USER MOD reduce.3.24.130724 H: found=0, std=0, add=763, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 640 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 1 GLY N :NH3+ 134:sc= 0.0132 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= -0.317 X(o=-0.32,f=-0.23) USER MOD Single : A 3 MET CE :methyl -177:sc= 0 (180deg=-0.022) USER MOD Single : A 4 ASN : amide:sc=-0.00313 X(o=-0.0031,f=-0.16) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.0699 USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.0403 USER MOD Single : A 17 CYS SG : rot 46:sc= 0.232 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN :FLIP amide:sc= -0.523 F(o=-1.6,f=-0.52) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 MET CE :methyl -178:sc= -0.0431 (180deg=-0.051) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= 0.689 K(o=0.69,f=-8.5!) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 140:sc= 1.92 (180deg=0.104) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 172:sc= 0 USER MOD Single : A 74 THR OG1 : rot 21:sc= 1.07 USER MOD Single : A 76 GLN :FLIP amide:sc= -0.781 F(o=-2!,f=-0.78) USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=-0.081) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -15.593 16.819 -4.780 1.00 60.44 N ATOM 2 CA GLY A 1 -14.870 17.176 -6.005 1.00 21.25 C ATOM 3 C GLY A 1 -13.661 18.027 -5.668 1.00 42.33 C ATOM 4 O GLY A 1 -13.755 18.934 -4.842 1.00 64.43 O ATOM 0 H1 GLY A 1 -16.612 16.971 -4.922 1.00 60.44 H new ATOM 0 H2 GLY A 1 -15.420 15.819 -4.554 1.00 60.44 H new ATOM 0 H3 GLY A 1 -15.260 17.414 -3.995 1.00 60.44 H new ATOM 0 HA2 GLY A 1 -14.554 16.272 -6.526 1.00 21.25 H new ATOM 0 HA3 GLY A 1 -15.530 17.720 -6.681 1.00 21.25 H new ATOM 8 N HIS A 2 -12.522 17.757 -6.307 1.00 61.42 N ATOM 9 CA HIS A 2 -11.370 18.656 -6.308 1.00 40.35 C ATOM 10 C HIS A 2 -11.685 19.934 -7.097 1.00 43.14 C ATOM 11 O HIS A 2 -12.711 20.021 -7.776 1.00 13.00 O ATOM 12 CB HIS A 2 -10.154 17.913 -6.901 1.00 40.44 C ATOM 13 CG HIS A 2 -10.457 17.072 -8.124 1.00 33.11 C ATOM 14 ND1 HIS A 2 -10.115 15.749 -8.285 1.00 11.24 N ATOM 15 CD2 HIS A 2 -11.187 17.442 -9.222 1.00 13.00 C ATOM 16 CE1 HIS A 2 -10.667 15.317 -9.431 1.00 4.01 C ATOM 17 NE2 HIS A 2 -11.367 16.306 -10.021 1.00 52.13 N ATOM 0 H HIS A 2 -12.373 16.901 -6.842 1.00 61.42 H new ATOM 0 HA HIS A 2 -11.136 18.956 -5.287 1.00 40.35 H new ATOM 0 HB2 HIS A 2 -9.390 18.646 -7.162 1.00 40.44 H new ATOM 0 HB3 HIS A 2 -9.729 17.269 -6.131 1.00 40.44 H new ATOM 0 HD2 HIS A 2 -11.558 18.434 -9.434 1.00 13.00 H new ATOM 0 HE1 HIS A 2 -10.564 14.317 -9.825 1.00 4.01 H new ATOM 0 HE2 HIS A 2 -11.917 16.240 -10.877 1.00 52.13 H new ATOM 24 N MET A 3 -10.754 20.887 -7.075 1.00 72.11 N ATOM 25 CA MET A 3 -10.607 21.901 -8.111 1.00 64.31 C ATOM 26 C MET A 3 -9.179 21.795 -8.613 1.00 40.13 C ATOM 27 O MET A 3 -8.980 21.417 -9.768 1.00 51.11 O ATOM 28 CB MET A 3 -10.951 23.317 -7.614 1.00 52.43 C ATOM 29 CG MET A 3 -12.447 23.637 -7.726 1.00 43.11 C ATOM 30 SD MET A 3 -13.210 23.437 -9.370 1.00 31.42 S ATOM 31 CE MET A 3 -12.136 24.472 -10.408 1.00 32.40 C ATOM 0 H MET A 3 -10.071 20.975 -6.323 1.00 72.11 H new ATOM 0 HA MET A 3 -11.316 21.724 -8.919 1.00 64.31 H new ATOM 0 HB2 MET A 3 -10.639 23.419 -6.575 1.00 52.43 H new ATOM 0 HB3 MET A 3 -10.383 24.048 -8.190 1.00 52.43 H new ATOM 0 HG2 MET A 3 -12.984 23.001 -7.023 1.00 43.11 H new ATOM 0 HG3 MET A 3 -12.599 24.667 -7.404 1.00 43.11 H new ATOM 0 HE1 MET A 3 -12.519 24.484 -11.429 1.00 32.40 H new ATOM 0 HE2 MET A 3 -12.120 25.488 -10.014 1.00 32.40 H new ATOM 0 HE3 MET A 3 -11.125 24.065 -10.404 1.00 32.40 H new ATOM 39 N ASN A 4 -8.196 22.045 -7.746 1.00 64.51 N ATOM 40 CA ASN A 4 -6.787 21.805 -8.031 1.00 72.24 C ATOM 41 C ASN A 4 -6.215 20.838 -6.995 1.00 43.14 C ATOM 42 O ASN A 4 -6.838 20.595 -5.961 1.00 2.02 O ATOM 43 CB ASN A 4 -5.998 23.123 -8.049 1.00 41.23 C ATOM 44 CG ASN A 4 -4.840 23.025 -9.031 1.00 62.45 C ATOM 45 OD1 ASN A 4 -5.058 22.816 -10.214 1.00 43.43 O ATOM 46 ND2 ASN A 4 -3.597 23.123 -8.597 1.00 71.32 N ATOM 0 H ASN A 4 -8.362 22.425 -6.814 1.00 64.51 H new ATOM 0 HA ASN A 4 -6.696 21.357 -9.021 1.00 72.24 H new ATOM 0 HB2 ASN A 4 -6.655 23.946 -8.331 1.00 41.23 H new ATOM 0 HB3 ASN A 4 -5.621 23.344 -7.051 1.00 41.23 H new ATOM 0 HD21 ASN A 4 -2.820 23.024 -9.250 1.00 71.32 H new ATOM 0 HD22 ASN A 4 -3.414 23.298 -7.609 1.00 71.32 H new ATOM 52 N LEU A 5 -5.036 20.292 -7.289 1.00 12.02 N ATOM 53 CA LEU A 5 -4.282 19.364 -6.444 1.00 13.20 C ATOM 54 C LEU A 5 -3.585 20.141 -5.306 1.00 43.42 C ATOM 55 O LEU A 5 -3.507 21.377 -5.354 1.00 41.32 O ATOM 56 CB LEU A 5 -3.265 18.640 -7.370 1.00 62.11 C ATOM 57 CG LEU A 5 -3.164 17.104 -7.309 1.00 40.24 C ATOM 58 CD1 LEU A 5 -2.417 16.624 -6.073 1.00 24.34 C ATOM 59 CD2 LEU A 5 -4.523 16.405 -7.421 1.00 13.35 C ATOM 0 H LEU A 5 -4.556 20.494 -8.166 1.00 12.02 H new ATOM 0 HA LEU A 5 -4.929 18.629 -5.966 1.00 13.20 H new ATOM 0 HB2 LEU A 5 -3.503 18.914 -8.398 1.00 62.11 H new ATOM 0 HB3 LEU A 5 -2.276 19.044 -7.153 1.00 62.11 H new ATOM 0 HG LEU A 5 -2.584 16.821 -8.188 1.00 40.24 H new ATOM 0 HD11 LEU A 5 -2.372 15.535 -6.075 1.00 24.34 H new ATOM 0 HD12 LEU A 5 -1.405 17.029 -6.079 1.00 24.34 H new ATOM 0 HD13 LEU A 5 -2.938 16.964 -5.178 1.00 24.34 H new ATOM 0 HD21 LEU A 5 -4.382 15.325 -7.371 1.00 13.35 H new ATOM 0 HD22 LEU A 5 -5.166 16.725 -6.601 1.00 13.35 H new ATOM 0 HD23 LEU A 5 -4.989 16.667 -8.371 1.00 13.35 H new ATOM 70 N THR A 6 -3.039 19.453 -4.304 1.00 14.04 N ATOM 71 CA THR A 6 -2.118 20.010 -3.307 1.00 44.22 C ATOM 72 C THR A 6 -0.796 19.224 -3.292 1.00 43.31 C ATOM 73 O THR A 6 -0.771 18.041 -3.651 1.00 0.53 O ATOM 74 CB THR A 6 -2.796 20.181 -1.917 1.00 4.20 C ATOM 75 OG1 THR A 6 -1.870 20.142 -0.859 1.00 63.11 O ATOM 76 CG2 THR A 6 -3.941 19.244 -1.531 1.00 54.41 C ATOM 0 H THR A 6 -3.230 18.462 -4.157 1.00 14.04 H new ATOM 0 HA THR A 6 -1.852 21.026 -3.598 1.00 44.22 H new ATOM 0 HB THR A 6 -3.248 21.162 -2.063 1.00 4.20 H new ATOM 0 HG1 THR A 6 -2.341 20.255 -0.007 1.00 63.11 H new ATOM 0 HG21 THR A 6 -4.299 19.499 -0.534 1.00 54.41 H new ATOM 0 HG22 THR A 6 -4.756 19.351 -2.247 1.00 54.41 H new ATOM 0 HG23 THR A 6 -3.586 18.214 -1.537 1.00 54.41 H new ATOM 84 N PRO A 7 0.319 19.839 -2.848 1.00 12.12 N ATOM 85 CA PRO A 7 1.542 19.105 -2.560 1.00 2.00 C ATOM 86 C PRO A 7 1.314 17.970 -1.558 1.00 33.42 C ATOM 87 O PRO A 7 1.888 16.894 -1.731 1.00 12.30 O ATOM 88 CB PRO A 7 2.535 20.140 -2.026 1.00 4.20 C ATOM 89 CG PRO A 7 1.648 21.283 -1.527 1.00 41.32 C ATOM 90 CD PRO A 7 0.490 21.251 -2.517 1.00 15.53 C ATOM 0 HA PRO A 7 1.921 18.616 -3.457 1.00 2.00 H new ATOM 0 HB2 PRO A 7 3.146 19.729 -1.222 1.00 4.20 H new ATOM 0 HB3 PRO A 7 3.218 20.477 -2.806 1.00 4.20 H new ATOM 0 HG2 PRO A 7 1.312 21.120 -0.503 1.00 41.32 H new ATOM 0 HG3 PRO A 7 2.170 22.240 -1.543 1.00 41.32 H new ATOM 0 HD2 PRO A 7 -0.417 21.667 -2.078 1.00 15.53 H new ATOM 0 HD3 PRO A 7 0.713 21.841 -3.406 1.00 15.53 H new ATOM 95 N GLU A 8 0.468 18.200 -0.552 1.00 40.02 N ATOM 96 CA GLU A 8 0.205 17.289 0.558 1.00 63.35 C ATOM 97 C GLU A 8 -0.692 16.135 0.112 1.00 22.24 C ATOM 98 O GLU A 8 -0.708 15.071 0.724 1.00 44.55 O ATOM 99 CB GLU A 8 -0.520 18.066 1.660 1.00 31.33 C ATOM 100 CG GLU A 8 0.257 19.278 2.202 1.00 24.32 C ATOM 101 CD GLU A 8 -0.643 20.302 2.899 1.00 12.00 C ATOM 102 OE1 GLU A 8 -1.873 20.103 3.024 1.00 44.54 O ATOM 103 OE2 GLU A 8 -0.160 21.406 3.234 1.00 14.04 O ATOM 0 H GLU A 8 -0.074 19.062 -0.488 1.00 40.02 H new ATOM 0 HA GLU A 8 1.152 16.884 0.915 1.00 63.35 H new ATOM 0 HB2 GLU A 8 -1.480 18.409 1.274 1.00 31.33 H new ATOM 0 HB3 GLU A 8 -0.732 17.387 2.486 1.00 31.33 H new ATOM 0 HG2 GLU A 8 1.016 18.932 2.904 1.00 24.32 H new ATOM 0 HG3 GLU A 8 0.782 19.764 1.379 1.00 24.32 H new ATOM 108 N GLU A 9 -1.428 16.316 -0.983 1.00 24.25 N ATOM 109 CA GLU A 9 -2.196 15.251 -1.597 1.00 12.45 C ATOM 110 C GLU A 9 -1.245 14.213 -2.171 1.00 25.32 C ATOM 111 O GLU A 9 -1.594 13.039 -2.176 1.00 11.40 O ATOM 112 CB GLU A 9 -3.097 15.791 -2.714 1.00 14.14 C ATOM 113 CG GLU A 9 -4.587 15.643 -2.400 1.00 53.53 C ATOM 114 CD GLU A 9 -5.457 16.164 -3.543 1.00 15.53 C ATOM 115 OE1 GLU A 9 -5.372 17.369 -3.867 1.00 31.13 O ATOM 116 OE2 GLU A 9 -6.258 15.373 -4.103 1.00 42.04 O ATOM 0 H GLU A 9 -1.504 17.211 -1.466 1.00 24.25 H new ATOM 0 HA GLU A 9 -2.830 14.799 -0.834 1.00 12.45 H new ATOM 0 HB2 GLU A 9 -2.869 16.844 -2.881 1.00 14.14 H new ATOM 0 HB3 GLU A 9 -2.872 15.265 -3.642 1.00 14.14 H new ATOM 0 HG2 GLU A 9 -4.818 14.594 -2.215 1.00 53.53 H new ATOM 0 HG3 GLU A 9 -4.823 16.187 -1.485 1.00 53.53 H new ATOM 121 N ARG A 10 -0.065 14.609 -2.663 1.00 54.43 N ATOM 122 CA ARG A 10 0.889 13.633 -3.171 1.00 53.41 C ATOM 123 C ARG A 10 1.384 12.736 -2.041 1.00 71.22 C ATOM 124 O ARG A 10 1.486 11.533 -2.248 1.00 1.32 O ATOM 125 CB ARG A 10 2.044 14.301 -3.949 1.00 34.30 C ATOM 126 CG ARG A 10 1.903 14.091 -5.464 1.00 44.43 C ATOM 127 CD ARG A 10 1.168 15.169 -6.274 1.00 3.11 C ATOM 128 NE ARG A 10 0.598 14.595 -7.508 1.00 34.12 N ATOM 129 CZ ARG A 10 1.284 14.064 -8.528 1.00 0.10 C ATOM 130 NH1 ARG A 10 2.599 14.211 -8.626 1.00 41.43 N ATOM 131 NH2 ARG A 10 0.655 13.348 -9.449 1.00 51.24 N ATOM 0 H ARG A 10 0.242 15.580 -2.717 1.00 54.43 H new ATOM 0 HA ARG A 10 0.375 12.999 -3.893 1.00 53.41 H new ATOM 0 HB2 ARG A 10 2.061 15.369 -3.729 1.00 34.30 H new ATOM 0 HB3 ARG A 10 2.996 13.891 -3.611 1.00 34.30 H new ATOM 0 HG2 ARG A 10 2.904 13.984 -5.881 1.00 44.43 H new ATOM 0 HG3 ARG A 10 1.388 13.144 -5.624 1.00 44.43 H new ATOM 0 HD2 ARG A 10 0.373 15.607 -5.670 1.00 3.11 H new ATOM 0 HD3 ARG A 10 1.857 15.975 -6.526 1.00 3.11 H new ATOM 0 HE ARG A 10 -0.418 14.604 -7.592 1.00 34.12 H new ATOM 0 HH11 ARG A 10 3.108 14.737 -7.916 1.00 41.43 H new ATOM 0 HH12 ARG A 10 3.101 13.798 -9.412 1.00 41.43 H new ATOM 0 HH21 ARG A 10 -0.352 13.201 -9.381 1.00 51.24 H new ATOM 0 HH22 ARG A 10 1.178 12.944 -10.226 1.00 51.24 H new ATOM 142 N ASP A 11 1.599 13.287 -0.844 1.00 45.23 N ATOM 143 CA ASP A 11 1.994 12.510 0.334 1.00 52.53 C ATOM 144 C ASP A 11 0.993 11.385 0.599 1.00 22.43 C ATOM 145 O ASP A 11 1.383 10.278 0.960 1.00 41.32 O ATOM 146 CB ASP A 11 2.078 13.428 1.559 1.00 32.42 C ATOM 147 CG ASP A 11 2.772 12.778 2.765 1.00 5.02 C ATOM 148 OD1 ASP A 11 3.969 12.413 2.680 1.00 31.35 O ATOM 149 OD2 ASP A 11 2.139 12.706 3.850 1.00 73.42 O ATOM 0 H ASP A 11 1.504 14.286 -0.664 1.00 45.23 H new ATOM 0 HA ASP A 11 2.972 12.068 0.144 1.00 52.53 H new ATOM 0 HB2 ASP A 11 2.616 14.336 1.286 1.00 32.42 H new ATOM 0 HB3 ASP A 11 1.071 13.728 1.848 1.00 32.42 H new ATOM 153 N ALA A 12 -0.299 