USER MOD reduce.3.24.130724 H: found=0, std=0, add=790, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 790 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 52 GLN : amide:sc= -0.414 X(o=-3.2,f=-3.1) USER MOD Set 1.2: A 85 ASN : amide:sc= 0.664 K(o=-3.2,f=-6.9!) USER MOD Set 1.3: A 88 MET CE :methyl 149:sc= -3.41 (180deg=-4.68!) USER MOD Set 2.1: A 43 ASN : amide:sc= 0.836 K(o=1.3,f=-0.64) USER MOD Set 2.2: A 58 TYR OH : rot 7:sc= 0.454 USER MOD Set 3.1: A 18 ASN : amide:sc= 0.609 K(o=-0.002,f=-1.2) USER MOD Set 3.2: A 21 GLN : amide:sc= -0.611 X(o=-0.002,f=0.44) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 158:sc= 1.23 (180deg=0.938) USER MOD Single : A 3 GLN : amide:sc= -1.39 K(o=-1.4,f=-0.079) USER MOD Single : A 5 LYS NZ :NH3+ 170:sc=-0.00116 (180deg=-0.0972) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -155:sc= 1.23 (180deg=1.03) USER MOD Single : A 12 ASN : amide:sc=-0.00988 K(o=-0.0099,f=-1) USER MOD Single : A 13 GLN : amide:sc= -0.409 X(o=-0.41,f=-0.056) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 29 THR OG1 : rot -32:sc= 0.412 USER MOD Single : A 34 LYS NZ :NH3+ -153:sc= 0.108 (180deg=0.00461) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 MET CE :methyl -177:sc= -0.137 (180deg=-0.198) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 165:sc= -0.0399 (180deg=-0.25) USER MOD Single : A 56 ASN : amide:sc= 1.21 K(o=1.2,f=-0.0038) USER MOD Single : A 57 ASN : amide:sc= 0.199 K(o=0.2,f=-2.4!) USER MOD Single : A 59 GLN : amide:sc= -0.426 K(o=-0.43,f=-1.8) USER MOD Single : A 60 SER OG : rot 79:sc= 1.23 USER MOD Single : A 65 ASN : amide:sc=-0.00535 K(o=-0.0054,f=-2.2) USER MOD Single : A 68 SER OG : rot -160:sc= 0.024 USER MOD Single : A 72 GLN : amide:sc= -0.101 K(o=-0.1,f=-0.87) USER MOD Single : A 75 LYS NZ :NH3+ -165:sc= -0.0613 (180deg=-0.291) USER MOD Single : A 76 MET CE :methyl -153:sc= -0.119 (180deg=-0.615) USER MOD Single : A 78 MET CE :methyl -132:sc= -0.8 (180deg=-4.93!) USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= -0.181 K(o=-0.18,f=-2!) USER MOD Single : A 91 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 94 HIS : no HD1:sc= -0.66 K(o=-0.66,f=-0.033) USER MOD Single : A 95 HIS : no HD1:sc= -0.0219 X(o=-0.022,f=-0.37) USER MOD Single : A 96 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 97 HIS : no HD1:sc=-0.00292 X(o=-0.0029,f=0) USER MOD Single : A 98 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 99 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.073 12.311 14.344 1.00 23.15 N ATOM 2 CA MET A 1 -2.439 12.719 14.737 1.00 53.13 C ATOM 3 C MET A 1 -3.409 12.519 13.582 1.00 25.23 C ATOM 4 O MET A 1 -3.799 13.473 12.910 1.00 2.23 O ATOM 5 CB MET A 1 -2.465 14.177 15.206 1.00 14.12 C ATOM 6 CG MET A 1 -1.789 14.405 16.551 1.00 13.11 C ATOM 7 SD MET A 1 -0.026 14.020 16.530 1.00 31.13 S ATOM 8 CE MET A 1 0.425 14.407 18.220 1.00 30.33 C ATOM 0 H1 MET A 1 -0.380 12.778 14.963 1.00 23.15 H new ATOM 0 H2 MET A 1 -0.979 11.279 14.436 1.00 23.15 H new ATOM 0 H3 MET A 1 -0.898 12.588 13.357 1.00 23.15 H new ATOM 0 HA MET A 1 -2.751 12.088 15.570 1.00 53.13 H new ATOM 0 HB2 MET A 1 -1.977 14.799 14.455 1.00 14.12 H new ATOM 0 HB3 MET A 1 -3.501 14.509 15.270 1.00 14.12 H new ATOM 0 HG2 MET A 1 -1.924 15.445 16.847 1.00 13.11 H new ATOM 0 HG3 MET A 1 -2.280 13.792 17.307 1.00 13.11 H new ATOM 0 HE1 MET A 1 1.489 14.220 18.365 1.00 30.33 H new ATOM 0 HE2 MET A 1 0.210 15.456 18.423 1.00 30.33 H new ATOM 0 HE3 MET A 1 -0.150 13.781 18.902 1.00 30.33 H new ATOM 20 N ASP A 2 -3.757 11.255 13.343 1.00 71.24 N ATOM 21 CA ASP A 2 -4.723 10.863 12.315 1.00 44.20 C ATOM 22 C ASP A 2 -4.341 11.361 10.925 1.00 2.35 C ATOM 23 O ASP A 2 -5.208 11.560 10.073 1.00 34.13 O ATOM 24 CB ASP A 2 -6.130 11.344 12.670 1.00 14.24 C ATOM 25 CG ASP A 2 -6.714 10.593 13.849 1.00 33.11 C ATOM 26 OD1 ASP A 2 -6.941 9.374 13.726 1.00 2.14 O ATOM 27 OD2 ASP A 2 -6.956 11.223 14.905 1.00 13.43 O ATOM 0 H ASP A 2 -3.373 10.466 13.862 1.00 71.24 H new ATOM 0 HA ASP A 2 -4.711 9.773 12.287 1.00 44.20 H new ATOM 0 HB2 ASP A 2 -6.100 12.409 12.899 1.00 14.24 H new ATOM 0 HB3 ASP A 2 -6.782 11.222 11.805 1.00 14.24 H new ATOM 32 N GLN A 3 -3.044 11.521 10.678 1.00 3.24 N ATOM 33 CA GLN A 3 -2.578 11.937 9.361 1.00 1.35 C ATOM 34 C GLN A 3 -2.902 10.849 8.341 1.00 50.14 C ATOM 35 O GLN A 3 -3.189 11.132 7.178 1.00 22.31 O ATOM 36 CB GLN A 3 -1.074 12.225 9.382 1.00 33.23 C ATOM 37 CG GLN A 3 -0.551 12.816 8.080 1.00 71.15 C ATOM 38 CD GLN A 3 0.934 13.130 8.124 1.00 22.23 C ATOM 39 OE1 GLN A 3 1.342 14.227 8.503 1.00 25.31 O ATOM 40 NE2 GLN A 3 1.754 12.173 7.724 1.00 41.30 N ATOM 0 H GLN A 3 -2.305 11.371 11.365 1.00 3.24 H new ATOM 0 HA GLN A 3 -3.089 12.857 9.078 1.00 1.35 H new ATOM 0 HB2 GLN A 3 -0.855 12.914 10.198 1.00 33.23 H new ATOM 0 HB3 GLN A 3 -0.538 11.300 9.593 1.00 33.23 H new ATOM 0 HG2 GLN A 3 -0.745 12.117 7.267 1.00 71.15 H new ATOM 0 HG3 GLN A 3 -1.103 13.728 7.854 1.00 71.15 H new ATOM 0 HE21 GLN A 3 1.379 11.276 7.416 1.00 41.30 H new ATOM 0 HE22 GLN A 3 2.762 12.332 7.723 1.00 41.30 H new ATOM 49 N LEU A 4 -2.877 9.604 8.805 1.00 64.42 N ATOM 50 CA LEU A 4 -3.239 8.458 7.981 1.00 5.30 C ATOM 51 C LEU A 4 -4.689 8.552 7.524 1.00 63.43 C ATOM 52 O LEU A 4 -5.020 8.170 6.404 1.00 54.13 O ATOM 53 CB LEU A 4 -3.034 7.170 8.775 1.00 25.44 C ATOM 54 CG LEU A 4 -1.579 6.843 9.112 1.00 32.51 C ATOM 55 CD1 LEU A 4 -1.510 5.737 10.153 1.00 31.13 C ATOM 56 CD2 LEU A 4 -0.822 6.442 7.852 1.00 54.24 C ATOM 0 H LEU A 4 -2.606 9.362 9.758 1.00 64.42 H new ATOM 0 HA LEU A 4 -2.599 8.453 7.098 1.00 5.30 H new ATOM 0 HB2 LEU A 4 -3.599 7.240 9.704 1.00 25.44 H new ATOM 0 HB3 LEU A 4 -3.455 6.340 8.207 1.00 25.44 H new ATOM 0 HG LEU A 4 -1.109 7.734 9.528 1.00 32.51 H new ATOM 0 HD11 LEU A 4 -0.467 5.517 10.381 1.00 31.13 H new ATOM 0 HD12 LEU A 4 -2.020 6.059 11.061 1.00 31.13 H new ATOM 0 HD13 LEU A 4 -1.993 4.841 9.764 1.00 31.13 H new ATOM 0 HD21 LEU A 4 0.213 6.212 8.107 1.00 54.24 H new ATOM 0 HD22 LEU A 4 -1.291 5.563 7.410 1.00 54.24 H new ATOM 0 HD23 LEU A 4 -0.845 7.264 7.136 1.00 54.24 H new ATOM 68 N LYS A 5 -5.543 9.082 8.392 1.00 30.40 N ATOM 69 CA LYS A 5 -6.962 9.200 8.089 1.00 73.34 C ATOM 70 C LYS A 5 -7.176 10.177 6.938 1.00 42.45 C ATOM 71 O LYS A 5 -7.986 9.932 6.047 1.00 53.40 O ATOM 72 CB LYS A 5 -7.731 9.647 9.337 1.00 45.23 C ATOM 73 CG LYS A 5 -9.241 9.672 9.159 1.00 2.35 C ATOM 74 CD LYS A 5 -9.953 9.921 10.484 1.00 4.44 C ATOM 75 CE LYS A 5 -9.633 11.296 11.053 1.00 71.12 C ATOM 76 NZ LYS A 5 -10.151 12.396 10.196 1.00 23.50 N ATOM 0 H LYS A 5 -5.276 9.436 9.311 1.00 30.40 H new ATOM 0 HA LYS A 5 -7.343 8.226 7.783 1.00 73.34 H new ATOM 0 HB2 LYS A 5 -7.484 8.979 10.162 1.00 45.23 H new ATOM 0 HB3 LYS A 5 -7.393 10.643 9.622 1.00 45.23 H new ATOM 0 HG2 LYS A 5 -9.512 10.451 8.446 1.00 2.35 H new ATOM 0 HG3 LYS A 5 -9.575 8.724 8.737 1.00 2.35 H new ATOM 0 HD2 LYS A 5 -11.030 9.830 10.340 1.00 4.44 H new ATOM 0 HD3 LYS A 5 -9.661 9.155 11.202 1.00 4.44 H new ATOM 0 HE2 LYS A 5 -10.063 11.383 12.051 1.00 71.12 H new ATOM 0 HE3 LYS A 5 -8.553 11.400 11.161 1.00 71.12 H new ATOM 0 HZ1 LYS A 5 -10.061 13.301 10.701 1.00 23.50 H new ATOM 0 HZ2 LYS A 5 -9.603 12.436 9.313 1.00 23.50 H new ATOM 0 HZ3 LYS A 5 -11.152 12.221 9.974 1.00 23.50 H new ATOM 90 N THR A 6 -6.427 11.269 6.958 1.00 74.41 N ATOM 91 CA THR A 6 -6.453 12.242 5.877 1.00 72.44 C ATOM 92 C THR A 6 -6.003 11.607 4.562 1.00 62.14 C ATOM 93 O THR A 6 -6.621 11.811 3.513 1.00 43.33 O ATOM 94 CB THR A 6 -5.552 13.444 6.225 1.00 12.11 C ATOM 95 OG1 THR A 6 -6.080 14.117 7.374 1.00 74.12 O ATOM 96 CG2 THR A 6 -5.439 14.417 5.060 1.00 52.53 C ATOM 0 H THR A 6 -5.789 11.505 7.718 1.00 74.41 H new ATOM 0 HA THR A 6 -7.478 12.591 5.753 1.00 72.44 H new ATOM 0 HB THR A 6 -4.552 13.069 6.440 1.00 12.11 H new ATOM 0 HG1 THR A 6 -5.508 14.880 7.598 1.00 74.12 H new ATOM 0 HG21 THR A 6 -4.796 15.251 5.343 1.00 52.53 H new ATOM 0 HG22 THR A 6 -5.011 13.905 4.198 1.00 52.53 H new ATOM 0 HG23 THR A 6 -6.429 14.793 4.803 1.00 52.53 H new ATOM 104 N ILE A 7 -4.941 10.817 4.630 1.00 2.14 N ATOM 105 CA ILE A 7 -4.428 10.115 3.462 1.00 53.31 C ATOM 106 C ILE A 7 -5.480 9.160 2.902 1.00 45.43 C ATOM 107 O ILE A 7 -5.674 9.075 1.690 1.00 4.45 O ATOM 108 CB ILE A 7 -3.149 9.332 3.812 1.00 5.53 C ATOM 109 CG1 ILE A 7 -2.068 10.302 4.300 1.00 52.43 C ATOM 110 CG2 ILE A 7 -2.658 8.536 2.607 1.00 3.12 C ATOM 111 CD1 ILE A 7 -0.881 9.624 4.942 1.00 64.34 C ATOM 0 H ILE A 7 -4.415 10.645 5.487 1.00 2.14 H new ATOM 0 HA ILE A 7 -4.187 10.860 2.704 1.00 53.31 H new ATOM 0 HB ILE A 7 -3.374 8.624 4.610 1.00 5.53 H new ATOM 0 HG12 ILE A 7 -1.721 10.898 3.456 1.00 52.43 H new ATOM 0 HG13 ILE A 7 -2.511 10.993 5.017 1.00 52.43 H new ATOM 0 HG21 ILE A 7 -1.754 7.990 2.876 1.00 3.12 H new ATOM 0 HG22 ILE A 7 -3.429 7.831 2.298 1.00 3.12 H new ATOM 0 HG23 ILE A 7 -2.440 9.218 1.785 1.00 3.12 H new ATOM 0 HD11 ILE A 7 -0.160 10.377 5.261 1.00 64.34 H new ATOM 0 HD12 ILE A 7 -1.214 9.051 5.807 1.00 64.34 H new ATOM 0 HD13 ILE A 7 -0.411 8.954 4.222 1.00 64.34 H new ATOM 123 N LYS A 8 -6.165 8.459 3.797 1.00 61.33 N ATOM 124 CA LYS A 8 -7.226 7.544 3.401 1.00 54.41 C ATOM 125 C LYS A 8 -8.322 8.281 2.637 1.00 72.11 C ATOM 126 O LYS A 8 -8.800 7.796 1.613 1.00 21.31 O ATOM 127 CB LYS A 8 -7.802 6.826 4.628 1.00 21.11 C ATOM 128 CG LYS A 8 -6.814 5.860 5.259 1.00 14.20 C ATOM 129 CD LYS A 8 -7.337 5.245 6.546 1.00 12.54 C ATOM 130 CE LYS A 8 -6.339 4.239 7.103 1.00 53.13 C ATOM 131 NZ LYS A 8 -6.747 3.680 8.417 1.00 63.44 N ATOM 0 H LYS A 8 -6.004 8.507 4.803 1.00 61.33 H new ATOM 0 HA LYS A 8 -6.800 6.794 2.735 1.00 54.41 H new ATOM 0 HB2 LYS A 8 -8.104 7.566 5.369 1.00 21.11 H new ATOM 0 HB3 LYS A 8 -8.701 6.282 4.337 1.00 21.11 H new ATOM 0 HG2 LYS A 8 -6.584 5.066 4.549 1.00 14.20 H new ATOM 0 HG3 LYS A 8 -5.880 6.384 5.464 1.00 14.20 H new ATOM 0 HD2 LYS A 8 -7.521 6.028 7.281 1.00 12.54 H new ATOM 0 HD3 LYS A 8 -8.292 4.753 6.359 1.00 12.54 H new ATOM 0 HE2 LYS A 8 -6.218 3.424 6.390 1.00 53.13 H new ATOM 0 HE3 LYS A 8 -5.366 4.720 7.206 1.00 53.13 H new ATOM 0 HZ1 LYS A 8 -5.904 3.360 8.935 1.00 63.44 H new ATOM 0 HZ2 LYS A 8 -7.236 4.413 8.970 1.00 63.44 H new ATOM 0 HZ3 LYS A 8 -7.388 2.874 8.268 1.00 63.44 H new ATOM 145 N GLU A 9 -8.686 9.469 3.112 1.00 14.42 N ATOM 146 CA GLU A 9 -9.708 10.276 2.449 1.00 3.32 C ATOM 147 C GLU A 9 -9.269 10.633 1.033 1.00 4.43 C ATOM 148 O GLU A 9 -10.079 10.668 0.106 1.00 74.31 O ATOM 149 CB GLU A 9 -9.986 11.558 3.239 1.00 33.25 C ATOM 150 CG GLU A 9 -10.434 11.317 4.670 1.00 23.20 C ATOM 151 CD GLU A 9 -11.703 10.492 4.766 1.00 33.43 C ATOM 152 OE1 GLU A 9 -11.613 9.247 4.758 1.00 32.12 O ATOM 153 OE2 GLU A 9 -12.797 11.088 4.866 1.00 61.20 O ATOM 0 H GLU A 9 -8.290 9.894 3.951 1.00 14.42 H new ATOM 0 HA GLU A 9 -10.623 9.686 2.402 1.00 3.32 H new ATOM 0 HB2 GLU A 9 -9.083 12.169 3.250 1.00 33.25 H new ATOM 0 HB3 GLU A 9 -10.754 12.133 2.721 1.00 33.25 H new ATOM 0 HG2 GLU A 9 -9.637 10.810 5.213 1.00 23.20 H new ATOM 0 HG3 GLU A 9 -10.594 12.277 5.161 1.00 23.20 H new ATOM 160 N LEU A 10 -7.979 10.901 0.874 1.00 14.15 N ATOM 161 CA