USER MOD reduce.3.24.130724 H: found=0, std=0, add=527, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 528 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 Single : A 6 THR OG1 : rot -70:sc= 1.21 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 106:sc= 0.577 USER MOD Single : A 40 TYR OH : rot 30:sc= -0.353 USER MOD Single : A 42 SER OG : rot 180:sc=-0.00929 USER MOD Single : A 46 MET CE :methyl -159:sc= -0.519 (180deg=-0.719) USER MOD Single : A 48 THR OG1 : rot 62:sc= 0.621 USER MOD Single : A 54 SER OG : rot 2:sc= 0.0646 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 25:sc= 0.502 USER MOD Single : A 70 THR OG1 : rot 180:sc= -1.41 USER MOD Single : A 79 ASN : amide:sc= -2.44! C(o=-2.4!,f=-5.5!) USER MOD ----------------------------------------------------------------- ATOM 44 N LEU A 4 12.463 -6.147 -0.274 1.00 0.66 N ATOM 45 CA LEU A 4 11.295 -5.840 -1.067 1.00 0.56 C ATOM 46 C LEU A 4 10.055 -6.351 -0.387 1.00 0.50 C ATOM 47 O LEU A 4 10.120 -7.295 0.403 1.00 0.76 O ATOM 48 CB LEU A 4 11.417 -6.461 -2.458 1.00 0.65 C ATOM 49 CG LEU A 4 12.684 -6.116 -3.255 1.00 0.79 C ATOM 50 CD1 LEU A 4 12.711 -6.881 -4.561 1.00 0.96 C ATOM 51 CD2 LEU A 4 12.760 -4.621 -3.525 1.00 0.86 C ATOM 0 HA LEU A 4 11.223 -4.757 -1.170 1.00 0.56 H new ATOM 0 HB2 LEU A 4 11.365 -7.545 -2.353 1.00 0.65 H new ATOM 0 HB3 LEU A 4 10.551 -6.155 -3.045 1.00 0.65 H new ATOM 0 HG LEU A 4 13.550 -6.405 -2.659 1.00 0.79 H new ATOM 0 HD11 LEU A 4 13.615 -6.625 -5.114 1.00 0.96 H new ATOM 0 HD12 LEU A 4 12.702 -7.951 -4.356 1.00 0.96 H new ATOM 0 HD13 LEU A 4 11.836 -6.618 -5.155 1.00 0.96 H new ATOM 0 HD21 LEU A 4 13.665 -4.399 -4.091 1.00 0.86 H new ATOM 0 HD22 LEU A 4 11.888 -4.310 -4.100 1.00 0.86 H new ATOM 0 HD23 LEU A 4 12.782 -4.081 -2.578 1.00 0.86 H new ATOM 63 N LEU A 5 8.935 -5.743 -0.684 1.00 0.36 N ATOM 64 CA LEU A 5 7.689 -6.156 -0.101 1.00 0.36 C ATOM 65 C LEU A 5 6.928 -7.016 -1.053 1.00 0.39 C ATOM 66 O LEU A 5 6.952 -6.786 -2.270 1.00 0.52 O ATOM 67 CB LEU A 5 6.828 -4.971 0.323 1.00 0.42 C ATOM 68 CG LEU A 5 7.379 -4.114 1.443 1.00 0.51 C ATOM 69 CD1 LEU A 5 6.347 -3.094 1.869 1.00 0.61 C ATOM 70 CD2 LEU A 5 7.770 -4.981 2.612 1.00 0.54 C ATOM 0 H LEU A 5 8.863 -4.957 -1.330 1.00 0.36 H new ATOM 0 HA LEU A 5 7.932 -6.727 0.795 1.00 0.36 H new ATOM 0 HB2 LEU A 5 6.667 -4.335 -0.548 1.00 0.42 H new ATOM 0 HB3 LEU A 5 5.852 -5.348 0.628 1.00 0.42 H new ATOM 0 HG LEU A 5 8.265 -3.589 1.085 1.00 0.51 H new ATOM 0 HD11 LEU A 5 6.752 -2.482 2.675 1.00 0.61 H new ATOM 0 HD12 LEU A 5 6.094 -2.457 1.022 1.00 0.61 H new ATOM 0 HD13 LEU A 5 5.451 -3.607 2.218 1.00 0.61 H new ATOM 0 HD21 LEU A 5 8.165 -4.356 3.413 1.00 0.54 H new ATOM 0 HD22 LEU A 5 6.895 -5.522 2.972 1.00 0.54 H new ATOM 0 HD23 LEU A 5 8.533 -5.693 2.298 1.00 0.54 H new ATOM 82 N THR A 6 6.263 -7.987 -0.519 1.00 0.36 N ATOM 83 CA THR A 6 5.496 -8.887 -1.304 1.00 0.41 C ATOM 84 C THR A 6 4.010 -8.538 -1.232 1.00 0.30 C ATOM 85 O THR A 6 3.616 -7.565 -0.561 1.00 0.24 O ATOM 86 CB THR A 6 5.715 -10.355 -0.846 1.00 0.56 C ATOM 87 OG1 THR A 6 5.409 -10.486 0.568 1.00 0.59 O ATOM 88 CG2 THR A 6 7.152 -10.795 -1.095 1.00 0.79 C ATOM 0 H THR A 6 6.239 -8.177 0.483 1.00 0.36 H new ATOM 0 HA THR A 6 5.832 -8.792 -2.337 1.00 0.41 H new ATOM 0 HB THR A 6 5.048 -10.993 -1.426 1.00 0.56 H new ATOM 0 HG1 THR A 6 6.095 -10.026 1.095 1.00 0.59 H new ATOM 0 HG21 THR A 6 7.279 -11.826 -0.766 1.00 0.79 H new ATOM 0 HG22 THR A 6 7.375 -10.724 -2.160 1.00 0.79 H new ATOM 0 HG23 THR A 6 7.832 -10.150 -0.538 1.00 0.79 H new ATOM 96 N THR A 7 3.212 -9.338 -1.900 1.00 0.33 N ATOM 97 CA THR A 7 1.762 -9.253 -1.899 1.00 0.32 C ATOM 98 C THR A 7 1.236 -9.263 -0.438 1.00 0.24 C ATOM 99 O THR A 7 0.467 -8.385 -0.031 1.00 0.26 O ATOM 100 CB THR A 7 1.226 -10.475 -2.694 1.00 0.44 C ATOM 101 OG1 THR A 7 1.765 -10.446 -4.040 1.00 0.55 O ATOM 102 CG2 THR A 7 -0.288 -10.486 -2.760 1.00 0.55 C ATOM 0 H THR A 7 3.565 -10.097 -2.483 1.00 0.33 H new ATOM 0 HA THR A 7 1.421 -8.328 -2.364 1.00 0.32 H new ATOM 0 HB THR A 7 1.545 -11.378 -2.174 1.00 0.44 H new ATOM 0 HG1 THR A 7 1.430 -11.217 -4.543 1.00 0.55 H new ATOM 0 HG21 THR A 7 -0.621 -11.357 -3.325 1.00 0.55 H new ATOM 0 HG22 THR A 7 -0.696 -10.530 -1.750 1.00 0.55 H new ATOM 0 HG23 THR A 7 -0.637 -9.579 -3.253 1.00 0.55 H new ATOM 110 N ASP A 8 1.677 -10.247 0.337 1.00 0.28 N ATOM 111 CA ASP A 8 1.277 -10.385 1.743 1.00 0.31 C ATOM 112 C ASP A 8 1.668 -9.161 2.584 1.00 0.24 C ATOM 113 O ASP A 8 0.884 -8.706 3.426 1.00 0.28 O ATOM 114 CB ASP A 8 1.870 -11.651 2.348 1.00 0.46 C ATOM 115 CG ASP A 8 1.543 -11.800 3.812 1.00 0.94 C ATOM 116 OD1 ASP A 8 0.410 -12.181 4.136 1.00 1.01 O ATOM 117 OD2 ASP A 8 2.407 -11.505 4.665 1.00 1.61 O ATOM 0 H ASP A 8 2.319 -10.971 0.016 1.00 0.28 H new ATOM 0 HA ASP A 8 0.189 -10.456 1.758 1.00 0.31 H new ATOM 0 HB2 ASP A 8 1.495 -12.519 1.805 1.00 0.46 H new ATOM 0 HB3 ASP A 8 2.952 -11.638 2.220 1.00 0.46 H new ATOM 122 N ASP A 9 2.855 -8.605 2.325 1.00 0.24 N ATOM 123 CA ASP A 9 3.338 -7.414 3.068 1.00 0.28 C ATOM 124 C ASP A 9 2.459 -6.248 2.771 1.00 0.24 C ATOM 125 O ASP A 9 2.122 -5.460 3.664 1.00 0.30 O ATOM 126 CB ASP A 9 4.768 -7.014 2.681 1.00 0.38 C ATOM 127 CG ASP A 9 5.809 -8.027 3.040 1.00 1.05 C ATOM 128 OD1 ASP A 9 6.030 -8.247 4.252 1.00 1.12 O ATOM 129 OD2 ASP A 9 6.425 -8.617 2.136 1.00 1.78 O ATOM 0 H ASP A 9 3.502 -8.949 1.615 1.00 0.24 H new ATOM 0 HA ASP A 9 3.320 -7.681 4.125 1.00 0.28 H new ATOM 0 HB2 ASP A 9 4.805 -6.837 1.606 1.00 0.38 H new ATOM 0 HB3 ASP A 9 5.013 -6.070 3.168 1.00 0.38 H new ATOM 134 N LEU A 10 2.094 -6.144 1.515 1.00 0.19 N ATOM 135 CA LEU A 10 1.250 -5.093 1.035 1.00 0.23 C ATOM 136 C LEU A 10 -0.134 -5.218 1.675 1.00 0.24 C ATOM 137 O LEU A 10 -0.641 -4.258 2.236 1.00 0.30 O ATOM 138 CB LEU A 10 1.141 -5.179 -0.486 1.00 0.27 C ATOM 139 CG LEU A 10 0.414 -4.038 -1.184 1.00 0.38 C ATOM 140 CD1 LEU A 10 1.185 -2.734 -1.034 1.00 0.47 C ATOM 141 CD2 LEU A 10 0.193 -4.373 -2.643 1.00 0.47 C ATOM 0 H LEU A 10 2.384 -6.802 0.792 1.00 0.19 H new ATOM 0 HA LEU A 10 1.678 -4.127 1.303 1.00 0.23 H new ATOM 0 HB2 LEU A 10 2.149 -5.242 -0.897 1.00 0.27 H new ATOM 0 HB3 LEU A 10 0.635 -6.111 -0.739 1.00 0.27 H new ATOM 0 HG LEU A 10 -0.559 -3.905 -0.711 1.00 0.38 H new ATOM 0 HD11 LEU A 10 0.647 -1.933 -1.541 1.00 0.47 H new ATOM 0 HD12 LEU A 10 1.286 -2.491 0.024 1.00 0.47 H new ATOM 0 HD13 LEU A 10 2.175 -2.843 -1.478 1.00 0.47 H new ATOM 0 HD21 LEU A 10 -0.328 -3.549 -3.131 1.00 0.47 H new ATOM 0 HD22 LEU A 10 1.155 -4.533 -3.129 1.00 0.47 H new ATOM 0 HD23 LEU A 10 -0.408 -5.279 -2.721 1.00 0.47 H new ATOM 153 N ARG A 11 -0.711 -6.428 1.609 1.00 0.24 N ATOM 154 CA ARG A 11 -2.031 -6.727 2.197 1.00 0.30 C ATOM 155 C ARG A 11 -2.104 -6.252 3.639 1.00 0.33 C ATOM 156 O ARG A 11 -2.964 -5.444 3.996 1.00 0.38 O ATOM 157 CB ARG A 11 -2.348 -8.244 2.121 1.00 0.36 C ATOM 158 CG ARG A 11 -3.631 -8.653 2.859 1.00 0.51 C ATOM 159 CD ARG A 11 -3.966 -10.133 2.681 1.00 0.73 C ATOM 160 NE ARG A 11 -2.898 -11.045 3.153 1.00 0.97 N ATOM 161 CZ ARG A 11 -3.038 -12.387 3.264 1.00 1.30 C ATOM 162 NH1 ARG A 11 -4.225 -12.961 3.105 1.00 1.81 N ATOM 163 NH2 ARG A 11 -1.998 -13.145 3.574 1.00 1.98 N ATOM 0 H ARG A 11 -0.278 -7.228 1.147 1.00 0.24 H new ATOM 0 HA ARG A 11 -2.778 -6.189 1.614 1.00 0.30 