USER MOD reduce.3.24.130724 H: found=0, std=0, add=631, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 631 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 55 GLN : amide:sc= 1.06 K(o=1.8,f=-4.7!) USER MOD Set 1.2: A 69 LYS NZ :NH3+ -176:sc= 0.7 (180deg=0) USER MOD Single : A 1 MET CE :methyl 163:sc= 0 (180deg=-0.0171) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 149:sc= 1.16 (180deg=0.488) USER MOD Single : A 14 THR OG1 : rot -57:sc= 0.0885 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 52:sc= 0.436 USER MOD Single : A 24 ASN : amide:sc= 0.225 K(o=0.23,f=-6.1!) USER MOD Single : A 26 ASN : amide:sc= -0.413! C(o=-0.41!,f=-12!) USER MOD Single : A 28 GLN : amide:sc= -0.102 X(o=-0.1,f=-0.046) USER MOD Single : A 38 MET CE :methyl -165:sc= -0.54 (180deg=-1.33) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 47 ASN : amide:sc= 0.426 X(o=0.43,f=0) USER MOD Single : A 63 LYS NZ :NH3+ -171:sc= 1.27 (180deg=0.886) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.778 14.262 6.344 1.00 0.24 N ATOM 2 CA MET A 1 -5.907 13.659 5.299 1.00 31.50 C ATOM 3 C MET A 1 -6.692 12.691 4.400 1.00 12.34 C ATOM 4 O MET A 1 -7.351 11.775 4.887 1.00 5.24 O ATOM 5 CB MET A 1 -4.731 12.911 5.950 1.00 45.13 C ATOM 6 CG MET A 1 -3.817 12.203 4.952 1.00 53.31 C ATOM 7 SD MET A 1 -2.530 11.226 5.756 1.00 32.32 S ATOM 8 CE MET A 1 -1.734 10.468 4.337 1.00 5.10 C ATOM 0 H1 MET A 1 -6.216 14.910 6.933 1.00 0.24 H new ATOM 0 H2 MET A 1 -7.551 14.789 5.890 1.00 0.24 H new ATOM 0 H3 MET A 1 -7.176 13.509 6.941 1.00 0.24 H new ATOM 0 HA MET A 1 -5.528 14.472 4.681 1.00 31.50 H new ATOM 0 HB2 MET A 1 -4.139 13.619 6.530 1.00 45.13 H new ATOM 0 HB3 MET A 1 -5.125 12.176 6.651 1.00 45.13 H new ATOM 0 HG2 MET A 1 -4.416 11.553 4.315 1.00 53.31 H new ATOM 0 HG3 MET A 1 -3.352 12.945 4.302 1.00 53.31 H new ATOM 0 HE1 MET A 1 -0.756 10.087 4.629 1.00 5.10 H new ATOM 0 HE2 MET A 1 -2.349 9.646 3.971 1.00 5.10 H new ATOM 0 HE3 MET A 1 -1.613 11.210 3.548 1.00 5.10 H new ATOM 20 N ASP A 2 -6.613 12.905 3.088 1.00 41.24 N ATOM 21 CA ASP A 2 -7.215 12.000 2.105 1.00 61.53 C ATOM 22 C ASP A 2 -6.244 11.765 0.937 1.00 61.04 C ATOM 23 O ASP A 2 -5.446 12.642 0.596 1.00 52.13 O ATOM 24 CB ASP A 2 -8.544 12.577 1.601 1.00 64.35 C ATOM 25 CG ASP A 2 -9.279 11.634 0.663 1.00 43.11 C ATOM 26 OD1 ASP A 2 -9.512 10.470 1.051 1.00 12.30 O ATOM 27 OD2 ASP A 2 -9.644 12.056 -0.453 1.00 73.13 O ATOM 0 H ASP A 2 -6.133 13.705 2.676 1.00 41.24 H new ATOM 0 HA ASP A 2 -7.416 11.041 2.582 1.00 61.53 H new ATOM 0 HB2 ASP A 2 -9.183 12.804 2.454 1.00 64.35 H new ATOM 0 HB3 ASP A 2 -8.354 13.519 1.086 1.00 64.35 H new ATOM 32 N VAL A 3 -6.307 10.583 0.329 1.00 62.31 N ATOM 33 CA VAL A 3 -5.339 10.196 -0.706 1.00 3.04 C ATOM 34 C VAL A 3 -5.974 10.100 -2.099 1.00 1.13 C ATOM 35 O VAL A 3 -7.011 9.461 -2.290 1.00 41.22 O ATOM 36 CB VAL A 3 -4.662 8.851 -0.353 1.00 50.25 C ATOM 37 CG1 VAL A 3 -3.700 8.405 -1.459 1.00 22.11 C ATOM 38 CG2 VAL A 3 -3.935 8.968 0.983 1.00 14.04 C ATOM 0 H VAL A 3 -7.014 9.876 0.531 1.00 62.31 H new ATOM 0 HA VAL A 3 -4.589 10.986 -0.735 1.00 3.04 H new ATOM 0 HB VAL A 3 -5.437 8.089 -0.267 1.00 50.25 H new ATOM 0 HG11 VAL A 3 -3.240 7.457 -1.181 1.00 22.11 H new ATOM 0 HG12 VAL A 3 -4.250 8.282 -2.392 1.00 22.11 H new ATOM 0 HG13 VAL A 3 -2.924 9.159 -1.592 1.00 22.11 H new ATOM 0 HG21 VAL A 3 -3.461 8.016 1.224 1.00 14.04 H new ATOM 0 HG22 VAL A 3 -3.174 9.746 0.916 1.00 14.04 H new ATOM 0 HG23 VAL A 3 -4.650 9.226 1.765 1.00 14.04 H new ATOM 48 N GLU A 4 -5.330 10.742 -3.068 1.00 4.12 N ATOM 49 CA GLU A 4 -5.777 10.720 -4.464 1.00 53.14 C ATOM 50 C GLU A 4 -4.892 9.788 -5.313 1.00 13.24 C ATOM 51 O GLU A 4 -3.710 9.603 -5.013 1.00 51.40 O ATOM 52 CB GLU A 4 -5.723 12.140 -5.033 1.00 24.42 C ATOM 53 CG GLU A 4 -6.568 13.147 -4.264 1.00 4.41 C ATOM 54 CD GLU A 4 -6.265 14.577 -4.668 1.00 51.24 C ATOM 55 OE1 GLU A 4 -6.850 15.051 -5.666 1.00 52.12 O ATOM 56 OE2 GLU A 4 -5.426 15.223 -4.002 1.00 75.41 O ATOM 0 H GLU A 4 -4.485 11.292 -2.913 1.00 4.12 H new ATOM 0 HA GLU A 4 -6.799 10.343 -4.497 1.00 53.14 H new ATOM 0 HB2 GLU A 4 -4.687 12.479 -5.039 1.00 24.42 H new ATOM 0 HB3 GLU A 4 -6.057 12.118 -6.070 1.00 24.42 H new ATOM 0 HG2 GLU A 4 -7.624 12.939 -4.436 1.00 4.41 H new ATOM 0 HG3 GLU A 4 -6.389 13.028 -3.195 1.00 4.41 H new ATOM 63 N PRO A 5 -5.442 9.206 -6.396 1.00 74.33 N ATOM 64 CA PRO A 5 -4.683 8.300 -7.277 1.00 5.54 C ATOM 65 C PRO A 5 -3.540 9.014 -8.024 1.00 23.12 C ATOM 66 O PRO A 5 -3.775 9.932 -8.811 1.00 0.32 O ATOM 67 CB PRO A 5 -5.748 7.787 -8.260 1.00 41.42 C ATOM 68 CG PRO A 5 -6.816 8.830 -8.249 1.00 42.32 C ATOM 69 CD PRO A 5 -6.836 9.385 -6.852 1.00 33.40 C ATOM 0 HA PRO A 5 -4.187 7.508 -6.716 1.00 5.54 H new ATOM 0 HB2 PRO A 5 -5.333 7.657 -9.260 1.00 41.42 H new ATOM 0 HB3 PRO A 5 -6.139 6.818 -7.949 1.00 41.42 H new ATOM 0 HG2 PRO A 5 -6.605 9.613 -8.977 1.00 42.32 H new ATOM 0 HG3 PRO A 5 -7.783 8.402 -8.513 1.00 42.32 H new ATOM 0 HD2 PRO A 5 -7.132 10.434 -6.840 1.00 33.40 H new ATOM 0 HD3 PRO A 5 -7.540 8.848 -6.216 1.00 33.40 H new ATOM 77 N GLY A 6 -2.301 8.588 -7.773 1.00 13.22 N ATOM 78 CA GLY A 6 -1.139 9.215 -8.402 1.00 24.34 C ATOM 79 C GLY A 6 -0.279 10.022 -7.429 1.00 42.31 C ATOM 80 O GLY A 6 0.817 10.466 -7.782 1.00 62.23 O ATOM 0 H GLY A 6 -2.078 7.817 -7.143 1.00 13.22 H new ATOM 0 HA2 GLY A 6 -0.524 8.442 -8.863 1.00 24.34 H new ATOM 0 HA3 GLY A 6 -1.479 9.871 -9.203 1.00 24.34 H new ATOM 84 N LYS A 7 -0.771 10.211 -6.206 1.00 32.14 N ATOM 85 CA LYS A 7 -0.047 10.985 -5.187 1.00 1.32 C ATOM 86 C LYS A 7 0.981 10.125 -4.431 1.00 71.24 C ATOM 87 O LYS A 7 0.874 8.897 -4.388 1.00 35.22 O ATOM 88 CB LYS A 7 -1.043 11.615 -4.201 1.00 2.04 C ATOM 89 CG LYS A 7 -2.014 12.597 -4.852 1.00 43.45 C ATOM 90 CD LYS A 7 -1.276 13.757 -5.513 1.00 45.31 C ATOM 91 CE LYS A 7 -2.217 14.672 -6.288 1.00 42.44 C ATOM 92 NZ LYS A 7 -1.480 15.775 -6.956 1.00 12.32 N ATOM 0 H LYS A 7 -1.668 9.841 -5.892 1.00 32.14 H new ATOM 0 HA LYS A 7 0.504 11.773 -5.700 1.00 1.32 H new ATOM 0 HB2 LYS A 7 -1.613 10.822 -3.717 1.00 2.04 H new ATOM 0 HB3 LYS A 7 -0.488 12.132 -3.418 1.00 2.04 H new ATOM 0 HG2 LYS A 7 -2.616 12.076 -5.596 1.00 43.45 H new ATOM 0 HG3 LYS A 7 -2.702 12.983 -4.100 1.00 43.45 H new ATOM 0 HD2 LYS A 7 -0.756 14.336 -4.750 1.00 45.31 H new ATOM 0 HD3 LYS A 7 -0.516 13.364 -6.188 1.00 45.31 H new ATOM 0 HE2 LYS A 7 -2.758 14.090 -7.035 1.00 42.44 H new ATOM 0 HE3 LYS A 7 -2.961 15.089 -5.609 1.00 42.44 H new ATOM 0 HZ1 LYS A 7 -2.151 16.377 -7.474 1.00 12.32 H new ATOM 0 HZ2 LYS A 7 -0.984 16.344 -6.241 1.00 12.32 H new ATOM 0 HZ3 LYS A 7 -0.788 15.377 -7.622 1.00 12.32 H new ATOM 106 N PHE A 8 1.973 10.786 -3.827 1.00 73.20 N ATOM 107 CA PHE A 8 3.062 10.099 -3.112 1.00 61.33 C ATOM 108 C PHE A 8 2.875 10.173 -1.587 1.00 55.51 C ATOM 109 O PHE A 8 2.672 11.255 -1.036 1.00 25.24 O ATOM 110 CB PHE A 8 4.410 10.732 -3.489 1.00 11.32 C ATOM 111 CG PHE A 8 4.723 10.660 -4.963 1.00 52.31 C ATOM 112 CD1 PHE A 8 4.212 11.602 -5.846 1.00 24.24 C ATOM 113 CD2 PHE A 8 5.524 9.651 -5.464 1.00 22.00 C ATOM 114 CE1 PHE A 8 4.501 11.534 -7.197 1.00 21.12 C ATOM 115 CE2 PHE A 8 5.816 9.579 -6.810 1.00 34.12 C ATOM 116 CZ PHE A 8 5.303 10.518 -7.677 1.00 2.14 C ATOM 0 H PHE A 8 2.047 11.803 -3.817 1.00 73.20 H new ATOM 0 HA PHE A 8 3.043 9.050 -3.407 1.00 61.33 H new ATOM 0 HB2 PHE A 8 4.411 11.776 -3.177 1.00 11.32 H new ATOM 0 HB3 PHE A 8 5.204 10.233 -2.933 1.00 11.32 H new ATOM 0 HD1 PHE A 8 3.582 12.396 -5.474 1.00 24.24 H new ATOM 0 HD2 PHE A 8 5.927 8.908 -4.792 1.00 22.00 H new ATOM 0 HE1 PHE A 8 4.100 12.274 -7.874 1.00 21.12 H new ATOM 0 HE2 PHE A 8 6.447 8.786 -7.184 1.00 34.12 H new ATOM 0 HZ PHE A 8 5.528 10.460 -8.732 1.00 2.14 H new ATOM 126 N TYR A 9 2.948 9.023 -0.909 1.00 43.21 N ATOM 127 CA TYR A 9 2.821 8.967 0.559 1.00 53.13 C ATOM 128 C TYR A 9 3.628 7.800 1.154 1.00 3.30 C ATOM 129 O TYR A 9 3.939 6.826 0.468 1.00 25.31 O ATOM 130 CB TYR A 9 1.347 8.813 0.978 1.00 50.43 C ATOM 131 CG TYR A 9 0.470 10.007 0.646 1.00 51.34 C ATOM 132 CD1 TYR A 9 0.481 11.143 1.449 1.00 2.24 C ATOM 133 CD2 TYR A 9 -0.368 9.999 -0.465 1.00 13.35 C ATOM 134 CE1 TYR A 9 -0.313 12.234 1.153 1.00 54.44 C ATOM 135 CE2 TYR A 9 -1.163 11.088 -0.765 1.00 71.44 C ATOM 136 CZ TYR A 9 -1.133 12.201 0.046 1.00 33.51 C ATOM 137 OH TYR A 9 -1.933 13.286 -0.246 1.00 41.02 O ATOM 0 H TYR A 9 3.094 8.115 -1.350 1.00 43.21 H new ATOM 0 HA TYR A 9 3.218 9.906 0.945 1.00 53.13 H new ATOM 0 HB2 TYR A 9 0.935 7.929 0.492 1.00 50.43 H new ATOM 0 HB3 TYR A 9 1.305 8.635 2.052 1.00 50.43 H new ATOM 0 HD1 TYR A 9 1.121 11.172 2.318 1.00 2.24 H new ATOM 0 HD2 TYR A 9 -0.397 9.128 -1.103 1.00 13.35 H new ATOM 0 HE1 TYR A 9 -0.291 