11.657 0.393 1.00 11.50 N ATOM 154 CA ALA A 12 -1.391 10.728 0.707 1.00 1.42 C ATOM 155 C ALA A 12 -1.649 9.608 -0.330 1.00 41.13 C ATOM 156 O ALA A 12 -2.580 8.820 -0.154 1.00 71.32 O ATOM 157 CB ALA A 12 -2.662 11.544 0.963 1.00 13.20 C ATOM 0 H ALA A 12 -0.621 12.541 -0.002 1.00 11.50 H new ATOM 0 HA ALA A 12 -1.078 10.180 1.596 1.00 1.42 H new ATOM 0 HB1 ALA A 12 -3.486 10.870 1.198 1.00 13.20 H new ATOM 0 HB2 ALA A 12 -2.497 12.222 1.801 1.00 13.20 H new ATOM 0 HB3 ALA A 12 -2.909 12.122 0.072 1.00 13.20 H new ATOM 163 N ARG A 13 -0.872 9.496 -1.417 1.00 20.43 N ATOM 164 CA ARG A 13 -1.033 8.434 -2.435 1.00 34.31 C ATOM 165 C ARG A 13 -0.645 7.045 -1.935 1.00 55.31 C ATOM 166 O ARG A 13 -0.877 6.063 -2.648 1.00 64.11 O ATOM 167 CB ARG A 13 -0.211 8.813 -3.675 1.00 63.42 C ATOM 168 CG ARG A 13 -1.128 9.459 -4.711 1.00 63.12 C ATOM 169 CD ARG A 13 -2.009 10.605 -4.177 1.00 12.40 C ATOM 170 NE ARG A 13 -3.331 10.088 -3.782 1.00 60.43 N ATOM 171 CZ ARG A 13 -4.239 10.619 -2.947 1.00 12.03 C ATOM 172 NH1 ARG A 13 -4.041 11.798 -2.380 1.00 42.11 N ATOM 173 NH2 ARG A 13 -5.374 9.967 -2.713 1.00 4.00 N ATOM 0 H ARG A 13 -0.108 10.141 -1.621 1.00 20.43 H new ATOM 0 HA ARG A 13 -2.093 8.370 -2.680 1.00 34.31 H new ATOM 0 HB2 ARG A 13 0.587 9.502 -3.399 1.00 63.42 H new ATOM 0 HB3 ARG A 13 0.264 7.927 -4.095 1.00 63.42 H new ATOM 0 HG2 ARG A 13 -0.516 9.842 -5.527 1.00 63.12 H new ATOM 0 HG3 ARG A 13 -1.775 8.689 -5.132 1.00 63.12 H new ATOM 0 HD2 ARG A 13 -1.525 11.078 -3.322 1.00 12.40 H new ATOM 0 HD3 ARG A 13 -2.124 11.372 -4.943 1.00 12.40 H new ATOM 0 HE ARG A 13 -3.595 9.198 -4.204 1.00 60.43 H new ATOM 0 HH11 ARG A 13 -3.187 12.320 -2.574 1.00 42.11 H new ATOM 0 HH12 ARG A 13 -4.743 12.185 -1.749 1.00 42.11 H new ATOM 0 HH21 ARG A 13 -5.550 9.070 -3.166 1.00 4.00 H new ATOM 0 HH22 ARG A 13 -6.069 10.363 -2.080 1.00 4.00 H new ATOM 184 N THR A 14 -0.036 6.947 -0.761 1.00 63.52 N ATOM 185 CA THR A 14 0.386 5.704 -0.150 1.00 2.42 C ATOM 186 C THR A 14 -0.805 4.760 0.015 1.00 4.03 C ATOM 187 O THR A 14 -1.903 5.194 0.365 1.00 5.14 O ATOM 188 CB THR A 14 1.037 6.045 1.195 1.00 23.44 C ATOM 189 OG1 THR A 14 1.914 7.133 1.026 1.00 20.14 O ATOM 190 CG2 THR A 14 1.833 4.887 1.787 1.00 61.43 C ATOM 0 H THR A 14 0.184 7.764 -0.191 1.00 63.52 H new ATOM 0 HA THR A 14 1.108 5.186 -0.780 1.00 2.42 H new ATOM 0 HB THR A 14 0.225 6.281 1.882 1.00 23.44 H new ATOM 0 HG1 THR A 14 2.330 7.354 1.885 1.00 20.14 H new ATOM 0 HG21 THR A 14 2.268 5.193 2.738 1.00 61.43 H new ATOM 0 HG22 THR A 14 1.172 4.036 1.948 1.00 61.43 H new ATOM 0 HG23 THR A 14 2.629 4.603 1.099 1.00 61.43 H new ATOM 198 N VAL A 15 -0.591 3.460 -0.173 1.00 2.04 N ATOM 199 CA VAL A 15 -1.596 2.430 0.028 1.00 33.44 C ATOM 200 C VAL A 15 -1.123 1.519 1.147 1.00 34.32 C ATOM 201 O VAL A 15 -0.051 0.911 1.096 1.00 45.53 O ATOM 202 CB VAL A 15 -1.953 1.690 -1.270 1.00 0.44 C ATOM 203 CG1 VAL A 15 -2.568 2.689 -2.261 1.00 72.33 C ATOM 204 CG2 VAL A 15 -0.779 0.969 -1.943 1.00 42.02 C ATOM 0 H VAL A 15 0.309 3.089 -0.477 1.00 2.04 H new ATOM 0 HA VAL A 15 -2.539 2.886 0.329 1.00 33.44 H new ATOM 0 HB VAL A 15 -2.658 0.909 -0.988 1.00 0.44 H new ATOM 0 HG11 VAL A 15 -2.825 2.173 -3.186 1.00 72.33 H new ATOM 0 HG12 VAL A 15 -3.468 3.125 -1.827 1.00 72.33 H new ATOM 0 HG13 VAL A 15 -1.849 3.479 -2.474 1.00 72.33 H new ATOM 0 HG21 VAL A 15 -1.127 0.476 -2.851 1.00 42.02 H new ATOM 0 HG22 VAL A 15 -0.005 1.693 -2.197 1.00 42.02 H new ATOM 0 HG23 VAL A 15 -0.369 0.225 -1.260 1.00 42.02 H new ATOM 214 N PHE A 16 -1.900 1.512 2.221 1.00 32.22 N ATOM 215 CA PHE A 16 -1.746 0.588 3.312 1.00 33.13 C ATOM 216 C PHE A 16 -2.123 -0.803 2.815 1.00 51.01 C ATOM 217 O PHE A 16 -3.218 -1.019 2.287 1.00 1.11 O ATOM 218 CB PHE A 16 -2.614 1.028 4.497 1.00 40.04 C ATOM 219 CG PHE A 16 -2.531 0.137 5.722 1.00 0.12 C ATOM 220 CD1 PHE A 16 -1.316 -0.479 6.081 1.00 63.34 C ATOM 221 CD2 PHE A 16 -3.683 -0.083 6.499 1.00 11.50 C ATOM 222 CE1 PHE A 16 -1.252 -1.359 7.168 1.00 4.50 C ATOM 223 CE2 PHE A 16 -3.613 -0.957 7.602 1.00 11.02 C ATOM 224 CZ PHE A 16 -2.405 -1.607 7.923 1.00 43.03 C ATOM 0 H PHE A 16 -2.670 2.168 2.351 1.00 32.22 H new ATOM 0 HA PHE A 16 -0.714 0.569 3.662 1.00 33.13 H new ATOM 0 HB2 PHE A 16 -2.326 2.040 4.783 1.00 40.04 H new ATOM 0 HB3 PHE A 16 -3.653 1.073 4.169 1.00 40.04 H new ATOM 0 HD1 PHE A 16 -0.423 -0.270 5.511 1.00 63.34 H new ATOM 0 HD2 PHE A 16 -4.611 0.412 6.253 1.00 11.50 H new ATOM 0 HE1 PHE A 16 -0.321 -1.843 7.422 1.00 4.50 H new ATOM 0 HE2 PHE A 16 -4.492 -1.130 8.206 1.00 11.02 H new ATOM 0 HZ PHE A 16 -2.368 -2.298 8.753 1.00 43.03 H new ATOM 233 N CYS A 17 -1.195 -1.735 2.981 1.00 73.25 N ATOM 234 CA CYS A 17 -1.312 -3.127 2.624 1.00 12.13 C ATOM 235 C CYS A 17 -1.288 -3.887 3.949 1.00 5.14 C ATOM 236 O CYS A 17 -0.241 -3.965 4.584 1.00 41.41 O ATOM 237 CB CYS A 17 -0.137 -3.513 1.710 1.00 11.01 C ATOM 238 SG CYS A 17 0.076 -2.354 0.322 1.00 24.11 S ATOM 0 H CYS A 17 -0.288 -1.518 3.394 1.00 73.25 H new ATOM 0 HA CYS A 17 -2.224 -3.357 2.073 1.00 12.13 H new ATOM 0 HB2 CYS A 17 0.781 -3.544 2.297 1.00 11.01 H new ATOM 0 HB3 CYS A 17 -0.300 -4.517 1.319 1.00 11.01 H new ATOM 0 HG CYS A 17 0.003 -1.133 0.761 1.00 24.11 H new ATOM 243 N MET A 18 -2.434 -4.387 4.402 1.00 12.04 N ATOM 244 CA MET A 18 -2.549 -5.215 5.603 1.00 61.22 C ATOM 245 C MET A 18 -2.963 -6.631 5.168 1.00 23.14 C ATOM 246 O MET A 18 -3.299 -6.813 3.995 1.00 20.30 O ATOM 247 CB MET A 18 -3.557 -4.576 6.560 1.00 35.32 C ATOM 248 CG MET A 18 -3.415 -5.118 7.992 1.00 45.34 C ATOM 249 SD MET A 18 -4.866 -6.009 8.586 1.00 52.02 S ATOM 250 CE MET A 18 -5.917 -4.584 8.932 1.00 21.14 C ATOM 0 H MET A 18 -3.327 -4.226 3.937 1.00 12.04 H new ATOM 0 HA MET A 18 -1.601 -5.285 6.136 1.00 61.22 H new ATOM 0 HB2 MET A 18 -3.416 -3.495 6.566 1.00 35.32 H new ATOM 0 HB3 MET A 18 -4.568 -4.764 6.200 1.00 35.32 H new ATOM 0 HG2 MET A 18 -2.551 -5.782 8.034 1.00 45.34 H new ATOM 0 HG3 MET A 18 -3.211 -4.286 8.666 1.00 45.34 H new ATOM 0 HE1 MET A 18 -6.878 -4.926 9.315 1.00 21.14 H new ATOM 0 HE2 MET A 18 -5.435 -3.948 9.675 1.00 21.14 H new ATOM 0 HE3 MET A 18 -6.073 -4.016 8.015 1.00 21.14 H new ATOM 258 N GLN A 19 -3.013 -7.591 6.103 1.00 33.24 N ATOM 259 CA GLN A 19 -3.376 -9.005 5.930 1.00 0.32 C ATOM 260 C GLN A 19 -2.253 -9.811 5.255 1.00 71.34 C ATOM 261 O GLN A 19 -2.493 -10.892 4.719 1.00 3.02 O ATOM 262 CB GLN A 19 -4.734 -9.117 5.209 1.00 44.21 C ATOM 263 CG GLN A 19 -5.519 -10.416 5.469 1.00 0.22 C ATOM 264 CD GLN A 19 -6.886 -10.405 4.780 1.00 43.42 C ATOM 265 OE1 GLN A 19 -6.922 -9.942 3.545 1.00 74.44 O flip ATOM 266 NE2 GLN A 19 -7.912 -10.795 5.338 1.00 34.10 N flip ATOM 0 H GLN A 19 -2.783 -7.383 7.075 1.00 33.24 H new ATOM 0 HA GLN A 19 -3.496 -9.460 6.913 1.00 0.32 H new ATOM 0 HB2 GLN A 19 -5.355 -8.272 5.508 1.00 44.21 H new ATOM 0 HB3 GLN A 19 -4.565 -9.024 4.136 1.00 44.21 H new ATOM 0 HG2 GLN A 19 -4.940 -11.268 5.112 1.00 0.22 H new ATOM 0 HG3 GLN A 19 -5.655 -10.550 6.542 1.00 0.22 H new ATOM 0 HE21 GLN A 19 -7.869 -11.151 6.293 1.00 34.10 H new ATOM 0 HE22 GLN A 19 -8.804 -10.763 4.845 1.00 34.10 H new ATOM 273 N LEU A 20 -1.029 -9.274 5.244 1.00 71.23 N ATOM 274 CA LEU A 20 0.072 -9.849 4.483 1.00 1.52 C ATOM 275 C LEU A 20 0.661 -11.074 5.187 1.00 12.33 C ATOM 276 O LEU A 20 0.444 -11.277 6.383 1.00 11.11 O ATOM 277 CB LEU A 20 1.169 -8.804 4.212 1.00 44.34 C ATOM 278 CG LEU A 20 0.681 -7.425 3.730 1.00 20.40 C ATOM 279 CD1 LEU A 20 1.908 -6.545 3.479 1.00 65.41 C ATOM 280 CD2 LEU A 20 -0.185 -7.506 2.472 1.00 0.03 C ATOM 0 H LEU A 20 -0.779 -8.432 5.762 1.00 71.23 H new ATOM 0 HA LEU A 20 -0.334 -10.174 3.525 1.00 1.52 H new ATOM 0 HB2 LEU A 20 1.745 -8.665 5.127 1.00 44.34 H new ATOM 0 HB3 LEU A 20 1.852 -9.208 3.464 1.00 44.34 H new ATOM 0 HG LEU A 20 0.046 -6.996 4.505 1.00 20.40 H new ATOM 0 HD11 LEU A 20 1.586 -5.562 3.136 1.00 65.41 H new ATOM 0 HD12 LEU A 20 2.475 -6.439 4.404 1.00 65.41 H new ATOM 0 HD13 LEU A 20 2.537 -7.007 2.718 1.00 65.41 H new ATOM 0 HD21 LEU A 20 -0.499 -6.503 2.181 1.00 0.03 H new ATOM 0 HD22 LEU A 20 0.390 -7.956 1.663 1.00 0.03 H new ATOM 0 HD23 LEU A 20 -1.065 -8.117 2.675 1.00 0.03 H new ATOM 291 N ALA A 21 1.466 -11.857 4.461 1.00 75.13 N ATOM 292 CA ALA A 21 2.175 -12.988 5.042 1.00 11.35 C ATOM 293 C ALA A 21 3.319 -12.529 5.935 1.00 72.13 C ATOM 294 O ALA A 21 4.009 -11.551 5.639 1.00 12.43 O ATOM 295 CB ALA A 21 2.776 -13.886 3.957 1.00 0.42 C ATOM 0 H ALA A 21 1.639 -11.722 3.465 1.00 75.13 H new ATOM 0 HA ALA A 21 1.438 -13.540 5.626 1.00 11.35 H new ATOM 0 HB1 ALA A 21 3.298 -14.721 4.424 1.00 0.42 H new ATOM 0 HB2 ALA A 21 1.980 -14.268 3.318 1.00 0.42 H new ATOM 0 HB3 ALA A 21 3.478 -13.309 3.355 1.00 0.42 H new ATOM 301 N ALA A 22 3.652 -13.379 6.908 1.00 0.34 N ATOM 302 CA ALA A 22 4.802 -13.225 7.790 1.00 4.24 C ATOM 303 C ALA A 22 6.137 -13.120 7.049 1.00 32.53 C ATOM 304 O ALA A 22 7.104 -12.606 7.623 1.00 24.55 O ATOM 305 CB ALA A 22 4.860 -14.434 8.721 1.00 33.34 C ATOM 0 H ALA A 22 3.109 -14.219 7.107 1.00 0.34 H new ATOM 0 HA ALA A 22 4.665 -12.289 8.332 1.00 4.24 H new ATOM 0 HB1 ALA A 22 5.715 -14.337 9.390 1.00 33.34 H new ATOM 0 HB2 ALA A 22 3.943 -14.485 9.309 1.00 33.34 H new ATOM 0 HB3 ALA A 22 4.963 -15.344 8.130 1.00 33.34 H new ATOM 311 N ARG A 23 6.211 -13.655 5.827 1.00 3.04 N ATOM 312 CA ARG A 23 7.430 -13.891 5.057 1.00 41.33 C ATOM 313 C ARG A 23 7.370 -13.188 3.698 1.00 13.44 C ATOM 314 O ARG A 23 8.117 -13.555 2.791 1.00 74.24 O ATOM 315 CB ARG A 23 7.651 -15.413 4.928 1.00 12.14 C ATOM 316 CG ARG A 23 7.997 -16.069 6.279 1.00 13.31 C ATOM 317 CD ARG A 23 9.398 -16.690 6.287 1.00 52.51 C ATOM 318 NE ARG A 23 9.418 -18.051 5.725 1.00 60.11 N ATOM 319 CZ ARG A 23 10.493 -18.841 5.628 1.00 11.21 C ATOM 320 NH1 ARG A 23 11.701 -18.383 5.946 1.00 0.22 N ATOM 321 NH2 ARG A 23 10.355 -20.097 5.213 1.00 14.32 N ATOM 0 H ARG A 23 5.375 -13.950 5.323 1.00 3.04 H new ATOM 0 HA ARG A 23 8.286 -13.462 5.578 1.00 41.33 H new ATOM 0 HB2 ARG A 23 6.752 -15.876 4.522 1.00 12.14 H new ATOM 0 HB3 ARG A 23 8.456 -15.602 4.218 1.00 12.14 H new ATOM 0 HG2 ARG A 23 7.929 -15.322 7.070 1.00 13.31 H new ATOM 0 HG3 ARG A 23 7.260 -16.840 6.505 1.00 13.31 H new ATOM 0 HD2 ARG A 23 10.076 -16.055 5.716 1.00 52.51 H new ATOM 0 HD3 ARG A 23 9.773 -16.718 7.310 1.00 52.51 H new ATOM 0 HE ARG A 23 8.534 -18.424 5.379 1.00 60.11 H new ATOM 0 HH11 ARG A 23 11.814 -17.421 6.267 1.00 0.22 H new ATOM 0 HH12 ARG A 23 12.515 -18.993 5.869 1.00 0.22 H new ATOM 0 HH21 ARG A 23 9.431 -20.455 4.970 1.00 14.32 H new ATOM 0 HH22 ARG A 23 11.173 -20.702 5.138 1.00 14.32 H new ATOM 