USER MOD reduce.3.24.130724 H: found=0, std=0, add=631, rem=0, adj=9 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= 1.62 K(o=2.7,f=-8.8!) USER MOD Set 1.2: A 69 LYS NZ :NH3+ 148:sc= 1.11 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) 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 -101:sc= 1.05 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.0253 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 60:sc= 0.444 USER MOD Single : A 24 ASN : amide:sc= -1.21! C(o=-1.2!,f=-9.1!) USER MOD Single : A 26 ASN : amide:sc= 0.121 K(o=0.12,f=-3.4!) USER MOD Single : A 28 GLN :FLIP amide:sc= 0 F(o=-0.79,f=0) USER MOD Single : A 38 MET CE :methyl -169:sc= -0.889 (180deg=-1.16) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -0.0476 X(o=-0.048,f=-0.35) USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ -166:sc= 0.726 (180deg=0.554) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.330 15.131 5.850 1.00 53.44 N ATOM 2 CA MET A 1 -5.468 14.313 4.950 1.00 71.44 C ATOM 3 C MET A 1 -6.315 13.502 3.956 1.00 23.23 C ATOM 4 O MET A 1 -7.023 12.576 4.352 1.00 62.33 O ATOM 5 CB MET A 1 -4.592 13.361 5.781 1.00 0.43 C ATOM 6 CG MET A 1 -3.633 12.512 4.952 1.00 4.22 C ATOM 7 SD MET A 1 -2.728 11.317 5.955 1.00 54.43 S ATOM 8 CE MET A 1 -1.673 10.559 4.719 1.00 71.01 C ATOM 0 H1 MET A 1 -5.732 15.668 6.510 1.00 53.44 H new ATOM 0 H2 MET A 1 -6.897 15.792 5.281 1.00 53.44 H new ATOM 0 H3 MET A 1 -6.963 14.505 6.387 1.00 53.44 H new ATOM 0 HA MET A 1 -4.832 14.993 4.384 1.00 71.44 H new ATOM 0 HB2 MET A 1 -4.015 13.947 6.497 1.00 0.43 H new ATOM 0 HB3 MET A 1 -5.239 12.700 6.358 1.00 0.43 H new ATOM 0 HG2 MET A 1 -4.194 11.984 4.181 1.00 4.22 H new ATOM 0 HG3 MET A 1 -2.924 13.164 4.441 1.00 4.22 H new ATOM 0 HE1 MET A 1 -1.052 9.796 5.189 1.00 71.01 H new ATOM 0 HE2 MET A 1 -2.290 10.099 3.947 1.00 71.01 H new ATOM 0 HE3 MET A 1 -1.035 11.320 4.269 1.00 71.01 H new ATOM 20 N ASP A 2 -6.237 13.843 2.666 1.00 54.04 N ATOM 21 CA ASP A 2 -6.982 13.115 1.629 1.00 41.11 C ATOM 22 C ASP A 2 -6.028 12.488 0.596 1.00 13.55 C ATOM 23 O ASP A 2 -5.000 13.070 0.250 1.00 32.34 O ATOM 24 CB ASP A 2 -7.981 14.051 0.937 1.00 34.31 C ATOM 25 CG ASP A 2 -8.925 13.299 0.012 1.00 73.15 C ATOM 26 OD1 ASP A 2 -9.592 12.354 0.485 1.00 23.14 O ATOM 27 OD2 ASP A 2 -9.026 13.658 -1.177 1.00 71.21 O ATOM 0 H ASP A 2 -5.669 14.614 2.314 1.00 54.04 H new ATOM 0 HA ASP A 2 -7.532 12.307 2.111 1.00 41.11 H new ATOM 0 HB2 ASP A 2 -8.561 14.583 1.691 1.00 34.31 H new ATOM 0 HB3 ASP A 2 -7.436 14.802 0.365 1.00 34.31 H new ATOM 32 N VAL A 3 -6.369 11.296 0.111 1.00 53.14 N ATOM 33 CA VAL A 3 -5.517 10.573 -0.841 1.00 32.43 C ATOM 34 C VAL A 3 -6.141 10.522 -2.245 1.00 32.33 C ATOM 35 O VAL A 3 -7.250 10.018 -2.429 1.00 22.53 O ATOM 36 CB VAL A 3 -5.237 9.129 -0.352 1.00 4.22 C ATOM 37 CG1 VAL A 3 -4.369 8.362 -1.353 1.00 32.25 C ATOM 38 CG2 VAL A 3 -4.582 9.154 1.028 1.00 2.23 C ATOM 0 H VAL A 3 -7.229 10.807 0.359 1.00 53.14 H new ATOM 0 HA VAL A 3 -4.578 11.123 -0.900 1.00 32.43 H new ATOM 0 HB VAL A 3 -6.190 8.606 -0.275 1.00 4.22 H new ATOM 0 HG11 VAL A 3 -4.190 7.353 -0.981 1.00 32.25 H new ATOM 0 HG12 VAL A 3 -4.881 8.310 -2.314 1.00 32.25 H new ATOM 0 HG13 VAL A 3 -3.416 8.877 -1.478 1.00 32.25 H new ATOM 0 HG21 VAL A 3 -4.391 8.133 1.359 1.00 2.23 H new ATOM 0 HG22 VAL A 3 -3.640 9.700 0.974 1.00 2.23 H new ATOM 0 HG23 VAL A 3 -5.247 9.647 1.737 1.00 2.23 H new ATOM 48 N GLU A 4 -5.412 11.052 -3.227 1.00 73.53 N ATOM 49 CA GLU A 4 -5.845 11.031 -4.631 1.00 4.10 C ATOM 50 C GLU A 4 -5.052 9.988 -5.444 1.00 42.55 C ATOM 51 O GLU A 4 -3.887 9.708 -5.144 1.00 2.22 O ATOM 52 CB GLU A 4 -5.660 12.419 -5.262 1.00 14.40 C ATOM 53 CG GLU A 4 -6.492 13.519 -4.617 1.00 2.50 C ATOM 54 CD GLU A 4 -6.235 14.878 -5.248 1.00 4.13 C ATOM 55 OE1 GLU A 4 -6.849 15.180 -6.292 1.00 33.51 O ATOM 56 OE2 GLU A 4 -5.402 15.640 -4.714 1.00 32.30 O ATOM 0 H GLU A 4 -4.511 11.506 -3.077 1.00 73.53 H new ATOM 0 HA GLU A 4 -6.900 10.757 -4.651 1.00 4.10 H new ATOM 0 HB2 GLU A 4 -4.607 12.694 -5.202 1.00 14.40 H new ATOM 0 HB3 GLU A 4 -5.915 12.361 -6.320 1.00 14.40 H new ATOM 0 HG2 GLU A 4 -7.550 13.272 -4.707 1.00 2.50 H new ATOM 0 HG3 GLU A 4 -6.266 13.566 -3.552 1.00 2.50 H new ATOM 63 N PRO A 5 -5.667 9.404 -6.491 1.00 13.33 N ATOM 64 CA PRO A 5 -4.989 8.423 -7.358 1.00 0.31 C ATOM 65 C PRO A 5 -3.823 9.044 -8.155 1.00 34.44 C ATOM 66 O PRO A 5 -4.035 9.784 -9.121 1.00 13.32 O ATOM 67 CB PRO A 5 -6.106 7.944 -8.297 1.00 25.32 C ATOM 68 CG PRO A 5 -7.107 9.051 -8.296 1.00 23.33 C ATOM 69 CD PRO A 5 -7.061 9.644 -6.915 1.00 71.03 C ATOM 0 HA PRO A 5 -4.530 7.618 -6.783 1.00 0.31 H new ATOM 0 HB2 PRO A 5 -5.725 7.756 -9.301 1.00 25.32 H new ATOM 0 HB3 PRO A 5 -6.547 7.012 -7.944 1.00 25.32 H new ATOM 0 HG2 PRO A 5 -6.864 9.799 -9.051 1.00 23.33 H new ATOM 0 HG3 PRO A 5 -8.104 8.677 -8.528 1.00 23.33 H new ATOM 0 HD2 PRO A 5 -7.301 10.707 -6.925 1.00 71.03 H new ATOM 0 HD3 PRO A 5 -7.774 9.162 -6.246 1.00 71.03 H new ATOM 77 N GLY A 6 -2.595 8.747 -7.736 1.00 44.42 N ATOM 78 CA GLY A 6 -1.412 9.269 -8.415 1.00 73.42 C ATOM 79 C GLY A 6 -0.517 10.113 -7.509 1.00 63.35 C ATOM 80 O GLY A 6 0.464 10.701 -7.971 1.00 43.02 O ATOM 0 H GLY A 6 -2.394 8.151 -6.933 1.00 44.42 H new ATOM 0 HA2 GLY A 6 -0.832 8.436 -8.812 1.00 73.42 H new ATOM 0 HA3 GLY A 6 -1.727 9.872 -9.266 1.00 73.42 H new ATOM 84 N LYS A 7 -0.847 10.175 -6.219 1.00 61.32 N ATOM 85 CA LYS A 7 -0.070 10.969 -5.257 1.00 33.24 C ATOM 86 C LYS A 7 0.971 10.115 -4.514 1.00 13.12 C ATOM 87 O LYS A 7 0.825 8.896 -4.390 1.00 54.10 O ATOM 88 CB LYS A 7 -1.006 11.643 -4.244 1.00 61.35 C ATOM 89 CG LYS A 7 -2.056 12.554 -4.876 1.00 72.23 C ATOM 90 CD LYS A 7 -1.422 13.695 -5.665 1.00 10.24 C ATOM 91 CE LYS A 7 -2.475 14.647 -6.221 1.00 14.44 C ATOM 92 NZ LYS A 7 -1.870 15.776 -6.976 1.00 45.13 N ATOM 0 H LYS A 7 -1.645 9.687 -5.813 1.00 61.32 H new ATOM 0 HA LYS A 7 0.465 11.731 -5.824 1.00 33.24 H new ATOM 0 HB2 LYS A 7 -1.512 10.871 -3.664 1.00 61.35 H new ATOM 0 HB3 LYS A 7 -0.407 12.227 -3.545 1.00 61.35 H new ATOM 0 HG2 LYS A 7 -2.695 11.967 -5.537 1.00 72.23 H new ATOM 0 HG3 LYS A 7 -2.697 12.965 -4.096 1.00 72.23 H new ATOM 0 HD2 LYS A 7 -0.736 14.246 -5.021 1.00 10.24 H new ATOM 0 HD3 LYS A 7 -0.831 13.287 -6.485 1.00 10.24 H new ATOM 0 HE2 LYS A 7 -3.151 14.096 -6.875 1.00 14.44 H new ATOM 0 HE3 LYS A 7 -3.075 15.041 -5.401 1.00 14.44 H new ATOM 0 HZ1 LYS A 7 -2.623 16.397 -7.335 1.00 45.13 H new ATOM 0 HZ2 LYS A 7 -1.245 16.319 -6.347 1.00 45.13 H new ATOM 0 HZ3 LYS A 7 -1.318 15.403 -7.775 1.00 45.13 H new ATOM 106 N PHE A 8 2.016 10.775 -4.018 1.00 41.10 N ATOM 107 CA PHE A 8 3.115 10.107 -3.302 1.00 21.30 C ATOM 108 C PHE A 8 2.910 10.155 -1.777 1.00 22.51 C ATOM 109 O PHE A 8 2.802 11.234 -1.192 1.00 72.34 O ATOM 110 CB PHE A 8 4.456 10.777 -3.654 1.00 14.10 C ATOM 111 CG PHE A 8 4.933 10.531 -5.068 1.00 11.42 C ATOM 112 CD1 PHE A 8 4.094 10.740 -6.156 1.00 22.00 C ATOM 113 CD2 PHE A 8 6.231 10.101 -5.307 1.00 74.34 C ATOM 114 CE1 PHE A 8 4.538 10.522 -7.444 1.00 1.12 C ATOM 115 CE2 PHE A 8 6.679 9.880 -6.595 1.00 23.24 C ATOM 116 CZ PHE A 8 5.832 10.090 -7.664 1.00 73.43 C ATOM 0 H PHE A 8 2.130 11.785 -4.098 1.00 41.10 H new ATOM 0 HA PHE A 8 3.125 9.063 -3.615 1.00 21.30 H new ATOM 0 HB2 PHE A 8 4.362 11.852 -3.499 1.00 14.10 H new ATOM 0 HB3 PHE A 8 5.218 10.420 -2.961 1.00 14.10 H new ATOM 0 HD1 PHE A 8 3.081 11.077 -5.991 1.00 22.00 H new ATOM 0 HD2 PHE A 8 6.900 9.937 -4.475 1.00 74.34 H new ATOM 0 HE1 PHE A 8 3.875 10.689 -8.280 1.00 1.12 H new ATOM 0 HE2 PHE A 8 7.691 9.543 -6.765 1.00 23.24 H new ATOM 0 HZ PHE A 8 6.180 9.917 -8.672 1.00 73.43 H new ATOM 126 N TYR A 9 2.874 8.989 -1.131 1.00 31.12 N ATOM 127 CA TYR A 9 2.713 8.915 0.330 1.00 51.05 C ATOM 128 C TYR A 9 3.632 7.858 0.962 1.00 72.11 C ATOM 129 O TYR A 9 4.144 6.969 0.284 1.00 52.01 O ATOM 130 CB TYR A 9 1.254 8.605 0.701 1.00 35.13 C ATOM 131 CG TYR A 9 0.288 9.744 0.430 1.00 65.42 C ATOM 132 CD1 TYR A 9 0.238 10.842 1.282 1.00 15.23 C ATOM 133 CD2 TYR A 9 -0.564 9.730 -0.670 1.00 45.23 C ATOM 134 CE1 TYR A 9 -0.631 11.888 1.050 1.00 72.13 C ATOM 135 CE2 TYR A 9 -1.435 10.777 -0.910 1.00 35.22 C ATOM 136 CZ TYR A 9 -1.464 11.852 -0.048 1.00 61.43 C ATOM 137 OH TYR A 9 -2.326 12.899 -0.284 1.00 63.53 O ATOM 0 H TYR A 9 2.954 8.082 -1.591 1.00 31.12 H new ATOM 0 HA TYR A 9 2.994 9.891 0.725 1.00 51.05 H new ATOM 0 HB2 TYR A 9 0.928 7.727 0.144 1.00 35.13 H new ATOM 0 HB3 TYR A 9 1.207 8.347 1.759 1.00 35.13 H new ATOM 0 HD1 TYR A 9 0.892 10.876 2.141 1.00 15.23 H new ATOM 0 HD2 TYR A 9 -0.545 8.889 -1.347 1.00 45.23 H new ATOM 0 HE1 TYR A 9 -0.659 12.731 1.725 1.00 72.13 H new ATOM 0 HE2 TYR A 9 -2.089 10.752 -1.769 1.00 35.22 H new ATOM 0 HH TYR A 9 -3.226 12.656 0.018 1.00 63.53 H new ATOM 147 N LYS A 10 3.839 7.973 2.270 1.00 41.15 N ATOM 148 CA LYS A 10 4.562 6.959 3.044 1.00 22.25 C ATOM 149 C LYS A 10 3.595 6.231 3.986 1.00 31.00 C ATOM 150 O LYS A 10 2.788 6.866 4.668 1.00 61.04 O ATOM 151 CB LYS A 10 5.689 7.604 3.862 1.00 41.43 C ATOM 152 CG LYS A 10 6.514 6.599 4.668 1.00 24.11 C ATOM 153 CD LYS A 10 7.466 7.286 5.646 1.00 23.11 C ATOM 154 CE LYS A 10 8.477 8.184 4.938 1.00 34.14 C ATOM 155 NZ LYS A 10 9.408 8.833 5.902 1.00 24.12 N ATOM 0 H LYS A 10 3.514 8.765 2.824 1.00 41.15 H new ATOM 0 HA LYS A 10 4.999 6.243 2.348 1.00 22.25 H new ATOM 0 HB2 LYS A 10 6.351 8.147 3.187 1.00 41.43 H new ATOM 0 HB3 LYS A 10 5.258 8.337 4.544 1.00 41.43 H new ATOM 0 HG2 LYS A 10 5.843 5.940 5.219 1.00 24.11 H new ATOM 0 HG3 LYS A 10 7.087 5.972 3.985 1.00 24.11 H new ATOM 0 HD2 LYS A 10 6.889 7.881 6.354 1.00 23.11 H new ATOM 0 HD3 LYS A 10 7.997 6.530 6.224 1.00 23.11 H new ATOM 0 HE2 LYS A 10 9.048 7.594 4.221 1.00 34.14 H new ATOM 0 HE3 LYS A 10 7.948 8.950 4.371 1.00 34.14 H new ATOM 0 HZ1 LYS A 10 10.080 9.435 5.384 1.00 24.12 H new ATOM 0 HZ2 LYS A 10 8.865 9.416 6.570 1.00 24.12 H new ATOM 0 HZ3 LYS A 10 9.931 8.102 6.426 1.00 24.12 H new ATOM 169 N GLY A 11 3.679 4.906 4.024 1.00 44.55 N ATOM 170 CA GLY A 11 2.780 4.128 4.870 1.00 4.42 C ATOM 171 C GLY A 11 3.454 2.927 5.523 1.00 42.01 C ATOM 172 O GLY A 11 4.563 2.544 5.148 1.00 65.50 O ATOM 0 H GLY A 11 4.349 4.354 3.488 1.00 44.55 H new ATOM 0 HA2 GLY A 11 2.374 4.775 5.648 1.00 4.42 H new ATOM 0 HA3 GLY A 11 1.938 3.782 4.271 1.00 4.42 H new ATOM 176 N VAL A 12 2.776 2.324 6.495 1.00 3.31 N ATOM 177 CA VAL A 12 3.321 1.172 7.221 1.00 71.33 C ATOM 178 C VAL A 12 2.515 -0.112 6.953 1.00 3.34 C ATOM 179 O VAL A 12 1.280 -0.099 6.946 1.00 54.32 O ATOM 180 CB VAL A 12 3.365 1.447 8.745 1.00 61.12 C ATOM 181 CG1 VAL A 12 1.974 1.769 9.288 1.00 64.45 C ATOM 182 CG2 VAL A 12 3.986 0.266 9.487 1.00 63.55 C ATOM 0 H VAL A 12 1.847 2.611 6.801 1.00 3.31 H new ATOM 0 HA VAL A 12 4.336 1.021 6.853 1.00 71.33 H new ATOM 0 HB VAL A 12 3.994 2.321 8.913 1.00 61.12 H new ATOM 0 HG11 VAL A 12 2.036 1.957 10.360 1.00 64.45 H new ATOM 0 HG12 VAL A 12 1.583 2.654 8.786 1.00 64.45 H new ATOM 0 HG13 VAL A 12 1.308 0.925 9.106 1.00 64.45 H new ATOM 0 HG21 VAL A 12 4.008 0.479 10.556 1.00 63.55 H new ATOM 0 HG22 VAL A 12 3.392 -0.630 9.307 1.00 63.55 H new ATOM 0 HG23 VAL A 12 5.003 0.105 9.128 1.00 63.55 H new ATOM 192 N VAL A 13 3.227 -1.215 6.720 1.00 51.34 N ATOM 193 CA VAL A 13 2.600 -2.526 6.513 1.00 31.12 C ATOM 194 C VAL A 13 2.046 -3.098 7.832 1.00 22.35 C ATOM 195 O VAL A 13 2.767 -3.192 8.830 1.00 65.33 O ATOM 196 CB VAL A 13 3.609 -3.537 5.910 1.00 50.24 C ATOM 197 CG1 VAL A 13 2.955 -4.901 5.703 1.00 30.34 C ATOM 198 CG2 VAL A 13 4.185 -3.009 4.596 1.00 2.23 C ATOM 0 H VAL A 13 4.246 -1.229 6.669 1.00 51.34 H new ATOM 0 HA VAL A 13 1.776 -2.377 5.815 1.00 31.12 H new ATOM 0 HB VAL A 13 4.429 -3.659 6.618 1.00 50.24 H new ATOM 0 HG11 VAL A 13 3.683 -5.593 5.279 1.00 30.34 H new ATOM 0 HG12 VAL A 13 2.604 -5.285 6.661 1.00 30.34 H new ATOM 0 HG13 VAL A 13 2.111 -4.800 5.021 1.00 30.34 H new ATOM 0 HG21 VAL A 13 4.890 -3.734 4.191 1.00 2.23 H new ATOM 0 HG22 VAL A 13 3.377 -2.851 3.882 1.00 2.23 H new ATOM 0 HG23 VAL A 13 4.699 -2.065 4.777 1.00 2.23 H new ATOM 208 N THR A 14 0.766 -3.478 7.834 1.00 12.45 N ATOM 209 CA THR A 14 0.117 -4.025 9.039 1.00 25.23 C ATOM 210 C THR A 14 -0.069 -5.548 8.963 1.00 64.33 C ATOM 211 O THR A 14 0.082 -6.251 9.966 1.00 44.45 O ATOM 212 CB THR A 14 -1.266 -3.379 9.275 1.00 23.12 C ATOM 213 OG1 THR A 14 -2.149 -3.683 8.185 1.00 63.21 O ATOM 214 CG2 THR A 14 -1.142 -1.870 9.426 1.00 3.43 C ATOM 0 H THR A 14 0.155 -3.419 7.019 1.00 12.45 H new ATOM 0 HA THR A 14 0.785 -3.791 9.868 1.00 25.23 H new ATOM 0 HB THR A 14 -1.676 -3.789 10.198 1.00 23.12 H new ATOM 0 HG1 THR A 14 -3.023 -3.270 8.347 1.00 63.21 H new ATOM 0 HG21 THR A 14 -2.129 -1.439 9.591 1.00 3.43 H new ATOM 0 HG22 THR A 14 -0.499 -1.641 10.276 1.00 3.43 H new ATOM 0 HG23 THR A 14 -0.709 -1.448 8.519 1.00 3.43 H new ATOM 222 N ARG A 15 -0.408 -6.054 7.779 1.00 53.54 N ATOM 223 CA ARG A 15 -0.633 -7.495 7.581 1.00 3.32 C ATOM 224 C ARG A 15 -0.239 -7.946 6.166 1.00 72.44 C ATOM 225 O ARG A 15 -0.429 -7.216 5.189 1.00 51.43 O ATOM 226 CB ARG A 15 -2.104 -7.848 7.858 1.00 33.45 C ATOM 227 CG ARG A 15 -3.097 -6.967 7.110 1.00 71.41 C ATOM 228 CD ARG A 15 -4.540 -7.384 7.363 1.00 74.14 C ATOM 229 NE ARG A 15 -4.863 -8.670 6.746 1.00 44.21 N ATOM 230 CZ ARG A 15 -5.987 -9.312 6.924 1.00 21.04 C ATOM 231 NH1 ARG A 15 -6.893 -8.859 7.730 1.00 61.15 N ATOM 232 NH2 ARG A 15 -6.199 -10.418 6.294 1.00 71.33 N ATOM 0 H ARG A 15 -0.534 -5.491 6.938 1.00 53.54 H new ATOM 0 HA ARG A 15 0.005 -8.026 8.288 1.00 3.32 H new ATOM 0 HB2 ARG A 15 -2.277 -8.889 7.583 1.00 33.45 H new ATOM 0 HB3 ARG A 15 -2.293 -7.765 8.928 1.00 33.45 H new ATOM 0 HG2 ARG A 15 -2.962 -5.929 7.415 1.00 71.41 H new ATOM 0 HG3 ARG A 15 -2.889 -7.014 6.041 1.00 71.41 H new ATOM 0 HD2 ARG A 15 -4.715 -7.445 8.437 1.00 74.14 H new ATOM 0 HD3 ARG A 15 -5.211 -6.618 6.974 1.00 74.14 H new ATOM 0 HE ARG A 15 -4.164 -9.094 6.136 1.00 44.21 H new ATOM 0 HH11 ARG A 15 -6.735 -7.988 8.238 1.00 61.15 H new ATOM 0 HH12 ARG A 15 -7.765 -9.373 7.858 1.00 61.15 H new ATOM 0 HH21 ARG A 15 -5.491 -10.788 5.660 1.00 71.33 H new ATOM 0 HH22 ARG A 15 -7.075 -10.923 6.430 1.00 71.33 H new ATOM 246 N ILE A 16 0.302 -9.162 6.066 1.00 1.44 N ATOM 247 CA ILE A 16 0.759 -9.715 4.784 1.00 74.13 C ATOM 248 C ILE A 16 -0.231 -10.756 4.235 1.00 31.11 C ATOM 249 O ILE A 16 -0.491 -11.781 4.871 1.00 63.41 O ATOM 250 CB ILE A 16 2.156 -10.377 4.919 1.00 11.43 C ATOM 251 CG1 ILE A 16 3.177 -9.383 5.498 1.00 54.31 C ATOM 252 CG2 ILE A 16 2.637 -10.907 3.567 1.00 13.42 C ATOM 253 CD1 ILE A 16 3.418 -8.172 4.624 1.00 31.25 C ATOM 0 H ILE A 16 0.436 -9.787 6.861 1.00 1.44 H new ATOM 0 HA ILE A 16 0.822 -8.877 4.090 1.00 74.13 H new ATOM 0 HB ILE A 16 2.066 -11.218 5.607 1.00 11.43 H new ATOM 0 HG12 ILE A 16 2.830 -9.050 6.476 1.00 54.31 H new ATOM 0 HG13 ILE A 16 4.124 -9.900 5.655 1.00 54.31 H new ATOM 0 HG21 ILE A 16 3.618 -11.367 3.685 1.00 13.42 H new ATOM 0 HG22 ILE A 16 1.931 -11.649 3.195 1.00 13.42 H new ATOM 0 HG23 ILE A 16 2.705 -10.083 2.857 1.00 13.42 H new ATOM 0 HD11 ILE A 16 4.149 -7.519 5.100 1.00 31.25 H new ATOM 0 HD12 ILE A 16 3.796 -8.493 3.653 1.00 31.25 H new ATOM 0 HD13 ILE A 16 2.482 -7.630 4.488 1.00 31.25 H new ATOM 265 N GLU A 17 -0.765 -10.490 3.048 1.00 42.25 N ATOM 266 CA GLU A 17 -1.703 -11.403 2.386 1.00 73.12 C ATOM 267 C GLU A 17 -0.989 -12.246 1.317 1.00 62.51 C ATOM 268 O GLU A 17 0.201 -12.062 1.053 1.00 31.33 O ATOM 269 CB GLU A 17 -2.839 -10.601 1.731 1.00 35.24 C ATOM 270 CG GLU A 17 -3.553 -9.639 2.673 1.00 40.35 C ATOM 271 CD GLU A 17 -4.299 -10.345 3.790 1.00 24.54 C ATOM 272 OE1 GLU A 17 -5.467 -10.730 3.579 1.00 14.23 O ATOM 273 OE2 GLU A 17 -3.725 -10.521 4.887 1.00 21.41 O ATOM 0 H GLU A 17 -0.565 -9.643 2.517 1.00 42.25 H new ATOM 0 HA GLU A 17 -2.114 -12.074 3.141 1.00 73.12 H new ATOM 0 HB2 GLU A 17 -2.432 -10.035 0.893 1.00 35.24 H new ATOM 0 HB3 GLU A 17 -3.570 -11.298 1.320 1.00 35.24 H new ATOM 0 HG2 GLU A 17 -2.823 -8.956 3.107 1.00 40.35 H new ATOM 0 HG3 GLU A 17 -4.256 -9.034 2.101 1.00 40.35 H new ATOM 280 N LYS A 18 -1.720 -13.171 0.699 1.00 33.03 N ATOM 281 CA LYS A 18 -1.178 -13.970 -0.412 1.00 74.45 C ATOM 282 C LYS A 18 -1.273 -13.212 -1.748 1.00 12.52 C ATOM 283 O LYS A 18 -0.701 -13.623 -2.759 1.00 24.31 O ATOM 284 CB LYS A 18 -1.928 -15.304 -0.526 1.00 65.52 C ATOM 285 CG LYS A 18 -1.857 -16.168 0.730 1.00 20.43 C ATOM 286 CD LYS A 18 -2.527 -17.525 0.513 1.00 25.31 C ATOM 287 CE LYS A 18 -2.466 -18.403 1.757 1.00 40.32 C ATOM 288 NZ LYS A 18 -3.075 -19.738 1.520 1.00 25.23 N ATOM 0 H LYS A 18 -2.686 -13.390 0.943 1.00 33.03 H new ATOM 0 HA LYS A 18 -0.126 -14.160 -0.197 1.00 74.45 H new ATOM 0 HB2 LYS A 18 -2.974 -15.102 -0.756 1.00 65.52 H new ATOM 0 HB3 LYS A 18 -1.520 -15.867 -1.365 1.00 65.52 H new ATOM 0 HG2 LYS A 18 -0.815 -16.316 1.013 1.00 20.43 H new ATOM 0 HG3 LYS A 18 -2.341 -15.650 1.558 1.00 20.43 H new ATOM 0 HD2 LYS A 18 -3.568 -17.373 0.229 1.00 25.31 H new ATOM 0 HD3 LYS A 18 -2.042 -18.039 -0.317 1.00 25.31 H new ATOM 0 HE2 LYS A 18 -1.428 -18.526 2.064 1.00 40.32 H new ATOM 0 HE3 LYS A 18 -2.985 -17.907 2.578 1.00 40.32 H new ATOM 0 HZ1 LYS A 18 -3.015 -20.306 2.389 1.00 25.23 H new ATOM 0 HZ2 LYS A 18 -4.073 -19.622 1.251 1.00 25.23 H new ATOM 0 HZ3 LYS A 18 -2.564 -20.221 0.754 1.00 25.23 H new ATOM 302 N TYR A 19 -2.007 -12.102 -1.742 1.00 73.14 N ATOM 303 CA TYR