LEU A 10 -7.415 11.227 -0.430 1.00 61.03 C ATOM 162 C LEU A 10 -7.475 10.018 -1.358 1.00 35.21 C ATOM 163 O LEU A 10 -7.906 10.123 -2.504 1.00 43.55 O ATOM 164 CB LEU A 10 -5.969 11.705 -0.283 1.00 31.20 C ATOM 165 CG LEU A 10 -5.785 12.961 0.571 1.00 71.03 C ATOM 166 CD1 LEU A 10 -4.309 13.268 0.757 1.00 62.21 C ATOM 167 CD2 LEU A 10 -6.501 14.149 -0.059 1.00 21.05 C ATOM 0 H LEU A 10 -7.301 10.899 1.636 1.00 14.15 H new ATOM 0 HA LEU A 10 -8.008 12.031 -0.867 1.00 61.03 H new ATOM 0 HB2 LEU A 10 -5.379 10.899 0.152 1.00 31.20 H new ATOM 0 HB3 LEU A 10 -5.563 11.897 -1.276 1.00 31.20 H new ATOM 0 HG LEU A 10 -6.225 12.775 1.551 1.00 71.03 H new ATOM 0 HD11 LEU A 10 -4.198 14.165 1.367 1.00 62.21 H new ATOM 0 HD12 LEU A 10 -3.823 12.429 1.254 1.00 62.21 H new ATOM 0 HD13 LEU A 10 -3.846 13.431 -0.216 1.00 62.21 H new ATOM 0 HD21 LEU A 10 -6.358 15.032 0.564 1.00 21.05 H new ATOM 0 HD22 LEU A 10 -6.092 14.335 -1.052 1.00 21.05 H new ATOM 0 HD23 LEU A 10 -7.566 13.931 -0.140 1.00 21.05 H new ATOM 179 N ILE A 11 -7.064 8.866 -0.848 1.00 72.22 N ATOM 180 CA ILE A 11 -7.092 7.630 -1.620 1.00 23.41 C ATOM 181 C ILE A 11 -8.524 7.273 -2.015 1.00 51.33 C ATOM 182 O ILE A 11 -8.779 6.847 -3.142 1.00 71.24 O ATOM 183 CB ILE A 11 -6.463 6.462 -0.827 1.00 40.12 C ATOM 184 CG1 ILE A 11 -5.019 6.803 -0.463 1.00 43.32 C ATOM 185 CG2 ILE A 11 -6.521 5.170 -1.634 1.00 53.20 C ATOM 186 CD1 ILE A 11 -4.366 5.804 0.463 1.00 45.14 C ATOM 0 H ILE A 11 -6.706 8.760 0.101 1.00 72.22 H new ATOM 0 HA ILE A 11 -6.503 7.793 -2.523 1.00 23.41 H new ATOM 0 HB ILE A 11 -7.033 6.312 0.090 1.00 40.12 H new ATOM 0 HG12 ILE A 11 -4.431 6.873 -1.378 1.00 43.32 H new ATOM 0 HG13 ILE A 11 -4.996 7.787 0.006 1.00 43.32 H new ATOM 0 HG21 ILE A 11 -6.073 4.361 -1.058 1.00 53.20 H new ATOM 0 HG22 ILE A 11 -7.560 4.926 -1.856 1.00 53.20 H new ATOM 0 HG23 ILE A 11 -5.972 5.299 -2.567 1.00 53.20 H new ATOM 0 HD11 ILE A 11 -3.343 6.117 0.673 1.00 45.14 H new ATOM 0 HD12 ILE A 11 -4.928 5.751 1.395 1.00 45.14 H new ATOM 0 HD13 ILE A 11 -4.355 4.822 -0.011 1.00 45.14 H new ATOM 198 N ASN A 12 -9.455 7.481 -1.090 1.00 11.14 N ATOM 199 CA ASN A 12 -10.865 7.184 -1.329 1.00 3.32 C ATOM 200 C ASN A 12 -11.445 8.055 -2.441 1.00 65.32 C ATOM 201 O ASN A 12 -12.303 7.608 -3.204 1.00 32.21 O ATOM 202 CB ASN A 12 -11.692 7.371 -0.048 1.00 45.13 C ATOM 203 CG ASN A 12 -11.412 6.304 0.992 1.00 2.42 C ATOM 204 OD1 ASN A 12 -11.090 5.165 0.659 1.00 0.42 O ATOM 205 ND2 ASN A 12 -11.533 6.664 2.259 1.00 52.12 N ATOM 0 H ASN A 12 -9.258 7.856 -0.162 1.00 11.14 H new ATOM 0 HA ASN A 12 -10.920 6.141 -1.642 1.00 3.32 H new ATOM 0 HB2 ASN A 12 -11.478 8.352 0.377 1.00 45.13 H new ATOM 0 HB3 ASN A 12 -12.752 7.357 -0.300 1.00 45.13 H new ATOM 0 HD21 ASN A 12 -11.357 5.986 3.001 1.00 52.12 H new ATOM 0 HD22 ASN A 12 -11.802 7.619 2.494 1.00 52.12 H new ATOM 212 N GLN A 13 -10.977 9.296 -2.534 1.00 52.15 N ATOM 213 CA GLN A 13 -11.500 10.228 -3.528 1.00 3.21 C ATOM 214 C GLN A 13 -10.730 10.132 -4.846 1.00 25.42 C ATOM 215 O GLN A 13 -11.218 10.564 -5.889 1.00 32.33 O ATOM 216 CB GLN A 13 -11.472 11.664 -2.992 1.00 75.24 C ATOM 217 CG GLN A 13 -10.079 12.230 -2.789 1.00 12.35 C ATOM 218 CD GLN A 13 -10.095 13.553 -2.054 1.00 25.14 C ATOM 219 OE1 GLN A 13 -10.172 14.618 -2.666 1.00 64.33 O ATOM 220 NE2 GLN A 13 -10.038 13.487 -0.734 1.00 62.44 N ATOM 0 H GLN A 13 -10.242 9.678 -1.938 1.00 52.15 H new ATOM 0 HA GLN A 13 -12.535 9.951 -3.727 1.00 3.21 H new ATOM 0 HB2 GLN A 13 -12.015 12.308 -3.684 1.00 75.24 H new ATOM 0 HB3 GLN A 13 -12.006 11.695 -2.042 1.00 75.24 H new ATOM 0 HG2 GLN A 13 -9.477 11.514 -2.230 1.00 12.35 H new ATOM 0 HG3 GLN A 13 -9.599 12.362 -3.758 1.00 12.35 H new ATOM 0 HE21 GLN A 13 -9.975 12.580 -0.271 1.00 62.44 H new ATOM 0 HE22 GLN A 13 -10.057 14.343 -0.179 1.00 62.44 H new ATOM 229 N GLY A 14 -9.532 9.568 -4.797 1.00 53.41 N ATOM 230 CA GLY A 14 -8.747 9.401 -6.007 1.00 52.44 C ATOM 231 C GLY A 14 -7.595 10.382 -6.100 1.00 75.42 C ATOM 232 O GLY A 14 -6.969 10.520 -7.152 1.00 1.14 O ATOM 0 H GLY A 14 -9.089 9.224 -3.945 1.00 53.41 H new ATOM 0 HA2 GLY A 14 -8.356 8.384 -6.044 1.00 52.44 H new ATOM 0 HA3 GLY A 14 -9.395 9.525 -6.875 1.00 52.44 H new ATOM 236 N ASP A 15 -7.315 11.064 -5.001 1.00 42.03 N ATOM 237 CA ASP A 15 -6.201 12.002 -4.947 1.00 71.23 C ATOM 238 C ASP A 15 -4.937 11.248 -4.536 1.00 74.02 C ATOM 239 O ASP A 15 -4.446 11.371 -3.409 1.00 4.11 O ATOM 240 CB ASP A 15 -6.515 13.135 -3.966 1.00 24.41 C ATOM 241 CG ASP A 15 -5.643 14.356 -4.178 1.00 73.23 C ATOM 242 OD1 ASP A 15 -5.348 14.689 -5.345 1.00 61.42 O ATOM 243 OD2 ASP A 15 -5.264 14.999 -3.181 1.00 13.41 O ATOM 0 H ASP A 15 -7.844 10.987 -4.132 1.00 42.03 H new ATOM 0 HA ASP A 15 -6.041 12.449 -5.928 1.00 71.23 H new ATOM 0 HB2 ASP A 15 -7.562 13.420 -4.070 1.00 24.41 H new ATOM 0 HB3 ASP A 15 -6.383 12.773 -2.946 1.00 24.41 H new ATOM 248 N ILE A 16 -4.435 10.450 -5.470 1.00 42.11 N ATOM 249 CA ILE A 16 -3.422 9.442 -5.181 1.00 61.44 C ATOM 250 C ILE A 16 -2.060 10.044 -4.843 1.00 1.44 C ATOM 251 O ILE A 16 -1.485 9.725 -3.806 1.00 43.11 O ATOM 252 CB ILE A 16 -3.268 8.463 -6.366 1.00 53.21 C ATOM 253 CG1 ILE A 16 -4.616 7.808 -6.696 1.00 70.53 C ATOM 254 CG2 ILE A 16 -2.220 7.401 -6.057 1.00 25.45 C ATOM 255 CD1 ILE A 16 -5.219 7.033 -5.540 1.00 70.24 C ATOM 0 H ILE A 16 -4.718 10.483 -6.449 1.00 42.11 H new ATOM 0 HA ILE A 16 -3.774 8.906 -4.299 1.00 61.44 H new ATOM 0 HB ILE A 16 -2.933 9.028 -7.236 1.00 53.21 H new ATOM 0 HG12 ILE A 16 -5.318 8.581 -7.009 1.00 70.53 H new ATOM 0 HG13 ILE A 16 -4.485 7.135 -7.543 1.00 70.53 H new ATOM 0 HG21 ILE A 16 -2.128 6.723 -6.905 1.00 25.45 H new ATOM 0 HG22 ILE A 16 -1.259 7.881 -5.871 1.00 25.45 H new ATOM 0 HG23 ILE A 16 -2.522 6.838 -5.173 1.00 25.45 H new ATOM 0 HD11 ILE A 16 -6.170 6.599 -5.849 1.00 70.24 H new ATOM 0 HD12 ILE A 16 -4.537 6.237 -5.241 1.00 70.24 H new ATOM 0 HD13 ILE A 16 -5.384 7.705 -4.698 1.00 70.24 H new ATOM 267 N GLU A 17 -1.545 10.909 -5.708 1.00 23.10 N ATOM 268 CA GLU A 17 -0.193 11.436 -5.536 1.00 72.42 C ATOM 269 C GLU A 17 -0.045 12.185 -4.218 1.00 60.10 C ATOM 270 O GLU A 17 0.957 12.033 -3.518 1.00 2.25 O ATOM 271 CB GLU A 17 0.179 12.358 -6.684 1.00 65.43 C ATOM 272 CG GLU A 17 0.171 11.682 -8.038 1.00 44.34 C ATOM 273 CD GLU A 17 0.762 12.565 -9.110 1.00 71.11 C ATOM 274 OE1 GLU A 17 0.255 13.692 -9.302 1.00 42.13 O ATOM 275 OE2 GLU A 17 1.742 12.142 -9.755 1.00 74.33 O ATOM 0 H GLU A 17 -2.037 11.259 -6.530 1.00 23.10 H new ATOM 0 HA GLU A 17 0.483 10.581 -5.526 1.00 72.42 H new ATOM 0 HB2 GLU A 17 -0.516 13.197 -6.703 1.00 65.43 H new ATOM 0 HB3 GLU A 17 1.171 12.770 -6.500 1.00 65.43 H new ATOM 0 HG2 GLU A 17 0.735 10.751 -7.983 1.00 44.34 H new ATOM 0 HG3 GLU A 17 -0.852 11.419 -8.307 1.00 44.34 H new ATOM 282 N ASN A 18 -1.037 12.993 -3.882 1.00 72.33 N ATOM 283 CA ASN A 18 -1.013 13.738 -2.631 1.00 13.14 C ATOM 284 C ASN A 18 -1.046 12.785 -1.446 1.00 11.12 C ATOM 285 O ASN A 18 -0.372 13.008 -0.440 1.00 5.11 O ATOM 286 CB ASN A 18 -2.180 14.723 -2.557 1.00 52.24 C ATOM 287 CG ASN A 18 -2.031 15.878 -3.530 1.00 2.04 C ATOM 288 OD1 ASN A 18 -0.921 16.312 -3.837 1.00 23.12 O ATOM 289 ND2 ASN A 18 -3.145 16.375 -4.031 1.00 12.23 N ATOM 0 H ASN A 18 -1.866 13.150 -4.454 1.00 72.33 H new ATOM 0 HA ASN A 18 -0.086 14.310 -2.594 1.00 13.14 H new ATOM 0 HB2 ASN A 18 -3.110 14.195 -2.766 1.00 52.24 H new ATOM 0 HB3 ASN A 18 -2.256 15.115 -1.543 1.00 52.24 H new ATOM 0 HD21 ASN A 18 -3.105 17.146 -4.698 1.00 12.23 H new ATOM 0 HD22 ASN A 18 -4.047 15.988 -3.752 1.00 12.23 H new ATOM 296 N ALA A 19 -1.816 11.712 -1.577 1.00 31.34 N ATOM 297 CA ALA A 19 -1.849 10.674 -0.559 1.00 72.32 C ATOM 298 C ALA A 19 -0.486 9.997 -0.434 1.00 42.22 C ATOM 299 O ALA A 19 0.021 9.805 0.667 1.00 5.43 O ATOM 300 CB ALA A 19 -2.926 9.654 -0.892 1.00 71.24 C ATOM 0 H ALA A 19 -2.424 11.540 -2.377 1.00 31.34 H new ATOM 0 HA ALA A 19 -2.086 11.133 0.401 1.00 72.32 H new ATOM 0 HB1 ALA A 19 -2.944 8.880 -0.125 1.00 71.24 H new ATOM 0 HB2 ALA A 19 -3.896 10.149 -0.931 1.00 71.24 H new ATOM 0 HB3 ALA A 19 -2.711 9.201 -1.860 1.00 71.24 H new ATOM 306 N LEU A 20 0.114 9.668 -1.576 1.00 10.25 N ATOM 307 CA LEU A 20 1.396 8.966 -1.611 1.00 62.45 C ATOM 308 C LEU A 20 2.507 9.772 -0.943 1.00 54.00 C ATOM 309 O LEU A 20 3.232 9.251 -0.093 1.00 15.42 O ATOM 310 CB LEU A 20 1.795 8.642 -3.051 1.00 0.15 C ATOM 311 CG LEU A 20 0.861 7.684 -3.787 1.00 13.12 C ATOM 312 CD1 LEU A 20 1.329 7.484 -5.220 1.00 24.10 C ATOM 313 CD2 LEU A 20 0.785 6.351 -3.058 1.00 44.42 C ATOM 0 H LEU A 20 -0.271 9.878 -2.497 1.00 10.25 H new ATOM 0 HA LEU A 20 1.266 8.039 -1.052 1.00 62.45 H new ATOM 0 HB2 LEU A 20 1.850 9.574 -3.614 1.00 0.15 H new ATOM 0 HB3 LEU A 20 2.797 8.214 -3.045 1.00 0.15 H new ATOM 0 HG LEU A 20 -0.137 8.121 -3.809 1.00 13.12 H new ATOM 0 HD11 LEU A 20 0.653 6.799 -5.731 1.00 24.10 H new ATOM 0 HD12 LEU A 20 1.334 8.443 -5.738 1.00 24.10 H new ATOM 0 HD13 LEU A 20 2.336 7.067 -5.219 1.00 24.10 H new ATOM 0 HD21 LEU A 20 0.115 5.680 -3.596 1.00 44.42 H new ATOM 0 HD22 LEU A 20 1.779 5.907 -3.007 1.00 44.42 H new ATOM 0 HD23 LEU A 20 0.406 6.510 -2.048 1.00 44.42 H new ATOM 325 N GLN A 21 2.636 11.040 -1.319 1.00 14.33 N ATOM 326 CA GLN A 21 3.694 11.888 -0.777 1.00 44.43 C ATOM 327 C GLN A 21 3.489 12.129 0.717 1.00 20.52 C ATOM 328 O GLN A 21 4.452 12.306 1.464 1.00 62.22 O ATOM 329 CB GLN A 21 3.775 13.216 -1.540 1.00 13.01 C ATOM 330 CG GLN A 21 2.514 14.056 -1.461 1.00 21.44 C ATOM 331 CD GLN A 21 2.538 15.222 -2.426 1.00 65.20 C ATOM 332 OE1 GLN A 21 2.993 16.314 -2.091 1.00 60.43 O ATOM 333 NE2 GLN A 21 2.048 14.993 -3.631 1.00 55.04 N ATOM 0 H GLN A 21 2.025 11.502 -1.993 1.00 14.33 H new ATOM 0 HA GLN A 21 4.643 11.367 -0.906 1.00 44.43 H new ATOM 0 HB2 GLN A 21 4.610 13.797 -1.149 1.00 13.01 H new ATOM 0 HB3 GLN A 21 3.995 13.008 -2.587 1.00 13.01 H new ATOM 0 HG2 GLN A 21 1.648 13.429 -1.674 1.00 21.44 H new ATOM 0 HG3 GLN A 21 2.393 14.431 -0.445 1.00 21.44 H new ATOM 0 HE21 GLN A 21 1.681 14.071 -3.865 1.00 55.04 H new ATOM 0 HE22 GLN A 21 2.037 15.738 -4.327 1.00 55.04 H new ATOM 342 N ALA A 22 2.234 12.117 1.150 1.00 75.13 N ATOM 343 CA ALA A 22 1.919 12.233 2.568 1.00 33.12 C ATOM 344 C ALA A 22 2.238 10.930 3.296 1.00 21.14 C ATOM 345 O ALA A 22 2.600 10.931 4.473 1.00 32.43 O ATOM 346 CB ALA A 22 0.457 12.611 2.756 1.00 13.31 C ATOM 0 H ALA A 22 1.420 12.028 0.541 1.00 75.13 H new ATOM 0 HA ALA A 22 2.536 13.022 2.997 1.00 33.12 H new ATOM 0 HB1 ALA A 22 0.237 12.694 3.820 1.00 13.31 H new ATOM 0 HB2 ALA A 22 0.263 13.567 2.270 1.00 13.31 H new ATOM 0 HB3 ALA A 22 -0.177 11.843 2.313 1.00 13.31 H new ATOM 352 N LEU A 23 2.116 9.818 2.580 1.00 23.13 N ATOM 353 CA LEU A 23 2.405 8.502 3.137 1.00 53.24 C ATOM 354 C LEU A 23 3.894 8.326 3.398 1.00 52.14 C ATOM 355 O LEU A 23 4.292 7.897 4.480 1.00 73.12 O ATOM 356 CB LEU A 23 1.907 7.405 2.196 1.00 32.02 C ATOM 357 CG LEU A 23 0.401 7.178 2.216 1.00 21.31 C ATOM 358 CD1 LEU A 23 -0.037 6.359 1.013 1.00 42.53 C ATOM 359 CD2 LEU A 23 -0.004 6.486 3.506 1.00 70.20 C ATOM 0 H LEU A 23 1.817 9.803 1.605 1.00 23.13 H new ATOM 0 HA LEU A 23 