H new ATOM 0 HB2 ARG A 11 -2.435 -8.534 1.074 1.00 0.36 H new ATOM 0 HB3 ARG A 11 -1.509 -8.801 2.537 1.00 0.36 H new ATOM 0 HG2 ARG A 11 -3.520 -8.435 3.921 1.00 0.51 H new ATOM 0 HG3 ARG A 11 -4.463 -8.050 2.495 1.00 0.51 H new ATOM 0 HD2 ARG A 11 -4.887 -10.356 3.220 1.00 0.73 H new ATOM 0 HD3 ARG A 11 -4.159 -10.329 1.626 1.00 0.73 H new ATOM 0 HE ARG A 11 -2.000 -10.636 3.411 1.00 0.97 H new ATOM 0 HH11 ARG A 11 -5.044 -12.390 2.897 1.00 1.81 H new ATOM 0 HH12 ARG A 11 -4.318 -13.973 3.191 1.00 1.81 H new ATOM 0 HH21 ARG A 11 -1.085 -12.719 3.731 1.00 1.98 H new ATOM 0 HH22 ARG A 11 -2.110 -14.156 3.656 1.00 1.98 H new ATOM 177 N ARG A 12 -1.157 -6.713 4.436 1.00 0.33 N ATOM 178 CA ARG A 12 -1.077 -6.384 5.856 1.00 0.39 C ATOM 179 C ARG A 12 -0.983 -4.873 6.107 1.00 0.39 C ATOM 180 O ARG A 12 -1.399 -4.378 7.151 1.00 0.48 O ATOM 181 CB ARG A 12 0.088 -7.120 6.505 1.00 0.49 C ATOM 182 CG ARG A 12 -0.067 -8.629 6.482 1.00 0.77 C ATOM 183 CD ARG A 12 1.074 -9.325 7.191 1.00 0.90 C ATOM 184 NE ARG A 12 2.384 -9.119 6.554 1.00 1.28 N ATOM 185 CZ ARG A 12 3.553 -9.467 7.123 1.00 1.77 C ATOM 186 NH1 ARG A 12 3.558 -10.041 8.330 1.00 2.08 N ATOM 187 NH2 ARG A 12 4.717 -9.265 6.491 1.00 2.59 N ATOM 0 H ARG A 12 -0.412 -7.333 4.117 1.00 0.33 H new ATOM 0 HA ARG A 12 -2.007 -6.717 6.318 1.00 0.39 H new ATOM 0 HB2 ARG A 12 1.011 -6.849 5.992 1.00 0.49 H new ATOM 0 HB3 ARG A 12 0.188 -6.788 7.538 1.00 0.49 H new ATOM 0 HG2 ARG A 12 -1.010 -8.904 6.955 1.00 0.77 H new ATOM 0 HG3 ARG A 12 -0.116 -8.973 5.449 1.00 0.77 H new ATOM 0 HD2 ARG A 12 1.121 -8.969 8.220 1.00 0.90 H new ATOM 0 HD3 ARG A 12 0.865 -10.394 7.233 1.00 0.90 H new ATOM 0 HE ARG A 12 2.408 -8.688 5.630 1.00 1.28 H new ATOM 0 HH11 ARG A 12 2.678 -10.214 8.816 1.00 2.08 H new ATOM 0 HH12 ARG A 12 4.442 -10.306 8.765 1.00 2.08 H new ATOM 0 HH21 ARG A 12 4.727 -8.841 5.563 1.00 2.59 H new ATOM 0 HH22 ARG A 12 5.593 -9.535 6.938 1.00 2.59 H new ATOM 201 N ALA A 13 -0.446 -4.153 5.146 1.00 0.35 N ATOM 202 CA ALA A 13 -0.317 -2.723 5.253 1.00 0.41 C ATOM 203 C ALA A 13 -1.644 -2.031 4.981 1.00 0.42 C ATOM 204 O ALA A 13 -2.069 -1.177 5.762 1.00 0.50 O ATOM 205 CB ALA A 13 0.745 -2.214 4.308 1.00 0.48 C ATOM 0 H ALA A 13 -0.089 -4.544 4.274 1.00 0.35 H new ATOM 0 HA ALA A 13 -0.016 -2.489 6.274 1.00 0.41 H new ATOM 0 HB1 ALA A 13 0.828 -1.131 4.403 1.00 0.48 H new ATOM 0 HB2 ALA A 13 1.702 -2.674 4.554 1.00 0.48 H new ATOM 0 HB3 ALA A 13 0.473 -2.468 3.284 1.00 0.48 H new ATOM 211 N LEU A 14 -2.308 -2.415 3.896 1.00 0.41 N ATOM 212 CA LEU A 14 -3.573 -1.783 3.515 1.00 0.49 C ATOM 213 C LEU A 14 -4.687 -2.056 4.521 1.00 0.55 C ATOM 214 O LEU A 14 -5.407 -1.133 4.902 1.00 0.72 O ATOM 215 CB LEU A 14 -4.062 -2.187 2.103 1.00 0.51 C ATOM 216 CG LEU A 14 -3.410 -1.546 0.862 1.00 0.52 C ATOM 217 CD1 LEU A 14 -1.990 -2.001 0.657 1.00 0.93 C ATOM 218 CD2 LEU A 14 -4.241 -1.840 -0.374 1.00 0.92 C ATOM 0 H LEU A 14 -1.997 -3.155 3.267 1.00 0.41 H new ATOM 0 HA LEU A 14 -3.350 -0.716 3.506 1.00 0.49 H new ATOM 0 HB2 LEU A 14 -3.944 -3.267 2.013 1.00 0.51 H new ATOM 0 HB3 LEU A 14 -5.131 -1.978 2.055 1.00 0.51 H new ATOM 0 HG LEU A 14 -3.378 -0.470 1.033 1.00 0.52 H new ATOM 0 HD11 LEU A 14 -1.578 -1.520 -0.230 1.00 0.93 H new ATOM 0 HD12 LEU A 14 -1.392 -1.731 1.527 1.00 0.93 H new ATOM 0 HD13 LEU A 14 -1.970 -3.083 0.525 1.00 0.93 H new ATOM 0 HD21 LEU A 14 -3.772 -1.383 -1.245 1.00 0.92 H new ATOM 0 HD22 LEU A 14 -4.306 -2.918 -0.521 1.00 0.92 H new ATOM 0 HD23 LEU A 14 -5.243 -1.430 -0.245 1.00 0.92 H new ATOM 230 N VAL A 15 -4.829 -3.312 4.945 1.00 0.51 N ATOM 231 CA VAL A 15 -5.916 -3.724 5.864 1.00 0.60 C ATOM 232 C VAL A 15 -5.951 -2.844 7.121 1.00 0.58 C ATOM 233 O VAL A 15 -6.976 -2.212 7.425 1.00 0.66 O ATOM 234 CB VAL A 15 -5.783 -5.219 6.278 1.00 0.69 C ATOM 235 CG1 VAL A 15 -6.897 -5.619 7.240 1.00 0.81 C ATOM 236 CG2 VAL A 15 -5.823 -6.113 5.053 1.00 0.76 C ATOM 0 H VAL A 15 -4.207 -4.072 4.671 1.00 0.51 H new ATOM 0 HA VAL A 15 -6.851 -3.596 5.318 1.00 0.60 H new ATOM 0 HB VAL A 15 -4.824 -5.343 6.782 1.00 0.69 H new ATOM 0 HG11 VAL A 15 -6.782 -6.668 7.514 1.00 0.81 H new ATOM 0 HG12 VAL A 15 -6.843 -5.001 8.137 1.00 0.81 H new ATOM 0 HG13 VAL A 15 -7.864 -5.474 6.758 1.00 0.81 H new ATOM 0 HG21 VAL A 15 -5.729 -7.155 5.360 1.00 0.76 H new ATOM 0 HG22 VAL A 15 -6.769 -5.973 4.531 1.00 0.76 H new ATOM 0 HG23 VAL A 15 -4.999 -5.855 4.387 1.00 0.76 H new ATOM 246 N GLU A 16 -4.838 -2.788 7.822 1.00 0.55 N ATOM 247 CA GLU A 16 -4.734 -2.013 9.053 1.00 0.63 C ATOM 248 C GLU A 16 -4.941 -0.529 8.832 1.00 0.58 C ATOM 249 O GLU A 16 -5.486 0.163 9.695 1.00 0.67 O ATOM 250 CB GLU A 16 -3.397 -2.269 9.719 1.00 0.82 C ATOM 251 CG GLU A 16 -3.264 -3.677 10.233 1.00 1.16 C ATOM 252 CD GLU A 16 -4.200 -3.960 11.386 1.00 1.67 C ATOM 253 OE1 GLU A 16 -5.428 -3.908 11.185 1.00 2.43 O ATOM 254 OE2 GLU A 16 -3.734 -4.195 12.526 1.00 1.83 O ATOM 0 H GLU A 16 -3.980 -3.274 7.561 1.00 0.55 H new ATOM 0 HA GLU A 16 -5.538 -2.346 9.709 1.00 0.63 H new ATOM 0 HB2 GLU A 16 -2.597 -2.070 9.006 1.00 0.82 H new ATOM 0 HB3 GLU A 16 -3.268 -1.571 10.546 1.00 0.82 H new ATOM 0 HG2 GLU A 16 -3.467 -4.377 9.423 1.00 1.16 H new ATOM 0 HG3 GLU A 16 -2.236 -3.849 10.552 1.00 1.16 H new ATOM 261 N SER A 17 -4.549 -0.054 7.683 1.00 0.52 N ATOM 262 CA SER A 17 -4.654 1.347 7.369 1.00 0.62 C ATOM 263 C SER A 17 -6.065 1.729 6.911 1.00 0.70 C ATOM 264 O SER A 17 -6.400 2.913 6.814 1.00 0.94 O ATOM 265 CB SER A 17 -3.629 1.694 6.326 1.00 0.67 C ATOM 266 OG SER A 17 -2.332 1.280 6.756 1.00 1.26 O ATOM 0 H SER A 17 -4.148 -0.624 6.938 1.00 0.52 H new ATOM 0 HA SER A 17 -4.460 1.923 8.274 1.00 0.62 H new ATOM 0 HB2 SER A 17 -3.880 1.209 5.383 1.00 0.67 H new ATOM 0 HB3 SER A 17 -3.634 2.769 6.143 1.00 0.67 H new ATOM 0 HG SER A 17 -2.061 0.482 6.256 1.00 1.26 H new ATOM 412 N PHE A 30 -5.066 -9.062 -5.247 1.00 0.50 N ATOM 413 CA PHE A 30 -5.698 -7.786 -4.983 1.00 0.39 C ATOM 414 C PHE A 30 -4.982 -6.639 -5.686 1.00 0.32 C ATOM 415 O PHE A 30 -5.519 -5.551 -5.796 1.00 0.31 O ATOM 416 CB PHE A 30 -5.809 -7.519 -3.476 1.00 0.39 C ATOM 417 CG PHE A 30 -4.500 -7.309 -2.767 1.00 0.38 C ATOM 418 CD1 PHE A 30 -3.697 -8.388 -2.451 1.00 0.47 C ATOM 419 CD2 PHE A 30 -4.062 -6.042 -2.442 1.00 0.41 C ATOM 420 CE1 PHE A 30 -2.492 -8.210 -1.825 1.00 0.55 C ATOM 421 CE2 PHE A 30 -2.855 -5.860 -1.819 1.00 0.48 C ATOM 422 CZ PHE A 30 -2.124 -6.903 -1.423 1.00 0.53 C ATOM 0 HA PHE A 30 -6.707 -7.841 -5.392 1.00 0.39 H new ATOM 0 HB2 PHE A 30 -6.432 -6.638 -3.324 1.00 0.39 H new ATOM 0 HB3 PHE A 30 -6.326 -8.359 -3.011 1.00 0.39 H new ATOM 0 HD1 PHE A 30 -4.024 -9.386 -2.701 1.00 0.47 H new ATOM 0 HD2 PHE A 30 -4.676 -5.186 -2.681 1.00 0.41 H new ATOM 0 HE1 PHE A 30 -1.836 -9.048 -1.642 1.00 0.55 H new ATOM 0 HE2 PHE A 30 -2.491 -4.858 -1.646 1.00 0.48 H new ATOM 0 HZ PHE A 30 -1.256 -6.751 -0.799 1.00 0.53 H new ATOM 432 N LEU A 31 -3.763 -6.891 -6.141 1.00 0.33 N ATOM 433 CA LEU A 31 -2.918 -5.874 -6.788 1.00 0.32 C ATOM 434 C LEU A 31 -3.594 -5.178 -7.958 1.00 0.28 C ATOM 435 O LEU A 31 -3.315 -4.023 -8.223 1.00 0.33 O ATOM 436 CB LEU A 31 -1.541 -6.418 -7.223 1.00 0.41 C ATOM 437 CG LEU A 31 -0.504 -6.712 -6.125 1.00 0.61 C ATOM 438 CD1 LEU A 31 -0.937 -7.845 -5.219 1.00 1.29 C ATOM 439 CD2 LEU A 31 0.842 -7.013 -6.750 1.00 