A 19 -2.234 -11.301 -2.955 1.00 11.03 C ATOM 304 C TYR A 19 -1.707 -9.863 -2.798 1.00 64.41 C ATOM 305 O TYR A 19 -1.945 -9.008 -3.653 1.00 24.14 O ATOM 306 CB TYR A 19 -3.736 -11.284 -3.287 1.00 32.23 C ATOM 307 CG TYR A 19 -4.620 -10.903 -2.107 1.00 54.13 C ATOM 308 CD1 TYR A 19 -5.056 -11.866 -1.202 1.00 74.44 C ATOM 309 CD2 TYR A 19 -5.009 -9.582 -1.893 1.00 22.04 C ATOM 310 CE1 TYR A 19 -5.849 -11.526 -0.123 1.00 1.21 C ATOM 311 CE2 TYR A 19 -5.805 -9.237 -0.815 1.00 45.14 C ATOM 312 CZ TYR A 19 -6.220 -10.212 0.067 1.00 20.22 C ATOM 313 OH TYR A 19 -7.007 -9.874 1.144 1.00 54.14 O ATOM 0 H TYR A 19 -2.460 -11.730 -0.907 1.00 73.14 H new ATOM 0 HA TYR A 19 -1.681 -11.762 -3.773 1.00 11.03 H new ATOM 0 HB2 TYR A 19 -3.911 -10.582 -4.102 1.00 32.23 H new ATOM 0 HB3 TYR A 19 -4.031 -12.270 -3.647 1.00 32.23 H new ATOM 0 HD1 TYR A 19 -4.769 -12.897 -1.346 1.00 74.44 H new ATOM 0 HD2 TYR A 19 -4.684 -8.815 -2.580 1.00 22.04 H new ATOM 0 HE1 TYR A 19 -6.177 -12.287 0.569 1.00 1.21 H new ATOM 0 HE2 TYR A 19 -6.100 -8.209 -0.665 1.00 45.14 H new ATOM 0 HH TYR A 19 -6.547 -10.117 1.974 1.00 54.14 H new ATOM 323 N GLY A 20 -0.984 -9.607 -1.710 1.00 12.12 N ATOM 324 CA GLY A 20 -0.474 -8.266 -1.439 1.00 44.41 C ATOM 325 C GLY A 20 -0.294 -7.994 0.051 1.00 33.12 C ATOM 326 O GLY A 20 -0.348 -8.912 0.863 1.00 44.15 O ATOM 0 H GLY A 20 -0.740 -10.305 -1.007 1.00 12.12 H new ATOM 0 HA2 GLY A 20 0.482 -8.136 -1.946 1.00 44.41 H new ATOM 0 HA3 GLY A 20 -1.160 -7.530 -1.858 1.00 44.41 H new ATOM 330 N ALA A 21 -0.069 -6.734 0.412 1.00 41.51 N ATOM 331 CA ALA A 21 0.073 -6.344 1.822 1.00 12.23 C ATOM 332 C ALA A 21 -0.731 -5.073 2.136 1.00 14.43 C ATOM 333 O ALA A 21 -0.659 -4.090 1.401 1.00 61.14 O ATOM 334 CB ALA A 21 1.546 -6.136 2.159 1.00 42.44 C ATOM 0 H ALA A 21 0.020 -5.961 -0.248 1.00 41.51 H new ATOM 0 HA ALA A 21 -0.326 -7.150 2.438 1.00 12.23 H new ATOM 0 HB1 ALA A 21 1.643 -5.847 3.206 1.00 42.44 H new ATOM 0 HB2 ALA A 21 2.093 -7.063 1.986 1.00 42.44 H new ATOM 0 HB3 ALA A 21 1.956 -5.349 1.526 1.00 42.44 H new ATOM 340 N PHE A 22 -1.498 -5.094 3.228 1.00 14.14 N ATOM 341 CA PHE A 22 -2.278 -3.918 3.639 1.00 74.31 C ATOM 342 C PHE A 22 -1.389 -2.867 4.321 1.00 72.00 C ATOM 343 O PHE A 22 -0.638 -3.175 5.249 1.00 70.35 O ATOM 344 CB PHE A 22 -3.433 -4.320 4.568 1.00 25.01 C ATOM 345 CG PHE A 22 -4.585 -4.988 3.851 1.00 31.12 C ATOM 346 CD1 PHE A 22 -5.579 -4.225 3.254 1.00 3.11 C ATOM 347 CD2 PHE A 22 -4.677 -6.373 3.778 1.00 44.11 C ATOM 348 CE1 PHE A 22 -6.636 -4.826 2.598 1.00 74.43 C ATOM 349 CE2 PHE A 22 -5.735 -6.978 3.123 1.00 0.45 C ATOM 350 CZ PHE A 22 -6.715 -6.203 2.533 1.00 32.22 C ATOM 0 H PHE A 22 -1.598 -5.903 3.841 1.00 14.14 H new ATOM 0 HA PHE A 22 -2.697 -3.475 2.736 1.00 74.31 H new ATOM 0 HB2 PHE A 22 -3.053 -4.995 5.335 1.00 25.01 H new ATOM 0 HB3 PHE A 22 -3.802 -3.431 5.080 1.00 25.01 H new ATOM 0 HD1 PHE A 22 -5.525 -3.147 3.303 1.00 3.11 H new ATOM 0 HD2 PHE A 22 -3.914 -6.984 4.238 1.00 44.11 H new ATOM 0 HE1 PHE A 22 -7.400 -4.219 2.136 1.00 74.43 H new ATOM 0 HE2 PHE A 22 -5.795 -8.055 3.073 1.00 0.45 H new ATOM 0 HZ PHE A 22 -7.542 -6.674 2.022 1.00 32.22 H new ATOM 360 N ILE A 23 -1.487 -1.626 3.850 1.00 54.31 N ATOM 361 CA ILE A 23 -0.656 -0.526 4.352 1.00 60.33 C ATOM 362 C ILE A 23 -1.512 0.650 4.848 1.00 0.42 C ATOM 363 O ILE A 23 -2.438 1.091 4.165 1.00 24.10 O ATOM 364 CB ILE A 23 0.306 -0.016 3.245 1.00 65.52 C ATOM 365 CG1 ILE A 23 1.312 -1.112 2.856 1.00 33.35 C ATOM 366 CG2 ILE A 23 1.034 1.251 3.689 1.00 53.02 C ATOM 367 CD1 ILE A 23 2.297 -0.687 1.786 1.00 25.31 C ATOM 0 H ILE A 23 -2.139 -1.352 3.115 1.00 54.31 H new ATOM 0 HA ILE A 23 -0.080 -0.919 5.189 1.00 60.33 H new ATOM 0 HB ILE A 23 -0.292 0.231 2.368 1.00 65.52 H new ATOM 0 HG12 ILE A 23 1.865 -1.417 3.745 1.00 33.35 H new ATOM 0 HG13 ILE A 23 0.764 -1.987 2.506 1.00 33.35 H new ATOM 0 HG21 ILE A 23 1.701 1.585 2.894 1.00 53.02 H new ATOM 0 HG22 ILE A 23 0.306 2.033 3.904 1.00 53.02 H new ATOM 0 HG23 ILE A 23 1.616 1.041 4.586 1.00 53.02 H new ATOM 0 HD11 ILE A 23 2.973 -1.513 1.565 1.00 25.31 H new ATOM 0 HD12 ILE A 23 1.755 -0.410 0.882 1.00 25.31 H new ATOM 0 HD13 ILE A 23 2.872 0.168 2.140 1.00 25.31 H new ATOM 379 N ASN A 24 -1.195 1.157 6.038 1.00 73.21 N ATOM 380 CA ASN A 24 -1.851 2.359 6.567 1.00 51.22 C ATOM 381 C ASN A 24 -0.992 3.605 6.317 1.00 65.41 C ATOM 382 O ASN A 24 0.152 3.679 6.768 1.00 41.15 O ATOM 383 CB ASN A 24 -2.117 2.239 8.075 1.00 12.33 C ATOM 384 CG ASN A 24 -3.070 1.115 8.433 1.00 13.53 C ATOM 385 OD1 ASN A 24 -3.886 0.688 7.630 1.00 44.04 O ATOM 386 ND2 ASN A 24 -3.001 0.658 9.665 1.00 24.43 N ATOM 0 H ASN A 24 -0.489 0.757 6.656 1.00 73.21 H new ATOM 0 HA ASN A 24 -2.802 2.456 6.044 1.00 51.22 H new ATOM 0 HB2 ASN A 24 -1.170 2.081 8.592 1.00 12.33 H new ATOM 0 HB3 ASN A 24 -2.525 3.181 8.440 1.00 12.33 H new ATOM 0 HD21 ASN A 24 -3.641 -0.074 9.974 1.00 24.43 H new ATOM 0 HD22 ASN A 24 -2.308 1.036 10.311 1.00 24.43 H new ATOM 393 N LEU A 25 -1.542 4.574 5.588 1.00 33.25 N ATOM 394 CA LEU A 25 -0.896 5.883 5.433 1.00 41.23 C ATOM 395 C LEU A 25 -1.162 6.739 6.680 1.00 71.24 C ATOM 396 O LEU A 25 -0.365 7.599 7.059 1.00 40.23 O ATOM 397 CB LEU A 25 -1.424 6.603 4.183 1.00 62.21 C ATOM 398 CG LEU A 25 -1.276 5.834 2.860 1.00 52.25 C ATOM 399 CD1 LEU A 25 -1.851 6.645 1.700 1.00 24.44 C ATOM 400 CD2 LEU A 25 0.188 5.475 2.601 1.00 64.12 C ATOM 0 H LEU A 25 -2.430 4.482 5.095 1.00 33.25 H new ATOM 0 HA LEU A 25 0.177 5.732 5.317 1.00 41.23 H new ATOM 0 HB2 LEU A 25 -2.479 6.829 4.335 1.00 62.21 H new ATOM 0 HB3 LEU A 25 -0.904 7.556 4.088 1.00 62.21 H new ATOM 0 HG LEU A 25 -1.841 4.905 2.939 1.00 52.25 H new ATOM 0 HD11 LEU A 25 -1.737 6.084 0.772 1.00 24.44 H new ATOM 0 HD12 LEU A 25 -2.909 6.838 1.880 1.00 24.44 H new ATOM 0 HD13 LEU A 25 -1.318 7.592 1.619 1.00 24.44 H new ATOM 0 HD21 LEU A 25 0.268 4.931 1.660 1.00 64.12 H new ATOM 0 HD22 LEU A 25 0.782 6.387 2.545 1.00 64.12 H new ATOM 0 HD23 LEU A 25 0.559 4.850 3.414 1.00 64.12 H new ATOM 412 N ASN A 26 -2.304 6.470 7.304 1.00 63.35 N ATOM 413 CA ASN A 26 -2.735 7.152 8.525 1.00 31.03 C ATOM 414 C ASN A 26 -3.802 6.295 9.229 1.00 4.14 C ATOM 415 O ASN A 26 -4.371 5.394 8.615 1.00 33.13 O ATOM 416 CB ASN A 26 -3.294 8.544 8.180 1.00 32.11 C ATOM 417 CG ASN A 26 -3.695 9.347 9.407 1.00 11.41 C ATOM 418 OD1 ASN A 26 -3.142 9.176 10.487 1.00 35.30 O ATOM 419 ND2 ASN A 26 -4.668 10.220 9.254 1.00 3.31 N ATOM 0 H ASN A 26 -2.965 5.766 6.975 1.00 63.35 H new ATOM 0 HA ASN A 26 -1.885 7.284 9.195 1.00 31.03 H new ATOM 0 HB2 ASN A 26 -2.544 9.101 7.618 1.00 32.11 H new ATOM 0 HB3 ASN A 26 -4.161 8.430 7.529 1.00 32.11 H new ATOM 0 HD21 ASN A 26 -4.982 10.778 10.048 1.00 3.31 H new ATOM 0 HD22 ASN A 26 -5.108 10.339 8.341 1.00 3.31 H new ATOM 426 N GLU A 27 -4.078 6.578 10.502 1.00 1.30 N ATOM 427 CA GLU A 27 -5.077 5.812 11.270 1.00 53.50 C ATOM 428 C GLU A 27 -6.418 5.675 10.516 1.00 65.14 C ATOM 429 O GLU A 27 -7.123 4.677 10.662 1.00 34.23 O ATOM 430 CB GLU A 27 -5.314 6.479 12.632 1.00 35.43 C ATOM 431 CG GLU A 27 -6.328 5.750 13.514 1.00 75.24 C ATOM 432 CD GLU A 27 -6.566 6.449 14.843 1.00 35.54 C ATOM 433 OE1 GLU A 27 -5.847 6.147 15.823 1.00 41.14 O ATOM 434 OE2 GLU A 27 -7.474 7.306 14.918 1.00 54.24 O ATOM 0 H GLU A 27 -3.629 7.328 11.028 1.00 1.30 H new ATOM 0 HA GLU A 27 -4.677 4.808 11.411 1.00 53.50 H new ATOM 0 HB2 GLU A 27 -4.365 6.542 13.164 1.00 35.43 H new ATOM 0 HB3 GLU A 27 -5.657 7.501 12.470 1.00 35.43 H new ATOM 0 HG2 GLU A 27 -7.274 5.666 12.979 1.00 75.24 H new ATOM 0 HG3 GLU A 27 -5.976 4.735 13.701 1.00 75.24 H new ATOM 441 N GLN A 28 -6.760 6.684 9.715 1.00 24.01 N ATOM 442 CA GLN A 28 -8.035 6.709 8.977 1.00 23.14 C ATOM 443 C GLN A 28 -7.869 6.311 7.493 1.00 4.33 C ATOM 444 O GLN A 28 -8.852 6.200 6.759 1.00 63.23 O ATOM 445 CB GLN A 28 -8.651 8.113 9.074 1.00 2.33 C ATOM 446 CG GLN A 28 -8.872 8.588 10.510 1.00 44.21 C ATOM 447 CD GLN A 28 -9.933 7.783 11.245 1.00 61.20 C ATOM 448 OE1 GLN A 28 -9.534 6.699 11.881 1.00 63.15 O flip ATOM 449 NE2 GLN A 28 -11.109 8.132 11.234 1.00 50.12 N flip ATOM 0 H GLN A 28 -6.172 7.502 9.556 1.00 24.01 H new ATOM 0 HA GLN A 28 -8.695 5.971 9.434 1.00 23.14 H new ATOM 0 HB2 GLN A 28 -8.000 8.822 8.562 1.00 2.33 H new ATOM 0 HB3 GLN A 28 -9.605 8.119 8.548 1.00 2.33 H new ATOM 0 HG2 GLN A 28 -7.931 8.524 11.057 1.00 44.21 H new ATOM 0 HG3 GLN A 28 -9.163 9.638 10.499 1.00 44.21 H new ATOM 0 HE21 GLN A 28 -11.386 8.976 10.733 1.00 50.12 H new ATOM 0 HE22 GLN A 28 -11.810 7.578 11.726 1.00 50.12 H new ATOM 458 N VAL A 29 -6.628 6.086 7.055 1.00 54.03 N ATOM 459 CA VAL A 29 -6.340 5.804 5.635 1.00 11.33 C ATOM 460 C VAL A 29 -5.562 4.485 5.451 1.00 11.11 C ATOM 