.20 H new ATOM 0 HG12 VAL A 45 -2.656 -6.252 -0.934 1.00 1.20 H new ATOM 0 HG13 VAL A 45 -1.238 -6.570 0.093 1.00 1.20 H new ATOM 0 HG21 VAL A 45 -0.430 -3.649 0.251 1.00 1.17 H new ATOM 0 HG22 VAL A 45 0.753 -4.949 -0.024 1.00 1.17 H new ATOM 0 HG23 VAL A 45 0.663 -3.575 -1.151 1.00 1.17 H new ATOM 667 N SER A 46 -1.991 -7.430 -3.405 1.00 0.65 N ATOM 668 CA SER A 46 -3.303 -7.696 -4.006 1.00 0.71 C ATOM 669 C SER A 46 -4.366 -7.876 -2.921 1.00 0.68 C ATOM 670 O SER A 46 -4.112 -8.468 -1.872 1.00 0.68 O ATOM 671 CB SER A 46 -3.267 -8.805 -5.063 1.00 0.89 C ATOM 672 OG SER A 46 -4.539 -9.352 -5.333 1.00 1.61 O ATOM 0 H SER A 46 -1.575 -8.228 -2.925 1.00 0.65 H new ATOM 0 HA SER A 46 -3.600 -6.817 -4.578 1.00 0.71 H new ATOM 0 HB2 SER A 46 -2.846 -8.406 -5.986 1.00 0.89 H new ATOM 0 HB3 SER A 46 -2.601 -9.599 -4.726 1.00 0.89 H new ATOM 0 HG SER A 46 -4.955 -8.863 -6.074 1.00 1.61 H new ATOM 678 N TYR A 47 -5.522 -7.252 -3.161 1.00 0.89 N ATOM 679 CA TYR A 47 -6.581 -6.977 -2.192 1.00 1.04 C ATOM 680 C TYR A 47 -7.925 -6.673 -2.873 1.00 1.07 C ATOM 681 O TYR A 47 -8.741 -5.894 -2.386 1.00 1.55 O ATOM 682 CB TYR A 47 -6.131 -5.941 -1.141 1.00 1.30 C ATOM 683 CG TYR A 47 -5.605 -4.592 -1.612 1.00 1.37 C ATOM 684 CD1 TYR A 47 -4.392 -4.521 -2.321 1.00 1.67 C ATOM 685 CD2 TYR A 47 -6.220 -3.391 -1.201 1.00 2.23 C ATOM 686 CE1 TYR A 47 -3.802 -3.291 -2.627 1.00 1.74 C ATOM 687 CE2 TYR A 47 -5.592 -2.149 -1.434 1.00 2.45 C ATOM 688 CZ TYR A 47 -4.369 -2.105 -2.144 1.00 1.80 C ATOM 689 OH TYR A 47 -3.672 -0.966 -2.361 1.00 2.06 O ATOM 0 H TYR A 47 -5.755 -6.906 -4.092 1.00 0.89 H new ATOM 0 HA TYR A 47 -6.771 -7.888 -1.624 1.00 1.04 H new ATOM 0 HB2 TYR A 47 -6.978 -5.752 -0.482 1.00 1.30 H new ATOM 0 HB3 TYR A 47 -5.353 -6.404 -0.535 1.00 1.30 H new ATOM 0 HD1 TYR A 47 -3.907 -5.434 -2.635 1.00 1.67 H new ATOM 0 HD2 TYR A 47 -7.179 -3.422 -0.704 1.00 2.23 H new ATOM 0 HE1 TYR A 47 -2.910 -3.255 -3.235 1.00 1.74 H new ATOM 0 HE2 TYR A 47 -6.043 -1.237 -1.072 1.00 2.45 H new ATOM 0 HH TYR A 47 -3.153 -1.052 -3.188 1.00 2.06 H new ATOM 699 N HIS A 48 -8.134 -7.280 -4.046 1.00 0.82 N ATOM 700 CA HIS A 48 -9.154 -6.901 -5.026 1.00 0.84 C ATOM 701 C HIS A 48 -9.701 -8.128 -5.775 1.00 1.11 C ATOM 702 O HIS A 48 -8.947 -8.835 -6.454 1.00 1.50 O ATOM 703 CB HIS A 48 -8.517 -5.939 -6.034 1.00 1.12 C ATOM 704 CG HIS A 48 -7.818 -4.771 -5.410 1.00 1.40 C ATOM 705 ND1 HIS A 48 -8.447 -3.629 -4.919 1.00 1.64 N ATOM 706 CD2 HIS A 48 -6.487 -4.723 -5.127 1.00 1.76 C ATOM 707 CE1 HIS A 48 -7.474 -2.914 -4.338 1.00 2.15 C ATOM 708 NE2 HIS A 48 -6.290 -3.530 -4.472 1.00 2.20 N ATOM 0 H HIS A 48 -7.576 -8.078 -4.349 1.00 