0.98 C ATOM 0 H LEU A 31 -3.322 -7.808 -6.076 1.00 0.33 H new ATOM 0 HA LEU A 31 -2.757 -5.129 -6.009 1.00 0.32 H new ATOM 0 HB2 LEU A 31 -1.707 -7.339 -7.782 1.00 0.41 H new ATOM 0 HB3 LEU A 31 -1.101 -5.700 -7.915 1.00 0.41 H new ATOM 0 HG LEU A 31 -0.420 -5.821 -5.503 1.00 0.61 H new ATOM 0 HD11 LEU A 31 -0.174 -8.016 -4.460 1.00 1.29 H new ATOM 0 HD12 LEU A 31 -1.878 -7.584 -4.735 1.00 1.29 H new ATOM 0 HD13 LEU A 31 -1.072 -8.752 -5.809 1.00 1.29 H new ATOM 0 HD21 LEU A 31 1.570 -7.220 -5.965 1.00 0.98 H new ATOM 0 HD22 LEU A 31 0.754 -7.882 -7.402 1.00 0.98 H new ATOM 0 HD23 LEU A 31 1.172 -6.154 -7.334 1.00 0.98 H new ATOM 451 N ASP A 32 -4.471 -5.883 -8.638 1.00 0.32 N ATOM 452 CA ASP A 32 -5.157 -5.359 -9.810 1.00 0.43 C ATOM 453 C ASP A 32 -6.538 -4.798 -9.480 1.00 0.36 C ATOM 454 O ASP A 32 -7.287 -4.406 -10.385 1.00 0.42 O ATOM 455 CB ASP A 32 -5.294 -6.449 -10.873 1.00 0.69 C ATOM 456 CG ASP A 32 -6.136 -7.627 -10.432 1.00 1.22 C ATOM 457 OD1 ASP A 32 -5.580 -8.578 -9.851 1.00 1.74 O ATOM 458 OD2 ASP A 32 -7.366 -7.650 -10.702 1.00 1.99 O ATOM 0 H ASP A 32 -4.733 -6.839 -8.397 1.00 0.32 H new ATOM 0 HA ASP A 32 -4.549 -4.538 -10.189 1.00 0.43 H new ATOM 0 HB2 ASP A 32 -5.734 -6.015 -11.771 1.00 0.69 H new ATOM 0 HB3 ASP A 32 -4.301 -6.806 -11.145 1.00 0.69 H new ATOM 463 N LEU A 33 -6.877 -4.765 -8.213 1.00 0.32 N ATOM 464 CA LEU A 33 -8.153 -4.223 -7.782 1.00 0.33 C ATOM 465 C LEU A 33 -8.056 -2.716 -7.630 1.00 0.31 C ATOM 466 O LEU A 33 -7.013 -2.196 -7.274 1.00 0.45 O ATOM 467 CB LEU A 33 -8.600 -4.857 -6.459 1.00 0.40 C ATOM 468 CG LEU A 33 -8.876 -6.363 -6.489 1.00 0.47 C ATOM 469 CD1 LEU A 33 -9.256 -6.853 -5.110 1.00 0.57 C ATOM 470 CD2 LEU A 33 -9.984 -6.684 -7.473 1.00 0.58 C ATOM 0 H LEU A 33 -6.286 -5.108 -7.455 1.00 0.32 H new ATOM 0 HA LEU A 33 -8.897 -4.459 -8.543 1.00 0.33 H new ATOM 0 HB2 LEU A 33 -7.832 -4.665 -5.710 1.00 0.40 H new ATOM 0 HB3 LEU A 33 -9.505 -4.350 -6.125 1.00 0.40 H new ATOM 0 HG LEU A 33 -7.966 -6.871 -6.810 1.00 0.47 H new ATOM 0 HD11 LEU A 33 -9.450 -7.925 -5.145 1.00 0.57 H new ATOM 0 HD12 LEU A 33 -8.440 -6.654 -4.416 1.00 0.57 H new ATOM 0 HD13 LEU A 33 -10.153 -6.333 -4.774 1.00 0.57 H new ATOM 0 HD21 LEU A 33 -10.165 -7.759 -7.479 1.00 0.58 H new ATOM 0 HD22 LEU A 33 -10.895 -6.164 -7.177 1.00 0.58 H new ATOM 0 HD23 LEU A 33 -9.689 -6.360 -8.471 1.00 0.58 H new ATOM 482 N ARG A 34 -9.123 -2.020 -7.919 1.00 0.28 N ATOM 483 CA ARG A 34 -9.140 -0.569 -7.762 1.00 0.31 C ATOM 484 C ARG A 34 -9.313 -0.209 -6.300 1.00 0.29 C ATOM 485 O ARG A 34 -10.108 -0.849 -5.606 1.00 0.34 O ATOM 486 CB ARG A 34 -10.302 0.061 -8.516 1.00 0.48 C ATOM 487 CG ARG A 34 -10.272 -0.032 -10.019 1.00 0.73 C ATOM 488 CD ARG A 34 -11.485 0.694 -10.575 1.00 1.02 C ATOM 489 NE ARG A 34 -11.505 0.758 -12.025 1.00 1.90 N ATOM 490 CZ ARG A 34 -12.252 1.612 -12.747 1.00 2.41 C ATOM 491 NH1 ARG A 34 -13.077 2.483 -12.157 1.00 2.17 N ATOM 492 NH2 ARG A 34 -12.167 1.609 -14.053 1.00 3.51 N ATOM 0 H ARG A 34 -9.995 -2.422 -8.264 1.00 0.28 H new ATOM 0 HA ARG A 34 -8.195 -0.195 -8.156 1.00 0.31 H new ATOM 0 HB2 ARG A 34 -11.224 -0.403 -8.166 1.00 0.48 H new ATOM 0 HB3 ARG A 34 -10.352 1.115 -8.243 1.00 0.48 H new ATOM 0 HG2 ARG A 34 -9.355 0.412 -10.407 1.00 0.73 H new ATOM 0 HG3 ARG A 34 -10.279 -1.076 -10.333 1.00 0.73 H new ATOM 0 HD2 ARG A 34 -12.389 0.193 -10.228 1.00 1.02 H new ATOM 0 HD3 ARG A 34 -11.508 1.707 -10.174 1.00 1.02 H new ATOM 0 HE ARG A 34 -10.908 0.107 -12.534 1.00 1.90 H new ATOM 0 HH11 ARG A 34 -13.149 2.509 -11.140 1.00 2.17 H new ATOM 0 HH12 ARG A 34 -13.634 3.122 -12.724 1.00 2.17 H new ATOM 0 HH21 ARG A 34 -11.535 0.960 -14.521 1.00 3.51 H new ATOM 0 HH22 ARG A 34 -12.733 2.256 -14.602 1.00 3.51 H new ATOM 506 N PHE A 35 -8.582 0.788 -5.823 1.00 0.30 N ATOM 507 CA PHE A 35 -8.783 1.305 -4.465 1.00 0.34 C ATOM 508 C PHE A 35 -10.249 1.678 -4.216 1.00 0.38 C ATOM 509 O PHE A 35 -10.827 1.303 -3.194 1.00 0.41 O ATOM 510 CB PHE A 35 -7.852 2.468 -4.131 1.00 0.38 C ATOM 511 CG PHE A 35 -6.419 2.062 -3.950 1.00 0.37 C ATOM 512 CD1 PHE A 35 -6.033 1.325 -2.843 1.00 0.39 C ATOM 513 CD2 PHE A 35 -5.457 2.420 -4.873 1.00 0.40 C ATOM 514 CE1 PHE A 35 -4.718 0.954 -2.664 1.00 0.42 C ATOM 515 CE2 PHE A 35 -4.138 2.054 -4.697 1.00 0.44 C ATOM 516 CZ PHE A 35 -3.769 1.320 -3.589 1.00 0.44 C ATOM 0 H PHE A 35 -7.845 1.258 -6.349 1.00 0.30 H new ATOM 0 HA PHE A 35 -8.522 0.492 -3.787 1.00 0.34 H new ATOM 0 HB2 PHE A 35 -7.912 3.210 -4.927 1.00 0.38 H new ATOM 0 HB3 PHE A 35 -8.201 2.951 -3.218 1.00 0.38 H new ATOM 0 HD1 PHE A 35 -6.772 1.037 -2.110 1.00 0.39 H new ATOM 0 HD2 PHE A 35 -5.740 2.993 -5.743 1.00 0.40 H new ATOM 0 HE1 PHE A 35 -4.433 0.376 -1.797 1.00 0.42 H new ATOM 0 HE2 PHE A 35 -3.395 2.342 -5.426 1.00 0.44 H new ATOM 0 HZ PHE A 35 -2.737 1.034 -3.448 1.00 0.44 H new ATOM 526 N GLU A 36 -10.848 2.390 -5.174 1.00 0.44 N ATOM 527 CA GLU A 36 -12.277 2.777 -5.130 1.00 0.52 C ATOM 528 C GLU A 36 -13.198 1.557 -5.008 1.00 0.52 C ATOM 529 O GLU A 36 -14.296 1.629 -4.459 1.00 0.58 O ATOM 530 CB GLU A 36 -12.660 3.575 -6.385 1.00 0.64 C ATOM 531 CG GLU A 36 -12.363 2.852 -7.687 1.00 1.23 C ATOM 532 CD GLU A 36 -12.869 3.568 -8.905 1.00 1.60 C ATOM 533 OE1 GLU A 36 -12.403 4.697 -9.172 1.00 2.06 O ATOM 534 OE2 GLU A 36 -13.742 3.036 -9.613 1.00 1.97 O ATOM 0 H GLU A 36 -10.362 2.720 -6.008 1.00 0.44 H new ATOM 0 HA GLU A 36 -12.410 3.398 -4.244 1.00 0.52 H new ATOM 0 HB2 GLU A 36 -13.724 3.808 -6.345 1.00 0.64 H new ATOM 0 HB3 GLU A 36 -12.125 4.525 -6.378 1.00 0.64 H new ATOM 0 HG2 GLU A 36 -11.285 2.715 -7.778 1.00 1.23 H new ATOM 0 HG3 GLU A 36 -12.808 1.858 -7.650 1.00 1.23 H new ATOM 541 N ASP A 37 -12.728 0.447 -5.505 1.00 0.49 N ATOM 542 CA ASP A 37 -13.508 -0.767 -5.559 1.00 0.55 C ATOM 543 C ASP A 37 -13.411 -1.529 -4.250 1.00 0.55 C ATOM 544 O ASP A 37 -14.371 -2.147 -3.809 1.00 0.66 O ATOM 545 CB ASP A 37 -13.038 -1.621 -6.728 1.00 0.62 C ATOM 546 CG ASP A 37 -13.827 -2.885 -6.900 1.00 0.74 C ATOM 547 OD1 ASP A 37 -14.933 -2.827 -7.475 1.00 0.92 O ATOM 548 OD2 ASP A 37 -13.333 -3.960 -6.514 1.00 0.86 O ATOM 0 H ASP A 37 -11.787 0.354 -5.888 1.00 0.49 H new ATOM 0 HA ASP A 37 -14.557 -0.511 -5.710 1.00 0.55 H new ATOM 0 HB2 ASP A 37 -13.101 -1.035 -7.645 1.00 0.62 H new ATOM 0 HB3 ASP A 37 -11.988 -1.874 -6.584 1.00 0.62 H new ATOM 553 N ILE A 38 -12.267 -1.427 -3.602 1.00 0.47 N ATOM 554 CA ILE A 38 -12.046 -2.107 -2.330 1.00 0.51 C ATOM 555 C ILE A 38 -12.329 -1.188 -1.136 1.00 0.53 C ATOM 556 O ILE A 38 -12.004 -1.503 0.010 1.00 0.59 O ATOM 557 CB ILE A 38 -10.621 -2.728 -2.222 1.00 0.50 C ATOM 558 CG1 ILE A 38 -9.534 -1.666 -2.478 1.00 0.44 C ATOM 559 CG2 ILE A 38 -10.480 -3.894 -3.189 1.00 0.56 C ATOM 560 CD1 ILE A 38 -8.107 -2.177 -2.377 1.00 0.47 C ATOM 0 H ILE A 38 -11.472 -0.880 -3.932 1.00 0.47 H new ATOM 0 HA ILE A 38 -12.760 -2.930 -2.301 1.00 0.51 H new ATOM 0 HB ILE A 38 -10.485 -3.102 -1.207 1.00 0.50 H new ATOM 0 HG12 ILE A 38 -9.685 -1.245 -3.472 1.00 0.44 H new ATOM 0 HG13 ILE A 38 -9.665 -0.853 -1.764 1.00 0.44 H new ATOM 0 HG21 ILE A 38 -9.480 -4.319 -3.103 1.00 0.56 H new ATOM 0 HG22 ILE A 38 -11.220 -4.657 -2.949 1.00 0.56 H new ATOM 0 HG23 ILE A 38 -10.639 -3.542 -4.208 1.00 0.56 H new ATOM 0 HD11 ILE A 38 -7.413 -1.359 -2.572 1.00 0.47 H new ATOM 0 HD12 ILE