461 O VAL A 29 -4.425 4.351 5.915 1.00 53.14 O ATOM 462 CB VAL A 29 -5.530 6.960 4.992 1.00 54.05 C ATOM 463 CG1 VAL A 29 -5.269 6.681 3.513 1.00 11.31 C ATOM 464 CG2 VAL A 29 -6.249 8.299 5.173 1.00 63.44 C ATOM 0 H VAL A 29 -5.804 6.092 7.657 1.00 54.03 H new ATOM 0 HA VAL A 29 -7.305 5.710 5.138 1.00 11.33 H new ATOM 0 HB VAL A 29 -4.569 7.022 5.502 1.00 54.05 H new ATOM 0 HG11 VAL A 29 -4.700 7.505 3.082 1.00 11.31 H new ATOM 0 HG12 VAL A 29 -4.702 5.756 3.412 1.00 11.31 H new ATOM 0 HG13 VAL A 29 -6.219 6.583 2.988 1.00 11.31 H new ATOM 0 HG21 VAL A 29 -5.660 9.093 4.713 1.00 63.44 H new ATOM 0 HG22 VAL A 29 -7.229 8.253 4.698 1.00 63.44 H new ATOM 0 HG23 VAL A 29 -6.370 8.506 6.236 1.00 63.44 H new ATOM 474 N ARG A 30 -6.173 3.528 4.746 1.00 70.31 N ATOM 475 CA ARG A 30 -5.557 2.212 4.498 1.00 53.23 C ATOM 476 C ARG A 30 -5.708 1.782 3.028 1.00 70.34 C ATOM 477 O ARG A 30 -6.651 2.182 2.346 1.00 33.02 O ATOM 478 CB ARG A 30 -6.197 1.156 5.413 1.00 63.41 C ATOM 479 CG ARG A 30 -5.644 -0.256 5.218 1.00 13.43 C ATOM 480 CD ARG A 30 -6.286 -1.256 6.175 1.00 5.14 C ATOM 481 NE ARG A 30 -6.095 -0.872 7.573 1.00 74.43 N ATOM 482 CZ ARG A 30 -6.487 -1.585 8.593 1.00 35.34 C ATOM 483 NH1 ARG A 30 -7.071 -2.727 8.421 1.00 14.01 N ATOM 484 NH2 ARG A 30 -6.288 -1.151 9.795 1.00 13.13 N ATOM 0 H ARG A 30 -7.099 3.637 4.333 1.00 70.31 H new ATOM 0 HA ARG A 30 -4.492 2.296 4.717 1.00 53.23 H new ATOM 0 HB2 ARG A 30 -6.049 1.453 6.451 1.00 63.41 H new ATOM 0 HB3 ARG A 30 -7.272 1.141 5.236 1.00 63.41 H new ATOM 0 HG2 ARG A 30 -5.817 -0.575 4.190 1.00 13.43 H new ATOM 0 HG3 ARG A 30 -4.565 -0.248 5.372 1.00 13.43 H new ATOM 0 HD2 ARG A 30 -7.352 -1.330 5.961 1.00 5.14 H new ATOM 0 HD3 ARG A 30 -5.858 -2.244 6.008 1.00 5.14 H new ATOM 0 HE ARG A 30 -5.624 0.012 7.764 1.00 74.43 H new ATOM 0 HH11 ARG A 30 -7.231 -3.081 7.478 1.00 14.01 H new ATOM 0 HH12 ARG A 30 -7.372 -3.273 9.229 1.00 14.01 H new ATOM 0 HH21 ARG A 30 -5.826 -0.254 9.943 1.00 13.13 H new ATOM 0 HH22 ARG A 30 -6.593 -1.706 10.595 1.00 13.13 H new ATOM 498 N GLY A 31 -4.773 0.960 2.549 1.00 12.43 N ATOM 499 CA GLY A 31 -4.850 0.442 1.185 1.00 10.02 C ATOM 500 C GLY A 31 -4.152 -0.908 1.012 1.00 11.03 C ATOM 501 O GLY A 31 -3.783 -1.556 1.994 1.00 15.50 O ATOM 0 H GLY A 31 -3.962 0.642 3.080 1.00 12.43 H new ATOM 0 HA2 GLY A 31 -5.897 0.341 0.900 1.00 10.02 H new ATOM 0 HA3 GLY A 31 -4.402 1.165 0.503 1.00 10.02 H new ATOM 505 N LEU A 32 -3.957 -1.323 -0.239 1.00 33.01 N ATOM 506 CA LEU A 32 -3.359 -2.628 -0.553 1.00 43.30 C ATOM 507 C LEU A 32 -2.191 -2.492 -1.550 1.00 73.23 C ATOM 508 O LEU A 32 -2.353 -1.957 -2.648 1.00 53.44 O ATOM 509 CB LEU A 32 -4.430 -3.566 -1.132 1.00 13.10 C ATOM 510 CG LEU A 32 -3.956 -4.992 -1.472 1.00 2.42 C ATOM 511 CD1 LEU A 32 -3.498 -5.730 -0.216 1.00 10.23 C ATOM 512 CD2 LEU A 32 -5.062 -5.771 -2.186 1.00 73.14 C ATOM 0 H LEU A 32 -4.206 -0.772 -1.060 1.00 33.01 H new ATOM 0 HA LEU A 32 -2.963 -3.046 0.372 1.00 43.30 H new ATOM 0 HB2 LEU A 32 -5.250 -3.636 -0.417 1.00 13.10 H new ATOM 0 HB3 LEU A 32 -4.834 -3.112 -2.037 1.00 13.10 H new ATOM 0 HG LEU A 32 -3.102 -4.914 -2.145 1.00 2.42 H new ATOM 0 HD11 LEU A 32 -3.169 -6.734 -0.484 1.00 10.23 H new ATOM 0 HD12 LEU A 32 -2.672 -5.188 0.244 1.00 10.23 H new ATOM 0 HD13 LEU A 32 -4.326 -5.796 0.490 1.00 10.23 H new ATOM 0 HD21 LEU A 32 -4.708 -6.776 -2.418 1.00 73.14 H new ATOM 0 HD22 LEU A 32 -5.937 -5.835 -1.540 1.00 73.14 H new ATOM 0 HD23 LEU A 32 -5.330 -5.258 -3.110 1.00 73.14 H new ATOM 524 N LEU A 33 -1.021 -2.982 -1.153 1.00 32.42 N ATOM 525 CA LEU A 33 0.171 -2.972 -2.010 1.00 21.43 C ATOM 526 C LEU A 33 0.301 -4.302 -2.773 1.00 34.15 C ATOM 527 O LEU A 33 0.333 -5.374 -2.164 1.00 74.15 O ATOM 528 CB LEU A 33 1.418 -2.726 -1.149 1.00 34.14 C ATOM 529 CG LEU A 33 2.761 -2.691 -1.896 1.00 5.43 C ATOM 530 CD1 LEU A 33 2.755 -1.626 -2.990 1.00 70.02 C ATOM 531 CD2 LEU A 33 3.908 -2.450 -0.916 1.00 34.03 C ATOM 0 H LEU A 33 -0.867 -3.396 -0.234 1.00 32.42 H new ATOM 0 HA LEU A 33 0.075 -2.170 -2.742 1.00 21.43 H new ATOM 0 HB2 LEU A 33 1.292 -1.778 -0.626 1.00 34.14 H new ATOM 0 HB3 LEU A 33 1.469 -3.505 -0.389 1.00 34.14 H new ATOM 0 HG LEU A 33 2.909 -3.659 -2.374 1.00 5.43 H new ATOM 0 HD11 LEU A 33 3.718 -1.624 -3.501 1.00 70.02 H new ATOM 0 HD12 LEU A 33 1.964 -1.845 -3.707 1.00 70.02 H new ATOM 0 HD13 LEU A 33 2.579 -0.647 -2.544 1.00 70.02 H new ATOM 0 HD21 LEU A 33 4.852 -2.428 -1.460 1.00 34.03 H new ATOM 0 HD22 LEU A 33 3.759 -1.497 -0.409 1.00 34.03 H new ATOM 0 HD23 LEU A 33 3.932 -3.253 -0.180 1.00 34.03 H new ATOM 543 N ARG A 34 0.376 -4.229 -4.102 1.00 32.13 N ATOM 544 CA ARG A 34 0.390 -5.433 -4.948 1.00 12.43 C ATOM 545 C ARG A 34 1.820 -5.786 -5.414 1.00 22.33 C ATOM 546 O ARG A 34 2.578 -4.911 -5.834 1.00 2.25 O ATOM 547 CB ARG A 34 -0.541 -5.224 -6.154 1.00 61.13 C ATOM 548 CG ARG A 34 -1.974 -4.863 -5.759 1.00 72.24 C ATOM 549 CD ARG A 34 -2.885 -4.665 -6.971 1.00 42.22 C ATOM 550 NE ARG A 34 -4.222 -4.218 -6.572 1.00 22.32 N ATOM 551 CZ ARG A 34 -5.325 -4.892 -6.767 1.00 64.22 C ATOM 552 NH1 ARG A 34 -5.324 -6.007 -7.424 1.00 74.31 N ATOM 553 NH2 ARG A 34 -6.441 -4.423 -6.315 1.00 63.31 N ATOM 0 H ARG A 34 0.428 -3.352 -4.620 1.00 32.13 H new ATOM 0 HA ARG A 34 0.030 -6.274 -4.356 1.00 12.43 H new ATOM 0 HB2 ARG A 34 -0.135 -4.433 -6.784 1.00 61.13 H new ATOM 0 HB3 ARG A 34 -0.556 -6.134 -6.754 1.00 61.13 H new ATOM 0 HG2 ARG A 34 -2.382 -5.651 -5.127 1.00 72.24 H new ATOM 0 HG3 ARG A 34 -1.964 -3.950 -5.163 1.00 72.24 H new ATOM 0 HD2 ARG A 34 -2.441 -3.932 -7.645 1.00 42.22 H new ATOM 0 HD3 ARG A 34 -2.963 -5.600 -7.525 1.00 42.22 H new ATOM 0 HE ARG A 34 -4.298 -3.313 -6.107 1.00 22.32 H new ATOM 0 HH11 ARG A 34 -4.451 -6.376 -7.801 1.00 74.31 H new ATOM 0 HH12 ARG A 34 -6.196 -6.517 -7.565 1.00 74.31 H new ATOM 0 HH21 ARG A 34 -6.455 -3.536 -5.812 1.00 63.31 H new ATOM 0 HH22 ARG A 34 -7.308 -4.940 -6.461 1.00 63.31 H new ATOM 567 N PRO A 35 2.196 -7.087 -5.368 1.00 41.34 N ATOM 568 CA PRO A 35 3.577 -7.537 -5.652 1.00 40.00 C ATOM 569 C PRO A 35 4.101 -7.144 -7.047 1.00 2.33 C ATOM 570 O PRO A 35 5.266 -6.775 -7.193 1.00 51.01 O ATOM 571 CB PRO A 35 3.504 -9.069 -5.513 1.00 60.22 C ATOM 572 CG PRO A 35 2.052 -9.408 -5.583 1.00 63.10 C ATOM 573 CD PRO A 35 1.313 -8.217 -5.032 1.00 34.22 C ATOM 0 HA PRO A 35 4.279 -7.059 -4.969 1.00 40.00 H new ATOM 0 HB2 PRO A 35 4.061 -9.562 -6.310 1.00 60.22 H new ATOM 0 HB3 PRO A 35 3.939 -9.398 -4.569 1.00 60.22 H new ATOM 0 HG2 PRO A 35 1.749 -9.612 -6.610 1.00 63.10 H new ATOM 0 HG3 PRO A 35 1.833 -10.304 -5.002 1.00 63.10 H new ATOM 0 HD2 PRO A 35 0.329 -8.108 -5.488 1.00 34.22 H new ATOM 0 HD3 PRO A 35 1.159 -8.301 -3.956 1.00 34.22 H new ATOM 581 N ARG A 36 3.252 -7.222 -8.072 1.00 54.23 N ATOM 582 CA ARG A 36 3.674 -6.877 -9.438 1.00 63.03 C ATOM 583 C ARG A 36 3.828 -5.358 -9.632 1.00 54.52 C ATOM 584 O ARG A 36 4.366 -4.904 -10.646 1.00 50.14 O ATOM 585 CB ARG A 36 2.704 -7.467 -10.470 1.00 1.23 C ATOM 586 CG ARG A 36 2.801 -8.986 -10.579 1.00 52.33 C ATOM 587 CD ARG A 36 1.856 -9.560 -11.627 1.00 13.24 C ATOM 588 NE ARG A 36 2.155 -10.965 -11.899 1.00 54.13 N ATOM 589 CZ ARG A 36 1.356 -11.959 -11.637 1.00 55.24 C ATOM 590 NH1 ARG A 36 0.186 -11.754 -11.124 1.00 54.42 N ATOM 591 NH2 ARG A 36 1.733 -13.165 -11.899 1.00 51.44 N ATOM 0 H ARG A 36 2.279 -7.517 -7.989 1.00 54.23 H new ATOM 0 HA ARG A 36 4.658 -7.319 -9.594 1.00 63.03 H new ATOM 0 HB2 ARG A 36 1.684 -7.192 -10.201 1.00 1.23 H new ATOM 0 HB3 ARG A 36 2.907 -7.025 -11.445 1.00 1.23 H new ATOM 0 HG2 ARG A 36 3.825 -9.264 -10.828 1.00 52.33 H new ATOM 0 HG3 ARG A 36 2.576 -9.431 -9.610 1.00 52.33 H new ATOM 0 HD2 ARG A 36 0.826 -9.465 -11.282 1.00 13.24 H new ATOM 0 HD3 ARG A 36 1.938 -8.984 -12.548 1.00 13.24 H new ATOM 0 HE ARG A 36 3.056 -11.182 -12.325 1.00 54.13 H new ATOM 0 HH11 ARG A 36 -0.122 -10.803 -10.919 1.00 54.42 H new ATOM 0 HH12 ARG A 36 -0.429 -12.543 -10.924 1.00 54.42 H new ATOM 0 HH21 ARG A 36 2.652 -13.335 -12.309 1.00 51.44 H new ATOM 0 HH22 ARG A 36 1.112 -13.949 -11.696 1.00 51.44 H new ATOM 605 N ASP A 37 3.361 -4.578 -8.655 1.00 31.54 N ATOM 606 CA ASP A 37 3.583 -3.126 -8.644 1.00 51.02 C ATOM 607 C ASP A 37 4.807 -2.771 -7.778 1.00 63.44 C ATOM 608 O ASP A 37 5.103 -1.599 -7.535 1.00 25.03 O ATOM 609 CB ASP A 37 2.331 -2.403 -8.138 1.00 42.32 C ATOM 610 CG ASP A 37 1.137 -2.641 -9.044 1.00 71.22 C ATOM 611 OD1 ASP A 37 1.112 -2.085 -10.164 1.00 50.00 O ATOM 612 OD2 ASP A 37 0.223 -3.397 -8.656 1.00 22.41 O ATOM 0 H ASP A 37 2.826 -4.926 -7.859 1.00 31.54 H new ATOM 0 HA ASP A 37 3.784 -2.796 -9.663 1.00 51.02 H new ATOM 0 HB2 ASP A 37 2.096 -2.745 -7.130 1.00 42.32 H new ATOM 0 HB3 ASP A 37 2.530 -1.333 -8.073 1.00 42.32 H new ATOM 617 N MET A 38 5.514 -3.804 -7.319 1.00 2.22 N ATOM 618 CA MET A 38 6.749 -3.632 -6.553 1.00 34.42 C ATOM 619 C MET A 38 7.975 -3.655 -7.476 1.00 70.34 C ATOM 620 O MET A 38 7.975 -4.317 -8.515 1.00 65.35 O ATOM 621 CB MET A 38 6.870 -4.742 -5.500 1.00 42.24 C ATOM 622 CG MET A 38 5.701 -4.782 -4.527 1.00 22.34 C ATOM 623 SD MET A 38 5.640 -3.338 -3.453 1.00 31.31 S ATOM 624 CE MET A 38 7.035 -3.647 -2.376 1.00 63.32 C ATOM 0 H MET A 38 5.249 -4.778 -7.466 1.00 2.22 H new ATOM 0 HA MET A 38 6.711 -2.663 -6.056 1.00 34.42 H new ATOM 0 HB2 MET A 38 6.946 -5.705 -6.005 1.00 42.24 H new ATOM 0 HB3 MET A 38 7.795 -4.602 -4.940 1.00 42.24 H new ATOM 0 HG2 MET A 38 4.769 -4.852 -5.088 1.00 22.34 H new ATOM 0 HG3 MET A 38 5.773 -5.681 -3.916 1.00 22.34 H new ATOM 0 HE1 MET A 38 7.011 -2.948 -1.540 1.00 63.32 H new ATOM 0 HE2 MET A 38 6.983 -4.668 -1.997 1.00 63.32 H new ATOM 0 HE3 MET A 38 7.962 -3.514 -2.934 1.00 63.32 H new ATOM 634 N ILE A 39 9.014 -2.915 -7.100 1.00 62.41 N ATOM 635 CA ILE A 39 10.268 -2.891 -7.868 1.00 12.41 C ATOM 636 C ILE A 39 11.332 -3.793 -7.222 1.00 62.22 C ATOM 637 O ILE A 39 11.818 -4.744 -7.838 1.00 22.24 O ATOM 638 CB ILE A 39 10.836 -1.450 -7.980 1.00 51.34 C ATOM 639 CG1 ILE A 39 9.792 -0.495 -8.590 1.00 23.43 C ATOM 640 CG2 ILE A 39 12.130 -1.435 -8.798 1.00 23.51 C ATOM 641 CD1 ILE A 39 9.357 -0.865 -9.993 1.00 1.42 C ATOM 0 H ILE A 39 9.019 -2.322 -6.270 1.00 62.41 H new ATOM 0 HA ILE A 39 10.033 -3.263 -8.865 1.00 12.41 H new ATOM 0 HB ILE A 39 11.068 -1.100 -6.974 1.00 51.34 H new ATOM 0 HG12 ILE A 39 8.915 -0.473 -7.944 1.00 23.43 H new ATOM 0 HG13 ILE A 39 10.203 0.514 -8.603 1.00 23.43 H new ATOM 0 HG21 ILE A 39 12.508 -0.415 -8.862 1.00 23.51 H new ATOM 0 HG22 ILE A 39 12.874 -2.068 -8.314 1.00 23.51 H new ATOM 0 HG23 ILE A 39 11.931 -1.812 -9.801 1.00 23.51 H new ATOM 0 HD11 ILE A 39 8.622 -0.143 -10.348 1.00 1.42 H new ATOM 0 HD12 ILE A 39 10.222 -0.858 -10.656 1.00 1.42 H new ATOM 0 HD13 ILE A 39 8.913 -1.861 -9.986 1.00 1.42 H new ATOM 653 N SER A 40 11.682 -3.489 -5.974 1.00 62.13 N ATOM 654 CA SER A 40 12.764 -4.203 -5.274 1.00 12.03 C ATOM 655 C SER A 40 12.243 -5.149 -4.179 1.00 13.35 C ATOM 656 O SER A 40 12.660 -6.301 -4.095 1.00 71.21 O ATOM 657 CB SER A 40 13.737 -3.194 -4.648 1.00 70.44 C ATOM 658 OG SER A 40 14.269 -2.313 -5.625 1.00 11.31 O ATOM 0 H SER A 40 11.237 -2.756 -5.422 1.00 62.13 H new ATOM 0 HA SER A 40 13.273 -4.813 -6.020 1.00 12.03 H new ATOM 0 HB2 SER A 40 13.222 -2.618 -3.879 1.00 70.44 H new ATOM 0 HB3 SER A 40 14.550 -3.728 -4.156 1.00 70.44 H new ATOM 0 HG SER A 40 14.883 -1.681 -5.196 1.00 11.31 H new ATOM 664 N LEU A 41 11.328 -4.660 -3.342 1.00 64.22 N ATOM 665 CA LEU A 41 10.863 -5.423 -2.172 1.00 63.35 C ATOM 666 C LEU A 41 9.808 -6.488 -2.525 1.00 0.51 C ATOM 667 O LEU A 41 8.775 -6.193 -3.122 1.00 64.31 O ATOM 668 CB LEU A 41 10.305 -4.469 -1.106 1.00 2.25 C ATOM 669 CG LEU A 41 11.353 -3.604 -0.383 1.00 71.12 C ATOM 670 CD1 LEU A 41 10.682 -2.642 0.597 1.00 40.11 C ATOM 671 CD2 LEU A 41 12.374 -4.486 0.340 1.00 45.11 C ATOM 0 H LEU A 41 10.893 -3.744 -3.447 1.00 64.22 H new ATOM 0 HA LEU A 41 11.731 -5.954 -1.781 1.00 63.35 H new ATOM 0 HB2 LEU A 41 9.577 -3.809 -1.578 1.00 2.25 H new ATOM 0 HB3 LEU A 41 9.767 -5.057 -0.362 1.00 2.25 H new ATOM 0 HG LEU A 41 11.880 -3.012 -1.132 1.00 71.12 H new ATOM 0 HD11 LEU A 41 11.443 -2.041 1.096 1.00 40.11 H new ATOM 0 HD12 LEU A 41 10.000 -1.987 0.055 1.00 40.11 H new ATOM 0 HD13 LEU A 41 10.124 -3.211 1.341 1.00 40.11 H new ATOM 0 HD21 LEU A 41 13.106 -3.856 0.845 1.00 45.11 H new ATOM 0 HD22 LEU A 41 11.862 -5.108 1.075 1.00 45.11 H new ATOM 0 HD23 LEU A 41 12.882 -5.123 -0.384 1.00 45.11 H new ATOM 683 N ARG A 42 10.096 -7.731 -2.137 1.00 53.51 N ATOM 684 CA ARG A 42 9.160 -8.856 -2.282 1.00 32.10 C ATOM 685 C ARG A 42 8.235 -8.961 -1.058 1.00 43.43 C ATOM 686 O ARG A 42 8.654 -8.660 0.058 1.00 60.24 O ATOM 687 CB ARG A 42 9.959 -10.163 -2.416 1.00 14.30 C ATOM 688 CG ARG A 42 10.761 -10.283 -3.710 1.00 74.34 C ATOM 689 CD ARG A 42 9.855 -10.520 -4.909 1.00 72.12 C ATOM 690 NE ARG A 42 9.127 -11.782 -4.774 1.00 32.11 N ATOM 691 CZ ARG A 42 7.944 -12.007 -5.270 1.00 64.41 C ATOM 692 NH1 ARG A 42 7.338 -11.112 -5.978 1.00 51.41 N ATOM 693 NH2 ARG A 42 7.374 -13.151 -5.073 1.00 1.13 N ATOM 0 H ARG A 42 10.986 -7.991 -1.712 1.00 53.51 H new ATOM 0 HA ARG A 42 8.550 -8.688 -3.170 1.00 32.10 H new ATOM 0 HB2 ARG A 42 10.642 -10.245 -1.571 1.00 14.30 H new ATOM 0 HB3 ARG A 42 9.269 -11.004 -2.351 1.00 14.30 H new ATOM 0 HG2 ARG A 42 11.341 -9.373 -3.865 1.00 74.34 H new ATOM 0 HG3 ARG A 42 11.473 -11.104 -3.623 1.00 74.34 H new ATOM 0 HD2 ARG A 42 9.148 -9.696 -5.003 1.00 72.12 H new ATOM 0 HD3 ARG A 42 10.450 -10.535 -5.822 1.00 72.12 H new ATOM 0 HE ARG A 42 9.577 -12.537 -4.256 1.00 32.11 H new ATOM 0 HH11 ARG A 42 7.786 -10.213 -6.156 1.00 51.41 H new ATOM 0 HH12 ARG A 42 6.412 -11.304 -6.359 1.00 51.41 H new ATOM 0 HH21 ARG A 42 7.851 -13.872 -4.531 1.00 1.13 H new ATOM 0 HH22 ARG A 42 6.448 -13.332 -5.459 1.00 1.13 H new ATOM 707 N LEU A 43 6.987 -9.404 -1.264 1.00 24.44 N ATOM 708 CA LEU A 43 6.062 -9.648 -0.141 1.00 23.44 C ATOM 709 C LEU A 43 6.699 -10.586 0.896 1.00 1.02 C ATOM 710 O LEU A 43 6.495 -10.442 2.101 1.00 41.32 O ATOM 711 CB LEU A 43 4.750 -10.263 -0.648 1.00 50.13 C ATOM 712 CG LEU A 43 3.934 -9.391 -1.615 1.00 34.11 C ATOM 713 CD1 LEU A 43 2.669 -10.125 -2.053 1.00 62.33 C ATOM 714 CD2 LEU A 43 3.589 -8.045 -0.977 1.00 24.42 C ATOM 0 H LEU A 43 6.595 -9.600 -2.185 1.00 24.44 H new ATOM 0 HA LEU A 43 5.850 -8.689 0.331 1.00 23.44 H new ATOM 0 HB2 LEU A 43 4.980 -11.206 -1.144 1.00 50.13 H new ATOM 0 HB3 LEU A 43 4.125 -10.501 0.213 1.00 50.13 H new ATOM 0 HG LEU A 43 4.542 -9.196 -2.498 1.00 34.11 H new ATOM 0 HD11 LEU A 43 2.101 -9.495 -2.738 1.00 62.33 H new ATOM 0 HD12 LEU A 43 2.942 -11.053 -2.556 1.00 62.33 H new ATOM 0 HD13 LEU A 43 2.059 -10.352 -1.179 1.00 62.33 H new ATOM 0 HD21 LEU A 43 3.011 -7.446 -1.681 1.00 24.42 H new ATOM 0 HD22 LEU A 43 3.001 -8.210 -0.074 1.00 24.42 H new ATOM 0 HD23 LEU A 43 4.508 -7.518 -0.721 1.00 24.42 H new ATOM 726 N GLU A 44 7.486 -11.535 0.398 1.00 52.42 N ATOM 727 CA GLU A 44 8.225 -12.492 1.230 1.00 31.12 C ATOM 728 C GLU A 44 9.082 -11.784 2.294 1.00 22.55 C ATOM 729 O GLU A 44 9.284 -12.298 3.394 1.00 62.51 O ATOM 730 CB GLU A 44 9.129 -13.335 0.320 1.00 43.21 C ATOM 731 CG GLU A 44 8.399 -13.912 -0.890 1.00 5.35 C ATOM 732 CD GLU A 44 9.342 -14.442 -1.955 1.00 30.04 C ATOM 733 OE1 GLU A 44 9.940 -13.619 -2.680 1.00 70.14 O ATOM 734 OE2 GLU A 44 9.483 -15.675 -2.087 1.00 3.25 O ATOM 0 H GLU A 44 7.633 -11.666 -0.603 1.00 52.42 H new ATOM 0 HA GLU A 44 7.506 -13.122 1.754 1.00 31.12 H new ATOM 0 HB2 GLU A 44 9.960 -12.720 -0.025 1.00 43.21 H new ATOM 0 HB3 GLU A 44 9.557 -14.152 0.901 1.00 43.21 H new ATOM 0 HG2 GLU A 44 7.742 -14.717 -0.561 1.00 5.35 H new ATOM 0 HG3 GLU A 44 7.764 -13.141 -1.326 1.00 5.35 H new ATOM 741 N ASN A 45 9.574 -10.592 1.953 1.00 64.43 N ATOM 742 CA ASN A 45 10.492 -9.842 2.817 1.00 40.34 C ATOM 743 C ASN A 45 9.767 -8.744 3.615 1.00 74.21 C ATOM 744 O ASN A 45 10.382 -8.046 4.425 1.00 23.43 O ATOM 745 CB ASN A 45 11.595 -9.208 1.964 1.00 3.42 C ATOM 746 CG ASN A 45 12.291 -10.216 1.072 1.00 53.44 C ATOM 747 OD1 ASN A 45 12.401 -11.392 1.397 1.00 42.12 O ATOM 748 ND2 ASN A 45 12.768 -9.763 -0.068 1.00 2.44 N ATOM 0 H ASN A 45 9.350 -10.120 1.077 1.00 64.43 H new ATOM 0 HA ASN A 45 10.921 -10.544 3.532 1.00 40.34 H new ATOM 0 HB2 ASN A 45 11.165 -8.419 1.348 1.00 3.42 H new ATOM 0 HB3 ASN A 45 12.330 -8.738 2.617 1.00 3.42 H new ATOM 0 HD21 ASN A 45 13.245 -10.397 -0.709 1.00 2.44 H new ATOM 0 HD22 ASN A 45 12.661 -8.778 -0.310 1.00 2.44 H new ATOM 755 N LEU A 46 8.467 -8.579 3.378 1.00 24.32 N ATOM 756 CA LEU A 46 7.691 -7.539 4.066 1.00 64.15 C ATOM 757 C LEU A 46 7.086 -8.073 5.373 1.00 41.22 C ATOM 758 O LEU A 46 6.472 -9.140 5.395 1.00 25.34 O ATOM 759 CB LEU A 46 6.576 -6.999 3.157 1.00 15.24 C ATOM 760 CG LEU A 46 7.034 -6.468 1.785 1.00 13.44 C ATOM 761 CD1 LEU A 46 5.880 -5.771 1.060 1.00 32.12 C ATOM 762 CD2 LEU A 46 8.239 -5.537 1.931 1.00 3.14 C ATOM 0 H LEU A 46 7.929 -9.145 2.721 1.00 24.32 H new ATOM 0 HA LEU A 46 8.374 -6.725 4.308 1.00 64.15 H new ATOM 0 HB2 LEU A 46 5.848 -7.794 2.994 1.00 15.24 H new ATOM 0 HB3 LEU A 46 6.060 -6.196 3.683 1.00 15.24 H new ATOM 0 HG LEU A 46 7.346 -7.319 1.179 1.00 13.44 H new ATOM 0 HD11 LEU A 46 6.226 -5.404 0.094 1.00 32.12 H new ATOM 0 HD12 LEU A 46 5.065 -6.479 0.909 1.00 32.12 H new ATOM 0 HD13 LEU A 46 5.526 -4.933 1.661 1.00 32.12 H new ATOM 0 HD21 LEU A 46 8.542 -5.177 0.948 1.00 3.14 H new ATOM 0 HD22 LEU