0.82 H new ATOM 0 HA HIS A 48 -9.986 -6.430 -4.503 1.00 0.84 H new ATOM 0 HB2 HIS A 48 -7.803 -6.491 -6.645 1.00 1.12 H new ATOM 0 HB3 HIS A 48 -9.292 -5.568 -6.705 1.00 1.12 H new ATOM 0 HD2 HIS A 48 -5.742 -5.467 -5.367 1.00 1.76 H new ATOM 0 HE1 HIS A 48 -7.623 -1.972 -3.832 1.00 2.15 H new ATOM 0 HE2 HIS A 48 -5.393 -3.173 -4.143 1.00 2.20 H new ATOM 716 N GLY A 49 -11.013 -8.361 -5.662 1.00 1.42 N ATOM 717 CA GLY A 49 -11.744 -9.402 -6.394 1.00 2.00 C ATOM 718 C GLY A 49 -12.499 -8.802 -7.579 1.00 2.25 C ATOM 719 O GLY A 49 -11.904 -8.512 -8.610 1.00 3.26 O ATOM 0 H GLY A 49 -11.612 -7.816 -5.042 1.00 1.42 H new ATOM 0 HA2 GLY A 49 -11.047 -10.162 -6.748 1.00 2.00 H new ATOM 0 HA3 GLY A 49 -12.445 -9.900 -5.724 1.00 2.00 H new ATOM 723 N GLU A 50 -13.804 -8.620 -7.389 1.00 2.15 N ATOM 724 CA GLU A 50 -14.799 -8.142 -8.357 1.00 2.54 C ATOM 725 C GLU A 50 -14.555 -6.714 -8.888 1.00 2.61 C ATOM 726 O GLU A 50 -15.062 -6.352 -9.949 1.00 3.39 O ATOM 727 CB GLU A 50 -16.136 -8.233 -7.606 1.00 2.90 C ATOM 728 CG GLU A 50 -17.404 -7.989 -8.421 1.00 4.11 C ATOM 729 CD GLU A 50 -18.602 -8.330 -7.538 1.00 4.76 C ATOM 730 OE1 GLU A 50 -18.864 -7.532 -6.609 1.00 4.92 O ATOM 731 OE2 GLU A 50 -19.176 -9.420 -7.745 1.00 5.80 O ATOM 0 H GLU A 50 -14.231 -8.818 -6.484 1.00 2.15 H new ATOM 0 HA GLU A 50 -14.760 -8.750 -9.261 1.00 2.54 H new ATOM 0 HB2 GLU A 50 -16.206 -9.224 -7.158 1.00 2.90 H new ATOM 0 HB3 GLU A 50 -16.115 -7.513 -6.788 1.00 2.90 H new ATOM 0 HG2 GLU A 50 -17.454 -6.950 -8.747 1.00 4.11 H new ATOM 0 HG3 GLU A 50 -17.405 -8.606 -9.320 1.00 4.11 H new ATOM 738 N THR A 51 -13.780 -5.891 -8.166 1.00 2.50 N ATOM 739 CA THR A 51 -13.521 -4.465 -8.437 1.00 2.73 C ATOM 740 C THR A 51 -12.372 -3.981 -7.555 1.00 2.53 C ATOM 741 O THR A 51 -12.108 -4.568 -6.502 1.00 3.03 O ATOM 742 CB THR A 51 -14.820 -3.656 -8.246 1.00 3.07 C ATOM 743 OG1 THR A 51 -15.530 -3.761 -9.452 1.00 3.92 O ATOM 744 CG2 THR A 51 -14.673 -2.155 -7.982 1.00 4.07 C ATOM 0 H THR A 51 -13.290 -6.217 -7.333 1.00 2.50 H new ATOM 0 HA THR A 51 -13.211 -4.318 -9.471 1.00 2.73 H new ATOM 0 HB THR A 51 -15.294 -4.073 -7.358 1.00 3.07 H new ATOM 0 HG1 THR A 51 -15.298 -4.603 -9.896 1.00 3.92 H new ATOM 0 HG21 THR A 51 -15.660 -1.707 -7.867 1.00 4.07 H new ATOM 0 HG22 THR A 51 -14.096 -2.001 -7.070 1.00 4.07 H new ATOM 0 HG23 THR A 51 -14.158 -1.687 -8.821 1.00 4.07 H new ATOM 752 N THR A 52 -11.695 -2.906 -7.982 1.00 2.72 N ATOM 753 CA THR A 52 -10.669 -2.201 -7.207 1.00 2.65 C ATOM 754 C THR A 52 -11.192 -0.793 -6.852 1.00 1.56 C ATOM 755 O THR A 52 -11.473 -0.015 -7.763 1.00 2.21 O ATOM 756 CB THR A 52 -9.330 -2.228 -7.954 1.00 4.08 C