13.109 1.786 1.00 54.44 H new ATOM 0 HE2 TYR A 9 -1.806 11.067 -1.633 1.00 71.44 H new ATOM 0 HH TYR A 9 -2.449 13.103 -1.059 1.00 41.02 H new ATOM 147 N LYS A 10 3.973 7.909 2.437 1.00 73.13 N ATOM 148 CA LYS A 10 4.540 6.779 3.176 1.00 32.32 C ATOM 149 C LYS A 10 3.416 5.917 3.761 1.00 1.24 C ATOM 150 O LYS A 10 2.404 6.440 4.232 1.00 51.14 O ATOM 151 CB LYS A 10 5.448 7.251 4.320 1.00 22.41 C ATOM 152 CG LYS A 10 5.953 6.096 5.192 1.00 5.44 C ATOM 153 CD LYS A 10 6.571 6.570 6.504 1.00 31.23 C ATOM 154 CE LYS A 10 7.896 7.289 6.297 1.00 60.13 C ATOM 155 NZ LYS A 10 8.542 7.623 7.594 1.00 35.32 N ATOM 0 H LYS A 10 3.871 8.763 2.985 1.00 73.13 H new ATOM 0 HA LYS A 10 5.137 6.196 2.474 1.00 32.32 H new ATOM 0 HB2 LYS A 10 6.301 7.786 3.903 1.00 22.41 H new ATOM 0 HB3 LYS A 10 4.902 7.959 4.943 1.00 22.41 H new ATOM 0 HG2 LYS A 10 5.124 5.422 5.409 1.00 5.44 H new ATOM 0 HG3 LYS A 10 6.693 5.522 4.634 1.00 5.44 H new ATOM 0 HD2 LYS A 10 5.874 7.238 7.010 1.00 31.23 H new ATOM 0 HD3 LYS A 10 6.725 5.713 7.160 1.00 31.23 H new ATOM 0 HE2 LYS A 10 8.564 6.661 5.707 1.00 60.13 H new ATOM 0 HE3 LYS A 10 7.730 8.202 5.726 1.00 60.13 H new ATOM 0 HZ1 LYS A 10 9.576 7.609 7.481 1.00 35.32 H new ATOM 0 HZ2 LYS A 10 8.240 8.570 7.899 1.00 35.32 H new ATOM 0 HZ3 LYS A 10 8.263 6.923 8.311 1.00 35.32 H new ATOM 169 N GLY A 11 3.599 4.607 3.739 1.00 62.02 N ATOM 170 CA GLY A 11 2.622 3.704 4.326 1.00 13.35 C ATOM 171 C GLY A 11 3.250 2.672 5.251 1.00 74.04 C ATOM 172 O GLY A 11 4.393 2.265 5.056 1.00 44.31 O ATOM 0 H GLY A 11 4.409 4.147 3.324 1.00 62.02 H new ATOM 0 HA2 GLY A 11 1.887 4.285 4.884 1.00 13.35 H new ATOM 0 HA3 GLY A 11 2.084 3.191 3.529 1.00 13.35 H new ATOM 176 N VAL A 12 2.501 2.244 6.260 1.00 34.50 N ATOM 177 CA VAL A 12 2.982 1.220 7.191 1.00 35.54 C ATOM 178 C VAL A 12 2.229 -0.111 6.995 1.00 31.31 C ATOM 179 O VAL A 12 0.996 -0.145 6.946 1.00 41.12 O ATOM 180 CB VAL A 12 2.862 1.691 8.666 1.00 42.21 C ATOM 181 CG1 VAL A 12 1.406 1.956 9.054 1.00 53.52 C ATOM 182 CG2 VAL A 12 3.511 0.681 9.610 1.00 23.01 C ATOM 0 H VAL A 12 1.561 2.586 6.458 1.00 34.50 H new ATOM 0 HA VAL A 12 4.037 1.056 6.970 1.00 35.54 H new ATOM 0 HB VAL A 12 3.398 2.635 8.759 1.00 42.21 H new ATOM 0 HG11 VAL A 12 1.360 2.284 10.093 1.00 53.52 H new ATOM 0 HG12 VAL A 12 0.993 2.732 8.410 1.00 53.52 H new ATOM 0 HG13 VAL A 12 0.826 1.041 8.936 1.00 53.52 H new ATOM 0 HG21 VAL A 12 3.416 1.030 10.638 1.00 23.01 H new ATOM 0 HG22 VAL A 12 3.015 -0.284 9.507 1.00 23.01 H new ATOM 0 HG23 VAL A 12 4.566 0.575 9.359 1.00 23.01 H new ATOM 192 N VAL A 13 2.983 -1.200 6.860 1.00 63.33 N ATOM 193 CA VAL A 13 2.399 -2.527 6.628 1.00 63.32 C ATOM 194 C VAL A 13 1.679 -3.071 7.875 1.00 4.15 C ATOM 195 O VAL A 13 2.245 -3.106 8.971 1.00 74.33 O ATOM 196 CB VAL A 13 3.480 -3.543 6.183 1.00 31.44 C ATOM 197 CG1 VAL A 13 2.860 -4.912 5.909 1.00 43.41 C ATOM 198 CG2 VAL A 13 4.230 -3.031 4.954 1.00 53.13 C ATOM 0 H VAL A 13 4.002 -1.193 6.907 1.00 63.33 H new ATOM 0 HA VAL A 13 1.665 -2.404 5.832 1.00 63.32 H new ATOM 0 HB VAL A 13 4.197 -3.654 6.997 1.00 31.44 H new ATOM 0 HG11 VAL A 13 3.639 -5.608 5.598 1.00 43.41 H new ATOM 0 HG12 VAL A 13 2.382 -5.283 6.816 1.00 43.41 H new ATOM 0 HG13 VAL A 13 2.116 -4.823 5.117 1.00 43.41 H new ATOM 0 HG21 VAL A 13 4.985 -3.760 4.658 1.00 53.13 H new ATOM 0 HG22 VAL A 13 3.527 -2.883 4.134 1.00 53.13 H new ATOM 0 HG23 VAL A 13 4.714 -2.084 5.192 1.00 53.13 H new ATOM 208 N THR A 14 0.431 -3.500 7.695 1.00 1.34 N ATOM 209 CA THR A 14 -0.363 -4.078 8.788 1.00 43.33 C ATOM 210 C THR A 14 -0.227 -5.606 8.832 1.00 44.12 C ATOM 211 O THR A 14 0.097 -6.181 9.873 1.00 0.43 O ATOM 212 CB THR A 14 -1.866 -3.723 8.651 1.00 11.31 C ATOM 213 OG1 THR A 14 -2.413 -4.334 7.472 1.00 32.23 O ATOM 214 CG2 THR A 14 -2.067 -2.212 8.581 1.00 60.54 C ATOM 0 H THR A 14 -0.057 -3.460 6.800 1.00 1.34 H new ATOM 0 HA THR A 14 0.028 -3.649 9.711 1.00 43.33 H new ATOM 0 HB THR A 14 -2.383 -4.103 9.532 1.00 11.31 H new ATOM 0 HG1 THR A 14 -1.900 -4.048 6.687 1.00 32.23 H new ATOM 0 HG21 THR A 14 -3.130 -1.990 8.485 1.00 60.54 H new ATOM 0 HG22 THR A 14 -1.681 -1.751 9.490 1.00 60.54 H new ATOM 0 HG23 THR A 14 -1.534 -1.814 7.718 1.00 60.54 H new ATOM 222 N ARG A 15 -0.485 -6.263 7.700 1.00 43.13 N ATOM 223 CA ARG A 15 -0.391 -7.729 7.610 1.00 15.34 C ATOM 224 C ARG A 15 0.081 -8.196 6.223 1.00 11.33 C ATOM 225 O ARG A 15 -0.165 -7.536 5.210 1.00 22.30 O ATOM 226 CB ARG A 15 -1.747 -8.369 7.948 1.00 33.03 C ATOM 227 CG ARG A 15 -2.913 -7.841 7.114 1.00 3.45 C ATOM 228 CD ARG A 15 -4.205 -8.587 7.427 1.00 73.13 C ATOM 229 NE ARG A 15 -5.369 -7.990 6.768 1.00 4.20 N ATOM 230 CZ ARG A 15 -6.194 -8.646 5.996 1.00 5.44 C ATOM 231 NH1 ARG A 15 -5.951 -9.871 5.667 1.00 73.44 N ATOM 232 NH2 ARG A 15 -7.248 -8.065 5.526 1.00 24.02 N ATOM 0 H ARG A 15 -0.761 -5.807 6.830 1.00 43.13 H new ATOM 0 HA ARG A 15 0.356 -8.052 8.336 1.00 15.34 H new ATOM 0 HB2 ARG A 15 -1.673 -9.447 7.807 1.00 33.03 H new ATOM 0 HB3 ARG A 15 -1.963 -8.200 9.003 1.00 33.03 H new ATOM 0 HG2 ARG A 15 -3.049 -6.777 7.309 1.00 3.45 H new ATOM 0 HG3 ARG A 15 -2.680 -7.943 6.054 1.00 3.45 H new ATOM 0 HD2 ARG A 15 -4.106 -9.626 7.113 1.00 73.13 H new ATOM 0 HD3 ARG A 15 -4.365 -8.594 8.505 1.00 73.13 H new ATOM 0 HE ARG A 15 -5.547 -6.998 6.922 1.00 4.20 H new ATOM 0 HH11 ARG A 15 -5.109 -10.334 6.010 1.00 73.44 H new ATOM 0 HH12 ARG A 15 -6.601 -10.376 5.064 1.00 73.44 H new ATOM 0 HH21 ARG A 15 -7.439 -7.090 5.757 1.00 24.02 H new ATOM 0 HH22 ARG A 15 -7.889 -8.581 4.924 1.00 24.02 H new ATOM 246 N ILE A 16 0.754 -9.348 6.192 1.00 44.21 N ATOM 247 CA ILE A 16 1.295 -9.910 4.948 1.00 33.04 C ATOM 248 C ILE A 16 0.335 -10.944 4.336 1.00 11.03 C ATOM 249 O ILE A 16 -0.014 -11.940 4.975 1.00 22.15 O ATOM 250 CB ILE A 16 2.674 -10.582 5.188 1.00 14.53 C ATOM 251 CG1 ILE A 16 3.657 -9.581 5.818 1.00 70.21 C ATOM 252 CG2 ILE A 16 3.238 -11.149 3.883 1.00 42.30 C ATOM 253 CD1 ILE A 16 3.888 -8.337 4.984 1.00 1.03 C ATOM 0 H ILE A 16 0.939 -9.915 7.019 1.00 44.21 H new ATOM 0 HA ILE A 16 1.415 -9.079 4.253 1.00 33.04 H new ATOM 0 HB ILE A 16 2.535 -11.411 5.882 1.00 14.53 H new ATOM 0 HG12 ILE A 16 3.281 -9.285 6.797 1.00 70.21 H new ATOM 0 HG13 ILE A 16 4.613 -10.079 5.981 1.00 70.21 H new ATOM 0 HG21 ILE A 16 4.204 -11.615 4.076 1.00 42.30 H new ATOM 0 HG22 ILE A 16 2.550 -11.894 3.482 1.00 42.30 H new ATOM 0 HG23 ILE A 16 3.362 -10.343 3.160 1.00 42.30 H new ATOM 0 HD11 ILE A 16 4.593 -7.681 5.496 1.00 1.03 H new ATOM 0 HD12 ILE A 16 4.295 -8.620 4.013 1.00 1.03 H new ATOM 0 HD13 ILE A 16 2.943 -7.813 4.842 1.00 1.03 H new ATOM 265 N GLU A 17 -0.080 -10.703 3.096 1.00 11.30 N ATOM 266 CA GLU A 17 -1.026 -11.578 2.393 1.00 43.32 C ATOM 267 C GLU A 17 -0.341 -12.368 1.263 1.00 23.33 C ATOM 268 O GLU A 17 0.755 -12.029 0.821 1.00 11.25 O ATOM 269 CB GLU A 17 -2.162 -10.731 1.800 1.00 55.42 C ATOM 270 CG GLU A 17 -2.990 -9.978 2.835 1.00 32.44 C ATOM 271 CD GLU A 17 -3.840 -10.898 3.694 1.00 4.21 C ATOM 272 OE1 GLU A 17 -4.761 -11.540 3.147 1.00 43.53 O ATOM 273 OE2 GLU A 17 -3.596 -10.993 4.915 1.00 43.40 O ATOM 0 H GLU A 17 0.226 -9.899 2.547 1.00 11.30 H new ATOM 0 HA GLU A 17 -1.420 -12.293 3.115 1.00 43.32 H new ATOM 0 HB2 GLU A 17 -1.736 -10.012 1.100 1.00 55.42 H new ATOM 0 HB3 GLU A 17 -2.823 -11.381 1.227 1.00 55.42 H new ATOM 0 HG2 GLU A 17 -2.323 -9.402 3.477 1.00 32.44 H new ATOM 0 HG3 GLU A 17 -3.637 -9.264 2.326 1.00 32.44 H new ATOM 280 N LYS A 18 -1.013 -13.414 0.788 1.00 31.13 N ATOM 281 CA LYS A 18 -0.529 -14.203 -0.355 1.00 52.44 C ATOM 282 C LYS A 18 -0.610 -13.392 -1.664 1.00 21.41 C ATOM 283 O LYS A 18 0.036 -13.721 -2.661 1.00 14.33 O ATOM 284 CB LYS A 18 -1.365 -15.486 -0.493 1.00 32.20 C ATOM 285 CG LYS A 18 -1.340 -16.386 0.744 1.00 60.20 C ATOM 286 CD LYS A 18 -2.352 -17.526 0.636 1.00 33.33 C ATOM 287 CE LYS A 18 -3.785 -17.003 0.563 1.00 74.32 C ATOM 288 NZ LYS A 18 -4.786 -18.103 0.516 1.00 61.14 N ATOM 0 H LYS A 18 -1.898 -13.740 1.175 1.00 31.13 H new ATOM 0 HA LYS A 18 0.514 -14.460 -0.173 1.00 52.44 H new ATOM 0 HB2 LYS A 18 -2.398 -15.212 -0.709 1.00 32.20 H new ATOM 0 HB3 LYS A 18 -1.000 -16.054 -1.349 1.00 32.20 H new ATOM 0 HG2 LYS A 18 -0.340 -16.799 0.873 1.00 60.20 H new ATOM 0 HG3 LYS A 18 -1.556 -15.791 1.631 1.00 60.20 H new ATOM 0 HD2 LYS A 18 -2.136 -18.122 -0.251 1.00 33.33 H new ATOM 0 HD3 LYS A 18 -2.249 -18.187 1.497 1.00 33.33 H new ATOM 0 HE2 LYS A 18 -3.983 -16.371 1.429 1.00 74.32 H new ATOM 0 HE3 LYS A 18 -3.896 -16.376 -0.322 1.00 74.32 H new ATOM 0 HZ1 LYS A 18 -5.743 -17.699 0.467 1.00 61.14 H new ATOM 0 HZ2 LYS A 18 -4.615 -18.692 -0.324 1.00 61.14 H new ATOM 0 HZ3 LYS A 18 -4.700 -18.687 1.372 1.00 61.14 H new ATOM 302 N TYR A 