A 38 -7.931 -2.570 -1.376 1.00 0.47 H new ATOM 0 HD13 ILE A 38 -7.951 -2.968 -3.110 1.00 0.47 H new ATOM 572 N GLY A 39 -12.996 -0.083 -1.415 1.00 0.54 N ATOM 573 CA GLY A 39 -13.394 0.850 -0.381 1.00 0.61 C ATOM 574 C GLY A 39 -12.230 1.589 0.264 1.00 0.55 C ATOM 575 O GLY A 39 -12.204 1.767 1.485 1.00 0.69 O ATOM 0 H GLY A 39 -13.275 0.190 -2.357 1.00 0.54 H new ATOM 0 HA2 GLY A 39 -14.082 1.579 -0.808 1.00 0.61 H new ATOM 0 HA3 GLY A 39 -13.941 0.310 0.391 1.00 0.61 H new ATOM 579 N TYR A 40 -11.255 1.972 -0.532 1.00 0.45 N ATOM 580 CA TYR A 40 -10.141 2.779 -0.058 1.00 0.48 C ATOM 581 C TYR A 40 -10.238 4.148 -0.664 1.00 0.56 C ATOM 582 O TYR A 40 -10.489 4.282 -1.863 1.00 0.64 O ATOM 583 CB TYR A 40 -8.776 2.150 -0.384 1.00 0.43 C ATOM 584 CG TYR A 40 -8.383 0.990 0.505 1.00 0.55 C ATOM 585 CD1 TYR A 40 -9.167 -0.151 0.557 1.00 0.73 C ATOM 586 CD2 TYR A 40 -7.238 1.029 1.281 1.00 0.74 C ATOM 587 CE1 TYR A 40 -8.820 -1.215 1.358 1.00 1.00 C ATOM 588 CE2 TYR A 40 -6.881 -0.027 2.084 1.00 0.99 C ATOM 589 CZ TYR A 40 -7.656 -1.121 2.146 1.00 1.11 C ATOM 590 OH TYR A 40 -7.315 -2.198 2.922 1.00 1.40 O ATOM 0 H TYR A 40 -11.208 1.736 -1.523 1.00 0.45 H new ATOM 0 HA TYR A 40 -10.207 2.838 1.028 1.00 0.48 H new ATOM 0 HB2 TYR A 40 -8.787 1.809 -1.419 1.00 0.43 H new ATOM 0 HB3 TYR A 40 -8.009 2.921 -0.311 1.00 0.43 H new ATOM 0 HD1 TYR A 40 -10.065 -0.206 -0.041 1.00 0.73 H new ATOM 0 HD2 TYR A 40 -6.612 1.908 1.255 1.00 0.74 H new ATOM 0 HE1 TYR A 40 -9.429 -2.106 1.382 1.00 1.00 H new ATOM 0 HE2 TYR A 40 -5.974 0.023 2.667 1.00 0.99 H new ATOM 0 HH TYR A 40 -7.628 -3.022 2.494 1.00 1.40 H new ATOM 600 N ASP A 41 -10.058 5.152 0.148 1.00 0.74 N ATOM 601 CA ASP A 41 -10.191 6.531 -0.287 1.00 0.95 C ATOM 602 C ASP A 41 -8.898 7.081 -0.898 1.00 1.01 C ATOM 603 O ASP A 41 -8.752 7.153 -2.118 1.00 1.89 O ATOM 604 CB ASP A 41 -10.688 7.449 0.873 1.00 1.15 C ATOM 605 CG ASP A 41 -9.812 7.501 2.114 1.00 1.57 C ATOM 606 OD1 ASP A 41 -9.016 6.571 2.342 1.00 2.16 O ATOM 607 OD2 ASP A 41 -9.816 8.527 2.803 1.00 2.07 O ATOM 0 H ASP A 41 -9.814 5.046 1.133 1.00 0.74 H new ATOM 0 HA ASP A 41 -10.945 6.534 -1.074 1.00 0.95 H new ATOM 0 HB2 ASP A 41 -10.793 8.463 0.486 1.00 1.15 H new ATOM 0 HB3 ASP A 41 -11.683 7.116 1.170 1.00 1.15 H new ATOM 612 N SER A 42 -7.960 7.373 -0.040 1.00 0.71 N ATOM 613 CA SER A 42 -6.713 8.008 -0.336 1.00 0.66 C ATOM 614 C SER A 42 -6.033 8.308 0.984 1.00 0.49 C ATOM 615 O SER A 42 -4.861 8.125 1.102 1.00 0.45 O ATOM 616 CB SER A 42 -6.913 9.313 -1.110 1.00 0.86 C ATOM 617 OG SER A 42 -7.766 10.199 -0.338 1.00 1.19 O ATOM 0 H SER A 42 -8.057 7.157 0.952 1.00 0.71 H new ATOM 0 HA SER A 42 -6.110 7.347 -0.959 1.00 0.66 H new ATOM 0 HB2 SER A 42 -5.951 9.789 -1.300 1.00 0.86 H new ATOM 0 HB3 SER A 42 -7.364 9.109 -2.081 1.00 0.86 H new ATOM 0 HG SER A 42 -7.896 11.037 -0.829 1.00 1.19 H new ATOM 622 N LEU A 43 -6.803 8.728 1.988 1.00 0.49 N ATOM 623 CA LEU A 43 -6.251 8.995 3.319 1.00 0.49 C ATOM 624 C LEU A 43 -5.812 7.704 3.959 1.00 0.42 C ATOM 625 O LEU A 43 -4.693 7.598 4.470 1.00 0.41 O ATOM 626 CB LEU A 43 -7.260 9.709 4.218 1.00 0.65 C ATOM 627 CG LEU A 43 -7.713 11.078 3.744 1.00 0.79 C ATOM 628 CD1 LEU A 43 -8.704 11.679 4.724 1.00 1.12 C ATOM 629 CD2 LEU A 43 -6.516 11.988 3.564 1.00 1.03 C ATOM 0 H LEU A 43 -7.807 8.891 1.907 1.00 0.49 H new ATOM 0 HA LEU A 43 -5.392 9.655 3.198 1.00 0.49 H new ATOM 0 HB2 LEU A 43 -8.139 9.073 4.323 1.00 0.65 H new ATOM 0 HB3 LEU A 43 -6.823 9.815 5.211 1.00 0.65 H new ATOM 0 HG LEU A 43 -8.213 10.969 2.782 1.00 0.79 H new ATOM 0 HD11 LEU A 43 -9.018 12.660 4.368 1.00 1.12 H new ATOM 0 HD12 LEU A 43 -9.574 11.028 4.807 1.00 1.12 H new ATOM 0 HD13 LEU A 43 -8.233 11.781 5.701 1.00 1.12 H new ATOM 0 HD21 LEU A 43 -6.852 12.968 3.224 1.00 1.03 H new ATOM 0 HD22 LEU A 43 -5.993 12.094 4.514 1.00 1.03 H new ATOM 0 HD23 LEU A 43 -5.841 11.559 2.824 1.00 1.03 H new ATOM 641 N ALA A 44 -6.684 6.712 3.892 1.00 0.40 N ATOM 642 CA ALA A 44 -6.400 5.373 4.388 1.00 0.38 C ATOM 643 C ALA A 44 -5.250 4.784 3.574 1.00 0.32 C ATOM 644 O ALA A 44 -4.371 4.079 4.080 1.00 0.33 O ATOM 645 CB ALA A 44 -7.650 4.519 4.230 1.00 0.43 C ATOM 0 H ALA A 44 -7.616 6.812 3.489 1.00 0.40 H new ATOM 0 HA ALA A 44 -6.117 5.402 5.440 1.00 0.38 H new ATOM 0 HB1 ALA A 44 -7.452 3.512 4.598 1.00 0.43 H new ATOM 0 HB2 ALA A 44 -8.467 4.960 4.802 1.00 0.43 H new ATOM 0 HB3 ALA A 44 -7.928 4.472 3.177 1.00 0.43 H new ATOM 651 N LEU A 45 -5.263 5.124 2.316 1.00 0.30 N ATOM 652 CA LEU A 45 -4.277 4.704 1.355 1.00 0.28 C ATOM 653 C LEU A 45 -2.892 5.351 1.699 1.00 0.28 C ATOM 654 O LEU A 45 -1.863 4.679 1.681 1.00 0.29 O ATOM 655 CB LEU A 45 -4.826 5.086 -0.044 1.00 0.30 C ATOM 656 CG LEU A 45 -4.160 4.531 -1.314 1.00 0.30 C ATOM 657 CD1 LEU A 45 -4.951 4.985 -2.510 1.00 0.35 C ATOM 658 CD2 LEU A 45 -2.713 4.959 -1.472 1.00 0.37 C ATOM 0 H LEU A 45 -5.985 5.722 1.915 1.00 0.30 H new ATOM 0 HA LEU A 45 -4.102 3.628 1.372 1.00 0.28 H new ATOM 0 HB2 LEU A 45 -5.874 4.788 -0.072 1.00 0.30 H new ATOM 0 HB3 LEU A 45 -4.801 6.173 -0.115 1.00 0.30 H new ATOM 0 HG LEU A 45 -4.154 3.444 -1.230 1.00 0.30 H new ATOM 0 HD11 LEU A 45 -4.490 4.599 -3.419 1.00 0.35 H new ATOM 0 HD12 LEU A 45 -5.972 4.612 -2.434 1.00 0.35 H new ATOM 0 HD13 LEU A 45 -4.965 6.074 -2.545 1.00 0.35 H new ATOM 0 HD21 LEU A 45 -2.305 4.532 -2.388 1.00 0.37 H new ATOM 0 HD22 LEU A 45 -2.659 6.046 -1.523 1.00 0.37 H new ATOM 0 HD23 LEU A 45 -2.134 4.606 -0.618 1.00 0.37 H new ATOM 670 N MET A 46 -2.893 6.641 2.037 1.00 0.30 N ATOM 671 CA MET A 46 -1.668 7.361 2.435 1.00 0.34 C ATOM 672 C MET A 46 -1.133 6.790 3.712 1.00 0.34 C ATOM 673 O MET A 46 0.061 6.624 3.865 1.00 0.40 O ATOM 674 CB MET A 46 -1.919 8.865 2.642 1.00 0.39 C ATOM 675 CG MET A 46 -2.316 9.620 1.401 1.00 0.45 C ATOM 676 SD MET A 46 -2.720 11.347 1.730 1.00 0.68 S ATOM 677 CE MET A 46 -3.329 11.843 0.117 1.00 1.44 C ATOM 0 H MET A 46 -3.733 7.219 2.045 1.00 0.30 H new ATOM 0 HA MET A 46 -0.949 7.239 1.625 1.00 0.34 H new ATOM 0 HB2 MET A 46 -2.702 8.988 3.390 1.00 0.39 H new ATOM 0 HB3 MET A 46 -1.015 9.316 3.050 1.00 0.39 H new ATOM 0 HG2 MET A 46 -1.502 9.574 0.678 1.00 0.45 H new ATOM 0 HG3 MET A 46 -3.177 9.131 0.944 1.00 0.45 H new ATOM 0 HE1 MET A 46 -3.271 12.927 0.024 1.00 1.44 H new ATOM 0 HE2 MET A 46 -2.721 11.379 -0.660 1.00 1.44 H new ATOM 0 HE3 MET A 46 -4.365 11.524 0.005 1.00 1.44 H new ATOM 687 N GLU A 47 -2.043 6.467 4.618 1.00 0.32 N ATOM 688 CA GLU A 47 -1.705 5.894 5.907 1.00 0.37 C ATOM 689 C GLU A 47 -0.999 4.540 5.699 1.00 0.32 C ATOM 690 O GLU A 47 -0.061 4.189 6.425 1.00 0.33 O ATOM 691 CB GLU A 47 -2.981 5.723 6.718 1.00 0.45 C ATOM 692 CG GLU A 47 -2.750 5.425 8.178 1.00 0.85 C ATOM 693 CD GLU A 47 -4.024 5.119 8.910 1.00 1.22 C ATOM 694 OE1 GLU A 47 -4.737 6.062 9.272 1.00 1.82 O ATOM 695 OE2 GLU A 47 -4.345 3.923 9.123 1.00 1.89 O ATOM 0 H GLU A 47 -3.045 6.597 4.476 1.00 0.32 H new ATOM 0 HA GLU A 47 -1.027 6.553 6.449 1.00 0.37 H new ATOM 0 HB2 GLU A 47 -3.576 6.632 6.634 1.00 0.45 H new ATOM 0 HB3 GLU A 47 -3.570 4.915 6.283 1.00 0.45 H new ATOM 0 HG2 GLU A 47 -2.070 4.578 8.270 1.00 0.85 H new ATOM 0 HG3 GLU A 47 -2.261 6.279 8.647 1.00 0.85 H new ATOM 702 N THR A 48 -1.434 3.827 4.666 1.00 0.31 N ATOM 703 CA THR A 48 -0.838 2.567 4.264 1.00 0.30 C ATOM 