ATOM 757 OG1 THR A 52 -8.344 -1.758 -7.079 1.00 4.99 O ATOM 758 CG2 THR A 52 -9.239 -1.435 -9.258 1.00 5.03 C ATOM 0 H THR A 52 -11.852 -2.493 -8.901 1.00 2.72 H new ATOM 0 HA THR A 52 -10.469 -2.700 -6.259 1.00 2.65 H new ATOM 0 HB THR A 52 -9.200 -3.265 -8.263 1.00 4.08 H new ATOM 0 HG1 THR A 52 -7.510 -1.615 -7.573 1.00 4.99 H new ATOM 0 HG21 THR A 52 -8.239 -1.541 -9.680 1.00 5.03 H new ATOM 0 HG22 THR A 52 -9.974 -1.815 -9.967 1.00 5.03 H new ATOM 0 HG23 THR A 52 -9.438 -0.382 -9.058 1.00 5.03 H new ATOM 766 N PRO A 53 -11.451 -0.485 -5.562 1.00 1.30 N ATOM 767 CA PRO A 53 -11.973 0.812 -5.118 1.00 1.95 C ATOM 768 C PRO A 53 -10.838 1.763 -4.697 1.00 1.59 C ATOM 769 O PRO A 53 -9.670 1.382 -4.709 1.00 1.47 O ATOM 770 CB PRO A 53 -12.902 0.463 -3.950 1.00 3.33 C ATOM 771 CG PRO A 53 -12.180 -0.712 -3.297 1.00 3.47 C ATOM 772 CD PRO A 53 -11.532 -1.447 -4.468 1.00 2.42 C ATOM 0 HA PRO A 53 -12.499 1.346 -5.910 1.00 1.95 H new ATOM 0 HB2 PRO A 53 -13.021 1.300 -3.262 1.00 3.33 H new ATOM 0 HB3 PRO A 53 -13.899 0.187 -4.293 1.00 3.33 H new ATOM 0 HG2 PRO A 53 -11.435 -0.372 -2.578 1.00 3.47 H new ATOM 0 HG3 PRO A 53 -12.874 -1.356 -2.757 1.00 3.47 H new ATOM 0 HD2 PRO A 53 -10.541 -1.812 -4.197 1.00 2.42 H new ATOM 0 HD3 PRO A 53 -12.124 -2.316 -4.757 1.00 2.42 H new ATOM 780 N GLN A 54 -11.156 2.990 -4.260 1.00 1.74 N ATOM 781 CA GLN A 54 -10.146 3.990 -3.870 1.00 1.68 C ATOM 782 C GLN A 54 -9.297 3.564 -2.668 1.00 1.28 C ATOM 783 O GLN A 54 -8.207 4.100 -2.477 1.00 1.26 O ATOM 784 CB GLN A 54 -10.802 5.360 -3.630 1.00 2.33 C ATOM 785 CG GLN A 54 -11.079 5.700 -2.152 1.00 3.89 C ATOM 786 CD GLN A 54 -12.027 4.747 -1.423 1.00 5.47 C ATOM 787 OE1 GLN A 54 -12.783 3.990 -2.023 1.00 5.79 O ATOM 788 NE2 GLN A 54 -11.990 4.720 -0.110 1.00 7.13 N ATOM 0 H GLN A 54 -12.117 3.319 -4.166 1.00 1.74 H new ATOM 0 HA GLN A 54 -9.454 4.071 -4.708 1.00 1.68 H new ATOM 0 HB2 GLN A 54 -10.158 6.133 -4.050 1.00 2.33 H new ATOM 0 HB3 GLN A 54 -11.743 5.396 -4.178 1.00 2.33 H new ATOM 0 HG2 GLN A 54 -10.129 5.719 -1.618 1.00 3.89 H new ATOM 0 HG3 GLN A 54 -11.494 6.707 -2.101 1.00 3.89 H new ATOM 0 HE21 GLN A 54 -11.364 5.347 0.396 1.00 7.13 H new ATOM 0 HE22 GLN A 54 -12.587 4.072 0.404 1.00 7.13 H new ATOM 797 N ILE A 55 -9.766 2.572 -1.895 1.00 1.18 N ATOM 798 CA ILE A 55 -9.035 1.887 -0.815 1.00 1.12 C ATOM 799 C ILE A 55 -7.640 1.439 -1.281 1.00 0.90 C ATOM 800 O ILE A 55 -6.736 1.239 -0.468 1.00 1.11 O ATOM 801 CB ILE A 55 -9.884 0.715 -0.266 1.00 1.33 C ATOM 802 CG1 ILE A 55 -11.284 1.204 0.194 1.00 1.62 C ATOM 803 CG2 ILE A 55 -9.165 -0.019 0.885 1.00 1.61 C ATOM 804 CD1 ILE A 55 -12.239 0.093 0.649 1.00 2.77 