332 N ILE A 24 6.500 -12.189 3.533 1.00 64.12 N ATOM 333 CA ILE A 24 6.456 -11.380 2.324 1.00 35.44 C ATOM 334 C ILE A 24 7.772 -10.598 2.167 1.00 11.51 C ATOM 335 O ILE A 24 8.450 -10.283 3.153 1.00 3.23 O ATOM 336 CB ILE A 24 5.179 -10.508 2.364 1.00 33.23 C ATOM 337 CG1 ILE A 24 4.907 -9.893 0.985 1.00 33.10 C ATOM 338 CG2 ILE A 24 5.209 -9.403 3.434 1.00 44.02 C ATOM 339 CD1 ILE A 24 3.427 -9.710 0.672 1.00 54.32 C ATOM 0 H ILE A 24 5.810 -11.923 4.235 1.00 64.12 H new ATOM 0 HA ILE A 24 6.385 -11.994 1.426 1.00 35.44 H new ATOM 0 HB ILE A 24 4.369 -11.182 2.642 1.00 33.23 H new ATOM 0 HG12 ILE A 24 5.403 -8.924 0.926 1.00 33.10 H new ATOM 0 HG13 ILE A 24 5.354 -10.528 0.220 1.00 33.10 H new ATOM 0 HG21 ILE A 24 4.279 -8.836 3.398 1.00 44.02 H new ATOM 0 HG22 ILE A 24 5.321 -9.854 4.420 1.00 44.02 H new ATOM 0 HG23 ILE A 24 6.049 -8.735 3.243 1.00 44.02 H new ATOM 0 HD11 ILE A 24 3.316 -9.270 -0.319 1.00 54.32 H new ATOM 0 HD12 ILE A 24 2.927 -10.678 0.697 1.00 54.32 H new ATOM 0 HD13 ILE A 24 2.977 -9.050 1.414 1.00 54.32 H new ATOM 350 N ARG A 25 8.165 -10.295 0.931 1.00 33.30 N ATOM 351 CA ARG A 25 9.268 -9.392 0.596 1.00 65.54 C ATOM 352 C ARG A 25 8.682 -7.988 0.434 1.00 22.20 C ATOM 353 O ARG A 25 7.503 -7.866 0.114 1.00 41.12 O ATOM 354 CB ARG A 25 9.907 -9.817 -0.747 1.00 75.32 C ATOM 355 CG ARG A 25 10.782 -11.084 -0.756 1.00 42.03 C ATOM 356 CD ARG A 25 10.184 -12.348 -0.119 1.00 74.31 C ATOM 357 NE ARG A 25 10.580 -12.478 1.301 1.00 51.45 N ATOM 358 CZ ARG A 25 11.042 -13.590 1.891 1.00 64.13 C ATOM 359 NH1 ARG A 25 10.941 -14.775 1.299 1.00 11.15 N ATOM 360 NH2 ARG A 25 11.638 -13.519 3.076 1.00 51.32 N ATOM 0 H ARG A 25 7.709 -10.684 0.106 1.00 33.30 H new ATOM 0 HA ARG A 25 10.027 -9.420 1.378 1.00 65.54 H new ATOM 0 HB2 ARG A 25 9.104 -9.959 -1.470 1.00 75.32 H new ATOM 0 HB3 ARG A 25 10.516 -8.987 -1.106 1.00 75.32 H new ATOM 0 HG2 ARG A 25 11.036 -11.313 -1.791 1.00 42.03 H new ATOM 0 HG3 ARG A 25 11.716 -10.855 -0.242 1.00 42.03 H new ATOM 0 HD2 ARG A 25 9.097 -12.315 -0.193 1.00 74.31 H new ATOM 0 HD3 ARG A 25 10.515 -13.227 -0.672 1.00 74.31 H new ATOM 0 HE ARG A 25 10.494 -11.646 1.884 1.00 51.45 H new ATOM 0 HH11 ARG A 25 10.506 -14.850 0.379 1.00 11.15 H new ATOM 0 HH12 ARG A 25 11.299 -15.610 1.764 1.00 11.15 H new ATOM 0 HH21 ARG A 25 11.745 -12.617 3.540 1.00 51.32 H new ATOM 0 HH22 ARG A 25 11.988 -14.367 3.522 1.00 51.32 H new ATOM 371 N PRO A 26 9.488 -6.916 0.507 1.00 40.35 N ATOM 372 CA PRO A 26 9.009 -5.584 0.154 1.00 31.43 C ATOM 373 C PRO A 26 8.505 -5.558 -1.296 1.00 65.32 C ATOM 374 O PRO A 26 7.438 -4.995 -1.552 1.00 22.20 O ATOM 375 CB PRO A 26 10.185 -4.635 0.410 1.00 20.11 C ATOM 376 CG PRO A 26 11.406 -5.547 0.354 1.00 73.34 C ATOM 377 CD PRO A 26 10.885 -6.872 0.902 1.00 20.41 C ATOM 0 HA PRO A 26 8.152 -5.275 0.752 1.00 31.43 H new ATOM 0 HB2 PRO A 26 10.237 -3.850 -0.344 1.00 20.11 H new ATOM 0 HB3 PRO A 26 10.098 -4.142 1.378 1.00 20.11 H new ATOM 0 HG2 PRO A 26 11.781 -5.653 -0.664 1.00 73.34 H new ATOM 0 HG3 PRO A 26 12.226 -5.158 0.957 1.00 73.34 H new ATOM 0 HD2 PRO A 26 11.439 -7.715 0.490 1.00 20.41 H new ATOM 0 HD3 PRO A 26 10.991 -6.920 1.986 1.00 20.41 H new ATOM 382 N ARG A 27 9.231 -6.205 -2.224 1.00 0.44 N ATOM 383 CA ARG A 27 8.901 -6.175 -3.645 1.00 3.21 C ATOM 384 C ARG A 27 7.539 -6.819 -3.923 1.00 71.13 C ATOM 385 O ARG A 27 6.907 -6.430 -4.891 1.00 11.04 O ATOM 386 CB ARG A 27 10.055 -6.682 -4.523 1.00 64.21 C ATOM 387 CG ARG A 27 9.850 -8.127 -4.909 1.00 12.11 C ATOM 388 CD ARG A 27 10.819 -8.653 -5.975 1.00 74.25 C ATOM 389 NE ARG A 27 11.375 -9.977 -5.638 1.00 24.55 N ATOM 390 CZ ARG A 27 12.250 -10.214 -4.655 1.00 63.31 C ATOM 391 NH1 ARG A 27 12.688 -9.201 -3.910 1.00 25.45 N ATOM 392 NH2 ARG A 27 12.659 -11.453 -4.402 1.00 1.54 N ATOM 0 H ARG A 27 10.058 -6.759 -2.004 1.00 0.44 H new ATOM 0 HA ARG A 27 8.782 -5.133 -3.943 1.00 3.21 H new ATOM 0 HB2 ARG A 27 10.129 -6.069 -5.421 1.00 64.21 H new ATOM 0 HB3 ARG A 27 10.998 -6.576 -3.987 1.00 64.21 H new ATOM 0 HG2 ARG A 27 9.946 -8.744 -4.015 1.00 12.11 H new ATOM 0 HG3 ARG A 27 8.830 -8.250 -5.273 1.00 12.11 H new ATOM 0 HD2 ARG A 27 10.301 -8.714 -6.932 1.00 74.25 H new ATOM 0 HD3 ARG A 27 11.636 -7.942 -6.100 1.00 74.25 H new ATOM 0 HE ARG A 27 11.069 -10.773 -6.198 1.00 24.55 H new ATOM 0 HH11 ARG A 27 12.356 -8.254 -4.091 1.00 25.45 H new ATOM 0 HH12 ARG A 27 13.355 -9.372 -3.158 1.00 25.45 H new ATOM 0 HH21 ARG A 27 12.305 -12.231 -4.959 1.00 1.54 H new ATOM 0 HH22 ARG A 27 13.327 -11.626 -3.651 1.00 1.54 H new ATOM 403 N ASP A 28 7.105 -7.813 -3.136 1.00 11.43 N ATOM 404 CA ASP A 28 5.922 -8.624 -3.468 1.00 55.15 C ATOM 405 C ASP A 28 4.700 -7.726 -3.670 1.00 11.13 C ATOM 406 O ASP A 28 3.799 -8.067 -4.437 1.00 12.01 O ATOM 407 CB ASP A 28 5.594 -9.613 -2.338 1.00 51.33 C ATOM 408 CG ASP A 28 6.269 -10.989 -2.398 1.00 23.23 C ATOM 409 OD1 ASP A 28 5.893 -11.835 -3.242 1.00 31.14 O ATOM 410 OD2 ASP A 28 7.085 -11.288 -1.499 1.00 52.42 O ATOM 0 H ASP A 28 7.557 -8.077 -2.261 1.00 11.43 H new ATOM 0 HA ASP A 28 6.152 -9.170 -4.383 1.00 55.15 H new ATOM 0 HB2 ASP A 28 5.862 -9.145 -1.391 1.00 51.33 H new ATOM 0 HB3 ASP A 28 4.515 -9.766 -2.324 1.00 51.33 H new ATOM 414 N LEU A 29 4.656 -6.594 -2.963 1.00 72.52 N ATOM 415 CA LEU A 29 3.595 -5.603 -3.011 1.00 11.21 C ATOM 416 C LEU A 29 3.799 -4.657 -4.192 1.00 4.25 C ATOM 417 O LEU A 29 2.826 -4.272 -4.830 1.00 51.42 O ATOM 418 CB LEU A 29 3.573 -4.759 -1.724 1.00 63.22 C ATOM 419 CG LEU A 29 3.301 -5.459 -0.380 1.00 1.13 C ATOM 420 CD1 LEU A 29 1.953 -6.178 -0.389 1.00 74.24 C ATOM 421 CD2 LEU A 29 4.400 -6.440 0.063 1.00 12.43 C ATOM 0 H LEU A 29 5.398 -6.338 -2.312 1.00 72.52 H new ATOM 0 HA LEU A 29 2.653 -6.141 -3.117 1.00 11.21 H new ATOM 0 HB2 LEU A 29 4.536 -4.255 -1.644 1.00 63.22 H new ATOM 0 HB3 LEU A 29 2.817 -3.984 -1.851 1.00 63.22 H new ATOM 0 HG LEU A 29 3.290 -4.650 0.351 1.00 1.13 H new ATOM 0 HD11 LEU A 29 1.792 -6.662 0.575 1.00 74.24 H new ATOM 0 HD12 LEU A 29 1.157 -5.456 -0.570 1.00 74.24 H new ATOM 0 HD13 LEU A 29 1.947 -6.930 -1.178 1.00 74.24 H new ATOM 0 HD21 LEU A 29 4.125 -6.887 1.019 1.00 12.43 H new ATOM 0 HD22 LEU A 29 4.511 -7.224 -0.686 1.00 12.43 H new ATOM 0 HD23 LEU A 29 5.344 -5.905 0.170 1.00 12.43 H new ATOM 432 N GLU A 30 5.039 -4.230 -4.452 1.00 22.15 N ATOM 433 CA GLU A 30 5.299 -3.232 -5.478 1.00 3.32 C ATOM 434 C GLU A 30 5.072 -3.859 -6.863 1.00 61.42 C ATOM 435 O GLU A 30 4.462 -3.223 -7.719 1.00 13.32 O ATOM 436 CB GLU A 30 6.679 -2.573 -5.268 1.00 54.24 C ATOM 437 CG GLU A 30 7.885 -3.110 -6.048 1.00 65.34 C ATOM 438 CD GLU A 30 9.142 -2.259 -5.797 1.00 51.45 C ATOM 439 OE1 GLU A 30 9.135 -1.032 -6.046 1.00 61.12 O ATOM 440 OE2 GLU A 30 10.190 -2.808 -5.377 1.00 4.23 O ATOM 0 H GLU A 30 5.871 -4.562 -3.965 1.00 22.15 H new ATOM 0 HA GLU A 30 4.594 -2.404 -5.404 1.00 3.32 H new ATOM 0 HB2 GLU A 30 6.578 -1.514 -5.506 1.00 54.24 H new ATOM 0 HB3 GLU A 30 6.917 -2.639 -4.206 1.00 54.24 H new ATOM 0 HG2 GLU A 30 8.079 -4.142 -5.756 1.00 65.34 H new ATOM 0 HG3 GLU A 30 7.656 -3.118 -7.114 1.00 65.34 H new ATOM 445 N GLU A 31 5.453 -5.132 -7.025 1.00 20.32 N ATOM 446 CA GLU A 31 5.168 -5.990 -8.173 1.00 43.42 C ATOM 447 C GLU A 31 3.664 -6.024 -8.427 1.00 35.14 C ATOM 448 O GLU A 31 3.185 -5.683 -9.508 1.00 12.52 O ATOM 449 CB GLU A 31 5.655 -7.421 -7.867 1.00 14.41 C ATOM 450 CG GLU A 31 7.176 -7.608 -7.866 1.00 34.24 C ATOM 451 CD GLU A 31 7.713 -7.871 -9.271 1.00 1.52 C ATOM 452 OE1 GLU A 31 7.513 -7.012 -10.163 1.00 1.11 O ATOM 453 OE2 GLU A 31 8.359 -8.925 -9.465 1.00 41.02 O ATOM 0 H GLU A 31 6.001 -5.616 -6.314 1.00 20.32 H new ATOM 0 HA GLU A 31 5.679 -5.599 -9.053 1.00 43.42 H new ATOM 0 HB2 GLU A 31 5.268 -7.718 -6.892 1.00 14.41 H new ATOM 0 HB3 GLU A 31 5.222 -8.100 -8.602 1.00 14.41 H new ATOM 0 HG2 GLU A 31 7.652 -6.718 -7.455 1.00 34.24 H new ATOM 0 HG3 GLU A 31 7.440 -8.440 -7.214 1.00 34.24 H new ATOM 458 N PHE A 32 2.919 -6.399 -7.385 1.00 45.33 N ATOM 459 CA PHE A 32 1.487 -6.631 -7.430 1.00 12.43 C ATOM 460 C PHE A 32 0.718 -5.427 -7.969 1.00 2.04 C ATOM 461 O PHE A 32 -0.350 -5.586 -8.567 1.00 64.13 O ATOM 462 CB PHE A 32 1.026 -6.971 -6.014 1.00 0.30 C ATOM 463 CG PHE A 32 -0.442 -7.268 -5.965 1.00 54.15 C ATOM 464 CD1 PHE A 32 -0.922 -8.383 -6.669 1.00 73.23 C ATOM 465 CD2 PHE A 32 -1.325 -6.379 -5.329 1.00 14.13 C ATOM 466 CE1 PHE A 32 -2.297 -8.598 -6.766 1.00 14.44 C ATOM 467 CE2 PHE A 32 -2.703 -6.619 -5.398 1.00 32.54 C ATOM 468 CZ PHE A 32 -3.187 -7.714 -6.134 1.00 62.24 C ATOM 0 H PHE A 32 3.317 -6.553 -6.458 1.00 45.33 H new ATOM 0 HA PHE A 32 1.282 -7.453 -8.115 1.00 12.43 H new ATOM 0 HB2 PHE A 32 1.584 -7.832 -5.647 1.00 0.30 H new ATOM 0 HB3 PHE A 32 1.251 -6.138 -5.348 1.00 0.30 H new ATOM 0 HD1 PHE A 32 -0.231 -9.071 -7.133 1.00 73.23 H new ATOM 0 HD2 PHE A 32 -0.946 -5.521 -4.794 1.00 14.13 H new ATOM 0 HE1 PHE A 32 -2.676 -9.441 -7.325 1.00 14.44 H new ATOM 0 HE2 PHE A 32 -3.393 -5.964 -4.887 1.00 32.54 H new ATOM 0 HZ PHE A 32 -4.252 -7.877 -6.214 1.00 62.24 H new ATOM 477 N PHE A 33 1.251 -4.228 -7.748 1.00 1.02 N ATOM 478 CA PHE A 33 0.693 -3.001 -8.273 1.00 3.23 C ATOM 479 C PHE A 33 1.299 -2.590 -9.617 1.00 15.00 C ATOM 480 O PHE A 33 0.576 -2.042 -10.447 1.00 63.34 O ATOM 481 CB PHE A 33 0.925 -1.888 -7.262 1.00 51.41 C ATOM 482 CG PHE A 33 0.189 -2.021 -5.939 1.00 33.22 C ATOM 483 CD1 PHE A 33 -1.194 -2.297 -5.904 1.00 54.45 C ATOM 484 CD2 PHE A 33 0.886 -1.836 -4.729 1.00 11.14 C ATOM 485 CE1 PHE A 33 -1.866 -2.393 -4.674 1.00 3.53 C ATOM 486 CE2 PHE A 33 0.215 -1.934 -3.500 1.00 41.31 C ATOM 487 CZ PHE A 33 -1.162 -2.200 -3.474 1.00 42.21 C ATOM 0 H PHE A 33 2.094 -4.088 -7.191 1.00 1.02 H new ATOM 0 HA PHE A 33 -0.370 -3.174 -8.443 1.00 3.23 H new ATOM 0 HB2 PHE A 33 1.994 -1.830 -7.055 1.00 51.41 H new ATOM 0 HB3 PHE A 33 0.637 -0.942 -7.721 1.00 51.41 H new ATOM 0 HD1 PHE A 33 -1.738 -2.435 -6.826 1.00 54.45 H new ATOM 0 HD2 PHE A 33 1.943 -1.617 -4.747 1.00 11.14 H new ATOM 0 HE1 PHE A 33 -2.923 -2.615 -4.651 1.00 3.53 H new ATOM 0 HE2 PHE A 33 0.758 -1.805 -2.576 1.00 41.31 H new ATOM 0 HZ PHE A 33 -1.682 -2.257 -2.529 1.00 42.21 H new ATOM 496 N SER A 34 2.595 -2.826 -9.842 1.00 34.32 N ATOM 497 CA SER A 34 3.326 -2.384 -11.027 1.00 2.22 C ATOM 498 C SER A 34 2.684 -2.910 -12.318 1.00 62.14 C ATOM 499 O SER A 34 2.820 -2.280 -13.366 1.00 35.31 O ATOM 500 CB SER A 34 4.803 -2.799 -10.888 1.00 40.45 C ATOM 501 OG SER A 34 5.587 -2.344 -11.977 1.00 23.10 O ATOM 0 H SER A 34 3.178 -3.344 -9.185 1.00 34.32 H new ATOM 0 HA SER A 34 3.278 -1.297 -11.099 1.00 2.22 H new ATOM 0 HB2 SER A 34 