A 46 7.970 -4.689 2.561 1.00 3.14 H new ATOM 0 HD23 LEU A 46 9.066 -6.081 2.388 1.00 3.14 H new ATOM 774 N ASN A 47 7.274 -7.326 6.460 1.00 41.31 N ATOM 775 CA ASN A 47 6.738 -7.701 7.773 1.00 3.11 C ATOM 776 C ASN A 47 5.932 -6.551 8.395 1.00 22.12 C ATOM 777 O ASN A 47 5.936 -5.424 7.894 1.00 33.23 O ATOM 778 CB ASN A 47 7.877 -8.101 8.719 1.00 44.13 C ATOM 779 CG ASN A 47 8.664 -9.292 8.207 1.00 50.41 C ATOM 780 OD1 ASN A 47 8.338 -10.438 8.491 1.00 62.13 O ATOM 781 ND2 ASN A 47 9.712 -9.035 7.450 1.00 15.32 N ATOM 0 H ASN A 47 7.797 -6.450 6.459 1.00 41.31 H new ATOM 0 HA ASN A 47 6.071 -8.551 7.628 1.00 3.11 H new ATOM 0 HB2 ASN A 47 8.550 -7.254 8.851 1.00 44.13 H new ATOM 0 HB3 ASN A 47 7.465 -8.336 9.700 1.00 44.13 H new ATOM 0 HD21 ASN A 47 10.277 -9.801 7.083 1.00 15.32 H new ATOM 0 HD22 ASN A 47 9.958 -8.070 7.231 1.00 15.32 H new ATOM 788 N VAL A 48 5.245 -6.840 9.495 1.00 45.01 N ATOM 789 CA VAL A 48 4.475 -5.826 10.215 1.00 2.12 C ATOM 790 C VAL A 48 5.400 -4.745 10.802 1.00 45.25 C ATOM 791 O VAL A 48 6.236 -5.023 11.665 1.00 2.21 O ATOM 792 CB VAL A 48 3.648 -6.466 11.356 1.00 22.25 C ATOM 793 CG1 VAL A 48 2.785 -5.418 12.065 1.00 0.23 C ATOM 794 CG2 VAL A 48 2.787 -7.610 10.824 1.00 32.23 C ATOM 0 H VAL A 48 5.204 -7.771 9.910 1.00 45.01 H new ATOM 0 HA VAL A 48 3.796 -5.363 9.498 1.00 2.12 H new ATOM 0 HB VAL A 48 4.344 -6.876 12.087 1.00 22.25 H new ATOM 0 HG11 VAL A 48 2.215 -5.895 12.862 1.00 0.23 H new ATOM 0 HG12 VAL A 48 3.426 -4.646 12.490 1.00 0.23 H new ATOM 0 HG13 VAL A 48 2.099 -4.966 11.348 1.00 0.23 H new ATOM 0 HG21 VAL A 48 2.214 -8.045 11.643 1.00 32.23 H new ATOM 0 HG22 VAL A 48 2.103 -7.229 10.066 1.00 32.23 H new ATOM 0 HG23 VAL A 48 3.428 -8.374 10.384 1.00 32.23 H new ATOM 804 N GLY A 49 5.238 -3.510 10.339 1.00 5.10 N ATOM 805 CA GLY A 49 6.083 -2.414 10.805 1.00 32.32 C ATOM 806 C GLY A 49 6.954 -1.807 9.707 1.00 52.21 C ATOM 807 O GLY A 49 7.529 -0.730 9.894 1.00 71.23 O ATOM 0 H GLY A 49 4.537 -3.243 9.648 1.00 5.10 H new ATOM 0 HA2 GLY A 49 5.451 -1.634 11.230 1.00 32.32 H new ATOM 0 HA3 GLY A 49 6.725 -2.777 11.608 1.00 32.32 H new ATOM 811 N ASP A 50 7.058 -2.488 8.566 1.00 60.15 N ATOM 812 CA ASP A 50 7.808 -1.961 7.420 1.00 11.20 C ATOM 813 C ASP A 50 7.169 -0.673 6.869 1.00 71.15 C ATOM 814 O ASP A 50 6.075 -0.699 6.298 1.00 64.40 O ATOM 815 CB ASP A 50 7.915 -3.029 6.319 1.00 0.35 C ATOM 816 CG ASP A 50 9.133 -3.919 6.497 1.00 0.42 C ATOM 817 OD1 ASP A 50 10.260 -3.438 6.268 1.00 62.23 O ATOM 818 OD2 ASP A 50 8.981 -5.093 6.885 1.00 72.30 O ATOM 0 H ASP A 50 6.635 -3.403 8.408 1.00 60.15 H new ATOM 0 HA ASP A 50 8.811 -1.707 7.763 1.00 11.20 H new ATOM 0 HB2 ASP A 50 7.015 -3.644 6.323 1.00 0.35 H new ATOM 0 HB3 ASP A 50 7.963 -2.541 5.346 1.00 0.35 H new ATOM 823 N GLU A 51 7.856 0.453 7.064 1.00 12.12 N ATOM 824 CA GLU A 51 7.391 1.756 6.572 1.00 54.00 C ATOM 825 C GLU A 51 7.900 2.007 5.143 1.00 4.50 C ATOM 826 O GLU A 51 9.070 2.340 4.932 1.00 23.43 O ATOM 827 CB GLU A 51 7.868 2.872 7.514 1.00 72.02 C ATOM 828 CG GLU A 51 7.387 2.704 8.951 1.00 31.44 C ATOM 829 CD GLU A 51 7.927 3.776 9.881 1.00 31.31 C ATOM 830 OE1 GLU A 51 9.090 3.653 10.320 1.00 12.54 O ATOM 831 OE2 GLU A 51 7.198 4.747 10.173 1.00 43.32 O ATOM 0 H GLU A 51 8.745 0.491 7.563 1.00 12.12 H new ATOM 0 HA GLU A 51 6.301 1.753 6.551 1.00 54.00 H new ATOM 0 HB2 GLU A 51 8.958 2.902 7.505 1.00 72.02 H new ATOM 0 HB3 GLU A 51 7.519 3.832 7.133 1.00 72.02 H new ATOM 0 HG2 GLU A 51 6.297 2.728 8.970 1.00 31.44 H new ATOM 0 HG3 GLU A 51 7.690 1.724 9.319 1.00 31.44 H new ATOM 838 N ILE A 52 7.016 1.829 4.166 1.00 71.24 N ATOM 839 CA ILE A 52 7.381 1.938 2.748 1.00 44.42 C ATOM 840 C ILE A 52 6.758 3.183 2.088 1.00 51.20 C ATOM 841 O ILE A 52 5.608 3.535 2.356 1.00 31.12 O ATOM 842 CB ILE A 52 6.932 0.672 1.972 1.00 45.44 C ATOM 843 CG1 ILE A 52 7.517 -0.595 2.626 1.00 4.22 C ATOM 844 CG2 ILE A 52 7.348 0.759 0.504 1.00 0.51 C ATOM 845 CD1 ILE A 52 7.088 -1.886 1.958 1.00 62.44 C ATOM 0 H ILE A 52 6.034 1.607 4.327 1.00 71.24 H new ATOM 0 HA ILE A 52 8.466 2.033 2.705 1.00 44.42 H new ATOM 0 HB ILE A 52 5.844 0.613 2.014 1.00 45.44 H new ATOM 0 HG12 ILE A 52 8.605 -0.532 2.607 1.00 4.22 H new ATOM 0 HG13 ILE A 52 7.217 -0.623 3.674 1.00 4.22 H new ATOM 0 HG21 ILE A 52 7.023 -0.140 -0.020 1.00 0.51 H new ATOM 0 HG22 ILE A 52 6.886 1.634 0.046 1.00 0.51 H new ATOM 0 HG23 ILE A 52 8.433 0.845 0.438 1.00 0.51 H new ATOM 0 HD11 ILE A 52 7.541 -2.732 2.476 1.00 62.44 H new ATOM 0 HD12 ILE A 52 6.002 -1.974 2.000 1.00 62.44 H new ATOM 0 HD13 ILE A 52 7.412 -1.882 0.917 1.00 62.44 H new ATOM 857 N ILE A 53 7.529 3.850 1.226 1.00 2.41 N ATOM 858 CA ILE A 53 7.018 4.989 0.455 1.00 10.41 C ATOM 859 C ILE A 53 6.327 4.496 -0.827 1.00 41.51 C ATOM 860 O ILE A 53 6.982 3.998 -1.748 1.00 43.42 O ATOM 861 CB ILE A 53 8.149 5.983 0.083 1.00 71.32 C ATOM 862 CG1 ILE A 53 8.850 6.491 1.353 1.00 60.12 C ATOM 863 CG2 ILE A 53 7.595 7.153 -0.737 1.00 14.23 C ATOM 864 CD1 ILE A 53 9.993 7.446 1.085 1.00 4.11 C ATOM 0 H ILE A 53 8.507 3.623 1.044 1.00 2.41 H new ATOM 0 HA ILE A 53 6.298 5.512 1.084 1.00 10.41 H new ATOM 0 HB ILE A 53 8.882 5.459 -0.531 1.00 71.32 H new ATOM 0 HG12 ILE A 53 8.116 6.988 1.987 1.00 60.12 H new ATOM 0 HG13 ILE A 53 9.228 5.636 1.914 1.00 60.12 H new ATOM 0 HG21 ILE A 53 8.405 7.838 -0.987 1.00 14.23 H new ATOM 0 HG22 ILE A 53 7.145 6.773 -1.654 1.00 14.23 H new ATOM 0 HG23 ILE A 53 6.841 7.681 -0.154 1.00 14.23 H new ATOM 0 HD11 ILE A 53 10.435 7.759 2.031 1.00 4.11 H new ATOM 0 HD12 ILE A 53 10.749 6.948 0.478 1.00 4.11 H new ATOM 0 HD13 ILE A 53 9.619 8.321 0.553 1.00 4.11 H new ATOM 876 N VAL A 54 5.007 4.627 -0.878 1.00 65.11 N ATOM 877 CA VAL A 54 4.213 4.080 -1.983 1.00 2.24 C ATOM 878 C VAL A 54 3.357 5.156 -2.669 1.00 23.11 C ATOM 879 O VAL A 54 2.926 6.127 -2.044 1.00 61.42 O ATOM 880 CB VAL A 54 3.291 2.935 -1.487 1.00 53.12 C ATOM 881 CG1 VAL A 54 4.113 1.723 -1.046 1.00 31.34 C ATOM 882 CG2 VAL A 54 2.392 3.422 -0.349 1.00 10.31 C ATOM 0 H VAL A 54 4.458 5.109 -0.166 1.00 65.11 H new ATOM 0 HA VAL A 54 4.923 3.690 -2.712 1.00 2.24 H new ATOM 0 HB VAL A 54 2.656 2.627 -2.318 1.00 53.12 H new ATOM 0 HG11 VAL A 54 3.443 0.935 -0.703 1.00 31.34 H new ATOM 0 HG12 VAL A 54 4.703 1.358 -1.887 1.00 31.34 H new ATOM 0 HG13 VAL A 54 4.780 2.012 -0.234 1.00 31.34 H new ATOM 0 HG21 VAL A 54 1.753 2.605 -0.015 1.00 10.31 H new ATOM 0 HG22 VAL A 54 3.009 3.763 0.482 1.00 10.31 H new ATOM 0 HG23 VAL A 54 1.772 4.246 -0.702 1.00 10.31 H new ATOM 892 N GLN A 55 3.124 4.980 -3.967 1.00 40.25 N ATOM 893 CA GLN A 55 2.228 5.864 -4.720 1.00 3.42 C ATOM 894 C GLN A 55 0.845 5.219 -4.870 1.00 64.10 C ATOM 895 O GLN A 55 0.733 4.062 -5.280 1.00 32.43 O ATOM 896 CB GLN A 55 2.814 6.184 -6.104 1.00 51.33 C ATOM 897 CG GLN A 55 1.964 7.157 -6.922 1.00 32.44 C ATOM 898 CD GLN A 55 2.546 7.447 -8.295 1.00 54.42 C ATOM 899 OE1 GLN A 55 3.209 6.609 -8.893 1.00 42.31 O ATOM 900 NE2 GLN A 55 2.306 8.637 -8.805 1.00 23.14 N ATOM 0 H GLN A 55 3.542 4.234 -4.523 1.00 40.25 H new ATOM 0 HA GLN A 55 2.125 6.796 -4.165 1.00 3.42 H new ATOM 0 HB2 GLN A 55 3.812 6.605 -5.978 1.00 51.33 H new ATOM 0 HB3 GLN A 55 2.928 5.256 -6.664 1.00 51.33 H new ATOM 0 HG2 GLN A 55 0.962 6.745 -7.038 1.00 32.44 H new ATOM 0 HG3 GLN A 55 1.862 8.093 -6.372 1.00 32.44 H new ATOM 0 HE21 GLN A 55 1.750 9.313 -8.282 1.00 23.14 H new ATOM 0 HE22 GLN A 55 2.676 8.882 -9.723 1.00 23.14 H new ATOM 909 N ALA A 56 -0.202 5.965 -4.535 1.00 71.22 N ATOM 910 CA ALA A 56 -1.571 5.456 -4.637 1.00 64.11 C ATOM 911 C ALA A 56 -2.019 5.347 -6.103 1.00 34.34 C ATOM 912 O ALA A 56 -2.298 6.356 -6.748 1.00 13.52 O ATOM 913 CB ALA A 56 -2.524 6.349 -3.852 1.00 31.02 C ATOM 0 H ALA A 56 -0.133 6.923 -4.191 1.00 71.22 H new ATOM 0 HA ALA A 56 -1.592 4.454 -4.208 1.00 64.11 H new ATOM 0 HB1 ALA A 56 -3.539 5.960 -3.936 1.00 31.02 H new ATOM 0 HB2 ALA A 56 -2.227 6.365 -2.803 1.00 31.02 H new ATOM 0 HB3 ALA A 56 -2.489 7.361 -4.255 1.00 31.02 H new ATOM 919 N ILE A 57 -2.073 4.123 -6.625 1.00 52.22 N ATOM 920 CA ILE A 57 -2.480 3.884 -8.016 1.00 60.41 C ATOM 921 C ILE A 57 -3.927 4.347 -8.262 1.00 53.23 C ATOM 922 O ILE A 57 -4.179 5.234 -9.079 1.00 13.00 O ATOM 923 CB ILE A 57 -2.358 2.382 -8.389 1.00 52.12 C ATOM 924 CG1 ILE A 57 -0.954 1.856 -8.054 1.00 42.02 C ATOM 925 CG2 ILE A 57 -2.673 2.169 -9.871 1.00 40.35 C ATOM 926 CD1 ILE A 57 -0.769 0.380 -8.344 1.00 72.32 C ATOM 0 H ILE A 57 -1.840 3.276 -6.107 1.00 52.22 H new ATOM 0 HA ILE A 57 -1.806 4.465 -8.646 1.00 60.41 H new ATOM 0 HB ILE A 57 -3.084 1.821 -7.800 1.00 52.12 H new ATOM 0 HG12 ILE A 57 -0.218 2.424 -8.623 1.00 42.02 H new ATOM 0 HG13 ILE A 57 -0.750 2.038 -6.999 1.00 42.02 H new ATOM 