19 -1.417 -12.331 -1.646 1.00 73.30 N ATOM 303 CA TYR A 19 -1.647 -11.489 -2.830 1.00 1.34 C ATOM 304 C TYR A 19 -1.159 -10.045 -2.607 1.00 63.24 C ATOM 305 O TYR A 19 -1.575 -9.122 -3.308 1.00 41.50 O ATOM 306 CB TYR A 19 -3.143 -11.497 -3.184 1.00 71.33 C ATOM 307 CG TYR A 19 -4.049 -11.140 -2.016 1.00 10.42 C ATOM 308 CD1 TYR A 19 -4.503 -12.122 -1.138 1.00 2.50 C ATOM 309 CD2 TYR A 19 -4.449 -9.824 -1.786 1.00 2.23 C ATOM 310 CE1 TYR A 19 -5.321 -11.807 -0.074 1.00 52.32 C ATOM 311 CE2 TYR A 19 -5.269 -9.503 -0.721 1.00 55.51 C ATOM 312 CZ TYR A 19 -5.702 -10.497 0.131 1.00 4.24 C ATOM 313 OH TYR A 19 -6.519 -10.182 1.195 1.00 22.22 O ATOM 0 H TYR A 19 -1.929 -12.029 -0.817 1.00 73.30 H new ATOM 0 HA TYR A 19 -1.072 -11.903 -3.658 1.00 1.34 H new ATOM 0 HB2 TYR A 19 -3.319 -10.793 -3.997 1.00 71.33 H new ATOM 0 HB3 TYR A 19 -3.415 -12.486 -3.554 1.00 71.33 H new ATOM 0 HD1 TYR A 19 -4.209 -13.149 -1.294 1.00 2.50 H new ATOM 0 HD2 TYR A 19 -4.112 -9.043 -2.451 1.00 2.23 H new ATOM 0 HE1 TYR A 19 -5.662 -12.582 0.596 1.00 52.32 H new ATOM 0 HE2 TYR A 19 -5.569 -8.479 -0.557 1.00 55.51 H new ATOM 0 HH TYR A 19 -6.143 -10.558 2.018 1.00 22.22 H new ATOM 323 N GLY A 20 -0.266 -9.856 -1.636 1.00 42.51 N ATOM 324 CA GLY A 20 0.270 -8.525 -1.347 1.00 35.14 C ATOM 325 C GLY A 20 0.341 -8.228 0.143 1.00 22.30 C ATOM 326 O GLY A 20 0.509 -9.133 0.952 1.00 41.33 O ATOM 0 H GLY A 20 0.099 -10.600 -1.041 1.00 42.51 H new ATOM 0 HA2 GLY A 20 1.268 -8.439 -1.778 1.00 35.14 H new ATOM 0 HA3 GLY A 20 -0.353 -7.774 -1.833 1.00 35.14 H new ATOM 330 N ALA A 21 0.233 -6.956 0.508 1.00 42.21 N ATOM 331 CA ALA A 21 0.219 -6.556 1.922 1.00 24.44 C ATOM 332 C ALA A 21 -0.692 -5.341 2.152 1.00 54.42 C ATOM 333 O ALA A 21 -0.645 -4.372 1.396 1.00 3.14 O ATOM 334 CB ALA A 21 1.639 -6.255 2.397 1.00 72.23 C ATOM 0 H ALA A 21 0.154 -6.180 -0.150 1.00 42.21 H new ATOM 0 HA ALA A 21 -0.182 -7.386 2.503 1.00 24.44 H new ATOM 0 HB1 ALA A 21 1.617 -5.960 3.446 1.00 72.23 H new ATOM 0 HB2 ALA A 21 2.257 -7.146 2.284 1.00 72.23 H new ATOM 0 HB3 ALA A 21 2.058 -5.445 1.801 1.00 72.23 H new ATOM 340 N PHE A 22 -1.522 -5.393 3.194 1.00 3.51 N ATOM 341 CA PHE A 22 -2.385 -4.255 3.543 1.00 71.24 C ATOM 342 C PHE A 22 -1.577 -3.160 4.249 1.00 53.42 C ATOM 343 O PHE A 22 -0.753 -3.448 5.120 1.00 61.23 O ATOM 344 CB PHE A 22 -3.561 -4.706 4.424 1.00 23.11 C ATOM 345 CG PHE A 22 -4.629 -5.451 3.659 1.00 62.14 C ATOM 346 CD1 PHE A 22 -4.512 -6.811 3.412 1.00 13.42 C ATOM 347 CD2 PHE A 22 -5.750 -4.782 3.182 1.00 53.11 C ATOM 348 CE1 PHE A 22 -5.488 -7.487 2.704 1.00 2.34 C ATOM 349 CE2 PHE A 22 -6.728 -5.457 2.475 1.00 10.31 C ATOM 350 CZ PHE A 22 -6.596 -6.808 2.237 1.00 60.14 C ATOM 0 H PHE A 22 -1.618 -6.201 3.809 1.00 3.51 H new ATOM 0 HA PHE A 22 -2.790 -3.845 2.618 1.00 71.24 H new ATOM 0 HB2 PHE A 22 -3.184 -5.345 5.223 1.00 23.11 H new ATOM 0 HB3 PHE A 22 -4.007 -3.832 4.899 1.00 23.11 H new ATOM 0 HD1 PHE A 22 -3.649 -7.348 3.777 1.00 13.42 H new ATOM 0 HD2 PHE A 22 -5.858 -3.723 3.366 1.00 53.11 H new ATOM 0 HE1 PHE A 22 -5.384 -8.545 2.516 1.00 2.34 H new ATOM 0 HE2 PHE A 22 -7.595 -4.926 2.110 1.00 10.31 H new ATOM 0 HZ PHE A 22 -7.360 -7.336 1.685 1.00 60.14 H new ATOM 360 N ILE A 23 -1.809 -1.904 3.867 1.00 23.11 N ATOM 361 CA ILE A 23 -0.993 -0.783 4.354 1.00 3.12 C ATOM 362 C ILE A 23 -1.843 0.444 4.735 1.00 41.20 C ATOM 363 O ILE A 23 -2.830 0.768 4.070 1.00 21.33 O ATOM 364 CB ILE A 23 0.060 -0.368 3.286 1.00 72.24 C ATOM 365 CG1 ILE A 23 1.128 -1.465 3.124 1.00 43.32 C ATOM 366 CG2 ILE A 23 0.711 0.971 3.629 1.00 34.40 C ATOM 367 CD1 ILE A 23 2.204 -1.134 2.109 1.00 71.11 C ATOM 0 H ILE A 23 -2.553 -1.634 3.223 1.00 23.11 H new ATOM 0 HA ILE A 23 -0.490 -1.134 5.255 1.00 3.12 H new ATOM 0 HB ILE A 23 -0.462 -0.247 2.337 1.00 72.24 H new ATOM 0 HG12 ILE A 23 1.598 -1.645 4.091 1.00 43.32 H new ATOM 0 HG13 ILE A 23 0.639 -2.393 2.829 1.00 43.32 H new ATOM 0 HG21 ILE A 23 1.441 1.228 2.861 1.00 34.40 H new ATOM 0 HG22 ILE A 23 -0.054 1.746 3.677 1.00 34.40 H new ATOM 0 HG23 ILE A 23 1.212 0.895 4.594 1.00 34.40 H new ATOM 0 HD11 ILE A 23 2.917 -1.956 2.054 1.00 71.11 H new ATOM 0 HD12 ILE A 23 1.747 -0.983 1.131 1.00 71.11 H new ATOM 0 HD13 ILE A 23 2.722 -0.224 2.412 1.00 71.11 H new ATOM 379 N ASN A 24 -1.444 1.122 5.814 1.00 41.15 N ATOM 380 CA ASN A 24 -2.083 2.375 6.237 1.00 74.40 C ATOM 381 C ASN A 24 -1.194 3.584 5.895 1.00 61.33 C ATOM 382 O ASN A 24 -0.038 3.647 6.319 1.00 24.12 O ATOM 383 CB ASN A 24 -2.339 2.369 7.752 1.00 55.24 C ATOM 384 CG ASN A 24 -3.221 1.225 8.214 1.00 71.11 C ATOM 385 OD1 ASN A 24 -4.079 0.745 7.488 1.00 33.42 O ATOM 386 ND2 ASN A 24 -3.019 0.782 9.438 1.00 12.51 N ATOM 0 H ASN A 24 -0.676 0.823 6.416 1.00 41.15 H new ATOM 0 HA ASN A 24 -3.030 2.455 5.704 1.00 74.40 H new ATOM 0 HB2 ASN A 24 -1.383 2.313 8.273 1.00 55.24 H new ATOM 0 HB3 ASN A 24 -2.803 3.313 8.037 1.00 55.24 H new ATOM 0 HD21 ASN A 24 -3.587 0.018 9.804 1.00 12.51 H new ATOM 0 HD22 ASN A 24 -2.295 1.203 10.020 1.00 12.51 H new ATOM 393 N LEU A 25 -1.724 4.539 5.129 1.00 71.52 N ATOM 394 CA LEU A 25 -1.018 5.810 4.891 1.00 41.14 C ATOM 395 C LEU A 25 -1.288 6.786 6.047 1.00 11.04 C ATOM 396 O LEU A 25 -0.590 7.784 6.231 1.00 34.21 O ATOM 397 CB LEU A 25 -1.458 6.446 3.562 1.00 72.24 C ATOM 398 CG LEU A 25 -1.231 5.594 2.302 1.00 1.34 C ATOM 399 CD1 LEU A 25 -1.582 6.392 1.049 1.00 65.12 C ATOM 400 CD2 LEU A 25 0.206 5.086 2.229 1.00 52.12 C ATOM 0 H LEU A 25 -2.629 4.464 4.665 1.00 71.52 H new ATOM 0 HA LEU A 25 0.050 5.599 4.835 1.00 41.14 H new ATOM 0 HB2 LEU A 25 -2.519 6.684 3.629 1.00 72.24 H new ATOM 0 HB3 LEU A 25 -0.926 7.390 3.440 1.00 72.24 H new ATOM 0 HG LEU A 25 -1.889 4.727 2.360 1.00 1.34 H new ATOM 0 HD11 LEU A 25 -1.416 5.775 0.166 1.00 65.12 H new ATOM 0 HD12 LEU A 25 -2.629 6.692 1.090 1.00 65.12 H new ATOM 0 HD13 LEU A 25 -0.952 7.280 0.995 1.00 65.12 H new ATOM 0 HD21 LEU A 25 0.335 4.487 1.327 1.00 52.12 H new ATOM 0 HD22 LEU A 25 0.891 5.934 2.202 1.00 52.12 H new ATOM 0 HD23 LEU A 25 0.420 4.474 3.105 1.00 52.12 H new ATOM 412 N ASN A 26 -2.333 6.472 6.801 1.00 1.30 N ATOM 413 CA ASN A 26 -2.744 7.236 7.979 1.00 20.52 C ATOM 414 C ASN A 26 -3.709 6.369 8.797 1.00 63.34 C ATOM 415 O ASN A 26 -4.399 5.524 8.235 1.00 42.32 O ATOM 416 CB ASN A 26 -3.413 8.556 7.540 1.00 43.25 C ATOM 417 CG ASN A 26 -3.872 9.450 8.692 1.00 0.32 C ATOM 418 OD1 ASN A 26 -4.348 8.987 9.723 1.00 53.43 O ATOM 419 ND2 ASN A 26 -3.735 10.748 8.521 1.00 12.12 N ATOM 0 H ASN A 26 -2.930 5.667 6.611 1.00 1.30 H new ATOM 0 HA ASN A 26 -1.881 7.493 8.593 1.00 20.52 H new ATOM 0 HB2 ASN A 26 -2.712 9.115 6.921 1.00 43.25 H new ATOM 0 HB3 ASN A 26 -4.274 8.321 6.914 1.00 43.25 H new ATOM 0 HD21 ASN A 26 -4.028 11.393 9.255 1.00 12.12 H new ATOM 0 HD22 ASN A 26 -3.336 11.109 7.654 1.00 12.12 H new ATOM 426 N GLU A 27 -3.761 6.570 10.110 1.00 53.51 N ATOM 427 CA GLU A 27 -4.658 5.784 10.971 1.00 71.11 C ATOM 428 C GLU A 27 -6.107 5.794 10.434 1.00 53.43 C ATOM 429 O GLU A 27 -6.893 4.886 10.704 1.00 11.04 O ATOM 430 CB GLU A 27 -4.628 6.330 12.404 1.00 4.31 C ATOM 431 CG GLU A 27 -5.376 5.457 13.405 1.00 51.51 C ATOM 432 CD GLU A 27 -5.443 6.068 14.794 1.00 4.34 C ATOM 433 OE1 GLU A 27 -4.419 6.057 15.505 1.00 65.42 O ATOM 434 OE2 GLU A 27 -6.530 6.547 15.188 1.00 2.20 O ATOM 0 H GLU A 27 -3.200 7.263 10.605 1.00 53.51 H new ATOM 0 HA GLU A 27 -4.304 4.753 10.969 1.00 71.11 H new ATOM 0 HB2 GLU A 27 -3.591 6.429 12.725 1.00 4.31 H new ATOM 0 HB3 GLU A 27 -5.061 7.330 12.412 1.00 4.31 H new ATOM 0 HG2 GLU A 27 -6.389 5.284 13.041 1.00 51.51 H new ATOM 0 HG3 GLU A 27 -4.888 4.484 13.466 1.00 51.51 H new ATOM 441 N GLN A 28 -6.446 6.840 9.678 1.00 10.22 N ATOM 442 CA GLN A 28 -7.762 6.953 9.033 1.00 35.45 C ATOM 443 C GLN A 28 -7.744 6.423 7.585 1.00 31.14 C ATOM 444 O GLN A 28 -8.754 5.924 7.090 1.00 14.03 O ATOM 445 CB GLN A 28 -8.225 8.418 9.040 1.00 14.32 C ATOM 446 CG GLN A 28 -8.354 9.016 10.436 1.00 14.42 C ATOM 447 CD GLN A 28 -9.384 8.298 11.294 1.00 73.24 C ATOM 448 OE1 GLN A 28 -10.558 8.650 11.299 1.00 21.51 O ATOM 449 NE2 GLN A 28 -8.956 7.284 12.020 1.00 72.25 N ATOM 0 H GLN A 28 -5.825 7.628 9.495 1.00 10.22 H new ATOM 0 HA GLN A 28 -8.459 6.339 9.604 1.00 35.45 H new ATOM 0 HB2 GLN A 28 -7.519 9.015 8.463 1.00 14.32 H new ATOM 0 HB3 GLN A 28 -9.188 8.487 8.535 1.00 14.32 H new ATOM 0 HG2 GLN A 28 -7.385 8.978 10.933 1.00 14.42 H new ATOM 0 HG3 GLN A 28 -8.628 10.068 10.352 1.00 14.42 H new ATOM 0 HE21 GLN A 28 -7.972 7.017 11.993 1.00 72.25 H new ATOM 0 HE22 GLN A 28 -9.609 6.767 12.609 1.00 72.25 H new ATOM 458 N VAL A 29 -6.590 6.520 6.919 1.00 71.32 N ATOM 459 CA VAL A 29 -6.472 6.142 5.498 1.00 22.41 C ATOM 460 C VAL A 29 -5.792 