5.206 -2.398 -9.958 1.00 40.45 H new ATOM 0 HB3 SER A 34 4.870 -3.885 -10.822 1.00 40.45 H new ATOM 0 HG SER A 34 6.517 -2.626 -11.851 1.00 23.10 H new ATOM 506 N THR A 35 1.921 -4.002 -12.255 1.00 11.14 N ATOM 507 CA THR A 35 1.206 -4.563 -13.405 1.00 61.43 C ATOM 508 C THR A 35 0.189 -3.577 -14.013 1.00 64.23 C ATOM 509 O THR A 35 -0.171 -3.706 -15.186 1.00 34.31 O ATOM 510 CB THR A 35 0.599 -5.924 -13.005 1.00 52.14 C ATOM 511 OG1 THR A 35 -0.068 -6.556 -14.077 1.00 34.22 O ATOM 512 CG2 THR A 35 -0.391 -5.836 -11.848 1.00 3.44 C ATOM 0 H THR A 35 1.780 -4.529 -11.393 1.00 11.14 H new ATOM 0 HA THR A 35 1.912 -4.738 -14.216 1.00 61.43 H new ATOM 0 HB THR A 35 1.465 -6.509 -12.696 1.00 52.14 H new ATOM 0 HG1 THR A 35 -0.433 -7.414 -13.775 1.00 34.22 H new ATOM 0 HG21 THR A 35 -0.776 -6.830 -11.623 1.00 3.44 H new ATOM 0 HG22 THR A 35 0.112 -5.434 -10.969 1.00 3.44 H new ATOM 0 HG23 THR A 35 -1.217 -5.181 -12.125 1.00 3.44 H new ATOM 520 N VAL A 36 -0.255 -2.572 -13.254 1.00 63.33 N ATOM 521 CA VAL A 36 -1.247 -1.578 -13.667 1.00 51.03 C ATOM 522 C VAL A 36 -0.835 -0.163 -13.231 1.00 21.21 C ATOM 523 O VAL A 36 -1.614 0.782 -13.377 1.00 5.43 O ATOM 524 CB VAL A 36 -2.636 -1.972 -13.109 1.00 45.05 C ATOM 525 CG1 VAL A 36 -3.199 -3.215 -13.810 1.00 64.13 C ATOM 526 CG2 VAL A 36 -2.627 -2.211 -11.586 1.00 21.11 C ATOM 0 H VAL A 36 0.079 -2.423 -12.302 1.00 63.33 H new ATOM 0 HA VAL A 36 -1.304 -1.563 -14.755 1.00 51.03 H new ATOM 0 HB VAL A 36 -3.281 -1.117 -13.314 1.00 45.05 H new ATOM 0 HG11 VAL A 36 -4.175 -3.459 -13.390 1.00 64.13 H new ATOM 0 HG12 VAL A 36 -3.303 -3.016 -14.877 1.00 64.13 H new ATOM 0 HG13 VAL A 36 -2.520 -4.055 -13.662 1.00 64.13 H new ATOM 0 HG21 VAL A 36 -3.629 -2.484 -11.255 1.00 21.11 H new ATOM 0 HG22 VAL A 36 -1.934 -3.018 -11.348 1.00 21.11 H new ATOM 0 HG23 VAL A 36 -2.312 -1.300 -11.077 1.00 21.11 H new ATOM 536 N GLY A 37 0.368 0.015 -12.678 1.00 61.34 N ATOM 537 CA GLY A 37 0.694 1.171 -11.862 1.00 12.10 C ATOM 538 C GLY A 37 2.171 1.526 -11.894 1.00 25.53 C ATOM 539 O GLY A 37 2.971 0.927 -12.614 1.00 14.14 O ATOM 0 H GLY A 37 1.139 -0.643 -12.788 1.00 61.34 H new ATOM 0 HA2 GLY A 37 0.113 2.027 -12.206 1.00 12.10 H new ATOM 0 HA3 GLY A 37 0.395 0.977 -10.832 1.00 12.10 H new ATOM 543 N LYS A 38 2.531 2.514 -11.075 1.00 12.13 N ATOM 544 CA LYS A 38 3.900 2.920 -10.818 1.00 11.11 C ATOM 545 C LYS A 38 4.060 3.244 -9.342 1.00 11.22 C ATOM 546 O LYS A 38 3.217 3.916 -8.739 1.00 21.45 O ATOM 547 CB LYS A 38 4.302 4.097 -11.709 1.00 43.11 C ATOM 548 CG LYS A 38 3.271 5.236 -11.717 1.00 54.23 C ATOM 549 CD LYS A 38 3.805 6.472 -12.437 1.00 11.21 C ATOM 550 CE LYS A 38 3.856 6.210 -13.947 1.00 42.23 C ATOM 551 NZ LYS A 38 4.979 6.930 -14.571 1.00 72.44 N ATOM 0 H LYS A 38 1.849 3.069 -10.558 1.00 12.13 H new ATOM 0 HA LYS A 38 4.573 2.099 -11.066 1.00 11.11 H new ATOM 0 HB2 LYS A 38 5.262 4.488 -11.371 1.00 43.11 H new ATOM 0 HB3 LYS A 38 4.445 3.739 -12.729 1.00 43.11 H new ATOM 0 HG2 LYS A 38 2.357 4.897 -12.204 1.00 54.23 H new ATOM 0 HG3 LYS A 38 3.008 5.497 -10.692 1.00 54.23 H new ATOM 0 HD2 LYS A 38 3.166 7.330 -12.229 1.00 11.21 H new ATOM 0 HD3 LYS A 38 4.800 6.718 -12.067 1.00 11.21 H new ATOM 0 HE2 LYS A 38 3.958 5.140 -14.131 1.00 42.23 H new ATOM 0 HE3 LYS A 38 2.918 6.524 -14.406 1.00 42.23 H new ATOM 0 HZ1 LYS A 38 4.991 6.736 -15.593 1.00 72.44 H new ATOM 0 HZ2 LYS A 38 4.866 7.952 -14.414 1.00 72.44 H new ATOM 0 HZ3 LYS A 38 5.874 6.611 -14.148 1.00 72.44 H new ATOM 561 N VAL A 39 5.173 2.807 -8.780 1.00 52.34 N ATOM 562 CA VAL A 39 5.515 2.931 -7.380 1.00 22.52 C ATOM 563 C VAL A 39 6.538 4.053 -7.254 1.00 61.41 C ATOM 564 O VAL A 39 7.432 4.221 -8.085 1.00 31.15 O ATOM 565 CB VAL A 39 6.002 1.569 -6.849 1.00 53.04 C ATOM 566 CG1 VAL A 39 6.347 1.639 -5.356 1.00 2.52 C ATOM 567 CG2 VAL A 39 4.898 0.519 -7.056 1.00 13.00 C ATOM 0 H VAL A 39 5.898 2.332 -9.318 1.00 52.34 H new ATOM 0 HA VAL A 39 4.657 3.197 -6.763 1.00 22.52 H new ATOM 0 HB VAL A 39 6.902 1.295 -7.399 1.00 53.04 H new ATOM 0 HG11 VAL A 39 6.687 0.661 -5.015 1.00 2.52 H new ATOM 0 HG12 VAL A 39 7.138 2.373 -5.199 1.00 2.52 H new ATOM 0 HG13 VAL A 39 5.462 1.933 -4.791 1.00 2.52 H new ATOM 0 HG21 VAL A 39 5.239 -0.446 -6.681 1.00 13.00 H new ATOM 0 HG22 VAL A 39 4.002 0.822 -6.515 1.00 13.00 H new ATOM 0 HG23 VAL A 39 4.670 0.436 -8.119 1.00 13.00 H new ATOM 577 N ARG A 40 6.363 4.865 -6.218 1.00 24.21 N ATOM 578 CA ARG A 40 7.280 5.900 -5.787 1.00 4.02 C ATOM 579 C ARG A 40 8.314 5.264 -4.869 1.00 22.51 C ATOM 580 O ARG A 40 9.497 5.346 -5.181 1.00 23.23 O ATOM 581 CB ARG A 40 6.476 7.010 -5.118 1.00 42.02 C ATOM 582 CG ARG A 40 7.339 8.053 -4.405 1.00 21.22 C ATOM 583 CD ARG A 40 6.417 9.230 -4.105 1.00 14.50 C ATOM 584 NE ARG A 40 6.939 10.078 -3.031 1.00 33.50 N ATOM 585 CZ ARG A 40 7.165 11.392 -3.077 1.00 12.20 C ATOM 586 NH1 ARG A 40 6.984 12.072 -4.207 1.00 0.20 N ATOM 587 NH2 ARG A 40 7.576 12.015 -1.977 1.00 1.04 N ATOM 0 H ARG A 40 5.532 4.812 -5.629 1.00 24.21 H new ATOM 0 HA ARG A 40 7.818 6.353 -6.620 1.00 4.02 H new ATOM 0 HB2 ARG A 40 5.867 7.509 -5.871 1.00 42.02 H new ATOM 0 HB3 ARG A 40 5.790 6.565 -4.397 1.00 42.02 H new ATOM 0 HG2 ARG A 40 7.763 7.646 -3.487 1.00 21.22 H new ATOM 0 HG3 ARG A 40 8.175 8.362 -5.033 1.00 21.22 H new ATOM 0 HD2 ARG A 40 6.287 9.827 -5.007 1.00 14.50 H new ATOM 0 HD3 ARG A 40 5.432 8.856 -3.825 1.00 14.50 H new ATOM 0 HE ARG A 40 7.154 9.612 -2.149 1.00 33.50 H new ATOM 0 HH11 ARG A 40 6.670 11.589 -5.048 1.00 0.20 H new ATOM 0 HH12 ARG A 40 7.160 13.076 -4.231 1.00 0.20 H new ATOM 0 HH21 ARG A 40 7.714 11.489 -1.114 1.00 1.04 H new ATOM 0 HH22 ARG A 40 7.753 13.019 -1.996 1.00 1.04 H new ATOM 598 N ASP A 41 7.896 4.627 -3.773 1.00 42.23 N ATOM 599 CA ASP A 41 8.806 3.939 -2.855 1.00 63.41 C ATOM 600 C ASP A 41 8.030 2.891 -2.046 1.00 51.14 C ATOM 601 O ASP A 41 6.808 2.780 -2.171 1.00 40.54 O ATOM 602 CB ASP A 41 9.520 4.954 -1.937 1.00 4.40 C ATOM 603 CG ASP A 41 10.881 4.462 -1.424 1.00 40.32 C ATOM 604 OD1 ASP A 41 11.204 3.256 -1.559 1.00 54.42 O ATOM 605 OD2 ASP A 41 11.614 5.317 -0.873 1.00 63.33 O ATOM 0 H ASP A 41 6.916 4.574 -3.497 1.00 42.23 H new ATOM 0 HA ASP A 41 9.576 3.424 -3.429 1.00 63.41 H new ATOM 0 HB2 ASP A 41 9.661 5.888 -2.481 1.00 4.40 H new ATOM 0 HB3 ASP A 41 8.878 5.176 -1.085 1.00 4.40 H new ATOM 609 N VAL A 42 8.721 2.111 -1.219 1.00 32.20 N ATOM 610 CA VAL A 42 8.212 0.942 -0.516 1.00 1.32 C ATOM 611 C VAL A 42 8.600 1.089 0.956 1.00 71.31 C ATOM 612 O VAL A 42 9.786 1.084 1.307 1.00 32.14 O ATOM 613 CB VAL A 42 8.763 -0.334 -1.189 1.00 43.21 C ATOM 614 CG1 VAL A 42 8.248 -1.610 -0.527 1.00 54.04 C ATOM 615 CG2 VAL A 42 8.339 -0.430 -2.663 1.00 23.44 C ATOM 0 H VAL A 42 9.704 2.289 -1.012 1.00 32.20 H new ATOM 0 HA VAL A 42 7.126 0.860 -0.566 1.00 1.32 H new ATOM 0 HB VAL A 42 9.845 -0.254 -1.089 1.00 43.21 H new ATOM 0 HG11 VAL A 42 8.665 -2.478 -1.037 1.00 54.04 H new ATOM 0 HG12 VAL A 42 8.551 -1.624 0.520 1.00 54.04 H new ATOM 0 HG13 VAL A 42 7.160 -1.639 -0.590 1.00 54.04 H new ATOM 0 HG21 VAL A 42 8.747 -1.341 -3.100 1.00 23.44 H new ATOM 0 HG22 VAL A 42 7.251 -0.452 -2.728 1.00 23.44 H new ATOM 0 HG23 VAL A 42 8.718 0.435 -3.208 1.00 23.44 H new ATOM 625 N ARG A 43 7.602 1.256 1.826 1.00 14.53 N ATOM 626 CA ARG A 43 7.749 1.562 3.243 1.00 44.52 C ATOM 627 C ARG A 43 7.210 0.377 4.058 1.00 12.24 C ATOM 628 O ARG A 43 6.351 0.527 4.934 1.00 4.44 O ATOM 629 CB ARG A 43 7.045 2.910 3.499 1.00 55.44 C ATOM 630 CG ARG A 43 7.358 3.496 4.877 1.00 51.03 C ATOM 631 CD ARG A 43 6.265 4.467 5.341 1.00 15.11 C ATOM 632 NE ARG A 43 6.206 4.573 6.805 1.00 31.43 N ATOM 633 CZ ARG A 43 7.204 4.853 7.649 1.00 44.31 C ATOM 634 NH1 ARG A 43 8.361 5.326 7.199 1.00 51.44 N ATOM 635 NH2 ARG A 43 7.014 4.627 8.942 1.00 21.12 N ATOM 0 H ARG A 43 6.625 1.177 1.544 1.00 14.53 H new ATOM 0 HA ARG A 43 8.785 1.685 3.558 1.00 44.52 H new ATOM 0 HB2 ARG A 43 7.346 3.622 2.731 1.00 55.44 H new ATOM 0 HB3 ARG A 43 5.968 2.775 3.404 1.00 55.44 H new ATOM 0 HG2 ARG A 43 7.459 2.688 5.602 1.00 51.03 H new ATOM 0 HG3 ARG A 43 8.316 4.015 4.843 1.00 51.03 H new ATOM 0 HD2 ARG A 43 6.451 5.452 4.914 1.00 15.11 H new ATOM 0 HD3 ARG A 43 5.299 4.133 4.963 1.00 15.11 H new ATOM 0 HE ARG A 43 5.292 4.414 7.229 1.00 31.43 H new ATOM 0 HH11 ARG A 43 8.495 5.479 6.200 1.00 51.44 H new ATOM 0 HH12 ARG A 43 9.115 5.536 7.853 1.00 51.44 H new ATOM 0 HH21 ARG A 43 6.125 4.249 9.268 1.00 21.12 H new ATOM 0 HH22 ARG A 43 7.757 4.831 9.610 1.00 21.12 H new ATOM 646 N MET A 44 7.681 -0.835 3.756 1.00 42.41 N ATOM 647 CA MET A 44 7.277 -2.059 4.397 1.00 51.11 C ATOM 648 C MET A 44 7.753 -2.009 5.845 1.00 22.31 C ATOM 649 O MET A 44 8.944 -1.793 6.077 1.00 73.14 O ATOM 650 CB MET A 44 7.905 -3.223 3.608 1.00 71.14 C ATOM 651 CG MET A 44 7.755 -4.495 4.424 1.00 55.54 C ATOM 652 SD MET A 44 8.188 -6.077 3.658 1.00 41.02 S ATOM 653 CE MET A 44 7.582 -7.156 4.983 1.00 33.42 C ATOM 0 H MET A 44 8.381 -0.981 3.028 1.00 42.41 H new ATOM 0 HA MET A 44 6.196 -2.197 4.406 1.00 51.11 H new ATOM 0 HB2 MET A 44 7.414 -3.333 2.641 1.00 71.14 H new ATOM 0 HB3 MET A 44 8.958 -3.022 3.410 1.00 71.14 H new ATOM 0 HG2 MET A 44 8.363 -4.385 5.322 1.00 55.54 H new ATOM 0 HG3 MET A 44 6.716 -4.559 4.749 1.00 55.54 H new ATOM 0 HE1 MET A 44 7.786 -8.196 4.727 1.00 33.42 H new ATOM 0 HE2 MET A 44 8.088 -6.906 5.916 1.00 33.42 H new ATOM 0 HE3 MET A 44 6.508 -7.016 5.104 1.00 33.42 H new ATOM 661 N ILE A 45 6.870 -2.267 6.816 1.00 14.11 N ATOM 662 CA ILE A 45 7.297 -2.438 8.195 1.00 1.52 C ATOM 663 C ILE A 45 8.146 -3.716 8.216 1.00 11.44 C ATOM 664 O ILE A 45 7.736 -4.751 7.686 1.00 12.21 O ATOM 665 CB ILE A 45 6.107 -2.479 9.188 1.00 40.01 C ATOM 666 CG1 ILE A 45 5.069 -1.342 9.042 1.00 62.21 C ATOM 667 CG2 ILE A 45 6.683 -2.363 10.606 1.00 32.12 C ATOM 668 CD1 ILE A 45 4.133 -1.538 7.851 1.00 13.44 C ATOM 0 H ILE A 45 5.865 -2.360 6.667 1.00 14.11 H new ATOM 0 HA ILE A 45 7.882 -1.583 8.534 1.00 1.52 H new ATOM 0 HB ILE A 45 5.582 -3.411 8.978 1.00 40.01 H new ATOM 0 HG12 ILE A 45 4.477 -1.278 9.955 1.00 62.21 H new ATOM 0 HG13 ILE A 45 5.592 -0.392 8.934 1.00 62.21 H new ATOM 0 HG21 ILE A 45 5.870 -2.389 11.332 1.00 32.12 H new ATOM 0 HG22 ILE A 45 7.362 -3.195 10.792 1.00 32.12 H new ATOM 0 HG23 ILE A 45 7.226 -1.423 10.702 1.00 32.12 H new ATOM 0 HD11 ILE A 45 3.428 -0.708 7.802 1.00 13.44 H new ATOM 0 HD12 ILE A 45 4.717 -1.573 6.931 1.00 13.44 H new ATOM 0 HD13 ILE A 45 3.585 -2.473 7.969 1.00 13.44 H new ATOM 679 N SER A 46 9.363 -3.631 8.752 1.00 1.42 N ATOM 680 CA SER A 46 10.369 -4.685 8.728 1.00 43.03 C ATOM 681 C SER A 