C ATOM 0 H ILE A 55 -10.711 2.207 -2.011 1.00 1.18 H new ATOM 0 HA ILE A 55 -8.870 2.588 0.003 1.00 1.12 H new ATOM 0 HB ILE A 55 -10.018 0.006 -1.083 1.00 1.33 H new ATOM 0 HG12 ILE A 55 -11.155 1.910 1.014 1.00 1.62 H new ATOM 0 HG13 ILE A 55 -11.750 1.750 -0.626 1.00 1.62 H new ATOM 0 HG21 ILE A 55 -9.792 -0.835 1.244 1.00 1.61 H new ATOM 0 HG22 ILE A 55 -8.218 -0.421 0.525 1.00 1.61 H new ATOM 0 HG23 ILE A 55 -8.976 0.679 1.700 1.00 1.61 H new ATOM 0 HD11 ILE A 55 -13.190 0.532 0.951 1.00 2.77 H new ATOM 0 HD12 ILE A 55 -12.405 -0.603 -0.173 1.00 2.77 H new ATOM 0 HD13 ILE A 55 -11.801 -0.440 1.493 1.00 2.77 H new ATOM 816 N LEU A 56 -7.445 1.344 -2.601 1.00 0.86 N ATOM 817 CA LEU A 56 -6.155 1.030 -3.197 1.00 0.97 C ATOM 818 C LEU A 56 -5.079 2.094 -2.916 1.00 0.81 C ATOM 819 O LEU A 56 -3.908 1.730 -2.826 1.00 1.01 O ATOM 820 CB LEU A 56 -6.332 0.598 -4.668 1.00 1.29 C ATOM 821 CG LEU A 56 -6.405 1.725 -5.725 1.00 1.34 C ATOM 822 CD1 LEU A 56 -5.010 2.181 -6.191 1.00 1.44 C ATOM 823 CD2 LEU A 56 -7.156 1.257 -6.981 1.00 1.75 C ATOM 0 H LEU A 56 -8.188 1.485 -3.285 1.00 0.86 H new ATOM 0 HA LEU A 56 -5.735 0.158 -2.695 1.00 0.97 H new ATOM 0 HB2 LEU A 56 -5.503 -0.060 -4.930 1.00 1.29 H new ATOM 0 HB3 LEU A 56 -7.244 0.006 -4.740 1.00 1.29 H new ATOM 0 HG LEU A 56 -6.924 2.549 -5.236 1.00 1.34 H new ATOM 0 HD11 LEU A 56 -5.115 2.973 -6.932 1.00 1.44 H new ATOM 0 HD12 LEU A 56 -4.446 2.556 -5.337 1.00 1.44 H new ATOM 0 HD13 LEU A 56 -4.481 1.337 -6.634 1.00 1.44 H new ATOM 0 HD21 LEU A 56 -7.192 2.069 -7.707 1.00 1.75 H new ATOM 0 HD22 LEU A 56 -6.638 0.403 -7.417 1.00 1.75 H new ATOM 0 HD23 LEU A 56 -8.171 0.966 -6.711 1.00 1.75 H new ATOM 835 N THR A 57 -5.438 3.372 -2.728 1.00 0.76 N ATOM 836 CA THR A 57 -4.507 4.409 -2.238 1.00 0.93 C ATOM 837 C THR A 57 -4.876 4.883 -0.836 1.00 0.86 C ATOM 838 O THR A 57 -3.963 5.200 -0.085 1.00 0.91 O ATOM 839 CB THR A 57 -4.383 5.586 -3.218 1.00 1.32 C ATOM 840 OG1 THR A 57 -4.230 5.065 -4.517 1.00 1.63 O ATOM 841 CG2 THR A 57 -3.129 6.423 -2.957 1.00 2.45 C ATOM 0 H THR A 57 -6.380 3.720 -2.910 1.00 0.76 H new ATOM 0 HA THR A 57 -3.523 3.943 -2.176 1.00 0.93 H new ATOM 0 HB THR A 57 -5.273 6.204 -3.098 1.00 1.32 H new ATOM 0 HG1 THR A 57 -4.151 5.802 -5.158 1.00 1.63 H new ATOM 0 HG21 THR A 57 -3.083 7.243 -3.673 1.00 2.45 H new ATOM 0 HG22 THR A 57 -3.165 6.827 -1.945 1.00 2.45 H new ATOM 0 HG23 THR A 57 -2.244 5.796 -3.066 1.00 2.45 H new ATOM 849 N ASP A 58 -6.148 4.860 -0.434 1.00 0.84 N ATOM 850 CA ASP A 58 -6.666 5.359 0.861 1.00 0.87 C ATOM 851 C ASP A 58 -5.758 5.044 2.070 1.00 0.82 C ATOM 852 O ASP A 58 -5.341 5.940 2.807 1.00 0.77 O ATOM 