USER MOD reduce.3.24.130724 H: found=0, std=0, add=994, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 994 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 45 MET CE :methyl 146:sc= -1.04 (180deg=-2.49) USER MOD Set 1.2: A 90 TYR OH : rot 150:sc= -0.144 USER MOD Set 2.1: A 9 GLN : amide:sc= 0.258 K(o=0.5,f=0) USER MOD Set 2.2: A 22 THR OG1 : rot 180:sc= 0.244 USER MOD Set 3.1: A 13 THR OG1 : rot 180:sc= 0.344 USER MOD Set 3.2: A 18 THR OG1 : rot -90:sc= 0.367 USER MOD Single : A 1 MET CE :methyl -158:sc= -0.186 (180deg=-0.824) USER MOD Single : A 1 MET N :NH3+ -170:sc=-0.00669 (180deg=-0.123) USER MOD Single : A 2 SER OG : rot 180:sc= 0.116 USER MOD Single : A 4 LYS NZ :NH3+ -126:sc= -0.37 (180deg=-1.2!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= -0.289 K(o=-0.29,f=-2.9!) USER MOD Single : A 17 LYS NZ :NH3+ 136:sc= 0.755 (180deg=-0.184) USER MOD Single : A 19 TYR OH : rot 180:sc= -0.178 USER MOD Single : A 23 TYR OH : rot 180:sc= -0.947 USER MOD Single : A 24 GLN : amide:sc= -0.994 K(o=-0.99,f=-0.47) USER MOD Single : A 26 TYR OH : rot 180:sc=-0.00862 USER MOD Single : A 34 LYS NZ :NH3+ 162:sc= 0.744 (180deg=0.549) USER MOD Single : A 36 LYS NZ :NH3+ -153:sc= 0.0317 (180deg=-0.118) USER MOD Single : A 38 LYS NZ :NH3+ 177:sc= 0.659 (180deg=0.655) USER MOD Single : A 39 LYS NZ :NH3+ 145:sc= -0.768 (180deg=-2.41!) USER MOD Single : A 42 ASN : amide:sc= 0.326 X(o=0.33,f=0) USER MOD Single : A 49 LYS NZ :NH3+ -159:sc= 0.146 (180deg=0.0184) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0628) USER MOD Single : A 64 HIS : no HE2:sc= -0.823 K(o=-0.82,f=-3.3!) USER MOD Single : A 65 SER OG : rot 140:sc= -0.0158 USER MOD Single : A 71 LYS NZ :NH3+ 178:sc= 0.192 (180deg=0.186) USER MOD Single : A 72 LYS NZ :NH3+ -174:sc= 0.667 (180deg=0.65) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ -137:sc= 0.986 (180deg=-0.123) USER MOD Single : A 82 ASN : amide:sc= -2.39! K(o=-2.4!,f=-0.48) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= -0.166 K(o=-0.17,f=-1) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 180:sc= -0.593 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 GLN : amide:sc= 0.217 X(o=0.22,f=0) USER MOD Single : A 115 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 116 HIS : no HE2:sc= 0.232 K(o=0.23,f=-1.2) USER MOD Single : A 117 HIS : no HD1:sc= -0.533 K(o=-0.53,f=-0.0074) USER MOD Single : A 118 HIS : no HE2:sc= 0.0405 K(o=0.041,f=-1.6) USER MOD Single : A 119 HIS : no HE2:sc= 0.239 K(o=0.24,f=-1.6) USER MOD Single : A 120 HIS : no HE2:sc= 0.0919 K(o=0.092,f=-2.5) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 18.642 -1.996 -1.804 1.00 0.00 N ATOM 2 CA MET A 1 19.758 -2.185 -2.766 1.00 52.33 C ATOM 3 C MET A 1 19.822 -3.662 -3.168 1.00 44.15 C ATOM 4 O MET A 1 19.530 -4.022 -4.311 1.00 44.00 O ATOM 5 CB MET A 1 21.106 -1.722 -2.149 1.00 3.03 C ATOM 6 CG MET A 1 21.159 -0.250 -1.732 1.00 10.14 C ATOM 7 SD MET A 1 22.725 0.193 -0.946 1.00 71.32 S ATOM 8 CE MET A 1 22.767 -0.928 0.461 1.00 73.51 C ATOM 0 H1 MET A 1 18.481 -0.979 -1.655 1.00 0.00 H new ATOM 0 H2 MET A 1 17.778 -2.432 -2.185 1.00 0.00 H new ATOM 0 H3 MET A 1 18.885 -2.444 -0.898 1.00 0.00 H new ATOM 0 HA MET A 1 19.579 -1.575 -3.652 1.00 52.33 H new ATOM 0 HB2 MET A 1 21.319 -2.339 -1.276 1.00 3.03 H new ATOM 0 HB3 MET A 1 21.901 -1.908 -2.871 1.00 3.03 H new ATOM 0 HG2 MET A 1 21.007 0.378 -2.610 1.00 10.14 H new ATOM 0 HG3 MET A 1 20.340 -0.041 -1.044 1.00 10.14 H new ATOM 0 HE1 MET A 1 23.433 -0.527 1.226 1.00 73.51 H new ATOM 0 HE2 MET A 1 21.763 -1.033 0.873 1.00 73.51 H new ATOM 0 HE3 MET A 1 23.131 -1.903 0.138 1.00 73.51 H new ATOM 20 N SER A 2 20.216 -4.506 -2.205 1.00 14.01 N ATOM 21 CA SER A 2 20.171 -5.972 -2.333 1.00 60.11 C ATOM 22 C SER A 2 18.818 -6.476 -1.758 1.00 3.32 C ATOM 23 O SER A 2 17.926 -5.656 -1.488 1.00 3.22 O ATOM 24 CB SER A 2 21.399 -6.567 -1.599 1.00 64.54 C ATOM 25 OG SER A 2 21.492 -7.974 -1.753 1.00 25.44 O ATOM 0 H SER A 2 20.579 -4.189 -1.306 1.00 14.01 H new ATOM 0 HA SER A 2 20.224 -6.293 -3.373 1.00 60.11 H new ATOM 0 HB2 SER A 2 22.308 -6.102 -1.981 1.00 64.54 H new ATOM 0 HB3 SER A 2 21.338 -6.324 -0.538 1.00 64.54 H new ATOM 0 HG SER A 2 22.281 -8.304 -1.275 1.00 25.44 H new ATOM 31 N GLY A 3 18.663 -7.813 -1.595 1.00 24.34 N ATOM 32 CA GLY A 3 17.425 -8.412 -1.074 1.00 1.33 C ATOM 33 C GLY A 3 17.032 -7.862 0.295 1.00 54.41 C ATOM 34 O GLY A 3 17.745 -8.076 1.281 1.00 51.01 O ATOM 0 H GLY A 3 19.388 -8.494 -1.820 1.00 24.34 H new ATOM 0 HA2 GLY A 3 16.614 -8.231 -1.780 1.00 1.33 H new ATOM 0 HA3 GLY A 3 17.551 -9.492 -1.004 1.00 1.33 H new ATOM 38 N LYS A 4 15.897 -7.148 0.340 1.00 34.14 N ATOM 39 CA LYS A 4 15.463 -6.389 1.520 1.00 53.12 C ATOM 40 C LYS A 4 13.958 -6.606 1.769 1.00 54.30 C ATOM 41 O LYS A 4 13.153 -6.562 0.831 1.00 13.22 O ATOM 42 CB LYS A 4 15.793 -4.877 1.304 1.00 4.54 C ATOM 43 CG LYS A 4 15.722 -3.981 2.575 1.00 63.24 C ATOM 44 CD LYS A 4 17.056 -3.867 3.385 1.00 71.32 C ATOM 45 CE LYS A 4 17.515 -5.161 4.109 1.00 12.11 C ATOM 46 NZ LYS A 4 18.294 -6.084 3.239 1.00 1.33 N ATOM 0 H LYS A 4 15.251 -7.081 -0.447 1.00 34.14 H new ATOM 0 HA LYS A 4 15.996 -6.740 2.404 1.00 53.12 H new ATOM 0 HB2 LYS A 4 16.796 -4.800 0.883 1.00 4.54 H new ATOM 0 HB3 LYS A 4 15.104 -4.476 0.561 1.00 4.54 H new ATOM 0 HG2 LYS A 4 15.410 -2.980 2.277 1.00 63.24 H new ATOM 0 HG3 LYS A 4 14.948 -4.374 3.234 1.00 63.24 H new ATOM 0 HD2 LYS A 4 17.847 -3.553 2.704 1.00 71.32 H new ATOM 0 HD3 LYS A 4 16.942 -3.077 4.128 1.00 71.32 H new ATOM 0 HE2 LYS A 4 18.122 -4.889 4.972 1.00 12.11 H new ATOM 0 HE3 LYS A 4 16.638 -5.686 4.489 1.00 12.11 H new ATOM 0 HZ1 LYS A 4 17.859 -7.028 3.257 1.00 1.33 H new ATOM 0 HZ2 LYS A 4 18.297 -5.722 2.264 1.00 1.33 H new ATOM 0 HZ3 LYS A 4 19.272 -6.147 3.587 1.00 1.33 H new ATOM 60 N LYS A 5 13.594 -6.856 3.042 1.00 2.24 N ATOM 61 CA LYS A 5 12.204 -7.109 3.455 1.00 14.11 C ATOM 62 C LYS A 5 11.584 -5.842 4.077 1.00 11.21 C ATOM 63 O LYS A 5 12.055 -5.343 5.106 1.00 2.21 O ATOM 64 CB LYS A 5 12.152 -8.265 4.488 1.00 72.41 C ATOM 65 CG LYS A 5 10.717 -8.680 4.922 1.00 42.33 C ATOM 66 CD LYS A 5 10.704 -9.563 6.196 1.00 45.41 C ATOM 67 CE LYS A 5 11.233 -8.814 7.435 1.00 12.03 C ATOM 68 NZ LYS A 5 11.200 -9.653 8.665 1.00 53.20 N ATOM 0 H LYS A 5 14.260 -6.888 3.814 1.00 2.24 H new ATOM 0 HA LYS A 5 11.633 -7.388 2.569 1.00 14.11 H new ATOM 0 HB2 LYS A 5 12.656 -9.135 4.066 1.00 72.41 H new ATOM 0 HB3 LYS A 5 12.714 -7.969 5.374 1.00 72.41 H new ATOM 0 HG2 LYS A 5 10.124 -7.783 5.101 1.00 42.33 H new ATOM 0 HG3 LYS A 5 10.238 -9.221 4.106 1.00 42.33 H new ATOM 0 HD2 LYS A 5 9.687 -9.904 6.388 1.00 45.41 H new ATOM 0 HD3 LYS A 5 11.312 -10.452 6.025 1.00 45.41 H new ATOM 0 HE2 LYS A 5 12.256 -8.488 7.249 1.00 12.03 H new ATOM 0 HE3 LYS A 5 10.636 -7.916 7.595 1.00 12.03 H new ATOM 0 HZ1 LYS A 5 11.565 -9.104 9.469 1.00 53.20 H new ATOM 0 HZ2 LYS A 5 10.221 -9.944 8.861 1.00 53.20 H new ATOM 0 HZ3 LYS A 5 11.791 -10.497 8.525 1.00 53.20 H new ATOM 82 N VAL A 6 10.544 -5.325 3.433 1.00 41.14 N ATOM 83 CA VAL A 6 9.630 -4.337 4.026 1.00 15.31 C ATOM 84 C VAL A 6 8.364 -5.079 4.464 1.00 1.52 C ATOM 85 O VAL A 6 7.894 -5.983 3.757 1.00 34.24 O ATOM 86 CB VAL A 6 9.271 -3.179 3.015 1.00 51.41 C ATOM 87 CG1 VAL A 6 8.752 -3.737 1.670 1.00 72.31 C ATOM 88 CG2 VAL A 6 8.257 -2.180 3.633 1.00 53.51 C ATOM 0 H VAL A 6 10.303 -5.578 2.475 1.00 41.14 H new ATOM 0 HA VAL A 6 10.116 -3.862 4.878 1.00 15.31 H new ATOM 0 HB VAL A 6 10.192 -2.634 2.811 1.00 51.41 H new ATOM 0 HG11 VAL A 6 8.515 -2.910 1.000 1.00 72.31 H new ATOM 0 HG12 VAL A 6 9.519 -4.364 1.216 1.00 72.31 H new ATOM 0 HG13 VAL A 6 7.855 -4.331 1.844 1.00 72.31 H new ATOM 0 HG21 VAL A 6 8.032 -1.396 2.910 1.00 53.51 H new ATOM 0 HG22 VAL A 6 7.339 -2.707 3.894 1.00 53.51 H new ATOM 0 HG23 VAL A 6 8.686 -1.734 4.530 1.00 53.51 H new ATOM 98 N GLU A 7 7.829 -4.736 5.636 1.00 72.05 N ATOM 99 CA GLU A 7 6.559 -5.298 6.100 1.00 42.50 C ATOM 100 C GLU A 7 5.476 -4.231 5.926 1.00 5.22 C ATOM 101 O GLU A 7 5.489 -3.182 6.584 1.00 70.20 O ATOM 102 CB GLU A 7 6.690 -5.841 7.548 1.00 15.10 C ATOM 103 CG GLU A 7 7.601 -7.093 7.616 1.00 15.33 C ATOM 104 CD GLU A 7 7.707 -7.737 9.008 1.00 14.44 C ATOM 105 OE1 GLU A 7 6.748 -8.406 9.436 1.00 33.04 O ATOM 106 OE2 GLU A 7 8.772 -7.628 9.650 1.00 2.02 O ATOM 0 H GLU A 7 8.255 -4.072 6.282 1.00 72.05 H new ATOM 0 HA GLU A 7 6.270 -6.164 5.505 1.00 42.50 H new ATOM 0 HB2 GLU A 7 7.096 -5.061 8.193 1.00 15.10 H new ATOM 0 HB3 GLU A 7 5.701 -6.090 7.933 1.00 15.10 H new ATOM 0 HG2 GLU A 7 7.225 -7.837 6.914 1.00 15.33 H new ATOM 0 HG3 GLU A 7 8.601 -6.816 7.282 1.00 15.33 H new ATOM 113 N VAL A 8 4.574 -4.531 4.980 1.00 31.20 N ATOM 114 CA VAL A 8 3.504 -3.653 4.515 1.00 4.14 C ATOM 115 C VAL A 8 2.197 -4.050 5.216 1.00 12.12 C ATOM 116 O VAL A 8 1.616 -5.101 4.920 1.00 73.41 O ATOM 117 CB VAL A 8 3.373 -3.769 2.941 1.00 11.22 C ATOM 118 CG1 VAL A 8 2.119 -3.048 2.391 1.00 51.53 C ATOM 119 CG2 VAL A 8 4.661 -3.245 2.252 1.00 24.34 C ATOM 0 H VAL A 8 4.575 -5.432 4.501 1.00 31.20 H new ATOM 0 HA VAL A 8 3.728 -2.614 4.759 1.00 4.14 H new ATOM 0 HB VAL A 8 3.250 -4.826 2.706 1.00 11.22 H new ATOM 0 HG11 VAL A 8 2.081 -3.160 1.307 1.00 51.53 H new ATOM 0 HG12 VAL A 8 1.224 -3.486 2.833 1.00 51.53 H new ATOM 0 HG13 VAL A 8 2.168 -1.989 2.644 1.00 51.53 H new ATOM 0 HG21 VAL A 8 4.556 -3.331 1.171 1.00 24.34 H new ATOM 0 HG22 VAL A 8 4.817 -2.200 2.519 1.00 24.34 H new ATOM 0 HG23 VAL A 8 5.516 -3.835 2.582 1.00 24.34 H new ATOM 129 N GLN A 9 1.754 -3.209 6.159 1.00 43.20 N ATOM 130 CA GLN A 9 0.566 -3.475 6.972 1.00 50.33 C ATOM 131 C GLN A 9 -0.619 -2.736 6.342 1.00 50.33 C ATOM 132 O GLN A 9 -0.744 -1.519 6.489 1.00 71.32 O ATOM 133 CB GLN A 9 0.807 -3.022 8.439 1.00 75.04 C ATOM 134 CG GLN A 9 2.076 -3.615 9.085 1.00 53.34 C ATOM 135 CD GLN A 9 2.302 -3.151 10.524 1.00 41.31 C ATOM 136 OE1 GLN A 9 2.976 -2.146 10.773 1.00 63.32 O ATOM 137 NE2 GLN A 9 1.734 -3.871 11.487 1.00 2.14 N ATOM 0 H GLN A 9 2.212 -2.324 6.378 1.00 43.20 H new ATOM 0 HA GLN A 9 0.350 -4.543 6.997 1.00 50.33 H new ATOM 0 HB2 GLN A 9 0.874 -1.934 8.465 1.00 75.04 H new ATOM 0 HB3 GLN A 9 -0.058 -3.302 9.040 1.00 75.04 H new ATOM 0 HG2 GLN A 9 2.008 -4.703 9.069 1.00 53.34 H new ATOM 0 HG3 GLN A 9 2.942 -3.341 8.483 1.00 53.34 H new ATOM 0 HE21 GLN A 9 1.183 -4.696 11.250 1.00 2.14 H new ATOM 0 HE22 GLN A 9 1.849 -3.598 12.463 1.00 2.14 H new ATOM 146 N VAL A 10 -1.464 -3.479 5.611 1.00 32.40 N ATOM 147 CA VAL A 10 -2.611 -2.914 4.881 1.00 45.44 C ATOM 148 C VAL A 10 -3.855 -2.993 5.775 1.00 13.42 C ATOM 149 O VAL A 10 -4.328 -4.085 6.087 1.00 15.12 O ATOM 150 CB VAL A 10 -2.857 -3.671 3.517 1.00 72.21 C ATOM 151 CG1 VAL A 10 -4.070 -3.088 2.747 1.00 44.43 C ATOM 152 CG2 VAL A 10 -1.581 -3.637 2.641 1.00 64.30 C ATOM 0 H VAL A 10 -1.372 -4.490 5.509 1.00 32.40 H new ATOM 0 HA VAL A 10 -2.397 -1.873 4.636 1.00 45.44 H new ATOM 0 HB VAL A 10 -3.091 -4.709 3.752 1.00 72.21 H new ATOM 0 HG11 VAL A 10 -4.206 -3.636 1.814 1.00 44.43 H new ATOM 0 HG12 VAL A 10 -4.968 -3.182 3.358 1.00 44.43 H new ATOM 0 HG13 VAL A 10 -3.890 -2.036 2.527 1.00 44.43 H new ATOM 0 HG21 VAL A 10 -1.768 -4.163 1.705 1.00 64.30 H new ATOM 0 HG22 VAL A 10 -1.313 -2.602 2.428 1.00 64.30 H new ATOM 0 HG23 VAL A 10 -0.762 -4.122 3.172 1.00 64.30 H new ATOM 162 N LYS A 11 -4.338 -1.818 6.203 1.00 61.51 N ATOM 163 CA LYS A 11 -5.507 -1.671 7.074 1.00 24.20 C ATOM 164 C LYS A 11 -6.563 -0.849 6.326 1.00 61.35 C ATOM 165 O LYS A 11 -6.441 0.374 6.220 1.00 34.44 O ATOM 166 CB LYS A 11 -5.083 -0.953 8.384 1.00 45.22 C ATOM 167 CG LYS A 11 -6.237 -0.696 9.376 1.00 1.41 C ATOM 168 CD LYS A 11 -5.794 0.072 10.642 1.00 3.52 C ATOM 169 CE LYS A 11 -5.219 1.463 10.328 1.00 43.32 C ATOM 170 NZ LYS A 11 -4.782 2.171 11.561 1.00 43.35 N ATOM 0 H LYS A 11 -3.916 -0.926 5.946 1.00 61.51 H new ATOM 0 HA LYS A 11 -5.921 -2.645 7.333 1.00 24.20 H new ATOM 0 HB2 LYS A 11 -4.320 -1.552 8.881 1.00 45.22 H new ATOM 0 HB3 LYS A 11 -4.622 0.001 8.128 1.00 45.22 H new ATOM 0 HG2 LYS A 11 -7.021 -0.131 8.872 1.00 1.41 H new ATOM 0 HG3 LYS A 11 -6.672 -1.651 9.672 1.00 1.41 H new ATOM 0 HD2 LYS A 11 -6.647 0.180 11.312 1.00 3.52 H new ATOM 0 HD3 LYS A 11 -5.044 -0.514 11.173 1.00 3.52 H new ATOM 0 HE2 LYS A 11 -4.373 1.362 9.648 1.00 43.32 H new ATOM 0 HE3 LYS A 11 -5.972 2.060 9.814 1.00 43.32 H new ATOM 0 HZ1 LYS A 11 -4.400 3.105 11.308 1.00 43.35 H new ATOM 0 HZ2 LYS A 11 -5.594 2.290 12.199 1.00 43.35 H new ATOM 0 HZ3 LYS A 11 -4.045 1.614 12.039 1.00 43.35 H new ATOM 184 N ILE A 12 -7.602 -1.517 5.810 1.00 3.02 N ATOM 185 CA ILE A 12 -8.608 -0.867 4.956 1.00 43.24 C ATOM 186 C ILE A 12 -10.010 -0.935 5.587 1.00 22.24 C ATOM 187 O ILE A 12 -10.535 -2.018 5.854 1.00 24.41 O ATOM 188 CB ILE A 12 -8.606 -1.462 3.495 1.00 42.53 C ATOM 189 CG1 ILE A 12 -9.720 -0.785 2.634 1.00 34.45 C ATOM 190 CG2 ILE A 12 -8.721 -3.008 3.486 1.00 62.31 C ATOM 191 CD1 ILE A 12 -9.737 -1.200 1.186 1.00 14.34 C ATOM 0 H ILE A 12 -7.770 -2.511 5.969 1.00 3.02 H new ATOM 0 HA ILE A 12 -8.333 0.185 4.877 1.00 43.24 H new ATOM 0 HB ILE A 12 -7.641 -1.233 3.043 1.00 42.53 H new ATOM 0 HG12 ILE A 12 -10.690 -1.014 3.075 1.00 34.45 H new ATOM 0 HG13 ILE A 12 -9.594 0.296 2.686 1.00 34.45 H new ATOM 0 HG21 ILE A 12 -8.715 -3.367 2.457 1.00 62.31 H new ATOM 0 HG22 ILE A 12 -7.878 -3.439 4.026 1.00 62.31 H new ATOM 0 HG23 ILE A 12 -9.651 -3.306 3.969 1.00 62.31 H new ATOM 0 HD11 ILE A 12 -10.542 -0.680 0.668 1.00 14.34 H new ATOM 0 HD12 ILE A 12 -8.784 -0.945 0.723 1.00 14.34 H new ATOM 0 HD13 ILE A 12 -9.897 -2.276 1.118 1.00 14.34 H new ATOM 203 N THR A 13 -10.617 0.247 5.802 1.00 44.45 N ATOM 204 CA THR A 13 -11.958 0.373 6.369 1.00 2.50 C ATOM 205 C THR A 13 -12.960 0.553 5.211 1.00 74.10 C ATOM 206 O THR A 13 -12.925 1.563 4.502 1.00 75.12 O ATOM 207 CB THR A 13 -12.034 1.584 7.357 1.00 62.31 C ATOM 208 OG1 THR A 13 -10.988 1.463 8.333 1.00 15.31 O ATOM 209 CG2 THR A 13 -13.390 1.657 8.081 1.00 1.51 C ATOM 0 H THR A 13 -10.182 1.143 5.583 1.00 44.45 H new ATOM 0 HA THR A 13 -12.203 -0.525 6.936 1.00 