46 9.991 -5.837 9.668 1.00 20.11 C ATOM 682 O SER A 46 10.564 -6.000 10.748 1.00 43.04 O ATOM 683 CB SER A 46 11.699 -4.067 9.140 1.00 44.11 C ATOM 684 OG SER A 46 11.990 -2.896 8.407 1.00 43.33 O ATOM 0 H SER A 46 9.685 -2.791 9.233 1.00 1.42 H new ATOM 0 HA SER A 46 10.440 -5.106 7.725 1.00 43.03 H new ATOM 0 HB2 SER A 46 11.675 -3.832 10.204 1.00 44.11 H new ATOM 0 HB3 SER A 46 12.497 -4.794 8.993 1.00 44.11 H new ATOM 0 HG SER A 46 12.850 -2.530 8.703 1.00 43.33 H new ATOM 689 N ASP A 47 9.006 -6.625 9.259 1.00 60.11 N ATOM 690 CA ASP A 47 8.181 -7.500 10.091 1.00 0.00 C ATOM 691 C ASP A 47 8.900 -8.814 10.446 1.00 53.43 C ATOM 692 O ASP A 47 8.527 -9.906 10.014 1.00 51.03 O ATOM 693 CB ASP A 47 6.794 -7.688 9.408 1.00 24.15 C ATOM 694 CG ASP A 47 5.708 -6.739 9.943 1.00 33.25 C ATOM 695 OD1 ASP A 47 6.032 -5.848 10.763 1.00 32.22 O ATOM 696 OD2 ASP A 47 4.500 -7.028 9.795 1.00 42.12 O ATOM 0 H ASP A 47 8.743 -6.676 8.275 1.00 60.11 H new ATOM 0 HA ASP A 47 8.006 -7.031 11.059 1.00 0.00 H new ATOM 0 HB2 ASP A 47 6.903 -7.533 8.335 1.00 24.15 H new ATOM 0 HB3 ASP A 47 6.466 -8.718 9.549 1.00 24.15 H new ATOM 700 N ARG A 48 9.947 -8.738 11.278 1.00 44.42 N ATOM 701 CA ARG A 48 10.776 -9.889 11.666 1.00 33.13 C ATOM 702 C ARG A 48 10.713 -10.217 13.145 1.00 12.44 C ATOM 703 O ARG A 48 11.053 -11.339 13.511 1.00 52.02 O ATOM 704 CB ARG A 48 12.245 -9.657 11.310 1.00 20.24 C ATOM 705 CG ARG A 48 12.435 -9.455 9.801 1.00 34.20 C ATOM 706 CD ARG A 48 13.912 -9.508 9.372 1.00 14.02 C ATOM 707 NE ARG A 48 14.304 -8.396 8.485 1.00 60.41 N ATOM 708 CZ ARG A 48 13.686 -7.948 7.384 1.00 11.55 C ATOM 709 NH1 ARG A 48 12.612 -8.559 6.891 1.00 3.01 N ATOM 710 NH2 ARG A 48 14.135 -6.859 6.779 1.00 61.23 N ATOM 0 H ARG A 48 10.247 -7.863 11.707 1.00 44.42 H new ATOM 0 HA ARG A 48 10.361 -10.728 11.107 1.00 33.13 H new ATOM 0 HB2 ARG A 48 12.616 -8.782 11.844 1.00 20.24 H new ATOM 0 HB3 ARG A 48 12.839 -10.509 11.641 1.00 20.24 H new ATOM 0 HG2 ARG A 48 11.878 -10.222 9.264 1.00 34.20 H new ATOM 0 HG3 ARG A 48 12.012 -8.493 9.512 1.00 34.20 H new ATOM 0 HD2 ARG A 48 14.542 -9.493 10.261 1.00 14.02 H new ATOM 0 HD3 ARG A 48 14.101 -10.453 8.863 1.00 14.02 H new ATOM 0 HE ARG A 48 15.159 -7.903 8.744 1.00 60.41 H new ATOM 0 HH11 ARG A 48 12.240 -9.389 7.353 1.00 3.01 H new ATOM 0 HH12 ARG A 48 12.160 -8.197 6.051 1.00 3.01 H new ATOM 0 HH21 ARG A 48 14.947 -6.367 7.152 1.00 61.23 H new ATOM 0 HH22 ARG A 48 13.669 -6.513 5.940 1.00 61.23 H new ATOM 721 N ASN A 49 10.292 -9.277 13.988 1.00 0.33 N ATOM 722 CA ASN A 49 10.192 -9.381 15.448 1.00 54.41 C ATOM 723 C ASN A 49 9.517 -10.653 15.953 1.00 51.11 C ATOM 724 O ASN A 49 9.833 -11.071 17.064 1.00 20.12 O ATOM 725 CB ASN A 49 9.427 -8.181 16.013 1.00 41.12 C ATOM 726 CG ASN A 49 8.090 -8.085 15.312 1.00 44.23 C ATOM 727 OD1 ASN A 49 7.171 -8.854 15.570 1.00 75.14 O ATOM 728 ND2 ASN A 49 8.017 -7.244 14.305 1.00 73.12 N ATOM 0 H ASN A 49 9.992 -8.362 13.651 1.00 0.33 H new ATOM 0 HA ASN A 49 11.224 -9.406 15.797 1.00 54.41 H new ATOM 0 HB2 ASN A 49 9.283 -8.296 17.087 1.00 41.12 H new ATOM 0 HB3 ASN A 49 9.998 -7.265 15.865 1.00 41.12 H new ATOM 0 HD21 ASN A 49 7.183 -7.222 13.719 1.00 73.12 H new ATOM 0 HD22 ASN A 49 8.795 -6.613 14.110 1.00 73.12 H new ATOM 734 N SER A 50 8.655 -11.297 15.152 1.00 22.23 N ATOM 735 CA SER A 50 8.094 -12.606 15.473 1.00 52.34 C ATOM 736 C SER A 50 7.128 -12.547 16.684 1.00 21.41 C ATOM 737 O SER A 50 6.920 -13.551 17.370 1.00 33.24 O ATOM 738 CB SER A 50 9.277 -13.586 15.624 1.00 53.11 C ATOM 739 OG SER A 50 9.176 -14.714 14.783 1.00 42.43 O ATOM 0 H SER A 50 8.330 -10.919 14.262 1.00 22.23 H new ATOM 0 HA SER A 50 7.452 -12.971 14.671 1.00 52.34 H new ATOM 0 HB2 SER A 50 10.206 -13.060 15.405 1.00 53.11 H new ATOM 0 HB3 SER A 50 9.335 -13.918 16.661 1.00 53.11 H new ATOM 0 HG SER A 50 9.952 -15.296 14.921 1.00 42.43 H new ATOM 744 N ARG A 51 6.561 -11.361 16.974 1.00 22.34 N ATOM 745 CA ARG A 51 5.640 -11.143 18.097 1.00 51.44 C ATOM 746 C ARG A 51 4.585 -10.039 17.846 1.00 60.13 C ATOM 747 O ARG A 51 3.722 -9.826 18.697 1.00 60.23 O ATOM 748 CB ARG A 51 6.506 -10.882 19.349 1.00 2.02 C ATOM 749 CG ARG A 51 5.743 -11.030 20.673 1.00 72.34 C ATOM 750 CD ARG A 51 6.683 -10.993 21.882 1.00 40.44 C ATOM 751 NE ARG A 51 7.261 -12.309 22.185 1.00 12.30 N ATOM 752 CZ ARG A 51 7.701 -12.699 23.384 1.00 1.13 C ATOM 753 NH1 ARG A 51 7.837 -11.830 24.383 1.00 0.54 N ATOM 754 NH2 ARG A 51 8.002 -13.973 23.580 1.00 51.03 N ATOM 0 H ARG A 51 6.734 -10.519 16.426 1.00 22.34 H new ATOM 0 HA ARG A 51 5.026 -12.033 18.238 1.00 51.44 H new ATOM 0 HB2 ARG A 51 7.349 -11.574 19.347 1.00 2.02 H new ATOM 0 HB3 ARG A 51 6.920 -9.875 19.290 1.00 2.02 H new ATOM 0 HG2 ARG A 51 5.008 -10.229 20.760 1.00 72.34 H new ATOM 0 HG3 ARG A 51 5.191 -11.970 20.671 1.00 72.34 H new ATOM 0 HD2 ARG A 51 7.487 -10.282 21.692 1.00 40.44 H new ATOM 0 HD3 ARG A 51 6.136 -10.631 22.753 1.00 40.44 H new ATOM 0 HE ARG A 51 7.332 -12.978 21.419 1.00 12.30 H new ATOM 0 HH11 ARG A 51 7.604 -10.847 24.240 1.00 0.54 H new ATOM 0 HH12 ARG A 51 8.175 -12.147 25.292 1.00 0.54 H new ATOM 0 HH21 ARG A 51 7.897 -14.645 22.820 1.00 51.03 H new ATOM 0 HH22 ARG A 51 8.339 -14.283 24.491 1.00 51.03 H new ATOM 765 N ARG A 52 4.640 -9.306 16.727 1.00 73.21 N ATOM 766 CA ARG A 52 3.673 -8.274 16.316 1.00 1.24 C ATOM 767 C ARG A 52 2.704 -8.872 15.278 1.00 74.54 C ATOM 768 O ARG A 52 2.563 -10.092 15.211 1.00 3.53 O ATOM 769 CB ARG A 52 4.397 -7.017 15.801 1.00 40.31 C ATOM 770 CG ARG A 52 5.416 -6.368 16.755 1.00 21.10 C ATOM 771 CD ARG A 52 6.064 -5.189 16.023 1.00 74.22 C ATOM 772 NE ARG A 52 7.334 -4.759 16.631 1.00 11.42 N ATOM 773 CZ ARG A 52 8.355 -4.198 15.965 1.00 4.50 C ATOM 774 NH1 ARG A 52 8.262 -3.930 14.663 1.00 5.22 N ATOM 775 NH2 ARG A 52 9.483 -3.908 16.603 1.00 2.43 N ATOM 0 H ARG A 52 5.394 -9.420 16.050 1.00 73.21 H new ATOM 0 HA ARG A 52 3.086 -7.953 17.176 1.00 1.24 H new ATOM 0 HB2 ARG A 52 4.913 -7.276 14.877 1.00 40.31 H new ATOM 0 HB3 ARG A 52 3.644 -6.270 15.547 1.00 40.31 H new ATOM 0 HG2 ARG A 52 4.923 -6.027 17.665 1.00 21.10 H new ATOM 0 HG3 ARG A 52 6.173 -7.093 17.055 1.00 21.10 H new ATOM 0 HD2 ARG A 52 6.241 -5.467 14.984 1.00 74.22 H new ATOM 0 HD3 ARG A 52 5.370 -4.349 16.014 1.00 74.22 H new ATOM 0 HE ARG A 52 7.446 -4.898 17.635 1.00 11.42 H new ATOM 0 HH11 ARG A 52 7.405 -4.152 14.157 1.00 5.22 H new ATOM 0 HH12 ARG A 52 9.048 -3.503 14.173 1.00 5.22 H new ATOM 0 HH21 ARG A 52 9.573 -4.112 17.598 1.00 2.43 H new ATOM 0 HH22 ARG A 52 10.260 -3.482 16.098 1.00 2.43 H new ATOM 786 N SER A 53 1.964 -8.045 14.528 1.00 24.22 N ATOM 787 CA SER A 53 0.981 -8.508 13.547 1.00 53.05 C ATOM 788 C SER A 53 1.540 -9.417 12.449 1.00 52.24 C ATOM 789 O SER A 53 0.885 -10.389 12.070 1.00 52.23 O ATOM 790 CB SER A 53 0.232 -7.344 12.913 1.00 63.45 C ATOM 791 OG SER A 53 -0.204 -6.376 13.859 1.00 3.12 O ATOM 0 H SER A 53 2.033 -7.029 14.587 1.00 24.22 H new ATOM 0 HA SER A 53 0.295 -9.122 14.131 1.00 53.05 H new ATOM 0 HB2 SER A 53 0.878 -6.861 12.180 1.00 63.45 H new ATOM 0 HB3 SER A 53 -0.632 -7.728 12.372 1.00 63.45 H new ATOM 0 HG SER A 53 -0.676 -5.654 13.394 1.00 3.12 H new ATOM 796 N LYS A 54 2.742 -9.110 11.955 1.00 43.53 N ATOM 797 CA LYS A 54 3.475 -9.856 10.932 1.00 12.44 C ATOM 798 C LYS A 54 2.753 -9.851 9.584 1.00 11.22 C ATOM 799 O LYS A 54 2.800 -10.858 8.877 1.00 11.23 O ATOM 800 CB LYS A 54 3.811 -11.271 11.453 1.00 22.34 C ATOM 801 CG LYS A 54 4.789 -11.250 12.633 1.00 2.45 C ATOM 802 CD LYS A 54 6.237 -11.155 12.122 1.00 61.21 C ATOM 803 CE LYS A 54 6.705 -12.536 11.621 1.00 4.35 C ATOM 804 NZ LYS A 54 7.641 -12.478 10.471 1.00 32.33 N ATOM 0 H LYS A 54 3.257 -8.290 12.276 1.00 43.53 H new ATOM 0 HA LYS A 54 4.422 -9.352 10.738 1.00 12.44 H new ATOM 0 HB2 LYS A 54 2.891 -11.769 11.758 1.00 22.34 H new ATOM 0 HB3 LYS A 54 4.239 -11.860 10.642 1.00 22.34 H new ATOM 0 HG2 LYS A 54 4.569 -10.403 13.282 1.00 2.45 H new ATOM 0 HG3 LYS A 54 4.666 -12.152 13.233 1.00 2.45 H new ATOM 0 HD2 LYS A 54 6.301 -10.425 11.315 1.00 61.21 H new ATOM 0 HD3 LYS A 54 6.892 -10.806 12.920 1.00 61.21 H new ATOM 0 HE2 LYS A 54 7.188 -13.064 12.443 1.00 4.35 H new ATOM 0 HE3 LYS A 54 5.831 -13.122 11.336 1.00 4.35 H new ATOM 0 HZ1 LYS A 54 8.386 -13.194 10.593 1.00 32.33 H new ATOM 0 HZ2 LYS A 54 7.121 -12.666 9.590 1.00 32.33 H new ATOM 0 HZ3 LYS A 54 8.073 -11.533 10.422 1.00 32.33 H new ATOM 814 N GLY A 55 2.089 -8.756 9.213 1.00 4.14 N ATOM 815 CA GLY A 55 1.313 -8.735 7.982 1.00 24.23 C ATOM 816 C GLY A 55 0.958 -7.336 7.498 1.00 42.23 C ATOM 817 O GLY A 55 -0.204 -7.096 7.173 1.00 74.32 O ATOM 0 H GLY A 55 2.075 -7.884 9.742 1.00 4.14 H new ATOM 0 HA2 GLY A 55 1.876 -9.247 7.201 1.00 24.23 H new ATOM 0 HA3 GLY A 55 0.393 -9.300 8.135 1.00 24.23 H new ATOM 821 N ILE A 56 1.918 -6.405 7.471 1.00 23.40 N ATOM 822 CA ILE A 56 1.669 -4.995 7.151 1.00 74.31 C ATOM 823 C ILE A 56 2.769 -4.412 6.252 1.00 73.42 C ATOM 824 O ILE A 56 3.937 -4.788 6.373 1.00 3.51 O ATOM 825 CB ILE A 56 1.516 -4.172 8.457 1.00 51.04 C ATOM 826 CG1 ILE A 56 2.554 -4.537 9.538 1.00 41.15 C ATOM 827 CG2 ILE A 56 0.088 -4.325 9.008 1.00 13.54 C ATOM 828 CD1 ILE A 56 2.566 -3.582 10.735 1.00 42.42 C ATOM 0 H ILE A 56 2.897 -6.610 7.672 1.00 23.40 H new ATOM 0 HA ILE A 56 0.737 -4.935 6.589 1.00 74.31 H new ATOM 0 HB ILE A 56 1.704 -3.131 8.196 1.00 51.04 H new ATOM 0 HG12 ILE A 56 2.353 -5.547 9.894 1.00 41.15 H new ATOM 0 HG13 ILE A 56 3.546 -4.550 9.086 1.00 41.15 H new ATOM 0 HG21 ILE A 56 -0.012 -3.744 9.925 1.00 13.54 H new ATOM 0 HG22 ILE A 56 -0.628 -3.963 8.270 1.00 13.54 H new ATOM 0 HG23 ILE A 56 -0.109 -5.376 9.220 1.00 13.54 H new ATOM 0 HD11 ILE A 56 3.322 -3.905 11.451 1.00 42.42 H new ATOM 0 HD12 ILE A 56 2.798 -2.573 10.393 1.00 42.42 H new ATOM 0 HD13 ILE A 56 1.587 -3.587 11.214 1.00 42.42 H new ATOM 839 N ALA A 57 2.414 -3.450 5.389 1.00 35.43 N ATOM 840 CA ALA A 57 3.305 -2.614 4.583 1.00 21.15 C ATOM 841 C ALA A 57 2.556 -1.345 4.119 1.00 42.02 C ATOM 842 O ALA A 57 1.328 -1.332 4.132 1.00 31.51 O ATOM 843 CB ALA A 57 3.784 -3.426 3.372 1.00 62.31 C ATOM 0 H ALA A 57 1.433 -3.223 5.227 1.00 35.43 H new ATOM 0 HA ALA A 57 4.166 -2.307 5.177 1.00 21.15 H new ATOM 0 HB1 ALA A 57 4.449 -2.813 2.763 1.00 62.31 H new ATOM 0 HB2 ALA A 57 4.319 -4.311 3.716 1.00 62.31 H new ATOM 0 HB3 ALA A 57 2.924 -3.731 2.775 1.00 62.31 H new ATOM 849 N TYR A 58 3.265 -0.301 3.677 1.00 23.42 N ATOM 850 CA TYR A 58 2.711 0.906 3.046 1.00 44.13 C ATOM 851 C TYR A 58 3.486 1.161 1.749 1.00 3.24 C ATOM 852 O TYR A 58 4.686 1.409 1.801 1.00 55.53 O ATOM 853 CB TYR A 