4.772 5.315 1.00 72.31 C ATOM 461 O VAL A 29 -4.606 4.606 5.617 1.00 64.11 O ATOM 462 CB VAL A 29 -5.677 7.207 4.701 1.00 73.21 C ATOM 463 CG1 VAL A 29 -5.585 6.818 3.227 1.00 43.20 C ATOM 464 CG2 VAL A 29 -6.311 8.588 4.858 1.00 70.21 C ATOM 0 H VAL A 29 -5.722 6.856 7.336 1.00 71.32 H new ATOM 0 HA VAL A 29 -7.490 6.079 5.114 1.00 22.41 H new ATOM 0 HB VAL A 29 -4.666 7.251 5.106 1.00 73.21 H new ATOM 0 HG11 VAL A 29 -5.023 7.578 2.684 1.00 43.20 H new ATOM 0 HG12 VAL A 29 -5.078 5.858 3.135 1.00 43.20 H new ATOM 0 HG13 VAL A 29 -6.588 6.740 2.808 1.00 43.20 H new ATOM 0 HG21 VAL A 29 -5.736 9.319 4.290 1.00 70.21 H new ATOM 0 HG22 VAL A 29 -7.335 8.563 4.485 1.00 70.21 H new ATOM 0 HG23 VAL A 29 -6.315 8.869 5.911 1.00 70.21 H new ATOM 474 N ARG A 30 -6.540 3.809 4.774 1.00 32.31 N ATOM 475 CA ARG A 30 -6.055 2.430 4.613 1.00 30.25 C ATOM 476 C ARG A 30 -6.194 1.947 3.158 1.00 34.23 C ATOM 477 O ARG A 30 -7.054 2.422 2.414 1.00 35.00 O ATOM 478 CB ARG A 30 -6.837 1.510 5.561 1.00 40.21 C ATOM 479 CG ARG A 30 -6.405 0.045 5.533 1.00 44.21 C ATOM 480 CD ARG A 30 -7.078 -0.754 6.646 1.00 42.04 C ATOM 481 NE ARG A 30 -6.751 -0.213 7.967 1.00 30.10 N ATOM 482 CZ ARG A 30 -7.537 -0.281 9.012 1.00 31.31 C ATOM 483 NH1 ARG A 30 -8.695 -0.854 8.937 1.00 73.31 N ATOM 484 NH2 ARG A 30 -7.166 0.233 10.141 1.00 32.23 N ATOM 0 H ARG A 30 -7.491 3.957 4.437 1.00 32.31 H new ATOM 0 HA ARG A 30 -4.994 2.402 4.862 1.00 30.25 H new ATOM 0 HB2 ARG A 30 -6.731 1.886 6.579 1.00 40.21 H new ATOM 0 HB3 ARG A 30 -7.896 1.567 5.308 1.00 40.21 H new ATOM 0 HG2 ARG A 30 -6.656 -0.392 4.566 1.00 44.21 H new ATOM 0 HG3 ARG A 30 -5.322 -0.019 5.640 1.00 44.21 H new ATOM 0 HD2 ARG A 30 -8.159 -0.740 6.503 1.00 42.04 H new ATOM 0 HD3 ARG A 30 -6.762 -1.796 6.590 1.00 42.04 H new ATOM 0 HE ARG A 30 -5.849 0.249 8.081 1.00 30.10 H new ATOM 0 HH11 ARG A 30 -9.007 -1.261 8.055 1.00 73.31 H new ATOM 0 HH12 ARG A 30 -9.296 -0.899 9.760 1.00 73.31 H new ATOM 0 HH21 ARG A 30 -6.259 0.693 10.218 1.00 32.23 H new ATOM 0 HH22 ARG A 30 -7.781 0.178 10.953 1.00 32.23 H new ATOM 498 N GLY A 31 -5.334 1.004 2.758 1.00 14.42 N ATOM 499 CA GLY A 31 -5.398 0.446 1.408 1.00 1.44 C ATOM 500 C GLY A 31 -4.652 -0.884 1.263 1.00 2.23 C ATOM 501 O GLY A 31 -4.384 -1.568 2.254 1.00 52.02 O ATOM 0 H GLY A 31 -4.594 0.616 3.344 1.00 14.42 H new ATOM 0 HA2 GLY A 31 -6.442 0.300 1.132 1.00 1.44 H new ATOM 0 HA3 GLY A 31 -4.981 1.167 0.705 1.00 1.44 H new ATOM 505 N LEU A 32 -4.303 -1.241 0.024 1.00 41.32 N ATOM 506 CA LEU A 32 -3.648 -2.526 -0.272 1.00 54.41 C ATOM 507 C LEU A 32 -2.479 -2.358 -1.266 1.00 14.24 C ATOM 508 O LEU A 32 -2.611 -1.699 -2.299 1.00 11.45 O ATOM 509 CB LEU A 32 -4.681 -3.515 -0.842 1.00 41.45 C ATOM 510 CG LEU A 32 -4.128 -4.890 -1.267 1.00 74.13 C ATOM 511 CD1 LEU A 32 -3.530 -5.636 -0.076 1.00 73.34 C ATOM 512 CD2 LEU A 32 -5.217 -5.727 -1.938 1.00 73.15 C ATOM 0 H LEU A 32 -4.463 -0.657 -0.797 1.00 41.32 H new ATOM 0 HA LEU A 32 -3.237 -2.915 0.660 1.00 54.41 H new ATOM 0 HB2 LEU A 32 -5.458 -3.672 -0.093 1.00 41.45 H new ATOM 0 HB3 LEU A 32 -5.160 -3.054 -1.706 1.00 41.45 H new ATOM 0 HG LEU A 32 -3.331 -4.721 -1.991 1.00 74.13 H new ATOM 0 HD11 LEU A 32 -3.148 -6.602 -0.406 1.00 73.34 H new ATOM 0 HD12 LEU A 32 -2.715 -5.050 0.349 1.00 73.34 H new ATOM 0 HD13 LEU A 32 -4.299 -5.789 0.681 1.00 73.34 H new ATOM 0 HD21 LEU A 32 -4.805 -6.693 -2.230 1.00 73.15 H new ATOM 0 HD22 LEU A 32 -6.041 -5.879 -1.240 1.00 73.15 H new ATOM 0 HD23 LEU A 32 -5.583 -5.206 -2.823 1.00 73.15 H new ATOM 524 N LEU A 33 -1.337 -2.964 -0.942 1.00 51.15 N ATOM 525 CA LEU A 33 -0.154 -2.944 -1.814 1.00 63.24 C ATOM 526 C LEU A 33 -0.098 -4.213 -2.684 1.00 62.10 C ATOM 527 O LEU A 33 -0.167 -5.333 -2.173 1.00 31.24 O ATOM 528 CB LEU A 33 1.118 -2.813 -0.958 1.00 22.24 C ATOM 529 CG LEU A 33 2.450 -2.815 -1.725 1.00 43.45 C ATOM 530 CD1 LEU A 33 2.470 -1.720 -2.789 1.00 2.13 C ATOM 531 CD2 LEU A 33 3.619 -2.646 -0.756 1.00 40.22 C ATOM 0 H LEU A 33 -1.202 -3.481 -0.073 1.00 51.15 H new ATOM 0 HA LEU A 33 -0.220 -2.085 -2.481 1.00 63.24 H new ATOM 0 HB2 LEU A 33 1.053 -1.888 -0.385 1.00 22.24 H new ATOM 0 HB3 LEU A 33 1.134 -3.632 -0.239 1.00 22.24 H new ATOM 0 HG LEU A 33 2.552 -3.775 -2.231 1.00 43.45 H new ATOM 0 HD11 LEU A 33 3.423 -1.743 -3.317 1.00 2.13 H new ATOM 0 HD12 LEU A 33 1.659 -1.886 -3.498 1.00 2.13 H new ATOM 0 HD13 LEU A 33 2.342 -0.748 -2.313 1.00 2.13 H new ATOM 0 HD21 LEU A 33 4.556 -2.649 -1.312 1.00 40.22 H new ATOM 0 HD22 LEU A 33 3.516 -1.701 -0.223 1.00 40.22 H new ATOM 0 HD23 LEU A 33 3.620 -3.468 -0.040 1.00 40.22 H new ATOM 543 N ARG A 34 0.035 -4.027 -3.997 1.00 44.35 N ATOM 544 CA ARG A 34 -0.023 -5.142 -4.953 1.00 2.02 C ATOM 545 C ARG A 34 1.383 -5.593 -5.407 1.00 50.12 C ATOM 546 O ARG A 34 2.225 -4.765 -5.760 1.00 13.31 O ATOM 547 CB ARG A 34 -0.872 -4.732 -6.167 1.00 42.13 C ATOM 548 CG ARG A 34 -2.298 -4.326 -5.801 1.00 43.30 C ATOM 549 CD ARG A 34 -3.119 -3.945 -7.029 1.00 20.12 C ATOM 550 NE ARG A 34 -4.496 -3.594 -6.680 1.00 1.23 N ATOM 551 CZ ARG A 34 -5.552 -4.031 -7.310 1.00 64.24 C ATOM 552 NH1 ARG A 34 -5.440 -4.831 -8.319 1.00 11.12 N ATOM 553 NH2 ARG A 34 -6.725 -3.662 -6.924 1.00 42.40 N ATOM 0 H ARG A 34 0.184 -3.114 -4.427 1.00 44.35 H new ATOM 0 HA ARG A 34 -0.484 -5.992 -4.451 1.00 2.02 H new ATOM 0 HB2 ARG A 34 -0.385 -3.901 -6.677 1.00 42.13 H new ATOM 0 HB3 ARG A 34 -0.908 -5.562 -6.873 1.00 42.13 H new ATOM 0 HG2 ARG A 34 -2.787 -5.149 -5.280 1.00 43.30 H new ATOM 0 HG3 ARG A 34 -2.269 -3.484 -5.110 1.00 43.30 H new ATOM 0 HD2 ARG A 34 -2.647 -3.102 -7.534 1.00 20.12 H new ATOM 0 HD3 ARG A 34 -3.124 -4.776 -7.734 1.00 20.12 H new ATOM 0 HE ARG A 34 -4.640 -2.965 -5.890 1.00 1.23 H new ATOM 0 HH11 ARG A 34 -4.517 -5.129 -8.633 1.00 11.12 H new ATOM 0 HH12 ARG A 34 -6.275 -5.164 -8.801 1.00 11.12 H new ATOM 0 HH21 ARG A 34 -6.825 -3.031 -6.129 1.00 42.40 H new ATOM 0 HH22 ARG A 34 -7.553 -4.001 -7.414 1.00 42.40 H new ATOM 567 N PRO A 35 1.643 -6.924 -5.433 1.00 20.34 N ATOM 568 CA PRO A 35 2.974 -7.485 -5.766 1.00 25.11 C ATOM 569 C PRO A 35 3.464 -7.123 -7.180 1.00 42.24 C ATOM 570 O PRO A 35 4.669 -6.976 -7.414 1.00 54.14 O ATOM 571 CB PRO A 35 2.760 -9.007 -5.656 1.00 32.31 C ATOM 572 CG PRO A 35 1.542 -9.166 -4.815 1.00 43.22 C ATOM 573 CD PRO A 35 0.666 -7.987 -5.135 1.00 50.25 C ATOM 0 HA PRO A 35 3.741 -7.086 -5.102 1.00 25.11 H new ATOM 0 HB2 PRO A 35 2.622 -9.458 -6.639 1.00 32.31 H new ATOM 0 HB3 PRO A 35 3.621 -9.494 -5.199 1.00 32.31 H new ATOM 0 HG2 PRO A 35 1.033 -10.103 -5.038 1.00 43.22 H new ATOM 0 HG3 PRO A 35 1.798 -9.187 -3.756 1.00 43.22 H new ATOM 0 HD2 PRO A 35 0.014 -8.187 -5.985 1.00 50.25 H new ATOM 0 HD3 PRO A 35 0.023 -7.721 -4.296 1.00 50.25 H new ATOM 581 N ARG A 36 2.526 -6.986 -8.115 1.00 34.53 N ATOM 582 CA ARG A 36 2.852 -6.660 -9.511 1.00 55.32 C ATOM 583 C ARG A 36 3.528 -5.284 -9.612 1.00 44.24 C ATOM 584 O ARG A 36 4.346 -5.039 -10.505 1.00 50.12 O ATOM 585 CB ARG A 36 1.572 -6.678 -10.366 1.00 71.25 C ATOM 586 CG ARG A 36 0.762 -7.968 -10.244 1.00 74.43 C ATOM 587 CD ARG A 36 -0.493 -7.947 -11.114 1.00 62.14 C ATOM 588 NE ARG A 36 -1.329 -9.127 -10.886 1.00 71.52 N ATOM 589 CZ ARG A 36 -1.889 -9.831 -11.830 1.00 43.20 C ATOM 590 NH1 ARG A 36 -1.750 -9.503 -13.074 1.00 71.43 N ATOM 591 NH2 ARG A 36 -2.596 -10.866 -11.521 1.00 14.30 N ATOM 0 H ARG A 36 1.528 -7.095 -7.935 1.00 34.53 H new ATOM 0 HA ARG A 36 3.548 -7.412 -9.884 1.00 55.32 H new ATOM 0 HB2 ARG A 36 0.942 -5.837 -10.077 1.00 71.25 H new ATOM 0 HB3 ARG A 36 1.843 -6.529 -11.411 1.00 71.25 H new ATOM 0 HG2 ARG A 36 1.386 -8.815 -10.530 1.00 74.43 H new ATOM 0 HG3 ARG A 36 0.477 -8.119 -9.203 1.00 74.43 H new ATOM 0 HD2 ARG A 36 -1.069 -7.046 -10.901 1.00 62.14 H new ATOM 0 HD3 ARG A 36 -0.207 -7.901 -12.165 1.00 62.14 H new ATOM 0 HE ARG A 36 -1.484 -9.419 -9.921 1.00 71.52 H new ATOM 0 HH11 ARG A 36 -1.197 -8.684 -13.327 1.00 71.43 H new ATOM 0 HH12 ARG A 36 -2.194 -10.063 -13.802 1.00 71.43 H new ATOM 0 HH21 ARG A 36 -2.714 -11.129 -10.543 1.00 14.30 H new ATOM 0 HH22 ARG A 36 -3.036 -11.420 -12.255 1.00 14.30 H new ATOM 605 N ASP A 37 3.192 -4.402 -8.674 1.00 64.43 N ATOM 606 CA ASP A 37 3.712 -3.035 -8.654 1.00 74.12 C ATOM 607 C ASP A 37 4.889 -2.880 -7.674 1.00 44.51 C ATOM 608 O ASP A 37 5.378 -1.772 -7.441 1.00 11.41 O ATOM 609 CB ASP A 37 2.576 -2.081 -8.287 1.00 33.31 C ATOM 610 CG ASP A 37 1.429 -2.167 -9.276 1.00 24.20 C ATOM 611 OD1 ASP A 37 0.550 -3.040 -9.107 1.00 21.23 O ATOM 612 OD2 ASP A 37 1.411 -1.375 -10.243 1.00 51.34 O ATOM 0 H ASP A 37 2.553 -4.613 -7.907 1.00 64.43 H new ATOM 0 HA ASP A 37 4.096 -2.794 -9.645 1.00 74.12 H new ATOM 0 HB2 ASP A 37 2.212 -2.316 -7.287 1.00 33.31 H new ATOM 0 