853 CB ASP A 58 -8.048 4.721 1.052 1.00 1.04 C ATOM 854 CG ASP A 58 -8.976 5.419 2.041 1.00 1.40 C ATOM 855 OD1 ASP A 58 -8.702 5.341 3.259 1.00 2.12 O ATOM 856 OD2 ASP A 58 -10.018 5.918 1.554 1.00 2.31 O ATOM 0 H ASP A 58 -6.887 4.477 -1.023 1.00 0.84 H new ATOM 0 HA ASP A 58 -6.708 6.448 0.823 1.00 0.87 H new ATOM 0 HB2 ASP A 58 -8.545 4.682 0.083 1.00 1.04 H new ATOM 0 HB3 ASP A 58 -7.908 3.691 1.380 1.00 1.04 H new ATOM 861 N ALA A 59 -5.340 3.780 2.220 1.00 0.94 N ATOM 862 CA ALA A 59 -4.496 3.368 3.339 1.00 1.06 C ATOM 863 C ALA A 59 -3.074 3.965 3.342 1.00 1.13 C ATOM 864 O ALA A 59 -2.454 4.008 4.411 1.00 1.44 O ATOM 865 CB ALA A 59 -4.489 1.834 3.390 1.00 1.24 C ATOM 0 H ALA A 59 -5.576 3.026 1.575 1.00 0.94 H new ATOM 0 HA ALA A 59 -4.931 3.780 4.250 1.00 1.06 H new ATOM 0 HB1 ALA A 59 -3.864 1.500 4.219 1.00 1.24 H new ATOM 0 HB2 ALA A 59 -5.506 1.470 3.533 1.00 1.24 H new ATOM 0 HB3 ALA A 59 -4.091 1.441 2.455 1.00 1.24 H new ATOM 871 N VAL A 60 -2.604 4.440 2.183 1.00 0.93 N ATOM 872 CA VAL A 60 -1.372 5.223 1.963 1.00 0.78 C ATOM 873 C VAL A 60 -1.624 6.717 2.243 1.00 0.67 C ATOM 874 O VAL A 60 -0.779 7.357 2.862 1.00 0.76 O ATOM 875 CB VAL A 60 -0.817 5.072 0.513 1.00 0.78 C ATOM 876 CG1 VAL A 60 0.653 5.506 0.426 1.00 1.86 C ATOM 877 CG2 VAL A 60 -0.936 3.642 -0.052 1.00 1.90 C ATOM 0 H VAL A 60 -3.106 4.279 1.310 1.00 0.93 H new ATOM 0 HA VAL A 60 -0.629 4.827 2.655 1.00 0.78 H new ATOM 0 HB VAL A 60 -1.444 5.727 -0.092 1.00 0.78 H new ATOM 0 HG11 VAL A 60 1.007 5.388 -0.598 1.00 1.86 H new ATOM 0 HG12 VAL A 60 0.742 6.551 0.722 1.00 1.86 H new ATOM 0 HG13 VAL A 60 1.255 4.888 1.092 1.00 1.86 H new ATOM 0 HG21 VAL A 60 -0.530 3.615 -1.063 1.00 1.90 H new ATOM 0 HG22 VAL A 60 -0.378 2.953 0.582 1.00 1.90 H new ATOM 0 HG23 VAL A 60 -1.985 3.346 -0.074 1.00 1.90 H new ATOM 887 N GLU A 61 -2.795 7.253 1.862 1.00 0.61 N ATOM 888 CA GLU A 61 -3.183 8.661 2.098 1.00 0.66 C ATOM 889 C GLU A 61 -3.186 8.948 3.608 1.00 0.73 C ATOM 890 O GLU A 61 -2.557 9.894 4.082 1.00 0.85 O ATOM 891 CB GLU A 61 -4.586 8.970 1.529 1.00 0.80 C ATOM 892 CG GLU A 61 -4.775 8.773 0.016 1.00 1.56 C ATOM 893 CD GLU A 61 -4.048 9.820 -0.824 1.00 1.40 C ATOM 894 OE1 GLU A 61 -4.191 11.033 -0.546 1.00 2.11 O ATOM 895 OE2 GLU A 61 -3.304 9.431 -1.751 1.00 2.32 O ATOM 0 H GLU A 61 -3.512 6.716 1.374 1.00 0.61 H new ATOM 0 HA GLU A 61 -2.457 9.294 1.588 1.00 0.66 H new ATOM 0 HB2 GLU A 61 -5.310 8.341 2.047 1.00 0.80 H new ATOM 0 HB3 GLU A 61 -4.831 10.004 1.771 1.00 0.80 H new ATOM 0 HG2 GLU A 61 -4.417 7.782 -0.262 1.00 1.56 H new ATOM 0 HG3 GLU A 61 -5.839 8.805 -0.218 1.00 1.56 H new ATOM 902 N ARG A 62 -3.793 