58 2.880 2.108 3.984 1.00 45.14 C ATOM 854 CG TYR A 58 2.242 1.956 5.340 1.00 13.30 C ATOM 855 CD1 TYR A 58 0.891 2.294 5.524 1.00 63.31 C ATOM 856 CD2 TYR A 58 3.007 1.484 6.419 1.00 13.33 C ATOM 857 CE1 TYR A 58 0.294 2.126 6.783 1.00 44.11 C ATOM 858 CE2 TYR A 58 2.411 1.311 7.677 1.00 4.30 C ATOM 859 CZ TYR A 58 1.045 1.621 7.867 1.00 40.14 C ATOM 860 OH TYR A 58 0.464 1.437 9.085 1.00 43.31 O ATOM 0 H TYR A 58 4.282 -0.271 3.751 1.00 23.42 H new ATOM 0 HA TYR A 58 1.650 0.768 2.838 1.00 44.13 H new ATOM 0 HB2 TYR A 58 3.945 2.296 4.120 1.00 45.14 H new ATOM 0 HB3 TYR A 58 2.460 2.989 3.499 1.00 45.14 H new ATOM 0 HD1 TYR A 58 0.313 2.682 4.698 1.00 63.31 H new ATOM 0 HD2 TYR A 58 4.053 1.254 6.280 1.00 13.33 H new ATOM 0 HE1 TYR A 58 -0.745 2.384 6.924 1.00 44.11 H new ATOM 0 HE2 TYR A 58 2.998 0.939 8.504 1.00 4.30 H new ATOM 0 HH TYR A 58 1.127 1.082 9.713 1.00 43.31 H new ATOM 869 N VAL A 59 2.857 1.066 0.579 1.00 2.03 N ATOM 870 CA VAL A 59 3.524 1.329 -0.699 1.00 41.45 C ATOM 871 C VAL A 59 3.166 2.744 -1.129 1.00 21.15 C ATOM 872 O VAL A 59 1.984 3.071 -1.236 1.00 61.14 O ATOM 873 CB VAL A 59 3.129 0.264 -1.742 1.00 12.22 C ATOM 874 CG1 VAL A 59 3.803 0.524 -3.095 1.00 2.10 C ATOM 875 CG2 VAL A 59 3.536 -1.143 -1.280 1.00 72.21 C ATOM 0 H VAL A 59 1.875 0.806 0.488 1.00 2.03 H new ATOM 0 HA VAL A 59 4.607 1.261 -0.600 1.00 41.45 H new ATOM 0 HB VAL A 59 2.046 0.327 -1.849 1.00 12.22 H new ATOM 0 HG11 VAL A 59 3.502 -0.246 -3.805 1.00 2.10 H new ATOM 0 HG12 VAL A 59 3.501 1.502 -3.470 1.00 2.10 H new ATOM 0 HG13 VAL A 59 4.886 0.501 -2.972 1.00 2.10 H new ATOM 0 HG21 VAL A 59 3.245 -1.873 -2.036 1.00 72.21 H new ATOM 0 HG22 VAL A 59 4.616 -1.181 -1.137 1.00 72.21 H new ATOM 0 HG23 VAL A 59 3.037 -1.376 -0.339 1.00 72.21 H new ATOM 885 N GLU A 60 4.160 3.602 -1.344 1.00 45.44 N ATOM 886 CA GLU A 60 3.934 4.902 -1.950 1.00 40.51 C ATOM 887 C GLU A 60 3.718 4.686 -3.442 1.00 23.34 C ATOM 888 O GLU A 60 4.638 4.267 -4.142 1.00 3.24 O ATOM 889 CB GLU A 60 5.100 5.868 -1.705 1.00 52.32 C ATOM 890 CG GLU A 60 5.015 6.484 -0.318 1.00 34.42 C ATOM 891 CD GLU A 60 6.166 7.451 -0.060 1.00 3.40 C ATOM 892 OE1 GLU A 60 6.213 8.511 -0.732 1.00 0.00 O ATOM 893 OE2 GLU A 60 6.984 7.191 0.851 1.00 11.04 O ATOM 0 H GLU A 60 5.134 3.414 -1.104 1.00 45.44 H new ATOM 0 HA GLU A 60 3.058 5.363 -1.494 1.00 40.51 H new ATOM 0 HB2 GLU A 60 6.046 5.337 -1.814 1.00 52.32 H new ATOM 0 HB3 GLU A 60 5.088 6.656 -2.458 1.00 52.32 H new ATOM 0 HG2 GLU A 60 4.066 7.010 -0.211 1.00 34.42 H new ATOM 0 HG3 GLU A 60 5.028 5.694 0.433 1.00 34.42 H new ATOM 898 N PHE A 61 2.518 4.972 -3.941 1.00 20.41 N ATOM 899 CA PHE A 61 2.295 5.090 -5.380 1.00 71.14 C ATOM 900 C PHE A 61 2.757 6.463 -5.870 1.00 15.30 C ATOM 901 O PHE A 61 2.916 7.393 -5.076 1.00 15.41 O ATOM 902 CB PHE A 61 0.807 4.924 -5.668 1.00 12.50 C ATOM 903 CG PHE A 61 0.400 3.543 -6.129 1.00 11.13 C ATOM 904 CD1 PHE A 61 -0.026 2.577 -5.199 1.00 52.24 C ATOM 905 CD2 PHE A 61 0.348 3.264 -7.506 1.00 71.34 C ATOM 906 CE1 PHE A 61 -0.599 1.379 -5.658 1.00 74.14 C ATOM 907 CE2 PHE A 61 -0.202 2.056 -7.955 1.00 23.15 C ATOM 908 CZ PHE A 61 -0.720 1.135 -7.033 1.00 62.21 C ATOM 0 H PHE A 61 1.686 5.126 -3.371 1.00 20.41 H new ATOM 0 HA PHE A 61 2.863 4.318 -5.899 1.00 71.14 H new ATOM 0 HB2 PHE A 61 0.247 5.170 -4.766 1.00 12.50 H new ATOM 0 HB3 PHE A 61 0.516 5.647 -6.431 1.00 12.50 H new ATOM 0 HD1 PHE A 61 0.087 2.755 -4.140 1.00 52.24 H new ATOM 0 HD2 PHE A 61 0.732 3.980 -8.217 1.00 71.34 H new ATOM 0 HE1 PHE A 61 -0.948 0.643 -4.948 1.00 74.14 H new ATOM 0 HE2 PHE A 61 -0.227 1.834 -9.012 1.00 23.15 H new ATOM 0 HZ PHE A 61 -1.212 0.239 -7.382 1.00 62.21 H new ATOM 917 N VAL A 62 2.882 6.619 -7.191 1.00 51.45 N ATOM 918 CA VAL A 62 3.111 7.921 -7.820 1.00 11.43 C ATOM 919 C VAL A 62 1.781 8.595 -8.217 1.00 4.01 C ATOM 920 O VAL A 62 1.804 9.761 -8.610 1.00 63.55 O ATOM 921 CB VAL A 62 4.042 7.767 -9.048 1.00 3.05 C ATOM 922 CG1 VAL A 62 4.563 9.109 -9.573 1.00 11.11 C ATOM 923 CG2 VAL A 62 5.267 6.863 -8.827 1.00 51.51 C ATOM 0 H VAL A 62 2.827 5.846 -7.854 1.00 51.45 H new ATOM 0 HA VAL A 62 3.600 8.568 -7.092 1.00 11.43 H new ATOM 0 HB VAL A 62 3.385 7.291 -9.777 1.00 3.05 H new ATOM 0 HG11 VAL A 62 5.210 8.937 -10.433 1.00 11.11 H new ATOM 0 HG12 VAL A 62 3.722 9.735 -9.871 1.00 11.11 H new ATOM 0 HG13 VAL A 62 5.129 9.612 -8.789 1.00 11.11 H new ATOM 0 HG21 VAL A 62 5.856 6.818 -9.743 1.00 51.51 H new ATOM 0 HG22 VAL A 62 5.879 7.269 -8.021 1.00 51.51 H new ATOM 0 HG23 VAL A 62 4.935 5.860 -8.560 1.00 51.51 H new ATOM 933 N ASP A 63 0.620 7.933 -8.156 1.00 33.33 N ATOM 934 CA ASP A 63 -0.612 8.468 -8.754 1.00 75.15 C ATOM 935 C ASP A 63 -1.826 8.336 -7.864 1.00 74.44 C ATOM 936 O ASP A 63 -2.099 7.269 -7.320 1.00 73.31 O ATOM 937 CB ASP A 63 -0.913 7.743 -10.068 1.00 1.02 C ATOM 938 CG ASP A 63 -2.173 8.256 -10.753 1.00 54.22 C ATOM 939 OD1 ASP A 63 -2.223 9.465 -11.064 1.00 55.51 O ATOM 940 OD2 ASP A 63 -3.067 7.437 -11.059 1.00 45.21 O ATOM 0 H ASP A 63 0.506 7.028 -7.700 1.00 33.33 H new ATOM 0 HA ASP A 63 -0.426 9.530 -8.912 1.00 75.15 H new ATOM 0 HB2 ASP A 63 -0.065 7.859 -10.743 1.00 1.02 H new ATOM 0 HB3 ASP A 63 -1.021 6.676 -9.872 1.00 1.02 H new ATOM 944 N VAL A 64 -2.598 9.418 -7.785 1.00 0.52 N ATOM 945 CA VAL A 64 -3.830 9.475 -7.019 1.00 34.40 C ATOM 946 C VAL A 64 -4.851 8.453 -7.504 1.00 71.31 C ATOM 947 O VAL A 64 -5.594 7.919 -6.676 1.00 51.13 O ATOM 948 CB VAL A 64 -4.387 10.921 -7.036 1.00 22.44 C ATOM 949 CG1 VAL A 64 -4.678 11.487 -8.435 1.00 52.24 C ATOM 950 CG2 VAL A 64 -5.666 11.039 -6.198 1.00 22.10 C ATOM 0 H VAL A 64 -2.376 10.292 -8.262 1.00 0.52 H new ATOM 0 HA VAL A 64 -3.612 9.206 -5.986 1.00 34.40 H new ATOM 0 HB VAL A 64 -3.580 11.514 -6.607 1.00 22.44 H new ATOM 0 HG11 VAL A 64 -5.064 12.502 -8.344 1.00 52.24 H new ATOM 0 HG12 VAL A 64 -3.759 11.499 -9.021 1.00 52.24 H new ATOM 0 HG13 VAL A 64 -5.418 10.861 -8.934 1.00 52.24 H new ATOM 0 HG21 VAL A 64 -6.030 12.066 -6.232 1.00 22.10 H new ATOM 0 HG22 VAL A 64 -6.428 10.371 -6.600 1.00 22.10 H new ATOM 0 HG23 VAL A 64 -5.451 10.764 -5.165 1.00 22.10 H new ATOM 960 N SER A 65 -4.923 8.166 -8.805 1.00 12.23 N ATOM 961 CA SER A 65 -6.002 7.308 -9.286 1.00 75.51 C ATOM 962 C SER A 65 -5.680 5.840 -9.047 1.00 41.32 C ATOM 963 O SER A 65 -6.574 4.999 -9.158 1.00 44.05 O ATOM 964 CB SER A 65 -6.351 7.650 -10.732 1.00 20.21 C ATOM 965 OG SER A 65 -6.695 9.025 -10.774 1.00 43.53 O ATOM 0 H SER A 65 -4.275 8.500 -9.518 1.00 12.23 H new ATOM 0 HA SER A 65 -6.906 7.500 -8.709 1.00 75.51 H new ATOM 0 HB2 SER A 65 -5.505 7.446 -11.389 1.00 20.21 H new ATOM 0 HB3 SER A 65 -7.181 7.036 -11.081 1.00 20.21 H new ATOM 0 HG SER A 65 -6.923 9.277 -11.693 1.00 43.53 H new ATOM 970 N SER A 66 -4.455 5.511 -8.638 1.00 13.31 N ATOM 971 CA SER A 66 -4.140 4.162 -8.243 1.00 55.03 C ATOM 972 C SER A 66 -4.584 3.819 -6.815 1.00 55.12 C ATOM 973 O SER A 66 -4.639 2.631 -6.507 1.00 43.14 O ATOM 974 CB SER A 66 -2.671 3.874 -8.472 1.00 25.32 C ATOM 975 OG SER A 66 -2.263 4.252 -9.780 1.00 2.00 O ATOM 0 H SER A 66 -3.676 6.166 -8.576 1.00 13.31 H new ATOM 0 HA SER A 66 -4.725 3.501 -8.882 1.00 55.03 H new ATOM 0 HB2 SER A 66 -2.075 4.411 -7.734 1.00 25.32 H new ATOM 0 HB3 SER A 66 -2.480 2.811 -8.323 1.00 25.32 H new ATOM 0 HG SER A 66 -1.288 4.180 -9.852 1.00 2.00 H new ATOM 980 N VAL A 67 -4.985 4.784 -5.976 1.00 43.04 N ATOM 981 CA VAL A 67 -5.559 4.483 -4.662 1.00 34.13 C ATOM 982 C VAL A 67 -6.852 3.659 -4.861 1.00 34.40 C ATOM 983 O VAL A 67 -6.886 2.509 -4.411 1.00 52.44 O ATOM 984 CB VAL A 67 -5.700 5.766 -3.798 1.00 21.33 C ATOM 985 CG1 VAL A 67 -6.423 5.486 -2.472 1.00 41.13 C ATOM 986 CG2 VAL A 67 -4.331 6.399 -3.465 1.00 42.52 C ATOM 0 H VAL A 67 -4.921 5.780 -6.186 1.00 43.04 H new ATOM 0 HA VAL A 67 -4.888 3.858 -4.073 1.00 34.13 H new ATOM 0 HB VAL A 67 -6.286 6.458 -4.403 1.00 21.33 H new ATOM 0 HG11 VAL A 67 -6.501 6.409 -1.898 1.00 41.13 H new ATOM 0 HG12 VAL A 67 -7.422 5.101 -2.677 1.00 41.13 H new ATOM 0 HG13 VAL A 67 -5.860 4.749 -1.899 1.00 41.13 H new ATOM 0 HG21 VAL A 67 -4.481 7.293 -2.860 1.00 42.52 H new ATOM 0 HG22 VAL A 67 -3.724 5.683 -2.911 1.00 42.52 H new ATOM 0 HG23 VAL A 67 -3.820 6.668 -4.389 1.00 42.52 H new ATOM 996 N PRO A 68 -7.885 4.153 -5.575 1.00 22.45 N ATOM 997 CA PRO A 68 -9.075 3.359 -5.862 1.00 22.54 C ATOM 998 C PRO A 68 -8.805 2.149 -6.770 1.00 54.31 C ATOM 999 O PRO A 68 -9.605 1.207 -6.780 1.00 3.11 O ATOM 1000 CB PRO A 68 -10.090 4.337 -6.461 1.00 34.24 C ATOM 1001 CG PRO A 68 -9.240 5.463 -7.034 1.00 2.45 C ATOM 1002 CD PRO A 68 -8.054 5.511 -6.079 1.00 2.42 C ATOM 0 HA PRO A 68 -9.457 2.900 -4.950 1.00 22.54 H new ATOM 0 HB2 PRO A 68 -10.692 3.860 -7.235 1.00 34.24 H new ATOM 0 HB3 PRO A 68 -10.780 4.707 -5.703 1.00 34.24 H new ATOM 0 HG2 PRO A 68 -8.927 5.253 -8.057 1.00 2.45 H new ATOM 0 HG3 PRO A 68 -9.782 6.409 -7.054 1.00 2.45 H new ATOM 0 HD2 PRO A 68 -7.154 5.851 -6.592 1.00 2.42 H new ATOM 0 HD3 PRO A 68 -8.239 6.209 -5.263 1.00 2.42 H new ATOM 1007 N LEU A 69 -7.689 2.117 -7.511 1.00 33.33 N ATOM 1008 CA LEU A 69 -7.250 0.902 -8.187 1.00 12.21 C ATOM 1009 C LEU A 69 -6.928 -0.159 -7.132 1.00 73.14 C ATOM 1010 O LEU A 69 -7.529 -1.227 -7.137 1.00 2.34 O ATOM 1011 CB LEU A 69 -6.045 1.183 -9.098 1.00 3.34 C ATOM 1012 CG LEU A 69 -5.974 0.269 -10.328 1.00 63.13 C ATOM 1013 CD1 LEU A 69 -4.739 0.694 -11.125 1.00 4.44 C ATOM 1014 CD2 LEU A 69 -5.905 -1.220 -9.980 1.00 15.52 C ATOM 0 H LEU A 69 -7.078 2.921 -7.654 1.00 33.33 H new ATOM 0 HA LEU A 69 -8.047 0.531 -8.831 1.00 12.21 H new ATOM 0 HB2 LEU A 69 -6.086 2.221 -9.429 1.00 3.34 H new ATOM 0 HB3 LEU A 69 -5.129 1.069 -8.519 1.00 3.34 H new ATOM 0 HG LEU A 69 -6.891 0.382 -10.906 1.00 63.13 H new ATOM 0 HD11 LEU A 69 -4.646 0.069 -12.013 1.00 4.44 H new ATOM 0 HD12 LEU A 69 -4.840 1.737 -11.424 1.00 4.44 H new ATOM 0 HD13 LEU A 69 -3.849 0.579 -10.506 1.00 4.44 H new ATOM 0 HD21 LEU A 69 -5.857 -1.806 -10.898 1.00 15.52 H new ATOM 0 HD22 LEU A 69 -5.016 -1.412 -9.379 1.00 15.52 H new ATOM 0 HD23 LEU A 69 -6.793 -1.503 -9.415 1.00 15.52 H new ATOM 1025 N ALA A 70 -6.003 0.144 -6.215 1.00 63.32 N ATOM 1026 CA ALA A 70 -5.518 -0.772 -5.193 1.00 14.23 C ATOM 1027 C ALA A 70 -6.654 -1.324 -4.331 1.00 13.25 C ATOM 1028 O ALA A 70 -6.622 -2.498 -3.956 1.00 2.01 O ATOM 1029 CB ALA A 70 -4.471 -0.064 -4.327 1.00 40.12 C ATOM 0 H ALA A 70 -5.562 1.062 -6.167 1.00 63.32 H new ATOM 0 HA ALA A 70 -5.059 -1.626 -5.692 1.00 14.23 H new ATOM 0 HB1 ALA A 70 -4.108 -0.750 -3.562 1.00 40.12 H new ATOM 0 HB2 ALA A 70 -3.638 0.256 -4.952 1.00 40.12 H new ATOM 0 HB3 