HB3 ASP A 37 2.954 -1.059 -8.257 1.00 33.31 H new ATOM 617 N MET A 38 5.335 -3.994 -7.098 1.00 55.31 N ATOM 618 CA MET A 38 6.499 -3.990 -6.205 1.00 35.25 C ATOM 619 C MET A 38 7.807 -4.107 -7.004 1.00 61.21 C ATOM 620 O MET A 38 8.130 -5.172 -7.537 1.00 55.42 O ATOM 621 CB MET A 38 6.392 -5.127 -5.180 1.00 21.32 C ATOM 622 CG MET A 38 5.237 -4.953 -4.205 1.00 75.03 C ATOM 623 SD MET A 38 5.388 -3.448 -3.228 1.00 42.12 S ATOM 624 CE MET A 38 6.835 -3.818 -2.238 1.00 73.14 C ATOM 0 H MET A 38 4.911 -4.912 -7.231 1.00 55.31 H new ATOM 0 HA MET A 38 6.513 -3.040 -5.671 1.00 35.25 H new ATOM 0 HB2 MET A 38 6.273 -6.073 -5.708 1.00 21.32 H new ATOM 0 HB3 MET A 38 7.325 -5.190 -4.620 1.00 21.32 H new ATOM 0 HG2 MET A 38 4.298 -4.932 -4.758 1.00 75.03 H new ATOM 0 HG3 MET A 38 5.195 -5.814 -3.538 1.00 75.03 H new ATOM 0 HE1 MET A 38 6.899 -3.113 -1.409 1.00 73.14 H new ATOM 0 HE2 MET A 38 6.758 -4.832 -1.846 1.00 73.14 H new ATOM 0 HE3 MET A 38 7.729 -3.734 -2.855 1.00 73.14 H new ATOM 634 N ILE A 39 8.543 -2.998 -7.098 1.00 22.33 N ATOM 635 CA ILE A 39 9.796 -2.953 -7.864 1.00 54.40 C ATOM 636 C ILE A 39 10.937 -3.709 -7.162 1.00 31.24 C ATOM 637 O ILE A 39 11.436 -4.713 -7.671 1.00 3.33 O ATOM 638 CB ILE A 39 10.243 -1.487 -8.118 1.00 14.31 C ATOM 639 CG1 ILE A 39 9.127 -0.695 -8.821 1.00 10.43 C ATOM 640 CG2 ILE A 39 11.536 -1.445 -8.935 1.00 33.43 C ATOM 641 CD1 ILE A 39 8.694 -1.279 -10.149 1.00 54.00 C ATOM 0 H ILE A 39 8.294 -2.115 -6.653 1.00 22.33 H new ATOM 0 HA ILE A 39 9.590 -3.445 -8.814 1.00 54.40 H new ATOM 0 HB ILE A 39 10.439 -1.019 -7.153 1.00 14.31 H new ATOM 0 HG12 ILE A 39 8.262 -0.643 -8.160 1.00 10.43 H new ATOM 0 HG13 ILE A 39 9.468 0.328 -8.980 1.00 10.43 H new ATOM 0 HG21 ILE A 39 11.829 -0.408 -9.100 1.00 33.43 H new ATOM 0 HG22 ILE A 39 12.326 -1.963 -8.392 1.00 33.43 H new ATOM 0 HG23 ILE A 39 11.375 -1.934 -9.896 1.00 33.43 H new ATOM 0 HD11 ILE A 39 7.905 -0.662 -10.578 1.00 54.00 H new ATOM 0 HD12 ILE A 39 9.545 -1.305 -10.830 1.00 54.00 H new ATOM 0 HD13 ILE A 39 8.320 -2.291 -9.997 1.00 54.00 H new ATOM 653 N SER A 40 11.356 -3.218 -5.996 1.00 74.04 N ATOM 654 CA SER A 40 12.530 -3.772 -5.297 1.00 11.24 C ATOM 655 C SER A 40 12.147 -4.733 -4.161 1.00 12.10 C ATOM 656 O SER A 40 12.683 -5.837 -4.064 1.00 41.22 O ATOM 657 CB SER A 40 13.399 -2.637 -4.740 1.00 24.23 C ATOM 658 OG SER A 40 14.592 -3.136 -4.158 1.00 21.43 O ATOM 0 H SER A 40 10.906 -2.441 -5.512 1.00 74.04 H new ATOM 0 HA SER A 40 13.092 -4.347 -6.034 1.00 11.24 H new ATOM 0 HB2 SER A 40 13.647 -1.940 -5.541 1.00 24.23 H new ATOM 0 HB3 SER A 40 12.835 -2.078 -3.994 1.00 24.23 H new ATOM 0 HG SER A 40 15.125 -2.389 -3.814 1.00 21.43 H new ATOM 664 N LEU A 41 11.217 -4.319 -3.300 1.00 23.40 N ATOM 665 CA LEU A 41 10.839 -5.127 -2.130 1.00 31.25 C ATOM 666 C LEU A 41 9.873 -6.266 -2.498 1.00 2.25 C ATOM 667 O LEU A 41 8.777 -6.036 -3.003 1.00 43.53 O ATOM 668 CB LEU A 41 10.215 -4.240 -1.040 1.00 63.32 C ATOM 669 CG LEU A 41 11.192 -3.292 -0.325 1.00 74.33 C ATOM 670 CD1 LEU A 41 10.466 -2.468 0.737 1.00 75.34 C ATOM 671 CD2 LEU A 41 12.346 -4.077 0.298 1.00 11.54 C ATOM 0 H LEU A 41 10.712 -3.437 -3.385 1.00 23.40 H new ATOM 0 HA LEU A 41 11.753 -5.581 -1.747 1.00 31.25 H new ATOM 0 HB2 LEU A 41 9.421 -3.645 -1.490 1.00 63.32 H new ATOM 0 HB3 LEU A 41 9.748 -4.883 -0.294 1.00 63.32 H new ATOM 0 HG LEU A 41 11.605 -2.606 -1.065 1.00 74.33 H new ATOM 0 HD11 LEU A 41 11.176 -1.804 1.231 1.00 75.34 H new ATOM 0 HD12 LEU A 41 9.683 -1.875 0.265 1.00 75.34 H new ATOM 0 HD13 LEU A 41 10.021 -3.136 1.474 1.00 75.34 H new ATOM 0 HD21 LEU A 41 13.026 -3.388 0.799 1.00 11.54 H new ATOM 0 HD22 LEU A 41 11.952 -4.789 1.023 1.00 11.54 H new ATOM 0 HD23 LEU A 41 12.884 -4.614 -0.483 1.00 11.54 H new ATOM 683 N ARG A 42 10.306 -7.497 -2.244 1.00 10.31 N ATOM 684 CA ARG A 42 9.476 -8.685 -2.466 1.00 11.44 C ATOM 685 C ARG A 42 8.704 -9.052 -1.186 1.00 20.11 C ATOM 686 O ARG A 42 9.201 -8.835 -0.079 1.00 31.42 O ATOM 687 CB ARG A 42 10.375 -9.852 -2.902 1.00 52.43 C ATOM 688 CG ARG A 42 11.134 -9.587 -4.203 1.00 21.54 C ATOM 689 CD ARG A 42 10.209 -9.594 -5.420 1.00 15.31 C ATOM 690 NE ARG A 42 9.865 -10.958 -5.832 1.00 32.20 N ATOM 691 CZ ARG A 42 8.798 -11.286 -6.512 1.00 11.34 C ATOM 692 NH1 ARG A 42 7.933 -10.392 -6.869 1.00 24.22 N ATOM 693 NH2 ARG A 42 8.606 -12.521 -6.846 1.00 62.13 N ATOM 0 H ARG A 42 11.236 -7.703 -1.880 1.00 10.31 H new ATOM 0 HA ARG A 42 8.748 -8.475 -3.249 1.00 11.44 H new ATOM 0 HB2 ARG A 42 11.093 -10.063 -2.109 1.00 52.43 H new ATOM 0 HB3 ARG A 42 9.763 -10.746 -3.024 1.00 52.43 H new ATOM 0 HG2 ARG A 42 11.639 -8.623 -4.138 1.00 21.54 H new ATOM 0 HG3 ARG A 42 11.907 -10.344 -4.332 1.00 21.54 H new ATOM 0 HD2 ARG A 42 9.298 -9.043 -5.187 1.00 15.31 H new ATOM 0 HD3 ARG A 42 10.693 -9.075 -6.248 1.00 15.31 H new ATOM 0 HE ARG A 42 10.506 -11.707 -5.569 1.00 32.20 H new ATOM 0 HH11 ARG A 42 8.078 -9.414 -6.620 1.00 24.22 H new ATOM 0 HH12 ARG A 42 7.106 -10.666 -7.399 1.00 24.22 H new ATOM 0 HH21 ARG A 42 9.286 -13.233 -6.579 1.00 62.13 H new ATOM 0 HH22 ARG A 42 7.775 -12.783 -7.377 1.00 62.13 H new ATOM 707 N LEU A 43 7.497 -9.611 -1.336 1.00 53.50 N ATOM 708 CA LEU A 43 6.660 -9.989 -0.177 1.00 53.13 C ATOM 709 C LEU A 43 7.430 -10.861 0.831 1.00 41.22 C ATOM 710 O LEU A 43 7.174 -10.811 2.034 1.00 40.13 O ATOM 711 CB LEU A 43 5.401 -10.741 -0.641 1.00 54.40 C ATOM 712 CG LEU A 43 4.458 -9.959 -1.572 1.00 42.54 C ATOM 713 CD1 LEU A 43 3.227 -10.798 -1.912 1.00 31.50 C ATOM 714 CD2 LEU A 43 4.045 -8.629 -0.945 1.00 4.54 C ATOM 0 H LEU A 43 7.074 -9.813 -2.242 1.00 53.50 H new ATOM 0 HA LEU A 43 6.373 -9.063 0.321 1.00 53.13 H new ATOM 0 HB2 LEU A 43 5.713 -11.652 -1.153 1.00 54.40 H new ATOM 0 HB3 LEU A 43 4.838 -11.047 0.241 1.00 54.40 H new ATOM 0 HG LEU A 43 4.997 -9.742 -2.494 1.00 42.54 H new ATOM 0 HD11 LEU A 43 2.570 -10.230 -2.571 1.00 31.50 H new ATOM 0 HD12 LEU A 43 3.539 -11.715 -2.412 1.00 31.50 H new ATOM 0 HD13 LEU A 43 2.693 -11.048 -0.995 1.00 31.50 H new ATOM 0 HD21 LEU A 43 3.379 -8.098 -1.625 1.00 4.54 H new ATOM 0 HD22 LEU A 43 3.529 -8.815 -0.003 1.00 4.54 H new ATOM 0 HD23 LEU A 43 4.932 -8.023 -0.759 1.00 4.54 H new ATOM 726 N GLU A 44 8.383 -11.641 0.324 1.00 54.41 N ATOM 727 CA GLU A 44 9.183 -12.551 1.155 1.00 44.54 C ATOM 728 C GLU A 44 9.954 -11.799 2.257 1.00 25.22 C ATOM 729 O GLU A 44 10.262 -12.361 3.308 1.00 52.11 O ATOM 730 CB GLU A 44 10.184 -13.319 0.275 1.00 33.33 C ATOM 731 CG GLU A 44 9.562 -13.972 -0.957 1.00 25.33 C ATOM 732 CD GLU A 44 10.565 -14.788 -1.760 1.00 64.33 C ATOM 733 OE1 GLU A 44 11.550 -14.209 -2.261 1.00 22.40 O ATOM 734 OE2 GLU A 44 10.373 -16.016 -1.891 1.00 2.53 O ATOM 0 H GLU A 44 8.624 -11.663 -0.667 1.00 54.41 H new ATOM 0 HA GLU A 44 8.492 -13.243 1.636 1.00 44.54 H new ATOM 0 HB2 GLU A 44 10.968 -12.633 -0.048 1.00 33.33 H new ATOM 0 HB3 GLU A 44 10.664 -14.090 0.878 1.00 33.33 H new ATOM 0 HG2 GLU A 44 8.741 -14.618 -0.645 1.00 25.33 H new ATOM 0 HG3 GLU A 44 9.134 -13.199 -1.596 1.00 25.33 H new ATOM 741 N ASN A 45 10.256 -10.524 2.010 1.00 12.02 N ATOM 742 CA ASN A 45 11.111 -9.735 2.908 1.00 52.11 C ATOM 743 C ASN A 45 10.302 -8.758 3.781 1.00 5.01 C ATOM 744 O ASN A 45 10.850 -8.134 4.693 1.00 64.42 O ATOM 745 CB ASN A 45 12.135 -8.948 2.078 1.00 62.12 C ATOM 746 CG ASN A 45 12.911 -9.837 1.120 1.00 11.00 C ATOM 747 OD1 ASN A 45 13.139 -11.010 1.383 1.00 61.50 O ATOM 748 ND2 ASN A 45 13.322 -9.288 -0.004 1.00 23.44 N ATOM 0 H ASN A 45 9.922 -10.011 1.194 1.00 12.02 H new ATOM 0 HA ASN A 45 11.614 -10.433 3.577 1.00 52.11 H new ATOM 0 HB2 ASN A 45 11.620 -8.171 1.512 1.00 62.12 H new ATOM 0 HB3 ASN A 45 12.832 -8.445 2.748 1.00 62.12 H new ATOM 0 HD21 ASN A 45 13.845 -9.843 -0.681 1.00 23.44 H new ATOM 0 HD22 ASN A 45 13.118 -8.308 -0.197 1.00 23.44 H new ATOM 755 N LEU A 46 9.004 -8.627 3.509 1.00 3.24 N ATOM 756 CA LEU A 46 8.165 -7.643 4.208 1.00 1.22 C ATOM 757 C LEU A 46 7.711 -8.151 5.589 1.00 32.11 C ATOM 758 O LEU A 46 7.465 -9.343 5.777 1.00 10.23 O ATOM 759 CB LEU A 46 6.942 -7.279 3.354 1.00 42.34 C ATOM 760 CG LEU A 46 7.249 -6.782 1.928 1.00 40.32 C ATOM 761 CD1 LEU A 46 5.973 -6.305 1.233 1.00 53.51 C ATOM 762 CD2 LEU A 46 8.305 -5.678 1.950 1.00 30.42 C ATOM 0 H LEU A 46 8.509 -9.185 2.814 1.00 3.24 H new ATOM 0 HA LEU A 46 8.773 -6.752 4.366 1.00 1.22 H new ATOM 0 HB2 LEU A 46 6.297 -8.155 3.283 1.00 42.34 H new ATOM 0 HB3 LEU A 46 6.375 -6.507 3.874 1.00 42.34 H new ATOM 0 HG LEU A 46 7.652 -7.619 1.357 1.00 40.32 H new ATOM 0 HD11 LEU A 46 6.214 -5.959 0.228 1.00 53.51 H new ATOM 0 HD12 LEU A 46 5.262 -7.129 1.172 1.00 53.51 H new ATOM 0 HD13 LEU A 46 5.532 -5.487 1.803 1.00 53.51 H new ATOM 0 HD21 LEU A 46 8.504 -5.344 0.932 