0 HG21 ILE A 57 -2.582 1.110 -10.114 1.00 40.35 H new ATOM 0 HG22 ILE A 57 -3.690 2.503 -10.079 1.00 40.35 H new ATOM 0 HG23 ILE A 57 -1.972 2.742 -10.478 1.00 40.35 H new ATOM 0 HD11 ILE A 57 0.246 0.082 -8.082 1.00 72.32 H new ATOM 0 HD12 ILE A 57 -1.480 -0.199 -7.755 1.00 72.32 H new ATOM 0 HD13 ILE A 57 -0.940 0.193 -9.404 1.00 72.32 H new ATOM 938 N ASP A 58 -4.872 3.740 -7.545 1.00 12.31 N ATOM 939 CA ASP A 58 -6.290 4.107 -7.648 1.00 64.42 C ATOM 940 C ASP A 58 -6.955 4.194 -6.269 1.00 3.03 C ATOM 941 O ASP A 58 -6.611 3.449 -5.349 1.00 72.51 O ATOM 942 CB ASP A 58 -7.052 3.102 -8.520 1.00 4.34 C ATOM 943 CG ASP A 58 -6.678 3.204 -9.986 1.00 24.30 C ATOM 944 OD1 ASP A 58 -7.172 4.129 -10.664 1.00 43.31 O ATOM 945 OD2 ASP A 58 -5.904 2.357 -10.472 1.00 63.54 O ATOM 0 H ASP A 58 -4.683 2.988 -6.882 1.00 12.31 H new ATOM 0 HA ASP A 58 -6.331 5.092 -8.113 1.00 64.42 H new ATOM 0 HB2 ASP A 58 -6.849 2.091 -8.166 1.00 4.34 H new ATOM 0 HB3 ASP A 58 -8.123 3.269 -8.409 1.00 4.34 H new ATOM 950 N VAL A 59 -7.912 5.110 -6.141 1.00 32.32 N ATOM 951 CA VAL A 59 -8.697 5.257 -4.913 1.00 71.14 C ATOM 952 C VAL A 59 -10.170 4.909 -5.185 1.00 73.03 C ATOM 953 O VAL A 59 -10.873 5.644 -5.876 1.00 25.35 O ATOM 954 CB VAL A 59 -8.598 6.698 -4.346 1.00 21.14 C ATOM 955 CG1 VAL A 59 -9.425 6.844 -3.068 1.00 10.11 C ATOM 956 CG2 VAL A 59 -7.138 7.079 -4.097 1.00 65.14 C ATOM 0 H VAL A 59 -8.166 5.768 -6.878 1.00 32.32 H new ATOM 0 HA VAL A 59 -8.288 4.570 -4.172 1.00 71.14 H new ATOM 0 HB VAL A 59 -9.008 7.383 -5.088 1.00 21.14 H new ATOM 0 HG11 VAL A 59 -9.337 7.863 -2.692 1.00 10.11 H new ATOM 0 HG12 VAL A 59 -10.471 6.626 -3.284 1.00 10.11 H new ATOM 0 HG13 VAL A 59 -9.057 6.147 -2.315 1.00 10.11 H new ATOM 0 HG21 VAL A 59 -7.089 8.093 -3.700 1.00 65.14 H new ATOM 0 HG22 VAL A 59 -6.699 6.386 -3.379 1.00 65.14 H new ATOM 0 HG23 VAL A 59 -6.584 7.030 -5.035 1.00 65.14 H new ATOM 966 N ARG A 60 -10.619 3.774 -4.654 1.00 61.12 N ATOM 967 CA ARG A 60 -11.987 3.290 -4.890 1.00 51.40 C ATOM 968 C ARG A 60 -12.911 3.668 -3.713 1.00 23.20 C ATOM 969 O ARG A 60 -12.931 2.974 -2.695 1.00 50.23 O ATOM 970 CB ARG A 60 -11.966 1.762 -5.060 1.00 22.14 C ATOM 971 CG ARG A 60 -10.900 1.257 -6.034 1.00 62.55 C ATOM 972 CD ARG A 60 -10.850 -0.268 -6.078 1.00 12.41 C ATOM 973 NE ARG A 60 -9.562 -0.769 -6.562 1.00 63.12 N ATOM 974 CZ ARG A 60 -9.367 -1.971 -7.032 1.00 52.30 C ATOM 975 NH1 ARG A 60 -10.347 -2.807 -7.146 1.00 42.51 N ATOM 976 NH2 ARG A 60 -8.180 -2.337 -7.385 1.00 60.42 N ATOM 0 H ARG A 60 -10.058 3.168 -4.056 1.00 61.12 H new ATOM 0 HA ARG A 60 -12.372 3.758 -5.796 1.00 51.40 H new ATOM 0 HB2 ARG A 60 -11.801 1.301 -4.086 1.00 22.14 H new ATOM 0 HB3 ARG A 60 -12.945 1.432 -5.407 1.00 22.14 H new ATOM 0 HG2 ARG A 60 -11.107 1.643 -7.032 1.00 62.55 H new ATOM 0 HG3 ARG A 60 -9.925 1.644 -5.739 1.00 62.55 H new ATOM 0 HD2 ARG A 60 -11.040 -0.664 -5.080 1.00 12.41 H new ATOM 0 HD3 ARG A 60 -11.647 -0.637 -6.724 1.00 12.41 H new ATOM 0 HE ARG A 60 -8.763 -0.136 -6.530 1.00 63.12 H new ATOM 0 HH11 ARG A 60 -11.288 -2.531 -6.867 1.00 42.51 H new ATOM 0 HH12 ARG A 60 -10.179 -3.743 -7.515 1.00 42.51 H new ATOM 0 HH21 ARG A 60 -7.399 -1.688 -7.296 1.00 60.42 H new ATOM 0 HH22 ARG A 60 -8.024 -3.276 -7.753 1.00 60.42 H new ATOM 990 N PRO A 61 -13.693 4.765 -3.833 1.00 75.54 N ATOM 991 CA PRO A 61 -14.540 5.267 -2.729 1.00 34.31 C ATOM 992 C PRO A 61 -15.568 4.233 -2.228 1.00 32.24 C ATOM 993 O PRO A 61 -15.577 3.875 -1.047 1.00 22.32 O ATOM 994 CB PRO A 61 -15.248 6.493 -3.339 1.00 14.51 C ATOM 995 CG PRO A 61 -15.121 6.320 -4.817 1.00 50.13 C ATOM 996 CD PRO A 61 -13.817 5.607 -5.039 1.00 12.31 C ATOM 0 HA PRO A 61 -13.943 5.499 -1.847 1.00 34.31 H new ATOM 0 HB2 PRO A 61 -16.294 6.536 -3.036 1.00 14.51 H new ATOM 0 HB3 PRO A 61 -14.782 7.422 -3.009 1.00 14.51 H new ATOM 0 HG2 PRO A 61 -15.955 5.742 -5.215 1.00 50.13 H new ATOM 0 HG3 PRO A 61 -15.130 7.284 -5.325 1.00 50.13 H new ATOM 0 HD2 PRO A 61 -13.834 5.008 -5.950 1.00 12.31 H new ATOM 0 HD3 PRO A 61 -12.985 6.305 -5.132 1.00 12.31 H new ATOM 1004 N GLU A 62 -16.427 3.758 -3.128 1.00 52.52 N ATOM 1005 CA GLU A 62 -17.470 2.782 -2.779 1.00 14.24 C ATOM 1006 C GLU A 62 -16.871 1.447 -2.303 1.00 11.12 C ATOM 1007 O GLU A 62 -17.363 0.827 -1.359 1.00 14.40 O ATOM 1008 CB GLU A 62 -18.370 2.536 -3.995 1.00 63.40 C ATOM 1009 CG GLU A 62 -17.623 1.959 -5.193 1.00 13.34 C ATOM 1010 CD GLU A 62 -18.519 1.709 -6.387 1.00 62.34 C ATOM 1011 OE1 GLU A 62 -19.180 0.652 -6.423 1.00 33.51 O ATOM 1012 OE2 GLU A 62 -18.557 2.563 -7.295 1.00 51.42 O ATOM 0 H GLU A 62 -16.425 4.032 -4.111 1.00 52.52 H new ATOM 0 HA GLU A 62 -18.053 3.197 -1.957 1.00 14.24 H new ATOM 0 HB2 GLU A 62 -19.172 1.853 -3.713 1.00 63.40 H new ATOM 0 HB3 GLU A 62 -18.839 3.476 -4.287 1.00 63.40 H new ATOM 0 HG2 GLU A 62 -16.826 2.645 -5.481 1.00 13.34 H new ATOM 0 HG3 GLU A 62 -17.148 1.023 -4.901 1.00 13.34 H new ATOM 1019 N LYS A 63 -15.802 1.008 -2.967 1.00 14.32 N ATOM 1020 CA LYS A 63 -15.156 -0.266 -2.634 1.00 33.23 C ATOM 1021 C LYS A 63 -14.244 -0.135 -1.405 1.00 14.13 C ATOM 1022 O LYS A 63 -13.864 -1.138 -0.802 1.00 43.33 O ATOM 1023 CB LYS A 63 -14.353 -0.786 -3.836 1.00 71.35 C ATOM 1024 CG LYS A 63 -15.196 -1.082 -5.078 1.00 45.41 C ATOM 1025 CD LYS A 63 -16.303 -2.096 -4.787 1.00 62.04 C ATOM 1026 CE LYS A 63 -16.984 -2.590 -6.062 1.00 42.31 C ATOM 1027 NZ LYS A 63 -17.638 -1.495 -6.832 1.00 52.24 N ATOM 0 H LYS A 63 -15.364 1.513 -3.737 1.00 14.32 H new ATOM 0 HA LYS A 63 -15.942 -0.981 -2.391 1.00 33.23 H new ATOM 0 HB2 LYS A 63 -13.592 -0.050 -4.095 1.00 71.35 H new ATOM 0 HB3 LYS A 63 -13.829 -1.696 -3.542 1.00 71.35 H new ATOM 0 HG2 LYS A 63 -15.639 -0.156 -5.445 1.00 45.41 H new ATOM 0 HG3 LYS A 63 -14.553 -1.464 -5.871 1.00 45.41 H new ATOM 0 HD2 LYS A 63 -15.883 -2.946 -4.249 1.00 62.04 H new ATOM 0 HD3 LYS A 63 -17.047 -1.641 -4.133 1.00 62.04 H new ATOM 0 HE2 LYS A 63 -16.245 -3.082 -6.695 1.00 42.31 H new ATOM 0 HE3 LYS A 63 -17.731 -3.340 -5.802 1.00 42.31 H new ATOM 0 HZ1 LYS A 63 -18.275 -1.904 -7.545 1.00 52.24 H new ATOM 0 HZ2 LYS A 63 -18.185 -0.893 -6.184 1.00 52.24 H new ATOM 0 HZ3 LYS A 63 -16.911 -0.922 -7.306 1.00 52.24 H new ATOM 1041 N ARG A 64 -13.898 1.107 -1.044 1.00 5.30 N ATOM 1042 CA ARG A 64 -13.046 1.390 0.125 1.00 24.11 C ATOM 1043 C ARG A 64 -11.645 0.769 -0.030 1.00 51.10 C ATOM 1044 O ARG A 64 -10.962 0.482 0.954 1.00 4.14 O ATOM 1045 CB ARG A 64 -13.734 0.894 1.411 1.00 2.23 C ATOM 1046 CG ARG A 64 -15.104 1.532 1.651 1.00 3.10 C ATOM 1047 CD ARG A 64 -15.836 0.903 2.831 1.00 11.22 C ATOM 1048 NE ARG A 64 -15.116 1.068 4.093 1.00 14.33 N ATOM 1049 CZ ARG A 64 -15.223 0.256 5.113 1.00 44.14 C ATOM 1050 NH1 ARG A 64 -16.004 -0.775 5.058 1.00 11.13 N ATOM 1051 NH2 ARG A 64 -14.554 0.489 6.193 1.00 62.04 N ATOM 0 H ARG A 64 -14.197 1.942 -1.548 1.00 5.30 H new ATOM 0 HA ARG A 64 -12.911 2.469 0.194 1.00 24.11 H new ATOM 0 HB2 ARG A 64 -13.850 -0.189 1.358 1.00 2.23 H new ATOM 0 HB3 ARG A 64 -13.089 1.104 2.264 1.00 2.23 H new ATOM 0 HG2 ARG A 64 -14.979 2.600 1.831 1.00 3.10 H new ATOM 0 HG3 ARG A 64 -15.712 1.430 0.752 1.00 3.10 H new ATOM 0 HD2 ARG A 64 -16.826 1.351 2.920 1.00 11.22 H new ATOM 0 HD3 ARG A 64 -15.984 -0.159 2.638 1.00 11.22 H new ATOM 0 HE ARG A 64 -14.490 1.868 4.184 1.00 14.33 H new ATOM 0 HH11 ARG A 64 -16.544 -0.961 4.213 1.00 11.13 H new ATOM 0 HH12 ARG A 64 -16.079 -1.401 5.860 1.00 11.13 H new ATOM 0 HH21 ARG A 64 -13.944 1.305 6.249 1.00 62.04 H new ATOM 0 HH22 ARG A 64 -14.636 -0.143 6.990 1.00 62.04 H new ATOM 1065 N GLU A 65 -11.218 0.593 -1.281 1.00 12.43 N ATOM 1066 CA GLU A 65 -9.907 0.010 -1.596 1.00 42.24 C ATOM 1067 C GLU A 65 -8.982 1.049 -2.251 1.00 50.30 C ATOM 1068 O GLU A 65 -9.345 1.678 -3.247 1.00 61.00 O ATOM 1069 CB GLU A 65 -10.068 -1.188 -2.547 1.00 11.31 C ATOM 1070 CG GLU A 65 -10.935 -2.319 -2.003 1.00 21.21 C ATOM 1071 CD GLU A 65 -11.103 -3.454 -3.004 1.00 52.43 C ATOM 1072 OE1 GLU A 65 -10.174 -4.276 -3.140 1.00 42.23 O ATOM 1073 OE2 GLU A 65 -12.165 -3.531 -3.658 1.00 3.52 O ATOM 0 H GLU A 65 -11.766 0.848 -2.103 1.00 12.43 H new ATOM 0 HA GLU A 65 -9.460 -0.322 -0.659 1.00 42.24 H new ATOM 0 HB2 GLU A 65 -10.499 -0.836 -3.484 1.00 11.31 H new ATOM 0 HB3 GLU A 65 -9.080 -1.585 -2.780 1.00 11.31 H new ATOM 0 HG2 GLU A 65 -10.488 -2.708 -1.088 1.00 21.21 H new ATOM 0 HG3 GLU A 65 -11.916 -1.925 -1.736 1.00 21.21 H new ATOM 1080 N ILE A 66 -7.792 1.233 -1.688 1.00 22.23 N ATOM 1081 CA ILE A 66 -6.775 2.112 -2.281 1.00 24.33 C ATOM 1082 C ILE A 66 -5.542 1.295 -2.700 1.00 55.54 C ATOM 1083 O ILE A 66 -4.875 0.696 -1.859 1.00 53.14 O ATOM 1084 CB ILE A 66 -6.345 3.230 -1.294 1.00 21.12 C ATOM 1085 CG1 ILE A 66 -7.570 