ALA A 70 -4.922 0.806 -3.850 1.00 40.12 H new ATOM 1035 N ILE A 71 -7.664 -0.505 -4.026 1.00 5.14 N ATOM 1036 CA ILE A 71 -8.869 -0.932 -3.312 1.00 12.21 C ATOM 1037 C ILE A 71 -9.495 -2.113 -4.065 1.00 73.11 C ATOM 1038 O ILE A 71 -9.743 -3.163 -3.469 1.00 54.23 O ATOM 1039 CB ILE A 71 -9.818 0.279 -3.132 1.00 14.53 C ATOM 1040 CG1 ILE A 71 -9.169 1.257 -2.130 1.00 21.24 C ATOM 1041 CG2 ILE A 71 -11.219 -0.121 -2.642 1.00 2.14 C ATOM 1042 CD1 ILE A 71 -9.943 2.560 -1.913 1.00 11.43 C ATOM 0 H ILE A 71 -7.667 0.485 -4.271 1.00 5.14 H new ATOM 0 HA ILE A 71 -8.639 -1.286 -2.307 1.00 12.21 H new ATOM 0 HB ILE A 71 -9.957 0.746 -4.107 1.00 14.53 H new ATOM 0 HG12 ILE A 71 -9.059 0.752 -1.170 1.00 21.24 H new ATOM 0 HG13 ILE A 71 -8.166 1.501 -2.479 1.00 21.24 H new ATOM 0 HG21 ILE A 71 -11.836 0.771 -2.536 1.00 2.14 H new ATOM 0 HG22 ILE A 71 -11.678 -0.796 -3.364 1.00 2.14 H new ATOM 0 HG23 ILE A 71 -11.138 -0.623 -1.678 1.00 2.14 H new ATOM 0 HD11 ILE A 71 -9.412 3.183 -1.194 1.00 11.43 H new ATOM 0 HD12 ILE A 71 -10.031 3.093 -2.860 1.00 11.43 H new ATOM 0 HD13 ILE A 71 -10.938 2.333 -1.531 1.00 11.43 H new ATOM 1053 N GLY A 72 -9.655 -1.979 -5.383 1.00 64.23 N ATOM 1054 CA GLY A 72 -10.251 -2.980 -6.250 1.00 63.32 C ATOM 1055 C GLY A 72 -9.474 -4.292 -6.362 1.00 2.24 C ATOM 1056 O GLY A 72 -9.963 -5.243 -6.980 1.00 64.34 O ATOM 0 H GLY A 72 -9.362 -1.141 -5.886 1.00 64.23 H new ATOM 0 HA2 GLY A 72 -11.255 -3.201 -5.886 1.00 63.32 H new ATOM 0 HA3 GLY A 72 -10.360 -2.555 -7.248 1.00 63.32 H new ATOM 1060 N LEU A 73 -8.278 -4.382 -5.781 1.00 34.33 N ATOM 1061 CA LEU A 73 -7.427 -5.566 -5.838 1.00 24.41 C ATOM 1062 C LEU A 73 -7.574 -6.446 -4.588 1.00 52.52 C ATOM 1063 O LEU A 73 -6.923 -7.486 -4.532 1.00 22.31 O ATOM 1064 CB LEU A 73 -5.970 -5.142 -6.077 1.00 73.33 C ATOM 1065 CG LEU A 73 -5.717 -4.375 -7.391 1.00 25.44 C ATOM 1066 CD1 LEU A 73 -4.254 -3.923 -7.456 1.00 51.42 C ATOM 1067 CD2 LEU A 73 -6.003 -5.217 -8.640 1.00 44.54 C ATOM 0 H LEU A 73 -7.867 -3.617 -5.247 1.00 34.33 H new ATOM 0 HA LEU A 73 -7.751 -6.184 -6.676 1.00 24.41 H new ATOM 0 HB2 LEU A 73 -5.648 -4.518 -5.243 1.00 73.33 H new ATOM 0 HB3 LEU A 73 -5.343 -6.033 -6.069 1.00 73.33 H new ATOM 0 HG LEU A 73 -6.400 -3.525 -7.385 1.00 25.44 H new ATOM 0 HD11 LEU A 73 -4.081 -3.382 -8.386 1.00 51.42 H new ATOM 0 HD12 LEU A 73 -4.037 -3.270 -6.611 1.00 51.42 H new ATOM 0 HD13 LEU A 73 -3.602 -4.795 -7.417 1.00 51.42 H new ATOM 0 HD21 LEU A 73 -5.807 -4.623 -9.532 1.00 44.54 H new ATOM 0 HD22 LEU A 73 -5.359 -6.097 -8.641 1.00 44.54 H new ATOM 0 HD23 LEU A 73 -7.047 -5.531 -8.636 1.00 44.54 H new ATOM 1078 N THR A 74 -8.440 -6.086 -3.631 1.00 11.11 N ATOM 1079 CA THR A 74 -8.542 -6.715 -2.311 1.00 31.55 C ATOM 1080 C THR A 74 -8.705 -8.251 -2.309 1.00 23.11 C ATOM 1081 O THR A 74 -8.377 -8.891 -1.308 1.00 2.13 O ATOM 1082 CB THR A 74 -9.642 -6.010 -1.488 1.00 64.43 C ATOM 1083 OG1 THR A 74 -9.639 -6.440 -0.140 1.00 71.42 O ATOM 1084 CG2 THR A 74 -11.053 -6.219 -2.054 1.00 54.41 C ATOM 0 H THR A 74 -9.108 -5.326 -3.760 1.00 11.11 H new ATOM 0 HA THR A 74 -7.571 -6.574 -1.836 1.00 31.55 H new ATOM 0 HB THR A 74 -9.399 -4.949 -1.548 1.00 64.43 H new ATOM 0 HG1 THR A 74 -8.764 -6.822 0.079 1.00 71.42 H new ATOM 0 HG21 THR A 74 -11.777 -5.697 -1.428 1.00 54.41 H new ATOM 0 HG22 THR A 74 -11.100 -5.825 -3.069 1.00 54.41 H new ATOM 0 HG23 THR A 74 -11.286 -7.284 -2.067 1.00 54.41 H new ATOM 1092 N GLY A 75 -9.217 -8.849 -3.387 1.00 2.12 N ATOM 1093 CA GLY A 75 -9.593 -10.258 -3.441 1.00 20.11 C ATOM 1094 C GLY A 75 -8.623 -11.115 -4.247 1.00 2.20 C ATOM 1095 O GLY A 75 -8.874 -12.313 -4.417 1.00 31.15 O ATOM 0 H GLY A 75 -9.384 -8.354 -4.263 1.00 2.12 H new ATOM 0 HA2 GLY A 75 -9.654 -10.649 -2.425 1.00 20.11 H new ATOM 0 HA3 GLY A 75 -10.589 -10.344 -3.876 1.00 20.11 H new ATOM 1099 N GLN A 76 -7.548 -10.528 -4.776 1.00 21.14 N ATOM 1100 CA GLN A 76 -6.398 -11.288 -5.236 1.00 2.43 C ATOM 1101 C GLN A 76 -5.654 -11.823 -4.000 1.00 60.23 C ATOM 1102 O GLN A 76 -5.988 -11.442 -2.879 1.00 53.01 O ATOM 1103 CB GLN A 76 -5.505 -10.377 -6.071 1.00 0.41 C ATOM 1104 CG GLN A 76 -6.185 -9.764 -7.308 1.00 51.11 C ATOM 1105 CD GLN A 76 -5.223 -9.548 -8.475 1.00 42.22 C ATOM 1106 OE1 GLN A 76 -5.292 -8.404 -9.128 1.00 31.14 O flip ATOM 1107 NE2 GLN A 76 -4.402 -10.395 -8.820 1.00 3.10 N flip ATOM 0 H GLN A 76 -7.456 -9.519 -4.895 1.00 21.14 H new ATOM 0 HA GLN A 76 -6.701 -12.130 -5.859 1.00 2.43 H new ATOM 0 HB2 GLN A 76 -5.140 -9.569 -5.437 1.00 0.41 H new ATOM 0 HB3 GLN A 76 -4.634 -10.945 -6.397 1.00 0.41 H new ATOM 0 HG2 GLN A 76 -6.997 -10.417 -7.630 1.00 51.11 H new ATOM 0 HG3 GLN A 76 -6.633 -8.809 -7.033 1.00 51.11 H new ATOM 0 HE21 GLN A 76 -4.343 -11.282 -8.320 1.00 3.10 H new ATOM 0 HE22 GLN A 76 -3.779 -10.211 -9.607 1.00 3.10 H new ATOM 1114 N ARG A 77 -4.666 -12.710 -4.173 1.00 20.34 N ATOM 1115 CA ARG A 77 -3.817 -13.182 -3.078 1.00 52.32 C ATOM 1116 C ARG A 77 -2.517 -13.844 -3.550 1.00 21.11 C ATOM 1117 O ARG A 77 -2.412 -15.078 -3.579 1.00 71.21 O ATOM 1118 CB ARG A 77 -4.605 -14.117 -2.166 1.00 14.03 C ATOM 1119 CG ARG A 77 -5.406 -15.154 -2.963 1.00 44.21 C ATOM 1120 CD ARG A 77 -5.762 -16.315 -2.066 1.00 2.32 C ATOM 1121 NE ARG A 77 -6.279 -17.449 -2.841 1.00 61.15 N ATOM 1122 CZ ARG A 77 -6.316 -18.703 -2.392 1.00 2.03 C ATOM 1123 NH1 ARG A 77 -5.956 -18.966 -1.139 1.00 40.02 N ATOM 1124 NH2 ARG A 77 -6.707 -19.690 -3.187 1.00 34.44 N ATOM 0 H ARG A 77 -4.435 -13.120 -5.078 1.00 20.34 H new ATOM 0 HA ARG A 77 -3.513 -12.298 -2.517 1.00 52.32 H new ATOM 0 HB2 ARG A 77 -3.919 -14.629 -1.491 1.00 14.03 H new ATOM 0 HB3 ARG A 77 -5.284 -13.532 -1.546 1.00 14.03 H new ATOM 0 HG2 ARG A 77 -6.312 -14.699 -3.364 1.00 44.21 H new ATOM 0 HG3 ARG A 77 -4.822 -15.504 -3.814 1.00 44.21 H new ATOM 0 HD2 ARG A 77 -4.881 -16.627 -1.505 1.00 2.32 H new ATOM 0 HD3 ARG A 77 -6.509 -15.999 -1.338 1.00 2.32 H new ATOM 0 HE ARG A 77 -6.631 -17.266 -3.781 1.00 61.15 H new ATOM 0 HH11 ARG A 77 -5.653 -18.209 -0.526 1.00 40.02 H new ATOM 0 HH12 ARG A 77 -5.983 -19.924 -0.791 1.00 40.02 H new ATOM 0 HH21 ARG A 77 -6.982 -19.492 -4.149 1.00 34.44 H new ATOM 0 HH22 ARG A 77 -6.733 -20.648 -2.836 1.00 34.44 H new ATOM 1135 N VAL A 78 -1.499 -13.051 -3.866 1.00 1.11 N ATOM 1136 CA VAL A 78 -0.251 -13.556 -4.443 1.00 12.55 C ATOM 1137 C VAL A 78 0.394 -14.508 -3.447 1.00 63.22 C ATOM 1138 O VAL A 78 0.706 -14.123 -2.321 1.00 5.10 O ATOM 1139 CB VAL A 78 0.742 -12.467 -4.904 1.00 24.42 C ATOM 1140 CG1 VAL A 78 0.320 -11.839 -6.235 1.00 33.31 C ATOM 1141 CG2 VAL A 78 0.996 -11.349 -3.889 1.00 42.14 C ATOM 0 H VAL A 78 -1.512 -12.040 -3.731 1.00 1.11 H new ATOM 0 HA VAL A 78 -0.515 -14.077 -5.364 1.00 12.55 H new ATOM 0 HB VAL A 78 1.680 -13.009 -5.019 1.00 24.42 H new ATOM 0 HG11 VAL A 78 1.045 -11.078 -6.524 1.00 33.31 H new ATOM 0 HG12 VAL A 78 0.277 -12.610 -7.004 1.00 33.31 H new ATOM 0 HG13 VAL A 78 -0.663 -11.381 -6.126 1.00 33.31 H new ATOM 0 HG21 VAL A 78 1.706 -10.634 -4.305 1.00 42.14 H new ATOM 0 HG22 VAL A 78 0.058 -10.841 -3.665 1.00 42.14 H new ATOM 0 HG23 VAL A 78 1.405 -11.775 -2.973 1.00 42.14 H new ATOM 1151 N LEU A 79 0.539 -15.780 -3.821 1.00 0.32 N ATOM 1152 CA LEU A 79 1.086 -16.846 -2.979 1.00 61.44 C ATOM 1153 C LEU A 79 0.292 -17.102 -1.701 1.00 3.12 C ATOM 1154 O LEU A 79 0.653 -18.010 -0.951 1.00 65.12 O ATOM 1155 CB LEU A 79 2.587 -16.615 -2.675 1.00 1.53 C ATOM 1156 CG LEU A 79 3.469 -16.228 -3.878 1.00 15.30 C ATOM 1157 CD1 LEU A 79 4.943 -16.178 -3.468 1.00 45.14 C ATOM 1158 CD2 LEU A 79 3.328 -17.211 -5.039 1.00 14.35 C ATOM 0 H LEU A 79 0.270 -16.108 -4.749 1.00 0.32 H new ATOM 0 HA LEU A 79 0.989 -17.758 -3.569 1.00 61.44 H new ATOM 0 HB2 LEU A 79 2.668 -15.830 -1.923 1.00 1.53 H new ATOM 0 HB3 LEU A 79 2.991 -17.525 -2.231 1.00 1.53 H new ATOM 0 HG LEU A 79 3.129 -15.246 -4.207 1.00 15.30 H new ATOM 0 HD11 LEU A 79 5.551 -15.903 -4.330 1.00 45.14 H new ATOM 0 HD12 LEU A 79 5.076 -15.438 -2.679 1.00 45.14 H new ATOM 0 HD13 LEU A 79 5.253 -17.157 -3.103 1.00 45.14 H new ATOM 0 HD21 LEU A 79 3.969 -16.896 -5.863 1.00 14.35 H new ATOM 0 HD22 LEU A 79 3.624 -18.207 -4.710 1.00 14.35 H new ATOM 0 HD23 LEU A 79 2.291 -17.232 -5.374 1.00 14.35 H new ATOM 1169 N GLY A 80 -0.820 -16.397 -1.477 1.00 14.01 N ATOM 1170 CA GLY A 80 -1.568 -16.449 -0.233 1.00 1.20 C ATOM 1171 C GLY A 80 -1.624 -15.105 0.490 1.00 45.31 C ATOM 1172 O GLY A 80 -2.023 -15.074 1.653 1.00 52.35 O ATOM 0 H GLY A 80 -1.226 -15.767 -2.169 1.00 14.01 H new ATOM 0 HA2 GLY A 80 -2.584 -16.785 -0.441 1.00 1.20 H new ATOM 0 HA3 GLY A 80 -1.115 -17.190 0.425 1.00 1.20 H new ATOM 1176 N VAL A 81 -1.229 -14.008 -0.156 1.00 63.35 N ATOM 1177 CA VAL A 81 -1.181 -12.670 0.420 1.00 13.02 C ATOM 1178 C VAL A 81 -2.226 -11.777 -0.244 1.00 31.42 C ATOM 1179 O VAL A 81 -1.909 -11.160 -1.262 1.00 72.13 O ATOM 1180 CB VAL A 81 0.238 -12.092 0.365 1.00 13.25 C ATOM 1181 CG1 VAL A 81 0.265 -10.680 0.970 1.00 11.24 C ATOM 1182 CG2 VAL A 81 1.163 -13.033 1.146 1.00 32.11 C ATOM 0 H VAL A 81 -0.923 -14.031 -1.129 1.00 63.35 H new ATOM 0 HA VAL A 81 -1.435 -12.724 1.479 1.00 13.02 H new ATOM 0 HB VAL A 81 0.574 -12.013 -0.669 1.00 13.25 H new ATOM 0 HG11 VAL A 81 1.279 -10.284 0.923 1.00 11.24 H new ATOM 0 HG12 VAL A 81 -0.405 -10.030 0.407 1.00 11.24 H new ATOM 0 HG13 VAL A 81 -0.060 -10.723 2.009 1.00 11.24 H new ATOM 0 HG21 VAL A 81 2.181 -12.644 1.123 1.00 32.11 H new ATOM 0 HG22 VAL A 81 0.824 -13.101 2.180 1.00 32.11 H new ATOM 0 HG23 VAL A 81 1.142 -14.024 0.691 1.00 32.11 H new ATOM 1192 N PRO A 82 -3.476 -11.785 0.243 1.00 4.04 N ATOM 1193 CA PRO A 82 -4.465 -10.774 -0.111 1.00 31.54 C ATOM 1194 C PRO A 82 -4.114 -9.410 0.500 1.00 3.43 C ATOM 1195 O PRO A 82 -3.203 -9.298 1.325 1.00 44.54 O ATOM 1196 CB PRO A 82 -5.780 -11.297 0.475 1.00 35.13 C ATOM 1197 CG PRO A 82 -5.290 -11.989 1.746 1.00 2.00 C ATOM 1198 CD PRO A 82 -4.006 -12.655 1.287 1.00 0.40 C ATOM 0 HA PRO A 82 -4.516 -10.620 -1.189 1.00 31.54 H new ATOM 0 HB2 PRO A 82 -6.482 -10.492 0.691 1.00 35.13 H new ATOM 0 HB3 PRO A 82 -6.285 -11.988 -0.200 1.00 35.13 H new ATOM 0 HG2 PRO A 82 -5.112 -11.277 2.552 1.00 2.00 H new ATOM 0 HG3 PRO A 82 -6.013 -12.715 2.117 1.00 2.00 H new ATOM 0 HD2 PRO A 82 -3.299 -12.757 2.111 1.00 0.40 H new ATOM 0 HD3 PRO A 82 -4.197 -13.658 0.905 1.00 0.40 H new ATOM 1203 N ILE A 83 -4.905 -8.386 0.170 1.00 23.11 N ATOM 1204 CA ILE A 83 -4.712 -7.018 0.631 1.00 41.34 C ATOM 1205 C ILE A 83 -6.041 -6.421 1.085 1.00 33.13 C ATOM 1206 O ILE A 83 -7.073 -6.612 0.446 1.00 3.50 O ATOM 1207 CB ILE A 83 -4.041 -6.201 -0.492 1.00 52.15 C ATOM 1208 CG1 ILE A 