1.881 8.422 4.089 1.00 53.24 H new ATOM 0 HB2 LEU A 23 2.209 7.655 1.179 1.00 32.02 H new ATOM 0 HB3 LEU A 23 2.404 6.470 2.456 1.00 32.02 H new ATOM 0 HG LEU A 23 -0.096 8.147 2.165 1.00 21.31 H new ATOM 0 HD11 LEU A 23 -1.116 6.209 1.048 1.00 42.53 H new ATOM 0 HD12 LEU A 23 0.226 6.888 0.097 1.00 42.53 H new ATOM 0 HD13 LEU A 23 0.464 5.391 1.030 1.00 42.53 H new ATOM 0 HD21 LEU A 23 -1.082 6.328 3.511 1.00 70.20 H new ATOM 0 HD22 LEU A 23 0.504 5.524 3.578 1.00 70.20 H new ATOM 0 HD23 LEU A 23 0.275 7.108 4.356 1.00 70.20 H new ATOM 371 N GLU A 24 4.717 8.660 2.413 1.00 73.34 N ATOM 372 CA GLU A 24 6.162 8.559 2.574 1.00 42.15 C ATOM 373 C GLU A 24 6.652 9.563 3.613 1.00 42.41 C ATOM 374 O GLU A 24 7.629 9.312 4.317 1.00 24.23 O ATOM 375 CB GLU A 24 6.879 8.747 1.232 1.00 61.22 C ATOM 376 CG GLU A 24 6.464 9.991 0.469 1.00 21.14 C ATOM 377 CD GLU A 24 7.146 10.087 -0.878 1.00 65.33 C ATOM 378 OE1 GLU A 24 6.642 9.489 -1.850 1.00 52.24 O ATOM 379 OE2 GLU A 24 8.205 10.742 -0.973 1.00 64.04 O ATOM 0 H GLU A 24 4.413 9.001 1.501 1.00 73.34 H new ATOM 0 HA GLU A 24 6.401 7.558 2.933 1.00 42.15 H new ATOM 0 HB2 GLU A 24 7.954 8.786 1.410 1.00 61.22 H new ATOM 0 HB3 GLU A 24 6.691 7.873 0.608 1.00 61.22 H new ATOM 0 HG2 GLU A 24 5.383 9.985 0.328 1.00 21.14 H new ATOM 0 HG3 GLU A 24 6.704 10.875 1.060 1.00 21.14 H new ATOM 386 N GLU A 25 5.950 10.688 3.716 1.00 75.11 N ATOM 387 CA GLU A 25 6.213 11.674 4.749 1.00 50.14 C ATOM 388 C GLU A 25 5.947 11.064 6.124 1.00 74.25 C ATOM 389 O GLU A 25 6.730 11.227 7.061 1.00 12.52 O ATOM 390 CB GLU A 25 5.303 12.882 4.526 1.00 5.54 C ATOM 391 CG GLU A 25 5.650 14.085 5.372 1.00 44.54 C ATOM 392 CD GLU A 25 6.966 14.713 4.970 1.00 40.03 C ATOM 393 OE1 GLU A 25 7.056 15.225 3.836 1.00 3.04 O ATOM 394 OE2 GLU A 25 7.914 14.698 5.779 1.00 53.01 O ATOM 0 H GLU A 25 5.187 10.937 3.087 1.00 75.11 H new ATOM 0 HA GLU A 25 7.255 11.990 4.702 1.00 50.14 H new ATOM 0 HB2 GLU A 25 5.347 13.167 3.475 1.00 5.54 H new ATOM 0 HB3 GLU A 25 4.274 12.590 4.734 1.00 5.54 H new ATOM 0 HG2 GLU A 25 4.856 14.827 5.287 1.00 44.54 H new ATOM 0 HG3 GLU A 25 5.698 13.787 6.420 1.00 44.54 H new ATOM 401 N PHE A 26 4.841 10.335 6.218 1.00 62.41 N ATOM 402 CA PHE A 26 4.430 9.698 7.461 1.00 71.50 C ATOM 403 C PHE A 26 5.439 8.635 7.885 1.00 55.42 C ATOM 404 O PHE A 26 5.748 8.495 9.064 1.00 2.40 O ATOM 405 CB PHE A 26 3.043 9.073 7.289 1.00 25.12 C ATOM 406 CG PHE A 26 2.453 8.525 8.559 1.00 61.43 C ATOM 407 CD1 PHE A 26 1.763 9.353 9.429 1.00 24.44 C ATOM 408 CD2 PHE A 26 2.588 7.184 8.882 1.00 14.42 C ATOM 409 CE1 PHE A 26 1.218 8.856 10.596 1.00 34.44 C ATOM 410 CE2 PHE A 26 2.045 6.681 10.048 1.00 21.32 C ATOM 411 CZ PHE A 26 1.359 7.519 10.907 1.00 44.11 C ATOM 0 H PHE A 26 4.206 10.170 5.437 1.00 62.41 H new ATOM 0 HA PHE A 26 4.387 10.456 8.243 1.00 71.50 H new ATOM 0 HB2 PHE A 26 2.366 9.824 6.881 1.00 25.12 H new ATOM 0 HB3 PHE A 26 3.107 8.270 6.555 1.00 25.12 H new ATOM 0 HD1 PHE A 26 1.650 10.400 9.191 1.00 24.44 H new ATOM 0 HD2 PHE A 26 3.124 6.525 8.215 1.00 14.42 H new ATOM 0 HE1 PHE A 26 0.682 9.513 11.265 1.00 34.44 H new ATOM 0 HE2 PHE A 26 2.156 5.634 10.288 1.00 21.32 H new ATOM 0 HZ PHE A 26 0.934 7.128 11.820 1.00 44.11 H new ATOM 421 N LEU A 27 5.963 7.902 6.910 1.00 54.53 N ATOM 422 CA LEU A 27 6.937 6.847 7.171 1.00 52.20 C ATOM 423 C LEU A 27 8.184 7.398 7.859 1.00 64.04 C ATOM 424 O LEU A 27 8.879 6.682 8.581 1.00 65.04 O ATOM 425 CB LEU A 27 7.336 6.166 5.861 1.00 73.21 C ATOM 426 CG LEU A 27 6.214 5.411 5.149 1.00 41.13 C ATOM 427 CD1 LEU A 27 6.686 4.920 3.791 1.00 52.31 C ATOM 428 CD2 LEU A 27 5.740 4.244 5.998 1.00 12.13 C ATOM 0 H LEU A 27 5.728 8.020 5.924 1.00 54.53 H new ATOM 0 HA LEU A 27 6.470 6.121 7.836 1.00 52.20 H new ATOM 0 HB2 LEU A 27 7.730 6.923 5.183 1.00 73.21 H new ATOM 0 HB3 LEU A 27 8.148 5.468 6.066 1.00 73.21 H new ATOM 0 HG LEU A 27 5.377 6.093 5.000 1.00 41.13 H new ATOM 0 HD11 LEU A 27 5.876 4.384 3.296 1.00 52.31 H new ATOM 0 HD12 LEU A 27 6.984 5.772 3.180 1.00 52.31 H new ATOM 0 HD13 LEU A 27 7.537 4.251 3.921 1.00 52.31 H new ATOM 0 HD21 LEU A 27 4.941 3.716 5.477 1.00 12.13 H new ATOM 0 HD22 LEU A 27 6.571 3.561 6.174 1.00 12.13 H new ATOM 0 HD23 LEU A 27 5.367 4.616 6.952 1.00 12.13 H new ATOM 440 N GLN A 28 8.455 8.674 7.639 1.00 42.14 N ATOM 441 CA GLN A 28 9.644 9.309 8.185 1.00 70.45 C ATOM 442 C GLN A 28 9.396 9.838 9.596 1.00 64.45 C ATOM 443 O GLN A 28 10.337 10.065 10.355 1.00 14.21 O ATOM 444 CB GLN A 28 10.087 10.449 7.267 1.00 31.13 C ATOM 445 CG GLN A 28 10.460 9.988 5.867 1.00 20.31 C ATOM 446 CD GLN A 28 10.675 11.143 4.911 1.00 31.13 C ATOM 447 OE1 GLN A 28 11.066 12.237 5.314 1.00 4.23 O ATOM 448 NE2 GLN A 28 10.427 10.907 3.636 1.00 14.34 N ATOM 0 H GLN A 28 7.865 9.293 7.083 1.00 42.14 H new ATOM 0 HA GLN A 28 10.433 8.560 8.244 1.00 70.45 H new ATOM 0 HB2 GLN A 28 9.284 11.183 7.198 1.00 31.13 H new ATOM 0 HB3 GLN A 28 10.943 10.954 7.715 1.00 31.13 H new ATOM 0 HG2 GLN A 28 11.369 9.388 5.916 1.00 20.31 H new ATOM 0 HG3 GLN A 28 9.672 9.342 5.479 1.00 20.31 H new ATOM 0 HE21 GLN A 28 10.104 9.985 3.341 1.00 14.34 H new ATOM 0 HE22 GLN A 28 10.559 11.646 2.946 1.00 14.34 H new ATOM 457 N THR A 29 8.130 10.019 9.950 1.00 54.52 N ATOM 458 CA THR A 29 7.785 10.598 11.241 1.00 74.23 C ATOM 459 C THR A 29 7.098 9.577 12.153 1.00 31.22 C ATOM 460 O THR A 29 6.829 9.860 13.320 1.00 75.41 O ATOM 461 CB THR A 29 6.884 11.846 11.072 1.00 75.24 C ATOM 462 OG1 THR A 29 6.705 12.509 12.330 1.00 73.02 O ATOM 463 CG2 THR A 29 5.525 11.476 10.501 1.00 23.35 C ATOM 0 H THR A 29 7.330 9.775 9.366 1.00 54.52 H new ATOM 0 HA THR A 29 8.720 10.902 11.712 1.00 74.23 H new ATOM 0 HB THR A 29 7.384 12.517 10.373 1.00 75.24 H new ATOM 0 HG1 THR A 29 6.720 11.848 13.053 1.00 73.02 H new ATOM 0 HG21 THR A 29 4.918 12.375 10.395 1.00 23.35 H new ATOM 0 HG22 THR A 29 5.655 11.009 9.525 1.00 23.35 H new ATOM 0 HG23 THR A 29 5.026 10.778 11.173 1.00 23.35 H new ATOM 471 N GLU A 30 6.829 8.389 11.625 1.00 73.51 N ATOM 472 CA GLU A 30 6.158 7.351 12.393 1.00 30.32 C ATOM 473 C GLU A 30 6.748 5.978 12.105 1.00 4.43 C ATOM 474 O GLU A 30 6.406 5.334 11.115 1.00 74.33 O ATOM 475 CB GLU A 30 4.661 7.357 12.095 1.00 73.01 C ATOM 476 CG GLU A 30 3.847 8.134 13.114 1.00 1.25 C ATOM 477 CD GLU A 30 3.721 7.404 14.436 1.00 10.25 C ATOM 478 OE1 GLU A 30 4.621 6.609 14.771 1.00 5.52 O ATOM 479 OE2 GLU A 30 2.719 7.632 15.149 1.00 13.03 O ATOM 0 H GLU A 30 7.065 8.122 10.669 1.00 73.51 H new ATOM 0 HA GLU A 30 6.311 7.565 13.451 1.00 30.32 H new ATOM 0 HB2 GLU A 30 4.497 7.786 11.106 1.00 73.01 H new ATOM 0 HB3 GLU A 30 4.301 6.329 12.061 1.00 73.01 H new ATOM 0 HG2 GLU A 30 4.313 9.105 13.282 1.00 1.25 H new ATOM 0 HG3 GLU A 30 2.852 8.323 12.711 1.00 1.25 H new ATOM 486 N PRO A 31 7.665 5.526 12.966 1.00 45.03 N ATOM 487 CA PRO A 31 8.296 4.207 12.856 1.00 43.42 C ATOM 488 C PRO A 31 7.345 3.054 13.164 1.00 20.31 C ATOM 489 O PRO A 31 7.552 1.929 12.708 1.00 4.44 O ATOM 490 CB PRO A 31 9.417 4.264 13.898 1.00 14.41 C ATOM 491 CG PRO A 31 8.946 5.265 14.895 1.00 21.25 C ATOM 492 CD PRO A 31 8.192 6.296 14.105 1.00 40.00 C ATOM 0 HA PRO A 31 8.638 4.014 11.839 1.00 43.42 H new ATOM 0 HB2 PRO A 31 9.580 3.290 14.360 1.00 14.41 H new ATOM 0 HB3 PRO A 31 10.363 4.566 13.448 1.00 14.41 H new ATOM 0 HG2 PRO A 31 8.306 4.800 15.645 1.00 21.25 H new ATOM 0 HG3 PRO A 31 9.785 5.714 15.426 1.00 21.25 H new ATOM 0 HD2 PRO A 31 7.391 6.747 14.691 1.00 40.00 H new ATOM 0 HD3 PRO A 31 8.842 7.107 13.777 1.00 40.00 H new ATOM 500 N VAL A 32 6.295 3.335 13.916 1.00 4.03 N ATOM 501 CA VAL A 32 5.385 2.285 14.357 1.00 41.42 C ATOM 502 C VAL A 32 4.151 2.192 13.454 1.00 50.53 C ATOM 503 O VAL A 32 3.528 1.137 13.350 1.00 11.35 O ATOM 504 CB VAL A 32 4.959 2.492 15.830 1.00 51.54 C ATOM 505 CG1 VAL A 32 4.120 3.748 15.991 1.00 34.24 C ATOM 506 CG2 VAL A 32 4.218 1.274 16.363 1.00 14.04 C ATOM 0 H VAL A 32 6.050 4.273 14.234 1.00 4.03 H new ATOM 0 HA VAL A 32 5.928 1.342 14.286 1.00 41.42 H new ATOM 0 HB VAL A 32 5.867 2.619 16.419 1.00 51.54 H new ATOM 0 HG11 VAL A 32 3.837 3.865 17.037 1.00 34.24 H new ATOM 0 HG12 VAL A 32 4.698 4.615 15.673 1.00 34.24 H new ATOM 0 HG13 VAL A 32 3.222 3.666 15.379 1.00 34.24 H new ATOM 0 HG21 VAL A 32 3.931 1.448 17.400 1.00 14.04 H new ATOM 0 HG22 VAL A 32 3.325 1.100 15.763 1.00 14.04 H new ATOM 0 HG23 VAL A 32 4.867 0.400 16.308 1.00 14.04 H new ATOM 516 N GLY A 33 3.819 3.286 12.779 1.00 42.40 N ATOM 517 CA GLY A 33 2.633 3.308 11.942 1.00 43.34 C ATOM 518 C GLY A 33 2.953 3.096 10.479 1.00 0.22 C ATOM 519 O GLY A 33 2.157 3.436 9.602 1.00 62.43 O ATOM 0 H GLY A 33 4.349 4.158 12.796 1.00 42.40 H new ATOM 0 HA2 GLY A 33 1.942 2.533 12.276 1.00 43.34 H new ATOM 0 HA3 GLY A 33 2.123 4.264 12.064 1.00 43.34 H new ATOM 523 N LYS A 34 4.120 2.523 10.213 1.00 42.33 N ATOM 524 CA LYS A 34 4.577 2.314 8.845 1.00 22.45 C ATOM 525 C LYS A 34 3.679 1.326 8.112 1.00 65.54 C ATOM 526 O LYS A 34 3.395 1.497 6.928 1.00 14.10 O ATOM 527 CB LYS A 34 6.015 1.789 8.826 1.00 5.22 C ATOM 528 CG LYS A 34 7.001 2.642 9.601 1.00 34.01 C ATOM 529 CD LYS A 34 8.185 3.050 8.741 1.00 3.24 C ATOM 530 CE LYS A 34 9.316 3.599 9.585 1.00 33.04 C ATOM 531 NZ LYS A 34 10.476 4.026 8.761 1.00 61.53 N ATOM 0 H LYS A 34 4.769 2.194 10.928 1.00 42.33 H new ATOM 0 HA LYS A 34 4.536 3.279 8.339 1.00 22.45 H new ATOM 0 HB2 LYS A 34 6.026 0.779 9.235 1.00 5.22 H new ATOM 0 HB3 LYS A 34 6.350 1.717 7.791 1.00 5.22 H new ATOM 0 HG2 LYS A 34 6.497 3.534 9.974 1.00 34.01 H new ATOM 0 HG3 LYS A 34 7.356 2.089 10.471 1.00 34.01 H new ATOM 0 HD2 LYS A 34 8.538 2.190 8.172 1.00 3.24 H new ATOM 0 HD3 LYS A 34 7.870 3.802 8.018 1.00 3.24 H new ATOM 0 HE2 LYS A 34 8.954 4.447 10.167 1.00 33.04 H new ATOM 0 HE3 LYS A 34 9.638 2.839 10.296 1.00 33.04 H new ATOM 0 HZ1 LYS A 34 11.347 3.957 9.325 1.00 61.53 H new ATOM 0 HZ2 LYS A 34 10.554 3.410 7.926 1.00 61.53 H new ATOM 0 HZ3 LYS A 34 10.340 5.010 8.454 1.00 61.53 H new ATOM 545 N ASP A 35 3.221 0.306 8.828 1.00 24.24 N ATOM 546 CA ASP A 35 2.471 -0.788 8.214 1.00 50.52 C ATOM 547 C ASP A 35 1.126 -0.307 7.682 1.00 63.41 C ATOM 548 O ASP A 35 0.627 -0.826 6.683 1.00 40.14 O ATOM 549 CB ASP A 35 2.277 -1.943 9.205 1.00 71.33 C ATOM 550 CG ASP A 35 1.332 -1.607 10.341 1.00 30.50 C ATOM 551 OD1 ASP A 35 1.645 -0.692 11.134 1.00 40.24 O ATOM 552 OD2 ASP A 35 0.276 -2.263 10.448 1.00 73.30 O ATOM 0 H ASP A 35 3.355 0.212 9.835 1.00 24.24 H new ATOM 0 HA ASP A 35 3.055 -1.154 7.370 1.00 50.52 H new ATOM 0 HB2 ASP A 35 1.895 -2.812 8.669 1.00 71.33 H new ATOM 0 HB3 ASP A 35 3.246 -2.224 9.619 1.00 71.33 H new ATOM 557 N GLU A 36 0.547 0.688 8.339 1.00 52.21 N ATOM 558 CA GLU A 36 -0.684 1.301 7.850 1.00 51.22 C ATOM 559 C GLU A 36 -0.394 2.076 6.569 1.00 3.23 C ATOM 560 O GLU A 36 -1.092 1.935 5.569 1.00 21.21 O ATOM 561 CB GLU A 36 -1.280 2.232 8.914 1.00 42.14 C ATOM 562 CG GLU A 36 -2.500 3.018 8.443 1.00 41.11 C ATOM 563 CD GLU A 36 -3.760 2.183 8.330 1.00 23.52 C ATOM 564 OE1 GLU A 36 -3.916 1.467 7.325 1.00 3.23 O ATOM 565 OE2 GLU A 36 -4.617 2.270 9.238 1.00 22.34 O ATOM 0 H GLU A 36 0.905 1.087 9.207 1.00 52.21 