8.031 4.374 1.00 0.82 N ATOM 903 CA ARG A 62 -3.759 7.943 5.839 1.00 0.98 C ATOM 904 C ARG A 62 -2.368 8.163 6.445 1.00 0.97 C ATOM 905 O ARG A 62 -2.264 8.659 7.564 1.00 1.35 O ATOM 906 CB ARG A 62 -4.315 6.553 6.213 1.00 1.08 C ATOM 907 CG ARG A 62 -4.072 6.039 7.647 1.00 2.21 C ATOM 908 CD ARG A 62 -2.630 5.566 7.939 1.00 1.76 C ATOM 909 NE ARG A 62 -2.623 4.425 8.864 1.00 1.42 N ATOM 910 CZ ARG A 62 -2.336 3.176 8.530 1.00 1.52 C ATOM 911 NH1 ARG A 62 -2.066 2.802 7.293 1.00 3.11 N ATOM 912 NH2 ARG A 62 -2.316 2.248 9.458 1.00 2.24 N ATOM 0 H ARG A 62 -4.355 7.286 3.962 1.00 0.82 H new ATOM 0 HA ARG A 62 -4.364 8.748 6.255 1.00 0.98 H new ATOM 0 HB2 ARG A 62 -5.391 6.566 6.041 1.00 1.08 H new ATOM 0 HB3 ARG A 62 -3.890 5.826 5.521 1.00 1.08 H new ATOM 0 HG2 ARG A 62 -4.326 6.833 8.349 1.00 2.21 H new ATOM 0 HG3 ARG A 62 -4.755 5.212 7.840 1.00 2.21 H new ATOM 0 HD2 ARG A 62 -2.141 5.285 7.006 1.00 1.76 H new ATOM 0 HD3 ARG A 62 -2.054 6.387 8.366 1.00 1.76 H new ATOM 0 HE ARG A 62 -2.857 4.609 9.840 1.00 1.42 H new ATOM 0 HH11 ARG A 62 -2.072 3.489 6.540 1.00 3.11 H new ATOM 0 HH12 ARG A 62 -1.851 1.826 7.091 1.00 3.11 H new ATOM 0 HH21 ARG A 62 -2.521 2.491 10.427 1.00 2.24 H new ATOM 0 HH22 ARG A 62 -2.096 1.283 9.210 1.00 2.24 H new ATOM 926 N ALA A 63 -1.298 7.709 5.787 1.00 0.69 N ATOM 927 CA ALA A 63 0.069 7.814 6.318 1.00 0.75 C ATOM 928 C ALA A 63 0.683 9.223 6.153 1.00 0.86 C ATOM 929 O ALA A 63 1.792 9.456 6.629 1.00 0.97 O ATOM 930 CB ALA A 63 0.918 6.718 5.650 1.00 0.77 C ATOM 0 H ALA A 63 -1.352 7.259 4.873 1.00 0.69 H new ATOM 0 HA ALA A 63 0.046 7.661 7.397 1.00 0.75 H new ATOM 0 HB1 ALA A 63 1.940 6.771 6.025 1.00 0.77 H new ATOM 0 HB2 ALA A 63 0.497 5.740 5.881 1.00 0.77 H new ATOM 0 HB3 ALA A 63 0.919 6.866 4.570 1.00 0.77 H new ATOM 936 N GLY A 64 -0.011 10.126 5.443 1.00 0.89 N ATOM 937 CA GLY A 64 0.529 11.359 4.863 1.00 0.97 C ATOM 938 C GLY A 64 1.089 11.107 3.460 1.00 0.96 C ATOM 939 O GLY A 64 1.533 12.033 2.779 1.00 1.14 O ATOM 0 H GLY A 64 -1.006 10.009 5.251 1.00 0.89 H new ATOM 0 HA2 GLY A 64 -0.254 12.116 4.815 1.00 0.97 H new ATOM 0 HA3 GLY A 64 1.315 11.754 5.507 1.00 0.97 H new ATOM 943 N TYR A 65 1.120 9.838 3.038 1.00 0.85 N ATOM 944 CA TYR A 65 1.924 9.329 1.931 1.00 0.83 C ATOM 945 C TYR A 65 1.076 9.121 0.659 1.00 0.82 C ATOM 946 O TYR A 65 -0.138 9.315 0.660 1.00 1.08 O ATOM 947 CB TYR A 65 2.681 8.065 2.399 1.00 0.88 C ATOM 948 CG TYR A 65 3.648 8.204 3.581 1.00 0.95 C ATOM 949 CD1 TYR A 65 3.946 9.456 4.164 1.00 2.10 C ATOM 950 CD2 TYR A 65 4.263 7.048 4.114 1.00 1.72 C ATOM 951 CE1 TYR A 65 4.764 9.549 5.301 1.00 2.23 C ATOM 952 CE2 TYR A 65 5.151 