2.50 H new ATOM 0 HB THR A 13 -11.917 2.497 6.773 1.00 62.31 H new ATOM 0 HG1 THR A 13 -11.030 2.220 8.954 1.00 15.31 H new ATOM 0 HG21 THR A 13 -13.396 2.513 8.756 1.00 1.51 H new ATOM 0 HG22 THR A 13 -14.189 1.767 7.347 1.00 1.51 H new ATOM 0 HG23 THR A 13 -13.547 0.743 8.653 1.00 1.51 H new ATOM 217 N CYS A 14 -13.805 -0.463 5.015 1.00 32.22 N ATOM 218 CA CYS A 14 -14.844 -0.494 3.970 1.00 32.14 C ATOM 219 C CYS A 14 -16.211 -0.695 4.654 1.00 15.42 C ATOM 220 O CYS A 14 -16.426 -1.728 5.302 1.00 24.42 O ATOM 221 CB CYS A 14 -14.539 -1.648 2.994 1.00 54.20 C ATOM 222 SG CYS A 14 -15.457 -1.669 1.408 1.00 41.14 S ATOM 0 H CYS A 14 -13.789 -1.307 5.588 1.00 32.22 H new ATOM 0 HA CYS A 14 -14.861 0.438 3.405 1.00 32.14 H new ATOM 0 HB2 CYS A 14 -13.473 -1.626 2.767 1.00 54.20 H new ATOM 0 HB3 CYS A 14 -14.735 -2.588 3.510 1.00 54.20 H new ATOM 227 N ASN A 15 -17.097 0.326 4.527 1.00 0.21 N ATOM 228 CA ASN A 15 -18.473 0.339 5.082 1.00 1.23 C ATOM 229 C ASN A 15 -18.429 0.482 6.624 1.00 13.02 C ATOM 230 O ASN A 15 -18.740 1.552 7.165 1.00 43.22 O ATOM 231 CB ASN A 15 -19.301 -0.905 4.596 1.00 32.23 C ATOM 232 CG ASN A 15 -20.776 -0.936 5.044 1.00 60.14 C ATOM 233 OD1 ASN A 15 -21.133 -0.523 6.148 1.00 51.03 O ATOM 234 ND2 ASN A 15 -21.653 -1.425 4.182 1.00 0.32 N ATOM 0 H ASN A 15 -16.868 1.183 4.024 1.00 0.21 H new ATOM 0 HA ASN A 15 -19.001 1.211 4.698 1.00 1.23 H new ATOM 0 HB2 ASN A 15 -19.269 -0.938 3.507 1.00 32.23 H new ATOM 0 HB3 ASN A 15 -18.811 -1.809 4.956 1.00 32.23 H new ATOM 0 HD21 ASN A 15 -22.642 -1.464 4.428 1.00 0.32 H new ATOM 0 HD22 ASN A 15 -21.340 -1.763 3.272 1.00 0.32 H new ATOM 241 N GLY A 16 -18.033 -0.595 7.306 1.00 2.00 N ATOM 242 CA GLY A 16 -17.835 -0.599 8.762 1.00 20.41 C ATOM 243 C GLY A 16 -16.972 -1.774 9.204 1.00 62.43 C ATOM 244 O GLY A 16 -16.866 -2.064 10.400 1.00 15.55 O ATOM 0 H GLY A 16 -17.839 -1.494 6.864 1.00 2.00 H new ATOM 0 HA2 GLY A 16 -17.365 0.335 9.069 1.00 20.41 H new ATOM 0 HA3 GLY A 16 -18.802 -0.648 9.262 1.00 20.41 H new ATOM 248 N LYS A 17 -16.365 -2.473 8.223 1.00 14.24 N ATOM 249 CA LYS A 17 -15.449 -3.599 8.456 1.00 72.52 C ATOM 250 C LYS A 17 -14.022 -3.183 8.059 1.00 35.01 C ATOM 251 O LYS A 17 -13.789 -2.761 6.923 1.00 75.01 O ATOM 252 CB LYS A 17 -15.912 -4.836 7.623 1.00 35.41 C ATOM 253 CG LYS A 17 -17.312 -5.427 7.969 1.00 30.32 C ATOM 254 CD LYS A 17 -17.340 -6.397 9.194 1.00 23.45 C ATOM 255 CE LYS A 17 -17.153 -5.717 10.566 1.00 22.45 C ATOM 256 NZ LYS A 17 -18.185 -4.675 10.819 1.00 40.54 N ATOM 0 H LYS A 17 -16.502 -2.265 7.234 1.00 14.24 H new ATOM 0 HA LYS A 17 -15.458 -3.870 9.512 1.00 72.52 H new ATOM 0 HB2 LYS A 17 -15.911 -4.557 6.569 1.00 35.41 H new ATOM 0 HB3 LYS A 17 -15.170 -5.625 7.744 1.00 35.41 H new ATOM 0 HG2 LYS A 17 -17.999 -4.603 8.162 1.00 30.32 H new ATOM 0 HG3 LYS A 17 -17.690 -5.959 7.096 1.00 30.32 H new ATOM 0 HD2 LYS A 17 -18.291 -6.929 9.195 1.00 23.45 H new ATOM 0 HD3 LYS A 17 -16.557 -7.144 9.065 1.00 23.45 H new ATOM 0 HE2 LYS A 17 -17.198 -6.470 11.353 1.00 22.45 H new ATOM 0 HE3 LYS A 17 -16.162 -5.265 10.614 1.00 22.45 H new ATOM 0 HZ1 LYS A 17 -18.538 -4.765 11.793 1.00 40.54 H new ATOM 0 HZ2 LYS A 17 -17.766 -3.732 10.688 1.00 40.54 H new ATOM 0 HZ3 LYS A 17 -18.974 -4.799 10.152 1.00 40.54 H new ATOM 270 N THR A 18 -13.076 -3.302 9.005 1.00 33.11 N ATOM 271 CA THR A 18 -11.666 -2.938 8.799 1.00 24.41 C ATOM 272 C THR A 18 -10.812 -4.217 8.688 1.00 34.41 C ATOM 273 O THR A 18 -10.846 -5.074 9.576 1.00 3.12 O ATOM 274 CB THR A 18 -11.152 -2.026 9.960 1.00 0.33 C ATOM 275 OG1 THR A 18 -11.976 -0.851 10.043 1.00 73.30 O ATOM 276 CG2 THR A 18 -9.694 -1.594 9.764 1.00 72.22 C ATOM 0 H THR A 18 -13.271 -3.656 9.941 1.00 33.11 H new ATOM 0 HA THR A 18 -11.579 -2.373 7.871 1.00 24.41 H new ATOM 0 HB THR A 18 -11.207 -2.609 10.879 1.00 0.33 H new ATOM 0 HG1 THR A 18 -11.602 -0.148 9.472 1.00 73.30 H new ATOM 0 HG21 THR A 18 -9.386 -0.963 10.598 1.00 72.22 H new ATOM 0 HG22 THR A 18 -9.056 -2.476 9.722 1.00 72.22 H new ATOM 0 HG23 THR A 18 -9.602 -1.035 8.833 1.00 72.22 H new ATOM 284 N TYR A 19 -10.076 -4.343 7.575 1.00 4.34 N ATOM 285 CA TYR A 19 -9.258 -5.521 7.246 1.00 55.34 C ATOM 286 C TYR A 19 -7.777 -5.129 7.365 1.00 42.41 C ATOM 287 O TYR A 19 -7.243 -4.460 6.473 1.00 53.31 O ATOM 288 CB TYR A 19 -9.581 -6.002 5.796 1.00 35.13 C ATOM 289 CG TYR A 19 -11.041 -6.428 5.551 1.00 41.21 C ATOM 290 CD1 TYR A 19 -12.088 -5.504 5.640 1.00 42.11 C ATOM 291 CD2 TYR A 19 -11.380 -7.752 5.249 1.00 54.50 C ATOM 292 CE1 TYR A 19 -13.394 -5.877 5.443 1.00 24.23 C ATOM 293 CE2 TYR A 19 -12.700 -8.127 5.056 1.00 71.44 C ATOM 294 CZ TYR A 19 -13.700 -7.184 5.155 1.00 54.44 C ATOM 295 OH TYR A 19 -15.019 -7.551 4.995 1.00 53.21 O ATOM 0 H TYR A 19 -10.031 -3.614 6.863 1.00 4.34 H new ATOM 0 HA TYR A 19 -9.478 -6.339 7.932 1.00 55.34 H new ATOM 0 HB2 TYR A 19 -9.333 -5.199 5.101 1.00 35.13 H new ATOM 0 HB3 TYR A 19 -8.930 -6.843 5.557 1.00 35.13 H new ATOM 0 HD1 TYR A 19 -11.863 -4.473 5.869 1.00 42.11 H new ATOM 0 HD2 TYR A 19 -10.600 -8.494 5.165 1.00 54.50 H new ATOM 0 HE1 TYR A 19 -14.182 -5.142 5.515 1.00 24.23 H new ATOM 0 HE2 TYR A 19 -12.944 -9.154 4.829 1.00 71.44 H new ATOM 0 HH TYR A 19 -15.070 -8.509 4.794 1.00 53.21 H new ATOM 305 N GLU A 20 -7.128 -5.519 8.474 1.00 74.45 N ATOM 306 CA GLU A 20 -5.714 -5.175 8.745 1.00 71.33 C ATOM 307 C GLU A 20 -4.855 -6.447 8.751 1.00 64.35 C ATOM 308 O GLU A 20 -5.321 -7.498 9.199 1.00 42.02 O ATOM 309 CB GLU A 20 -5.561 -4.381 10.085 1.00 22.35 C ATOM 310 CG GLU A 20 -5.785 -5.161 11.404 1.00 30.52 C ATOM 311 CD GLU A 20 -7.198 -5.754 11.567 1.00 65.05 C ATOM 312 OE1 GLU A 20 -8.179 -4.977 11.614 1.00 33.23 O ATOM 313 OE2 GLU A 20 -7.334 -6.997 11.647 1.00 33.10 O ATOM 0 H GLU A 20 -7.562 -6.079 9.208 1.00 74.45 H new ATOM 0 HA GLU A 20 -5.363 -4.522 7.946 1.00 71.33 H new ATOM 0 HB2 GLU A 20 -4.558 -3.955 10.112 1.00 22.35 H new ATOM 0 HB3 GLU A 20 -6.262 -3.546 10.064 1.00 22.35 H new ATOM 0 HG2 GLU A 20 -5.057 -5.970 11.460 1.00 30.52 H new ATOM 0 HG3 GLU A 20 -5.586 -4.494 12.243 1.00 30.52 H new ATOM 320 N ARG A 21 -3.618 -6.354 8.218 1.00 52.13 N ATOM 321 CA ARG A 21 -2.651 -7.473 8.234 1.00 31.13 C ATOM 322 C ARG A 21 -1.245 -7.004 7.833 1.00 21.25 C ATOM 323 O ARG A 21 -1.095 -6.188 6.923 1.00 35.12 O ATOM 324 CB ARG A 21 -3.108 -8.631 7.298 1.00 1.22 C ATOM 325 CG ARG A 21 -2.092 -9.792 7.169 1.00 34.13 C ATOM 326 CD ARG A 21 -2.663 -11.013 6.446 1.00 32.34 C ATOM 327 NE ARG A 21 -3.712 -11.678 7.242 1.00 63.00 N ATOM 328 CZ ARG A 21 -3.502 -12.688 8.108 1.00 64.13 C ATOM 329 NH1 ARG A 21 -2.277 -13.180 8.306 1.00 61.24 N ATOM 330 NH2 ARG A 21 -4.524 -13.210 8.767 1.00 65.14 N ATOM 0 H ARG A 21 -3.264 -5.510 7.768 1.00 52.13 H new ATOM 0 HA ARG A 21 -2.614 -7.846 9.257 1.00 31.13 H new ATOM 0 HB2 ARG A 21 -4.052 -9.031 7.670 1.00 1.22 H new ATOM 0 HB3 ARG A 21 -3.303 -8.224 6.306 1.00 1.22 H new ATOM 0 HG2 ARG A 21 -1.212 -9.438 6.632 1.00 34.13 H new ATOM 0 HG3 ARG A 21 -1.761 -10.089 8.164 1.00 34.13 H new ATOM 0 HD2 ARG A 21 -3.075 -10.707 5.485 1.00 32.34 H new ATOM 0 HD3 ARG A 21 -1.861 -11.721 6.238 1.00 32.34 H new ATOM 0 HE ARG A 21 -4.670 -11.347 7.128 1.00 63.00 H new ATOM 0 HH11 ARG A 21 -1.483 -12.791 7.798 1.00 61.24 H new ATOM 0 HH12 ARG A 21 -2.135 -13.945 8.965 1.00 61.24 H new ATOM 0 HH21 ARG A 21 -5.466 -12.847 8.618 1.00 65.14 H new ATOM 0 HH22 ARG A 21 -4.370 -13.975 9.424 1.00 65.14 H new ATOM 344 N THR A 22 -0.232 -7.555 8.526 1.00 34.34 N ATOM 345 CA THR A 22 1.188 -7.338 8.240 1.00 43.31 C ATOM 346 C THR A 22 1.663 -8.355 7.174 1.00 40.51 C ATOM 347 O THR A 22 1.754 -9.557 7.452 1.00 3.21 O ATOM 348 CB THR A 22 2.018 -7.507 9.559 1.00 11.32 C ATOM 349 OG1 THR A 22 1.440 -6.698 10.598 1.00 30.21 O ATOM 350 CG2 THR A 22 3.502 -7.133 9.385 1.00 4.15 C ATOM 0 H THR A 22 -0.388 -8.178 9.319 1.00 34.34 H new ATOM 0 HA THR A 22 1.335 -6.329 7.855 1.00 43.31 H new ATOM 0 HB THR A 22 1.981 -8.563 9.827 1.00 11.32 H new ATOM 0 HG1 THR A 22 1.958 -6.805 11.423 1.00 30.21 H new ATOM 0 HG21 THR A 22 4.025 -7.270 10.331 1.00 4.15 H new ATOM 0 HG22 THR A 22 3.952 -7.773 8.626 1.00 4.15 H new ATOM 0 HG23 THR A 22 3.581 -6.091 9.075 1.00 4.15 H new ATOM 358 N TYR A 23 1.933 -7.864 5.958 1.00 75.41 N ATOM 359 CA TYR A 23 2.447 -8.682 4.842 1.00 13.24 C ATOM 360 C TYR A 23 3.975 -8.532 4.760 1.00 22.35 C ATOM 361 O TYR A 23 4.494 -7.421 4.854 1.00 25.52 O ATOM 362 CB TYR A 23 1.816 -8.232 3.492 1.00 55.42 C ATOM 363 CG TYR A 23 0.294 -8.422 3.385 1.00 41.42 C ATOM 364 CD1 TYR A 23 -0.595 -7.470 3.891 1.00 14.14 C ATOM 365 CD2 TYR A 23 -0.251 -9.547 2.756 1.00 63.21 C ATOM 366 CE1 TYR A 23 -1.964 -7.634 3.781 1.00 75.44 C ATOM 367 CE2 TYR A 23 -1.619 -9.715 2.643 1.00 73.22 C ATOM 368 CZ TYR A 23 -2.471 -8.759 3.155 1.00 14.22 C ATOM 369 OH TYR A 23 -3.836 -8.935 3.049 1.00 14.03 O ATOM 0 H TYR A 23 1.802 -6.882 5.715 1.00 75.41 H new ATOM 0 HA TYR A 23 2.181 -9.723 5.024 1.00 13.24 H new ATOM 0 HB2 TYR A 23 2.046 -7.178 3.335 1.00 55.42 H new ATOM 0 HB3 TYR A 23 2.293 -8.786 2.684 1.00 55.42 H new ATOM 0 HD1 TYR A 23 -0.205 -6.588 4.378 1.00 14.14 H new ATOM 0 HD2 TYR A 23 0.410 -10.299 2.351 1.00 63.21 H new ATOM 0 HE1 TYR A 23 -2.634 -6.888 4.182 1.00 75.44 H new ATOM 0 HE2 TYR A 23 -2.019 -10.592 2.155 1.00 73.22 H new ATOM 0 HH TYR A 23 -4.022 -9.776 2.581 1.00 14.03 H new ATOM 379 N GLN A 24 4.683 -9.654 4.581 1.00 11.32 N ATOM 380 CA GLN A 24 6.151 -9.667 4.440 1.00 1.35 C ATOM 381 C GLN A 24 6.481 -9.641 2.936 1.00 43.40 C ATOM 382 O GLN A 24 6.228 -10.625 2.228 1.00 32.11 O ATOM 383 CB GLN A 24 6.784 -10.924 5.127 1.00 4.34 C ATOM 384 CG GLN A 24 6.745 -10.954 6.681 1.00 51.42 C ATOM 385 CD GLN A 24 5.332 -10.989 7.286 1.00 14.03 C ATOM 386 OE1 GLN A 24 4.735 -12.054 7.451 1.00 1.31 O ATOM 387 NE2 GLN A 24 4.805 -9.833 7.669 1.00 30.50 N ATOM 0 H GLN A 24 4.258 -10.580 4.529 1.00 11.32 H new ATOM 0 HA GLN A 24 6.574 -8.794 4.937 1.00 1.35 H new ATOM 0 HB2 GLN A 24 6.272 -11.811 4.755 1.00 4.34 H new ATOM 0 HB3 GLN A 24 7.824 -11.000 4.810 1.00 4.34 H new ATOM 0 HG2 GLN A 24 7.296 -11.828 7.028 1.00 51.42 H new ATOM 0 HG3 GLN A 24 7.267 -10.076 7.061 1.00 51.42 H new ATOM 0 HE21 GLN A 24 5.319 -8.964 7.521 1.00 30.50 H new ATOM 0 HE22 GLN A 24 3.886 -9.813 8.111 1.00 30.50 H new ATOM 396 N LEU A 25 7.014 -8.506 2.449 1.00 12.33 N ATOM 397 CA LEU A 25 7.383 -8.320 1.031 1.00 51.13 C ATOM 398 C LEU A 25 8.904 -8.177 0.917 1.00 70.31 C ATOM 399 O LEU A 25 9.493 -7.232 1.446 1.00 33.42 O ATOM 400 CB LEU A 25 6.649 -7.089 0.416 1.00 30.53 C ATOM 401 CG LEU A 25 5.091 -7.202 0.327 1.00 40.25 C ATOM 402 CD1 LEU A 25 4.480 -5.992 -0.409 1.00 42.42 C ATOM 403 CD2 LEU A 25 4.654 -8.535 -0.329 1.00 53.21 C ATOM 0 H LEU A 25 7.202 -7.688 3.029 1.00 12.33 H new ATOM 0 HA LEU A 25 7.068 -9.195 0.463 1.00 51.13 H new ATOM 0 HB2 LEU A 25 6.898 -6.208 1.008 1.00 30.53 H new ATOM 0 HB3 LEU A 25 7.040 -6.920 -0.587 1.00 30.53 H new ATOM 0 HG LEU A 25 4.707 -7.197 1.347 1.00 40.25 H new ATOM 0 HD11 LEU A 25 3.396 -6.102 -0.453 1.00 42.42 H new ATOM 0 HD12 LEU A 25 4.730 -5.076 0.127 1.00 42.42 H new ATOM 0 HD13 LEU A 25 4.881 -5.941 -1.421 1.00 42.42 H new ATOM 0 HD21 LEU A 25 3.566 -8.579 -0.374 1.00 53.21 H new ATOM 0 HD22 LEU A 25 5.062 -8.595 -1.338 1.00 53.21 H new ATOM 0 HD23 LEU A 25 5.027 -9.371 0.263 1.00 53.21 H new ATOM 415 N TYR A 26 9.524 -9.139 0.224 1.00 15.42 N ATOM 416 CA TYR A 26 10.979 -9.236 0.058 1.00 72.02 C ATOM 417 C TYR A 26 11.327 -9.035 -1.425 1.00 45.43 C ATOM 418 O TYR A 26 10.859 -9.800 -2.278 1.00 3.02 O ATOM 419 CB TYR A 26 11.447 -10.632 0.553 1.00 13.31 C ATOM 420 CG TYR A 26 12.952 -10.912 0.411 1.00 12.11 C ATOM 421 CD1 TYR A 26 13.862 -10.477 1.374 1.00 73.41 C ATOM 422 CD2 TYR A 26 13.462 -11.639 -0.678 1.00 30.10 C ATOM 423 CE1 TYR A 26 15.211 -10.751 1.262 1.00 4.41 C ATOM 424 CE2 TYR A 26 14.811 -11.907 -0.794 1.00 52.42 C ATOM 425 CZ TYR A 26 15.681 -11.466 0.180 1.00 42.11 C ATOM 426 OH TYR A 26 17.030 -11.738 0.069 1.00 22.22 O ATOM 0 H TYR A 26 9.017 -9.888 -0.247 1.00 15.42 H new ATOM 0 HA TYR A 26 11.486 -8.468 0.642 1.00 72.02 H new ATOM 0 HB2 TYR A 26 11.173 -10.737 1.603 1.00 13.31 H new ATOM 0 HB3 TYR A 26 10.899 -11.396 0.002 1.00 13.31 H new ATOM 0 HD1 TYR A 26 13.505 -9.915 2.224 1.00 73.41 H new ATOM 0 HD2 TYR A 26 12.785 -11.995 -1.440 1.00 30.10 H new ATOM 0 HE1 TYR A 26 15.897 -10.406 2.021 1.00 4.41 H new ATOM 0 HE2 TYR A 26 15.183 -12.460 -1.644 1.00 52.42 H new ATOM 0 HH TYR A 26 17.194 -12.251 -0.750 1.00 22.22 H new ATOM 436 N ALA A 27 12.139 -8.012 -1.726 1.00 63.42 N ATOM 437 CA ALA A 27 12.612 -7.741 -3.093 1.00 21.32 C ATOM 438 C ALA A 27 13.976 -7.061 -3.059 1.00 13.34 C ATOM 439 O ALA A 27 14.307 -6.346 -2.104 1.00 30.21 O ATOM 440 CB ALA A 27 11.603 -6.877 -3.862 1.00 74.41 C ATOM 0 H ALA A 27 12.486 -7.350 -1.032 1.00 63.42 H new ATOM 0 HA ALA A 27 12.709 -8.694 -3.613 1.00 21.32 H new ATOM 0 HB1 ALA A 27 11.976 -6.691 -4.869 1.00 74.41 H new ATOM 0 HB2 ALA A 27 10.647 -7.398 -3.920 1.00 74.41 H new ATOM 0 HB3 ALA A 27 11.468 -5.927 -3.344 1.00 74.41 H new ATOM 446 N VAL A 28 14.755 -7.305 -4.119 1.00 15.33 N ATOM 447 CA VAL A 28 16.056 -6.671 -4.342 1.00 45.52 C ATOM 448 C VAL A 28 15.845 -5.243 -4.893 1.00 45.01 C ATOM 449 O VAL A 28 16.480 -4.286 -4.437 1.00 5.24 O ATOM 450 CB VAL A 28 16.931 -7.530 -5.347 1.00 33.24 C ATOM 451 CG1 VAL A 28 18.328 -6.912 -5.599 1.00 70.03 C ATOM 452 CG2 VAL A 28 17.061 -8.997 -4.866 1.00 3.50 C ATOM 0 H VAL A 28 14.494 -7.959 -4.857 1.00 15.33 H new ATOM 0 HA VAL A 28 16.591 -6.614 -3.394 1.00 45.52 H new ATOM 0 HB VAL A 28 16.402 -7.523 -6.300 1.00 33.24 H new ATOM 0 HG11 VAL A 28 18.884 -7.541 -6.294 1.00 70.03 H new ATOM 0 HG12 VAL A 28 18.213 -5.915 -6.024 1.00 70.03 H new ATOM 0 HG13 VAL A 28 18.871 -6.845 -4.657 1.00 70.03 H new ATOM 0 HG21 VAL A 28 17.666 -9.560 -5.576 1.00 3.50 H new ATOM 0 HG22 VAL A 28 17.538 -9.018 -3.886 1.00 3.50 H new ATOM 0 HG23 VAL A 28 16.070 -9.446 -4.797 1.00 3.50 H new ATOM 462 N ARG A 29 14.893 -5.116 -5.846 1.00 61.25 N ATOM 463 CA ARG A 29 14.688 -3.887 -6.650 1.00 