4.053 -0.850 1.00 22.12 C ATOM 1086 CG2 ILE A 66 -5.289 4.135 -1.933 1.00 23.10 C ATOM 1087 CD1 ILE A 66 -7.244 5.162 0.132 1.00 33.13 C ATOM 0 H ILE A 66 -7.502 0.786 -0.818 1.00 22.23 H new ATOM 0 HA ILE A 66 -7.218 2.581 -3.160 1.00 24.33 H new ATOM 0 HB ILE A 66 -5.905 2.764 -0.413 1.00 21.12 H new ATOM 0 HG12 ILE A 66 -8.041 4.489 -1.731 1.00 22.12 H new ATOM 0 HG13 ILE A 66 -8.300 3.383 -0.396 1.00 22.12 H new ATOM 0 HG21 ILE A 66 -5.000 4.913 -1.226 1.00 23.10 H new ATOM 0 HG22 ILE A 66 -4.414 3.542 -2.198 1.00 23.10 H new ATOM 0 HG23 ILE A 66 -5.700 4.596 -2.831 1.00 23.10 H new ATOM 0 HD11 ILE A 66 -8.158 5.695 0.396 1.00 33.13 H new ATOM 0 HD12 ILE A 66 -6.801 4.733 1.031 1.00 33.13 H new ATOM 0 HD13 ILE A 66 -6.538 5.856 -0.324 1.00 33.13 H new ATOM 1099 N ASP A 67 -5.237 1.273 -3.994 1.00 71.12 N ATOM 1100 CA ASP A 67 -4.123 0.471 -4.510 1.00 65.43 C ATOM 1101 C ASP A 67 -2.792 1.227 -4.394 1.00 74.11 C ATOM 1102 O ASP A 67 -2.718 2.419 -4.689 1.00 2.31 O ATOM 1103 CB ASP A 67 -4.377 0.101 -5.973 1.00 44.42 C ATOM 1104 CG ASP A 67 -5.652 -0.704 -6.156 1.00 55.12 C ATOM 1105 OD1 ASP A 67 -5.681 -1.882 -5.745 1.00 14.40 O ATOM 1106 OD2 ASP A 67 -6.627 -0.167 -6.727 1.00 41.54 O ATOM 0 H ASP A 67 -5.742 1.799 -4.707 1.00 71.12 H new ATOM 0 HA ASP A 67 -4.056 -0.436 -3.909 1.00 65.43 H new ATOM 0 HB2 ASP A 67 -4.437 1.011 -6.570 1.00 44.42 H new ATOM 0 HB3 ASP A 67 -3.531 -0.473 -6.351 1.00 44.42 H new ATOM 1111 N PHE A 68 -1.742 0.530 -3.962 1.00 55.41 N ATOM 1112 CA PHE A 68 -0.418 1.146 -3.801 1.00 14.42 C ATOM 1113 C PHE A 68 0.624 0.549 -4.759 1.00 50.41 C ATOM 1114 O PHE A 68 0.540 -0.615 -5.150 1.00 62.42 O ATOM 1115 CB PHE A 68 0.076 0.999 -2.355 1.00 51.11 C ATOM 1116 CG PHE A 68 -0.741 1.768 -1.347 1.00 74.51 C ATOM 1117 CD1 PHE A 68 -1.111 3.082 -1.595 1.00 34.32 C ATOM 1118 CD2 PHE A 68 -1.124 1.185 -0.148 1.00 14.30 C ATOM 1119 CE1 PHE A 68 -1.847 3.796 -0.672 1.00 62.15 C ATOM 1120 CE2 PHE A 68 -1.862 1.897 0.777 1.00 63.22 C ATOM 1121 CZ PHE A 68 -2.224 3.202 0.515 1.00 64.13 C ATOM 0 H PHE A 68 -1.778 -0.459 -3.717 1.00 55.41 H new ATOM 0 HA PHE A 68 -0.534 2.202 -4.045 1.00 14.42 H new ATOM 0 HB2 PHE A 68 0.068 -0.057 -2.085 1.00 51.11 H new ATOM 0 HB3 PHE A 68 1.112 1.334 -2.300 1.00 51.11 H new ATOM 0 HD1 PHE A 68 -0.819 3.552 -2.523 1.00 34.32 H new ATOM 0 HD2 PHE A 68 -0.842 0.164 0.064 1.00 14.30 H new ATOM 0 HE1 PHE A 68 -2.128 4.818 -0.878 1.00 62.15 H new ATOM 0 HE2 PHE A 68 -2.156 1.432 1.706 1.00 63.22 H new ATOM 0 HZ PHE A 68 -2.802 3.758 1.238 1.00 64.13 H new ATOM 1131 N LYS A 69 1.606 1.372 -5.119 1.00 73.13 N ATOM 1132 CA LYS A 69 2.724 0.960 -5.975 1.00 41.33 C ATOM 1133 C LYS A 69 4.061 1.313 -5.307 1.00 64.12 C ATOM 1134 O LYS A 69 4.176 2.347 -4.645 1.00 1.42 O ATOM 1135 CB LYS A 69 2.623 1.669 -7.332 1.00 53.54 C ATOM 1136 CG LYS A 69 3.723 1.295 -8.324 1.00 23.32 C ATOM 1137 CD LYS A 69 3.685 2.184 -9.566 1.00 61.11 C ATOM 1138 CE LYS A 69 3.934 3.646 -9.211 1.00 24.21 C ATOM 1139 NZ LYS A 69 3.802 4.542 -10.389 1.00 45.10 N ATOM 0 H LYS A 69 1.652 2.348 -4.826 1.00 73.13 H new ATOM 0 HA LYS A 69 2.677 -0.119 -6.124 1.00 41.33 H new ATOM 0 HB2 LYS A 69 1.655 1.438 -7.777 1.00 53.54 H new ATOM 0 HB3 LYS A 69 2.650 2.746 -7.168 1.00 53.54 H new ATOM 0 HG2 LYS A 69 4.696 1.385 -7.841 1.00 23.32 H new ATOM 0 HG3 LYS A 69 3.609 0.252 -8.619 1.00 23.32 H new ATOM 0 HD2 LYS A 69 4.438 1.848 -10.279 1.00 61.11 H new ATOM 0 HD3 LYS A 69 2.716 2.087 -10.056 1.00 61.11 H new ATOM 0 HE2 LYS A 69 3.228 3.956 -8.440 1.00 24.21 H new ATOM 0 HE3 LYS A 69 4.933 3.750 -8.788 1.00 24.21 H new ATOM 0 HZ1 LYS A 69 3.443 5.468 -10.082 1.00 45.10 H new ATOM 0 HZ2 LYS A 69 4.732 4.663 -10.839 1.00 45.10 H new ATOM 0 HZ3 LYS A 69 3.139 4.122 -11.072 1.00 45.10 H new ATOM 1153 N TYR A 70 5.076 0.473 -5.499 1.00 73.32 N ATOM 1154 CA TYR A 70 6.389 0.701 -4.887 1.00 14.21 C ATOM 1155 C TYR A 70 7.269 1.584 -5.780 1.00 14.04 C ATOM 1156 O TYR A 70 7.607 1.215 -6.905 1.00 2.24 O ATOM 1157 CB TYR A 70 7.093 -0.638 -4.622 1.00 45.24 C ATOM 1158 CG TYR A 70 8.475 -0.504 -3.992 1.00 61.45 C ATOM 1159 CD1 TYR A 70 8.639 -0.475 -2.610 1.00 65.31 C ATOM 1160 CD2 TYR A 70 9.615 -0.411 -4.785 1.00 72.40 C ATOM 1161 CE1 TYR A 70 9.895 -0.358 -2.043 1.00 72.32 C ATOM 1162 CE2 TYR A 70 10.871 -0.296 -4.222 1.00 24.54 C ATOM 1163 CZ TYR A 70 11.005 -0.268 -2.853 1.00 13.04 C ATOM 1164 OH TYR A 70 12.256 -0.163 -2.291 1.00 45.31 O ATOM 0 H TYR A 70 5.018 -0.370 -6.071 1.00 73.32 H new ATOM 0 HA TYR A 70 6.232 1.218 -3.940 1.00 14.21 H new ATOM 0 HB2 TYR A 70 6.465 -1.243 -3.968 1.00 45.24 H new ATOM 0 HB3 TYR A 70 7.186 -1.179 -5.564 1.00 45.24 H new ATOM 0 HD1 TYR A 70 7.772 -0.545 -1.970 1.00 65.31 H new ATOM 0 HD2 TYR A 70 9.516 -0.429 -5.860 1.00 72.40 H new ATOM 0 HE1 TYR A 70 10.005 -0.337 -0.969 1.00 72.32 H new ATOM 0 HE2 TYR A 70 11.744 -0.228 -4.854 1.00 24.54 H new ATOM 0 HH TYR A 70 12.930 -0.110 -3.000 1.00 45.31 H new ATOM 1174 N ILE A 71 7.637 2.751 -5.268 1.00 24.45 N ATOM 1175 CA ILE A 71 8.502 3.686 -5.992 1.00 12.53 C ATOM 1176 C ILE A 71 9.895 3.784 -5.338 1.00 4.32 C ATOM 1177 O ILE A 71 10.009 3.917 -4.116 1.00 0.12 O ATOM 1178 CB ILE A 71 7.854 5.094 -6.055 1.00 54.43 C ATOM 1179 CG1 ILE A 71 7.462 5.567 -4.642 1.00 52.32 C ATOM 1180 CG2 ILE A 71 6.635 5.080 -6.982 1.00 15.24 C ATOM 1181 CD1 ILE A 71 6.778 6.917 -4.611 1.00 75.31 C ATOM 0 H ILE A 71 7.349 3.079 -4.346 1.00 24.45 H new ATOM 0 HA ILE A 71 8.623 3.302 -7.005 1.00 12.53 H new ATOM 0 HB ILE A 71 8.582 5.796 -6.461 1.00 54.43 H new ATOM 0 HG12 ILE A 71 6.801 4.826 -4.193 1.00 52.32 H new ATOM 0 HG13 ILE A 71 8.358 5.611 -4.023 1.00 52.32 H new ATOM 0 HG21 ILE A 71 6.192 6.075 -7.015 1.00 15.24 H new ATOM 0 HG22 ILE A 71 6.944 4.787 -7.985 1.00 15.24 H new ATOM 0 HG23 ILE A 71 5.900 4.368 -6.606 1.00 15.24 H new ATOM 0 HD11 ILE A 71 6.535 7.178 -3.581 1.00 75.31 H new ATOM 0 HD12 ILE A 71 7.444 7.672 -5.029 1.00 75.31 H new ATOM 0 HD13 ILE A 71 5.862 6.875 -5.201 1.00 75.31 H new ATOM 1193 N PRO A 72 10.979 3.692 -6.135 1.00 32.12 N ATOM 1194 CA PRO A 72 12.358 3.827 -5.628 1.00 50.44 C ATOM 1195 C PRO A 72 12.694 5.275 -5.220 1.00 72.11 C ATOM 1196 O PRO A 72 13.506 5.947 -5.860 1.00 14.52 O ATOM 1197 CB PRO A 72 13.232 3.371 -6.819 1.00 22.31 C ATOM 1198 CG PRO A 72 12.283 2.753 -7.800 1.00 2.32 C ATOM 1199 CD PRO A 72 10.962 3.435 -7.581 1.00 21.31 C ATOM 0 HA PRO A 72 12.519 3.239 -4.725 1.00 50.44 H new ATOM 0 HB2 PRO A 72 13.761 4.214 -7.263 1.00 22.31 H new ATOM 0 HB3 PRO A 72 13.988 2.654 -6.499 1.00 22.31 H new ATOM 0 HG2 PRO A 72 12.631 2.895 -8.823 1.00 2.32 H new ATOM 0 HG3 PRO A 72 12.199 1.678 -7.638 1.00 2.32 H new ATOM 0 HD2 PRO A 72 10.880 4.357 -8.157 1.00 21.31 H new ATOM 0 HD3 PRO A 72 10.124 2.801 -7.872 1.00 21.31 H new ATOM 1207 N LEU A 73 12.055 5.756 -4.157 1.00 11.45 N ATOM 1208 CA LEU A 73 12.260 7.128 -3.684 1.00 51.11 C ATOM 1209 C LEU A 73 13.200 7.135 -2.466 1.00 23.13 C ATOM 1210 O LEU A 73 12.857 6.619 -1.400 1.00 31.50 O ATOM 1211 CB LEU A 73 10.898 7.768 -3.336 1.00 72.22 C ATOM 1212 CG LEU A 73 10.850 9.313 -3.311 1.00 71.23 C ATOM 1213 CD1 LEU A 73 9.406 9.801 -3.229 1.00 71.44 C ATOM 1214 CD2 LEU A 73 11.664 9.883 -2.149 1.00 75.21 C ATOM 0 H LEU A 73 11.389 5.217 -3.604 1.00 11.45 H new ATOM 0 HA LEU A 73 12.727 7.716 -4.474 1.00 51.11 H new ATOM 0 HB2 LEU A 73 10.161 7.415 -4.057 1.00 72.22 H new ATOM 0 HB3 LEU A 73 10.588 7.401 -2.358 1.00 72.22 H new ATOM 0 HG LEU A 73 11.295 9.670 -4.239 1.00 71.23 H new ATOM 0 HD11 LEU A 73 9.391 10.891 -3.212 1.00 71.44 H new ATOM 0 HD12 LEU A 73 8.851 9.444 -4.097 1.00 71.44 H new ATOM 0 HD13 LEU A 73 8.943 9.418 -2.319 1.00 71.44 H new ATOM 0 HD21 LEU A 73 11.607 10.971 -2.164 1.00 75.21 H new ATOM 0 HD22 LEU A 73 11.262 9.511 -1.206 1.00 75.21 H new ATOM 0 HD23 LEU A 73 12.704 9.573 -2.247 1.00 75.21 H new ATOM 1226 N GLU A 74 14.385 7.713 -2.638 1.00 11.23 N ATOM 1227 CA GLU A 74 15.385 7.793 -1.562 1.00 55.21 C ATOM 1228 C GLU A 74 15.680 9.258 -1.159 1.00 20.23 C ATOM 1229 O GLU A 74 15.404 9.628 0.004 1.00 38.24 O ATOM 1230 CB GLU A 74 16.679 7.074 -1.983 1.00 72.14 C ATOM 1231 CG GLU A 74 17.234 7.518 -3.335 1.00 5.03 C ATOM 1232 CD GLU A 74 18.625 6.971 -3.605 1.00 63.24 C ATOM 1233 OE1 GLU A 74 19.577 7.402 -2.918 1.00 2.54 O ATOM 1234 OE2 GLU A 74 18.779 6.119 -4.504 1.00 31.41 O ATOM 0 H GLU A 74 14.684 8.137 -3.516 1.00 11.23 H new ATOM 0 HA GLU A 74 14.971 7.293 -0.686 1.00 55.21 H new ATOM 0 HB2 GLU A 74 17.438 7.241 -1.219 1.00 72.14 H new ATOM 0 HB3 GLU A 74 16.490 6.001 -2.016 1.00 72.14 H new ATOM 0 HG2 GLU A 74 16.559 7.190 -4.126 1.00 5.03 H new ATOM 0 HG3 GLU A 74 17.263 8.607 -3.372 1.00 5.03 H new TER 1241 GLU A 74