704 C THR A 48 0.627 2.813 3.887 1.00 0.29 C ATOM 705 O THR A 48 1.550 2.215 4.465 1.00 0.32 O ATOM 706 CB THR A 48 -1.588 2.016 3.024 1.00 0.33 C ATOM 707 OG1 THR A 48 -2.978 1.803 3.319 1.00 0.40 O ATOM 708 CG2 THR A 48 -0.969 0.724 2.540 1.00 0.33 C ATOM 0 H THR A 48 -2.219 4.114 4.081 1.00 0.31 H new ATOM 0 HA THR A 48 -0.903 1.850 5.082 1.00 0.30 H new ATOM 0 HB THR A 48 -1.502 2.762 2.234 1.00 0.33 H new ATOM 0 HG1 THR A 48 -3.399 2.658 3.548 1.00 0.40 H new ATOM 0 HG21 THR A 48 -1.516 0.362 1.670 1.00 0.33 H new ATOM 0 HG22 THR A 48 0.072 0.899 2.267 1.00 0.33 H new ATOM 0 HG23 THR A 48 -1.016 -0.022 3.334 1.00 0.33 H new ATOM 716 N ALA A 49 0.817 3.703 2.921 1.00 0.29 N ATOM 717 CA ALA A 49 2.130 4.062 2.425 1.00 0.30 C ATOM 718 C ALA A 49 3.026 4.575 3.548 1.00 0.27 C ATOM 719 O ALA A 49 4.160 4.134 3.684 1.00 0.27 O ATOM 720 CB ALA A 49 2.001 5.103 1.329 1.00 0.36 C ATOM 0 H ALA A 49 0.054 4.198 2.459 1.00 0.29 H new ATOM 0 HA ALA A 49 2.597 3.167 2.014 1.00 0.30 H new ATOM 0 HB1 ALA A 49 2.992 5.368 0.961 1.00 0.36 H new ATOM 0 HB2 ALA A 49 1.406 4.698 0.510 1.00 0.36 H new ATOM 0 HB3 ALA A 49 1.512 5.992 1.727 1.00 0.36 H new ATOM 726 N ALA A 50 2.478 5.460 4.377 1.00 0.29 N ATOM 727 CA ALA A 50 3.201 6.077 5.493 1.00 0.31 C ATOM 728 C ALA A 50 3.743 5.047 6.470 1.00 0.30 C ATOM 729 O ALA A 50 4.842 5.218 7.019 1.00 0.32 O ATOM 730 CB ALA A 50 2.314 7.074 6.221 1.00 0.39 C ATOM 0 H ALA A 50 1.511 5.774 4.295 1.00 0.29 H new ATOM 0 HA ALA A 50 4.055 6.602 5.065 1.00 0.31 H new ATOM 0 HB1 ALA A 50 2.869 7.521 7.046 1.00 0.39 H new ATOM 0 HB2 ALA A 50 2.001 7.856 5.529 1.00 0.39 H new ATOM 0 HB3 ALA A 50 1.435 6.562 6.611 1.00 0.39 H new ATOM 736 N ARG A 51 2.982 3.986 6.694 1.00 0.32 N ATOM 737 CA ARG A 51 3.402 2.912 7.582 1.00 0.37 C ATOM 738 C ARG A 51 4.648 2.237 7.008 1.00 0.32 C ATOM 739 O ARG A 51 5.658 2.047 7.699 1.00 0.36 O ATOM 740 CB ARG A 51 2.284 1.875 7.729 1.00 0.51 C ATOM 741 CG ARG A 51 2.580 0.798 8.757 1.00 1.04 C ATOM 742 CD ARG A 51 1.501 -0.266 8.778 1.00 1.15 C ATOM 743 NE ARG A 51 1.666 -1.180 9.908 1.00 1.91 N ATOM 744 CZ ARG A 51 1.231 -2.443 9.962 1.00 2.60 C ATOM 745 NH1 ARG A 51 0.644 -3.003 8.903 1.00 2.86 N ATOM 746 NH2 ARG A 51 1.371 -3.143 11.075 1.00 3.47 N ATOM 0 H ARG A 51 2.065 3.846 6.270 1.00 0.32 H new ATOM 0 HA ARG A 51 3.626 3.331 8.563 1.00 0.37 H new ATOM 0 HB2 ARG A 51 1.362 2.385 8.006 1.00 0.51 H new ATOM 0 HB3 ARG A 51 2.109 1.403 6.762 1.00 0.51 H new ATOM 0 HG2 ARG A 51 3.542 0.337 8.535 1.00 1.04 H new ATOM 0 HG3 ARG A 51 2.664 1.251 9.745 1.00 1.04 H new ATOM 0 HD2 ARG A 51 0.522 0.209 8.834 1.00 1.15 H new ATOM 0 HD3 ARG A 51 1.528 -0.831 7.846 1.00 1.15 H new ATOM 0 HE ARG A 51 2.156 -0.822 10.728 1.00 1.91 H new ATOM 0 HH11 ARG A 51 0.524 -2.467 8.044 1.00 2.86 H new ATOM 0 HH12 ARG A 51 0.315 -3.967 8.953 1.00 2.86 H new ATOM 0 HH21 ARG A 51 1.811 -2.719 11.892 1.00 3.47 H new ATOM 0 HH22 ARG A 51 1.039 -4.107 11.117 1.00 3.47 H new ATOM 760 N LEU A 52 4.576 1.910 5.728 1.00 0.27 N ATOM 761 CA LEU A 52 5.668 1.243 5.049 1.00 0.25 C ATOM 762 C LEU A 52 6.877 2.173 4.931 1.00 0.21 C ATOM 763 O LEU A 52 8.022 1.713 4.927 1.00 0.23 O ATOM 764 CB LEU A 52 5.224 0.703 3.679 1.00 0.29 C ATOM 765 CG LEU A 52 3.953 -0.150 3.692 1.00 0.36 C ATOM 766 CD1 LEU A 52 3.622 -0.629 2.297 1.00 0.44 C ATOM 767 CD2 LEU A 52 4.113 -1.332 4.632 1.00 0.44 C ATOM 0 H LEU A 52 3.766 2.098 5.138 1.00 0.27 H new ATOM 0 HA LEU A 52 5.970 0.383 5.647 1.00 0.25 H new ATOM 0 HB2 LEU A 52 5.068 1.547 3.007 1.00 0.29 H new ATOM 0 HB3 LEU A 52 6.036 0.109 3.261 1.00 0.29 H new ATOM 0 HG LEU A 52 3.130 0.468 4.051 1.00 0.36 H new ATOM 0 HD11 LEU A 52 2.716 -1.234 2.325 1.00 0.44 H new ATOM 0 HD12 LEU A 52 3.465 0.230 1.645 1.00 0.44 H new ATOM 0 HD13 LEU A 52 4.447 -1.229 1.913 1.00 0.44 H new ATOM 0 HD21 LEU A 52 3.199 -1.927 4.628 1.00 0.44 H new ATOM 0 HD22 LEU A 52 4.949 -1.949 4.302 1.00 0.44 H new ATOM 0 HD23 LEU A 52 4.306 -0.970 5.642 1.00 0.44 H new ATOM 779 N GLU A 53 6.615 3.483 4.846 1.00 0.19 N ATOM 780 CA GLU A 53 7.671 4.489 4.814 1.00 0.19 C ATOM 781 C GLU A 53 8.559 4.375 6.030 1.00 0.23 C ATOM 782 O GLU A 53 9.763 4.159 5.899 1.00 0.26 O ATOM 783 CB GLU A 53 7.129 5.914 4.763 1.00 0.22 C ATOM 784 CG GLU A 53 6.429 6.332 3.488 1.00 0.25 C ATOM 785 CD GLU A 53 6.069 7.801 3.523 1.00 0.33 C ATOM 786 OE1 GLU A 53 4.980 8.150 4.046 1.00 0.49 O ATOM 787 OE2 GLU A 53 6.820 8.621 3.007 1.00 0.38 O ATOM 0 H GLU A 53 5.672 3.868 4.798 1.00 0.19 H new ATOM 0 HA GLU A 53 8.235 4.295 3.902 1.00 0.19 H new ATOM 0 HB2 GLU A 53 6.432 6.042 5.591 1.00 0.22 H new ATOM 0 HB3 GLU A 53 7.959 6.600 4.936 1.00 0.22 H new ATOM 0 HG2 GLU A 53 7.074 6.132 2.633 1.00 0.25 H new ATOM 0 HG3 GLU A 53 5.527 5.736 3.352 1.00 0.25 H new ATOM 794 N SER A 54 7.973 4.511 7.202 1.00 0.31 N ATOM 795 CA SER A 54 8.724 4.485 8.431 1.00 0.40 C ATOM 796 C SER A 54 9.390 3.129 8.681 1.00 0.36 C ATOM 797 O SER A 54 10.587 3.067 8.998 1.00 0.39 O ATOM 798 CB SER A 54 7.844 4.921 9.609 1.00 0.53 C ATOM 799 OG SER A 54 6.619 4.201 9.628 1.00 1.17 O ATOM 0 H SER A 54 6.969 4.642 7.325 1.00 0.31 H new ATOM 0 HA SER A 54 9.538 5.204 8.335 1.00 0.40 H new ATOM 0 HB2 SER A 54 8.378 4.760 10.545 1.00 0.53 H new ATOM 0 HB3 SER A 54 7.640 5.989 9.538 1.00 0.53 H new ATOM 0 HG SER A 54 6.610 3.552 8.894 1.00 1.17 H new ATOM 805 N ARG A 55 8.631 2.057 8.525 1.00 0.35 N ATOM 806 CA ARG A 55 9.135 0.709 8.773 1.00 0.37 C ATOM 807 C ARG A 55 10.231 0.266 7.780 1.00 0.31 C ATOM 808 O ARG A 55 11.235 -0.332 8.178 1.00 0.36 O ATOM 809 CB ARG A 55 7.979 -0.317 8.832 1.00 0.48 C ATOM 810 CG ARG A 55 8.445 -1.762 8.999 1.00 0.61 C ATOM 811 CD ARG A 55 7.287 -2.744 9.164 1.00 0.85 C ATOM 812 NE ARG A 55 6.619 -2.620 10.459 1.00 1.35 N ATOM 813 CZ ARG A 55 6.732 -3.508 11.462 1.00 2.03 C ATOM 814 NH1 ARG A 55 7.426 -4.642 11.281 1.00 2.37 N ATOM 815 NH2 ARG A 55 6.114 -3.291 12.624 1.00 2.81 N ATOM 0 H ARG A 55 7.656 2.091 8.226 1.00 0.35 H new ATOM 0 HA ARG A 55 9.617 0.743 9.750 1.00 0.37 H new ATOM 0 HB2 ARG A 55 7.319 -0.060 9.661 1.00 0.48 H new ATOM 0 HB3 ARG A 55 7.389 -0.239 7.919 1.00 0.48 H new ATOM 0 HG2 ARG A 55 9.038 -2.050 8.131 1.00 0.61 H new ATOM 0 HG3 ARG A 55 9.099 -1.830 9.868 1.00 0.61 H new ATOM 0 HD2 ARG A 55 6.561 -2.579 8.368 1.00 0.85 H new ATOM 0 HD3 ARG A 55 7.660 -3.762 9.049 1.00 0.85 H new ATOM 0 HE ARG A 55 6.027 -1.804 10.612 1.00 1.35 H new ATOM 0 HH11 ARG A 55 7.869 -4.831 10.382 1.00 2.37 H new ATOM 0 HH12 ARG A 55 7.511 -5.315 12.043 1.00 2.37 H new ATOM 0 HH21 ARG A 55 5.553 -2.449 12.754 1.00 2.81 H new ATOM 0 HH22 ARG A 55 6.202 -3.967 13.383 1.00 2.81 H new ATOM 829 N TYR A 56 10.054 0.547 6.508 1.00 0.28 N ATOM 830 CA TYR A 56 10.986 0.031 5.519 1.00 0.31 C ATOM 831 C TYR A 56 12.000 1.056 5.033 1.00 0.33 C ATOM 832 O TYR A 56 13.080 0.689 4.588 1.00 0.43 O ATOM 833 CB TYR A 56 10.233 -0.637 4.365 1.00 0.34 C ATOM 834 CG TYR A 56 9.364 -1.773 4.856 1.00 0.41 C ATOM 835 CD1 TYR A 56 9.920 -2.995 5.200 1.00 0.53 C ATOM 836 CD2 TYR A 56 7.986 -1.636 4.935 1.00 0.45 C ATOM 837 CE1 TYR A 56 9.133 -4.047 5.615 1.00 0.64 C ATOM 838 CE2 TYR A 56 7.187 -2.687 5.340 1.00 0.57 C ATOM 839 CZ TYR A 56 7.771 -3.830 5.833 1.00 0.66 C ATOM 840 OH TYR A 56 6.969 -4.955 6.072 1.00 0.80 O ATOM 0 H TYR A 56 9.294 1.116 