7.142 5.208 1.00 1.81 C ATOM 953 CZ TYR A 65 5.382 8.397 5.821 1.00 1.31 C ATOM 954 OH TYR A 65 6.212 8.528 6.891 1.00 1.55 O ATOM 0 H TYR A 65 0.560 9.110 3.481 1.00 0.85 H new ATOM 0 HA TYR A 65 2.671 10.068 1.641 1.00 0.83 H new ATOM 0 HB2 TYR A 65 1.940 7.309 2.660 1.00 0.88 H new ATOM 0 HB3 TYR A 65 3.245 7.679 1.550 1.00 0.88 H new ATOM 0 HD1 TYR A 65 3.538 10.356 3.728 1.00 2.10 H new ATOM 0 HD2 TYR A 65 4.051 6.082 3.680 1.00 1.72 H new ATOM 0 HE1 TYR A 65 4.919 10.506 5.777 1.00 2.23 H new ATOM 0 HE2 TYR A 65 5.652 6.259 5.576 1.00 1.81 H new ATOM 0 HH TYR A 65 6.951 7.889 6.812 1.00 1.55 H new ATOM 964 N HIS A 66 1.739 8.818 -0.462 1.00 0.69 N ATOM 965 CA HIS A 66 1.179 8.887 -1.818 1.00 0.64 C ATOM 966 C HIS A 66 1.827 7.828 -2.717 1.00 0.61 C ATOM 967 O HIS A 66 2.844 7.245 -2.359 1.00 0.74 O ATOM 968 CB HIS A 66 1.382 10.327 -2.348 1.00 0.82 C ATOM 969 CG HIS A 66 0.331 11.260 -1.790 1.00 0.98 C ATOM 970 ND1 HIS A 66 0.412 11.997 -0.613 1.00 2.32 N ATOM 971 CD2 HIS A 66 -0.987 11.216 -2.149 1.00 1.46 C ATOM 972 CE1 HIS A 66 -0.840 12.332 -0.247 1.00 2.27 C ATOM 973 NE2 HIS A 66 -1.701 11.887 -1.179 1.00 1.46 N ATOM 0 H HIS A 66 2.711 8.508 -0.451 1.00 0.69 H new ATOM 0 HA HIS A 66 0.111 8.667 -1.812 1.00 0.64 H new ATOM 0 HB2 HIS A 66 2.374 10.684 -2.072 1.00 0.82 H new ATOM 0 HB3 HIS A 66 1.334 10.328 -3.437 1.00 0.82 H new ATOM 0 HD2 HIS A 66 -1.394 10.743 -3.030 1.00 1.46 H new ATOM 0 HE1 HIS A 66 -1.109 12.871 0.650 1.00 2.27 H new ATOM 0 HE2 HIS A 66 -2.712 12.023 -1.170 1.00 1.46 H new ATOM 982 N ALA A 67 1.270 7.576 -3.904 1.00 0.68 N ATOM 983 CA ALA A 67 1.823 6.601 -4.854 1.00 0.84 C ATOM 984 C ALA A 67 2.691 7.253 -5.953 1.00 0.99 C ATOM 985 O ALA A 67 2.452 8.391 -6.352 1.00 1.44 O ATOM 986 CB ALA A 67 0.646 5.837 -5.466 1.00 0.97 C ATOM 0 H ALA A 67 0.424 8.040 -4.236 1.00 0.68 H new ATOM 0 HA ALA A 67 2.493 5.927 -4.320 1.00 0.84 H new ATOM 0 HB1 ALA A 67 1.020 5.102 -6.179 1.00 0.97 H new ATOM 0 HB2 ALA A 67 0.093 5.328 -4.677 1.00 0.97 H new ATOM 0 HB3 ALA A 67 -0.014 6.536 -5.979 1.00 0.97 H new ATOM 992 N ARG A 68 3.663 6.496 -6.479 1.00 0.76 N ATOM 993 CA ARG A 68 4.497 6.848 -7.640 1.00 0.83 C ATOM 994 C ARG A 68 4.816 5.595 -8.464 1.00 0.78 C ATOM 995 O ARG A 68 5.215 4.563 -7.935 1.00 0.79 O ATOM 996 CB ARG A 68 5.777 7.600 -7.204 1.00 1.10 C ATOM 997 CG ARG A 68 6.552 6.942 -6.048 1.00 1.36 C ATOM 998 CD ARG A 68 7.824 7.698 -5.625 1.00 2.39 C ATOM 999 NE ARG A 68 9.043 7.104 -6.201 1.00 2.76 N ATOM 1000 CZ ARG A 68 10.278 7.327 -5.768 1.00 3.56 C ATOM 1001 NH1 ARG A 68 10.573 8.243 -4.871 1.00 3.87 N ATOM 1002 NH2 ARG A 68 11.255 6.591 -6.242 1.00 4.65 N ATOM 0 