34.33 C ATOM 464 C ARG A 29 13.292 -3.265 -6.389 1.00 34.14 C ATOM 465 O ARG A 29 12.398 -3.928 -5.842 1.00 4.24 O ATOM 466 CB ARG A 29 14.861 -4.231 -8.167 1.00 55.44 C ATOM 467 CG ARG A 29 16.120 -5.073 -8.488 1.00 32.41 C ATOM 468 CD ARG A 29 16.376 -5.277 -9.994 1.00 32.35 C ATOM 469 NE ARG A 29 17.571 -6.110 -10.229 1.00 1.02 N ATOM 470 CZ ARG A 29 18.774 -5.676 -10.643 1.00 24.04 C ATOM 471 NH1 ARG A 29 19.007 -4.388 -10.877 1.00 12.42 N ATOM 472 NH2 ARG A 29 19.754 -6.550 -10.803 1.00 22.41 N ATOM 0 H ARG A 29 14.242 -5.866 -6.080 1.00 61.25 H new ATOM 0 HA ARG A 29 15.432 -3.148 -6.354 1.00 34.33 H new ATOM 0 HB2 ARG A 29 13.979 -4.773 -8.508 1.00 55.44 H new ATOM 0 HB3 ARG A 29 14.904 -3.302 -8.736 1.00 55.44 H new ATOM 0 HG2 ARG A 29 16.990 -4.588 -8.045 1.00 32.41 H new ATOM 0 HG3 ARG A 29 16.022 -6.049 -8.012 1.00 32.41 H new ATOM 0 HD2 ARG A 29 15.506 -5.748 -10.452 1.00 32.35 H new ATOM 0 HD3 ARG A 29 16.505 -4.308 -10.477 1.00 32.35 H new ATOM 0 HE ARG A 29 17.475 -7.112 -10.061 1.00 1.02 H new ATOM 0 HH11 ARG A 29 18.264 -3.703 -10.743 1.00 12.42 H new ATOM 0 HH12 ARG A 29 19.929 -4.085 -11.191 1.00 12.42 H new ATOM 0 HH21 ARG A 29 19.592 -7.539 -10.613 1.00 22.41 H new ATOM 0 HH22 ARG A 29 20.672 -6.235 -11.117 1.00 22.41 H new ATOM 486 N ASP A 30 13.135 -1.985 -6.810 1.00 35.20 N ATOM 487 CA ASP A 30 11.872 -1.206 -6.686 1.00 21.14 C ATOM 488 C ASP A 30 10.732 -1.846 -7.485 1.00 61.54 C ATOM 489 O ASP A 30 9.623 -2.023 -6.970 1.00 41.51 O ATOM 490 CB ASP A 30 12.074 0.255 -7.198 1.00 10.13 C ATOM 491 CG ASP A 30 12.967 1.120 -6.298 1.00 43.55 C ATOM 492 OD1 ASP A 30 14.204 1.009 -6.378 1.00 24.10 O ATOM 493 OD2 ASP A 30 12.442 1.942 -5.527 1.00 60.13 O ATOM 0 H ASP A 30 13.888 -1.457 -7.250 1.00 35.20 H new ATOM 0 HA ASP A 30 11.607 -1.200 -5.629 1.00 21.14 H new ATOM 0 HB2 ASP A 30 12.509 0.221 -8.197 1.00 10.13 H new ATOM 0 HB3 ASP A 30 11.099 0.733 -7.291 1.00 10.13 H new ATOM 498 N GLU A 31 11.028 -2.179 -8.756 1.00 22.43 N ATOM 499 CA GLU A 31 10.042 -2.736 -9.700 1.00 31.01 C ATOM 500 C GLU A 31 9.535 -4.111 -9.237 1.00 5.22 C ATOM 501 O GLU A 31 8.385 -4.483 -9.511 1.00 54.23 O ATOM 502 CB GLU A 31 10.640 -2.818 -11.129 1.00 15.23 C ATOM 503 CG GLU A 31 11.169 -1.472 -11.679 1.00 72.01 C ATOM 504 CD GLU A 31 10.125 -0.334 -11.654 1.00 35.35 C ATOM 505 OE1 GLU A 31 9.083 -0.467 -12.336 1.00 43.22 O ATOM 506 OE2 GLU A 31 10.337 0.691 -10.960 1.00 61.53 O ATOM 0 H GLU A 31 11.959 -2.069 -9.157 1.00 22.43 H new ATOM 0 HA GLU A 31 9.185 -2.062 -9.724 1.00 31.01 H new ATOM 0 HB2 GLU A 31 11.455 -3.541 -11.127 1.00 15.23 H new ATOM 0 HB3 GLU A 31 9.877 -3.199 -11.808 1.00 15.23 H new ATOM 0 HG2 GLU A 31 12.038 -1.168 -11.095 1.00 72.01 H new ATOM 0 HG3 GLU A 31 11.509 -1.618 -12.704 1.00 72.01 H new ATOM 513 N GLU A 32 10.393 -4.843 -8.499 1.00 13.20 N ATOM 514 CA GLU A 32 10.048 -6.155 -7.938 1.00 33.00 C ATOM 515 C GLU A 32 9.101 -6.011 -6.729 1.00 14.14 C ATOM 516 O GLU A 32 8.358 -6.929 -6.425 1.00 44.10 O ATOM 517 CB GLU A 32 11.332 -6.908 -7.515 1.00 3.34 C ATOM 518 CG GLU A 32 12.396 -7.050 -8.619 1.00 52.41 C ATOM 519 CD GLU A 32 11.878 -7.743 -9.889 1.00 31.15 C ATOM 520 OE1 GLU A 32 11.648 -8.968 -9.857 1.00 0.21 O ATOM 521 OE2 GLU A 32 11.699 -7.074 -10.927 1.00 41.33 O ATOM 0 H GLU A 32 11.341 -4.538 -8.278 1.00 13.20 H new ATOM 0 HA GLU A 32 9.533 -6.727 -8.710 1.00 33.00 H new ATOM 0 HB2 GLU A 32 11.777 -6.388 -6.667 1.00 3.34 H new ATOM 0 HB3 GLU A 32 11.054 -7.903 -7.169 1.00 3.34 H new ATOM 0 HG2 GLU A 32 12.769 -6.060 -8.882 1.00 52.41 H new ATOM 0 HG3 GLU A 32 13.241 -7.615 -8.226 1.00 52.41 H new ATOM 528 N LEU A 33 9.155 -4.856 -6.036 1.00 24.31 N ATOM 529 CA LEU A 33 8.284 -4.579 -4.870 1.00 4.10 C ATOM 530 C LEU A 33 6.889 -4.096 -5.358 1.00 71.11 C ATOM 531 O LEU A 33 5.869 -4.468 -4.778 1.00 13.02 O ATOM 532 CB LEU A 33 8.959 -3.524 -3.913 1.00 41.35 C ATOM 533 CG LEU A 33 8.738 -3.718 -2.357 1.00 43.10 C ATOM 534 CD1 LEU A 33 7.251 -3.684 -1.945 1.00 65.21 C ATOM 535 CD2 LEU A 33 9.407 -5.013 -1.844 1.00 43.53 C ATOM 0 H LEU A 33 9.795 -4.095 -6.263 1.00 24.31 H new ATOM 0 HA LEU A 33 8.146 -5.497 -4.298 1.00 4.10 H new ATOM 0 HB2 LEU A 33 10.032 -3.530 -4.106 1.00 41.35 H new ATOM 0 HB3 LEU A 33 8.591 -2.535 -4.186 1.00 41.35 H new ATOM 0 HG LEU A 33 9.220 -2.863 -1.884 1.00 43.10 H new ATOM 0 HD11 LEU A 33 7.169 -3.823 -0.867 1.00 65.21 H new ATOM 0 HD12 LEU A 33 6.819 -2.722 -2.221 1.00 65.21 H new ATOM 0 HD13 LEU A 33 6.714 -4.483 -2.456 1.00 65.21 H new ATOM 0 HD21 LEU A 33 9.234 -5.112 -0.772 1.00 43.53 H new ATOM 0 HD22 LEU A 33 8.981 -5.872 -2.361 1.00 43.53 H new ATOM 0 HD23 LEU A 33 10.479 -4.969 -2.036 1.00 43.53 H new ATOM 547 N LYS A 34 6.877 -3.286 -6.446 1.00 10.13 N ATOM 548 CA LYS A 34 5.645 -2.666 -7.013 1.00 70.51 C ATOM 549 C LYS A 34 4.572 -3.711 -7.371 1.00 22.05 C ATOM 550 O LYS A 34 3.418 -3.584 -6.956 1.00 34.14 O ATOM 551 CB LYS A 34 5.996 -1.830 -8.272 1.00 13.55 C ATOM 552 CG LYS A 34 6.844 -0.578 -7.989 1.00 33.33 C ATOM 553 CD LYS A 34 7.345 0.117 -9.272 1.00 52.41 C ATOM 554 CE LYS A 34 6.216 0.529 -10.228 1.00 62.03 C ATOM 555 NZ LYS A 34 6.746 1.145 -11.476 1.00 73.24 N ATOM 0 H LYS A 34 7.724 -3.041 -6.960 1.00 10.13 H new ATOM 0 HA LYS A 34 5.231 -2.019 -6.240 1.00 70.51 H new ATOM 0 HB2 LYS A 34 6.532 -2.465 -8.977 1.00 13.55 H new ATOM 0 HB3 LYS A 34 5.070 -1.524 -8.759 1.00 13.55 H new ATOM 0 HG2 LYS A 34 6.253 0.129 -7.407 1.00 33.33 H new ATOM 0 HG3 LYS A 34 7.701 -0.858 -7.376 1.00 33.33 H new ATOM 0 HD2 LYS A 34 7.917 1.003 -8.996 1.00 52.41 H new ATOM 0 HD3 LYS A 34 8.027 -0.553 -9.796 1.00 52.41 H new ATOM 0 HE2 LYS A 34 5.616 -0.345 -10.480 1.00 62.03 H new ATOM 0 HE3 LYS A 34 5.554 1.235 -9.726 1.00 62.03 H new ATOM 0 HZ1 LYS A 34 6.009 1.131 -12.210 1.00 73.24 H new ATOM 0 HZ2 LYS A 34 7.026 2.128 -11.286 1.00 73.24 H new ATOM 0 HZ3 LYS A 34 7.573 0.607 -11.805 1.00 73.24 H new ATOM 569 N GLU A 35 4.979 -4.729 -8.153 1.00 34.51 N ATOM 570 CA GLU A 35 4.108 -5.860 -8.548 1.00 53.03 C ATOM 571 C GLU A 35 3.482 -6.563 -7.318 1.00 73.40 C ATOM 572 O GLU A 35 2.316 -6.962 -7.353 1.00 43.12 O ATOM 573 CB GLU A 35 4.909 -6.889 -9.400 1.00 14.34 C ATOM 574 CG GLU A 35 6.249 -7.331 -8.763 1.00 70.42 C ATOM 575 CD GLU A 35 6.846 -8.623 -9.344 1.00 12.10 C ATOM 576 OE1 GLU A 35 7.003 -8.715 -10.579 1.00 41.10 O ATOM 577 OE2 GLU A 35 7.152 -9.560 -8.562 1.00 45.42 O ATOM 0 H GLU A 35 5.924 -4.793 -8.532 1.00 34.51 H new ATOM 0 HA GLU A 35 3.294 -5.451 -9.147 1.00 53.03 H new ATOM 0 HB2 GLU A 35 4.289 -7.770 -9.563 1.00 14.34 H new ATOM 0 HB3 GLU A 35 5.110 -6.455 -10.379 1.00 14.34 H new ATOM 0 HG2 GLU A 35 6.975 -6.527 -8.883 1.00 70.42 H new ATOM 0 HG3 GLU A 35 6.098 -7.467 -7.692 1.00 70.42 H new ATOM 584 N LYS A 36 4.275 -6.681 -6.233 1.00 3.53 N ATOM 585 CA LYS A 36 3.848 -7.348 -4.988 1.00 21.04 C ATOM 586 C LYS A 36 2.796 -6.506 -4.251 1.00 10.35 C ATOM 587 O LYS A 36 1.866 -7.054 -3.683 1.00 73.51 O ATOM 588 CB LYS A 36 5.067 -7.626 -4.067 1.00 25.21 C ATOM 589 CG LYS A 36 6.165 -8.464 -4.746 1.00 52.51 C ATOM 590 CD LYS A 36 7.332 -8.848 -3.806 1.00 54.53 C ATOM 591 CE LYS A 36 8.497 -9.515 -4.571 1.00 4.13 C ATOM 592 NZ LYS A 36 8.040 -10.571 -5.523 1.00 62.42 N ATOM 0 H LYS A 36 5.227 -6.317 -6.196 1.00 3.53 H new ATOM 0 HA LYS A 36 3.395 -8.303 -5.255 1.00 21.04 H new ATOM 0 HB2 LYS A 36 5.493 -6.676 -3.743 1.00 25.21 H new ATOM 0 HB3 LYS A 36 4.726 -8.145 -3.171 1.00 25.21 H new ATOM 0 HG2 LYS A 36 5.719 -9.375 -5.145 1.00 52.51 H new ATOM 0 HG3 LYS A 36 6.563 -7.906 -5.593 1.00 52.51 H new ATOM 0 HD2 LYS A 36 7.696 -7.955 -3.297 1.00 54.53 H new ATOM 0 HD3 LYS A 36 6.968 -9.528 -3.036 1.00 54.53 H new ATOM 0 HE2 LYS A 36 9.048 -8.752 -5.121 1.00 4.13 H new ATOM 0 HE3 LYS A 36 9.191 -9.955 -3.854 1.00 4.13 H new ATOM 0 HZ1 LYS A 36 8.798 -11.270 -5.656 1.00 62.42 H new ATOM 0 HZ2 LYS A 36 7.197 -11.044 -5.139 1.00 62.42 H new ATOM 0 HZ3 LYS A 36 7.806 -10.136 -6.438 1.00 62.42 H new ATOM 606 N LEU A 37 2.975 -5.172 -4.278 1.00 52.41 N ATOM 607 CA LEU A 37 2.010 -4.206 -3.711 1.00 61.41 C ATOM 608 C LEU A 37 0.652 -4.292 -4.436 1.00 75.31 C ATOM 609 O LEU A 37 -0.393 -4.222 -3.793 1.00 24.12 O ATOM 610 CB LEU A 37 2.591 -2.772 -3.797 1.00 52.30 C ATOM 611 CG LEU A 37 3.864 -2.516 -2.933 1.00 23.44 C ATOM 612 CD1 LEU A 37 4.582 -1.223 -3.357 1.00 64.41 C ATOM 613 CD2 LEU A 37 3.520 -2.496 -1.427 1.00 1.52 C ATOM 0 H LEU A 37 3.795 -4.731 -4.695 1.00 52.41 H new ATOM 0 HA LEU A 37 1.841 -4.455 -2.663 1.00 61.41 H new ATOM 0 HB2 LEU A 37 2.829 -2.556 -4.838 1.00 52.30 H new ATOM 0 HB3 LEU A 37 1.818 -2.066 -3.494 1.00 52.30 H new ATOM 0 HG LEU A 37 4.551 -3.344 -3.107 1.00 23.44 H new ATOM 0 HD11 LEU A 37 5.464 -1.076 -2.734 1.00 64.41 H new ATOM 0 HD12 LEU A 37 4.884 -1.300 -4.402 1.00 64.41 H new ATOM 0 HD13 LEU A 37 3.907 -0.376 -3.236 1.00 64.41 H new ATOM 0 HD21 LEU A 37 4.426 -2.316 -0.849 1.00 1.52 H new ATOM 0 HD22 LEU A 37 2.799 -1.702 -1.229 1.00 1.52 H new ATOM 0 HD23 LEU A 37 3.091 -3.456 -1.139 1.00 1.52 H new ATOM 625 N LYS A 38 0.689 -4.439 -5.779 1.00 54.35 N ATOM 626 CA LYS A 38 -0.515 -4.639 -6.612 1.00 32.03 C ATOM 627 C LYS A 38 -1.225 -5.967 -6.264 1.00 51.45 C ATOM 628 O LYS A 38 -2.454 -6.007 -6.192 1.00 42.34 O ATOM 629 CB LYS A 38 -0.124 -4.603 -8.116 1.00 42.51 C ATOM 630 CG LYS A 38 0.548 -3.281 -8.554 1.00 53.02 C ATOM 631 CD LYS A 38 1.013 -3.288 -10.024 1.00 55.44 C ATOM 632 CE LYS A 38 -0.148 -3.388 -11.019 1.00 20.40 C ATOM 633 NZ LYS A 38 0.337 -3.424 -12.422 1.00 34.22 N ATOM 0 H LYS A 38 1.556 -4.422 -6.315 1.00 54.35 H new ATOM 0 HA LYS A 38 -1.216 -3.830 -6.406 1.00 32.03 H new ATOM 0 HB2 LYS A 38 0.553 -5.431 -8.326 1.00 42.51 H new ATOM 0 HB3 LYS A 38 -1.018 -4.762 -8.718 1.00 42.51 H new ATOM 0 HG2 LYS A 38 -0.153 -2.459 -8.406 1.00 53.02 H new ATOM 0 HG3 LYS A 38 1.406 -3.088 -7.910 1.00 53.02 H new ATOM 0 HD2 LYS A 38 1.579 -2.378 -10.225 1.00 55.44 H new ATOM 0 HD3 LYS A 38 1.692 -4.126 -10.181 1.00 55.44 H new ATOM 0 HE2 LYS A 38 -0.730 -4.286 -10.811 1.00 20.40 H new ATOM 0 HE3 LYS A 38 -0.816 -2.537 -10.886 1.00 20.40 H new ATOM 0 HZ1 LYS A 38 -0.471 -3.543 -13.066 1.00 34.22 H new ATOM 0 HZ2 LYS A 38 0.827 -2.534 -12.643 1.00 34.22 H new ATOM 0 HZ3 LYS A 38 0.995 -4.221 -12.542 1.00 34.22 H new ATOM 647 N LYS A 39 -0.431 -7.037 -6.041 1.00 14.25 N ATOM 648 CA LYS A 39 -0.948 -8.362 -5.624 1.00 73.51 C ATOM 649 C LYS A 39 -1.664 -8.262 -4.260 1.00 15.25 C ATOM 650 O LYS A 39 -2.820 -8.653 -4.141 1.00 15.34 O ATOM 651 CB LYS A 39 0.203 -9.415 -5.556 1.00 12.10 C ATOM 652 CG LYS A 39 0.795 -9.840 -6.925 1.00 40.44 C ATOM 653 CD LYS A 39 -0.197 -10.605 -7.853 1.00 14.03 C ATOM 654 CE LYS A 39 -0.423 -12.087 -7.463 1.00 33.24 C ATOM 655 NZ LYS A 39 -1.108 -12.262 -6.147 1.00 54.51 N ATOM 0 H LYS A 39 0.583 -7.008 -6.144 1.00 14.25 H new ATOM 0 HA LYS A 39 -1.669 -8.692 -6.372 1.00 73.51 H new ATOM 0 HB2 LYS A 39 1.007 -9.011 -4.941 1.00 12.10 H new ATOM 0 HB3 LYS A 39 -0.170 -10.304 -5.048 1.00 12.10 H new ATOM 0 HG2 LYS A 39 1.146 -8.949 -7.446 1.00 40.44 H new ATOM 0 HG3 LYS A 39 1.667 -10.470 -6.749 1.00 40.44 H new ATOM 0 HD2 LYS A 39 -1.157 -10.089 -7.843 1.00 14.03 H new ATOM 0 HD3 LYS A 39 0.176 -10.564 -8.876 1.00 14.03 H new ATOM 0 HE2 LYS A 39 -1.016 -12.572 -8.239 1.00 33.24 H new ATOM 0 HE3 LYS A 39 0.540 -12.597 -7.432 1.00 33.24 H new ATOM 0 HZ1 LYS A 39 -1.733 -13.092 -6.189 1.00 54.51 H new ATOM 0 HZ2 LYS A 39 -0.397 -12.401 -5.401 1.00 54.51 H new ATOM 0 HZ3 LYS A 39 -1.672 -11.414 -5.934 1.00 54.51 H new ATOM 669 N VAL A 40 -0.952 -7.695 -3.270 1.00 50.40 N ATOM 670 CA VAL A 40 -1.435 -7.503 -1.885 1.00 53.25 C ATOM 671 C VAL A 40 -2.701 -6.617 -1.831 1.00 65.51 C ATOM 672 O VAL A 40 -3.623 -6.898 -1.056 1.00 54.21 O ATOM 673 CB VAL A 40 -0.274 -6.889 -0.993 1.00 22.33 C ATOM 674 CG1 VAL A 40 -0.774 -6.387 0.376 1.00 62.50 C ATOM 675 CG2 VAL A 40 0.874 -7.914 -0.805 1.00 73.43 C ATOM 0 H VAL A 40 -0.003 -7.349 -3.411 1.00 50.40 H new ATOM 0 HA VAL A 40 -1.716 -8.478 -1.486 1.00 53.25 H new ATOM 0 HB VAL A 40 0.105 -6.020 -1.531 1.00 22.33 H new ATOM 0 HG11 VAL A 40 0.063 -5.978 0.942 1.00 62.50 H new ATOM 0 HG12 VAL A 40 -1.525 -5.611 0.227 1.00 62.50 H new ATOM 0 HG13 VAL A 40 -1.215 -7.217 0.929 1.00 62.50 H new ATOM 0 HG21 VAL A 40 1.659 -7.473 -0.191 1.00 73.43 H new ATOM 0 HG22 VAL A 40 0.488 -8.807 -0.314 1.00 73.43 H new ATOM 0 HG23 VAL A 40 1.284 -8.184 -1.778 1.00 73.43 H new ATOM 685 N LEU A 41 -2.743 -5.569 -2.675 1.00 43.41 N ATOM 686 CA LEU A 41 -3.888 -4.643 -2.729 1.00 71.43 C ATOM 687 C LEU A 41 -5.113 -5.321 -3.360 1.00 55.21 C ATOM 688 O LEU A 41 -6.163 -5.317 -2.754 1.00 55.45 O ATOM 689 CB LEU A 41 -3.515 -3.299 -3.432 1.00 72.02 C ATOM 690 CG LEU A 41 -2.789 -2.260 -2.510 1.00 71.41 C ATOM 691 CD1 LEU A 41 -2.314 -1.030 -3.300 1.00 44.02 C ATOM 692 CD2 LEU A 41 -3.700 -1.839 -1.333 1.00 3.30 C ATOM 0 H LEU A 41 -1.995 -5.343 -3.330 1.00 43.41 H new ATOM 0 HA LEU A 41 -4.159 -4.383 -1.706 1.00 71.43 H new ATOM 0 HB2 LEU A 41 -2.874 -3.517 -4.287 1.00 72.02 H new ATOM 0 HB3 LEU A 41 -4.425 -2.844 -3.824 1.00 72.02 H new ATOM 0 HG LEU A 41 -1.903 -2.748 -2.103 1.00 71.41 H new ATOM 0 HD11 LEU A 41 -1.816 -0.334 -2.625 1.00 44.02 H new ATOM 0 HD12 LEU A 41 -1.617 -1.344 -4.077 1.00 44.02 H new ATOM 0 HD13 LEU A 41 -3.172 -0.539 -3.759 1.00 44.02 H new ATOM 0 HD21 LEU A 41 -3.175 -1.118 -0.707 1.00 3.30 H new ATOM 0 HD22 LEU A 41 -4.612 -1.386 -1.723 1.00 3.30 H new ATOM 0 HD23 LEU A 41 -3.956 -2.716 -0.739 1.00 3.30 H new ATOM 704 N ASN A 42 -4.959 -5.963 -4.537 1.00 72.13 N ATOM 705 CA ASN A 42 -6.080 -6.694 -5.194 1.00 10.51 C ATOM 706 C ASN A 42 -6.519 -7.928 -4.366 1.00 51.10 C ATOM 707 O ASN A 42 -7.648 -8.403 -4.514 1.00 53.33 O ATOM 708 CB ASN A 42 -5.726 -7.113 -6.652 1.00 4.14 C ATOM 709 CG ASN A 42 -5.762 -5.956 -7.669 1.00 1.44 C ATOM 710 OD1 ASN A 42 -6.831 -5.573 -8.148 1.00 33.02 O ATOM 711 ND2 ASN A 42 -4.610 -5.437 -8.049 1.00 50.32 N ATOM 0 H ASN A 42 -4.080 -5.994 -5.054 1.00 72.13 H new ATOM 0 HA ASN A 42 -6.919 -6.000 -5.241 1.00 10.51 H new ATOM 0 HB2 ASN A 42 -4.730 -7.557 -6.659 1.00 4.14 H new ATOM 0 HB3 ASN A 42 -6.422 -7.887 -6.975 1.00 4.14 H new ATOM 0 HD21 ASN A 42 -4.590 -4.701 -8.755 1.00 50.32 H new ATOM 0 HD22 ASN A 42 -3.739 -5.772 -7.637 1.00 50.32 H new ATOM 718 N GLU A 43 -5.619 -8.429 -3.496 1.00 1.34 N ATOM 719 CA GLU A 43 -5.914 -9.558 -2.595 1.00 63.32 C ATOM 720 C GLU A 43 -6.813 -9.094 -1.437 1.00 72.24 C ATOM 721 O GLU A 43 -7.907 -9.632 -1.225 1.00 3.14 O ATOM 722 CB GLU A 43 -4.590 -10.158 -2.040 1.00 21.10 C ATOM 723 CG GLU A 43 -4.740 -11.499 -1.292 1.00 31.41 C ATOM 724 CD GLU A 43 -5.264 -12.632 -2.197 1.00 62.13 C ATOM 725 OE1 GLU A 43 -4.482 -13.155 -3.028 1.00 31.53 O ATOM 726 OE2 GLU A 43 -6.459 -12.995 -2.096 1.00 24.55 O ATOM 0 H GLU A 43 -4.672 -8.063 -3.399 1.00 1.34 H new ATOM 0 HA GLU A 43 -6.441 -10.328 -3.158 1.00 63.32 H new ATOM 0 HB2 GLU A 43 -3.897 -10.299 -2.870 1.00 21.10 H new ATOM 0 HB3 GLU A 43 -4.136 -9.433 -1.365 1.00 21.10 H new ATOM 0 HG2 GLU A 43 -3.774 -11.789 -0.877 1.00 31.41 H new ATOM 0 HG3 GLU A 43 -5.421 -11.367 -0.451 1.00 31.41 H new ATOM 733 N ARG A 44 -6.344 -8.063 -0.711 1.00 2.41 N ATOM 734 CA ARG A 44 -7.030 -7.529 0.477 1.00 2.50 C ATOM 735 C ARG A 44 -8.291 -6.736 0.086 1.00 60.33 C ATOM 736 O ARG A 44 -9.246 -6.649 0.869 1.00 20.33 O ATOM 737 CB ARG A 44 -6.053 -6.651 1.318 1.00 74.35 C ATOM 738 CG ARG A 44 -6.550 -6.249 2.735 1.00 32.34 C ATOM 739 CD ARG A 44 -6.691 -7.437 3.729 1.00 52.20 C ATOM 740 NE ARG A 44 -7.964 -8.197 3.590 1.00 63.23 N ATOM 741 CZ ARG A 44 -8.092 -9.464 3.140 1.00 12.42 C ATOM 742 NH1 ARG A 44 -7.037 -10.161 2.739 1.00 41.45 N ATOM 743 NH2 ARG A 44 -9.284 -10.042 3.130 1.00 2.11 N ATOM 0 H ARG A 44 -5.476 -7.576 -0.933 1.00 2.41 H new ATOM 0 HA ARG A 44 -7.352 -8.370 1.091 1.00 2.50 H new ATOM 0 HB2 ARG A 44 -5.111 -7.189 1.424 1.00 74.35 H new ATOM 0 HB3 ARG A 44 -5.839 -5.741 0.757 1.00 74.35 H new ATOM 0 HG2 ARG A 44 -5.858 -5.520 3.156 1.00 32.34 H new ATOM 0 HG3 ARG A 44 -7.516 -5.754 2.641 1.00 32.34 H new ATOM 0 HD2 ARG A 44 -5.854 -8.120 3.583 1.00 52.20 H new ATOM 0 HD3 ARG A 44 -6.617 -7.056 4.747 1.00 52.20 H new ATOM 0 HE ARG A 44 -8.821 -7.715 3.860 1.00 63.23 H new ATOM 0 HH11 ARG A 44 -6.108 -9.741 2.767 1.00 41.45 H new ATOM 0 HH12 ARG A 44 -7.155 -11.117 2.403 1.00 41.45 H new ATOM 0 HH21 ARG A 44 -10.102 -9.530 3.461 1.00 2.11 H new ATOM 0 HH22 ARG A 44 -9.384 -10.999 2.791 1.00 2.11 H new ATOM 757 N MET A 45 -8.298 -6.182 -1.146 1.00 34.42 N ATOM 758 CA MET A 45 -9.429 -5.391 -1.670 1.00 32.32 C ATOM 759 C MET A 45 -10.374 -6.230 -2.537 1.00 61.31 C ATOM 760 O MET A 45 -11.353 -5.692 -3.073 1.00 25.43 O ATOM 761 CB MET A 45 -8.953 -4.130 -2.437 1.00 61.50 C ATOM 762 CG MET A 45 -8.135 -3.142 -1.588 1.00 63.40 C ATOM 763 SD MET A 45 -8.008 -1.523 -2.362 1.00 11.42 S ATOM 764 CE MET A 45 -9.730 -1.020 -2.361 1.00 42.54 C ATOM 0 H MET A 45 -7.522 -6.271 -1.802 1.00 34.42 H new ATOM 0 HA MET A 45 -9.993 -5.057 -0.799 1.00 32.32 H new ATOM 0 HB2 MET A 45 -8.350 -4.444 -3.289 1.00 61.50 H new ATOM 0 HB3 MET A 45 -9.825 -3.612 -2.837 1.00 61.50 H new ATOM 0 HG2 MET A 45 -8.599 -3.038 -0.607 1.00 63.40 H new ATOM 0 HG3 MET A 45 -7.135 -3.545 -1.427 1.00 63.40 H new ATOM 0 HE1 MET A 45 -9.794 0.059 -2.217 1.00 42.54 H new ATOM 0 HE2 MET A 45 -10.188 -1.287 -3.314 1.00 42.54 H new ATOM 0 HE3 MET A 45 -10.256 -1.526 -1.551 1.00 42.54 H new ATOM 774 N ASP A 46 -10.094 -7.533 -2.658 1.00 33.31 N ATOM 775 CA ASP A 46 -11.017 -8.494 -3.294 1.00 73.43 C ATOM 776 C ASP A 46 -12.393 -8.528 -2.547 1.00 61.15 C ATOM 777 O ASP A 46 -13.424 -8.270 -3.186 1.00 11.32 O ATOM 778 CB ASP A 46 -10.359 -9.903 -3.409 1.00 12.41 C ATOM 779 CG ASP A 46 -11.333 -11.014 -3.837 1.00 42.43 C ATOM 780 OD1 ASP A 46 -11.941 -10.904 -4.916 1.00 43.02 O ATOM 781 OD2 ASP A 46 -11.509 -12.003 -3.091 1.00 50.42 O ATOM 0 H ASP A 46 -9.228 -7.954 -2.322 1.00 33.31 H new ATOM 0 HA ASP A 46 -11.222 -8.159 -4.311 1.00 73.43 H new ATOM 0 HB2 ASP A 46 -9.541 -9.854 -4.128 1.00 12.41 H new ATOM 0 HB3 ASP A 46 -9.921 -10.168 -2.447 1.00 12.41 H new ATOM 786 N PRO A 47 -12.454 -8.797 -1.185 1.00 61.34 N ATOM 787 CA PRO A 47 -13.744 -8.765 -0.434 1.00 70.51 C ATOM 788 C PRO A 47 -14.345 -7.338 -0.351 1.00 53.11 C ATOM 789 O PRO A 47 -15.545 -7.178 -0.165 1.00 64.13 O ATOM 790 CB PRO A 47 -13.350 -9.293 0.972 1.00 75.43 C ATOM 791 CG PRO A 47 -11.895 -8.960 1.100 1.00 40.42 C ATOM 792 CD PRO A 47 -11.316 -9.151 -0.276 1.00 44.41 C ATOM 0 HA PRO A 47 -14.519 -9.358 -0.918 1.00 70.51 H new ATOM 0 HB2 PRO A 47 -13.938 -8.814 1.755 1.00 75.43 H new ATOM 0 HB3 PRO A 47 -13.521 -10.366 1.056 1.00 75.43 H new ATOM 0 HG2 PRO A 47 -11.756 -7.936 1.446 1.00 40.42 H new ATOM 0 HG3 PRO A 47 -11.406 -9.610 1.825 1.00 40.42 H new ATOM 0 HD2 PRO A 47 -10.454 -8.505 -0.442 1.00 44.41 H new ATOM 0 HD3 PRO A 47 -10.981 -10.177 -0.432 1.00 44.41 H new ATOM 800 N ILE A 48 -13.480 -6.323 -0.542 1.00 51.54 N ATOM 801 CA ILE A 48 -13.822 -4.894 -0.389 1.00 23.10 C ATOM 802 C ILE A 48 -14.675 -4.386 -1.572 1.00 51.40 C ATOM 803 O ILE A 48 -15.618 -3.609 -1.374 1.00 1.14 O ATOM 804 CB ILE A 48 -12.507 -4.051 -0.264 1.00 11.41 C ATOM 805 CG1 ILE A 48 -11.674 -4.500 0.983 1.00 43.21 C ATOM 806 CG2 ILE A 48 -12.768 -2.531 -0.262 1.00 23.01 C ATOM 807 CD1 ILE A 48 -12.355 -4.352 2.322 1.00 73.24 C ATOM 0 H ILE A 48 -12.508 -6.475 -0.811 1.00 51.54 H new ATOM 0 HA ILE A 48 -14.417 -4.779 0.517 1.00 23.10 H new ATOM 0 HB ILE A 48 -11.915 -4.251 -1.157 1.00 11.41 H new ATOM 0 HG12 ILE A 48 -11.397 -5.546 0.852 1.00 43.21 H new ATOM 0 HG13 ILE A 48 -10.748 -3.925 1.003 1.00 43.21 H new ATOM 0 HG21 ILE A 48 -11.821 -1.999 -0.173 1.00 23.01 H new ATOM 0 HG22 ILE A 48 -13.259 -2.245 -1.192 1.00 23.01 H new ATOM 0 HG23 ILE A 48 -13.409 -2.273 0.581 1.00 23.01 H new ATOM 0 HD11 ILE A 48 -11.685 -4.693 3.111 1.00 73.24 H new ATOM 0 HD12 ILE A 48 -12.607 -3.305 2.488 1.00 73.24 H new ATOM 0 HD13 ILE A 48 -13.266 -4.951 2.335 1.00 73.24 H new ATOM 819 N LYS A 49 -14.333 -4.829 -2.803 1.00 13.20 N ATOM 820 CA LYS A 49 -15.115 -4.485 -4.011 1.00 22.24 C ATOM 821 C LYS A 49 -16.488 -5.179 -3.947 1.00 2.22 C ATOM 822 O LYS A 49 -17.491 -4.642 -4.423 1.00 65.31 O ATOM 823 CB LYS A 49 -14.360 -4.892 -5.305 1.00 55.11 C ATOM 824 CG LYS A 49 -12.969 -4.235 -5.471 1.00 43.01 C ATOM 825 CD LYS A 49 -12.266 -4.644 -6.791 1.00 72.01 C ATOM 826 CE LYS A 49 -10.786 -4.221 -6.837 1.00 72.01 C ATOM 827 NZ LYS A 49 -10.607 -2.766 -6.619 1.00 74.40 N ATOM 0 H LYS A 49 -13.524 -5.423 -2.985 1.00 13.20 H new ATOM 0 HA LYS A 49 -15.256 -3.404 -4.039 1.00 22.24 H new ATOM 0 HB2 LYS A 49 -14.239 -5.975 -5.314 1.00 55.11 H new ATOM 0 HB3 LYS A 49 -14.975 -4.632 -6.166 1.00 55.11 H new ATOM 0 HG2 LYS A 49 -13.079 -3.151 -5.444 1.00 43.01 H new ATOM 0 HG3 LYS A 49 -12.338 -4.513 -4.627 1.00 43.01 H new ATOM 0 HD2 LYS A 49 -12.334 -5.725 -6.913 1.00 72.01 H new ATOM 0 HD3 LYS A 49 -12.794 -4.194 -7.632 1.00 72.01 H new ATOM 0 HE2 LYS A 49 -10.230 -4.770 -6.077 1.00 72.01 H new ATOM 0 HE3 LYS A 49 -10.362 -4.496 -7.803 1.00 72.01 H new ATOM 0 HZ1 LYS A 49 -9.686 -2.469 -6.999 1.00 74.40 H new ATOM 0 HZ2 LYS A 49 -11.366 -2.246 -7.104 1.00 74.40 H new ATOM 0 HZ3 LYS A 49 -10.644 -2.561 -5.600 1.00 74.40 H new ATOM 841 N LYS A 50 -16.499 -6.378 -3.327 1.00 71.33 N ATOM 842 CA LYS A 50 -17.715 -7.168 -3.066 1.00 25.40 C ATOM 843 C LYS A 50 -18.600 -6.485 -1.993 1.00 62.41 C ATOM 844 O LYS A 50 -19.830 -6.641 -2.004 1.00 5.01 O ATOM 845 CB LYS A 50 -17.281 -8.615 -2.673 1.00 3.44 C ATOM 846 CG LYS A 50 -18.416 -9.656 -2.432 1.00 40.53 C ATOM 847 CD LYS A 50 -18.940 -9.710 -0.971 1.00 73.14 C ATOM 848 CE LYS A 50 -17.839 -10.070 0.043 1.00 12.01 C ATOM 849 NZ LYS A 50 -18.381 -10.198 1.424 1.00 52.22 N ATOM 0 H LYS A 50 -15.649 -6.829 -2.990 1.00 71.33 H new ATOM 0 HA LYS A 50 -18.335 -7.226 -3.960 1.00 25.40 H new ATOM 0 HB2 LYS A 50 -16.631 -8.999 -3.460 1.00 3.44 H new ATOM 0 HB3 LYS A 50 -16.680 -8.553 -1.766 1.00 3.44 H new ATOM 0 HG2 LYS A 50 -19.250 -9.426 -3.095 1.00 40.53 H new ATOM 0 HG3 LYS A 50 -18.050 -10.644 -2.710 1.00 40.53 H new ATOM 0 HD2 LYS A 50 -19.369 -8.743 -0.707 1.00 73.14 H new ATOM 0 HD3 LYS A 50 -19.743 -10.444 -0.904 1.00 73.14 H new ATOM 0 HE2 LYS A 50 -17.367 -11.007 -0.251 1.00 12.01 H new ATOM 0 HE3 LYS A 50 -17.064 -9.304 0.026 1.00 12.01 H new ATOM 0 HZ1 LYS A 50 -17.610 -10.441 2.078 1.00 52.22 H new ATOM 0 HZ2 LYS A 50 -18.810 -9.296 1.714 1.00 52.22 H new ATOM 0 HZ3 LYS A 50 -19.102 -10.947 1.446 1.00 52.22 H new ATOM 863 N LEU A 51 -17.972 -5.714 -1.085 1.00 10.34 N ATOM 864 CA LEU A 51 -18.712 -4.886 -0.111 1.00 45.35 C ATOM 865 C LEU A 51 -19.345 -3.692 -0.847 1.00 25.03 C ATOM 866 O LEU A 51 -20.499 -3.329 -0.587 1.00 10.20 O ATOM 867 CB LEU A 51 -17.794 -4.395 1.053 1.00 21.34 C ATOM 868 CG LEU A 51 -17.230 -5.504 2.003 1.00 54.53 C ATOM 869 CD1 LEU A 51 -16.335 -4.894 3.103 1.00 74.33 C ATOM 870 CD2 LEU A 51 -18.359 -6.362 2.611 1.00 1.14 C ATOM 0 H LEU A 51 -16.957 -5.647 -1.005 1.00 10.34 H new ATOM 0 HA LEU A 51 -19.493 -5.497 0.341 1.00 45.35 H new ATOM 0 HB2 LEU A 51 -16.952 -3.854 0.621 1.00 21.34 H new ATOM 0 HB3 LEU A 51 -18.356 -3.681 1.655 1.00 21.34 H new ATOM 0 HG LEU A 51 -16.610 -6.166 1.398 1.00 54.53 H new ATOM 0 HD11 LEU A 51 -15.958 -5.688 3.747 1.00 74.33 H new ATOM 0 HD12 LEU A 51 -15.497 -4.372 2.642 1.00 74.33 H new ATOM 0 HD13 LEU A 51 -16.918 -4.190 3.698 1.00 74.33 H new ATOM 0 HD21 LEU A 51 -17.928 -7.121 3.264 1.00 1.14 H new ATOM 0 HD22 LEU A 51 -19.030 -5.725 3.188 1.00 1.14 H new ATOM 0 HD23 LEU A 51 -18.918 -6.847 1.811 1.00 1.14 H new ATOM 882 N GLY A 52 -18.576 -3.133 -1.808 1.00 71.01 N ATOM 883 CA GLY A 52 -19.017 -2.001 -2.615 1.00 41.32 C ATOM 884 C GLY A 52 -19.277 -0.768 -1.765 1.00 45.41 C ATOM 885 O GLY A 52 -20.410 -0.302 -1.674 1.00 25.31 O ATOM 0 H GLY A 52 -17.638 -3.461 -2.036 1.00 71.01 H new ATOM 0 HA2 GLY A 52 -18.260 -1.772 -3.365 1.00 41.32 H new ATOM 0 HA3 GLY A 52 -19.926 -2.270 -3.152 1.00 41.32 H new ATOM 889 N CYS A 53 -18.225 -0.270 -1.104 1.00 32.33 N ATOM 890 CA CYS A 53 -18.330 0.848 -0.154 1.00 64.14 C ATOM 891 C CYS A 53 -18.266 2.210 -0.855 1.00 51.21 C ATOM 892 O CYS A 53 -17.653 2.343 -1.927 1.00 2.33 O ATOM 893 CB CYS A 53 -17.220 0.727 0.892 1.00 52.24 C ATOM 894 SG CYS A 53 -17.274 -0.863 1.774 1.00 4.42 S ATOM 0 H CYS A 53 -17.277 -0.630 -1.211 1.00 32.33 H new ATOM 0 HA CYS A 53 -19.304 0.791 0.333 1.00 64.14 H new ATOM 0 HB2 CYS A 53 -16.251 0.837 0.405 1.00 52.24 H new ATOM 0 HB3 CYS A 53 -17.310 1.542 1.610 1.00 52.24 H new ATOM 899 N LYS A 54 -18.906 3.211 -0.218 1.00 34.13 N ATOM 900 CA LYS A 54 -18.941 4.603 -0.703 1.00 22.40 C ATOM 901 C LYS A 54 -17.539 5.224 -0.620 1.00 63.31 C ATOM 902 O LYS A 54 -17.131 5.966 -1.504 1.00 61.13 O ATOM 903 CB LYS A 54 -19.949 5.443 0.136 1.00 45.11 C ATOM 904 CG LYS A 54 -21.378 4.855 0.227 1.00 30.44 C ATOM 905 CD LYS A 54 -22.055 4.636 -1.148 1.00 20.23 C ATOM 906 CE LYS A 54 -22.278 5.937 -1.939 1.00 63.44 C ATOM 907 NZ LYS A 54 -22.942 5.676 -3.246 1.00 25.03 N ATOM 0 H LYS A 54 -19.417 3.074 0.654 1.00 34.13 H new ATOM 0 HA LYS A 54 -19.268 4.603 -1.743 1.00 22.40 H new ATOM 0 HB2 LYS A 54 -19.554 5.554 1.146 1.00 45.11 H new ATOM 0 HB3 LYS A 54 -20.011 6.443 -0.294 1.00 45.11 H new ATOM 0 HG2 LYS A 54 -21.335 3.903 0.756 1.00 30.44 H new ATOM 0 HG3 LYS A 54 -21.998 5.524 0.824 1.00 30.44 H new ATOM 0 HD2 LYS A 54 -21.441 3.960 -1.743 1.00 20.23 H new ATOM 0 HD3 LYS A 54 -23.016 4.144 -0.996 1.00 20.23 H new ATOM 0 HE2 LYS A 54 -22.889 6.622 -1.350 1.00 63.44 H new ATOM 0 HE3 LYS A 54 -21.320 6.429 -2.108 1.00 63.44 H new ATOM 0 HZ1 LYS A 54 -23.077 6.574 -3.752 1.00 25.03 H new ATOM 0 HZ2 LYS A 54 -22.347 5.042 -3.817 1.00 25.03 H new ATOM 0 HZ3 LYS A 54 -23.867 5.229 -3.082 1.00 25.03 H new ATOM 921 N ARG A 55 -16.827 4.904 0.468 1.00 44.54 N ATOM 922 CA ARG A 55 -15.435 5.323 0.704 1.00 62.00 C ATOM 923 C ARG A 55 -14.664 4.185 1.389 1.00 0.12 C ATOM 924 O ARG A 55 -15.207 3.474 2.240 1.00 53.20 O ATOM 925 CB ARG A 55 -15.377 6.639 1.560 1.00 44.13 C ATOM 926 CG ARG A 55 -14.044 6.886 2.323 1.00 74.24 C ATOM 927 CD ARG A 55 -13.892 8.323 2.867 1.00 33.14 C ATOM 928 NE ARG A 55 -13.427 9.254 1.827 1.00 23.53 N ATOM 929 CZ ARG A 55 -12.645 10.327 2.039 1.00 63.21 C ATOM 930 NH1 ARG A 55 -12.236 10.649 3.269 1.00 72.22 N ATOM 931 NH2 ARG A 55 -12.242 11.059 1.008 1.00 74.54 N ATOM 0 H ARG A 55 -17.208 4.336 1.225 1.00 44.54 H new ATOM 0 HA ARG A 55 -14.966 5.540 -0.256 1.00 62.00 H new ATOM 0 HB2 ARG A 55 -15.561 7.488 0.901 1.00 44.13 H new ATOM 0 HB3 ARG A 55 -16.191 6.616 2.285 1.00 44.13 H new ATOM 0 HG2 ARG A 55 -13.977 6.184 3.154 1.00 74.24 H new ATOM 0 HG3 ARG A 55 -13.209 6.670 1.656 1.00 74.24 H new ATOM 0 HD2 ARG A 55 -14.849 8.666 3.260 1.00 33.14 H new ATOM 0 HD3 ARG A 55 -13.187 8.324 3.698 1.00 33.14 H new ATOM 0 HE ARG A 55 -13.722 9.071 0.868 1.00 23.53 H new ATOM 0 HH11 ARG A 55 -12.517 10.077 4.066 1.00 72.22 H new ATOM 0 HH12 ARG A 55 -11.643 11.467 3.412 1.00 72.22 H new ATOM 0 HH21 ARG A 55 -12.526 10.806 0.061 1.00 74.54 H new ATOM 0 HH22 ARG A 55 -11.649 11.874 1.162 1.00 74.54 H new ATOM 945 N VAL A 56 -13.401 4.008 0.974 1.00 21.32 N ATOM 946 CA VAL A 56 -12.437 3.103 1.610 1.00 63.42 C ATOM 947 C VAL A 56 -11.179 3.908 2.010 1.00 34.51 C ATOM 948 O VAL A 56 -10.726 4.787 1.260 1.00 22.55 O ATOM 949 CB VAL A 56 -12.063 1.895 0.661 1.00 64.05 C ATOM 950 CG1 VAL A 56 -13.305 1.019 0.383 1.00 13.01 C ATOM 951 CG2 VAL A 56 -11.418 2.369 -0.669 1.00 32.25 C ATOM 0 H VAL A 56 -13.015 4.502 0.169 1.00 21.32 H new ATOM 0 HA VAL A 56 -12.890 2.673 2.503 1.00 63.42 H new ATOM 0 HB VAL A 56 -11.317 1.295 1.182 1.00 64.05 H new ATOM 0 HG11 VAL A 56 -13.028 0.193 -0.272 1.00 13.01 H new ATOM 0 HG12 VAL A 56 -13.689 0.624 1.323 1.00 13.01 H new ATOM 0 HG13 VAL A 56 -14.075 1.622 -0.099 1.00 13.01 H new ATOM 0 HG21 VAL A 56 -11.179 1.503 -1.286 1.00 32.25 H new ATOM 0 HG22 VAL A 56 -12.116 3.014 -1.203 1.00 32.25 H new ATOM 0 HG23 VAL A 56 -10.505 2.924 -0.453 1.00 32.25 H new ATOM 961 N ARG A 57 -10.660 3.651 3.222 1.00 14.22 N ATOM 962 CA ARG