H new ATOM 0 HA GLU A 36 -1.411 0.517 7.637 1.00 51.22 H new ATOM 0 HB2 GLU A 36 -1.558 1.639 9.785 1.00 42.14 H new ATOM 0 HB3 GLU A 36 -0.512 2.934 9.238 1.00 42.14 H new ATOM 0 HG2 GLU A 36 -2.681 3.840 9.136 1.00 41.11 H new ATOM 0 HG3 GLU A 36 -2.282 3.462 7.472 1.00 41.11 H new ATOM 572 N ALA A 37 0.668 2.872 6.604 1.00 30.12 N ATOM 573 CA ALA A 37 1.052 3.691 5.462 1.00 35.33 C ATOM 574 C ALA A 37 1.392 2.832 4.243 1.00 51.24 C ATOM 575 O ALA A 37 0.979 3.143 3.124 1.00 4.34 O ATOM 576 CB ALA A 37 2.229 4.578 5.831 1.00 60.21 C ATOM 0 H ALA A 37 1.280 2.967 7.414 1.00 30.12 H new ATOM 0 HA ALA A 37 0.201 4.318 5.195 1.00 35.33 H new ATOM 0 HB1 ALA A 37 2.509 5.187 4.971 1.00 60.21 H new ATOM 0 HB2 ALA A 37 1.949 5.228 6.660 1.00 60.21 H new ATOM 0 HB3 ALA A 37 3.074 3.957 6.127 1.00 60.21 H new ATOM 582 N TYR A 38 2.139 1.752 4.464 1.00 62.23 N ATOM 583 CA TYR A 38 2.500 0.836 3.384 1.00 62.32 C ATOM 584 C TYR A 38 1.259 0.209 2.755 1.00 55.21 C ATOM 585 O TYR A 38 1.170 0.074 1.532 1.00 3.43 O ATOM 586 CB TYR A 38 3.434 -0.268 3.891 1.00 22.34 C ATOM 587 CG TYR A 38 4.852 0.190 4.161 1.00 21.13 C ATOM 588 CD1 TYR A 38 5.558 0.926 3.217 1.00 45.52 C ATOM 589 CD2 TYR A 38 5.489 -0.125 5.356 1.00 70.52 C ATOM 590 CE1 TYR A 38 6.857 1.333 3.455 1.00 62.21 C ATOM 591 CE2 TYR A 38 6.789 0.277 5.600 1.00 34.52 C ATOM 592 CZ TYR A 38 7.468 1.005 4.648 1.00 1.10 C ATOM 593 OH TYR A 38 8.763 1.403 4.888 1.00 4.42 O ATOM 0 H TYR A 38 2.505 1.490 5.379 1.00 62.23 H new ATOM 0 HA TYR A 38 3.021 1.419 2.624 1.00 62.32 H new ATOM 0 HB2 TYR A 38 3.019 -0.686 4.808 1.00 22.34 H new ATOM 0 HB3 TYR A 38 3.458 -1.073 3.156 1.00 22.34 H new ATOM 0 HD1 TYR A 38 5.084 1.184 2.282 1.00 45.52 H new ATOM 0 HD2 TYR A 38 4.959 -0.693 6.106 1.00 70.52 H new ATOM 0 HE1 TYR A 38 7.391 1.905 2.711 1.00 62.21 H new ATOM 0 HE2 TYR A 38 7.270 0.021 6.533 1.00 34.52 H new ATOM 0 HH TYR A 38 9.042 1.091 5.774 1.00 4.42 H new ATOM 603 N TYR A 39 0.303 -0.167 3.596 1.00 61.32 N ATOM 604 CA TYR A 39 -0.944 -0.756 3.122 1.00 34.54 C ATOM 605 C TYR A 39 -1.747 0.273 2.330 1.00 11.24 C ATOM 606 O TYR A 39 -2.308 -0.039 1.276 1.00 63.33 O ATOM 607 CB TYR A 39 -1.767 -1.285 4.302 1.00 21.21 C ATOM 608 CG TYR A 39 -3.068 -1.947 3.896 1.00 20.12 C ATOM 609 CD1 TYR A 39 -3.073 -3.168 3.231 1.00 1.03 C ATOM 610 CD2 TYR A 39 -4.290 -1.356 4.188 1.00 5.13 C ATOM 611 CE1 TYR A 39 -4.260 -3.779 2.869 1.00 14.55 C ATOM 612 CE2 TYR A 39 -5.479 -1.959 3.828 1.00 3.04 C ATOM 613 CZ TYR A 39 -5.461 -3.171 3.168 1.00 64.33 C ATOM 614 OH TYR A 39 -6.646 -3.780 2.812 1.00 32.20 O ATOM 0 H TYR A 39 0.367 -0.075 4.610 1.00 61.32 H new ATOM 0 HA TYR A 39 -0.707 -1.592 2.464 1.00 34.54 H new ATOM 0 HB2 TYR A 39 -1.165 -2.002 4.860 1.00 21.21 H new ATOM 0 HB3 TYR A 39 -1.987 -0.459 4.978 1.00 21.21 H new ATOM 0 HD1 TYR A 39 -2.135 -3.647 2.993 1.00 1.03 H new ATOM 0 HD2 TYR A 39 -4.311 -0.408 4.706 1.00 5.13 H new ATOM 0 HE1 TYR A 39 -4.246 -4.728 2.354 1.00 14.55 H new ATOM 0 HE2 TYR A 39 -6.420 -1.484 4.062 1.00 3.04 H new ATOM 0 HH TYR A 39 -7.399 -3.221 3.096 1.00 32.20 H new ATOM 624 N LEU A 40 -1.786 1.502 2.839 1.00 23.51 N ATOM 625 CA LEU A 40 -2.484 2.592 2.166 1.00 0.43 C ATOM 626 C LEU A 40 -1.872 2.863 0.797 1.00 34.25 C ATOM 627 O LEU A 40 -2.594 3.061 -0.182 1.00 42.12 O ATOM 628 CB LEU A 40 -2.453 3.863 3.016 1.00 2.05 C ATOM 629 CG LEU A 40 -3.187 3.763 4.353 1.00 22.32 C ATOM 630 CD1 LEU A 40 -3.149 5.095 5.088 1.00 51.02 C ATOM 631 CD2 LEU A 40 -4.621 3.306 4.132 1.00 2.42 C ATOM 0 H LEU A 40 -1.341 1.767 3.718 1.00 23.51 H new ATOM 0 HA LEU A 40 -3.522 2.290 2.029 1.00 0.43 H new ATOM 0 HB2 LEU A 40 -1.413 4.128 3.208 1.00 2.05 H new ATOM 0 HB3 LEU A 40 -2.889 4.679 2.439 1.00 2.05 H new ATOM 0 HG LEU A 40 -2.681 3.023 4.974 1.00 22.32 H new ATOM 0 HD11 LEU A 40 -3.677 5.002 6.037 1.00 51.02 H new ATOM 0 HD12 LEU A 40 -2.113 5.378 5.275 1.00 51.02 H new ATOM 0 HD13 LEU A 40 -3.630 5.861 4.479 1.00 51.02 H new ATOM 0 HD21 LEU A 40 -5.133 3.239 5.092 1.00 2.42 H new ATOM 0 HD22 LEU A 40 -5.137 4.024 3.495 1.00 2.42 H new ATOM 0 HD23 LEU A 40 -4.621 2.328 3.651 1.00 2.42 H new ATOM 643 N MET A 41 -0.540 2.869 0.732 1.00 3.12 N ATOM 644 CA MET A 41 0.160 3.024 -0.538 1.00 10.25 C ATOM 645 C MET A 41 -0.312 1.972 -1.528 1.00 2.35 C ATOM 646 O MET A 41 -0.668 2.291 -2.660 1.00 13.21 O ATOM 647 CB MET A 41 1.671 2.891 -0.365 1.00 74.30 C ATOM 648 CG MET A 41 2.355 4.087 0.266 1.00 34.11 C ATOM 649 SD MET A 41 4.147 3.979 0.130 1.00 22.34 S ATOM 650 CE MET A 41 4.648 5.472 0.966 1.00 70.42 C ATOM 0 H MET A 41 0.071 2.769 1.542 1.00 3.12 H new ATOM 0 HA MET A 41 -0.065 4.022 -0.913 1.00 10.25 H new ATOM 0 HB2 MET A 41 1.875 2.012 0.246 1.00 74.30 H new ATOM 0 HB3 MET A 41 2.118 2.711 -1.343 1.00 74.30 H new ATOM 0 HG2 MET A 41 2.008 5.001 -0.216 1.00 34.11 H new ATOM 0 HG3 MET A 41 2.073 4.155 1.317 1.00 34.11 H new ATOM 0 HE1 MET A 41 5.732 5.571 0.916 1.00 70.42 H new ATOM 0 HE2 MET A 41 4.183 6.332 0.485 1.00 70.42 H new ATOM 0 HE3 MET A 41 4.336 5.427 2.009 1.00 70.42 H new ATOM 660 N GLY A 42 -0.330 0.719 -1.081 1.00 1.03 N ATOM 661 CA GLY A 42 -0.778 -0.372 -1.923 1.00 45.32 C ATOM 662 C GLY A 42 -2.164 -0.133 -2.489 1.00 42.25 C ATOM 663 O GLY A 42 -2.401 -0.369 -3.671 1.00 13.11 O ATOM 0 H GLY A 42 -0.040 0.441 -0.144 1.00 1.03 H new ATOM 0 HA2 GLY A 42 -0.072 -0.508 -2.742 1.00 45.32 H new ATOM 0 HA3 GLY A 42 -0.779 -1.297 -1.346 1.00 45.32 H new ATOM 667 N ASN A 43 -3.072 0.356 -1.650 1.00 3.14 N ATOM 668 CA ASN A 43 -4.439 0.644 -2.081 1.00 33.45 C ATOM 669 C ASN A 43 -4.455 1.737 -3.143 1.00 55.21 C ATOM 670 O ASN A 43 -5.231 1.680 -4.099 1.00 32.24 O ATOM 671 CB ASN A 43 -5.309 1.074 -0.896 1.00 42.22 C ATOM 672 CG ASN A 43 -5.508 -0.032 0.123 1.00 21.15 C ATOM 673 OD1 ASN A 43 -5.442 -1.217 -0.207 1.00 63.43 O ATOM 674 ND2 ASN A 43 -5.772 0.348 1.363 1.00 20.44 N ATOM 0 H ASN A 43 -2.888 0.562 -0.668 1.00 3.14 H new ATOM 0 HA ASN A 43 -4.847 -0.273 -2.506 1.00 33.45 H new ATOM 0 HB2 ASN A 43 -4.849 1.933 -0.407 1.00 42.22 H new ATOM 0 HB3 ASN A 43 -6.281 1.400 -1.265 1.00 42.22 H new ATOM 0 HD21 ASN A 43 -5.930 -0.352 2.088 1.00 20.44 H new ATOM 0 HD22 ASN A 43 -5.817 1.341 1.593 1.00 20.44 H new ATOM 681 N ALA A 44 -3.596 2.733 -2.967 1.00 41.30 N ATOM 682 CA ALA A 44 -3.498 3.838 -3.911 1.00 33.13 C ATOM 683 C ALA A 44 -2.917 3.369 -5.244 1.00 54.04 C ATOM 684 O ALA A 44 -3.417 3.724 -6.314 1.00 3.42 O ATOM 685 CB ALA A 44 -2.651 4.958 -3.320 1.00 41.22 C ATOM 0 H ALA A 44 -2.955 2.798 -2.176 1.00 41.30 H new ATOM 0 HA ALA A 44 -4.501 4.220 -4.100 1.00 33.13 H new ATOM 0 HB1 ALA A 44 -2.584 5.779 -4.034 1.00 41.22 H new ATOM 0 HB2 ALA A 44 -3.111 5.315 -2.399 1.00 41.22 H new ATOM 0 HB3 ALA A 44 -1.651 4.583 -3.104 1.00 41.22 H new ATOM 691 N TYR A 45 -1.867 2.556 -5.173 1.00 64.21 N ATOM 692 CA TYR A 45 -1.234 2.018 -6.373 1.00 43.11 C ATOM 693 C TYR A 45 -2.155 1.024 -7.074 1.00 23.03 C ATOM 694 O TYR A 45 -2.097 0.868 -8.293 1.00 13.23 O ATOM 695 CB TYR A 45 0.106 1.356 -6.032 1.00 5.22 C ATOM 696 CG TYR A 45 1.182 2.334 -5.611 1.00 20.51 C ATOM 697 CD1 TYR A 45 1.628 3.317 -6.484 1.00 42.35 C ATOM 698 CD2 TYR A 45 1.751 2.276 -4.346 1.00 42.03 C ATOM 699 CE1 TYR A 45 2.610 4.213 -6.109 1.00 23.25 C ATOM 700 CE2 TYR A 45 2.735 3.169 -3.961 1.00 62.45 C ATOM 701 CZ TYR A 45 3.159 4.135 -4.847 1.00 74.15 C ATOM 702 OH TYR A 45 4.141 5.021 -4.467 1.00 54.42 O ATOM 0 H TYR A 45 -1.437 2.256 -4.298 1.00 64.21 H new ATOM 0 HA TYR A 45 -1.044 2.849 -7.053 1.00 43.11 H new ATOM 0 HB2 TYR A 45 -0.050 0.634 -5.230 1.00 5.22 H new ATOM 0 HB3 TYR A 45 0.456 0.797 -6.900 1.00 5.22 H new ATOM 0 HD1 TYR A 45 1.200 3.382 -7.473 1.00 42.35 H new ATOM 0 HD2 TYR A 45 1.419 1.520 -3.650 1.00 42.03 H new ATOM 0 HE1 TYR A 45 2.946 4.971 -6.801 1.00 23.25 H new ATOM 0 HE2 TYR A 45 3.168 3.109 -2.973 1.00 62.45 H new ATOM 0 HH TYR A 45 4.417 4.828 -3.547 1.00 54.42 H new ATOM 712 N ARG A 46 -3.008 0.363 -6.299 1.00 62.41 N ATOM 713 CA ARG A 46 -3.992 -0.560 -6.856 1.00 4.34 C ATOM 714 C ARG A 46 -4.985 0.217 -7.721 1.00 71.43 C ATOM 715 O ARG A 46 -5.382 -0.244 -8.794 1.00 74.23 O ATOM 716 CB ARG A 46 -4.716 -1.301 -5.722 1.00 52.03 C ATOM 717 CG ARG A 46 -5.214 -2.694 -6.096 1.00 74.10 C ATOM 718 CD ARG A 46 -6.353 -2.648 -7.100 1.00 40.33 C ATOM 719 NE ARG A 46 -7.534 -1.987 -6.553 1.00 44.22 N ATOM 720 CZ ARG A 46 -8.516 -1.475 -7.290 1.00 63.32 C ATOM 721 NH1 ARG A 46 -8.447 -1.495 -8.618 1.00 32.42 N ATOM 722 NH2 ARG A 46 -9.560 -0.920 -6.697 1.00 73.52 N ATOM 0 H ARG A 46 -3.038 0.449 -5.283 1.00 62.41 H new ATOM 0 HA ARG A 46 -3.490 -1.300 -7.479 1.00 4.34 H new ATOM 0 HB2 ARG A 46 -4.040 -1.386 -4.871 1.00 52.03 H new ATOM 0 HB3 ARG A 46 -5.565 -0.700 -5.396 1.00 52.03 H new ATOM 0 HG2 ARG A 46 -4.389 -3.273 -6.512 1.00 74.10 H new ATOM 0 HG3 ARG A 46 -5.546 -3.213 -5.197 1.00 74.10 H new ATOM 0 HD2 ARG A 46 -6.025 -2.122 -7.997 1.00 40.33 H new ATOM 0 HD3 ARG A 46 -6.612 -3.663 -7.402 1.00 40.33 H new ATOM 0 HE ARG A 46 -7.611 -1.913 -5.539 1.00 44.22 H new ATOM 0 HH11 ARG A 46 -7.636 -1.906 -9.080 1.00 32.42 H new ATOM 0 HH12 ARG A 46 -9.205 -1.100 -9.174 1.00 32.42 H new ATOM 0 HH21 ARG A 46 -9.610 -0.886 -5.679 1.00 73.52 H new ATOM 0 HH22 ARG A 46 -10.315 -0.526 -7.258 1.00 73.52 H new ATOM 736 N LYS A 47 -5.372 1.403 -7.252 1.00 75.42 N ATOM 737 CA LYS A 47 -6.230 2.293 -8.031 1.00 64.15 C ATOM 738 C LYS A 47 -5.541 2.707 -9.328 1.00 44.14 C ATOM 739 O LYS A 47 -6.161 2.731 -10.393 1.00 13.23 O ATOM 740 CB LYS A 47 -6.604 3.543 -7.231 1.00 75.54 C ATOM 741 CG LYS A 47 -7.840 3.384 -6.362 1.00 71.32 C ATOM 742 CD LYS A 47 -8.184 4.692 -5.668 1.00 3.52 C ATOM 743 CE LYS A 47 -9.624 4.720 -5.178 1.00 52.41 C ATOM 744 NZ LYS A 47 -9.910 3.662 -4.176 1.00 22.04 N ATOM 0 H LYS A 47 -5.105 1.769 -6.338 1.00 75.42 H new ATOM 0 HA LYS A 47 -7.141 1.744 -8.267 1.00 64.15 H new ATOM 0 HB2 LYS A 47 -5.762 3.819 -6.597 1.00 75.54 H new ATOM 0 HB3 LYS A 47 -6.766 4.369 -7.924 1.00 75.54 H new ATOM 0 HG2 LYS A 47 -8.681 3.060 -6.974 1.00 71.32 H new ATOM 0 HG3 LYS A 47 -7.669 2.606 -5.618 1.00 71.32 H new ATOM 0 HD2 LYS A 47 -7.511 4.841 -4.823 1.00 3.52 H new ATOM 0 HD3 LYS A 47 -8.020 5.521 -6.356 1.00 3.52 H new ATOM 0 HE2 LYS A 47 -9.835 5.696 -4.740 1.00 52.41 H new ATOM 0 HE3 LYS A 47 -10.295 4.600 -6.028 1.00 52.41 H new ATOM 0 HZ1 LYS A 47 -10.904 3.727 -3.877 1.00 22.04 H new ATOM 0 HZ2 LYS A 47 -9.736 2.728 -4.598 1.00 22.04 H new ATOM 0 HZ3 LYS A 47 -9.291 3.789 -3.350 1.00 22.04 H new ATOM 758 N LEU A 48 -4.256 3.031 -9.229 1.00 55.10 N ATOM 759 CA LEU A 48 -3.466 3.407 -10.398 1.00 24.33 C ATOM 760 C LEU A 48 -3.391 2.253 -11.388 1.00 13.15 C ATOM 761 O LEU A 48 -3.611 2.432 -12.585 1.00 71.33 O ATOM 762 CB LEU A 48 -2.056 3.831 -9.978 1.00 52.11 C ATOM 763 CG LEU A 48 -1.989 5.072 -9.088 1.00 54.51 C ATOM 764 CD1 LEU A 48 -0.548 5.373 -8.715 1.00 42.03 C ATOM 765 CD2 LEU A 48 -2.614 6.268 -9.792 1.00 4.31 C ATOM 0 H LEU A 48 -3.738 3.041 -8.350 1.00 55.10 H new ATOM 0 HA LEU A 48 -3.956 4.251 -10.883 1.00 24.33 H new ATOM 0 HB2 LEU A 48 -1.585 3.000 -9.452 1.00 52.11 H new ATOM 0 HB3 LEU A 48 -1.466 4.015 -10.876 