83 -3.645 -4.819 0.056 1.00 41.23 C ATOM 1209 CG2 ILE A 83 -4.900 -6.069 -1.772 1.00 1.11 C ATOM 1210 CD1 ILE A 83 -2.835 -3.971 -0.920 1.00 45.22 C ATOM 0 H ILE A 83 -5.716 -8.493 -0.440 1.00 23.11 H new ATOM 0 HA ILE A 83 -4.052 -6.997 1.498 1.00 41.34 H new ATOM 0 HB ILE A 83 -3.153 -6.751 -0.803 1.00 52.15 H new ATOM 0 HG12 ILE A 83 -4.549 -4.275 0.329 1.00 41.23 H new ATOM 0 HG13 ILE A 83 -3.066 -4.954 0.970 1.00 41.23 H new ATOM 0 HG21 ILE A 83 -4.359 -5.481 -2.514 1.00 1.11 H new ATOM 0 HG22 ILE A 83 -5.107 -7.060 -2.175 1.00 1.11 H new ATOM 0 HG23 ILE A 83 -5.840 -5.572 -1.530 1.00 1.11 H new ATOM 0 HD11 ILE A 83 -2.596 -3.013 -0.458 1.00 45.22 H new ATOM 0 HD12 ILE A 83 -1.912 -4.491 -1.175 1.00 45.22 H new ATOM 0 HD13 ILE A 83 -3.418 -3.802 -1.825 1.00 45.22 H new ATOM 1221 N ILE A 84 -6.035 -5.653 2.172 1.00 23.20 N ATOM 1222 CA ILE A 84 -7.228 -4.940 2.624 1.00 24.41 C ATOM 1223 C ILE A 84 -7.455 -3.696 1.760 1.00 44.31 C ATOM 1224 O ILE A 84 -6.503 -3.011 1.393 1.00 20.51 O ATOM 1225 CB ILE A 84 -7.066 -4.586 4.121 1.00 23.30 C ATOM 1226 CG1 ILE A 84 -6.802 -5.834 4.989 1.00 53.22 C ATOM 1227 CG2 ILE A 84 -8.275 -3.841 4.710 1.00 20.35 C ATOM 1228 CD1 ILE A 84 -7.714 -7.019 4.668 1.00 21.24 C ATOM 0 H ILE A 84 -5.213 -5.508 2.759 1.00 23.20 H new ATOM 0 HA ILE A 84 -8.110 -5.571 2.516 1.00 24.41 H new ATOM 0 HB ILE A 84 -6.202 -3.922 4.148 1.00 23.30 H new ATOM 0 HG12 ILE A 84 -5.764 -6.142 4.859 1.00 53.22 H new ATOM 0 HG13 ILE A 84 -6.926 -5.567 6.038 1.00 53.22 H new ATOM 0 HG21 ILE A 84 -8.092 -3.625 5.763 1.00 20.35 H new ATOM 0 HG22 ILE A 84 -8.426 -2.907 4.169 1.00 20.35 H new ATOM 0 HG23 ILE A 84 -9.166 -4.462 4.617 1.00 20.35 H new ATOM 0 HD11 ILE A 84 -7.466 -7.856 5.320 1.00 21.24 H new ATOM 0 HD12 ILE A 84 -8.753 -6.731 4.826 1.00 21.24 H new ATOM 0 HD13 ILE A 84 -7.574 -7.315 3.628 1.00 21.24 H new ATOM 1239 N VAL A 85 -8.721 -3.350 1.531 1.00 4.14 N ATOM 1240 CA VAL A 85 -9.245 -2.132 0.891 1.00 52.04 C ATOM 1241 C VAL A 85 -8.882 -0.802 1.581 1.00 13.45 C ATOM 1242 O VAL A 85 -9.441 0.234 1.239 1.00 44.12 O ATOM 1243 CB VAL A 85 -10.784 -2.261 0.839 1.00 3.43 C ATOM 1244 CG1 VAL A 85 -11.205 -3.436 -0.023 1.00 25.24 C ATOM 1245 CG2 VAL A 85 -11.447 -2.407 2.222 1.00 54.34 C ATOM 0 H VAL A 85 -9.481 -3.969 1.813 1.00 4.14 H new ATOM 0 HA VAL A 85 -8.777 -2.076 -0.092 1.00 52.04 H new ATOM 0 HB VAL A 85 -11.128 -1.322 0.405 1.00 3.43 H new ATOM 0 HG11 VAL A 85 -12.293 -3.502 -0.041 1.00 25.24 H new ATOM 0 HG12 VAL A 85 -10.833 -3.295 -1.038 1.00 25.24 H new ATOM 0 HG13 VAL A 85 -10.792 -4.356 0.390 1.00 25.24 H new ATOM 0 HG21 VAL A 85 -12.527 -2.492 2.101 1.00 54.34 H new ATOM 0 HG22 VAL A 85 -11.066 -3.301 2.716 1.00 54.34 H new ATOM 0 HG23 VAL A 85 -11.218 -1.531 2.830 1.00 54.34 H new ATOM 1255 N GLN A 86 -8.056 -0.827 2.623 1.00 44.42 N ATOM 1256 CA GLN A 86 -8.013 0.245 3.613 1.00 32.40 C ATOM 1257 C GLN A 86 -7.591 1.604 3.070 1.00 61.13 C ATOM 1258 O GLN A 86 -8.103 2.616 3.547 1.00 34.43 O ATOM 1259 CB GLN A 86 -7.128 -0.144 4.813 1.00 32.34 C ATOM 1260 CG GLN A 86 -8.009 -0.331 6.051 1.00 41.24 C ATOM 1261 CD GLN A 86 -7.240 -0.511 7.348 1.00 4.51 C ATOM 1262 OE1 GLN A 86 -7.181 -1.621 7.880 1.00 21.52 O ATOM 1263 NE2 GLN A 86 -6.679 0.571 7.856 1.00 11.32 N ATOM 0 H GLN A 86 -7.400 -1.587 2.805 1.00 44.42 H new ATOM 0 HA GLN A 86 -9.048 0.364 3.935 1.00 32.40 H new ATOM 0 HB2 GLN A 86 -6.585 -1.064 4.596 1.00 32.34 H new ATOM 0 HB3 GLN A 86 -6.383 0.630 4.996 1.00 32.34 H new ATOM 0 HG2 GLN A 86 -8.665 0.534 6.149 1.00 41.24 H new ATOM 0 HG3 GLN A 86 -8.649 -1.200 5.899 1.00 41.24 H new ATOM 0 HE21 GLN A 86 -6.761 1.464 7.370 1.00 11.32 H new ATOM 0 HE22 GLN A 86 -6.163 0.514 8.734 1.00 11.32 H new ATOM 1270 N ALA A 87 -6.651 1.638 2.125 1.00 51.04 N ATOM 1271 CA ALA A 87 -5.898 2.805 1.736 1.00 5.00 C ATOM 1272 C ALA A 87 -5.138 3.364 2.938 1.00 51.02 C ATOM 1273 O ALA A 87 -5.256 2.896 4.071 1.00 63.42 O ATOM 1274 CB ALA A 87 -6.818 3.806 1.027 1.00 22.23 C ATOM 0 H ALA A 87 -6.391 0.808 1.592 1.00 51.04 H new ATOM 0 HA ALA A 87 -5.130 2.548 1.006 1.00 5.00 H new ATOM 0 HB1 ALA A 87 -6.243 4.685 0.736 1.00 22.23 H new ATOM 0 HB2 ALA A 87 -7.245 3.341 0.139 1.00 22.23 H new ATOM 0 HB3 ALA A 87 -7.620 4.104 1.702 1.00 22.23 H new ATOM 1280 N SER A 88 -4.306 4.358 2.684 1.00 33.31 N ATOM 1281 CA SER A 88 -3.565 5.068 3.720 1.00 0.04 C ATOM 1282 C SER A 88 -4.065 6.523 3.738 1.00 0.32 C ATOM 1283 O SER A 88 -3.291 7.478 3.654 1.00 42.43 O ATOM 1284 CB SER A 88 -2.056 4.912 3.487 1.00 52.42 C ATOM 1285 OG SER A 88 -1.372 4.785 4.718 1.00 4.22 O ATOM 0 H SER A 88 -4.121 4.702 1.742 1.00 33.31 H new ATOM 0 HA SER A 88 -3.740 4.651 4.712 1.00 0.04 H new ATOM 0 HB2 SER A 88 -1.867 4.035 2.868 1.00 52.42 H new ATOM 0 HB3 SER A 88 -1.676 5.775 2.941 1.00 52.42 H new ATOM 0 HG SER A 88 -0.412 4.685 4.550 1.00 4.22 H new ATOM 1290 N GLN A 89 -5.390 6.678 3.800 1.00 15.31 N ATOM 1291 CA GLN A 89 -6.085 7.955 3.897 1.00 60.34 C ATOM 1292 C GLN A 89 -5.885 8.545 5.303 1.00 61.44 C ATOM 1293 O GLN A 89 -5.178 7.961 6.128 1.00 74.35 O ATOM 1294 CB GLN A 89 -7.570 7.727 3.572 1.00 2.24 C ATOM 1295 CG GLN A 89 -7.819 7.272 2.136 1.00 0.34 C ATOM 1296 CD GLN A 89 -7.783 8.412 1.122 1.00 62.32 C ATOM 1297 OE1 GLN A 89 -6.752 8.761 0.552 1.00 12.32 O ATOM 1298 NE2 GLN A 89 -8.910 9.056 0.890 1.00 54.03 N ATOM 0 H GLN A 89 -6.029 5.883 3.783 1.00 15.31 H new ATOM 0 HA GLN A 89 -5.682 8.674 3.183 1.00 60.34 H new ATOM 0 HB2 GLN A 89 -7.972 6.980 4.256 1.00 2.24 H new ATOM 0 HB3 GLN A 89 -8.119 8.652 3.752 1.00 2.24 H new ATOM 0 HG2 GLN A 89 -7.069 6.530 1.863 1.00 0.34 H new ATOM 0 HG3 GLN A 89 -8.790 6.779 2.082 1.00 0.34 H new ATOM 0 HE21 GLN A 89 -9.768 8.769 1.361 1.00 54.03 H new ATOM 0 HE22 GLN A 89 -8.924 9.841 0.239 1.00 54.03 H new ATOM 1305 N ALA A 90 -6.469 9.717 5.577 1.00 43.41 N ATOM 1306 CA ALA A 90 -6.324 10.426 6.842 1.00 24.30 C ATOM 1307 C ALA A 90 -7.686 10.929 7.327 1.00 65.33 C ATOM 1308 O ALA A 90 -8.617 11.106 6.536 1.00 4.30 O ATOM 1309 CB ALA A 90 -5.342 11.595 6.658 1.00 20.51 C ATOM 0 H ALA A 90 -7.066 10.204 4.909 1.00 43.41 H new ATOM 0 HA ALA A 90 -5.929 9.747 7.598 1.00 24.30 H new ATOM 0 HB1 ALA A 90 -5.230 12.128 7.602 1.00 20.51 H new ATOM 0 HB2 ALA A 90 -4.373 11.210 6.342 1.00 20.51 H new ATOM 0 HB3 ALA A 90 -5.726 12.277 5.899 1.00 20.51 H new ATOM 1315 N GLU A 91 -7.780 11.242 8.616 1.00 61.33 N ATOM 1316 CA GLU A 91 -8.939 11.837 9.285 1.00 63.55 C ATOM 1317 C GLU A 91 -8.945 13.359 9.057 1.00 0.30 C ATOM 1318 O GLU A 91 -9.032 14.166 9.985 1.00 33.33 O ATOM 1319 CB GLU A 91 -8.878 11.459 10.775 1.00 54.41 C ATOM 1320 CG GLU A 91 -9.303 10.005 11.037 1.00 14.10 C ATOM 1321 CD GLU A 91 -10.819 9.802 10.978 1.00 4.44 C ATOM 1322 OE1 GLU A 91 -11.361 9.544 9.875 1.00 61.31 O ATOM 1323 OE2 GLU A 91 -11.477 9.862 12.047 1.00 54.25 O ATOM 0 H GLU A 91 -7.007 11.079 9.261 1.00 61.33 H new ATOM 0 HA GLU A 91 -9.874 11.456 8.874 1.00 63.55 H new ATOM 0 HB2 GLU A 91 -7.862 11.608 11.142 1.00 54.41 H new ATOM 0 HB3 GLU A 91 -9.523 12.130 11.342 1.00 54.41 H new ATOM 0 HG2 GLU A 91 -8.827 9.356 10.302 1.00 14.10 H new ATOM 0 HG3 GLU A 91 -8.939 9.698 12.017 1.00 14.10 H new ATOM 1328 N LYS A 92 -8.784 13.772 7.799 1.00 14.24 N ATOM 1329 CA LYS A 92 -8.674 15.164 7.387 1.00 53.32 C ATOM 1330 C LYS A 92 -9.409 15.324 6.066 1.00 64.31 C ATOM 1331 O LYS A 92 -9.343 14.430 5.219 1.00 63.22 O ATOM 1332 CB LYS A 92 -7.199 15.551 7.214 1.00 51.52 C ATOM 1333 CG LYS A 92 -6.330 15.301 8.457 1.00 62.32 C ATOM 1334 CD LYS A 92 -4.929 15.907 8.305 1.00 2.35 C ATOM 1335 CE LYS A 92 -4.160 15.693 9.610 1.00 63.52 C ATOM 1336 NZ LYS A 92 -2.846 16.359 9.627 1.00 45.43 N ATOM 0 H LYS A 92 -8.725 13.121 7.016 1.00 14.24 H new ATOM 0 HA LYS A 92 -9.110 15.814 8.145 1.00 53.32 H new ATOM 0 HB2 LYS A 92 -6.784 14.990 6.376 1.00 51.52 H new ATOM 0 HB3 LYS A 92 -7.141 16.607 6.951 1.00 51.52 H new ATOM 0 HG2 LYS A 92 -6.818 15.728 9.333 1.00 62.32 H new ATOM 0 HG3 LYS A 92 -6.245 14.228 8.631 1.00 62.32 H new ATOM 0 HD2 LYS A 92 -4.402 15.438 7.474 1.00 2.35 H new ATOM 0 HD3 LYS A 92 -5.000 16.971 8.078 1.00 2.35 H new ATOM 0 HE2 LYS A 92 -4.759 16.064 10.442 1.00 63.52 H new ATOM 0 HE3 LYS A 92 -4.020 14.624 9.770 1.00 63.52 H new ATOM 0 HZ1 LYS A 92 -2.376 16.176 10.536 1.00 45.43 H new ATOM 0 HZ2 LYS A 92 -2.259 15.988 8.853 1.00 45.43 H new ATOM 0 HZ3 LYS A 92 -2.975 17.384 9.504 1.00 45.43 H new ATOM 1346 N ASN A 93 -10.117 16.430 5.869 1.00 21.31 N ATOM 1347 CA ASN A 93 -10.725 16.786 4.597 1.00 2.14 C ATOM 1348 C ASN A 93 -10.870 18.306 4.572 1.00 0.23 C ATOM 1349 O ASN A 93 -11.759 18.854 5.239 1.00 43.21 O ATOM 1350 CB ASN A 93 -12.086 16.084 4.406 1.00 34.42 C ATOM 1351 CG ASN A 93 -12.075 15.071 3.275 1.00 61.13 C ATOM 1352 OD1 ASN A 93 -11.703 15.379 2.148 1.00 40.41 O ATOM 1353 ND2 ASN A 93 -12.516 13.852 3.528 1.00 24.31 N ATOM 0 H ASN A 93 -10.286 17.116 6.604 1.00 21.31 H new ATOM 0 HA ASN A 93 -10.097 16.454 3.771 1.00 2.14 H new ATOM 0 HB2 ASN A 93 -12.364 15.583 5.333 1.00 34.42 H new ATOM 0 HB3 ASN A 93 -12.851 16.834 4.208 1.00 34.42 H new ATOM 0 HD21 ASN A 93 -12.549 13.157 2.782 1.00 24.31 H new ATOM 0 HD22 ASN A 93 -12.823 13.606 4.469 1.00 24.31 H new ATOM 1359 N ARG A 94 -10.005 18.959 3.794 1.00 25.22 N ATOM 1360 CA ARG A 94 -9.744 20.396 3.777 1.00 20.33 C ATOM 1361 C ARG A 94 -9.570 20.888 5.203 1.00 44.31 C ATOM 1362 O ARG A 94 -8.918 20.158 5.981 1.00 52.44 O ATOM 1363 CB ARG A 94 -10.829 21.147 2.981 1.00 52.45 C ATOM 1364 CG ARG A 94 -10.912 20.706 1.514 1.00 11.40 C ATOM 1365 CD ARG A 94 -12.125 21.328 0.819 1.00 35.54 C ATOM 1366 NE ARG A 94 -12.020 22.789 0.693 1.00 22.20 N ATOM 1367 CZ ARG A 94 -13.020 23.648 0.491 1.00 60.22 C ATOM 1368 NH1 ARG A 94 -14.285 23.243 0.534 1.00 52.05 N ATOM 1369 NH2 ARG A 94 -12.754 24.913 0.195 1.00 3.10 N ATOM 0 H ARG A 94 -9.430 18.462 3.113 1.00 25.22 H new ATOM 0 HA ARG A 94 -8.813 20.605 3.251 1.00 20.33 H new ATOM 0 HB2 ARG A 94 -11.796 20.988 3.457 1.00 52.45 H new ATOM 0 HB3 ARG A 94 -10.626 22.217 3.022 1.00 52.45 H new ATOM 0 HG2 ARG A 94 -10.001 20.997 0.991 1.00 11.40 H new ATOM 0 HG3 ARG A 94 -10.976 19.619 1.461 1.00 11.40 H new ATOM 0 HD2 ARG A 94 -12.235 20.889 -0.173 1.00 35.54 H new ATOM 0 HD3 ARG A 94 -13.026 21.080 1.379 1.00 35.54 H new ATOM 0 HE ARG A 94 -11.084 23.188 0.768 1.00 22.20 H new ATOM 0 HH11 ARG A 94 -14.501 22.264 0.723 1.00 52.05 H new ATOM 0 HH12 ARG A 94 -15.040 23.911 0.378 1.00 52.05 H new ATOM 0 HH21 ARG A 94 -11.786 25.227 0.122 1.00 3.10 H new ATOM 0 HH22 ARG A 94 -13.517 25.572 0.040 1.00 3.10 H new TER 1380 ARG A 94