6.136 1.00 0.28 H new ATOM 0 HA TYR A 56 11.584 -0.729 6.022 1.00 0.31 H new ATOM 0 HB2 TYR A 56 9.614 0.102 3.856 1.00 0.34 H new ATOM 0 HB3 TYR A 56 10.947 -1.014 3.633 1.00 0.34 H new ATOM 0 HD1 TYR A 56 10.991 -3.125 5.142 1.00 0.53 H new ATOM 0 HD2 TYR A 56 7.530 -0.692 4.675 1.00 0.45 H new ATOM 0 HE1 TYR A 56 9.563 -5.025 5.769 1.00 0.64 H new ATOM 0 HE2 TYR A 56 6.112 -2.612 5.270 1.00 0.57 H new ATOM 0 HH TYR A 56 6.041 -4.672 6.209 1.00 0.80 H new ATOM 850 N GLY A 57 11.684 2.314 5.150 1.00 0.31 N ATOM 851 CA GLY A 57 12.613 3.329 4.718 1.00 0.38 C ATOM 852 C GLY A 57 12.363 3.765 3.295 1.00 0.38 C ATOM 853 O GLY A 57 13.241 3.638 2.429 1.00 0.53 O ATOM 0 H GLY A 57 10.806 2.662 5.534 1.00 0.31 H new ATOM 0 HA2 GLY A 57 12.538 4.192 5.379 1.00 0.38 H new ATOM 0 HA3 GLY A 57 13.631 2.948 4.806 1.00 0.38 H new ATOM 857 N VAL A 58 11.168 4.263 3.053 1.00 0.37 N ATOM 858 CA VAL A 58 10.760 4.771 1.747 1.00 0.37 C ATOM 859 C VAL A 58 10.041 6.077 1.955 1.00 0.34 C ATOM 860 O VAL A 58 9.831 6.486 3.107 1.00 0.33 O ATOM 861 CB VAL A 58 9.797 3.809 0.952 1.00 0.38 C ATOM 862 CG1 VAL A 58 10.389 2.452 0.793 1.00 0.45 C ATOM 863 CG2 VAL A 58 8.426 3.698 1.600 1.00 0.33 C ATOM 0 H VAL A 58 10.439 4.330 3.763 1.00 0.37 H new ATOM 0 HA VAL A 58 11.668 4.873 1.153 1.00 0.37 H new ATOM 0 HB VAL A 58 9.669 4.257 -0.034 1.00 0.38 H new ATOM 0 HG11 VAL A 58 9.698 1.816 0.240 1.00 0.45 H new ATOM 0 HG12 VAL A 58 11.329 2.527 0.246 1.00 0.45 H new ATOM 0 HG13 VAL A 58 10.574 2.018 1.776 1.00 0.45 H new ATOM 0 HG21 VAL A 58 7.800 3.024 1.015 1.00 0.33 H new ATOM 0 HG22 VAL A 58 8.532 3.307 2.612 1.00 0.33 H new ATOM 0 HG23 VAL A 58 7.961 4.683 1.639 1.00 0.33 H new ATOM 873 N SER A 59 9.664 6.726 0.893 1.00 0.37 N ATOM 874 CA SER A 59 8.845 7.870 1.003 1.00 0.41 C ATOM 875 C SER A 59 7.874 7.901 -0.162 1.00 0.38 C ATOM 876 O SER A 59 8.276 7.888 -1.333 1.00 0.47 O ATOM 877 CB SER A 59 9.663 9.158 1.086 1.00 0.56 C ATOM 878 OG SER A 59 8.850 10.233 1.574 1.00 1.54 O ATOM 0 H SER A 59 9.919 6.471 -0.061 1.00 0.37 H new ATOM 0 HA SER A 59 8.285 7.808 1.936 1.00 0.41 H new ATOM 0 HB2 SER A 59 10.518 9.012 1.745 1.00 0.56 H new ATOM 0 HB3 SER A 59 10.058 9.410 0.102 1.00 0.56 H new ATOM 0 HG SER A 59 8.110 9.869 2.103 1.00 1.54 H new ATOM 884 N ILE A 60 6.606 7.890 0.164 1.00 0.31 N ATOM 885 CA ILE A 60 5.556 7.902 -0.820 1.00 0.31 C ATOM 886 C ILE A 60 4.777 9.196 -0.678 1.00 0.34 C ATOM 887 O ILE A 60 4.072 9.392 0.320 1.00 0.40 O ATOM 888 CB ILE A 60 4.582 6.693 -0.665 1.00 0.33 C ATOM 889 CG1 ILE A 60 5.343 5.350 -0.706 1.00 0.47 C ATOM 890 CG2 ILE A 60 3.492 6.724 -1.744 1.00 0.35 C ATOM 891 CD1 ILE A 60 6.120 5.100 -1.990 1.00 0.59 C ATOM 0 H ILE A 60 6.272 7.872 1.128 1.00 0.31 H new ATOM 0 HA ILE A 60 6.015 7.824 -1.806 1.00 0.31 H new ATOM 0 HB ILE A 60 4.104 6.781 0.311 1.00 0.33 H new ATOM 0 HG12 ILE A 60 6.036 5.314 0.135 1.00 0.47 H new ATOM 0 HG13 ILE A 60 4.629 4.539 -0.565 1.00 0.47 H new ATOM 0 HG21 ILE A 60 2.826 5.871 -1.613 1.00 0.35 H new ATOM 0 HG22 ILE A 60 2.920 7.647 -1.656 1.00 0.35 H new ATOM 0 HG23 ILE A 60 3.954 6.676 -2.730 1.00 0.35 H new ATOM 0 HD11 ILE A 60 6.622 4.134 -1.929 1.00 0.59 H new ATOM 0 HD12 ILE A 60 5.433 5.099 -2.837 1.00 0.59 H new ATOM 0 HD13 ILE A 60 6.862 5.887 -2.125 1.00 0.59 H new ATOM 903 N PRO A 61 4.929 10.108 -1.639 1.00 0.37 N ATOM 904 CA PRO A 61 4.241 11.393 -1.624 1.00 0.45 C ATOM 905 C PRO A 61 2.715 11.245 -1.724 1.00 0.41 C ATOM 906 O PRO A 61 2.196 10.378 -2.463 1.00 0.35 O ATOM 907 CB PRO A 61 4.789 12.117 -2.866 1.00 0.54 C ATOM 908 CG PRO A 61 6.032 11.388 -3.223 1.00 0.56 C ATOM 909 CD PRO A 61 5.805 9.970 -2.810 1.00 0.43 C ATOM 0 HA PRO A 61 4.415 11.929 -0.691 1.00 0.45 H new ATOM 0 HB2 PRO A 61 4.070 12.094 -3.685 1.00 0.54 H new ATOM 0 HB3 PRO A 61 4.995 13.166 -2.652 1.00 0.54 H new ATOM 0 HG2 PRO A 61 6.232 11.457 -4.292 1.00 0.56 H new ATOM 0 HG3 PRO A 61 6.895 11.812 -2.709 1.00 0.56 H new ATOM 0 HD2 PRO A 61 5.333 9.389 -3.602 1.00 0.43 H new ATOM 0 HD3 PRO A 61 6.739 9.467 -2.559 1.00 0.43 H new ATOM 917 N ASP A 62 2.009 12.099 -0.990 1.00 0.51 N ATOM 918 CA ASP A 62 0.532 12.142 -0.950 1.00 0.55 C ATOM 919 C ASP A 62 -0.083 12.306 -2.346 1.00 0.45 C ATOM 920 O ASP A 62 -1.164 11.770 -2.630 1.00 0.46 O ATOM 921 CB ASP A 62 0.027 13.266 -0.008 1.00 0.77 C ATOM 922 CG ASP A 62 0.409 14.672 -0.454 1.00 1.28 C ATOM 923 OD1 ASP A 62 1.581 15.078 -0.242 1.00 1.64 O ATOM 924 OD2 ASP A 62 -0.444 15.405 -1.000 1.00 1.99 O ATOM 0 H ASP A 62 2.446 12.799 -0.391 1.00 0.51 H new ATOM 0 HA ASP A 62 0.205 11.180 -0.555 1.00 0.55 H new ATOM 0 HB2 ASP A 62 -1.059 13.203 0.066 1.00 0.77 H new ATOM 0 HB3 ASP A 62 0.425 13.093 0.992 1.00 0.77 H new ATOM 929 N ASP A 63 0.639 12.973 -3.229 1.00 0.44 N ATOM 930 CA ASP A 63 0.173 13.230 -4.595 1.00 0.45 C ATOM 931 C ASP A 63 0.170 11.934 -5.399 1.00 0.40 C ATOM 932 O ASP A 63 -0.715 11.689 -6.205 1.00 0.48 O ATOM 933 CB ASP A 63 1.097 14.260 -5.256 1.00 0.58 C ATOM 934 CG ASP A 63 0.693 14.645 -6.659 1.00 1.37 C ATOM 935 OD1 ASP A 63 -0.234 15.454 -6.816 1.00 1.66 O ATOM 936 OD2 ASP A 63 1.358 14.201 -7.626 1.00 2.18 O ATOM 0 H ASP A 63 1.563 13.354 -3.028 1.00 0.44 H new ATOM 0 HA ASP A 63 -0.844 13.621 -4.566 1.00 0.45 H new ATOM 0 HB2 ASP A 63 1.122 15.158 -4.638 1.00 0.58 H new ATOM 0 HB3 ASP A 63 2.111 13.860 -5.279 1.00 0.58 H new ATOM 941 N VAL A 64 1.123 11.076 -5.099 1.00 0.34 N ATOM 942 CA VAL A 64 1.248 9.785 -5.755 1.00 0.37 C ATOM 943 C VAL A 64 0.179 8.849 -5.206 1.00 0.36 C ATOM 944 O VAL A 64 -0.480 8.127 -5.953 1.00 0.43 O ATOM 945 CB VAL A 64 2.642 9.171 -5.489 1.00 0.45 C ATOM 946 CG1 VAL A 64 2.812 7.868 -6.241 1.00 0.57 C ATOM 947 CG2 VAL A 64 3.738 10.142 -5.870 1.00 0.50 C ATOM 0 H VAL A 64 1.836 11.252 -4.392 1.00 0.34 H new ATOM 0 HA VAL A 64 1.124 9.920 -6.829 1.00 0.37 H new ATOM 0 HB VAL A 64 2.717 8.964 -4.421 1.00 0.45 H new ATOM 0 HG11 VAL A 64 3.801 7.457 -6.037 1.00 0.57 H new ATOM 0 HG12 VAL A 64 2.050 7.159 -5.917 1.00 0.57 H new ATOM 0 HG13 VAL A 64 2.708 8.049 -7.311 1.00 0.57 H new ATOM 0 HG21 VAL A 64 4.710 9.689 -5.674 1.00 0.50 H new ATOM 0 HG22 VAL A 64 3.657 10.384 -6.930 1.00 0.50 H new ATOM 0 HG23 VAL A 64 3.638 11.054 -5.281 1.00 0.50 H new ATOM 957 N ALA A 65 0.009 8.887 -3.895 1.00 0.35 N ATOM 958 CA ALA A 65 -0.973 8.065 -3.195 1.00 0.39 C ATOM 959 C ALA A 65 -2.394 8.290 -3.739 1.00 0.41 C ATOM 960 O ALA A 65 -3.177 7.359 -3.859 1.00 0.45 O ATOM 961 CB ALA A 65 -0.912 8.340 -1.703 1.00 0.44 C ATOM 0 H ALA A 65 0.551 9.493 -3.279 1.00 0.35 H new ATOM 0 HA ALA A 65 -0.725 7.018 -3.371 1.00 0.39 H new ATOM 0 HB1 ALA A 65 -1.648 7.722 -1.189 1.00 0.44 H new ATOM 0 HB2 ALA A 65 0.084 8.103 -1.330 1.00 0.44 H new ATOM 0 HB3 ALA A 65 -1.128 9.392 -1.518 1.00 0.44 H new ATOM 967 N GLY A 66 -2.695 9.520 -4.111 1.00 0.47 N ATOM 968 CA GLY A 66 -4.001 9.823 -4.671 1.00 0.55 C ATOM 969 C GLY A 66 -4.046 9.618 -6.183 1.00 0.58 C ATOM 970 O GLY A 66 -5.066 9.868 -6.826 1.00 0.81 O ATOM 0 H GLY A 66 -2.063 10.317 -4.038 1.00 0.47 H new ATOM 0 HA2 GLY A 66 -4.752 9.190 -4.198 1.00 0.55 H new ATOM 0 HA3 GLY A 66 -4.263 10.855 -4.439 1.00 0.55 H new ATOM 974 N ARG A 67 -2.947 9.181 -6.748 1.00 0.54 N ATOM 975 CA ARG A 67 -2.847 8.977 -8.184 1.00 0.61 C ATOM 976 C ARG A 67 -2.856 7.483 -8.542 1.00 0.52 