A 57 -9.381 4.219 3.694 1.00 60.32 C ATOM 963 C ARG A 57 -8.358 3.089 3.820 1.00 5.13 C ATOM 964 O ARG A 57 -8.447 2.275 4.739 1.00 23.13 O ATOM 965 CB ARG A 57 -9.549 4.987 5.054 1.00 4.21 C ATOM 966 CG ARG A 57 -9.777 6.511 4.903 1.00 53.15 C ATOM 967 CD ARG A 57 -9.767 7.252 6.254 1.00 45.33 C ATOM 968 NE ARG A 57 -9.629 8.713 6.093 1.00 5.03 N ATOM 969 CZ ARG A 57 -9.508 9.585 7.109 1.00 22.24 C ATOM 970 NH1 ARG A 57 -9.511 9.162 8.373 1.00 31.21 N ATOM 971 NH2 ARG A 57 -9.362 10.876 6.859 1.00 2.32 N ATOM 0 H ARG A 57 -11.114 3.044 3.904 1.00 14.22 H new ATOM 0 HA ARG A 57 -9.030 4.952 2.968 1.00 60.32 H new ATOM 0 HB2 ARG A 57 -10.390 4.558 5.598 1.00 4.21 H new ATOM 0 HB3 ARG A 57 -8.659 4.823 5.662 1.00 4.21 H new ATOM 0 HG2 ARG A 57 -9.002 6.928 4.259 1.00 53.15 H new ATOM 0 HG3 ARG A 57 -10.732 6.684 4.406 1.00 53.15 H new ATOM 0 HD2 ARG A 57 -10.690 7.034 6.792 1.00 45.33 H new ATOM 0 HD3 ARG A 57 -8.946 6.877 6.865 1.00 45.33 H new ATOM 0 HE ARG A 57 -9.625 9.087 5.144 1.00 5.03 H new ATOM 0 HH11 ARG A 57 -9.606 8.167 8.578 1.00 31.21 H new ATOM 0 HH12 ARG A 57 -9.418 9.833 9.136 1.00 31.21 H new ATOM 0 HH21 ARG A 57 -9.341 11.210 5.895 1.00 2.32 H new ATOM 0 HH22 ARG A 57 -9.270 11.538 7.630 1.00 2.32 H new ATOM 985 N ILE A 58 -7.403 3.057 2.881 1.00 41.20 N ATOM 986 CA ILE A 58 -6.329 2.063 2.828 1.00 12.01 C ATOM 987 C ILE A 58 -5.097 2.656 3.532 1.00 65.30 C ATOM 988 O ILE A 58 -4.453 3.559 2.988 1.00 25.32 O ATOM 989 CB ILE A 58 -5.939 1.714 1.336 1.00 20.35 C ATOM 990 CG1 ILE A 58 -7.206 1.489 0.455 1.00 21.42 C ATOM 991 CG2 ILE A 58 -5.002 0.480 1.294 1.00 32.43 C ATOM 992 CD1 ILE A 58 -6.933 1.390 -1.039 1.00 54.25 C ATOM 0 H ILE A 58 -7.357 3.737 2.122 1.00 41.20 H new ATOM 0 HA ILE A 58 -6.669 1.149 3.315 1.00 12.01 H new ATOM 0 HB ILE A 58 -5.401 2.566 0.920 1.00 20.35 H new ATOM 0 HG12 ILE A 58 -7.701 0.574 0.781 1.00 21.42 H new ATOM 0 HG13 ILE A 58 -7.903 2.308 0.630 1.00 21.42 H new ATOM 0 HG21 ILE A 58 -4.744 0.254 0.259 1.00 32.43 H new ATOM 0 HG22 ILE A 58 -4.093 0.694 1.856 1.00 32.43 H new ATOM 0 HG23 ILE A 58 -5.509 -0.377 1.737 1.00 32.43 H new ATOM 0 HD11 ILE A 58 -7.872 1.234 -1.571 1.00 54.25 H new ATOM 0 HD12 ILE A 58 -6.469 2.313 -1.386 1.00 54.25 H new ATOM 0 HD13 ILE A 58 -6.263 0.552 -1.232 1.00 54.25 H new ATOM 1004 N SER A 59 -4.778 2.172 4.733 1.00 3.02 N ATOM 1005 CA SER A 59 -3.621 2.644 5.491 1.00 73.22 C ATOM 1006 C SER A 59 -2.501 1.625 5.280 1.00 75.32 C ATOM 1007 O SER A 59 -2.540 0.529 5.840 1.00 63.31 O ATOM 1008 CB SER A 59 -3.990 2.790 6.986 1.00 73.01 C ATOM 1009 OG SER A 59 -5.125 3.626 7.150 1.00 64.41 O ATOM 0 H SER A 59 -5.313 1.444 5.206 1.00 3.02 H new ATOM 0 HA SER A 59 -3.294 3.627 5.151 1.00 73.22 H new ATOM 0 HB2 SER A 59 -4.193 1.807 7.412 1.00 73.01 H new ATOM 0 HB3 SER A 59 -3.145 3.206 7.534 1.00 73.01 H new ATOM 0 HG SER A 59 -5.340 3.702 8.103 1.00 64.41 H new ATOM 1015 N ILE A 60 -1.543 1.971 4.413 1.00 24.44 N ATOM 1016 CA ILE A 60 -0.388 1.122 4.104 1.00 54.31 C ATOM 1017 C ILE A 60 0.788 1.580 4.964 1.00 60.32 C ATOM 1018 O ILE A 60 1.341 2.669 4.758 1.00 52.35 O ATOM 1019 CB ILE A 60 -0.038 1.184 2.568 1.00 13.13 C ATOM 1020 CG1 ILE A 60 -1.206 0.571 1.728 1.00 72.43 C ATOM 1021 CG2 ILE A 60 1.313 0.492 2.251 1.00 73.34 C ATOM 1022 CD1 ILE A 60 -1.013 0.612 0.221 1.00 44.02 C ATOM 0 H ILE A 60 -1.548 2.854 3.903 1.00 24.44 H new ATOM 0 HA ILE A 60 -0.620 0.081 4.331 1.00 54.31 H new ATOM 0 HB ILE A 60 0.079 2.232 2.290 1.00 13.13 H new ATOM 0 HG12 ILE A 60 -1.345 -0.467 2.032 1.00 72.43 H new ATOM 0 HG13 ILE A 60 -2.126 1.101 1.975 1.00 72.43 H new ATOM 0 HG21 ILE A 60 1.514 0.559 1.182 1.00 73.34 H new ATOM 0 HG22 ILE A 60 2.113 0.986 2.802 1.00 73.34 H new ATOM 0 HG23 ILE A 60 1.263 -0.556 2.546 1.00 73.34 H new ATOM 0 HD11 ILE A 60 -1.877 0.163 -0.269 1.00 44.02 H new ATOM 0 HD12 ILE A 60 -0.908 1.647 -0.104 1.00 44.02 H new ATOM 0 HD13 ILE A 60 -0.115 0.055 -0.046 1.00 44.02 H new ATOM 1034 N ARG A 61 1.127 0.757 5.959 1.00 33.04 N ATOM 1035 CA ARG A 61 2.204 1.035 6.902 1.00 73.40 C ATOM 1036 C ARG A 61 3.476 0.372 6.348 1.00 73.54 C ATOM 1037 O ARG A 61 3.600 -0.853 6.365 1.00 45.11 O ATOM 1038 CB ARG A 61 1.828 0.488 8.323 1.00 52.33 C ATOM 1039 CG ARG A 61 2.384 1.285 9.528 1.00 32.30 C ATOM 1040 CD ARG A 61 3.923 1.353 9.594 1.00 1.41 C ATOM 1041 NE ARG A 61 4.381 2.288 10.632 1.00 31.40 N ATOM 1042 CZ ARG A 61 5.625 2.781 10.731 1.00 22.21 C ATOM 1043 NH1 ARG A 61 6.575 2.451 9.851 1.00 30.44 N ATOM 1044 NH2 ARG A 61 5.913 3.624 11.711 1.00 32.44 N ATOM 0 H ARG A 61 0.654 -0.130 6.131 1.00 33.04 H new ATOM 0 HA ARG A 61 2.371 2.106 7.013 1.00 73.40 H new ATOM 0 HB2 ARG A 61 0.741 0.459 8.403 1.00 52.33 H new ATOM 0 HB3 ARG A 61 2.181 -0.540 8.399 1.00 52.33 H new ATOM 0 HG2 ARG A 61 1.989 2.300 9.489 1.00 32.30 H new ATOM 0 HG3 ARG A 61 2.013 0.834 10.448 1.00 32.30 H new ATOM 0 HD2 ARG A 61 4.323 0.360 9.797 1.00 1.41 H new ATOM 0 HD3 ARG A 61 4.316 1.663 8.626 1.00 1.41 H new ATOM 0 HE ARG A 61 3.700 2.585 11.331 1.00 31.40 H new ATOM 0 HH11 ARG A 61 6.361 1.812 9.085 1.00 30.44 H new ATOM 0 HH12 ARG A 61 7.514 2.838 9.945 1.00 30.44 H new ATOM 0 HH21 ARG A 61 5.192 3.892 12.381 1.00 32.44 H new ATOM 0 HH22 ARG A 61 6.855 4.005 11.796 1.00 32.44 H new ATOM 1058 N VAL A 62 4.393 1.193 5.836 1.00 53.33 N ATOM 1059 CA VAL A 62 5.683 0.732 5.314 1.00 71.14 C ATOM 1060 C VAL A 62 6.706 0.807 6.450 1.00 52.34 C ATOM 1061 O VAL A 62 6.986 1.883 6.985 1.00 74.52 O ATOM 1062 CB VAL A 62 6.134 1.605 4.072 1.00 1.51 C ATOM 1063 CG1 VAL A 62 7.640 1.445 3.746 1.00 34.40 C ATOM 1064 CG2 VAL A 62 5.266 1.258 2.841 1.00 61.32 C ATOM 0 H VAL A 62 4.263 2.203 5.771 1.00 53.33 H new ATOM 0 HA VAL A 62 5.601 -0.296 4.961 1.00 71.14 H new ATOM 0 HB VAL A 62 5.984 2.652 4.337 1.00 1.51 H new ATOM 0 HG11 VAL A 62 7.894 2.065 2.887 1.00 34.40 H new ATOM 0 HG12 VAL A 62 8.233 1.756 4.606 1.00 34.40 H new ATOM 0 HG13 VAL A 62 7.854 0.401 3.516 1.00 34.40 H new ATOM 0 HG21 VAL A 62 5.582 1.862 1.991 1.00 61.32 H new ATOM 0 HG22 VAL A 62 5.384 0.202 2.599 1.00 61.32 H new ATOM 0 HG23 VAL A 62 4.219 1.465 3.064 1.00 61.32 H new ATOM 1074 N LYS A 63 7.199 -0.362 6.873 1.00 32.04 N ATOM 1075 CA LYS A 63 8.218 -0.450 7.915 1.00 35.24 C ATOM 1076 C LYS A 63 9.593 -0.277 7.254 1.00 72.30 C ATOM 1077 O LYS A 63 10.049 -1.179 6.538 1.00 3.32 O ATOM 1078 CB LYS A 63 8.118 -1.812 8.660 1.00 0.21 C ATOM 1079 CG LYS A 63 8.876 -1.857 10.011 1.00 30.21 C ATOM 1080 CD LYS A 63 8.618 -3.165 10.798 1.00 2.24 C ATOM 1081 CE LYS A 63 9.262 -4.401 10.149 1.00 63.01 C ATOM 1082 NZ LYS A 63 10.746 -4.338 10.173 1.00 65.25 N ATOM 0 H LYS A 63 6.903 -1.266 6.504 1.00 32.04 H new ATOM 0 HA LYS A 63 8.069 0.334 8.657 1.00 35.24 H new ATOM 0 HB2 LYS A 63 7.067 -2.039 8.839 1.00 0.21 H new ATOM 0 HB3 LYS A 63 8.508 -2.597 8.012 1.00 0.21 H new ATOM 0 HG2 LYS A 63 9.945 -1.754 9.826 1.00 30.21 H new ATOM 0 HG3 LYS A 63 8.574 -1.005 10.621 1.00 30.21 H new ATOM 0 HD2 LYS A 63 9.003 -3.053 11.812 1.00 2.24 H new ATOM 0 HD3 LYS A 63 7.543 -3.325 10.881 1.00 2.24 H new ATOM 0 HE2 LYS A 63 8.930 -5.298 10.671 1.00 63.01 H new ATOM 0 HE3 LYS A 63 8.920 -4.487 9.118 1.00 63.01 H new ATOM 0 HZ1 LYS A 63 11.137 -5.246 9.851 1.00 65.25 H new ATOM 0 HZ2 LYS A 63 11.071 -3.577 9.543 1.00 65.25 H new ATOM 0 HZ3 LYS A 63 11.070 -4.146 11.143 1.00 65.25 H new ATOM 1096 N HIS A 64 10.214 0.905 7.445 1.00 71.24 N ATOM 1097 CA HIS A 64 11.557 1.197 6.911 1.00 40.24 C ATOM 1098 C HIS A 64 12.586 0.266 7.581 1.00 44.42 C ATOM 1099 O HIS A 64 12.506 0.014 8.793 1.00 31.31 O ATOM 1100 CB HIS A 64 11.931 2.687 7.148 1.00 75.22 C ATOM 1101 CG HIS A 64 12.188 3.036 8.595 1.00 22.44 C ATOM 1102 ND1 HIS A 64 13.440 2.943 9.164 1.00 14.44 N ATOM 1103 CD2 HIS A 64 11.359 3.442 9.586 1.00 30.22 C ATOM 1104 CE1 HIS A 64 13.371 3.271 10.433 1.00 64.42 C ATOM 1105 NE2 HIS A 64 12.124 3.577 10.716 1.00 32.30 N ATOM 0 H HIS A 64 9.802 1.677 7.969 1.00 71.24 H new ATOM 0 HA HIS A 64 11.560 1.020 5.835 1.00 40.24 H new ATOM 0 HB2 HIS A 64 12.821 2.924 6.565 1.00 75.22 H new ATOM 0 HB3 HIS A 64 11.125 3.317 6.771 1.00 75.22 H new ATOM 0 HD1 HIS A 64 14.290 2.662 8.674 1.00 14.44 H new ATOM 0 HD2 HIS A 64 10.298 3.625 9.502 1.00 30.22 H new ATOM 0 HE1 HIS A 64 14.198 3.287 11.127 1.00 64.42 H new ATOM 1114 N SER A 65 13.535 -0.236 6.791 1.00 74.01 N ATOM 1115 CA SER A 65 14.511 -1.233 7.242 1.00 42.25 C ATOM 1116 C SER A 65 15.661 -0.578 8.024 1.00 50.15 C ATOM 1117 O SER A 65 16.148 -1.145 9.008 1.00 60.41 O ATOM 1118 CB SER A 65 15.053 -2.023 6.031 1.00 14.54 C ATOM 1119 OG SER A 65 15.919 -3.073 6.437 1.00 11.31 O ATOM 0 H SER A 65 13.650 0.038 5.815 1.00 74.01 H new ATOM 0 HA SER A 65 14.008 -1.923 7.919 1.00 42.25 H new ATOM 0 HB2 SER A 65 14.220 -2.437 5.463 1.00 14.54 H new ATOM 0 HB3 SER A 65 15.588 -1.347 5.364 1.00 14.54 H new ATOM 0 HG SER A 65 15.750 -3.867 5.888 1.00 11.31 H new ATOM 1125 N ASP A 66 16.073 0.625 7.591 1.00 74.24 N ATOM 1126 CA ASP A 66 17.240 1.342 8.152 1.00 63.31 C ATOM 1127 C ASP A 66 16.827 2.751 8.615 1.00 42.41 C ATOM 1128 O ASP A 66 16.093 3.445 7.911 1.00 33.03 O ATOM 1129 CB ASP A 66 18.362 1.436 7.091 1.00 11.04 C ATOM 1130 CG ASP A 66 18.964 0.069 6.732 1.00 54.25 C ATOM 1131 OD1 ASP A 66 18.424 -0.622 5.840 1.00 4.40 O ATOM 1132 OD2 ASP A 66 19.974 -0.337 7.350 1.00 24.43 O ATOM 0 H ASP A 66 15.607 1.133 6.839 1.00 74.24 H new ATOM 0 HA ASP A 66 17.614 0.788 9.013 1.00 63.31 H new ATOM 0 HB2 ASP A 66 17.963 1.900 6.189 1.00 11.04 H new ATOM 0 HB3 ASP A 66 19.152 2.089 7.462 1.00 11.04 H new ATOM 1137 N ALA A 67 17.335 3.166 9.791 1.00 24.31 N ATOM 1138 CA ALA A 67 16.952 4.434 10.449 1.00 41.33 C ATOM 1139 C ALA A 67 17.672 5.659 9.838 1.00 41.22 C ATOM 1140 O ALA A 67 17.280 6.801 10.084 1.00 2.20 O ATOM 1141 CB ALA A 67 17.203 4.332 11.964 1.00 3.11 C ATOM 0 H ALA A 67 18.026 2.630 10.316 1.00 24.31 H new ATOM 0 HA ALA A 67 15.887 4.592 10.276 1.00 41.33 H new ATOM 0 HB1 ALA A 67 16.919 5.269 12.444 1.00 3.11 H new ATOM 0 HB2 ALA A 67 16.608 3.518 12.377 1.00 3.11 H new ATOM 0 HB3 ALA A 67 18.260 4.137 12.145 1.00 3.11 H new ATOM 1147 N ALA A 68 18.739 5.415 9.064 1.00 25.42 N ATOM 1148 CA ALA A 68 19.416 6.458 8.271 1.00 4.52 C ATOM 1149 C ALA A 68 18.716 6.605 6.911 1.00 63.44 C ATOM 1150 O ALA A 68 18.434 7.718 6.450 1.00 30.42 O ATOM 1151 CB ALA A 68 20.901 6.106 8.086 1.00 23.21 C ATOM 0 H ALA A 68 19.159 4.490 8.968 1.00 25.42 H new ATOM 0 HA ALA A 68 19.358 7.409 8.800 1.00 4.52 H new ATOM 0 HB1 ALA A 68 21.389 6.884 7.499 1.00 23.21 H new ATOM 0 HB2 ALA A 68 21.382 6.032 9.061 1.00 23.21 H new ATOM 0 HB3 ALA A 68 20.987 5.152 7.566 1.00 23.21 H new ATOM 1157 N GLU A 69 18.418 5.445 6.305 1.00 40.44 N ATOM 1158 CA GLU A 69 17.828 5.344 4.955 1.00 11.24 C ATOM 1159 C GLU A 69 16.321 5.664 4.936 1.00 24.23 C ATOM 1160 O GLU A 69 15.772 5.836 3.868 1.00 72.44 O ATOM 1161 CB GLU A 69 18.092 3.930 4.360 1.00 40.02 C ATOM 1162 CG GLU A 69 19.584 3.562 4.197 1.00 71.42 C ATOM 1163 CD GLU A 69 20.300 4.371 3.094 1.00 20.33 C ATOM 1164 OE1 GLU A 69 20.823 5.466 3.369 1.00 1.44 O ATOM 1165 OE2 GLU A 69 20.361 3.898 1.940 1.00 21.45 O ATOM 0 H GLU A 69 18.581 4.538 6.742 1.00 40.44 H new ATOM 0 HA GLU A 69 18.315 6.097 4.336 1.00 11.24 H new ATOM 0 HB2 GLU A 69 17.617 3.187 5.001 1.00 40.02 H new ATOM 0 HB3 GLU A 69 17.608 3.866 3.385 1.00 40.02 H new ATOM 0 HG2 GLU A 69 20.096 3.724 5.146 1.00 71.42 H new ATOM 0 HG3 GLU A 69 19.665 2.499 3.968 1.00 71.42 H new ATOM 1172 N GLU A 70 15.662 5.699 6.116 1.00 42.40 N ATOM 1173 CA GLU A 70 14.190 5.920 6.239 1.00 22.34 C ATOM 1174 C GLU A 70 13.655 7.153 5.460 1.00 43.35 C ATOM 1175 O GLU A 70 12.506 7.147 5.013 1.00 62.05 O ATOM 1176 CB GLU A 70 13.785 6.052 7.726 1.00 41.42 C ATOM 1177 CG GLU A 70 14.512 7.167 8.490 1.00 20.21 C ATOM 1178 CD GLU A 70 13.953 7.415 9.901 1.00 44.01 C ATOM 1179 OE1 GLU A 70 14.225 6.611 10.815 1.00 44.41 O ATOM 1180 OE2 GLU A 70 13.229 8.418 10.095 1.00 24.03 O ATOM 0 H GLU A 70 16.129 5.576 7.014 1.00 42.40 H new ATOM 0 HA GLU A 70 13.734 5.040 5.785 1.00 22.34 H new ATOM 0 HB2 GLU A 70 12.711 6.232 7.782 1.00 41.42 H new ATOM 0 HB3 GLU A 70 13.976 5.103 8.226 1.00 41.42 H new ATOM 0 HG2 GLU A 70 15.569 6.913 8.567 1.00 20.21 H new ATOM 0 HG3 GLU A 70 14.447 8.091 7.915 1.00 20.21 H new ATOM 1187 N LYS A 71 14.489 8.209 5.326 1.00 2.24 N ATOM 1188 CA LYS A 71 14.135 9.414 4.537 1.00 33.24 C ATOM 1189 C LYS A 71 14.046 9.042 3.048 1.00 64.41 C ATOM 1190 O LYS A 71 13.131 9.457 2.345 1.00 40.42 O ATOM 1191 CB LYS A 71 15.169 10.564 4.733 1.00 44.01 C ATOM 1192 CG LYS A 71 15.156 11.251 6.128 1.00 2.24 C ATOM 1193 CD LYS A 71 15.793 10.398 7.246 1.00 40.21 C ATOM 1194 CE LYS A 71 15.595 11.000 8.648 1.00 34.02 C ATOM 1195 NZ LYS A 71 14.159 11.057 9.030 1.00 30.12 N ATOM 0 H LYS A 71 15.414 8.252 5.754 1.00 2.24 H new ATOM 0 HA LYS A 71 13.170 9.776 4.892 1.00 33.24 H new ATOM 0 HB2 LYS A 71 16.167 10.165 4.554 1.00 44.01 H new ATOM 0 HB3 LYS A 71 14.989 11.324 3.972 1.00 44.01 H new ATOM 0 HG2 LYS A 71 15.687 12.201 6.060 1.00 2.24 H new ATOM 0 HG3 LYS A 71 14.126 11.481 6.401 1.00 2.24 H new ATOM 0 HD2 LYS A 71 15.362 9.397 7.222 1.00 40.21 H new ATOM 0 HD3 LYS A 71 16.860 10.290 7.050 1.00 40.21 H new ATOM 0 HE2 LYS A 71 16.142 10.404 9.379 1.00 34.02 H new ATOM 0 HE3 LYS A 71 16.018 12.004 8.675 1.00 34.02 H new ATOM 0 HZ1 LYS A 71 14.071 11.437 9.994 1.00 30.12 H new ATOM 0 HZ2 LYS A 71 13.648 11.673 8.367 1.00 30.12 H new ATOM 0 HZ3 LYS A 71 13.753 10.100 8.997 1.00 30.12 H new ATOM 1209 N LYS A 72 15.014 8.225 2.613 1.00 1.40 N ATOM 1210 CA LYS A 72 15.104 7.700 1.246 1.00 3.00 C ATOM 1211 C LYS A 72 13.997 6.646 0.991 1.00 74.14 C ATOM 1212 O LYS A 72 13.431 6.622 -0.087 1.00 53.11 O ATOM 1213 CB LYS A 72 16.518 7.084 1.039 1.00 43.52 C ATOM 1214 CG LYS A 72 16.790 6.456 -0.353 1.00 60.51 C ATOM 1215 CD LYS A 72 18.183 5.776 -0.426 1.00 5.21 C ATOM 1216 CE LYS A 72 19.351 6.747 -0.162 1.00 42.24 C ATOM 1217 NZ LYS A 72 20.666 6.044 -0.108 1.00 10.13 N ATOM 0 H LYS A 72 15.772 7.904 3.215 1.00 1.40 H new ATOM 0 HA LYS A 72 