1.00 52.11 H new ATOM 0 HG LEU A 48 -2.553 4.876 -8.176 1.00 54.51 H new ATOM 0 HD11 LEU A 48 -0.514 6.259 -8.081 1.00 42.03 H new ATOM 0 HD12 LEU A 48 -0.127 4.524 -8.176 1.00 42.03 H new ATOM 0 HD13 LEU A 48 0.032 5.552 -9.620 1.00 42.03 H new ATOM 0 HD21 LEU A 48 -2.557 7.142 -9.144 1.00 4.31 H new ATOM 0 HD22 LEU A 48 -2.075 6.468 -10.718 1.00 4.31 H new ATOM 0 HD23 LEU A 48 -3.658 6.052 -10.019 1.00 4.31 H new ATOM 777 N GLY A 49 -3.100 1.069 -10.880 1.00 54.31 N ATOM 778 CA GLY A 49 -3.021 -0.098 -11.728 1.00 15.51 C ATOM 779 C GLY A 49 -1.632 -0.696 -11.747 1.00 31.23 C ATOM 780 O GLY A 49 -1.399 -1.727 -12.381 1.00 1.31 O ATOM 0 H GLY A 49 -2.916 0.894 -9.892 1.00 54.31 H new ATOM 0 HA2 GLY A 49 -3.733 -0.847 -11.380 1.00 15.51 H new ATOM 0 HA3 GLY A 49 -3.313 0.172 -12.743 1.00 15.51 H new ATOM 784 N ASP A 50 -0.703 -0.048 -11.056 1.00 41.23 N ATOM 785 CA ASP A 50 0.665 -0.544 -10.974 1.00 40.44 C ATOM 786 C ASP A 50 0.750 -1.625 -9.908 1.00 21.32 C ATOM 787 O ASP A 50 0.832 -1.334 -8.712 1.00 33.11 O ATOM 788 CB ASP A 50 1.647 0.584 -10.651 1.00 4.14 C ATOM 789 CG ASP A 50 3.098 0.170 -10.845 1.00 45.22 C ATOM 790 OD1 ASP A 50 3.513 -0.868 -10.288 1.00 31.34 O ATOM 791 OD2 ASP A 50 3.832 0.885 -11.560 1.00 64.50 O ATOM 0 H ASP A 50 -0.871 0.819 -10.546 1.00 41.23 H new ATOM 0 HA ASP A 50 0.938 -0.960 -11.944 1.00 40.44 H new ATOM 0 HB2 ASP A 50 1.430 1.443 -11.286 1.00 4.14 H new ATOM 0 HB3 ASP A 50 1.499 0.905 -9.620 1.00 4.14 H new ATOM 796 N TRP A 51 0.705 -2.869 -10.348 1.00 45.41 N ATOM 797 CA TRP A 51 0.712 -4.002 -9.436 1.00 72.44 C ATOM 798 C TRP A 51 2.072 -4.166 -8.769 1.00 23.41 C ATOM 799 O TRP A 51 2.162 -4.654 -7.647 1.00 61.20 O ATOM 800 CB TRP A 51 0.338 -5.281 -10.183 1.00 43.31 C ATOM 801 CG TRP A 51 -0.980 -5.196 -10.893 1.00 22.31 C ATOM 802 CD1 TRP A 51 -1.179 -5.177 -12.242 1.00 71.04 C ATOM 803 CD2 TRP A 51 -2.277 -5.111 -10.294 1.00 43.44 C ATOM 804 NE1 TRP A 51 -2.521 -5.097 -12.520 1.00 10.32 N ATOM 805 CE2 TRP A 51 -3.217 -5.053 -11.339 1.00 62.30 C ATOM 806 CE3 TRP A 51 -2.733 -5.081 -8.975 1.00 40.44 C ATOM 807 CZ2 TRP A 51 -4.589 -4.968 -11.103 1.00 45.42 C ATOM 808 CZ3 TRP A 51 -4.092 -4.996 -8.741 1.00 21.44 C ATOM 809 CH2 TRP A 51 -5.007 -4.942 -9.801 1.00 53.32 C ATOM 0 H TRP A 51 0.663 -3.123 -11.335 1.00 45.41 H new ATOM 0 HA TRP A 51 -0.026 -3.811 -8.657 1.00 72.44 H new ATOM 0 HB2 TRP A 51 1.118 -5.510 -10.909 1.00 43.31 H new ATOM 0 HB3 TRP A 51 0.308 -6.110 -9.476 1.00 43.31 H new ATOM 0 HD1 TRP A 51 -0.395 -5.219 -12.984 1.00 71.04 H new ATOM 0 HE1 TRP A 51 -2.933 -5.074 -13.453 1.00 10.32 H new ATOM 0 HE3 TRP A 51 -2.035 -5.124 -8.152 1.00 40.44 H new ATOM 0 HZ2 TRP A 51 -5.296 -4.924 -11.919 1.00 45.42 H new ATOM 0 HZ3 TRP A 51 -4.455 -4.971 -7.724 1.00 21.44 H new ATOM 0 HH2 TRP A 51 -6.063 -4.879 -9.586 1.00 53.32 H new ATOM 820 N GLN A 52 3.124 -3.738 -9.454 1.00 34.11 N ATOM 821 CA GLN A 52 4.477 -3.870 -8.931 1.00 22.20 C ATOM 822 C GLN A 52 4.664 -2.976 -7.714 1.00 23.42 C ATOM 823 O GLN A 52 5.193 -3.407 -6.687 1.00 14.21 O ATOM 824 CB GLN A 52 5.518 -3.537 -10.007 1.00 72.21 C ATOM 825 CG GLN A 52 5.780 -4.664 -11.005 1.00 20.33 C ATOM 826 CD GLN A 52 4.541 -5.103 -11.765 1.00 63.34 C ATOM 827 OE1 GLN A 52 4.211 -4.547 -12.810 1.00 23.00 O ATOM 828 NE2 GLN A 52 3.862 -6.123 -11.263 1.00 3.51 N ATOM 0 H GLN A 52 3.067 -3.297 -10.372 1.00 34.11 H new ATOM 0 HA GLN A 52 4.624 -4.907 -8.629 1.00 22.20 H new ATOM 0 HB2 GLN A 52 5.187 -2.654 -10.554 1.00 72.21 H new ATOM 0 HB3 GLN A 52 6.457 -3.276 -9.518 1.00 72.21 H new ATOM 0 HG2 GLN A 52 6.537 -4.338 -11.718 1.00 20.33 H new ATOM 0 HG3 GLN A 52 6.192 -5.521 -10.472 1.00 20.33 H new ATOM 0 HE21 GLN A 52 4.166 -6.559 -10.393 1.00 3.51 H new ATOM 0 HE22 GLN A 52 3.035 -6.472 -11.747 1.00 3.51 H new ATOM 837 N LYS A 53 4.210 -1.735 -7.829 1.00 65.15 N ATOM 838 CA LYS A 53 4.240 -0.806 -6.708 1.00 61.52 C ATOM 839 C LYS A 53 3.366 -1.322 -5.572 1.00 11.41 C ATOM 840 O LYS A 53 3.750 -1.264 -4.404 1.00 15.43 O ATOM 841 CB LYS A 53 3.757 0.577 -7.140 1.00 20.10 C ATOM 842 CG LYS A 53 4.702 1.310 -8.079 1.00 43.20 C ATOM 843 CD LYS A 53 5.965 1.775 -7.367 1.00 62.50 C ATOM 844 CE LYS A 53 6.877 2.559 -8.299 1.00 3.32 C ATOM 845 NZ LYS A 53 6.224 3.796 -8.806 1.00 31.54 N ATOM 0 H LYS A 53 3.817 -1.349 -8.687 1.00 65.15 H new ATOM 0 HA LYS A 53 5.270 -0.726 -6.361 1.00 61.52 H new ATOM 0 HB2 LYS A 53 2.788 0.473 -7.628 1.00 20.10 H new ATOM 0 HB3 LYS A 53 3.602 1.188 -6.251 1.00 20.10 H new ATOM 0 HG2 LYS A 53 4.973 0.654 -8.906 1.00 43.20 H new ATOM 0 HG3 LYS A 53 4.190 2.171 -8.509 1.00 43.20 H new ATOM 0 HD2 LYS A 53 5.694 2.397 -6.514 1.00 62.50 H new ATOM 0 HD3 LYS A 53 6.501 0.911 -6.974 1.00 62.50 H new ATOM 0 HE2 LYS A 53 7.794 2.823 -7.772 1.00 3.32 H new ATOM 0 HE3 LYS A 53 7.163 1.929 -9.141 1.00 3.32 H new ATOM 0 HZ1 LYS A 53 6.943 4.423 -9.221 1.00 31.54 H new ATOM 0 HZ2 LYS A 53 5.522 3.546 -9.531 1.00 31.54 H new ATOM 0 HZ3 LYS A 53 5.750 4.286 -8.020 1.00 31.54 H new ATOM 859 N ALA A 54 2.194 -1.839 -5.927 1.00 40.33 N ATOM 860 CA ALA A 54 1.259 -2.367 -4.943 1.00 71.13 C ATOM 861 C ALA A 54 1.875 -3.526 -4.163 1.00 0.33 C ATOM 862 O ALA A 54 1.894 -3.509 -2.933 1.00 73.34 O ATOM 863 CB ALA A 54 -0.028 -2.810 -5.622 1.00 53.42 C ATOM 0 H ALA A 54 1.870 -1.903 -6.892 1.00 40.33 H new ATOM 0 HA ALA A 54 1.028 -1.571 -4.235 1.00 71.13 H new ATOM 0 HB1 ALA A 54 -0.717 -3.202 -4.874 1.00 53.42 H new ATOM 0 HB2 ALA A 54 -0.485 -1.958 -6.126 1.00 53.42 H new ATOM 0 HB3 ALA A 54 0.195 -3.587 -6.353 1.00 53.42 H new ATOM 869 N LEU A 55 2.397 -4.515 -4.888 1.00 25.42 N ATOM 870 CA LEU A 55 2.993 -5.702 -4.276 1.00 73.31 C ATOM 871 C LEU A 55 4.079 -5.339 -3.273 1.00 62.24 C ATOM 872 O LEU A 55 4.056 -5.803 -2.132 1.00 12.45 O ATOM 873 CB LEU A 55 3.587 -6.620 -5.344 1.00 1.42 C ATOM 874 CG LEU A 55 2.571 -7.343 -6.223 1.00 54.43 C ATOM 875 CD1 LEU A 55 3.283 -8.169 -7.280 1.00 62.30 C ATOM 876 CD2 LEU A 55 1.671 -8.227 -5.374 1.00 10.44 C ATOM 0 H LEU A 55 2.419 -4.517 -5.908 1.00 25.42 H new ATOM 0 HA LEU A 55 2.193 -6.220 -3.748 1.00 73.31 H new ATOM 0 HB2 LEU A 55 4.241 -6.028 -5.985 1.00 1.42 H new ATOM 0 HB3 LEU A 55 4.212 -7.365 -4.852 1.00 1.42 H new ATOM 0 HG LEU A 55 1.951 -6.599 -6.724 1.00 54.43 H new ATOM 0 HD11 LEU A 55 2.546 -8.680 -7.900 1.00 62.30 H new ATOM 0 HD12 LEU A 55 3.892 -7.515 -7.904 1.00 62.30 H new ATOM 0 HD13 LEU A 55 3.923 -8.906 -6.795 1.00 62.30 H new ATOM 0 HD21 LEU A 55 0.951 -8.736 -6.015 1.00 10.44 H new ATOM 0 HD22 LEU A 55 2.277 -8.966 -4.850 1.00 10.44 H new ATOM 0 HD23 LEU A 55 1.139 -7.613 -4.647 1.00 10.44 H new ATOM 888 N ASN A 56 5.021 -4.510 -3.703 1.00 10.40 N ATOM 889 CA ASN A 56 6.142 -4.121 -2.855 1.00 0.12 C ATOM 890 C ASN A 56 5.665 -3.451 -1.577 1.00 72.40 C ATOM 891 O ASN A 56 6.156 -3.754 -0.489 1.00 44.45 O ATOM 892 CB ASN A 56 7.103 -3.189 -3.602 1.00 41.44 C ATOM 893 CG ASN A 56 8.071 -3.947 -4.492 1.00 24.04 C ATOM 894 OD1 ASN A 56 9.140 -4.367 -4.046 1.00 12.23 O ATOM 895 ND2 ASN A 56 7.714 -4.119 -5.756 1.00 52.12 N ATOM 0 H ASN A 56 5.032 -4.093 -4.634 1.00 10.40 H new ATOM 0 HA ASN A 56 6.674 -5.034 -2.589 1.00 0.12 H new ATOM 0 HB2 ASN A 56 6.528 -2.489 -4.209 1.00 41.44 H new ATOM 0 HB3 ASN A 56 7.665 -2.597 -2.880 1.00 41.44 H new ATOM 0 HD21 ASN A 56 8.333 -4.614 -6.398 1.00 52.12 H new ATOM 0 HD22 ASN A 56 6.820 -3.756 -6.087 1.00 52.12 H new ATOM 902 N ASN A 57 4.692 -2.559 -1.697 1.00 10.40 N ATOM 903 CA ASN A 57 4.200 -1.825 -0.539 1.00 13.44 C ATOM 904 C ASN A 57 3.344 -2.708 0.356 1.00 42.20 C ATOM 905 O ASN A 57 3.438 -2.626 1.580 1.00 30.22 O ATOM 906 CB ASN A 57 3.431 -0.576 -0.961 1.00 50.23 C ATOM 907 CG ASN A 57 4.370 0.531 -1.395 1.00 4.41 C ATOM 908 OD1 ASN A 57 4.895 1.266 -0.566 1.00 31.30 O ATOM 909 ND2 ASN A 57 4.591 0.659 -2.693 1.00 32.33 N ATOM 0 H ASN A 57 4.231 -2.327 -2.577 1.00 10.40 H new ATOM 0 HA ASN A 57 5.069 -1.508 0.037 1.00 13.44 H new ATOM 0 HB2 ASN A 57 2.754 -0.823 -1.779 1.00 50.23 H new ATOM 0 HB3 ASN A 57 2.815 -0.228 -0.132 1.00 50.23 H new ATOM 0 HD21 ASN A 57 5.217 1.389 -3.034 1.00 32.33 H new ATOM 0 HD22 ASN A 57 4.136 0.028 -3.353 1.00 32.33 H new ATOM 916 N TYR A 58 2.523 -3.560 -0.250 1.00 65.23 N ATOM 917 CA TYR A 58 1.762 -4.538 0.516 1.00 33.10 C ATOM 918 C TYR A 58 2.712 -5.422 1.315 1.00 63.44 C ATOM 919 O TYR A 58 2.499 -5.671 2.500 1.00 73.21 O ATOM 920 CB TYR A 58 0.888 -5.410 -0.396 1.00 4.22 C ATOM 921 CG TYR A 58 -0.400 -4.754 -0.855 1.00 3.31 C ATOM 922 CD1 TYR A 58 -1.183 -4.024 0.030 1.00 15.13 C ATOM 923 CD2 TYR A 58 -0.844 -4.884 -2.166 1.00 12.55 C ATOM 924 CE1 TYR A 58 -2.368 -3.442 -0.378 1.00 25.44 C ATOM 925 CE2 TYR A 58 -2.026 -4.301 -2.582 1.00 61.43 C ATOM 926 CZ TYR A 58 -2.785 -3.583 -1.684 1.00 74.20 C ATOM 927 OH TYR A 58 -3.966 -3.008 -2.090 1.00 32.31 O ATOM 0 H TYR A 58 2.369 -3.593 -1.258 1.00 65.23 H new ATOM 0 HA TYR A 58 1.105 -3.994 1.195 1.00 33.10 H new ATOM 0 HB2 TYR A 58 1.470 -5.691 -1.274 1.00 4.22 H new ATOM 0 HB3 TYR A 58 0.642 -6.332 0.132 1.00 4.22 H new ATOM 0 HD1 TYR A 58 -0.860 -3.909 1.054 1.00 15.13 H new ATOM 0 HD2 TYR A 58 -0.255 -5.451 -2.872 1.00 12.55 H new ATOM 0 HE1 TYR A 58 -2.965 -2.879 0.324 1.00 25.44 H new ATOM 0 HE2 TYR A 58 -2.353 -4.408 -3.606 1.00 61.43 H new ATOM 0 HH TYR A 58 -4.326 -2.454 -1.366 1.00 32.31 H new ATOM 937 N GLN A 59 3.779 -5.870 0.666 1.00 12.42 N ATOM 938 CA GLN A 59 4.758 -6.730 1.310 1.00 33.34 C ATOM 939 C GLN A 59 5.510 -5.959 2.400 1.00 64.45 C ATOM 940 O GLN A 59 5.816 -6.510 3.455 1.00 3.13 O ATOM 941 CB GLN A 59 5.725 -7.300 0.261 1.00 73.21 C ATOM 942 CG GLN A 59 6.452 -8.559 0.714 1.00 1.15 C ATOM 943 CD GLN A 59 7.577 -8.280 1.689 1.00 12.33 C ATOM 944 OE1 GLN A 59 8.254 -7.254 1.603 1.00 32.53 O ATOM 945 NE2 GLN A 59 7.764 -9.179 2.640 1.00 4.11 N ATOM 0 H GLN A 59 3.987 -5.650 -0.308 1.00 12.42 H new ATOM 0 HA GLN A 59 4.243 -7.564 1.788 1.00 33.34 H new ATOM 0 HB2 GLN A 59 5.169 -7.521 -0.650 1.00 73.21 H new ATOM 0 HB3 GLN A 59 6.462 -6.538 0.008 1.00 73.21 H new ATOM 0 HG2 GLN A 59 5.736 -9.237 1.179 1.00 1.15 H new ATOM 0 HG3 GLN A 59 6.855 -9.072 -0.159 1.00 1.15 H new ATOM 0 HE21 GLN A 59 7.180 -10.015 2.674 1.00 4.11 H new ATOM 0 HE22 GLN A 59 8.492 -9.037 3.340 1.00 4.11 H new ATOM 954 N SER A 60 5.774 -4.677 2.151 1.00 63.43 N ATOM 955 CA SER A 60 6.465 -3.830 3.124 1.00 4.44 C ATOM 956 C SER A 60 5.681 -3.760 4.439 1.00 34.15 C ATOM 957 O SER A 60 6.265 -3.649 5.519 1.00 4.04 O ATOM 958 CB SER A 60 6.684 -2.422 2.554 1.00 53.12 C ATOM 959 OG SER A 60 7.497 -2.458 1.389 1.00 51.44 O ATOM 0 H SER A 60 5.520 -4.202 1.285 1.00 63.43 H new ATOM 0 HA SER A 60 7.438 -4.275 3.330 1.00 4.44 H new ATOM 0 HB2 SER A 60 5.721 -1.970 2.315 1.00 53.12 H new ATOM 0 HB3 SER A 60 7.153 -1.791 3.308 1.00 53.12 H new ATOM 0 HG SER A 60 6.954 -2.729 0.619 1.00 51.44 H new ATOM 965 N ALA A 61 4.358 -3.841 4.341 1.00 63.32 N ATOM 966 CA ALA A 61 3.507 -3.877 5.523 1.00 63.10 C ATOM 967 C ALA A 61 3.607 -5.236 6.213 1.00 20.54 C ATOM 968 O ALA A 61 3.661 -5.321 7.442 1.00 13.44 O ATOM 969 CB ALA A 61 2.063 -3.575 5.148 1.00 60.53 C ATOM 0 H ALA A 61 3.853 -3.883 3.456 1.00 