1.00 30.42 H new ATOM 0 HD22 LEU A 46 7.941 -4.838 2.542 1.00 30.42 H new ATOM 0 HD23 LEU A 46 9.224 -6.063 2.392 1.00 30.42 H new ATOM 774 N ASN A 47 7.608 -7.234 6.552 1.00 33.13 N ATOM 775 CA ASN A 47 7.191 -7.571 7.922 1.00 74.30 C ATOM 776 C ASN A 47 6.026 -6.683 8.382 1.00 52.15 C ATOM 777 O ASN A 47 5.626 -5.749 7.685 1.00 53.40 O ATOM 778 CB ASN A 47 8.366 -7.399 8.893 1.00 43.43 C ATOM 779 CG ASN A 47 9.622 -8.090 8.412 1.00 44.40 C ATOM 780 OD1 ASN A 47 9.853 -9.263 8.690 1.00 42.41 O ATOM 781 ND2 ASN A 47 10.446 -7.369 7.687 1.00 54.05 N ATOM 0 H ASN A 47 7.808 -6.244 6.411 1.00 33.13 H new ATOM 0 HA ASN A 47 6.862 -8.610 7.920 1.00 74.30 H new ATOM 0 HB2 ASN A 47 8.569 -6.337 9.028 1.00 43.43 H new ATOM 0 HB3 ASN A 47 8.088 -7.797 9.869 1.00 43.43 H new ATOM 0 HD21 ASN A 47 11.310 -7.781 7.336 1.00 54.05 H new ATOM 0 HD22 ASN A 47 10.222 -6.397 7.475 1.00 54.05 H new ATOM 788 N VAL A 48 5.496 -6.967 9.568 1.00 62.24 N ATOM 789 CA VAL A 48 4.442 -6.138 10.158 1.00 40.21 C ATOM 790 C VAL A 48 5.035 -4.865 10.786 1.00 1.03 C ATOM 791 O VAL A 48 5.784 -4.932 11.765 1.00 72.25 O ATOM 792 CB VAL A 48 3.646 -6.921 11.235 1.00 75.50 C ATOM 793 CG1 VAL A 48 2.570 -6.040 11.873 1.00 32.12 C ATOM 794 CG2 VAL A 48 3.031 -8.182 10.634 1.00 71.31 C ATOM 0 H VAL A 48 5.776 -7.763 10.141 1.00 62.24 H new ATOM 0 HA VAL A 48 3.762 -5.859 9.354 1.00 40.21 H new ATOM 0 HB VAL A 48 4.340 -7.219 12.021 1.00 75.50 H new ATOM 0 HG11 VAL A 48 2.028 -6.614 12.624 1.00 32.12 H new ATOM 0 HG12 VAL A 48 3.039 -5.177 12.345 1.00 32.12 H new ATOM 0 HG13 VAL A 48 1.875 -5.700 11.105 1.00 32.12 H new ATOM 0 HG21 VAL A 48 2.476 -8.719 11.404 1.00 71.31 H new ATOM 0 HG22 VAL A 48 2.355 -7.907 9.825 1.00 71.31 H new ATOM 0 HG23 VAL A 48 3.822 -8.822 10.244 1.00 71.31 H new ATOM 804 N GLY A 49 4.709 -3.706 10.213 1.00 74.41 N ATOM 805 CA GLY A 49 5.191 -2.438 10.755 1.00 15.13 C ATOM 806 C GLY A 49 6.213 -1.721 9.871 1.00 22.12 C ATOM 807 O GLY A 49 6.627 -0.605 10.190 1.00 3.42 O ATOM 0 H GLY A 49 4.121 -3.620 9.384 1.00 74.41 H new ATOM 0 HA2 GLY A 49 4.339 -1.777 10.914 1.00 15.13 H new ATOM 0 HA3 GLY A 49 5.639 -2.621 11.732 1.00 15.13 H new ATOM 811 N ASP A 50 6.629 -2.345 8.768 1.00 53.55 N ATOM 812 CA ASP A 50 7.582 -1.708 7.848 1.00 1.24 C ATOM 813 C ASP A 50 6.994 -0.437 7.202 1.00 53.23 C ATOM 814 O ASP A 50 5.953 -0.483 6.541 1.00 1.21 O ATOM 815 CB ASP A 50 8.034 -2.693 6.756 1.00 44.12 C ATOM 816 CG ASP A 50 9.075 -3.687 7.252 1.00 24.20 C ATOM 817 OD1 ASP A 50 9.961 -3.285 8.036 1.00 72.14 O ATOM 818 OD2 ASP A 50 9.039 -4.862 6.835 1.00 50.11 O ATOM 0 H ASP A 50 6.328 -3.279 8.489 1.00 53.55 H new ATOM 0 HA ASP A 50 8.449 -1.414 8.440 1.00 1.24 H new ATOM 0 HB2 ASP A 50 7.167 -3.238 6.383 1.00 44.12 H new ATOM 0 HB3 ASP A 50 8.444 -2.133 5.915 1.00 44.12 H new ATOM 823 N GLU A 51 7.667 0.697 7.414 1.00 14.53 N ATOM 824 CA GLU A 51 7.286 1.966 6.781 1.00 1.42 C ATOM 825 C GLU A 51 7.839 2.046 5.348 1.00 31.24 C ATOM 826 O GLU A 51 9.020 2.336 5.142 1.00 54.44 O ATOM 827 CB GLU A 51 7.802 3.156 7.609 1.00 70.32 C ATOM 828 CG GLU A 51 7.138 3.301 8.975 1.00 44.31 C ATOM 829 CD GLU A 51 7.727 4.437 9.803 1.00 54.34 C ATOM 830 OE1 GLU A 51 7.640 5.606 9.373 1.00 41.35 O ATOM 831 OE2 GLU A 51 8.273 4.169 10.894 1.00 31.34 O ATOM 0 H GLU A 51 8.483 0.764 8.022 1.00 14.53 H new ATOM 0 HA GLU A 51 6.198 2.010 6.738 1.00 1.42 H new ATOM 0 HB2 GLU A 51 8.877 3.047 7.750 1.00 70.32 H new ATOM 0 HB3 GLU A 51 7.646 4.074 7.042 1.00 70.32 H new ATOM 0 HG2 GLU A 51 6.071 3.474 8.838 1.00 44.31 H new ATOM 0 HG3 GLU A 51 7.242 2.366 9.525 1.00 44.31 H new ATOM 838 N ILE A 52 6.988 1.773 4.366 1.00 23.11 N ATOM 839 CA ILE A 52 7.405 1.752 2.957 1.00 61.51 C ATOM 840 C ILE A 52 6.868 2.971 2.187 1.00 25.34 C ATOM 841 O ILE A 52 5.711 3.359 2.346 1.00 61.11 O ATOM 842 CB ILE A 52 6.917 0.457 2.254 1.00 74.10 C ATOM 843 CG1 ILE A 52 7.444 -0.790 2.987 1.00 42.14 C ATOM 844 CG2 ILE A 52 7.347 0.441 0.786 1.00 74.51 C ATOM 845 CD1 ILE A 52 6.965 -2.099 2.391 1.00 43.34 C ATOM 0 H ILE A 52 6.001 1.562 4.514 1.00 23.11 H new ATOM 0 HA ILE A 52 8.495 1.784 2.951 1.00 61.51 H new ATOM 0 HB ILE A 52 5.828 0.441 2.290 1.00 74.10 H new ATOM 0 HG12 ILE A 52 8.534 -0.773 2.975 1.00 42.14 H new ATOM 0 HG13 ILE A 52 7.136 -0.743 4.032 1.00 42.14 H new ATOM 0 HG21 ILE A 52 6.994 -0.476 0.313 1.00 74.51 H new ATOM 0 HG22 ILE A 52 6.919 1.302 0.272 1.00 74.51 H new ATOM 0 HG23 ILE A 52 8.434 0.485 0.725 1.00 74.51 H new ATOM 0 HD11 ILE A 52 7.378 -2.931 2.961 1.00 43.34 H new ATOM 0 HD12 ILE A 52 5.876 -2.139 2.428 1.00 43.34 H new ATOM 0 HD13 ILE A 52 7.296 -2.170 1.355 1.00 43.34 H new ATOM 857 N ILE A 53 7.715 3.570 1.352 1.00 22.20 N ATOM 858 CA ILE A 53 7.316 4.721 0.532 1.00 63.33 C ATOM 859 C ILE A 53 6.625 4.261 -0.765 1.00 54.34 C ATOM 860 O ILE A 53 7.237 3.595 -1.602 1.00 70.23 O ATOM 861 CB ILE A 53 8.541 5.600 0.181 1.00 52.24 C ATOM 862 CG1 ILE A 53 9.240 6.072 1.469 1.00 2.11 C ATOM 863 CG2 ILE A 53 8.119 6.793 -0.680 1.00 22.13 C ATOM 864 CD1 ILE A 53 10.502 6.873 1.225 1.00 3.43 C ATOM 0 H ILE A 53 8.684 3.280 1.223 1.00 22.20 H new ATOM 0 HA ILE A 53 6.611 5.311 1.118 1.00 63.33 H new ATOM 0 HB ILE A 53 9.247 5.003 -0.396 1.00 52.24 H new ATOM 0 HG12 ILE A 53 8.543 6.678 2.048 1.00 2.11 H new ATOM 0 HG13 ILE A 53 9.486 5.201 2.077 1.00 2.11 H new ATOM 0 HG21 ILE A 53 8.994 7.399 -0.916 1.00 22.13 H new ATOM 0 HG22 ILE A 53 7.667 6.433 -1.604 1.00 22.13 H new ATOM 0 HG23 ILE A 53 7.395 7.398 -0.134 1.00 22.13 H new ATOM 0 HD11 ILE A 53 10.936 7.169 2.180 1.00 3.43 H new ATOM 0 HD12 ILE A 53 11.219 6.264 0.674 1.00 3.43 H new ATOM 0 HD13 ILE A 53 10.261 7.764 0.645 1.00 3.43 H new ATOM 876 N VAL A 54 5.353 4.625 -0.931 1.00 2.24 N ATOM 877 CA VAL A 54 4.554 4.148 -2.069 1.00 0.35 C ATOM 878 C VAL A 54 3.817 5.287 -2.798 1.00 1.21 C ATOM 879 O VAL A 54 3.713 6.413 -2.301 1.00 52.23 O ATOM 880 CB VAL A 54 3.508 3.093 -1.616 1.00 71.55 C ATOM 881 CG1 VAL A 54 4.197 1.833 -1.087 1.00 51.22 C ATOM 882 CG2 VAL A 54 2.567 3.680 -0.562 1.00 3.13 C ATOM 0 H VAL A 54 4.852 5.246 -0.296 1.00 2.24 H new ATOM 0 HA VAL A 54 5.265 3.698 -2.762 1.00 0.35 H new ATOM 0 HB VAL A 54 2.913 2.813 -2.485 1.00 71.55 H new ATOM 0 HG11 VAL A 54 3.443 1.109 -0.776 1.00 51.22 H new ATOM 0 HG12 VAL A 54 4.814 1.399 -1.873 1.00 51.22 H new ATOM 0 HG13 VAL A 54 4.825 2.092 -0.234 1.00 51.22 H new ATOM 0 HG21 VAL A 54 1.843 2.924 -0.259 1.00 3.13 H new ATOM 0 HG22 VAL A 54 3.145 3.997 0.306 1.00 3.13 H new ATOM 0 HG23 VAL A 54 2.042 4.538 -0.981 1.00 3.13 H new ATOM 892 N GLN A 55 3.317 4.976 -3.991 1.00 41.34 N ATOM 893 CA GLN A 55 2.486 5.899 -4.770 1.00 64.23 C ATOM 894 C GLN A 55 1.093 5.296 -5.001 1.00 33.41 C ATOM 895 O GLN A 55 0.962 4.093 -5.243 1.00 75.13 O ATOM 896 CB GLN A 55 3.157 6.206 -6.119 1.00 11.04 C ATOM 897 CG GLN A 55 2.396 7.215 -6.978 1.00 32.32 C ATOM 898 CD GLN A 55 3.060 7.466 -8.324 1.00 1.14 C ATOM 899 OE1 GLN A 55 3.706 6.590 -8.885 1.00 55.43 O ATOM 900 NE2 GLN A 55 2.906 8.663 -8.851 1.00 32.11 N ATOM 0 H GLN A 55 3.475 4.078 -4.448 1.00 41.34 H new ATOM 0 HA GLN A 55 2.378 6.828 -4.210 1.00 64.23 H new ATOM 0 HB2 GLN A 55 4.162 6.586 -5.935 1.00 11.04 H new ATOM 0 HB3 GLN A 55 3.265 5.277 -6.679 1.00 11.04 H new ATOM 0 HG2 GLN A 55 1.381 6.853 -7.141 1.00 32.32 H new ATOM 0 HG3 GLN A 55 2.315 8.158 -6.437 1.00 32.32 H new ATOM 0 HE21 GLN A 55 2.362 9.371 -8.358 1.00 32.11 H new ATOM 0 HE22 GLN A 55 3.331 8.882 -9.752 1.00 32.11 H new ATOM 909 N ALA A 56 0.056 6.124 -4.919 1.00 53.52 N ATOM 910 CA ALA A 56 -1.320 5.652 -5.099 1.00 50.40 C ATOM 911 C ALA A 56 -1.627 5.320 -6.569 1.00 31.24 C ATOM 912 O ALA A 56 -1.282 6.079 -7.477 1.00 4.30 O ATOM 913 CB ALA A 56 -2.303 6.691 -4.572 1.00 32.02 C ATOM 0 H ALA A 56 0.138 7.123 -4.730 1.00 53.52 H new ATOM 0 HA ALA A 56 -1.430 4.730 -4.529 1.00 50.40 H new ATOM 0 HB1 ALA A 56 -3.322 6.331 -4.710 1.00 32.02 H new ATOM 0 HB2 ALA A 56 -2.119 6.861 -3.511 1.00 32.02 H new ATOM 0 HB3 ALA A 56 -2.171 7.626 -5.117 1.00 32.02 H new ATOM 919 N ILE A 57 -2.272 4.181 -6.797 1.00 53.24 N ATOM 920 CA ILE A 57 -2.681 3.771 -8.146 1.00 41.25 C ATOM 921 C ILE A 57 -4.137 4.180 -8.422 1.00 1.34 C ATOM 922 O ILE A 57 -4.402 5.096 -9.202 1.00 41.14 O ATOM 923 CB ILE A 57 -2.544 2.239 -8.340 1.00 73.14 C ATOM 924 CG1 ILE A 57 -1.118 1.773 -8.007 1.00 24.50 C ATOM 925 CG2 ILE A 57 -2.920 1.845 -9.769 1.00 72.40 C ATOM 926 CD1 ILE A 57 -0.932 0.272 -8.093 1.00 75.31 C ATOM 0 H ILE A 57 -2.526 3.519 -6.064 1.00 53.24 H new ATOM 0 HA ILE A 57 -2.018 4.277 -8.848 1.00 41.25 H new ATOM 0 HB ILE A 57 -3.231 1.744 -7.654 1.00 73.14 H new ATOM 0 HG12 ILE A 57 -0.419 2.256 -8.689 1.00 24.50 H new ATOM 0 HG13 ILE A 57 -0.863 