14.954 8.509 0.531 1.00 3.00 H new ATOM 0 HB2 LYS A 72 17.261 7.862 1.216 1.00 43.52 H new ATOM 0 HB3 LYS A 72 16.673 6.317 1.798 1.00 43.52 H new ATOM 0 HG2 LYS A 72 16.016 5.721 -0.576 1.00 60.51 H new ATOM 0 HG3 LYS A 72 16.724 7.230 -1.118 1.00 60.51 H new ATOM 0 HD2 LYS A 72 18.222 4.965 0.302 1.00 5.21 H new ATOM 0 HD3 LYS A 72 18.309 5.327 -1.411 1.00 5.21 H new ATOM 0 HE2 LYS A 72 19.377 7.503 -0.946 1.00 42.24 H new ATOM 0 HE3 LYS A 72 19.181 7.270 0.779 1.00 42.24 H new ATOM 0 HZ1 LYS A 72 21.408 6.717 0.171 1.00 10.13 H new ATOM 0 HZ2 LYS A 72 20.619 5.272 0.587 1.00 10.13 H new ATOM 0 HZ3 LYS A 72 20.889 5.652 -1.045 1.00 10.13 H new ATOM 1231 N GLU A 73 13.667 5.829 2.024 1.00 63.51 N ATOM 1232 CA GLU A 73 12.753 4.662 1.899 1.00 13.42 C ATOM 1233 C GLU A 73 11.271 5.086 1.855 1.00 23.33 C ATOM 1234 O GLU A 73 10.504 4.554 1.054 1.00 71.45 O ATOM 1235 CB GLU A 73 12.977 3.656 3.062 1.00 72.22 C ATOM 1236 CG GLU A 73 14.358 2.973 3.066 1.00 13.34 C ATOM 1237 CD GLU A 73 14.499 1.945 4.199 1.00 11.10 C ATOM 1238 OE1 GLU A 73 14.879 2.329 5.329 1.00 62.24 O ATOM 1239 OE2 GLU A 73 14.211 0.745 3.970 1.00 54.05 O ATOM 0 H GLU A 73 14.027 5.960 2.969 1.00 63.51 H new ATOM 0 HA GLU A 73 12.991 4.177 0.952 1.00 13.42 H new ATOM 0 HB2 GLU A 73 12.843 4.180 4.008 1.00 72.22 H new ATOM 0 HB3 GLU A 73 12.206 2.887 3.012 1.00 72.22 H new ATOM 0 HG2 GLU A 73 14.519 2.478 2.108 1.00 13.34 H new ATOM 0 HG3 GLU A 73 15.135 3.731 3.168 1.00 13.34 H new ATOM 1246 N ALA A 74 10.874 6.038 2.712 1.00 20.00 N ATOM 1247 CA ALA A 74 9.478 6.528 2.758 1.00 32.04 C ATOM 1248 C ALA A 74 9.171 7.386 1.512 1.00 34.04 C ATOM 1249 O ALA A 74 8.091 7.278 0.919 1.00 62.32 O ATOM 1250 CB ALA A 74 9.228 7.310 4.054 1.00 70.25 C ATOM 0 H ALA A 74 11.496 6.487 3.385 1.00 20.00 H new ATOM 0 HA ALA A 74 8.802 5.673 2.750 1.00 32.04 H new ATOM 0 HB1 ALA A 74 8.197 7.664 4.073 1.00 70.25 H new ATOM 0 HB2 ALA A 74 9.404 6.660 4.911 1.00 70.25 H new ATOM 0 HB3 ALA A 74 9.905 8.163 4.101 1.00 70.25 H new ATOM 1256 N LYS A 75 10.151 8.241 1.139 1.00 41.10 N ATOM 1257 CA LYS A 75 10.133 9.031 -0.116 1.00 4.21 C ATOM 1258 C LYS A 75 10.165 8.112 -1.366 1.00 71.22 C ATOM 1259 O LYS A 75 9.578 8.439 -2.403 1.00 21.01 O ATOM 1260 CB LYS A 75 11.340 10.013 -0.114 1.00 63.44 C ATOM 1261 CG LYS A 75 11.463 10.933 -1.350 1.00 75.31 C ATOM 1262 CD LYS A 75 12.646 11.931 -1.248 1.00 70.34 C ATOM 1263 CE LYS A 75 14.018 11.246 -1.061 1.00 34.32 C ATOM 1264 NZ LYS A 75 15.130 12.240 -1.023 1.00 32.44 N ATOM 0 H LYS A 75 10.984 8.404 1.705 1.00 41.10 H new ATOM 0 HA LYS A 75 9.204 9.599 -0.164 1.00 4.21 H new ATOM 0 HB2 LYS A 75 11.273 10.639 0.776 1.00 63.44 H new ATOM 0 HB3 LYS A 75 12.257 9.431 -0.026 1.00 63.44 H new ATOM 0 HG2 LYS A 75 11.589 10.319 -2.242 1.00 75.31 H new ATOM 0 HG3 LYS A 75 10.535 11.490 -1.475 1.00 75.31 H new ATOM 0 HD2 LYS A 75 12.674 12.542 -2.150 1.00 70.34 H new ATOM 0 HD3 LYS A 75 12.469 12.607 -0.411 1.00 70.34 H new ATOM 0 HE2 LYS A 75 14.014 10.669 -0.136 1.00 34.32 H new ATOM 0 HE3 LYS A 75 14.187 10.542 -1.875 1.00 34.32 H new ATOM 0 HZ1 LYS A 75 16.035 11.744 -0.896 1.00 32.44 H new ATOM 0 HZ2 LYS A 75 15.150 12.773 -1.916 1.00 32.44 H new ATOM 0 HZ3 LYS A 75 14.982 12.897 -0.230 1.00 32.44 H new ATOM 1278 N LYS A 76 10.865 6.964 -1.249 1.00 11.41 N ATOM 1279 CA LYS A 76 10.890 5.906 -2.289 1.00 51.41 C ATOM 1280 C LYS A 76 9.480 5.370 -2.511 1.00 43.34 C ATOM 1281 O LYS A 76 8.967 5.407 -3.629 1.00 35.43 O ATOM 1282 CB LYS A 76 11.851 4.760 -1.860 1.00 33.24 C ATOM 1283 CG LYS A 76 11.740 3.428 -2.637 1.00 51.12 C ATOM 1284 CD LYS A 76 12.777 2.377 -2.163 1.00 22.05 C ATOM 1285 CE LYS A 76 14.233 2.817 -2.415 1.00 5.03 C ATOM 1286 NZ LYS A 76 14.489 3.097 -3.859 1.00 73.42 N ATOM 0 H LYS A 76 11.431 6.741 -0.430 1.00 11.41 H new ATOM 0 HA LYS A 76 11.255 6.328 -3.225 1.00 51.41 H new ATOM 0 HB2 LYS A 76 12.875 5.123 -1.953 1.00 33.24 H new ATOM 0 HB3 LYS A 76 11.681 4.552 -0.804 1.00 33.24 H new ATOM 0 HG2 LYS A 76 10.735 3.023 -2.516 1.00 51.12 H new ATOM 0 HG3 LYS A 76 11.881 3.619 -3.701 1.00 51.12 H new ATOM 0 HD2 LYS A 76 12.638 2.191 -1.098 1.00 22.05 H new ATOM 0 HD3 LYS A 76 12.593 1.434 -2.678 1.00 22.05 H new ATOM 0 HE2 LYS A 76 14.449 3.710 -1.828 1.00 5.03 H new ATOM 0 HE3 LYS A 76 14.912 2.037 -2.071 1.00 5.03 H new ATOM 0 HZ1 LYS A 76 15.406 2.690 -4.134 1.00 73.42 H new ATOM 0 HZ2 LYS A 76 13.735 2.671 -4.434 1.00 73.42 H new ATOM 0 HZ3 LYS A 76 14.505 4.125 -4.016 1.00 73.42 H new ATOM 1300 N PHE A 77 8.838 4.953 -1.407 1.00 43.00 N ATOM 1301 CA PHE A 77 7.493 4.369 -1.423 1.00 74.23 C ATOM 1302 C PHE A 77 6.424 5.406 -1.768 1.00 3.15 C ATOM 1303 O PHE A 77 5.325 5.026 -2.139 1.00 34.13 O ATOM 1304 CB PHE A 77 7.187 3.641 -0.086 1.00 32.31 C ATOM 1305 CG PHE A 77 7.662 2.187 -0.070 1.00 2.04 C ATOM 1306 CD1 PHE A 77 8.945 1.840 0.360 1.00 44.33 C ATOM 1307 CD2 PHE A 77 6.812 1.161 -0.494 1.00 44.34 C ATOM 1308 CE1 PHE A 77 9.358 0.520 0.362 1.00 31.43 C ATOM 1309 CE2 PHE A 77 7.225 -0.150 -0.490 1.00 34.32 C ATOM 1310 CZ PHE A 77 8.495 -0.472 -0.059 1.00 4.55 C ATOM 0 H PHE A 77 9.244 5.014 -0.473 1.00 43.00 H new ATOM 0 HA PHE A 77 7.467 3.622 -2.217 1.00 74.23 H new ATOM 0 HB2 PHE A 77 7.664 4.181 0.732 1.00 32.31 H new ATOM 0 HB3 PHE A 77 6.113 3.668 0.097 1.00 32.31 H new ATOM 0 HD1 PHE A 77 9.622 2.612 0.695 1.00 44.33 H new ATOM 0 HD2 PHE A 77 5.814 1.403 -0.830 1.00 44.34 H new ATOM 0 HE1 PHE A 77 10.354 0.266 0.692 1.00 31.43 H new ATOM 0 HE2 PHE A 77 6.555 -0.928 -0.824 1.00 34.32 H new ATOM 0 HZ PHE A 77 8.815 -1.503 -0.051 1.00 4.55 H new ATOM 1320 N ALA A 78 6.732 6.706 -1.601 1.00 22.24 N ATOM 1321 CA ALA A 78 5.855 7.786 -2.079 1.00 72.42 C ATOM 1322 C ALA A 78 5.587 7.611 -3.586 1.00 52.50 C ATOM 1323 O ALA A 78 4.438 7.455 -4.002 1.00 62.22 O ATOM 1324 CB ALA A 78 6.453 9.163 -1.761 1.00 21.12 C ATOM 0 H ALA A 78 7.581 7.031 -1.139 1.00 22.24 H new ATOM 0 HA ALA A 78 4.901 7.728 -1.555 1.00 72.42 H new ATOM 0 HB1 ALA A 78 5.784 9.943 -2.125 1.00 21.12 H new ATOM 0 HB2 ALA A 78 6.577 9.266 -0.683 1.00 21.12 H new ATOM 0 HB3 ALA A 78 7.423 9.260 -2.249 1.00 21.12 H new ATOM 1330 N ALA A 79 6.682 7.533 -4.369 1.00 53.21 N ATOM 1331 CA ALA A 79 6.626 7.340 -5.829 1.00 65.20 C ATOM 1332 C ALA A 79 6.139 5.916 -6.192 1.00 12.31 C ATOM 1333 O ALA A 79 5.263 5.762 -7.042 1.00 71.23 O ATOM 1334 CB ALA A 79 8.007 7.616 -6.444 1.00 3.53 C ATOM 0 H ALA A 79 7.632 7.602 -4.004 1.00 53.21 H new ATOM 0 HA ALA A 79 5.905 8.046 -6.241 1.00 65.20 H new ATOM 0 HB1 ALA A 79 7.960 7.472 -7.523 1.00 3.53 H new ATOM 0 HB2 ALA A 79 8.303 8.642 -6.228 1.00 3.53 H new ATOM 0 HB3 ALA A 79 8.739 6.930 -6.018 1.00 3.53 H new ATOM 1340 N ILE A 80 6.704 4.899 -5.501 1.00 40.40 N ATOM 1341 CA ILE A 80 6.450 3.460 -5.760 1.00 54.01 C ATOM 1342 C ILE A 80 4.962 3.096 -5.567 1.00 42.52 C ATOM 1343 O ILE A 80 4.340 2.521 -6.471 1.00 44.13 O ATOM 1344 CB ILE A 80 7.387 2.567 -4.843 1.00 33.02 C ATOM 1345 CG1 ILE A 80 8.882 2.700 -5.287 1.00 21.52 C ATOM 1346 CG2 ILE A 80 6.962 1.085 -4.778 1.00 42.02 C ATOM 1347 CD1 ILE A 80 9.149 2.411 -6.760 1.00 15.35 C ATOM 0 H ILE A 80 7.360 5.056 -4.736 1.00 40.40 H new ATOM 0 HA ILE A 80 6.690 3.257 -6.804 1.00 54.01 H new ATOM 0 HB ILE A 80 7.277 2.953 -3.830 1.00 33.02 H new ATOM 0 HG12 ILE A 80 9.222 3.711 -5.064 1.00 21.52 H new ATOM 0 HG13 ILE A 80 9.485 2.021 -4.685 1.00 21.52 H new ATOM 0 HG21 ILE A 80 7.649 0.537 -4.133 1.00 42.02 H new ATOM 0 HG22 ILE A 80 5.952 1.014 -4.376 1.00 42.02 H new ATOM 0 HG23 ILE A 80 6.985 0.656 -5.780 1.00 42.02 H new ATOM 0 HD11 ILE A 80 10.212 2.530 -6.967 1.00 15.35 H new ATOM 0 HD12 ILE A 80 8.846 1.390 -6.991 1.00 15.35 H new ATOM 0 HD13 ILE A 80 8.579 3.106 -7.376 1.00 15.35 H new ATOM 1359 N LEU A 81 4.403 3.457 -4.401 1.00 0.34 N ATOM 1360 CA LEU A 81 2.978 3.233 -4.092 1.00 74.33 C ATOM 1361 C LEU A 81 2.072 4.098 -4.986 1.00 21.22 C ATOM 1362 O LEU A 81 1.018 3.624 -5.400 1.00 43.43 O ATOM 1363 CB LEU A 81 2.688 3.481 -2.579 1.00 61.15 C ATOM 1364 CG LEU A 81 3.103 2.323 -1.613 1.00 44.02 C ATOM 1365 CD1 LEU A 81 3.064 2.767 -0.138 1.00 21.24 C ATOM 1366 CD2 LEU A 81 2.208 1.085 -1.834 1.00 55.32 C ATOM 0 H LEU A 81 4.921 3.910 -3.648 1.00 0.34 H new ATOM 0 HA LEU A 81 2.749 2.189 -4.306 1.00 74.33 H new ATOM 0 HB2 LEU A 81 3.206 4.389 -2.272 1.00 61.15 H new ATOM 0 HB3 LEU A 81 1.621 3.667 -2.458 1.00 61.15 H new ATOM 0 HG LEU A 81 4.134 2.055 -1.846 1.00 44.02 H new ATOM 0 HD11 LEU A 81 3.359 1.934 0.501 1.00 21.24 H new ATOM 0 HD12 LEU A 81 3.752 3.599 0.010 1.00 21.24 H new ATOM 0 HD13 LEU A 81 2.053 3.082 0.120 1.00 21.24 H new ATOM 0 HD21 LEU A 81 2.512 0.290 -1.153 1.00 55.32 H new ATOM 0 HD22 LEU A 81 1.168 1.349 -1.642 1.00 55.32 H new ATOM 0 HD23 LEU A 81 2.311 0.740 -2.863 1.00 55.32 H new ATOM 1378 N ASN A 82 2.509 5.346 -5.306 1.00 50.53 N ATOM 1379 CA ASN A 82 1.732 6.265 -6.189 1.00 14.54 C ATOM 1380 C ASN A 82 1.546 5.622 -7.585 1.00 73.53 C ATOM 1381 O ASN A 82 0.480 5.757 -8.195 1.00 62.01 O ATOM 1382 CB ASN A 82 2.438 7.652 -6.307 1.00 72.12 C ATOM 1383 CG ASN A 82 1.542 8.844 -6.716 1.00 23.13 C ATOM 1384 OD1 ASN A 82 1.786 9.977 -6.288 1.00 33.42 O ATOM 1385 ND2 ASN A 82 0.524 8.639 -7.550 1.00 35.45 N ATOM 0 H ASN A 82 3.388 5.738 -4.970 1.00 50.53 H new ATOM 0 HA ASN A 82 0.750 6.429 -5.745 1.00 14.54 H new ATOM 0 HB2 ASN A 82 2.899 7.884 -5.347 1.00 72.12 H new ATOM 0 HB3 ASN A 82 3.245 7.565 -7.035 1.00 72.12 H new ATOM 0 HD21 ASN A 82 -0.062 9.421 -7.841 1.00 35.45 H new ATOM 0 HD22 ASN A 82 0.331 7.700 -7.898 1.00 35.45 H new ATOM 1392 N LYS A 83 2.591 4.896 -8.056 1.00 52.32 N ATOM 1393 CA LYS A 83 2.534 4.126 -9.319 1.00 53.12 C ATOM 1394 C LYS A 83 1.452 3.039 -9.231 1.00 72.34 C ATOM 1395 O LYS A 83 0.607 2.944 -10.109 1.00 45.40 O ATOM 1396 CB LYS A 83 3.909 3.470 -9.660 1.00 61.41 C ATOM 1397 CG LYS A 83 5.059 4.460 -9.948 1.00 74.54 C ATOM 1398 CD LYS A 83 4.775 5.379 -11.156 1.00 71.22 C ATOM 1399 CE LYS A 83 5.901 6.395 -11.404 1.00 12.52 C ATOM 1400 NZ LYS A 83 5.597 7.282 -12.560 1.00 34.41 N ATOM 0 H LYS A 83 3.488 4.829 -7.574 1.00 52.32 H new ATOM 0 HA LYS A 83 2.286 4.826 -10.117 1.00 53.12 H new ATOM 0 HB2 LYS A 83 4.203 2.829 -8.829 1.00 61.41 H new ATOM 0 HB3 LYS A 83 3.780 2.826 -10.530 1.00 61.41 H new ATOM 0 HG2 LYS A 83 5.233 5.074 -9.064 1.00 74.54 H new ATOM 0 HG3 LYS A 83 5.976 3.900 -10.132 1.00 74.54 H new ATOM 0 HD2 LYS A 83 4.639 4.768 -12.048 1.00 71.22 H new ATOM 0 HD3 LYS A 83 3.839 5.913 -10.990 1.00 71.22 H new ATOM 0 HE2 LYS A 83 6.048 7.000 -10.510 1.00 12.52 H new ATOM 0 HE3 LYS A 83 6.836 5.865 -11.588 1.00 12.52 H new ATOM 0 HZ1 LYS A 83 6.379 7.954 -12.697 1.00 34.41 H new ATOM 0 HZ2 LYS A 83 5.481 6.706 -13.418 1.00 34.41 H new ATOM 0 HZ3 LYS A 83 4.718 7.806 -12.374 1.00 34.41 H new ATOM 1414 N VAL A 84 1.461 2.296 -8.110 1.00 25.12 N ATOM 1415 CA VAL A 84 0.563 1.149 -7.872 1.00 31.13 C ATOM 1416 C VAL A 84 -0.916 1.608 -7.861 1.00 45.22 C ATOM 1417 O VAL A 84 -1.766 0.993 -8.507 1.00 52.53 O ATOM 1418 CB VAL A 84 0.946 0.438 -6.512 1.00 13.23 C ATOM 1419 CG1 VAL A 84 -0.063 -0.664 -6.118 1.00 33.24 C ATOM 1420 CG2 VAL A 84 2.387 -0.133 -6.578 1.00 65.14 C ATOM 0 H VAL A 84 2.099 2.476 -7.335 1.00 25.12 H new ATOM 0 HA VAL A 84 0.683 0.431 -8.684 1.00 31.13 H new ATOM 0 HB VAL A 84 0.905 1.199 -5.732 1.00 13.23 H new ATOM 0 HG11 VAL A 84 0.246 -1.121 -5.178 1.00 33.24 H new ATOM 0 HG12 VAL A 84 -1.054 -0.225 -6.000 1.00 33.24 H new ATOM 0 HG13 VAL A 84 -0.094 -1.425 -6.898 1.00 33.24 H new ATOM 0 HG21 VAL A 84 2.630 -0.618 -5.632 1.00 65.14 H new ATOM 0 HG22 VAL A 84 2.453 -0.861 -7.386 1.00 65.14 H new ATOM 0 HG23 VAL A 84 3.092 0.678 -6.762 1.00 65.14 H new ATOM 1430 N PHE A 85 -1.178 2.723 -7.148 1.00 1.54 N ATOM 1431 CA PHE A 85 -2.519 3.349 -7.067 1.00 24.21 C ATOM 1432 C PHE A 85 -2.983 3.823 -8.454 1.00 10.54 C ATOM 1433 O PHE A 85 -4.141 3.627 -8.826 1.00 60.45 O ATOM 1434 CB PHE A 85 -2.528 4.537 -6.059 1.00 11.55 C ATOM 1435 CG PHE A 85 -2.072 4.166 -4.642 1.00 50.24 C ATOM 1436 CD1 PHE A 85 -2.451 2.958 -4.052 1.00 73.21 C ATOM 1437 CD2 PHE A 85 -1.246 5.019 -3.910 1.00 21.04 C ATOM 1438 CE1 PHE A 85 -2.019 2.624 -2.783 1.00 42.12 C ATOM 1439 CE2 PHE A 85 -0.818 4.684 -2.642 1.00 75.22 C ATOM 1440 CZ PHE A 85 -1.198 3.484 -2.082 1.00 3.35 C ATOM 0 H PHE A 85 -0.466 3.217 -6.610 1.00 1.54 H new ATOM 0 HA PHE A 85 -3.216 2.593 -6.706 1.00 24.21 H new ATOM 0 HB2 PHE A 85 -1.882 5.327 -6.441 1.00 11.55 H new ATOM 0 HB3 PHE A 85 -3.537 4.947 -6.008 1.00 11.55 H new ATOM 0 HD1 PHE A 85 -3.090 2.277 -4.595 1.00 73.21 H new ATOM 0 HD2 PHE A 85 -0.936 5.958 -4.344 1.00 21.04 H new ATOM 0 HE1 PHE A 85 -2.324 1.688 -2.339 1.00 42.12 H new ATOM 0 HE2 PHE A 85 -0.185 5.362 -2.089 1.00 75.22 H new ATOM 0 HZ PHE A 85 -0.853 3.216 -1.094 1.00 3.35 H new ATOM 1450 N ALA A 86 -2.043 4.407 -9.221 1.00 42.20 N ATOM 1451 CA ALA A 86 -2.295 4.898 -10.592 1.00 20.44 C ATOM 1452 C ALA A 86 -2.517 3.731 -11.580 1.00 64.34 C ATOM 1453 O ALA A 86 -3.165 3.906 -12.615 1.00 63.35 O ATOM 1454 CB ALA A 86 -1.132 5.791 -11.055 1.00 73.31 C ATOM 0 H ALA A 86 -1.083 4.553 -8.907 1.00 42.20 H new ATOM 0 HA ALA A 86 -3.210 5.490 -10.577 1.00 20.44 H new ATOM 0 HB1 ALA A 86 -1.327 6.148 -12.066 1.00 73.31 H new ATOM 0 HB2 ALA A 86 -1.037 6.643 -10.382 1.00 73.31 H new ATOM 0 HB3 ALA A 86 -0.206 5.216 -11.046 1.00 73.31 H new ATOM 1460 N GLU A 87 -1.968 2.544 -11.244 1.00 20.10 N ATOM 1461 CA GLU A 87 -2.150 1.305 -12.032 1.00 44.51 C ATOM 1462 C GLU A 87 -3.450 0.579 -11.651 1.00 43.04 C ATOM 1463 O GLU A 87 -3.871 -0.350 -12.352 1.00 64.42 O ATOM 1464 CB GLU A 87 -0.934 0.360 -11.843 1.00 52.12 C ATOM 1465 CG GLU A 87 0.382 0.898 -12.433 1.00 31.54 C ATOM 1466 CD GLU A 87 1.567 -0.044 -12.202 1.00 14.32 C ATOM 1467 OE1 GLU A 87 2.250 0.061 -11.159 1.00 34.30 O ATOM 1468 OE2 GLU A 87 1.820 -0.907 -13.069 1.00 54.12 O ATOM 0 H GLU A 87 -1.385 2.417 -10.417 1.00 20.10 H new ATOM 0 HA GLU A 87 -2.221 1.589 -13.082 1.00 44.51 H new ATOM 0 HB2 GLU A 87 -0.793 0.176 -10.778 1.00 52.12 H new ATOM 0 HB3 GLU A 87 -1.160 -0.601 -12.305 1.00 