63.32 H new ATOM 0 HA ALA A 61 3.850 -3.111 6.219 1.00 63.10 H new ATOM 0 HB1 ALA A 61 1.441 -3.606 6.042 1.00 60.53 H new ATOM 0 HB2 ALA A 61 2.003 -2.584 4.699 1.00 60.53 H new ATOM 0 HB3 ALA A 61 1.709 -4.319 4.434 1.00 60.53 H new ATOM 975 N ILE A 62 3.655 -6.291 5.405 1.00 41.00 N ATOM 976 CA ILE A 62 3.756 -7.660 5.910 1.00 70.54 C ATOM 977 C ILE A 62 5.063 -7.862 6.674 1.00 72.15 C ATOM 978 O ILE A 62 5.117 -8.606 7.656 1.00 0.23 O ATOM 979 CB ILE A 62 3.682 -8.690 4.758 1.00 33.12 C ATOM 980 CG1 ILE A 62 2.440 -8.441 3.898 1.00 54.20 C ATOM 981 CG2 ILE A 62 3.666 -10.105 5.317 1.00 44.51 C ATOM 982 CD1 ILE A 62 2.358 -9.325 2.671 1.00 44.13 C ATOM 0 H ILE A 62 3.625 -6.224 4.388 1.00 41.00 H new ATOM 0 HA ILE A 62 2.913 -7.817 6.583 1.00 70.54 H new ATOM 0 HB ILE A 62 4.565 -8.574 4.130 1.00 33.12 H new ATOM 0 HG12 ILE A 62 1.550 -8.598 4.508 1.00 54.20 H new ATOM 0 HG13 ILE A 62 2.431 -7.397 3.584 1.00 54.20 H new ATOM 0 HG21 ILE A 62 3.614 -10.820 4.496 1.00 44.51 H new ATOM 0 HG22 ILE A 62 4.575 -10.279 5.893 1.00 44.51 H new ATOM 0 HG23 ILE A 62 2.798 -10.231 5.964 1.00 44.51 H new ATOM 0 HD11 ILE A 62 1.452 -9.090 2.113 1.00 44.13 H new ATOM 0 HD12 ILE A 62 3.229 -9.151 2.039 1.00 44.13 H new ATOM 0 HD13 ILE A 62 2.334 -10.371 2.977 1.00 44.13 H new ATOM 994 N GLU A 63 6.110 -7.185 6.211 1.00 74.44 N ATOM 995 CA GLU A 63 7.422 -7.234 6.850 1.00 70.21 C ATOM 996 C GLU A 63 7.326 -6.909 8.336 1.00 15.40 C ATOM 997 O GLU A 63 7.997 -7.527 9.166 1.00 33.11 O ATOM 998 CB GLU A 63 8.369 -6.239 6.180 1.00 2.40 C ATOM 999 CG GLU A 63 8.769 -6.621 4.769 1.00 64.52 C ATOM 1000 CD GLU A 63 9.789 -7.736 4.730 1.00 1.33 C ATOM 1001 OE1 GLU A 63 9.407 -8.914 4.900 1.00 51.24 O ATOM 1002 OE2 GLU A 63 10.983 -7.441 4.522 1.00 14.44 O ATOM 0 H GLU A 63 6.074 -6.588 5.384 1.00 74.44 H new ATOM 0 HA GLU A 63 7.808 -8.247 6.738 1.00 70.21 H new ATOM 0 HB2 GLU A 63 7.893 -5.259 6.159 1.00 2.40 H new ATOM 0 HB3 GLU A 63 9.269 -6.144 6.788 1.00 2.40 H new ATOM 0 HG2 GLU A 63 7.882 -6.927 4.215 1.00 64.52 H new ATOM 0 HG3 GLU A 63 9.175 -5.746 4.262 1.00 64.52 H new ATOM 1009 N LEU A 64 6.482 -5.944 8.669 1.00 1.41 N ATOM 1010 CA LEU A 64 6.353 -5.492 10.041 1.00 73.53 C ATOM 1011 C LEU A 64 5.487 -6.443 10.855 1.00 15.33 C ATOM 1012 O LEU A 64 5.832 -6.785 11.987 1.00 25.43 O ATOM 1013 CB LEU A 64 5.777 -4.079 10.082 1.00 21.34 C ATOM 1014 CG LEU A 64 6.633 -3.015 9.392 1.00 23.04 C ATOM 1015 CD1 LEU A 64 5.974 -1.653 9.499 1.00 30.25 C ATOM 1016 CD2 LEU A 64 8.029 -2.973 9.995 1.00 50.31 C ATOM 0 H LEU A 64 5.877 -5.460 8.005 1.00 1.41 H new ATOM 0 HA LEU A 64 7.348 -5.480 10.487 1.00 73.53 H new ATOM 0 HB2 LEU A 64 4.792 -4.090 9.616 1.00 21.34 H new ATOM 0 HB3 LEU A 64 5.634 -3.790 11.123 1.00 21.34 H new ATOM 0 HG LEU A 64 6.721 -3.279 8.338 1.00 23.04 H new ATOM 0 HD11 LEU A 64 6.596 -0.908 9.003 1.00 30.25 H new ATOM 0 HD12 LEU A 64 4.995 -1.684 9.021 1.00 30.25 H new ATOM 0 HD13 LEU A 64 5.857 -1.387 10.550 1.00 30.25 H new ATOM 0 HD21 LEU A 64 8.621 -2.210 9.490 1.00 50.31 H new ATOM 0 HD22 LEU A 64 7.960 -2.735 11.056 1.00 50.31 H new ATOM 0 HD23 LEU A 64 8.508 -3.944 9.872 1.00 50.31 H new ATOM 1028 N ASN A 65 4.370 -6.875 10.286 1.00 73.13 N ATOM 1029 CA ASN A 65 3.483 -7.800 10.980 1.00 50.23 C ATOM 1030 C ASN A 65 2.686 -8.646 9.991 1.00 32.14 C ATOM 1031 O ASN A 65 2.244 -8.159 8.953 1.00 11.11 O ATOM 1032 CB ASN A 65 2.529 -7.052 11.925 1.00 30.15 C ATOM 1033 CG ASN A 65 1.554 -6.138 11.202 1.00 64.41 C ATOM 1034 OD1 ASN A 65 0.473 -6.562 10.802 1.00 65.31 O ATOM 1035 ND2 ASN A 65 1.916 -4.873 11.055 1.00 1.31 N ATOM 0 H ASN A 65 4.058 -6.603 9.354 1.00 73.13 H new ATOM 0 HA ASN A 65 4.109 -8.464 11.577 1.00 50.23 H new ATOM 0 HB2 ASN A 65 1.967 -7.779 12.511 1.00 30.15 H new ATOM 0 HB3 ASN A 65 3.116 -6.461 12.628 1.00 30.15 H new ATOM 0 HD21 ASN A 65 1.288 -4.213 10.596 1.00 1.31 H new ATOM 0 HD22 ASN A 65 2.823 -4.558 11.401 1.00 1.31 H new ATOM 1042 N PRO A 66 2.503 -9.936 10.309 1.00 53.31 N ATOM 1043 CA PRO A 66 1.739 -10.860 9.471 1.00 3.31 C ATOM 1044 C PRO A 66 0.236 -10.759 9.720 1.00 41.54 C ATOM 1045 O PRO A 66 -0.548 -11.560 9.207 1.00 44.12 O ATOM 1046 CB PRO A 66 2.264 -12.225 9.906 1.00 2.23 C ATOM 1047 CG PRO A 66 2.624 -12.047 11.342 1.00 51.54 C ATOM 1048 CD PRO A 66 3.045 -10.605 11.507 1.00 42.03 C ATOM 0 HA PRO A 66 1.862 -10.655 8.408 1.00 3.31 H new ATOM 0 HB2 PRO A 66 1.508 -13.000 9.780 1.00 2.23 H new ATOM 0 HB3 PRO A 66 3.129 -12.524 9.314 1.00 2.23 H new ATOM 0 HG2 PRO A 66 1.775 -12.279 11.986 1.00 51.54 H new ATOM 0 HG3 PRO A 66 3.432 -12.721 11.625 1.00 51.54 H new ATOM 0 HD2 PRO A 66 2.641 -10.173 12.423 1.00 42.03 H new ATOM 0 HD3 PRO A 66 4.129 -10.509 11.561 1.00 42.03 H new ATOM 1056 N ASP A 67 -0.154 -9.775 10.516 1.00 43.44 N ATOM 1057 CA ASP A 67 -1.558 -9.535 10.819 1.00 42.33 C ATOM 1058 C ASP A 67 -2.139 -8.539 9.834 1.00 34.20 C ATOM 1059 O ASP A 67 -3.344 -8.288 9.818 1.00 34.22 O ATOM 1060 CB ASP A 67 -1.718 -8.997 12.239 1.00 52.40 C ATOM 1061 CG ASP A 67 -1.250 -9.979 13.286 1.00 2.12 C ATOM 1062 OD1 ASP A 67 -0.031 -10.036 13.547 1.00 41.54 O ATOM 1063 OD2 ASP A 67 -2.097 -10.699 13.856 1.00 34.04 O ATOM 0 H ASP A 67 0.488 -9.124 10.968 1.00 43.44 H new ATOM 0 HA ASP A 67 -2.092 -10.482 10.738 1.00 42.33 H new ATOM 0 HB2 ASP A 67 -1.154 -8.069 12.338 1.00 52.40 H new ATOM 0 HB3 ASP A 67 -2.766 -8.754 12.416 1.00 52.40 H new ATOM 1068 N SER A 68 -1.265 -7.970 9.025 1.00 3.22 N ATOM 1069 CA SER A 68 -1.653 -6.991 8.033 1.00 32.23 C ATOM 1070 C SER A 68 -2.567 -7.622 6.987 1.00 11.24 C ATOM 1071 O SER A 68 -2.324 -8.742 6.531 1.00 4.11 O ATOM 1072 CB SER A 68 -0.403 -6.417 7.361 1.00 51.31 C ATOM 1073 OG SER A 68 -0.740 -5.390 6.448 1.00 72.25 O ATOM 0 H SER A 68 -0.266 -8.175 9.039 1.00 3.22 H new ATOM 0 HA SER A 68 -2.199 -6.187 8.526 1.00 32.23 H new ATOM 0 HB2 SER A 68 0.274 -6.025 8.120 1.00 51.31 H new ATOM 0 HB3 SER A 68 0.130 -7.212 6.839 1.00 51.31 H new ATOM 0 HG SER A 68 -0.003 -5.260 5.815 1.00 72.25 H new ATOM 1079 N PRO A 69 -3.636 -6.914 6.595 1.00 72.14 N ATOM 1080 CA PRO A 69 -4.537 -7.366 5.529 1.00 52.13 C ATOM 1081 C PRO A 69 -3.835 -7.393 4.173 1.00 45.41 C ATOM 1082 O PRO A 69 -4.375 -7.895 3.185 1.00 53.55 O ATOM 1083 CB PRO A 69 -5.660 -6.325 5.537 1.00 73.55 C ATOM 1084 CG PRO A 69 -5.072 -5.119 6.188 1.00 30.50 C ATOM 1085 CD PRO A 69 -4.055 -5.624 7.170 1.00 40.41 C ATOM 0 HA PRO A 69 -4.894 -8.383 5.693 1.00 52.13 H new ATOM 0 HB2 PRO A 69 -5.996 -6.101 4.525 1.00 73.55 H new ATOM 0 HB3 PRO A 69 -6.528 -6.686 6.089 1.00 73.55 H new ATOM 0 HG2 PRO A 69 -4.608 -4.466 5.449 1.00 30.50 H new ATOM 0 HG3 PRO A 69 -5.842 -4.535 6.692 1.00 30.50 H new ATOM 0 HD2 PRO A 69 -3.215 -4.936 7.268 1.00 40.41 H new ATOM 0 HD3 PRO A 69 -4.484 -5.748 8.165 1.00 40.41 H new ATOM 1093 N ALA A 70 -2.614 -6.860 4.146 1.00 52.03 N ATOM 1094 CA ALA A 70 -1.799 -6.830 2.940 1.00 72.04 C ATOM 1095 C ALA A 70 -1.468 -8.241 2.465 1.00 64.30 C ATOM 1096 O ALA A 70 -1.157 -8.450 1.292 1.00 61.35 O ATOM 1097 CB ALA A 70 -0.527 -6.035 3.190 1.00 41.22 C ATOM 0 H ALA A 70 -2.166 -6.439 4.960 1.00 52.03 H new ATOM 0 HA ALA A 70 -2.370 -6.340 2.151 1.00 72.04 H new ATOM 0 HB1 ALA A 70 0.076 -6.018 2.282 1.00 41.22 H new ATOM 0 HB2 ALA A 70 -0.785 -5.015 3.473 1.00 41.22 H new ATOM 0 HB3 ALA A 70 0.041 -6.502 3.995 1.00 41.22 H new ATOM 1103 N LEU A 71 -1.535 -9.208 3.379 1.00 0.22 N ATOM 1104 CA LEU A 71 -1.354 -10.608 3.018 1.00 2.22 C ATOM 1105 C LEU A 71 -2.419 -11.033 2.017 1.00 73.34 C ATOM 1106 O LEU A 71 -2.109 -11.574 0.954 1.00 25.43 O ATOM 1107 CB LEU A 71 -1.429 -11.513 4.250 1.00 12.34 C ATOM 1108 CG LEU A 71 -0.132 -11.674 5.051 1.00 2.02 C ATOM 1109 CD1 LEU A 71 0.221 -10.391 5.785 1.00 11.22 C ATOM 1110 CD2 LEU A 71 -0.258 -12.835 6.027 1.00 40.24 C ATOM 0 H LEU A 71 -1.713 -9.046 4.370 1.00 0.22 H new ATOM 0 HA LEU A 71 -0.365 -10.710 2.571 1.00 2.22 H new ATOM 0 HB2 LEU A 71 -2.197 -11.121 4.917 1.00 12.34 H new ATOM 0 HB3 LEU A 71 -1.759 -12.501 3.930 1.00 12.34 H new ATOM 0 HG LEU A 71 0.676 -11.890 4.353 1.00 2.02 H new ATOM 0 HD11 LEU A 71 1.145 -10.535 6.345 1.00 11.22 H new ATOM 0 HD12 LEU A 71 0.355 -9.584 5.064 1.00 11.22 H new ATOM 0 HD13 LEU A 71 -0.584 -10.133 6.473 1.00 11.22 H new ATOM 0 HD21 LEU A 71 0.669 -12.939 6.590 1.00 40.24 H new ATOM 0 HD22 LEU A 71 -1.081 -12.644 6.716 1.00 40.24 H new ATOM 0 HD23 LEU A 71 -0.453 -13.755 5.475 1.00 40.24 H new ATOM 1122 N GLN A 72 -3.672 -10.762 2.361 1.00 23.34 N ATOM 1123 CA GLN A 72 -4.800 -11.113 1.510 1.00 54.32 C ATOM 1124 C GLN A 72 -4.789 -10.257 0.252 1.00 51.30 C ATOM 1125 O GLN A 72 -5.101 -10.726 -0.844 1.00 1.55 O ATOM 1126 CB GLN A 72 -6.122 -10.922 2.267 1.00 52.41 C ATOM 1127 CG GLN A 72 -6.173 -11.647 3.604 1.00 53.13 C ATOM 1128 CD GLN A 72 -5.899 -13.134 3.476 1.00 43.23 C ATOM 1129 OE1 GLN A 72 -6.198 -13.744 2.452 1.00 53.55 O ATOM 1130 NE2 GLN A 72 -5.328 -13.727 4.514 1.00 25.41 N ATOM 0 H GLN A 72 -3.933 -10.297 3.230 1.00 23.34 H new ATOM 0 HA GLN A 72 -4.711 -12.162 1.227 1.00 54.32 H new ATOM 0 HB2 GLN A 72 -6.283 -9.857 2.435 1.00 52.41 H new ATOM 0 HB3 GLN A 72 -6.942 -11.274 1.642 1.00 52.41 H new ATOM 0 HG2 GLN A 72 -5.442 -11.204 4.281 1.00 53.13 H new ATOM 0 HG3 GLN A 72 -7.155 -11.500 4.055 1.00 53.13 H new ATOM 0 HE21 GLN A 72 -5.095 -13.185 5.346 1.00 25.41 H new ATOM 0 HE22 GLN A 72 -5.121 -14.725 4.481 1.00 25.41 H new ATOM 1139 N ALA A 73 -4.399 -9.002 0.421 1.00 61.44 N ATOM 1140 CA ALA A 73 -4.329 -8.061 -0.689 1.00 21.00 C ATOM 1141 C ALA A 73 -3.304 -8.510 -1.727 1.00 44.31 C ATOM 1142 O ALA A 73 -3.526 -8.374 -2.925 1.00 14.21 O ATOM 1143 CB ALA A 73 -4.001 -6.667 -0.177 1.00 21.23 C ATOM 0 H ALA A 73 -4.125 -8.609 1.322 1.00 61.44 H new ATOM 0 HA ALA A 73 -5.304 -8.034 -1.175 1.00 21.00 H new ATOM 0 HB1 ALA A 73 -3.952 -5.973 -1.016 1.00 21.23 H new ATOM 0 HB2 ALA A 73 -4.776 -6.342 0.517 1.00 21.23 H new ATOM 0 HB3 ALA A 73 -3.039 -6.685 0.336 1.00 21.23 H new ATOM 1149 N ARG A 74 -2.182 -9.051 -1.272 1.00 10.14 N ATOM 1150 CA ARG A 74 -1.185 -9.576 -2.191 1.00 73.44 C ATOM 1151 C ARG A 74 -1.738 -10.774 -2.956 1.00 22.40 C ATOM 1152 O ARG A 74 -1.580 -10.863 -4.171 1.00 55.13 O ATOM 1153 CB ARG A 74 0.101 -9.968 -1.457 1.00 33.43 C ATOM 1154 CG ARG A 74 1.116 -10.657 -2.358 1.00 1.44 C ATOM 1155 CD ARG A 74 2.442 -10.892 -1.654 1.00 0.21 C ATOM 1156 NE ARG A 74 2.294 -11.646 -0.408 1.00 70.52 N ATOM 1157 CZ ARG A 74 3.321 -12.166 0.267 1.00 34.42 C ATOM 1158 NH1 ARG A 74 4.555 -12.069 -0.214 1.00 10.14 N ATOM 1159 NH2 ARG A 74 3.111 -12.799 1.417 1.00 51.23 N ATOM 0 H ARG A 74 -1.942 -9.137 -0.284 1.00 10.14 H new ATOM 0 HA ARG A 74 -0.942 -8.785 -2.900 1.00 73.44 H new ATOM 0 HB2 ARG A 74 0.553 -9.075 -1.027 1.00 33.43 H new ATOM 0 HB3 ARG A 74 -0.148 -10.630 -0.628 1.00 33.43 H new ATOM 0 HG2 ARG A 74 0.711 -11.611 -2.695 1.00 1.44 H new ATOM 0 HG3 ARG A 74 1.282 -10.049 -3.247 1.00 1.44 H new ATOM 0 HD2 ARG A 74 3.113 -11.431 -2.323 1.00 0.21 H new ATOM 0 HD3 ARG A 74 2.910 -9.931 -1.439 1.00 0.21 H new ATOM 0 HE ARG A 74 1.354 -11.781 -0.035 1.00 70.52 H new ATOM 0 HH11 ARG A 74 4.720 -11.596 -1.102 1.00 10.14 