2.105 -7.001 1.00 24.50 H new ATOM 0 HG21 ILE A 57 -2.818 0.766 -9.888 1.00 72.40 H new ATOM 0 HG22 ILE A 57 -3.952 2.136 -9.967 1.00 72.40 H new ATOM 0 HG23 ILE A 57 -2.259 2.351 -10.472 1.00 72.40 H new ATOM 0 HD11 ILE A 57 0.099 0.018 -7.845 1.00 75.31 H new ATOM 0 HD12 ILE A 57 -1.606 -0.219 -7.391 1.00 75.31 H new ATOM 0 HD13 ILE A 57 -1.155 -0.065 -9.105 1.00 75.31 H new ATOM 938 N ASP A 58 -5.072 3.500 -7.760 1.00 34.22 N ATOM 939 CA ASP A 58 -6.503 3.796 -7.894 1.00 62.34 C ATOM 940 C ASP A 58 -7.157 3.996 -6.519 1.00 43.33 C ATOM 941 O ASP A 58 -6.846 3.284 -5.563 1.00 31.15 O ATOM 942 CB ASP A 58 -7.220 2.663 -8.642 1.00 3.43 C ATOM 943 CG ASP A 58 -6.783 2.541 -10.090 1.00 71.11 C ATOM 944 OD1 ASP A 58 -7.077 3.462 -10.877 1.00 22.12 O ATOM 945 OD2 ASP A 58 -6.155 1.522 -10.454 1.00 62.34 O ATOM 0 H ASP A 58 -4.864 2.734 -7.120 1.00 34.22 H new ATOM 0 HA ASP A 58 -6.597 4.720 -8.464 1.00 62.34 H new ATOM 0 HB2 ASP A 58 -7.030 1.720 -8.130 1.00 3.43 H new ATOM 0 HB3 ASP A 58 -8.296 2.835 -8.606 1.00 3.43 H new ATOM 950 N VAL A 59 -8.063 4.968 -6.427 1.00 23.22 N ATOM 951 CA VAL A 59 -8.806 5.229 -5.189 1.00 12.42 C ATOM 952 C VAL A 59 -10.319 5.109 -5.430 1.00 61.14 C ATOM 953 O VAL A 59 -10.931 5.970 -6.061 1.00 13.21 O ATOM 954 CB VAL A 59 -8.479 6.630 -4.608 1.00 54.33 C ATOM 955 CG1 VAL A 59 -9.319 6.916 -3.360 1.00 34.52 C ATOM 956 CG2 VAL A 59 -6.985 6.746 -4.295 1.00 42.24 C ATOM 0 H VAL A 59 -8.303 5.592 -7.197 1.00 23.22 H new ATOM 0 HA VAL A 59 -8.496 4.478 -4.462 1.00 12.42 H new ATOM 0 HB VAL A 59 -8.732 7.377 -5.360 1.00 54.33 H new ATOM 0 HG11 VAL A 59 -9.070 7.904 -2.973 1.00 34.52 H new ATOM 0 HG12 VAL A 59 -10.377 6.883 -3.618 1.00 34.52 H new ATOM 0 HG13 VAL A 59 -9.108 6.164 -2.599 1.00 34.52 H new ATOM 0 HG21 VAL A 59 -6.774 7.735 -3.888 1.00 42.24 H new ATOM 0 HG22 VAL A 59 -6.706 5.986 -3.565 1.00 42.24 H new ATOM 0 HG23 VAL A 59 -6.409 6.599 -5.209 1.00 42.24 H new ATOM 966 N ARG A 60 -10.908 4.022 -4.943 1.00 0.32 N ATOM 967 CA ARG A 60 -12.345 3.772 -5.100 1.00 73.10 C ATOM 968 C ARG A 60 -13.091 4.017 -3.776 1.00 24.53 C ATOM 969 O ARG A 60 -13.144 3.134 -2.920 1.00 24.44 O ATOM 970 CB ARG A 60 -12.567 2.323 -5.572 1.00 54.22 C ATOM 971 CG ARG A 60 -11.933 2.014 -6.928 1.00 25.22 C ATOM 972 CD ARG A 60 -12.013 0.529 -7.288 1.00 73.14 C ATOM 973 NE ARG A 60 -11.169 -0.303 -6.425 1.00 63.30 N ATOM 974 CZ ARG A 60 -9.867 -0.400 -6.544 1.00 33.13 C ATOM 975 NH1 ARG A 60 -9.237 0.254 -7.464 1.00 72.44 N ATOM 976 NH2 ARG A 60 -9.192 -1.174 -5.759 1.00 34.31 N ATOM 0 H ARG A 60 -10.412 3.292 -4.432 1.00 0.32 H new ATOM 0 HA ARG A 60 -12.741 4.462 -5.845 1.00 73.10 H new ATOM 0 HB2 ARG A 60 -12.159 1.641 -4.826 1.00 54.22 H new ATOM 0 HB3 ARG A 60 -13.638 2.129 -5.629 1.00 54.22 H new ATOM 0 HG2 ARG A 60 -12.432 2.599 -7.700 1.00 25.22 H new ATOM 0 HG3 ARG A 60 -10.889 2.326 -6.917 1.00 25.22 H new ATOM 0 HD2 ARG A 60 -13.048 0.195 -7.211 1.00 73.14 H new ATOM 0 HD3 ARG A 60 -11.711 0.393 -8.326 1.00 73.14 H new ATOM 0 HE ARG A 60 -11.623 -0.840 -5.686 1.00 63.30 H new ATOM 0 HH11 ARG A 60 -9.753 0.854 -8.108 1.00 72.44 H new ATOM 0 HH12 ARG A 60 -8.224 0.170 -7.546 1.00 72.44 H new ATOM 0 HH21 ARG A 60 -9.672 -1.715 -5.040 1.00 34.31 H new ATOM 0 HH22 ARG A 60 -8.179 -1.243 -5.859 1.00 34.31 H new ATOM 990 N PRO A 61 -13.686 5.217 -3.592 1.00 43.30 N ATOM 991 CA PRO A 61 -14.392 5.574 -2.343 1.00 5.23 C ATOM 992 C PRO A 61 -15.627 4.694 -2.089 1.00 23.34 C ATOM 993 O PRO A 61 -15.885 4.284 -0.957 1.00 23.52 O ATOM 994 CB PRO A 61 -14.796 7.043 -2.561 1.00 71.54 C ATOM 995 CG PRO A 61 -14.791 7.226 -4.041 1.00 42.23 C ATOM 996 CD PRO A 61 -13.707 6.323 -4.568 1.00 43.30 C ATOM 0 HA PRO A 61 -13.763 5.424 -1.465 1.00 5.23 H new ATOM 0 HB2 PRO A 61 -15.780 7.249 -2.141 1.00 71.54 H new ATOM 0 HB3 PRO A 61 -14.094 7.722 -2.076 1.00 71.54 H new ATOM 0 HG2 PRO A 61 -15.759 6.965 -4.470 1.00 42.23 H new ATOM 0 HG3 PRO A 61 -14.595 8.265 -4.305 1.00 42.23 H new ATOM 0 HD2 PRO A 61 -13.932 5.968 -5.574 1.00 43.30 H new ATOM 0 HD3 PRO A 61 -12.746 6.834 -4.618 1.00 43.30 H new ATOM 1004 N GLU A 62 -16.373 4.391 -3.151 1.00 20.32 N ATOM 1005 CA GLU A 62 -17.556 3.525 -3.056 1.00 73.45 C ATOM 1006 C GLU A 62 -17.179 2.088 -2.648 1.00 42.53 C ATOM 1007 O GLU A 62 -18.023 1.316 -2.194 1.00 2.13 O ATOM 1008 CB GLU A 62 -18.299 3.507 -4.397 1.00 43.24 C ATOM 1009 CG GLU A 62 -17.447 3.022 -5.565 1.00 72.35 C ATOM 1010 CD GLU A 62 -18.204 3.047 -6.880 1.00 71.13 C ATOM 1011 OE1 GLU A 62 -18.881 2.049 -7.202 1.00 40.13 O ATOM 1012 OE2 GLU A 62 -18.135 4.071 -7.590 1.00 2.35 O ATOM 0 H GLU A 62 -16.181 4.732 -4.093 1.00 20.32 H new ATOM 0 HA GLU A 62 -18.205 3.933 -2.281 1.00 73.45 H new ATOM 0 HB2 GLU A 62 -19.176 2.865 -4.308 1.00 43.24 H new ATOM 0 HB3 GLU A 62 -18.660 4.512 -4.615 1.00 43.24 H new ATOM 0 HG2 GLU A 62 -16.558 3.648 -5.648 1.00 72.35 H new ATOM 0 HG3 GLU A 62 -17.104 2.007 -5.365 1.00 72.35 H new ATOM 1019 N LYS A 63 -15.910 1.733 -2.836 1.00 32.25 N ATOM 1020 CA LYS A 63 -15.387 0.420 -2.429 1.00 64.35 C ATOM 1021 C LYS A 63 -14.449 0.548 -1.218 1.00 33.14 C ATOM 1022 O LYS A 63 -14.060 -0.452 -0.611 1.00 53.01 O ATOM 1023 CB LYS A 63 -14.625 -0.219 -3.599 1.00 34.44 C ATOM 1024 CG LYS A 63 -15.489 -0.507 -4.827 1.00 32.34 C ATOM 1025 CD LYS A 63 -16.526 -1.601 -4.565 1.00 12.33 C ATOM 1026 CE LYS A 63 -15.875 -2.919 -4.150 1.00 31.33 C ATOM 1027 NZ LYS A 63 -14.874 -3.391 -5.147 1.00 64.43 N ATOM 0 H LYS A 63 -15.215 2.339 -3.271 1.00 32.25 H new ATOM 0 HA LYS A 63 -16.231 -0.209 -2.147 1.00 64.35 H new ATOM 0 HB2 LYS A 63 -13.808 0.442 -3.890 1.00 34.44 H new ATOM 0 HB3 LYS A 63 -14.175 -1.151 -3.259 1.00 34.44 H new ATOM 0 HG2 LYS A 63 -15.998 0.407 -5.133 1.00 32.34 H new ATOM 0 HG3 LYS A 63 -14.849 -0.808 -5.656 1.00 32.34 H new ATOM 0 HD2 LYS A 63 -17.210 -1.272 -3.783 1.00 12.33 H new ATOM 0 HD3 LYS A 63 -17.122 -1.758 -5.464 1.00 12.33 H new ATOM 0 HE2 LYS A 63 -15.390 -2.794 -3.182 1.00 31.33 H new ATOM 0 HE3 LYS A 63 -16.646 -3.679 -4.024 1.00 31.33 H new ATOM 0 HZ1 LYS A 63 -14.571 -4.356 -4.904 1.00 64.43 H new ATOM 0 HZ2 LYS A 63 -15.302 -3.391 -6.095 1.00 64.43 H new ATOM 0 HZ3 LYS A 63 -14.050 -2.757 -5.139 1.00 64.43 H new ATOM 1041 N ARG A 64 -14.086 1.792 -0.888 1.00 32.24 N ATOM 1042 CA ARG A 64 -13.123 2.091 0.184 1.00 45.43 C ATOM 1043 C ARG A 64 -11.751 1.445 -0.095 1.00 32.33 C ATOM 1044 O ARG A 64 -10.954 1.225 0.817 1.00 21.41 O ATOM 1045 CB ARG A 64 -13.676 1.647 1.546 1.00 45.43 C ATOM 1046 CG ARG A 64 -15.037 2.261 1.867 1.00 12.41 C ATOM 1047 CD ARG A 64 -15.510 1.923 3.278 1.00 64.33 C ATOM 1048 NE ARG A 64 -14.695 2.571 4.308 1.00 53.33 N ATOM 1049 CZ ARG A 64 -15.017 2.613 5.574 1.00 24.12 C ATOM 1050 NH1 ARG A 64 -16.104 2.049 5.998 1.00 33.04 N ATOM 1051 NH2 ARG A 64 -14.252 3.228 6.416 1.00 55.13 N ATOM 0 H ARG A 64 -14.450 2.622 -1.355 1.00 32.24 H new ATOM 0 HA ARG A 64 -12.975 3.171 0.211 1.00 45.43 H new ATOM 0 HB2 ARG A 64 -13.761 0.560 1.560 1.00 45.43 H new ATOM 0 HB3 ARG A 64 -12.967 1.921 2.327 1.00 45.43 H new ATOM 0 HG2 ARG A 64 -14.979 3.344 1.756 1.00 12.41 H new ATOM 0 HG3 ARG A 64 -15.772 1.905 1.145 1.00 12.41 H new ATOM 0 HD2 ARG A 64 -16.549 2.230 3.394 1.00 64.33 H new ATOM 0 HD3 ARG A 64 -15.479 0.843 3.420 1.00 64.33 H new ATOM 0 HE ARG A 64 -13.824 3.016 4.020 1.00 53.33 H new ATOM 0 HH11 ARG A 64 -16.718 1.566 5.342 1.00 33.04 H new ATOM 0 HH12 ARG A 64 -16.346 2.088 6.988 1.00 33.04 H new ATOM 0 HH21 ARG A 64 -13.397 3.680 6.092 1.00 55.13 H new ATOM 0 HH22 ARG A 64 -14.504 3.261 7.404 1.00 55.13 H new ATOM 1065 N GLU A 65 -11.481 1.180 -1.374 1.00 61.41 N ATOM 1066 CA GLU A 65 -10.217 0.566 -1.807 1.00 60.12 C ATOM 1067 C GLU A 65 -9.202 1.624 -2.261 1.00 31.22 C ATOM 1068 O GLU A 65 -9.534 2.511 -3.047 1.00 23.10 O ATOM 1069 CB GLU A 65 -10.457 -0.393 -2.984 1.00 12.45 C ATOM 1070 CG GLU A 65 -11.324 -1.603 -2.668 1.00 5.13 C ATOM 1071 CD GLU A 65 -11.486 -2.508 -3.881 1.00 33.00 C ATOM 1072 OE1 GLU A 65 -10.643 -3.400 -4.084 1.00 42.31 O ATOM 1073 OE2 GLU A 65 -12.433 -2.296 -4.669 1.00 1.44 O ATOM 0 H GLU A 65 -12.126 1.382 -2.138 1.00 61.41 H new ATOM 0 HA GLU A 65 -9.820 0.025 -0.948 1.00 60.12 H new ATOM 0 HB2 GLU A 65 -10.922 0.165 -3.797 1.00 12.45 H new ATOM 0 HB3 GLU A 65 -9.492 -0.743 -3.349 1.00 12.45 H new ATOM 0 HG2 GLU A 65 -10.878 -2.167 -1.849 1.00 5.13 H new ATOM 0 HG3 GLU A 65 -12.305 -1.270 -2.328 1.00 5.13 H new ATOM 1080 N ILE A 66 -7.967 1.519 -1.776 1.00 62.33 N ATOM 1081 CA ILE A 66 -6.862 2.354 -2.262 1.00 45.42 C ATOM 1082 C ILE A 66 -5.649 1.478 -2.618 1.00 30.11 C ATOM 1083 O ILE A 66 -5.014 0.895 -1.739 1.00 34.04 O ATOM 1084 CB ILE A 66 -6.438 3.424 -1.220 1.00 60.23 C ATOM 1085 CG1 ILE A 