52.12 H new ATOM 0 HG2 GLU A 87 0.255 1.059 -13.504 1.00 31.54 H new ATOM 0 HG3 GLU A 87 0.604 1.868 -11.989 1.00 31.54 H new ATOM 1475 N LEU A 88 -4.087 1.006 -10.546 1.00 22.14 N ATOM 1476 CA LEU A 88 -5.375 0.443 -10.097 1.00 75.33 C ATOM 1477 C LEU A 88 -6.521 1.374 -10.528 1.00 65.04 C ATOM 1478 O LEU A 88 -7.588 0.903 -10.906 1.00 43.11 O ATOM 1479 CB LEU A 88 -5.376 0.234 -8.548 1.00 34.13 C ATOM 1480 CG LEU A 88 -4.346 -0.814 -8.003 1.00 1.10 C ATOM 1481 CD1 LEU A 88 -4.438 -0.970 -6.469 1.00 33.50 C ATOM 1482 CD2 LEU A 88 -4.499 -2.174 -8.715 1.00 4.33 C ATOM 0 H LEU A 88 -3.728 1.745 -9.942 1.00 22.14 H new ATOM 0 HA LEU A 88 -5.520 -0.532 -10.562 1.00 75.33 H new ATOM 0 HB2 LEU A 88 -5.178 1.193 -8.070 1.00 34.13 H new ATOM 0 HB3 LEU A 88 -6.376 -0.074 -8.242 1.00 34.13 H new ATOM 0 HG LEU A 88 -3.350 -0.431 -8.227 1.00 1.10 H new ATOM 0 HD11 LEU A 88 -3.707 -1.706 -6.134 1.00 33.50 H new ATOM 0 HD12 LEU A 88 -4.233 -0.011 -5.993 1.00 33.50 H new ATOM 0 HD13 LEU A 88 -5.439 -1.303 -6.197 1.00 33.50 H new ATOM 0 HD21 LEU A 88 -3.770 -2.879 -8.314 1.00 4.33 H new ATOM 0 HD22 LEU A 88 -5.505 -2.560 -8.551 1.00 4.33 H new ATOM 0 HD23 LEU A 88 -4.330 -2.046 -9.784 1.00 4.33 H new ATOM 1494 N GLY A 89 -6.246 2.694 -10.564 1.00 23.24 N ATOM 1495 CA GLY A 89 -7.237 3.714 -10.934 1.00 13.21 C ATOM 1496 C GLY A 89 -7.289 4.877 -9.949 1.00 43.15 C ATOM 1497 O GLY A 89 -7.791 5.955 -10.294 1.00 45.33 O ATOM 0 H GLY A 89 -5.329 3.078 -10.337 1.00 23.24 H new ATOM 0 HA2 GLY A 89 -7.003 4.096 -11.928 1.00 13.21 H new ATOM 0 HA3 GLY A 89 -8.222 3.251 -10.994 1.00 13.21 H new ATOM 1501 N TYR A 90 -6.772 4.659 -8.718 1.00 20.14 N ATOM 1502 CA TYR A 90 -6.743 5.685 -7.652 1.00 5.43 C ATOM 1503 C TYR A 90 -5.771 6.822 -8.008 1.00 63.40 C ATOM 1504 O TYR A 90 -4.728 6.590 -8.633 1.00 64.35 O ATOM 1505 CB TYR A 90 -6.338 5.054 -6.290 1.00 52.24 C ATOM 1506 CG TYR A 90 -7.242 3.900 -5.843 1.00 14.44 C ATOM 1507 CD1 TYR A 90 -8.631 4.032 -5.884 1.00 44.35 C ATOM 1508 CD2 TYR A 90 -6.715 2.678 -5.399 1.00 70.10 C ATOM 1509 CE1 TYR A 90 -9.456 3.004 -5.502 1.00 34.24 C ATOM 1510 CE2 TYR A 90 -7.546 1.641 -5.020 1.00 3.32 C ATOM 1511 CZ TYR A 90 -8.917 1.816 -5.075 1.00 44.04 C ATOM 1512 OH TYR A 90 -9.759 0.790 -4.735 1.00 30.22 O ATOM 0 H TYR A 90 -6.364 3.768 -8.437 1.00 20.14 H new ATOM 0 HA TYR A 90 -7.748 6.099 -7.565 1.00 5.43 H new ATOM 0 HB2 TYR A 90 -5.312 4.692 -6.360 1.00 52.24 H new ATOM 0 HB3 TYR A 90 -6.351 5.829 -5.524 1.00 52.24 H new ATOM 0 HD1 TYR A 90 -9.065 4.961 -6.223 1.00 44.35 H new ATOM 0 HD2 TYR A 90 -5.644 2.546 -5.353 1.00 70.10 H new ATOM 0 HE1 TYR A 90 -10.528 3.130 -5.537 1.00 34.24 H new ATOM 0 HE2 TYR A 90 -7.129 0.703 -4.684 1.00 3.32 H new ATOM 0 HH TYR A 90 -9.320 -0.067 -4.916 1.00 30.22 H new ATOM 1522 N ASN A 91 -6.124 8.044 -7.591 1.00 72.12 N ATOM 1523 CA ASN A 91 -5.343 9.257 -7.885 1.00 72.15 C ATOM 1524 C ASN A 91 -4.355 9.538 -6.746 1.00 14.00 C ATOM 1525 O ASN A 91 -4.537 9.068 -5.615 1.00 62.33 O ATOM 1526 CB ASN A 91 -6.282 10.476 -8.072 1.00 12.41 C ATOM 1527 CG ASN A 91 -7.342 10.259 -9.153 1.00 20.54 C ATOM 1528 OD1 ASN A 91 -8.431 9.757 -8.873 1.00 63.50 O ATOM 1529 ND2 ASN A 91 -7.033 10.612 -10.394 1.00 32.32 N ATOM 0 H ASN A 91 -6.962 8.222 -7.038 1.00 72.12 H new ATOM 0 HA ASN A 91 -4.789 9.093 -8.809 1.00 72.15 H new ATOM 0 HB2 ASN A 91 -6.777 10.694 -7.126 1.00 12.41 H new ATOM 0 HB3 ASN A 91 -5.685 11.351 -8.328 1.00 12.41 H new ATOM 0 HD21 ASN A 91 -7.706 10.470 -11.147 1.00 32.32 H new ATOM 0 HD22 ASN A 91 -6.123 11.026 -10.595 1.00 32.32 H new ATOM 1536 N ASP A 92 -3.319 10.328 -7.065 1.00 44.43 N ATOM 1537 CA ASP A 92 -2.345 10.846 -6.082 1.00 30.20 C ATOM 1538 C ASP A 92 -3.027 11.804 -5.080 1.00 61.03 C ATOM 1539 O ASP A 92 -2.567 11.956 -3.949 1.00 72.24 O ATOM 1540 CB ASP A 92 -1.169 11.556 -6.807 1.00 0.02 C ATOM 1541 CG ASP A 92 -1.606 12.755 -7.670 1.00 45.03 C ATOM 1542 OD1 ASP A 92 -2.237 12.533 -8.725 1.00 13.41 O ATOM 1543 OD2 ASP A 92 -1.332 13.919 -7.303 1.00 21.11 O ATOM 0 H ASP A 92 -3.129 10.630 -8.020 1.00 44.43 H new ATOM 0 HA ASP A 92 -1.946 10.002 -5.520 1.00 30.20 H new ATOM 0 HB2 ASP A 92 -0.449 11.898 -6.063 1.00 0.02 H new ATOM 0 HB3 ASP A 92 -0.654 10.833 -7.440 1.00 0.02 H new ATOM 1548 N SER A 93 -4.144 12.420 -5.513 1.00 2.42 N ATOM 1549 CA SER A 93 -4.974 13.312 -4.673 1.00 25.44 C ATOM 1550 C SER A 93 -5.682 12.556 -3.517 1.00 44.14 C ATOM 1551 O SER A 93 -6.246 13.182 -2.619 1.00 12.30 O ATOM 1552 CB SER A 93 -6.011 14.037 -5.565 1.00 22.34 C ATOM 1553 OG SER A 93 -6.866 13.114 -6.220 1.00 54.43 O ATOM 0 H SER A 93 -4.500 12.313 -6.463 1.00 2.42 H new ATOM 0 HA SER A 93 -4.312 14.040 -4.205 1.00 25.44 H new ATOM 0 HB2 SER A 93 -6.606 14.717 -4.955 1.00 22.34 H new ATOM 0 HB3 SER A 93 -5.493 14.645 -6.307 1.00 22.34 H new ATOM 0 HG SER A 93 -7.511 13.602 -6.774 1.00 54.43 H new ATOM 1559 N ASN A 94 -5.651 11.207 -3.554 1.00 60.45 N ATOM 1560 CA ASN A 94 -6.202 10.341 -2.482 1.00 23.51 C ATOM 1561 C ASN A 94 -5.119 10.015 -1.433 1.00 64.21 C ATOM 1562 O ASN A 94 -5.427 9.663 -0.295 1.00 43.30 O ATOM 1563 CB ASN A 94 -6.751 9.019 -3.095 1.00 0.30 C ATOM 1564 CG ASN A 94 -7.891 9.219 -4.108 1.00 61.12 C ATOM 1565 OD1 ASN A 94 -7.981 8.496 -5.107 1.00 1.14 O ATOM 1566 ND2 ASN A 94 -8.794 10.161 -3.845 1.00 13.02 N ATOM 0 H ASN A 94 -5.243 10.684 -4.329 1.00 60.45 H new ATOM 0 HA ASN A 94 -7.014 10.878 -1.991 1.00 23.51 H new ATOM 0 HB2 ASN A 94 -5.933 8.492 -3.585 1.00 0.30 H new ATOM 0 HB3 ASN A 94 -7.105 8.377 -2.288 1.00 0.30 H new ATOM 0 HD21 ASN A 94 -9.584 10.300 -4.475 1.00 13.02 H new ATOM 0 HD22 ASN A 94 -8.696 10.744 -3.014 1.00 13.02 H new ATOM 1573 N VAL A 95 -3.854 10.182 -1.841 1.00 72.30 N ATOM 1574 CA VAL A 95 -2.667 9.679 -1.124 1.00 14.41 C ATOM 1575 C VAL A 95 -2.138 10.740 -0.125 1.00 74.51 C ATOM 1576 O VAL A 95 -1.728 11.825 -0.542 1.00 71.25 O ATOM 1577 CB VAL A 95 -1.553 9.308 -2.184 1.00 74.14 C ATOM 1578 CG1 VAL A 95 -0.272 8.748 -1.533 1.00 61.52 C ATOM 1579 CG2 VAL A 95 -2.118 8.324 -3.239 1.00 43.20 C ATOM 0 H VAL A 95 -3.618 10.682 -2.698 1.00 72.30 H new ATOM 0 HA VAL A 95 -2.937 8.792 -0.550 1.00 14.41 H new ATOM 0 HB VAL A 95 -1.264 10.233 -2.682 1.00 74.14 H new ATOM 0 HG11 VAL A 95 0.457 8.511 -2.308 1.00 61.52 H new ATOM 0 HG12 VAL A 95 0.147 9.492 -0.856 1.00 61.52 H new ATOM 0 HG13 VAL A 95 -0.513 7.844 -0.974 1.00 61.52 H new ATOM 0 HG21 VAL A 95 -1.339 8.078 -3.961 1.00 43.20 H new ATOM 0 HG22 VAL A 95 -2.454 7.413 -2.744 1.00 43.20 H new ATOM 0 HG23 VAL A 95 -2.959 8.787 -3.755 1.00 43.20 H new ATOM 1589 N THR A 96 -2.197 10.431 1.187 1.00 13.13 N ATOM 1590 CA THR A 96 -1.698 11.320 2.262 1.00 62.44 C ATOM 1591 C THR A 96 -0.602 10.603 3.086 1.00 42.33 C ATOM 1592 O THR A 96 -0.893 9.662 3.830 1.00 13.33 O ATOM 1593 CB THR A 96 -2.881 11.760 3.190 1.00 34.30 C ATOM 1594 OG1 THR A 96 -3.902 12.394 2.395 1.00 12.11 O ATOM 1595 CG2 THR A 96 -2.436 12.721 4.312 1.00 45.22 C ATOM 0 H THR A 96 -2.592 9.557 1.534 1.00 13.13 H new ATOM 0 HA THR A 96 -1.262 12.210 1.808 1.00 62.44 H new ATOM 0 HB THR A 96 -3.266 10.860 3.670 1.00 34.30 H new ATOM 0 HG1 THR A 96 -4.644 12.668 2.974 1.00 12.11 H new ATOM 0 HG21 THR A 96 -3.298 12.991 4.922 1.00 45.22 H new ATOM 0 HG22 THR A 96 -1.689 12.231 4.936 1.00 45.22 H new ATOM 0 HG23 THR A 96 -2.007 13.621 3.871 1.00 45.22 H new ATOM 1603 N TRP A 97 0.657 11.046 2.918 1.00 74.15 N ATOM 1604 CA TRP A 97 1.820 10.483 3.637 1.00 54.43 C ATOM 1605 C TRP A 97 2.043 11.180 4.991 1.00 51.10 C ATOM 1606 O TRP A 97 2.239 12.400 5.050 1.00 75.43 O ATOM 1607 CB TRP A 97 3.112 10.583 2.770 1.00 52.31 C ATOM 1608 CG TRP A 97 3.225 9.481 1.749 1.00 43.13 C ATOM 1609 CD1 TRP A 97 2.838 9.503 0.438 1.00 2.24 C ATOM 1610 CD2 TRP A 97 3.748 8.169 1.994 1.00 74.25 C ATOM 1611 NE1 TRP A 97 3.084 8.281 -0.140 1.00 44.44 N ATOM 1612 CE2 TRP A 97 3.647 7.451 0.798 1.00 51.11 C ATOM 1613 CE3 TRP A 97 4.295 7.536 3.121 1.00 33.23 C ATOM 1614 CZ2 TRP A 97 4.071 6.135 0.691 1.00 52.50 C ATOM 1615 CZ3 TRP A 97 4.716 6.227 3.012 1.00 4.11 C ATOM 1616 CH2 TRP A 97 4.600 5.539 1.803 1.00 51.05 C ATOM 0 H TRP A 97 0.899 11.804 2.280 1.00 74.15 H new ATOM 0 HA TRP A 97 1.601 9.432 3.827 1.00 54.43 H new ATOM 0 HB2 TRP A 97 3.126 11.546 2.260 1.00 52.31 H new ATOM 0 HB3 TRP A 97 3.984 10.556 3.423 1.00 52.31 H new ATOM 0 HD1 TRP A 97 2.404 10.353 -0.067 1.00 2.24 H new ATOM 0 HE1 TRP A 97 2.881 8.031 -1.108 1.00 44.44 H new ATOM 0 HE3 TRP A 97 4.385 8.065 4.058 1.00 33.23 H new ATOM 0 HZ2 TRP A 97 3.986 5.597 -0.242 1.00 52.50 H new ATOM 0 HZ3 TRP A 97 5.140 5.729 3.871 1.00 4.11 H new ATOM 0 HH2 TRP A 97 4.935 4.514 1.744 1.00 51.05 H new ATOM 1627 N ASP A 98 2.016 10.376 6.061 1.00 64.04 N ATOM 1628 CA ASP A 98 2.409 10.779 7.418 1.00 44.15 C ATOM 1629 C ASP A 98 3.613 9.910 7.841 1.00 40.54 C ATOM 1630 O ASP A 98 3.455 8.859 8.486 1.00 2.43 O ATOM 1631 CB ASP A 98 1.220 10.619 8.403 1.00 73.54 C ATOM 1632 CG ASP A 98 0.007 11.491 8.024 1.00 63.21 C ATOM 1633 OD1 ASP A 98 -0.015 12.679 8.405 1.00 21.22 O ATOM 1634 OD2 ASP A 98 -0.923 10.994 7.341 1.00 33.22 O ATOM 0 H ASP A 98 1.713 9.404 6.006 1.00 64.04 H new ATOM 0 HA ASP A 98 2.693 11.831 7.435 1.00 44.15 H new ATOM 0 HB2 ASP A 98 0.915 9.573 8.430 1.00 73.54 H new ATOM 0 HB3 ASP A 98 1.550 10.881 9.408 1.00 73.54 H new ATOM 1639 N GLY A 99 4.805 10.331 7.381 1.00 14.44 N ATOM 1640 CA GLY A 99 6.058 9.635 7.649 1.00 45.10 C ATOM 1641 C GLY A 99 6.219 8.376 6.805 1.00 11.04 C ATOM 1642 O GLY A 99 6.292 8.456 5.573 1.00 71.51 O ATOM 0 H GLY A 99 4.917 11.169 6.811 1.00 14.44 H new ATOM 0 HA2 GLY A 99 6.893 10.308 7.454 1.00 45.10 H new ATOM 0 HA3 GLY A 99 6.103 9.369 8.705 1.00 45.10 H new ATOM 1646 N ASP A 100 6.243 7.211 7.477 1.00 30.12 N ATOM 1647 CA ASP A 100 6.416 5.889 6.832 1.00 21.14 C ATOM 1648 C ASP A 100 5.057 5.199 6.591 1.00 20.42 C ATOM 1649 O ASP A 100 5.007 4.078 6.086 1.00 52.41 O ATOM 1650 CB ASP A 100 7.329 4.987 7.707 1.00 14.24 C ATOM 1651 CG ASP A 100 8.739 5.566 7.921 1.00 54.55 C ATOM 1652 OD1 ASP A 100 8.940 6.307 8.907 1.00 11.14 O ATOM 1653 OD2 ASP A 100 9.653 5.273 7.123 1.00 64.32 O ATOM 0 H ASP A 100 6.142 7.156 8.491 1.00 30.12 H new ATOM 0 HA ASP A 100 6.888 6.045 5.862 1.00 21.14 H new ATOM 0 HB2 ASP A 100 6.855 4.836 8.677 1.00 14.24 H new ATOM 0 HB3 ASP A 100 7.415 4.007 7.238 1.00 14.24 H new ATOM 1658 N THR A 101 3.954 5.879 6.946 1.00 22.02 N ATOM 1659 CA THR A 101 2.586 5.362 6.763 1.00 60.13 C ATOM 1660 C THR A 101 1.823 6.299 5.822 1.00 11.11 C ATOM 1661 O THR A 101 1.981 7.515 5.907 1.00 45.25 O ATOM 1662 CB THR A 101 1.840 5.262 8.135 1.00 61.14 C ATOM 1663 OG1 THR A 101 2.629 4.475 9.041 1.00 4.53 O ATOM 1664 CG2 THR A 101 0.432 4.634 8.013 1.00 52.15 C ATOM 0 H THR A 101 3.986 6.806 7.370 1.00 22.02 H new ATOM 0 HA THR A 101 2.638 4.362 6.333 1.00 60.13 H new ATOM 0 HB THR A 101 1.708 6.278 8.506 1.00 61.14 H new ATOM 0 HG1 THR A 101 2.169 4.409 9.904 1.00 4.53 H new ATOM 0 HG21 THR A 101 -0.034 4.592 8.997 1.00 52.15 H new ATOM 0 HG22 THR A 101 -0.181 5.241 7.347 1.00 52.15 H new ATOM 0 HG23 THR A 101 0.517 3.625 7.609 1.00 52.15 H new ATOM 1672 N VAL A 102 1.013 5.730 4.925 1.00 71.42 N ATOM 1673 CA VAL A 102 0.139 6.497 4.031 1.00 44.14 C ATOM 1674 C VAL A 102 -1.332 6.090 4.251 1.00 42.43 C ATOM 1675 O VAL A 102 -1.663 4.905 4.258 1.00 41.52 O ATOM 1676 CB VAL A 102 0.560 6.321 2.522 1.00 71.24 C ATOM 1677 CG1 VAL A 102 0.619 4.840 2.081 1.00 20.24 C ATOM 1678 CG2 VAL A 102 -0.348 7.146 1.591 1.00 33.32 C ATOM 0 H VAL A 102 0.944 4.720 4.797 1.00 71.42 H new ATOM 0 HA VAL A 102 0.246 7.555 4.272 1.00 44.14 H new ATOM 0 HB VAL A 102 1.576 6.706 2.438 1.00 71.24 H new ATOM 0 HG11 VAL A 102 0.914 4.784 1.033 1.00 20.24 H new ATOM 0 HG12 VAL A 102 1.347 4.307 2.692 1.00 20.24 H new ATOM 0 HG13 VAL A 102 -0.363 4.384 2.206 1.00 20.24 H new ATOM 0 HG21 VAL A 102 -0.033 7.005 0.557 1.00 33.32 H new ATOM 0 HG22 VAL A 102 -1.381 6.816 1.704 1.00 33.32 H new ATOM 0 HG23 VAL A 102 -0.273 8.202 1.852 1.00 33.32 H new ATOM 1688 N THR A 103 -2.196 7.090 4.477 1.00 72.01 N ATOM 1689 CA THR A 103 -3.645 6.918 4.543 1.00 73.34 C ATOM 1690 C THR A 103 -4.226 7.396 3.201 1.00 62.15 C ATOM 1691 O THR A 103 -4.250 8.600 2.911 1.00 23.12 O ATOM 1692 CB THR A 103 -4.253 7.728 5.740 1.00 22.25 C ATOM 1693 OG1 THR A 103 -3.646 7.289 6.975 1.00 31.03 O ATOM 1694 CG2 THR A 103 -5.788 7.575 5.838 1.00 4.45 C ATOM 0 H THR A 103 -1.898 8.055 4.621 1.00 72.01 H new ATOM 0 HA THR A 103 -3.896 5.871 4.714 1.00 73.34 H new ATOM 0 HB THR A 103 -4.041 8.782 5.562 1.00 22.25 H new ATOM 0 HG1 THR A 103 -4.024 7.796 7.724 1.00 31.03 H new ATOM 0 HG21 THR A 103 -6.158 8.155 6.683 1.00 4.45 H new ATOM 0 HG22 THR A 103 -6.249 7.937 4.919 1.00 4.45 H new ATOM 0 HG23 THR A 103 -6.041 6.524 5.981 1.00 4.45 H new ATOM 1702 N VAL A 104 -4.615 6.431 2.363 1.00 30.55 N ATOM 1703 CA VAL A 104 -5.217 6.681 1.051 1.00 5.15 C ATOM 1704 C VAL A 104 -6.732 6.665 1.227 1.00 10.11 C ATOM 1705 O VAL A 104 -7.312 5.615 1.519 1.00 63.42 O ATOM 1706 CB VAL A 104 -4.774 5.579 0.013 1.00 40.02 C ATOM 1707 CG1 VAL A 104 -5.374 5.822 -1.395 1.00 13.41 C ATOM 1708 CG2 VAL A 104 -3.240 5.487 -0.048 1.00 65.14 C ATOM 0 H VAL A 104 -4.519 5.439 2.581 1.00 30.55 H new ATOM 0 HA VAL A 104 -4.887 7.645 0.664 1.00 5.15 H new ATOM 0 HB VAL A 104 -5.169 4.625 0.361 1.00 40.02 H new ATOM 0 HG11 VAL A 104 -5.040 5.037 -2.073 1.00 13.41 H new ATOM 0 HG12 VAL A 104 -6.462 5.810 -1.334 1.00 13.41 H new ATOM 0 HG13 VAL A 104 -5.043 6.791 -1.769 1.00 13.41 H new ATOM 0 HG21 VAL A 104 -2.950 4.722 -0.769 1.00 65.14 H new ATOM 0 HG22 VAL A 104 -2.830 6.449 -0.355 1.00 65.14 H new ATOM 0 HG23 VAL A 104 -2.852 5.224 0.936 1.00 65.14 H new ATOM 1718 N GLU A 105 -7.371 7.825 1.066 1.00 23.32 N ATOM 1719 CA GLU A 105 -8.813 7.976 1.256 1.00 70.01 C ATOM 1720 C GLU A 105 -9.445 8.291 -0.099 1.00 33.45 C ATOM 1721 O GLU A 105 -9.105 9.290 -0.753 1.00 52.41 O ATOM 1722 CB GLU A 105 -9.123 9.073 2.311 1.00 74.22 C ATOM 1723 CG GLU A 105 -8.477 10.448 2.054 1.00 25.32 C ATOM 1724 CD GLU A 105 -8.919 11.504 3.070 1.00 5.42 