H new ATOM 0 HH12 ARG A 74 5.337 -12.468 0.305 1.00 10.14 H new ATOM 0 HH21 ARG A 74 2.164 -12.888 1.785 1.00 51.23 H new ATOM 0 HH22 ARG A 74 3.897 -13.196 1.932 1.00 51.23 H new ATOM 1173 N LYS A 75 -2.412 -11.672 -2.243 1.00 24.42 N ATOM 1174 CA LYS A 75 -2.932 -12.899 -2.842 1.00 75.24 C ATOM 1175 C LYS A 75 -3.867 -12.604 -4.009 1.00 63.53 C ATOM 1176 O LYS A 75 -3.737 -13.205 -5.079 1.00 25.51 O ATOM 1177 CB LYS A 75 -3.652 -13.742 -1.795 1.00 24.14 C ATOM 1178 CG LYS A 75 -2.731 -14.243 -0.703 1.00 30.22 C ATOM 1179 CD LYS A 75 -3.477 -15.062 0.329 1.00 20.11 C ATOM 1180 CE LYS A 75 -2.538 -15.543 1.417 1.00 22.22 C ATOM 1181 NZ LYS A 75 -1.462 -16.419 0.876 1.00 22.45 N ATOM 0 H LYS A 75 -2.612 -11.573 -1.248 1.00 24.42 H new ATOM 0 HA LYS A 75 -2.081 -13.460 -3.228 1.00 75.24 H new ATOM 0 HB2 LYS A 75 -4.450 -13.150 -1.346 1.00 24.14 H new ATOM 0 HB3 LYS A 75 -4.123 -14.594 -2.284 1.00 24.14 H new ATOM 0 HG2 LYS A 75 -1.939 -14.848 -1.144 1.00 30.22 H new ATOM 0 HG3 LYS A 75 -2.250 -13.395 -0.216 1.00 30.22 H new ATOM 0 HD2 LYS A 75 -4.274 -14.462 0.769 1.00 20.11 H new ATOM 0 HD3 LYS A 75 -3.951 -15.917 -0.153 1.00 20.11 H new ATOM 0 HE2 LYS A 75 -2.090 -14.684 1.916 1.00 22.22 H new ATOM 0 HE3 LYS A 75 -3.105 -16.089 2.171 1.00 22.22 H new ATOM 0 HZ1 LYS A 75 -1.001 -16.926 1.658 1.00 22.45 H new ATOM 0 HZ2 LYS A 75 -1.874 -17.106 0.213 1.00 22.45 H new ATOM 0 HZ3 LYS A 75 -0.758 -15.837 0.379 1.00 22.45 H new ATOM 1195 N MET A 76 -4.798 -11.676 -3.809 1.00 40.50 N ATOM 1196 CA MET A 76 -5.717 -11.291 -4.880 1.00 0.15 C ATOM 1197 C MET A 76 -4.956 -10.674 -6.055 1.00 34.35 C ATOM 1198 O MET A 76 -5.253 -10.971 -7.210 1.00 54.45 O ATOM 1199 CB MET A 76 -6.803 -10.324 -4.383 1.00 1.03 C ATOM 1200 CG MET A 76 -6.264 -9.073 -3.713 1.00 62.53 C ATOM 1201 SD MET A 76 -7.277 -7.613 -4.020 1.00 3.53 S ATOM 1202 CE MET A 76 -6.998 -7.396 -5.775 1.00 44.32 C ATOM 0 H MET A 76 -4.937 -11.181 -2.928 1.00 40.50 H new ATOM 0 HA MET A 76 -6.212 -12.201 -5.220 1.00 0.15 H new ATOM 0 HB2 MET A 76 -7.426 -10.030 -5.228 1.00 1.03 H new ATOM 0 HB3 MET A 76 -7.448 -10.850 -3.679 1.00 1.03 H new ATOM 0 HG2 MET A 76 -6.199 -9.243 -2.638 1.00 62.53 H new ATOM 0 HG3 MET A 76 -5.251 -8.886 -4.068 1.00 62.53 H new ATOM 0 HE1 MET A 76 -7.123 -6.345 -6.036 1.00 44.32 H new ATOM 0 HE2 MET A 76 -5.986 -7.714 -6.025 1.00 44.32 H new ATOM 0 HE3 MET A 76 -7.715 -7.997 -6.334 1.00 44.32 H new ATOM 1212 N VAL A 77 -3.958 -9.841 -5.763 1.00 2.24 N ATOM 1213 CA VAL A 77 -3.156 -9.220 -6.816 1.00 42.05 C ATOM 1214 C VAL A 77 -2.387 -10.278 -7.607 1.00 40.22 C ATOM 1215 O VAL A 77 -2.370 -10.253 -8.838 1.00 64.43 O ATOM 1216 CB VAL A 77 -2.167 -8.177 -6.246 1.00 45.10 C ATOM 1217 CG1 VAL A 77 -1.233 -7.672 -7.334 1.00 43.51 C ATOM 1218 CG2 VAL A 77 -2.919 -7.014 -5.622 1.00 72.53 C ATOM 0 H VAL A 77 -3.687 -9.582 -4.814 1.00 2.24 H new ATOM 0 HA VAL A 77 -3.848 -8.705 -7.482 1.00 42.05 H new ATOM 0 HB VAL A 77 -1.570 -8.662 -5.474 1.00 45.10 H new ATOM 0 HG11 VAL A 77 -0.545 -6.939 -6.912 1.00 43.51 H new ATOM 0 HG12 VAL A 77 -0.666 -8.508 -7.744 1.00 43.51 H new ATOM 0 HG13 VAL A 77 -1.817 -7.206 -8.128 1.00 43.51 H new ATOM 0 HG21 VAL A 77 -2.206 -6.290 -5.226 1.00 72.53 H new ATOM 0 HG22 VAL A 77 -3.541 -6.535 -6.378 1.00 72.53 H new ATOM 0 HG23 VAL A 77 -3.550 -7.381 -4.813 1.00 72.53 H new ATOM 1228 N MET A 78 -1.777 -11.221 -6.892 1.00 71.04 N ATOM 1229 CA MET A 78 -1.019 -12.298 -7.527 1.00 54.40 C ATOM 1230 C MET A 78 -1.927 -13.129 -8.424 1.00 50.10 C ATOM 1231 O MET A 78 -1.492 -13.643 -9.453 1.00 62.45 O ATOM 1232 CB MET A 78 -0.357 -13.202 -6.482 1.00 23.11 C ATOM 1233 CG MET A 78 0.581 -12.471 -5.532 1.00 2.51 C ATOM 1234 SD MET A 78 1.826 -11.485 -6.385 1.00 33.21 S ATOM 1235 CE MET A 78 2.729 -12.754 -7.265 1.00 21.41 C ATOM 0 H MET A 78 -1.793 -11.262 -5.873 1.00 71.04 H new ATOM 0 HA MET A 78 -0.236 -11.840 -8.132 1.00 54.40 H new ATOM 0 HB2 MET A 78 -1.135 -13.695 -5.899 1.00 23.11 H new ATOM 0 HB3 MET A 78 0.201 -13.985 -6.996 1.00 23.11 H new ATOM 0 HG2 MET A 78 -0.005 -11.822 -4.881 1.00 2.51 H new ATOM 0 HG3 MET A 78 1.079 -13.199 -4.891 1.00 2.51 H new ATOM 0 HE1 MET A 78 3.799 -12.611 -7.113 1.00 21.41 H new ATOM 0 HE2 MET A 78 2.437 -13.735 -6.890 1.00 21.41 H new ATOM 0 HE3 MET A 78 2.502 -12.690 -8.329 1.00 21.41 H new ATOM 1245 N ASP A 79 -3.195 -13.242 -8.038 1.00 42.25 N ATOM 1246 CA ASP A 79 -4.177 -13.975 -8.834 1.00 55.33 C ATOM 1247 C ASP A 79 -4.467 -13.237 -10.135 1.00 31.31 C ATOM 1248 O ASP A 79 -4.529 -13.847 -11.205 1.00 15.55 O ATOM 1249 CB ASP A 79 -5.472 -14.182 -8.049 1.00 11.44 C ATOM 1250 CG ASP A 79 -6.511 -14.942 -8.848 1.00 22.03 C ATOM 1251 OD1 ASP A 79 -6.289 -16.140 -9.133 1.00 10.11 O ATOM 1252 OD2 ASP A 79 -7.550 -14.349 -9.202 1.00 3.51 O ATOM 0 H ASP A 79 -3.567 -12.836 -7.180 1.00 42.25 H new ATOM 0 HA ASP A 79 -3.757 -14.953 -9.069 1.00 55.33 H new ATOM 0 HB2 ASP A 79 -5.254 -14.725 -7.130 1.00 11.44 H new ATOM 0 HB3 ASP A 79 -5.877 -13.213 -7.758 1.00 11.44 H new ATOM 1257 N ILE A 80 -4.641 -11.921 -10.032 1.00 3.12 N ATOM 1258 CA ILE A 80 -4.786 -11.067 -11.207 1.00 21.05 C ATOM 1259 C ILE A 80 -3.586 -11.247 -12.135 1.00 55.55 C ATOM 1260 O ILE A 80 -3.736 -11.494 -13.334 1.00 42.43 O ATOM 1261 CB ILE A 80 -4.928 -9.567 -10.806 1.00 55.22 C ATOM 1262 CG1 ILE A 80 -6.400 -9.183 -10.636 1.00 63.52 C ATOM 1263 CG2 ILE A 80 -4.264 -8.639 -11.815 1.00 62.12 C ATOM 1264 CD1 ILE A 80 -7.050 -9.768 -9.408 1.00 32.21 C ATOM 0 H ILE A 80 -4.685 -11.422 -9.143 1.00 3.12 H new ATOM 0 HA ILE A 80 -5.696 -11.364 -11.728 1.00 21.05 H new ATOM 0 HB ILE A 80 -4.415 -9.447 -9.852 1.00 55.22 H new ATOM 0 HG12 ILE A 80 -6.479 -8.097 -10.593 1.00 63.52 H new ATOM 0 HG13 ILE A 80 -6.953 -9.508 -11.517 1.00 63.52 H new ATOM 0 HG21 ILE A 80 -4.388 -7.605 -11.495 1.00 62.12 H new ATOM 0 HG22 ILE A 80 -3.202 -8.873 -11.881 1.00 62.12 H new ATOM 0 HG23 ILE A 80 -4.726 -8.774 -12.793 1.00 62.12 H new ATOM 0 HD11 ILE A 80 -8.091 -9.449 -9.360 1.00 32.21 H new ATOM 0 HD12 ILE A 80 -7.006 -10.856 -9.456 1.00 32.21 H new ATOM 0 HD13 ILE A 80 -6.524 -9.423 -8.518 1.00 32.21 H new ATOM 1276 N LEU A 81 -2.397 -11.157 -11.556 1.00 34.14 N ATOM 1277 CA LEU A 81 -1.158 -11.270 -12.313 1.00 32.12 C ATOM 1278 C LEU A 81 -1.024 -12.644 -12.955 1.00 22.22 C ATOM 1279 O LEU A 81 -0.655 -12.750 -14.119 1.00 23.21 O ATOM 1280 CB LEU A 81 0.035 -10.984 -11.405 1.00 22.22 C ATOM 1281 CG LEU A 81 0.014 -9.603 -10.758 1.00 62.10 C ATOM 1282 CD1 LEU A 81 1.220 -9.419 -9.863 1.00 54.20 C ATOM 1283 CD2 LEU A 81 -0.037 -8.521 -11.823 1.00 44.11 C ATOM 0 H LEU A 81 -2.264 -11.005 -10.556 1.00 34.14 H new ATOM 0 HA LEU A 81 -1.180 -10.532 -13.115 1.00 32.12 H new ATOM 0 HB2 LEU A 81 0.069 -11.740 -10.620 1.00 22.22 H new ATOM 0 HB3 LEU A 81 0.952 -11.086 -11.986 1.00 22.22 H new ATOM 0 HG LEU A 81 -0.882 -9.521 -10.143 1.00 62.10 H new ATOM 0 HD11 LEU A 81 1.189 -8.428 -9.410 1.00 54.20 H new ATOM 0 HD12 LEU A 81 1.211 -10.177 -9.080 1.00 54.20 H new ATOM 0 HD13 LEU A 81 2.130 -9.519 -10.454 1.00 54.20 H new ATOM 0 HD21 LEU A 81 -0.052 -7.541 -11.346 1.00 44.11 H new ATOM 0 HD22 LEU A 81 0.841 -8.600 -12.464 1.00 44.11 H new ATOM 0 HD23 LEU A 81 -0.937 -8.645 -12.425 1.00 44.11 H new ATOM 1295 N ASN A 82 -1.351 -13.683 -12.194 1.00 63.32 N ATOM 1296 CA ASN A 82 -1.310 -15.060 -12.693 1.00 53.31 C ATOM 1297 C ASN A 82 -2.187 -15.210 -13.937 1.00 33.32 C ATOM 1298 O ASN A 82 -1.892 -16.008 -14.830 1.00 63.21 O ATOM 1299 CB ASN A 82 -1.789 -16.025 -11.603 1.00 31.05 C ATOM 1300 CG ASN A 82 -1.704 -17.487 -12.017 1.00 31.51 C ATOM 1301 OD1 ASN A 82 -0.776 -17.898 -12.712 1.00 30.21 O ATOM 1302 ND2 ASN A 82 -2.692 -18.271 -11.614 1.00 11.43 N ATOM 0 H ASN A 82 -1.650 -13.600 -11.222 1.00 63.32 H new ATOM 0 HA ASN A 82 -0.281 -15.299 -12.961 1.00 53.31 H new ATOM 0 HB2 ASN A 82 -1.191 -15.873 -10.704 1.00 31.05 H new ATOM 0 HB3 ASN A 82 -2.821 -15.787 -11.344 1.00 31.05 H new ATOM 0 HD21 ASN A 82 -2.702 -19.256 -11.879 1.00 11.43 H new ATOM 0 HD22 ASN A 82 -3.443 -17.890 -11.038 1.00 11.43 H new ATOM 1309 N PHE A 83 -3.264 -14.436 -13.988 1.00 5.35 N ATOM 1310 CA PHE A 83 -4.172 -14.466 -15.123 1.00 23.24 C ATOM 1311 C PHE A 83 -3.570 -13.738 -16.323 1.00 72.02 C ATOM 1312 O PHE A 83 -3.800 -14.120 -17.469 1.00 14.42 O ATOM 1313 CB PHE A 83 -5.517 -13.836 -14.743 1.00 64.51 C ATOM 1314 CG PHE A 83 -6.542 -13.890 -15.841 1.00 74.12 C ATOM 1315 CD1 PHE A 83 -7.204 -15.073 -16.130 1.00 72.14 C ATOM 1316 CD2 PHE A 83 -6.842 -12.759 -16.585 1.00 70.35 C ATOM 1317 CE1 PHE A 83 -8.146 -15.127 -17.140 1.00 75.21 C ATOM 1318 CE2 PHE A 83 -7.783 -12.808 -17.595 1.00 73.55 C ATOM 1319 CZ PHE A 83 -8.435 -13.994 -17.875 1.00 1.42 C ATOM 0 H PHE A 83 -3.529 -13.779 -13.254 1.00 5.35 H new ATOM 0 HA PHE A 83 -4.334 -15.507 -15.401 1.00 23.24 H new ATOM 0 HB2 PHE A 83 -5.912 -14.346 -13.864 1.00 64.51 H new ATOM 0 HB3 PHE A 83 -5.354 -12.796 -14.461 1.00 64.51 H new ATOM 0 HD1 PHE A 83 -6.981 -15.963 -15.560 1.00 72.14 H new ATOM 0 HD2 PHE A 83 -6.334 -11.830 -16.372 1.00 70.35 H new ATOM 0 HE1 PHE A 83 -8.656 -16.055 -17.354 1.00 75.21 H new ATOM 0 HE2 PHE A 83 -8.009 -11.920 -18.166 1.00 73.55 H new ATOM 0 HZ PHE A 83 -9.169 -14.035 -18.667 1.00 1.42 H new ATOM 1329 N TYR A 84 -2.797 -12.693 -16.055 1.00 53.02 N ATOM 1330 CA TYR A 84 -2.213 -11.889 -17.123 1.00 14.03 C ATOM 1331 C TYR A 84 -0.882 -12.457 -17.613 1.00 24.12 C ATOM 1332 O TYR A 84 -0.816 -13.066 -18.685 1.00 11.34 O ATOM 1333 CB TYR A 84 -2.025 -10.437 -16.669 1.00 22.11 C ATOM 1334 CG TYR A 84 -3.323 -9.683 -16.488 1.00 24.14 C ATOM 1335 CD1 TYR A 84 -4.221 -9.549 -17.540 1.00 63.32 C ATOM 1336 CD2 TYR A 84 -3.644 -9.095 -15.273 1.00 11.04 C ATOM 1337 CE1 TYR A 84 -5.405 -8.854 -17.384 1.00 55.40 C ATOM 1338 CE2 TYR A 84 -4.829 -8.401 -15.109 1.00 33.22 C ATOM 1339 CZ TYR A 84 -5.707 -8.282 -16.167 1.00 55.10 C ATOM 1340 OH TYR A 84 -6.885 -7.582 -16.010 1.00 11.42 O ATOM 0 H TYR A 84 -2.560 -12.383 -15.113 1.00 53.02 H new ATOM 0 HA TYR A 84 -2.913 -11.918 -17.958 1.00 14.03 H new ATOM 0 HB2 TYR A 84 -1.476 -10.428 -15.727 1.00 22.11 H new ATOM 0 HB3 TYR A 84 -1.410 -9.914 -17.401 1.00 22.11 H new ATOM 0 HD1 TYR A 84 -3.990 -9.996 -18.496 1.00 63.32 H new ATOM 0 HD2 TYR A 84 -2.958 -9.181 -14.443 1.00 11.04 H new ATOM 0 HE1 TYR A 84 -6.091 -8.759 -18.213 1.00 55.40 H new ATOM 0 HE2 TYR A 84 -5.067 -7.953 -14.155 1.00 33.22 H new ATOM 0 HH TYR A 84 -6.945 -7.244 -15.092 1.00 11.42 H new ATOM 1350 N ASN A 85 0.174 -12.277 -16.831 1.00 30.50 N ATOM 1351 CA ASN A 85 1.514 -12.641 -17.272 1.00 60.34 C ATOM 1352 C ASN A 85 2.334 -13.236 -16.135 1.00 54.15 C ATOM 1353 O ASN A 85 1.967 -13.137 -14.967 1.00 42.43 O ATOM 1354 CB ASN A 85 2.243 -11.425 -17.862 1.00 64.45 C ATOM 1355 CG ASN A 85 2.559 -10.342 -16.836 1.00 41.43 C ATOM 1356 OD1 ASN A 85 1.820 -10.127 -15.877 1.00 71.44 O ATOM 1357 ND2 ASN A 85 3.677 -9.659 -17.035 1.00 55.13 N ATOM 0 H ASN A 85 0.129 -11.883 -15.891 1.00 30.50 H new ATOM 0 HA ASN A 85 1.405 -13.400 -18.047 1.00 60.34 H new ATOM 0 HB2 ASN A 85 3.173 -11.758 -18.323 1.00 64.45 H new ATOM 0 HB3 ASN A 85 1.631 -10.995 -18.654 1.00 