66 -7.637 4.308 -0.831 1.00 42.32 C ATOM 1086 CG2 ILE A 66 -5.297 4.283 -1.769 1.00 1.53 C ATOM 1087 CD1 ILE A 66 -7.307 5.384 0.186 1.00 11.55 C ATOM 0 H ILE A 66 -7.702 0.861 -1.043 1.00 62.33 H new ATOM 0 HA ILE A 66 -7.219 2.873 -3.152 1.00 45.42 H new ATOM 0 HB ILE A 66 -6.086 2.910 -0.326 1.00 60.23 H new ATOM 0 HG12 ILE A 66 -8.033 4.781 -1.730 1.00 42.32 H new ATOM 0 HG13 ILE A 66 -8.428 3.674 -0.430 1.00 42.32 H new ATOM 0 HG21 ILE A 66 -5.012 5.028 -1.026 1.00 1.53 H new ATOM 0 HG22 ILE A 66 -4.440 3.649 -1.994 1.00 1.53 H new ATOM 0 HG23 ILE A 66 -5.625 4.785 -2.679 1.00 1.53 H new ATOM 0 HD11 ILE A 66 -8.204 5.963 0.407 1.00 11.55 H new ATOM 0 HD12 ILE A 66 -6.940 4.919 1.101 1.00 11.55 H new ATOM 0 HD13 ILE A 66 -6.540 6.044 -0.219 1.00 11.55 H new ATOM 1099 N ASP A 67 -5.339 1.379 -3.909 1.00 44.44 N ATOM 1100 CA ASP A 67 -4.237 0.529 -4.375 1.00 11.41 C ATOM 1101 C ASP A 67 -2.892 1.272 -4.300 1.00 63.12 C ATOM 1102 O ASP A 67 -2.799 2.441 -4.673 1.00 30.44 O ATOM 1103 CB ASP A 67 -4.497 0.067 -5.816 1.00 65.00 C ATOM 1104 CG ASP A 67 -5.831 -0.645 -5.975 1.00 3.12 C ATOM 1105 OD1 ASP A 67 -6.073 -1.635 -5.255 1.00 42.12 O ATOM 1106 OD2 ASP A 67 -6.635 -0.238 -6.838 1.00 42.31 O ATOM 0 H ASP A 67 -5.832 1.874 -4.652 1.00 44.44 H new ATOM 0 HA ASP A 67 -4.185 -0.341 -3.721 1.00 11.41 H new ATOM 0 HB2 ASP A 67 -4.470 0.931 -6.480 1.00 65.00 H new ATOM 0 HB3 ASP A 67 -3.694 -0.601 -6.129 1.00 65.00 H new ATOM 1111 N PHE A 68 -1.851 0.592 -3.815 1.00 73.24 N ATOM 1112 CA PHE A 68 -0.521 1.207 -3.678 1.00 51.35 C ATOM 1113 C PHE A 68 0.494 0.606 -4.663 1.00 53.32 C ATOM 1114 O PHE A 68 0.356 -0.536 -5.103 1.00 63.12 O ATOM 1115 CB PHE A 68 0.003 1.042 -2.245 1.00 70.53 C ATOM 1116 CG PHE A 68 -0.917 1.601 -1.191 1.00 11.44 C ATOM 1117 CD1 PHE A 68 -1.473 2.864 -1.329 1.00 55.22 C ATOM 1118 CD2 PHE A 68 -1.226 0.860 -0.060 1.00 62.14 C ATOM 1119 CE1 PHE A 68 -2.314 3.375 -0.363 1.00 23.52 C ATOM 1120 CE2 PHE A 68 -2.067 1.367 0.909 1.00 22.54 C ATOM 1121 CZ PHE A 68 -2.613 2.626 0.757 1.00 30.44 C ATOM 0 H PHE A 68 -1.898 -0.380 -3.511 1.00 73.24 H new ATOM 0 HA PHE A 68 -0.634 2.266 -3.909 1.00 51.35 H new ATOM 0 HB2 PHE A 68 0.165 -0.018 -2.047 1.00 70.53 H new ATOM 0 HB3 PHE A 68 0.973 1.533 -2.164 1.00 70.53 H new ATOM 0 HD1 PHE A 68 -1.244 3.455 -2.204 1.00 55.22 H new ATOM 0 HD2 PHE A 68 -0.803 -0.126 0.064 1.00 62.14 H new ATOM 0 HE1 PHE A 68 -2.738 4.361 -0.483 1.00 23.52 H new ATOM 0 HE2 PHE A 68 -2.298 0.780 1.785 1.00 22.54 H new ATOM 0 HZ PHE A 68 -3.273 3.024 1.513 1.00 30.44 H new ATOM 1131 N LYS A 69 1.521 1.390 -4.983 1.00 41.45 N ATOM 1132 CA LYS A 69 2.599 0.961 -5.882 1.00 11.54 C ATOM 1133 C LYS A 69 3.970 1.298 -5.280 1.00 52.23 C ATOM 1134 O LYS A 69 4.147 2.360 -4.685 1.00 64.22 O ATOM 1135 CB LYS A 69 2.451 1.656 -7.243 1.00 23.15 C ATOM 1136 CG LYS A 69 3.587 1.361 -8.220 1.00 23.05 C ATOM 1137 CD LYS A 69 3.429 2.129 -9.528 1.00 40.34 C ATOM 1138 CE LYS A 69 3.461 3.637 -9.307 1.00 33.01 C ATOM 1139 NZ LYS A 69 3.326 4.391 -10.580 1.00 3.25 N ATOM 0 H LYS A 69 1.633 2.340 -4.629 1.00 41.45 H new ATOM 0 HA LYS A 69 2.529 -0.119 -6.014 1.00 11.54 H new ATOM 0 HB2 LYS A 69 1.508 1.349 -7.695 1.00 23.15 H new ATOM 0 HB3 LYS A 69 2.393 2.733 -7.085 1.00 23.15 H new ATOM 0 HG2 LYS A 69 4.539 1.623 -7.759 1.00 23.05 H new ATOM 0 HG3 LYS A 69 3.617 0.292 -8.429 1.00 23.05 H new ATOM 0 HD2 LYS A 69 4.227 1.845 -10.215 1.00 40.34 H new ATOM 0 HD3 LYS A 69 2.487 1.851 -10.001 1.00 40.34 H new ATOM 0 HE2 LYS A 69 2.655 3.921 -8.631 1.00 33.01 H new ATOM 0 HE3 LYS A 69 4.397 3.912 -8.821 1.00 33.01 H new ATOM 0 HZ1 LYS A 69 3.421 5.409 -10.392 1.00 3.25 H new ATOM 0 HZ2 LYS A 69 4.070 4.090 -11.242 1.00 3.25 H new ATOM 0 HZ3 LYS A 69 2.393 4.202 -10.998 1.00 3.25 H new ATOM 1153 N TYR A 70 4.940 0.404 -5.450 1.00 3.11 N ATOM 1154 CA TYR A 70 6.296 0.635 -4.942 1.00 3.30 C ATOM 1155 C TYR A 70 7.142 1.367 -5.991 1.00 75.43 C ATOM 1156 O TYR A 70 7.181 0.968 -7.152 1.00 32.32 O ATOM 1157 CB TYR A 70 6.963 -0.697 -4.583 1.00 73.45 C ATOM 1158 CG TYR A 70 8.320 -0.543 -3.916 1.00 5.52 C ATOM 1159 CD1 TYR A 70 9.490 -0.487 -4.668 1.00 64.22 C ATOM 1160 CD2 TYR A 70 8.427 -0.456 -2.533 1.00 44.23 C ATOM 1161 CE1 TYR A 70 10.722 -0.347 -4.062 1.00 51.31 C ATOM 1162 CE2 TYR A 70 9.656 -0.314 -1.921 1.00 34.32 C ATOM 1163 CZ TYR A 70 10.799 -0.262 -2.689 1.00 51.13 C ATOM 1164 OH TYR A 70 12.025 -0.134 -2.081 1.00 74.12 O ATOM 0 H TYR A 70 4.817 -0.486 -5.934 1.00 3.11 H new ATOM 0 HA TYR A 70 6.226 1.253 -4.047 1.00 3.30 H new ATOM 0 HB2 TYR A 70 6.303 -1.256 -3.919 1.00 73.45 H new ATOM 0 HB3 TYR A 70 7.079 -1.290 -5.490 1.00 73.45 H new ATOM 0 HD1 TYR A 70 9.433 -0.554 -5.744 1.00 64.22 H new ATOM 0 HD2 TYR A 70 7.534 -0.500 -1.927 1.00 44.23 H new ATOM 0 HE1 TYR A 70 11.620 -0.304 -4.660 1.00 51.31 H new ATOM 0 HE2 TYR A 70 9.722 -0.244 -0.845 1.00 34.32 H new ATOM 0 HH TYR A 70 11.905 -0.086 -1.110 1.00 74.12 H new ATOM 1174 N ILE A 71 7.828 2.429 -5.579 1.00 44.22 N ATOM 1175 CA ILE A 71 8.650 3.217 -6.505 1.00 75.44 C ATOM 1176 C ILE A 71 10.086 3.406 -5.983 1.00 33.40 C ATOM 1177 O ILE A 71 10.300 3.610 -4.786 1.00 63.24 O ATOM 1178 CB ILE A 71 8.016 4.608 -6.770 1.00 25.53 C ATOM 1179 CG1 ILE A 71 7.838 5.381 -5.453 1.00 53.43 C ATOM 1180 CG2 ILE A 71 6.677 4.459 -7.492 1.00 71.31 C ATOM 1181 CD1 ILE A 71 7.305 6.785 -5.637 1.00 72.30 C ATOM 0 H ILE A 71 7.834 2.766 -4.616 1.00 44.22 H new ATOM 0 HA ILE A 71 8.692 2.654 -7.437 1.00 75.44 H new ATOM 0 HB ILE A 71 8.690 5.176 -7.412 1.00 25.53 H new ATOM 0 HG12 ILE A 71 7.159 4.826 -4.806 1.00 53.43 H new ATOM 0 HG13 ILE A 71 8.798 5.431 -4.939 1.00 53.43 H new ATOM 0 HG21 ILE A 71 6.247 5.445 -7.669 1.00 71.31 H new ATOM 0 HG22 ILE A 71 6.832 3.954 -8.445 1.00 71.31 H new ATOM 0 HG23 ILE A 71 5.995 3.872 -6.877 1.00 71.31 H new ATOM 0 HD11 ILE A 71 7.206 7.267 -4.664 1.00 72.30 H new ATOM 0 HD12 ILE A 71 7.994 7.358 -6.257 1.00 72.30 H new ATOM 0 HD13 ILE A 71 6.330 6.743 -6.122 1.00 72.30 H new ATOM 1193 N PRO A 72 11.097 3.317 -6.872 1.00 14.34 N ATOM 1194 CA PRO A 72 12.496 3.589 -6.511 1.00 75.41 C ATOM 1195 C PRO A 72 12.744 5.093 -6.305 1.00 73.44 C ATOM 1196 O PRO A 72 12.734 5.871 -7.262 1.00 1.45 O ATOM 1197 CB PRO A 72 13.303 3.058 -7.717 1.00 54.23 C ATOM 1198 CG PRO A 72 12.317 2.322 -8.572 1.00 44.41 C ATOM 1199 CD PRO A 72 10.973 2.934 -8.285 1.00 32.11 C ATOM 0 HA PRO A 72 12.779 3.116 -5.571 1.00 75.41 H new ATOM 0 HB2 PRO A 72 13.766 3.876 -8.269 1.00 54.23 H new ATOM 0 HB3 PRO A 72 14.107 2.399 -7.390 1.00 54.23 H new ATOM 0 HG2 PRO A 72 12.570 2.417 -9.628 1.00 44.41 H new ATOM 0 HG3 PRO A 72 12.318 1.257 -8.338 1.00 44.41 H new ATOM 0 HD2 PRO A 72 10.774 3.795 -8.923 1.00 32.11 H new ATOM 0 HD3 PRO A 72 10.161 2.224 -8.444 1.00 32.11 H new ATOM 1207 N LEU A 73 12.940 5.504 -5.056 1.00 73.23 N ATOM 1208 CA LEU A 73 13.143 6.920 -4.739 1.00 61.02 C ATOM 1209 C LEU A 73 14.590 7.346 -5.052 1.00 55.01 C ATOM 1210 O LEU A 73 15.530 6.978 -4.342 1.00 12.11 O ATOM 1211 CB LEU A 73 12.790 7.186 -3.260 1.00 0.30 C ATOM 1212 CG LEU A 73 12.554 8.665 -2.869 1.00 14.34 C ATOM 1213 CD1 LEU A 73 11.859 8.757 -1.513 1.00 64.44 C ATOM 1214 CD2 LEU A 73 13.860 9.459 -2.841 1.00 70.42 C ATOM 0 H LEU A 73 12.963 4.882 -4.248 1.00 73.23 H new ATOM 0 HA LEU A 73 12.480 7.520 -5.363 1.00 61.02 H new ATOM 0 HB2 LEU A 73 11.892 6.619 -3.015 1.00 0.30 H new ATOM 0 HB3 LEU A 73 13.595 6.792 -2.639 1.00 0.30 H new ATOM 0 HG LEU A 73 11.911 9.103 -3.632 1.00 14.34 H new ATOM 0 HD11 LEU A 73 11.702 9.804 -1.255 1.00 64.44 H new ATOM 0 HD12 LEU A 73 10.897 8.247 -1.562 1.00 64.44 H new ATOM 0 HD13 LEU A 73 12.481 8.286 -0.752 1.00 64.44 H new ATOM 0 HD21 LEU A 73 13.652 10.492 -2.562 1.00 70.42 H new ATOM 0 HD22 LEU A 73 14.539 9.016 -2.112 1.00 70.42 H new ATOM 0 HD23 LEU A 73 14.321 9.435 -3.828 1.00 70.42 H new ATOM 1226 N GLU A 74 14.755 8.106 -6.133 1.00 41.32 N ATOM 1227 CA GLU A 74 16.071 8.620 -6.539 1.00 31.34 C ATOM 1228 C GLU A 74 16.253 10.090 -6.105 1.00 14.44 C ATOM 1229 O GLU A 74 17.050 10.354 -5.175 1.00 37.92 O ATOM 1230 CB GLU A 74 16.232 8.487 -8.064 1.00 4.34 C ATOM 1231 CG GLU A 74 16.156 7.046 -8.567 1.00 51.41 C ATOM 1232 CD GLU A 74 16.233 6.944 -10.084 1.00 41.21 C ATOM 1233 OE1 GLU A 74 17.356 6.978 -10.634 1.00 2.31 O ATOM 1234 OE2 GLU A 74 15.172 6.831 -10.734 1.00 41.32 O ATOM 0 H GLU A 74 13.991 8.383 -6.750 1.00 41.32 H new ATOM 0 HA GLU A 74 16.841 8.029 -6.043 1.00 31.34 H new ATOM 0 HB2 GLU A 74 15.457 9.075 -8.555 1.00 4.34 H new ATOM 0 HB3 GLU A 74 17.190 8.915 -8.358 1.00 4.34 H new ATOM 0 HG2 GLU A 74 16.970 6.469 -8.127 1.00 51.41 H new ATOM 0 HG3 GLU A 74 15.225 6.595 -8.224 1.00 51.41 H new TER 1241 GLU A 74