H ARG A 68 3.901 5.583 -6.092 1.00 0.76 H new ATOM 0 HA ARG A 68 3.936 7.531 -8.278 1.00 0.83 H new ATOM 0 HB2 ARG A 68 6.441 7.687 -8.064 1.00 1.10 H new ATOM 0 HB3 ARG A 68 5.503 8.613 -6.909 1.00 1.10 H new ATOM 0 HG2 ARG A 68 5.891 6.856 -5.186 1.00 1.36 H new ATOM 0 HG3 ARG A 68 6.827 5.929 -6.341 1.00 1.36 H new ATOM 0 HD2 ARG A 68 7.747 8.739 -5.938 1.00 2.39 H new ATOM 0 HD3 ARG A 68 7.900 7.697 -4.538 1.00 2.39 H new ATOM 0 HE ARG A 68 8.929 6.472 -6.994 1.00 2.76 H new ATOM 0 HH11 ARG A 68 9.835 8.824 -4.473 1.00 3.87 H new ATOM 0 HH12 ARG A 68 11.540 8.373 -4.573 1.00 3.87 H new ATOM 0 HH21 ARG A 68 11.058 5.864 -6.930 1.00 4.65 H new ATOM 0 HH22 ARG A 68 12.211 6.746 -5.923 1.00 4.65 H new ATOM 1016 N VAL A 69 4.651 5.647 -9.784 1.00 0.97 N ATOM 1017 CA VAL A 69 4.828 4.480 -10.645 1.00 1.05 C ATOM 1018 C VAL A 69 6.308 4.209 -10.899 1.00 1.21 C ATOM 1019 O VAL A 69 7.023 5.070 -11.408 1.00 1.46 O ATOM 1020 CB VAL A 69 4.046 4.642 -11.965 1.00 1.43 C ATOM 1021 CG1 VAL A 69 2.567 4.291 -11.738 1.00 1.38 C ATOM 1022 CG2 VAL A 69 4.151 6.034 -12.619 1.00 2.52 C ATOM 0 H VAL A 69 4.392 6.496 -10.286 1.00 0.97 H new ATOM 0 HA VAL A 69 4.419 3.612 -10.128 1.00 1.05 H new ATOM 0 HB VAL A 69 4.515 3.952 -12.666 1.00 1.43 H new ATOM 0 HG11 VAL A 69 2.018 4.407 -12.673 1.00 1.38 H new ATOM 0 HG12 VAL A 69 2.486 3.260 -11.395 1.00 1.38 H new ATOM 0 HG13 VAL A 69 2.146 4.958 -10.985 1.00 1.38 H new ATOM 0 HG21 VAL A 69 3.568 6.048 -13.540 1.00 2.52 H new ATOM 0 HG22 VAL A 69 3.765 6.788 -11.933 1.00 2.52 H new ATOM 0 HG23 VAL A 69 5.195 6.251 -12.847 1.00 2.52 H new ATOM 1032 N LEU A 70 6.760 3.002 -10.540 1.00 1.31 N ATOM 1033 CA LEU A 70 8.137 2.583 -10.777 1.00 1.60 C ATOM 1034 C LEU A 70 8.240 2.150 -12.246 1.00 1.66 C ATOM 1035 O LEU A 70 7.690 1.134 -12.658 1.00 2.02 O ATOM 1036 CB LEU A 70 8.567 1.584 -9.680 1.00 1.67 C ATOM 1037 CG LEU A 70 8.320 0.071 -9.890 1.00 1.61 C ATOM 1038 CD1 LEU A 70 9.466 -0.594 -10.674 1.00 2.10 C ATOM 1039 CD2 LEU A 70 8.222 -0.644 -8.534 1.00 1.72 C ATOM 0 H LEU A 70 6.183 2.297 -10.081 1.00 1.31 H new ATOM 0 HA LEU A 70 8.877 3.376 -10.673 1.00 1.60 H new ATOM 0 HB2 LEU A 70 9.636 1.721 -9.514 1.00 1.67 H new ATOM 0 HB3 LEU A 70 8.062 1.873 -8.758 1.00 1.67 H new ATOM 0 HG LEU A 70 7.391 -0.018 -10.453 1.00 1.61 H new ATOM 0 HD11 LEU A 70 9.253 -1.656 -10.799 1.00 2.10 H new ATOM 0 HD12 LEU A 70 9.558 -0.124 -11.653 1.00 2.10 H new ATOM 0 HD13 LEU A 70 10.400 -0.474 -10.125 1.00 2.10 H new ATOM 0 HD21 LEU A 70 8.048 -1.708 -8.695 1.00 1.72 H new ATOM 0 HD22 LEU A 70 9.152 -0.508 -7.983 1.00 1.72 H new ATOM 0 HD23 LEU A 70 7.396 -0.224 -7.960 1.00 1.72 H new