C ATOM 1725 OE1 GLU A 105 -8.395 11.504 4.199 1.00 60.44 O ATOM 1726 OE2 GLU A 105 -9.819 12.317 2.757 1.00 2.24 O ATOM 0 H GLU A 105 -6.900 8.689 0.799 1.00 23.32 H new ATOM 0 HA GLU A 105 -9.240 7.050 1.642 1.00 70.01 H new ATOM 0 HB2 GLU A 105 -10.204 9.204 2.365 1.00 74.22 H new ATOM 0 HB3 GLU A 105 -8.796 8.715 3.287 1.00 74.22 H new ATOM 0 HG2 GLU A 105 -7.392 10.348 2.088 1.00 25.32 H new ATOM 0 HG3 GLU A 105 -8.735 10.785 1.050 1.00 25.32 H new ATOM 1733 N GLY A 106 -10.330 7.412 -0.538 1.00 14.10 N ATOM 1734 CA GLY A 106 -10.982 7.553 -1.821 1.00 13.41 C ATOM 1735 C GLY A 106 -12.137 6.601 -1.942 1.00 34.32 C ATOM 1736 O GLY A 106 -12.508 5.939 -0.975 1.00 61.24 O ATOM 0 H GLY A 106 -10.613 6.584 -0.014 1.00 14.10 H new ATOM 0 HA2 GLY A 106 -11.335 8.577 -1.944 1.00 13.41 H new ATOM 0 HA3 GLY A 106 -10.265 7.365 -2.620 1.00 13.41 H new ATOM 1740 N GLN A 107 -12.722 6.555 -3.127 1.00 2.43 N ATOM 1741 CA GLN A 107 -13.796 5.617 -3.465 1.00 74.53 C ATOM 1742 C GLN A 107 -13.210 4.492 -4.312 1.00 41.00 C ATOM 1743 O GLN A 107 -12.108 4.641 -4.863 1.00 13.22 O ATOM 1744 CB GLN A 107 -14.914 6.374 -4.225 1.00 10.42 C ATOM 1745 CG GLN A 107 -15.411 7.616 -3.467 1.00 42.21 C ATOM 1746 CD GLN A 107 -16.586 8.322 -4.127 1.00 54.01 C ATOM 1747 OE1 GLN A 107 -16.408 9.219 -4.948 1.00 24.41 O ATOM 1748 NE2 GLN A 107 -17.797 7.932 -3.770 1.00 54.43 N ATOM 0 H GLN A 107 -12.466 7.174 -3.896 1.00 2.43 H new ATOM 0 HA GLN A 107 -14.233 5.185 -2.565 1.00 74.53 H new ATOM 0 HB2 GLN A 107 -14.542 6.676 -5.204 1.00 10.42 H new ATOM 0 HB3 GLN A 107 -15.752 5.699 -4.397 1.00 10.42 H new ATOM 0 HG2 GLN A 107 -15.699 7.321 -2.458 1.00 42.21 H new ATOM 0 HG3 GLN A 107 -14.586 8.322 -3.369 1.00 42.21 H new ATOM 0 HE21 GLN A 107 -17.911 7.184 -3.086 1.00 54.43 H new ATOM 0 HE22 GLN A 107 -18.618 8.379 -4.179 1.00 54.43 H new ATOM 1757 N LEU A 108 -13.934 3.369 -4.392 1.00 52.40 N ATOM 1758 CA LEU A 108 -13.548 2.240 -5.241 1.00 21.41 C ATOM 1759 C LEU A 108 -13.453 2.694 -6.713 1.00 14.02 C ATOM 1760 O LEU A 108 -14.408 3.271 -7.253 1.00 30.43 O ATOM 1761 CB LEU A 108 -14.565 1.079 -5.075 1.00 63.50 C ATOM 1762 CG LEU A 108 -14.567 0.369 -3.685 1.00 15.22 C ATOM 1763 CD1 LEU A 108 -15.637 -0.735 -3.622 1.00 24.52 C ATOM 1764 CD2 LEU A 108 -13.171 -0.195 -3.348 1.00 4.24 C ATOM 0 H LEU A 108 -14.799 3.220 -3.872 1.00 52.40 H new ATOM 0 HA LEU A 108 -12.567 1.877 -4.935 1.00 21.41 H new ATOM 0 HB2 LEU A 108 -15.565 1.468 -5.264 1.00 63.50 H new ATOM 0 HB3 LEU A 108 -14.363 0.332 -5.843 1.00 63.50 H new ATOM 0 HG LEU A 108 -14.818 1.117 -2.933 1.00 15.22 H new ATOM 0 HD11 LEU A 108 -15.612 -1.210 -2.641 1.00 24.52 H new ATOM 0 HD12 LEU A 108 -16.621 -0.298 -3.789 1.00 24.52 H new ATOM 0 HD13 LEU A 108 -15.436 -1.481 -4.391 1.00 24.52 H new ATOM 0 HD21 LEU A 108 -13.202 -0.684 -2.374 1.00 4.24 H new ATOM 0 HD22 LEU A 108 -12.878 -0.919 -4.109 1.00 4.24 H new ATOM 0 HD23 LEU A 108 -12.446 0.619 -3.323 1.00 4.24 H new ATOM 1776 N GLU A 109 -12.276 2.452 -7.319 1.00 1.24 N ATOM 1777 CA GLU A 109 -11.971 2.806 -8.721 1.00 44.42 C ATOM 1778 C GLU A 109 -12.963 2.118 -9.685 1.00 31.42 C ATOM 1779 O GLU A 109 -13.257 2.627 -10.772 1.00 70.35 O ATOM 1780 CB GLU A 109 -10.499 2.417 -9.075 1.00 22.44 C ATOM 1781 CG GLU A 109 -10.222 0.901 -9.260 1.00 65.52 C ATOM 1782 CD GLU A 109 -10.192 0.064 -7.968 1.00 40.02 C ATOM 1783 OE1 GLU A 109 -11.266 -0.172 -7.357 1.00 51.24 O ATOM 1784 OE2 GLU A 109 -9.097 -0.374 -7.553 1.00 24.33 O ATOM 0 H GLU A 109 -11.497 1.998 -6.842 1.00 1.24 H new ATOM 0 HA GLU A 109 -12.079 3.885 -8.834 1.00 44.42 H new ATOM 0 HB2 GLU A 109 -10.219 2.932 -9.994 1.00 22.44 H new ATOM 0 HB3 GLU A 109 -9.846 2.792 -8.287 1.00 22.44 H new ATOM 0 HG2 GLU A 109 -10.985 0.489 -9.920 1.00 65.52 H new ATOM 0 HG3 GLU A 109 -9.265 0.785 -9.768 1.00 65.52 H new ATOM 1791 N GLY A 110 -13.453 0.948 -9.252 1.00 31.24 N ATOM 1792 CA GLY A 110 -14.483 0.202 -9.944 1.00 0.22 C ATOM 1793 C GLY A 110 -14.619 -1.191 -9.354 1.00 2.30 C ATOM 1794 O GLY A 110 -13.616 -1.793 -8.934 1.00 65.43 O ATOM 0 H GLY A 110 -13.132 0.496 -8.396 1.00 31.24 H new ATOM 0 HA2 GLY A 110 -15.434 0.729 -9.870 1.00 0.22 H new ATOM 0 HA3 GLY A 110 -14.239 0.132 -11.004 1.00 0.22 H new ATOM 1798 N VAL A 111 -15.867 -1.684 -9.277 1.00 13.10 N ATOM 1799 CA VAL A 111 -16.159 -3.101 -8.978 1.00 72.10 C ATOM 1800 C VAL A 111 -15.549 -3.966 -10.103 1.00 0.22 C ATOM 1801 O VAL A 111 -14.899 -4.985 -9.857 1.00 12.32 O ATOM 1802 CB VAL A 111 -17.711 -3.350 -8.880 1.00 42.10 C ATOM 1803 CG1 VAL A 111 -18.044 -4.833 -8.589 1.00 14.02 C ATOM 1804 CG2 VAL A 111 -18.359 -2.411 -7.834 1.00 13.43 C ATOM 0 H VAL A 111 -16.701 -1.115 -9.420 1.00 13.10 H new ATOM 0 HA VAL A 111 -15.723 -3.368 -8.015 1.00 72.10 H new ATOM 0 HB VAL A 111 -18.139 -3.115 -9.855 1.00 42.10 H new ATOM 0 HG11 VAL A 111 -19.125 -4.958 -8.530 1.00 14.02 H new ATOM 0 HG12 VAL A 111 -17.650 -5.458 -9.390 1.00 14.02 H new ATOM 0 HG13 VAL A 111 -17.592 -5.128 -7.642 1.00 14.02 H new ATOM 0 HG21 VAL A 111 -19.431 -2.604 -7.786 1.00 13.43 H new ATOM 0 HG22 VAL A 111 -17.914 -2.593 -6.856 1.00 13.43 H new ATOM 0 HG23 VAL A 111 -18.189 -1.373 -8.122 1.00 13.43 H new ATOM 1814 N ASP A 112 -15.764 -3.496 -11.340 1.00 12.14 N ATOM 1815 CA ASP A 112 -15.129 -4.026 -12.554 1.00 31.14 C ATOM 1816 C ASP A 112 -14.615 -2.837 -13.379 1.00 22.11 C ATOM 1817 O ASP A 112 -15.237 -1.771 -13.388 1.00 50.31 O ATOM 1818 CB ASP A 112 -16.132 -4.887 -13.367 1.00 24.13 C ATOM 1819 CG ASP A 112 -15.507 -5.641 -14.561 1.00 23.31 C ATOM 1820 OD1 ASP A 112 -14.275 -5.901 -14.561 1.00 63.25 O ATOM 1821 OD2 ASP A 112 -16.258 -6.020 -15.484 1.00 34.35 O ATOM 0 H ASP A 112 -16.398 -2.720 -11.528 1.00 12.14 H new ATOM 0 HA ASP A 112 -14.295 -4.677 -12.291 1.00 31.14 H new ATOM 0 HB2 ASP A 112 -16.595 -5.612 -12.698 1.00 24.13 H new ATOM 0 HB3 ASP A 112 -16.928 -4.242 -13.738 1.00 24.13 H new ATOM 1826 N LEU A 113 -13.487 -3.026 -14.077 1.00 34.22 N ATOM 1827 CA LEU A 113 -12.762 -1.926 -14.758 1.00 70.40 C ATOM 1828 C LEU A 113 -12.921 -2.009 -16.284 1.00 33.51 C ATOM 1829 O LEU A 113 -13.561 -2.938 -16.801 1.00 51.01 O ATOM 1830 CB LEU A 113 -11.261 -1.984 -14.350 1.00 13.41 C ATOM 1831 CG LEU A 113 -10.979 -1.960 -12.813 1.00 40.35 C ATOM 1832 CD1 LEU A 113 -9.467 -1.992 -12.513 1.00 74.52 C ATOM 1833 CD2 LEU A 113 -11.661 -0.753 -12.142 1.00 54.03 C ATOM 0 H LEU A 113 -13.047 -3.939 -14.190 1.00 34.22 H new ATOM 0 HA LEU A 113 -13.188 -0.972 -14.447 1.00 70.40 H new ATOM 0 HB2 LEU A 113 -10.824 -2.891 -14.768 1.00 13.41 H new ATOM 0 HB3 LEU A 113 -10.745 -1.141 -14.809 1.00 13.41 H new ATOM 0 HG LEU A 113 -11.412 -2.865 -12.386 1.00 40.35 H new ATOM 0 HD11 LEU A 113 -9.310 -1.974 -11.435 1.00 74.52 H new ATOM 0 HD12 LEU A 113 -9.033 -2.902 -12.928 1.00 74.52 H new ATOM 0 HD13 LEU A 113 -8.988 -1.123 -12.964 1.00 74.52 H new ATOM 0 HD21 LEU A 113 -11.447 -0.762 -11.073 1.00 54.03 H new ATOM 0 HD22 LEU A 113 -11.281 0.170 -12.580 1.00 54.03 H new ATOM 0 HD23 LEU A 113 -12.738 -0.811 -12.297 1.00 54.03 H new ATOM 1845 N GLU A 114 -12.352 -1.004 -16.993 1.00 73.30 N ATOM 1846 CA GLU A 114 -12.221 -1.021 -18.467 1.00 11.12 C ATOM 1847 C GLU A 114 -11.357 -2.210 -18.898 1.00 62.13 C ATOM 1848 O GLU A 114 -11.613 -2.854 -19.920 1.00 13.15 O ATOM 1849 CB GLU A 114 -11.613 0.308 -18.990 1.00 10.33 C ATOM 1850 CG GLU A 114 -12.491 1.548 -18.741 1.00 72.54 C ATOM 1851 CD GLU A 114 -13.895 1.450 -19.378 1.00 73.15 C ATOM 1852 OE1 GLU A 114 -14.002 1.519 -20.621 1.00 11.03 O ATOM 1853 OE2 GLU A 114 -14.892 1.291 -18.638 1.00 12.22 O ATOM 0 H GLU A 114 -11.973 -0.162 -16.559 1.00 73.30 H new ATOM 0 HA GLU A 114 -13.216 -1.126 -18.900 1.00 11.12 H new ATOM 0 HB2 GLU A 114 -10.644 0.462 -18.515 1.00 10.33 H new ATOM 0 HB3 GLU A 114 -11.432 0.215 -20.061 1.00 10.33 H new ATOM 0 HG2 GLU A 114 -12.598 1.697 -17.667 1.00 72.54 H new ATOM 0 HG3 GLU A 114 -11.983 2.428 -19.136 1.00 72.54 H new ATOM 1860 N HIS A 115 -10.318 -2.477 -18.102 1.00 35.31 N ATOM 1861 CA HIS A 115 -9.604 -3.747 -18.138 1.00 23.22 C ATOM 1862 C HIS A 115 -10.383 -4.724 -17.243 1.00 72.23 C ATOM 1863 O HIS A 115 -10.176 -4.756 -16.022 1.00 53.52 O ATOM 1864 CB HIS A 115 -8.135 -3.585 -17.664 1.00 0.24 C ATOM 1865 CG HIS A 115 -7.282 -2.735 -18.569 1.00 61.41 C ATOM 1866 ND1 HIS A 115 -6.550 -1.663 -18.118 1.00 0.44 N ATOM 1867 CD2 HIS A 115 -7.003 -2.847 -19.888 1.00 55.12 C ATOM 1868 CE1 HIS A 115 -5.858 -1.153 -19.114 1.00 24.13 C ATOM 1869 NE2 HIS A 115 -6.115 -1.853 -20.196 1.00 23.44 N ATOM 0 H HIS A 115 -9.952 -1.816 -17.416 1.00 35.31 H new ATOM 0 HA HIS A 115 -9.548 -4.127 -19.158 1.00 23.22 H new ATOM 0 HB2 HIS A 115 -8.134 -3.147 -16.666 1.00 0.24 H new ATOM 0 HB3 HIS A 115 -7.682 -4.573 -17.579 1.00 0.24 H new ATOM 0 HD2 HIS A 115 -7.405 -3.582 -20.569 1.00 55.12 H new ATOM 0 HE1 HIS A 115 -5.193 -0.304 -19.053 1.00 24.13 H new ATOM 0 HE2 HIS A 115 -5.716 -1.682 -21.119 1.00 23.44 H new ATOM 1878 N HIS A 116 -11.341 -5.449 -17.864 1.00 71.53 N ATOM 1879 CA HIS A 116 -12.279 -6.338 -17.150 1.00 32.21 C ATOM 1880 C HIS A 116 -11.512 -7.515 -16.519 1.00 42.20 C ATOM 1881 O HIS A 116 -11.213 -8.508 -17.187 1.00 13.13 O ATOM 1882 CB HIS A 116 -13.413 -6.841 -18.095 1.00 2.02 C ATOM 1883 CG HIS A 116 -14.315 -5.751 -18.622 1.00 1.51 C ATOM 1884 ND1 HIS A 116 -15.621 -5.599 -18.226 1.00 41.01 N ATOM 1885 CD2 HIS A 116 -14.088 -4.753 -19.510 1.00 51.42 C ATOM 1886 CE1 HIS A 116 -16.151 -4.564 -18.833 1.00 40.35 C ATOM 1887 NE2 HIS A 116 -15.246 -4.029 -19.618 1.00 61.23 N ATOM 0 H HIS A 116 -11.484 -5.433 -18.874 1.00 71.53 H new ATOM 0 HA HIS A 116 -12.756 -5.769 -16.352 1.00 32.21 H new ATOM 0 HB2 HIS A 116 -12.961 -7.362 -18.939 1.00 2.02 H new ATOM 0 HB3 HIS A 116 -14.020 -7.570 -17.558 1.00 2.02 H new ATOM 0 HD1 HIS A 116 -16.106 -6.200 -17.560 1.00 41.01 H new ATOM 0 HD2 HIS A 116 -13.164 -4.563 -20.036 1.00 51.42 H new ATOM 0 HE1 HIS A 116 -17.164 -4.211 -18.707 1.00 40.35 H new ATOM 1896 N HIS A 117 -11.118 -7.331 -15.248 1.00 33.33 N ATOM 1897 CA HIS A 117 -10.348 -8.317 -14.463 1.00 10.40 C ATOM 1898 C HIS A 117 -10.888 -8.358 -13.018 1.00 73.45 C ATOM 1899 O HIS A 117 -10.126 -8.609 -12.071 1.00 63.44 O ATOM 1900 CB HIS A 117 -8.824 -7.966 -14.466 1.00 75.42 C ATOM 1901 CG HIS A 117 -8.149 -8.026 -15.818 1.00 52.41 C ATOM 1902 ND1 HIS A 117 -8.056 -9.183 -16.563 1.00 41.31 N ATOM 1903 CD2 HIS A 117 -7.554 -7.062 -16.561 1.00 45.11 C ATOM 1904 CE1 HIS A 117 -7.443 -8.921 -17.701 1.00 35.45 C ATOM 1905 NE2 HIS A 117 -7.130 -7.647 -17.724 1.00 22.32 N ATOM 0 H HIS A 117 -11.328 -6.480 -14.726 1.00 33.33 H new ATOM 0 HA HIS A 117 -10.465 -9.299 -14.920 1.00 10.40 H new ATOM 0 HB2 HIS A 117 -8.699 -6.962 -14.060 1.00 75.42 H new ATOM 0 HB3 HIS A 117 -8.309 -8.650 -13.791 1.00 75.42 H new ATOM 0 HD2 HIS A 117 -7.436 -6.024 -16.287 1.00 45.11 H new ATOM 0 HE1 HIS A 117 -7.234 -9.636 -18.483 1.00 35.45 H new ATOM 0 HE2 HIS A 117 -6.648 -7.169 -18.486 1.00 22.32 H new ATOM 1914 N HIS A 118 -12.211 -8.106 -12.863 1.00 42.22 N ATOM 1915 CA HIS A 118 -12.909 -8.211 -11.559 1.00 30.13 C ATOM 1916 C HIS A 118 -12.736 -9.625 -10.960 1.00 12.10 C ATOM 1917 O HIS A 118 -13.110 -10.630 -11.584 1.00 73.03 O ATOM 1918 CB HIS A 118 -14.421 -7.847 -11.693 1.00 74.51 C ATOM 1919 CG HIS A 118 -15.240 -8.741 -12.612 1.00 50.14 C ATOM 1920 ND1 HIS A 118 -16.374 -9.402 -12.206 1.00 64.53 N ATOM 1921 CD2 HIS A 118 -15.080 -9.073 -13.920 1.00 34.25 C ATOM 1922 CE1 HIS A 118 -16.863 -10.100 -13.205 1.00 65.35 C ATOM 1923 NE2 HIS A 118 -16.099 -9.918 -14.258 1.00 63.43 N ATOM 0 H HIS A 118 -12.820 -7.826 -13.632 1.00 42.22 H new ATOM 0 HA HIS A 118 -12.454 -7.491 -10.878 1.00 30.13 H new ATOM 0 HB2 HIS A 118 -14.870 -7.871 -10.700 1.00 74.51 H new ATOM 0 HB3 HIS A 118 -14.497 -6.821 -12.053 1.00 74.51 H new ATOM 0 HD1 HIS A 118 -16.776 -9.357 -11.269 1.00 64.53 H new ATOM 0 HD2 HIS A 118 -14.291 -8.731 -14.573 1.00 34.25 H new ATOM 0 HE1 HIS A 118 -17.746 -10.720 -13.167 1.00 65.35 H new ATOM 1932 N HIS A 119 -12.123 -9.691 -9.767 1.00 41.31 N ATOM 1933 CA HIS A 119 -11.820 -10.967 -9.096 1.00 31.21 C ATOM 1934 C HIS A 119 -13.116 -11.558 -8.518 1.00 71.31 C ATOM 1935 O HIS A 119 -13.303 -12.778 -8.478 1.00 61.12 O ATOM 1936 CB HIS A 119 -10.734 -10.769 -8.012 1.00 15.25 C ATOM 1937 CG HIS A 119 -10.032 -12.041 -7.605 1.00 2.14 C ATOM 1938 ND1 HIS A 119 -10.369 -12.771 -6.490 1.00 72.14 N ATOM 1939 CD2 HIS A 119 -8.990 -12.695 -8.173 1.00 65.04 C ATOM 1940 CE1 HIS A 119 -9.566 -13.810 -6.386 1.00 13.24 C ATOM 1941 NE2 HIS A 119 -8.721 -13.788 -7.396 1.00 72.31 N ATOM 0 H HIS A 119 -11.825 -8.868 -9.243 1.00 41.31 H new ATOM 0 HA HIS A 119 -11.417 -11.676 -9.819 1.00 31.21 H new ATOM 0 HB2 HIS A 119 -9.993 -10.059 -8.380 1.00 15.25 H new ATOM 0 HB3 HIS A 119 -11.193 -10.322 -7.130 1.00 15.25 H new ATOM 0 HD1 HIS A 119 -11.124 -12.543 -5.843 1.00 72.14 H new ATOM 0 HD2 HIS A 119 -8.468 -12.406 -9.073 1.00 65.04 H new ATOM 0 HE1 HIS A 119 -9.596 -14.555 -5.604 1.00 13.24 H new ATOM 1950 N HIS A 120 -14.002 -10.660 -8.059 1.00 14.54 N ATOM 1951 CA HIS A 120 -15.421 -10.960 -7.828 1.00 23.02 C ATOM 1952 C HIS A 120 -16.212 -10.532 -9.089 1.00 73.31 C ATOM 1953 O HIS A 120 -16.463 -11.382 -9.968 1.00 42.44 O ATOM 1954 CB HIS A 120 -15.953 -10.230 -6.555 1.00 34.52 C ATOM 1955 CG HIS A 120 -15.692 -10.942 -5.261 1.00 63.15 C ATOM 1956 ND1 HIS A 120 -14.760 -10.530 -4.344 1.00 72.13 N ATOM 1957 CD2 HIS A 120 -16.306 -12.018 -4.705 1.00 74.31 C ATOM 1958 CE1 HIS A 120 -14.813 -11.309 -3.284 1.00 11.22 C ATOM 1959 NE2 HIS A 120 -15.738 -12.216 -3.480 1.00 71.30 N ATOM 1960 OXT HIS A 120 -16.537 -9.331 -9.218 1.00 37.64 O ATOM 0 H HIS A 120 -13.750 -9.697 -7.836 1.00 14.54 H new ATOM 0 HA HIS A 120 -15.550 -12.028 -7.652 1.00 23.02 H new ATOM 0 HB2 HIS A 120 -15.499 -9.240 -6.506 1.00 34.52 H new ATOM 0 HB3 HIS A 120 -17.028 -10.083 -6.661 1.00 34.52 H new ATOM 0 HD1 HIS A 120 -14.124 -9.742 -4.464 1.00 72.13 H new ATOM 0 HD2 HIS A 120 -17.095 -12.606 -5.149 1.00 74.31 H new ATOM 0 HE1 HIS A 120 -14.198 -11.216 -2.401 1.00 11.22 H new TER 1969 HIS A 120