C ATOM 977 O ARG A 67 -3.354 7.093 -9.599 1.00 0.59 O ATOM 978 CB ARG A 67 -1.577 9.641 -8.716 1.00 0.75 C ATOM 979 CG ARG A 67 -1.420 9.581 -10.222 1.00 1.32 C ATOM 980 CD ARG A 67 -0.134 10.245 -10.662 1.00 1.55 C ATOM 981 NE ARG A 67 1.067 9.536 -10.189 1.00 1.97 N ATOM 982 CZ ARG A 67 2.134 10.133 -9.644 1.00 2.53 C ATOM 983 NH1 ARG A 67 2.091 11.426 -9.349 1.00 2.73 N ATOM 984 NH2 ARG A 67 3.223 9.430 -9.365 1.00 3.33 N ATOM 0 H ARG A 67 -2.096 8.956 -6.233 1.00 0.54 H new ATOM 0 HA ARG A 67 -3.718 9.435 -8.652 1.00 0.61 H new ATOM 0 HB2 ARG A 67 -1.570 10.685 -8.404 1.00 0.75 H new ATOM 0 HB3 ARG A 67 -0.712 9.165 -8.254 1.00 0.75 H new ATOM 0 HG2 ARG A 67 -1.427 8.542 -10.550 1.00 1.32 H new ATOM 0 HG3 ARG A 67 -2.268 10.072 -10.699 1.00 1.32 H new ATOM 0 HD2 ARG A 67 -0.113 10.299 -11.750 1.00 1.55 H new ATOM 0 HD3 ARG A 67 -0.115 11.270 -10.291 1.00 1.55 H new ATOM 0 HE ARG A 67 1.087 8.521 -10.283 1.00 1.97 H new ATOM 0 HH11 ARG A 67 1.245 11.964 -9.538 1.00 2.73 H new ATOM 0 HH12 ARG A 67 2.904 11.882 -8.934 1.00 2.73 H new ATOM 0 HH21 ARG A 67 3.250 8.430 -9.566 1.00 3.33 H new ATOM 0 HH22 ARG A 67 4.034 9.889 -8.950 1.00 3.33 H new ATOM 998 N VAL A 68 -2.335 6.658 -7.654 1.00 0.43 N ATOM 999 CA VAL A 68 -2.224 5.220 -7.910 1.00 0.39 C ATOM 1000 C VAL A 68 -3.589 4.536 -7.819 1.00 0.35 C ATOM 1001 O VAL A 68 -4.341 4.750 -6.870 1.00 0.45 O ATOM 1002 CB VAL A 68 -1.180 4.537 -6.967 1.00 0.39 C ATOM 1003 CG1 VAL A 68 0.220 5.003 -7.318 1.00 0.44 C ATOM 1004 CG2 VAL A 68 -1.453 4.843 -5.499 1.00 0.36 C ATOM 0 H VAL A 68 -1.979 6.952 -6.745 1.00 0.43 H new ATOM 0 HA VAL A 68 -1.858 5.101 -8.930 1.00 0.39 H new ATOM 0 HB VAL A 68 -1.267 3.460 -7.114 1.00 0.39 H new ATOM 0 HG11 VAL A 68 0.940 4.522 -6.656 1.00 0.44 H new ATOM 0 HG12 VAL A 68 0.443 4.738 -8.351 1.00 0.44 H new ATOM 0 HG13 VAL A 68 0.284 6.085 -7.199 1.00 0.44 H new ATOM 0 HG21 VAL A 68 -0.705 4.349 -4.879 1.00 0.36 H new ATOM 0 HG22 VAL A 68 -1.405 5.920 -5.337 1.00 0.36 H new ATOM 0 HG23 VAL A 68 -2.445 4.479 -5.230 1.00 0.36 H new ATOM 1014 N ASP A 69 -3.914 3.770 -8.852 1.00 0.33 N ATOM 1015 CA ASP A 69 -5.245 3.152 -8.996 1.00 0.41 C ATOM 1016 C ASP A 69 -5.338 1.817 -8.305 1.00 0.28 C ATOM 1017 O ASP A 69 -6.378 1.477 -7.724 1.00 0.33 O ATOM 1018 CB ASP A 69 -5.591 2.908 -10.476 1.00 0.62 C ATOM 1019 CG ASP A 69 -5.599 4.139 -11.338 1.00 1.36 C ATOM 1020 OD1 ASP A 69 -6.482 5.017 -11.157 1.00 1.76 O ATOM 1021 OD2 ASP A 69 -4.746 4.236 -12.248 1.00 2.11 O ATOM 0 H ASP A 69 -3.273 3.554 -9.615 1.00 0.33 H new ATOM 0 HA ASP A 69 -5.939 3.857 -8.540 1.00 0.41 H new ATOM 0 HB2 ASP A 69 -4.874 2.198 -10.889 1.00 0.62 H new ATOM 0 HB3 ASP A 69 -6.573 2.438 -10.531 1.00 0.62 H new ATOM 1026 N THR A 70 -4.283 1.054 -8.374 1.00 0.30 N ATOM 1027 CA THR A 70 -4.293 -0.288 -7.862 1.00 0.27 C ATOM 1028 C THR A 70 -3.164 -0.471 -6.844 1.00 0.24 C ATOM 1029 O THR A 70 -2.171 0.278 -6.873 1.00 0.25 O ATOM 1030 CB THR A 70 -4.092 -1.288 -9.030 1.00 0.34 C ATOM 1031 OG1 THR A 70 -2.860 -0.991 -9.703 1.00 0.44 O ATOM 1032 CG2 THR A 70 -5.244 -1.224 -10.030 1.00 0.36 C ATOM 0 H THR A 70 -3.395 1.343 -8.785 1.00 0.30 H new ATOM 0 HA THR A 70 -5.250 -0.474 -7.375 1.00 0.27 H new ATOM 0 HB THR A 70 -4.063 -2.294 -8.612 1.00 0.34 H new ATOM 0 HG1 THR A 70 -2.730 -1.623 -10.441 1.00 0.44 H new ATOM 0 HG21 THR A 70 -5.068 -1.939 -10.834 1.00 0.36 H new ATOM 0 HG22 THR A 70 -6.178 -1.469 -9.525 1.00 0.36 H new ATOM 0 HG23 THR A 70 -5.309 -0.219 -10.446 1.00 0.36 H new ATOM 1040 N PRO A 71 -3.292 -1.443 -5.909 1.00 0.22 N ATOM 1041 CA PRO A 71 -2.247 -1.744 -4.934 1.00 0.22 C ATOM 1042 C PRO A 71 -0.936 -2.139 -5.604 1.00 0.22 C ATOM 1043 O PRO A 71 0.132 -1.956 -5.022 1.00 0.23 O ATOM 1044 CB PRO A 71 -2.814 -2.924 -4.131 1.00 0.26 C ATOM 1045 CG PRO A 71 -4.283 -2.827 -4.319 1.00 0.23 C ATOM 1046 CD PRO A 71 -4.482 -2.283 -5.699 1.00 0.23 C ATOM 0 HA PRO A 71 -2.010 -0.877 -4.317 1.00 0.22 H new ATOM 0 HB2 PRO A 71 -2.429 -3.876 -4.497 1.00 0.26 H new ATOM 0 HB3 PRO A 71 -2.543 -2.855 -3.078 1.00 0.26 H new ATOM 0 HG2 PRO A 71 -4.756 -3.803 -4.211 1.00 0.23 H new ATOM 0 HG3 PRO A 71 -4.730 -2.171 -3.572 1.00 0.23 H new ATOM 0 HD2 PRO A 71 -4.547 -3.080 -6.440 1.00 0.23 H new ATOM 0 HD3 PRO A 71 -5.402 -1.703 -5.774 1.00 0.23 H new ATOM 1054 N ARG A 72 -1.025 -2.686 -6.831 1.00 0.24 N ATOM 1055 CA ARG A 72 0.153 -3.067 -7.617 1.00 0.28 C ATOM 1056 C ARG A 72 1.098 -1.883 -7.739 1.00 0.27 C ATOM 1057 O ARG A 72 2.296 -2.005 -7.503 1.00 0.32 O ATOM 1058 CB ARG A 72 -0.231 -3.513 -9.023 1.00 0.40 C ATOM 1059 CG ARG A 72 0.898 -4.226 -9.750 1.00 0.70 C ATOM 1060 CD ARG A 72 0.631 -4.374 -11.234 1.00 0.74 C ATOM 1061 NE ARG A 72 -0.716 -4.877 -11.535 1.00 1.18 N ATOM 1062 CZ ARG A 72 -1.011 -6.089 -12.013 1.00 1.71 C ATOM 1063 NH1 ARG A 72 -0.103 -7.057 -12.023 1.00 1.88 N ATOM 1064 NH2 ARG A 72 -2.236 -6.324 -12.436 1.00 2.72 N ATOM 0 H ARG A 72 -1.912 -2.873 -7.299 1.00 0.24 H new ATOM 0 HA ARG A 72 0.635 -3.896 -7.098 1.00 0.28 H new ATOM 0 HB2 ARG A 72 -1.094 -4.176 -8.965 1.00 0.40 H new ATOM 0 HB3 ARG A 72 -0.537 -2.643 -9.603 1.00 0.40 H new ATOM 0 HG2 ARG A 72 1.826 -3.673 -9.605 1.00 0.70 H new ATOM 0 HG3 ARG A 72 1.043 -5.213 -9.310 1.00 0.70 H new ATOM 0 HD2 ARG A 72 0.767 -3.407 -11.719 1.00 0.74 H new ATOM 0 HD3 ARG A 72 1.369 -5.052 -11.663 1.00 0.74 H new ATOM 0 HE ARG A 72 -1.497 -4.243 -11.363 1.00 1.18 H new ATOM 0 HH11 ARG A 72 0.835 -6.880 -11.662 1.00 1.88 H new ATOM 0 HH12 ARG A 72 -0.343 -7.977 -12.391 1.00 1.88 H new ATOM 0 HH21 ARG A 72 -2.940 -5.587 -12.395 1.00 2.72 H new ATOM 0 HH22 ARG A 72 -2.481 -7.243 -12.804 1.00 2.72 H new ATOM 1078 N GLU A 73 0.512 -0.730 -8.059 1.00 0.24 N ATOM 1079 CA GLU A 73 1.241 0.513 -8.263 1.00 0.26 C ATOM 1080 C GLU A 73 1.961 0.896 -6.977 1.00 0.25 C ATOM 1081 O GLU A 73 3.136 1.217 -6.984 1.00 0.32 O ATOM 1082 CB GLU A 73 0.259 1.632 -8.610 1.00 0.33 C ATOM 1083 CG GLU A 73 -0.684 1.350 -9.770 1.00 0.50 C ATOM 1084 CD GLU A 73 0.006 1.200 -11.097 1.00 1.41 C ATOM 1085 OE1 GLU A 73 0.411 2.222 -11.680 1.00 1.82 O ATOM 1086 OE2 GLU A 73 0.131 0.058 -11.597 1.00 2.21 O ATOM 0 H GLU A 73 -0.496 -0.636 -8.185 1.00 0.24 H new ATOM 0 HA GLU A 73 1.957 0.375 -9.073 1.00 0.26 H new ATOM 0 HB2 GLU A 73 -0.339 1.852 -7.726 1.00 0.33 H new ATOM 0 HB3 GLU A 73 0.830 2.532 -8.841 1.00 0.33 H new ATOM 0 HG2 GLU A 73 -1.242 0.438 -9.557 1.00 0.50 H new ATOM 0 HG3 GLU A 73 -1.410 2.160 -9.839 1.00 0.50 H new ATOM 1093 N LEU A 74 1.250 0.774 -5.866 1.00 0.23 N ATOM 1094 CA LEU A 74 1.767 1.162 -4.566 1.00 0.26 C ATOM 1095 C LEU A 74 2.897 0.202 -4.161 1.00 0.25 C ATOM 1096 O LEU A 74 3.952 0.636 -3.691 1.00 0.28 O ATOM 1097 CB LEU A 74 0.591 1.181 -3.538 1.00 0.28 C ATOM 1098 CG LEU A 74 0.803 1.841 -2.139 1.00 0.31 C ATOM 1099 CD1 LEU A 74 1.757 1.062 -1.244 1.00 1.01 C ATOM 1100 CD2 LEU A 74 1.259 3.285 -2.286 1.00 1.11 C ATOM 0 H LEU A 74 0.300 0.404 -5.842 1.00 0.23 H new ATOM 0 HA LEU A 74 2.193 2.165 -4.596 1.00 0.26 H new ATOM 0 HB2 LEU A 74 -0.250 1.686 -4.013 1.00 0.28 H new ATOM 0 HB3 LEU A 74 0.288 0.148 -3.369 1.00 0.28 H new ATOM 0 HG LEU A 74 -0.167 1.823 -1.642 1.00 0.31 H new ATOM 0 HD11 LEU A 74 1.860 1.575 -0.288 1.00 1.01 H new ATOM 0 HD12 LEU A 74 1.363 0.060 -1.077 1.00 1.01 H new ATOM 0 HD13 LEU A 74 2.733 0.993 -1.725 1.00 1.01 H new ATOM 0 HD21 LEU A 74 1.400 3.724 -1.298 1.00 1.11 H new ATOM 0 HD22 LEU A 74 2.200 3.315 -2.835 1.00 1.11 H new ATOM 0 HD23 LEU A 74 0.503 3.852 -2.830 1.00 1.11 H new ATOM 1112 N LEU A 75 2.680 -1.091 -4.369 1.00 0.24 N ATOM 1113 CA LEU A 75 3.691 -2.109 -4.087 1.00 0.28 C ATOM 1114 C LEU A 75 4.948 -1.845 -4.907 1.00 0.28 C ATOM 1115 O LEU A 75 6.079 -1.963 -4.400 1.00 0.30 O ATOM 1116 CB LEU A 75 3.162 -3.512 -4.393 1.00 0.32 C ATOM 1117 CG LEU A 75 4.080 -4.670 -3.991 1.00 0.39 C ATOM 1118 CD1 LEU A 75 4.331 -4.655 -2.493 1.00 0.46 C ATOM 1119 CD2 LEU A 75 3.490 -6.002 -4.416 1.00 0.48 C ATOM 0 H LEU A 75 1.804 -1.464 -4.736 1.00 0.24 H new ATOM 0 HA LEU A 75 3.933 -2.055 -3.026 1.00 0.28 H new ATOM 0 HB2 LEU A 75 2.205 -3.638 -3.886 1.00 0.32 H new ATOM 0 HB3 LEU A 75 2.967 -3.582 -5.463 1.00 0.32 H new ATOM 0 HG LEU A 75 5.033 -4.541 -4.505 1.00 0.39 H new ATOM 0 HD11 LEU A 75 4.985 -5.485 -2.225 1.00 0.46 H new ATOM 0 HD12 LEU A 75 4.805 -3.714 -2.213 1.00 0.46 H new ATOM 0 HD13 LEU A 75 3.383 -4.755 -1.964 1.00 0.46 H new ATOM 0 HD21 LEU A 75 4.161 -6.808 -4.119 1.00 0.48 H new ATOM 0 HD22 LEU A 75 2.521 -6.141 -3.936 1.00 0.48 H new ATOM 0 HD23 LEU A 75 3.364 -6.015 -5.499 1.00 0.48 H new ATOM 1131 N ASP A 76 4.732 -1.493 -6.168 1.00 0.28 N ATOM 1132 CA ASP A 76 5.798 -1.152 -7.113 1.00 0.33 C ATOM 1133 C ASP A 76 6.587 0.040 -6.615 1.00 0.30 C ATOM 1134 O ASP A 76 7.815 0.026 -6.630 1.00 0.32 O ATOM 1135 CB ASP A 76 5.201 -0.849 -8.492 1.00 0.43 C ATOM 1136 CG ASP A 76 6.225 -0.396 -9.506 1.00 0.58 C ATOM 1137 OD1 ASP A 76 6.866 -1.257 -10.163 1.00 0.72 O ATOM 1138 OD2 ASP A 76 6.411 0.821 -9.672 1.00 0.68 O ATOM 0 H ASP A 76 3.798 -1.434 -6.573 1.00 0.28 H new ATOM 0 HA ASP A 76 6.473 -2.004 -7.197 1.00 0.33 H new ATOM 0 HB2 ASP A 76 4.701 -1.742 -8.867 1.00 0.43 H new ATOM 0 HB3 ASP A 76 4.439 -0.077 -8.387 1.00 0.43 H new ATOM 1143 N LEU A 77 5.873 1.043 -6.117 1.00 0.29 N ATOM 1144 CA LEU A 77 6.483 2.260 -5.579 1.00 0.30 C ATOM 1145 C LEU A 77 7.445 1.907 -4.459 1.00 0.28 C ATOM 1146 O LEU A 77 8.602 2.344 -4.462 1.00 0.35 O ATOM 1147 CB LEU A 77 5.404 3.200 -5.027 1.00 0.35 C ATOM 1148 CG LEU A 77 4.392 3.747 -6.016 1.00 0.41 C ATOM 1149 CD1 LEU A 77 3.337 4.542 -5.280 1.00 0.49 C ATOM 1150 CD2 LEU A 77 5.074 4.609 -7.061 1.00 0.45 C ATOM 0 H LEU A 77 4.854 1.038 -6.073 1.00 0.29 H new ATOM 0 HA LEU A 77 7.021 2.758 -6.386 1.00 0.30 H new ATOM 0 HB2 LEU A 77 4.860 2.669 -4.246 1.00 0.35 H new ATOM 0 HB3 LEU A 77 5.902 4.044 -4.551 1.00 0.35 H new ATOM 0 HG LEU A 77 3.915 2.912 -6.528 1.00 0.41 H new ATOM 0 HD11 LEU A 77 2.612 4.933 -5.994 1.00 0.49 H new ATOM 0 HD12 LEU A 77 2.829 3.896 -4.564 1.00 0.49 H new ATOM 0 HD13 LEU A 77 3.809 5.370 -4.751 1.00 0.49 H new ATOM 0 HD21 LEU A 77 4.330 4.991 -7.760 1.00 0.45 H new ATOM 0 HD22 LEU A 77 5.575 5.445 -6.573 1.00 0.45 H new ATOM 0 HD23 LEU A 77 5.808 4.012 -7.603 1.00 0.45 H new ATOM 1162 N ILE A 78 6.970 1.077 -3.539 1.00 0.27 N ATOM 1163 CA ILE A 78 7.764 0.618 -2.406 1.00 0.29 C ATOM 1164 C ILE A 78 8.977 -0.181 -2.916 1.00 0.30 C ATOM 1165 O ILE A 78 10.121 0.160 -2.619 1.00 0.31 O ATOM 1166 CB ILE A 78 6.926 -0.297 -1.471 1.00 0.30 C ATOM 1167 CG1 ILE A 78 5.636 0.404 -0.995 1.00 0.31 C ATOM 1168 CG2 ILE A 78 7.761 -0.723 -0.273 1.00 0.38 C ATOM 1169 CD1 ILE A 78 5.859 1.672 -0.190 1.00 0.38 C ATOM 0 H ILE A 78 6.021 0.702 -3.557 1.00 0.27 H new ATOM 0 HA ILE A 78 8.091 1.494 -1.846 1.00 0.29 H new ATOM 0 HB ILE A 78 6.634 -1.179 -2.042 1.00 0.30 H new ATOM 0 HG12 ILE A 78 5.028 0.646 -1.867 1.00 0.31 H new ATOM 0 HG13 ILE A 78 5.061 -0.297 -0.390 1.00 0.31 H new ATOM 0 HG21 ILE A 78 7.165 -1.364 0.377 1.00 0.38 H new ATOM 0 HG22 ILE A 78 8.638 -1.271 -0.617 1.00 0.38 H new ATOM 0 HG23 ILE A 78 8.079 0.160 0.281 1.00 0.38 H new ATOM 0 HD11 ILE A 78 4.896 2.093 0.100 1.00 0.38 H new ATOM 0 HD12 ILE A 78 6.437 1.438 0.704 1.00 0.38 H new ATOM 0 HD13 ILE A 78 6.404 2.396 -0.795 1.00 0.38 H new ATOM 1181 N ASN A 79 8.699 -1.238 -3.683 1.00 0.34 N ATOM 1182 CA ASN A 79 9.733 -2.136 -4.245 1.00 0.41 C ATOM 1183 C ASN A 79 10.825 -1.378 -4.994 1.00 0.38 C ATOM 1184 O ASN A 79 12.018 -1.656 -4.820 1.00 0.42 O ATOM 1185 CB ASN A 79 9.108 -3.207 -5.162 1.00 0.53 C ATOM 1186 CG ASN A 79 8.625 -4.450 -4.421 1.00 0.50 C ATOM 1187 OD1 ASN A 79 9.341 -5.410 -4.294 1.00 1.18 O ATOM 1188 ND2 ASN A 79 7.431 -4.437 -3.923 1.00 0.63 N ATOM 0 H ASN A 79 7.748 -1.504 -3.938 1.00 0.34 H new ATOM 0 HA ASN A 79 10.201 -2.629 -3.393 1.00 0.41 H new ATOM 0 HB2 ASN A 79 8.268 -2.766 -5.698 1.00 0.53 H new ATOM 0 HB3 ASN A 79 9.843 -3.505 -5.910 1.00 0.53 H new ATOM 0 HD21 ASN A 79 7.082 -5.249 -3.413 1.00 0.63 H new ATOM 0 HD22 ASN A 79 6.838 -3.615 -4.040 1.00 0.63 H new ATOM 1195 N GLY A 80 10.427 -0.425 -5.807 1.00 0.38 N ATOM 1196 CA GLY A 80 11.381 0.366 -6.550 1.00 0.42 C ATOM 1197 C GLY A 80 12.232 1.240 -5.648 1.00 0.38 C ATOM 1198 O GLY A 80 13.457 1.307 -5.814 1.00 0.46 O ATOM 0 H GLY A 80 9.450 -0.180 -5.970 1.00 0.38 H new ATOM 0 HA2 GLY A 80 12.028 -0.296 -7.126 1.00 0.42 H new ATOM 0 HA3 GLY A 80 10.850 0.994 -7.265 1.00 0.42 H new ATOM 1202 N ALA A 81 11.593 1.845 -4.651 1.00 0.31 N ATOM 1203 CA ALA A 81 12.255 2.764 -3.739 1.00 0.32 C ATOM 1204 C ALA A 81 13.224 2.037 -2.826 1.00 0.33 C ATOM 1205 O ALA A 81 14.353 2.470 -2.662 1.00 0.45 O ATOM 1206 CB ALA A 81 11.233 3.533 -2.916 1.00 0.33 C ATOM 0 H ALA A 81 10.601 1.710 -4.455 1.00 0.31 H new ATOM 0 HA ALA A 81 12.825 3.471 -4.341 1.00 0.32 H new ATOM 0 HB1 ALA A 81 11.749 4.215 -2.240 1.00 0.33 H new ATOM 0 HB2 ALA A 81 10.585 4.103 -3.581 1.00 0.33 H new ATOM 0 HB3 ALA A 81 10.632 2.833 -2.336 1.00 0.33 H new ATOM 1212 N LEU A 82 12.783 0.917 -2.263 1.00 0.29 N ATOM 1213 CA LEU A 82 13.609 0.105 -1.369 1.00 0.36 C ATOM 1214 C LEU A 82 14.858 -0.410 -2.055 1.00 0.46 C ATOM 1215 O LEU A 82 15.963 -0.328 -1.502 1.00 0.61 O ATOM 1216 CB LEU A 82 12.804 -1.049 -0.780 1.00 0.42 C ATOM 1217 CG LEU A 82 11.835 -0.677 0.335 1.00 0.55 C ATOM 1218 CD1 LEU A 82 10.992 -1.873 0.744 1.00 0.74 C ATOM 1219 CD2 LEU A 82 12.615 -0.163 1.528 1.00 0.67 C ATOM 0 H LEU A 82 11.845 0.545 -2.412 1.00 0.29 H new ATOM 0 HA LEU A 82 13.931 0.755 -0.555 1.00 0.36 H new ATOM 0 HB2 LEU A 82 12.240 -1.522 -1.584 1.00 0.42 H new ATOM 0 HB3 LEU A 82 13.500 -1.795 -0.397 1.00 0.42 H new ATOM 0 HG LEU A 82 11.165 0.101 -0.030 1.00 0.55 H new ATOM 0 HD11 LEU A 82 10.309 -1.581 1.541 1.00 0.74 H new ATOM 0 HD12 LEU A 82 10.419 -2.225 -0.114 1.00 0.74 H new ATOM 0 HD13 LEU A 82 11.643 -2.673 1.099 1.00 0.74 H new ATOM 0 HD21 LEU A 82 11.924 0.104 2.327 1.00 0.67 H new ATOM 0 HD22 LEU A 82 13.295 -0.939 1.880 1.00 0.67 H new ATOM 0 HD23 LEU A 82 13.189 0.717 1.236 1.00 0.67 H new ATOM 1231 N ALA A 83 14.690 -0.913 -3.271 1.00 0.54 N ATOM 1232 CA ALA A 83 15.804 -1.418 -4.076 1.00 0.69 C ATOM 1233 C ALA A 83 16.767 -0.298 -4.480 1.00 0.73 C ATOM 1234 O ALA A 83 17.861 -0.552 -4.984 1.00 0.84 O ATOM 1235 CB ALA A 83 15.285 -2.120 -5.307 1.00 0.88 C ATOM 0 H ALA A 83 13.782 -0.984 -3.730 1.00 0.54 H new ATOM 0 HA ALA A 83 16.357 -2.128 -3.461 1.00 0.69 H new ATOM 0 HB1 ALA A 83 16.124 -2.490 -5.896 1.00 0.88 H new ATOM 0 HB2 ALA A 83 14.653 -2.957 -5.009 1.00 0.88 H new ATOM 0 HB3 ALA A 83 14.702 -1.421 -5.906 1.00 0.88 H new