64.45 H new ATOM 0 HD21 ASN A 85 3.950 -8.926 -16.381 1.00 55.13 H new ATOM 0 HD22 ASN A 85 4.264 -9.866 -17.843 1.00 55.13 H new ATOM 1364 N LYS A 86 3.462 -13.840 -16.486 1.00 30.31 N ATOM 1365 CA LYS A 86 4.299 -14.520 -15.511 1.00 60.33 C ATOM 1366 C LYS A 86 5.741 -14.014 -15.596 1.00 21.22 C ATOM 1367 O LYS A 86 6.669 -14.638 -15.082 1.00 4.30 O ATOM 1368 CB LYS A 86 4.237 -16.027 -15.760 1.00 50.42 C ATOM 1369 CG LYS A 86 4.819 -16.863 -14.635 1.00 63.20 C ATOM 1370 CD LYS A 86 4.663 -18.348 -14.916 1.00 21.14 C ATOM 1371 CE LYS A 86 5.503 -18.780 -16.106 1.00 22.02 C ATOM 1372 NZ LYS A 86 6.905 -19.094 -15.716 1.00 15.32 N ATOM 0 H LYS A 86 3.817 -13.872 -17.442 1.00 30.31 H new ATOM 0 HA LYS A 86 3.931 -14.308 -14.507 1.00 60.33 H new ATOM 0 HB2 LYS A 86 3.198 -16.317 -15.914 1.00 50.42 H new ATOM 0 HB3 LYS A 86 4.772 -16.255 -16.682 1.00 50.42 H new ATOM 0 HG2 LYS A 86 5.875 -16.623 -14.509 1.00 63.20 H new ATOM 0 HG3 LYS A 86 4.321 -16.613 -13.698 1.00 63.20 H new ATOM 0 HD2 LYS A 86 4.957 -18.919 -14.035 1.00 21.14 H new ATOM 0 HD3 LYS A 86 3.614 -18.575 -15.108 1.00 21.14 H new ATOM 0 HE2 LYS A 86 5.051 -19.657 -16.569 1.00 22.02 H new ATOM 0 HE3 LYS A 86 5.504 -17.988 -16.855 1.00 22.02 H new ATOM 0 HZ1 LYS A 86 7.443 -19.384 -16.558 1.00 15.32 H new ATOM 0 HZ2 LYS A 86 7.346 -18.250 -15.297 1.00 15.32 H new ATOM 0 HZ3 LYS A 86 6.907 -19.867 -15.020 1.00 15.32 H new ATOM 1386 N ASP A 87 5.906 -12.862 -16.232 1.00 74.25 N ATOM 1387 CA ASP A 87 7.225 -12.240 -16.405 1.00 54.14 C ATOM 1388 C ASP A 87 7.882 -11.988 -15.057 1.00 5.13 C ATOM 1389 O ASP A 87 8.949 -12.524 -14.758 1.00 51.12 O ATOM 1390 CB ASP A 87 7.102 -10.912 -17.162 1.00 23.11 C ATOM 1391 CG ASP A 87 6.569 -11.081 -18.568 1.00 53.13 C ATOM 1392 OD1 ASP A 87 5.338 -11.204 -18.727 1.00 4.22 O ATOM 1393 OD2 ASP A 87 7.375 -11.091 -19.519 1.00 43.34 O ATOM 0 H ASP A 87 5.139 -12.330 -16.643 1.00 74.25 H new ATOM 0 HA ASP A 87 7.843 -12.928 -16.982 1.00 54.14 H new ATOM 0 HB2 ASP A 87 6.443 -10.244 -16.607 1.00 23.11 H new ATOM 0 HB3 ASP A 87 8.080 -10.433 -17.205 1.00 23.11 H new ATOM 1398 N MET A 88 7.231 -11.171 -14.243 1.00 62.40 N ATOM 1399 CA MET A 88 7.718 -10.869 -12.903 1.00 12.22 C ATOM 1400 C MET A 88 7.091 -11.815 -11.884 1.00 52.14 C ATOM 1401 O MET A 88 7.389 -11.760 -10.692 1.00 14.11 O ATOM 1402 CB MET A 88 7.429 -9.402 -12.545 1.00 53.23 C ATOM 1403 CG MET A 88 6.006 -8.957 -12.862 1.00 44.53 C ATOM 1404 SD MET A 88 4.770 -9.737 -11.810 1.00 41.34 S ATOM 1405 CE MET A 88 3.284 -9.418 -12.749 1.00 43.21 C ATOM 0 H MET A 88 6.359 -10.702 -14.488 1.00 62.40 H new ATOM 0 HA MET A 88 8.798 -11.016 -12.882 1.00 12.22 H new ATOM 0 HB2 MET A 88 7.617 -9.254 -11.482 1.00 53.23 H new ATOM 0 HB3 MET A 88 8.128 -8.762 -13.084 1.00 53.23 H new ATOM 0 HG2 MET A 88 5.937 -7.875 -12.752 1.00 44.53 H new ATOM 0 HG3 MET A 88 5.784 -9.186 -13.904 1.00 44.53 H new ATOM 0 HE1 MET A 88 2.572 -10.227 -12.589 1.00 43.21 H new ATOM 0 HE2 MET A 88 2.843 -8.476 -12.423 1.00 43.21 H new ATOM 0 HE3 MET A 88 3.530 -9.356 -13.809 1.00 43.21 H new ATOM 1415 N TYR A 89 6.219 -12.693 -12.363 1.00 12.22 N ATOM 1416 CA TYR A 89 5.596 -13.679 -11.518 1.00 41.54 C ATOM 1417 C TYR A 89 6.597 -14.793 -11.245 1.00 41.24 C ATOM 1418 O TYR A 89 7.447 -15.077 -12.090 1.00 5.32 O ATOM 1419 CB TYR A 89 4.338 -14.207 -12.200 1.00 12.54 C ATOM 1420 CG TYR A 89 3.492 -15.092 -11.327 1.00 63.40 C ATOM 1421 CD1 TYR A 89 3.358 -14.830 -9.977 1.00 40.42 C ATOM 1422 CD2 TYR A 89 2.833 -16.187 -11.855 1.00 10.14 C ATOM 1423 CE1 TYR A 89 2.581 -15.640 -9.167 1.00 1.15 C ATOM 1424 CE2 TYR A 89 2.054 -17.001 -11.059 1.00 42.22 C ATOM 1425 CZ TYR A 89 1.932 -16.726 -9.714 1.00 33.20 C ATOM 1426 OH TYR A 89 1.157 -17.538 -8.917 1.00 35.12 O ATOM 0 H TYR A 89 5.932 -12.734 -13.341 1.00 12.22 H new ATOM 0 HA TYR A 89 5.300 -13.240 -10.565 1.00 41.54 H new ATOM 0 HB2 TYR A 89 3.736 -13.361 -12.533 1.00 12.54 H new ATOM 0 HB3 TYR A 89 4.627 -14.764 -13.091 1.00 12.54 H new ATOM 0 HD1 TYR A 89 3.867 -13.980 -9.547 1.00 40.42 H new ATOM 0 HD2 TYR A 89 2.930 -16.409 -12.908 1.00 10.14 H new ATOM 0 HE1 TYR A 89 2.484 -15.423 -8.114 1.00 1.15 H new ATOM 0 HE2 TYR A 89 1.542 -17.850 -11.488 1.00 42.22 H new ATOM 0 HH TYR A 89 0.770 -18.256 -9.460 1.00 35.12 H new ATOM 1436 N ASN A 90 6.507 -15.390 -10.055 1.00 13.02 N ATOM 1437 CA ASN A 90 7.495 -16.367 -9.571 1.00 4.33 C ATOM 1438 C ASN A 90 8.773 -15.653 -9.144 1.00 1.11 C ATOM 1439 O ASN A 90 9.725 -16.276 -8.681 1.00 65.42 O ATOM 1440 CB ASN A 90 7.825 -17.436 -10.624 1.00 61.43 C ATOM 1441 CG ASN A 90 6.678 -18.389 -10.892 1.00 0.12 C ATOM 1442 OD1 ASN A 90 5.508 -18.040 -10.751 1.00 52.04 O ATOM 1443 ND2 ASN A 90 7.014 -19.604 -11.289 1.00 64.43 N ATOM 0 H ASN A 90 5.748 -15.212 -9.397 1.00 13.02 H new ATOM 0 HA ASN A 90 7.051 -16.876 -8.715 1.00 4.33 H new ATOM 0 HB2 ASN A 90 8.104 -16.944 -11.556 1.00 61.43 H new ATOM 0 HB3 ASN A 90 8.692 -18.007 -10.292 1.00 61.43 H new ATOM 0 HD21 ASN A 90 6.290 -20.293 -11.491 1.00 64.43 H new ATOM 0 HD22 ASN A 90 7.998 -19.853 -11.393 1.00 64.43 H new ATOM 1450 N GLN A 91 8.772 -14.336 -9.305 1.00 71.35 N ATOM 1451 CA GLN A 91 9.902 -13.508 -8.929 1.00 70.44 C ATOM 1452 C GLN A 91 9.559 -12.722 -7.668 1.00 73.42 C ATOM 1453 O GLN A 91 10.302 -12.749 -6.689 1.00 53.24 O ATOM 1454 CB GLN A 91 10.254 -12.567 -10.084 1.00 42.21 C ATOM 1455 CG GLN A 91 11.513 -11.749 -9.866 1.00 15.44 C ATOM 1456 CD GLN A 91 11.829 -10.858 -11.053 1.00 61.50 C ATOM 1457 OE1 GLN A 91 11.488 -11.179 -12.194 1.00 35.01 O ATOM 1458 NE2 GLN A 91 12.495 -9.746 -10.795 1.00 15.31 N ATOM 0 H GLN A 91 7.988 -13.816 -9.699 1.00 71.35 H new ATOM 0 HA GLN A 91 10.769 -14.134 -8.720 1.00 70.44 H new ATOM 0 HB2 GLN A 91 10.371 -13.156 -10.993 1.00 42.21 H new ATOM 0 HB3 GLN A 91 9.418 -11.887 -10.250 1.00 42.21 H new ATOM 0 HG2 GLN A 91 11.395 -11.134 -8.973 1.00 15.44 H new ATOM 0 HG3 GLN A 91 12.353 -12.419 -9.683 1.00 15.44 H new ATOM 0 HE21 GLN A 91 12.757 -9.519 -9.836 1.00 15.31 H new ATOM 0 HE22 GLN A 91 12.747 -9.114 -11.555 1.00 15.31 H new ATOM 1467 N LEU A 92 8.422 -12.030 -7.699 1.00 71.50 N ATOM 1468 CA LEU A 92 7.902 -11.359 -6.510 1.00 4.21 C ATOM 1469 C LEU A 92 7.477 -12.393 -5.477 1.00 50.02 C ATOM 1470 O LEU A 92 8.020 -12.453 -4.375 1.00 32.52 O ATOM 1471 CB LEU A 92 6.718 -10.443 -6.858 1.00 34.51 C ATOM 1472 CG LEU A 92 7.082 -9.076 -7.452 1.00 25.32 C ATOM 1473 CD1 LEU A 92 8.077 -8.347 -6.560 1.00 15.41 C ATOM 1474 CD2 LEU A 92 7.628 -9.220 -8.862 1.00 43.12 C ATOM 0 H LEU A 92 7.844 -11.919 -8.532 1.00 71.50 H new ATOM 0 HA LEU A 92 8.696 -10.738 -6.096 1.00 4.21 H new ATOM 0 HB2 LEU A 92 6.075 -10.966 -7.566 1.00 34.51 H new ATOM 0 HB3 LEU A 92 6.131 -10.280 -5.954 1.00 34.51 H new ATOM 0 HG LEU A 92 6.171 -8.481 -7.505 1.00 25.32 H new ATOM 0 HD11 LEU A 92 8.321 -7.380 -7.001 1.00 15.41 H new ATOM 0 HD12 LEU A 92 7.639 -8.196 -5.574 1.00 15.41 H new ATOM 0 HD13 LEU A 92 8.985 -8.942 -6.466 1.00 15.41 H new ATOM 0 HD21 LEU A 92 7.877 -8.236 -9.258 1.00 43.12 H new ATOM 0 HD22 LEU A 92 8.523 -9.841 -8.844 1.00 43.12 H new ATOM 0 HD23 LEU A 92 6.875 -9.687 -9.498 1.00 43.12 H new ATOM 1486 N GLU A 93 6.507 -13.211 -5.843 1.00 33.52 N ATOM 1487 CA GLU A 93 6.092 -14.323 -5.006 1.00 54.22 C ATOM 1488 C GLU A 93 6.472 -15.629 -5.693 1.00 62.33 C ATOM 1489 O GLU A 93 6.013 -15.917 -6.799 1.00 44.45 O ATOM 1490 CB GLU A 93 4.583 -14.274 -4.730 1.00 40.14 C ATOM 1491 CG GLU A 93 4.118 -15.312 -3.716 1.00 22.44 C ATOM 1492 CD GLU A 93 2.625 -15.256 -3.443 1.00 31.12 C ATOM 1493 OE1 GLU A 93 1.855 -15.889 -4.199 1.00 1.30 O ATOM 1494 OE2 GLU A 93 2.215 -14.597 -2.460 1.00 32.24 O ATOM 0 H GLU A 93 5.990 -13.126 -6.718 1.00 33.52 H new ATOM 0 HA GLU A 93 6.601 -14.255 -4.044 1.00 54.22 H new ATOM 0 HB2 GLU A 93 4.320 -13.280 -4.368 1.00 40.14 H new ATOM 0 HB3 GLU A 93 4.045 -14.425 -5.666 1.00 40.14 H new ATOM 0 HG2 GLU A 93 4.377 -16.307 -4.079 1.00 22.44 H new ATOM 0 HG3 GLU A 93 4.658 -15.164 -2.781 1.00 22.44 H new ATOM 1501 N HIS A 94 7.347 -16.387 -5.050 1.00 41.03 N ATOM 1502 CA HIS A 94 7.834 -17.652 -5.596 1.00 11.54 C ATOM 1503 C HIS A 94 6.723 -18.700 -5.661 1.00 1.15 C ATOM 1504 O HIS A 94 5.894 -18.797 -4.757 1.00 22.13 O ATOM 1505 CB HIS A 94 9.017 -18.176 -4.767 1.00 5.33 C ATOM 1506 CG HIS A 94 8.754 -18.248 -3.289 1.00 23.33 C ATOM 1507 ND1 HIS A 94 8.365 -19.400 -2.642 1.00 53.12 N ATOM 1508 CD2 HIS A 94 8.833 -17.294 -2.333 1.00 53.00 C ATOM 1509 CE1 HIS A 94 8.214 -19.152 -1.353 1.00 62.20 C ATOM 1510 NE2 HIS A 94 8.493 -17.880 -1.141 1.00 1.20 N ATOM 0 H HIS A 94 7.740 -16.148 -4.140 1.00 41.03 H new ATOM 0 HA HIS A 94 8.173 -17.464 -6.615 1.00 11.54 H new ATOM 0 HB2 HIS A 94 9.284 -19.170 -5.125 1.00 5.33 H new ATOM 0 HB3 HIS A 94 9.880 -17.532 -4.940 1.00 5.33 H new ATOM 0 HD2 HIS A 94 9.112 -16.261 -2.481 1.00 53.00 H new ATOM 0 HE1 HIS A 94 7.914 -19.868 -0.602 1.00 62.20 H new ATOM 0 HE2 HIS A 94 8.461 -17.409 -0.237 1.00 1.20 H new ATOM 1519 N HIS A 95 6.723 -19.487 -6.730 1.00 13.35 N ATOM 1520 CA HIS A 95 5.683 -20.483 -6.951 1.00 53.54 C ATOM 1521 C HIS A 95 5.976 -21.743 -6.151 1.00 40.33 C ATOM 1522 O HIS A 95 6.951 -22.447 -6.415 1.00 40.24 O ATOM 1523 CB HIS A 95 5.574 -20.824 -8.443 1.00 65.03 C ATOM 1524 CG HIS A 95 4.489 -21.810 -8.773 1.00 41.40 C ATOM 1525 ND1 HIS A 95 4.655 -23.179 -8.677 1.00 11.41 N ATOM 1526 CD2 HIS A 95 3.220 -21.622 -9.208 1.00 70.52 C ATOM 1527 CE1 HIS A 95 3.540 -23.782 -9.040 1.00 14.14 C ATOM 1528 NE2 HIS A 95 2.656 -22.863 -9.364 1.00 14.11 N ATOM 0 H HIS A 95 7.435 -19.454 -7.460 1.00 13.35 H new ATOM 0 HA HIS A 95 4.733 -20.066 -6.616 1.00 53.54 H new ATOM 0 HB2 HIS A 95 5.396 -19.905 -9.002 1.00 65.03 H new ATOM 0 HB3 HIS A 95 6.529 -21.225 -8.783 1.00 65.03 H new ATOM 0 HD2 HIS A 95 2.741 -20.672 -9.397 1.00 70.52 H new ATOM 0 HE1 HIS A 95 3.380 -24.850 -9.067 1.00 14.14 H new ATOM 0 HE2 HIS A 95 1.703 -23.044 -9.681 1.00 14.11 H new ATOM 1537 N HIS A 96 5.132 -22.027 -5.175 1.00 72.20 N ATOM 1538 CA HIS A 96 5.296 -23.217 -4.362 1.00 44.31 C ATOM 1539 C HIS A 96 4.133 -24.171 -4.600 1.00 53.52 C ATOM 1540 O HIS A 96 2.972 -23.778 -4.499 1.00 23.35 O ATOM 1541 CB HIS A 96 5.400 -22.844 -2.881 1.00 15.42 C ATOM 1542 CG HIS A 96 5.789 -23.985 -1.994 1.00 43.12 C ATOM 1543 ND1 HIS A 96 7.066 -24.503 -1.952 1.00 21.12 N ATOM 1544 CD2 HIS A 96 5.065 -24.704 -1.108 1.00 14.13 C ATOM 1545 CE1 HIS A 96 7.109 -25.486 -1.076 1.00 31.13 C ATOM 1546 NE2 HIS A 96 5.907 -25.630 -0.547 1.00 72.13 N ATOM 0 H HIS A 96 4.328 -21.451 -4.927 1.00 72.20 H new ATOM 0 HA HIS A 96 6.221 -23.717 -4.649 1.00 44.31 H new ATOM 0 HB2 HIS A 96 6.131 -22.044 -2.769 1.00 15.42 H new ATOM 0 HB3 HIS A 96 4.441 -22.448 -2.548 1.00 15.42 H new ATOM 0 HD2 HIS A 96 4.017 -24.574 -0.883 1.00 14.13 H new ATOM 0 HE1 HIS A 96 7.980 -26.075 -0.831 1.00 31.13 H new ATOM 0 HE2 HIS A 96 5.648 -26.316 0.162 1.00 72.13 H new ATOM 1555 N HIS A 97 4.462 -25.413 -4.931 1.00 1.32 N ATOM 1556 CA HIS A 97 3.464 -26.429 -5.245 1.00 51.12 C ATOM 1557 C HIS A 97 2.528 -26.651 -4.059 1.00 25.53 C ATOM 1558 O HIS A 97 2.967 -27.033 -2.973 1.00 44.13 O ATOM 1559 CB HIS A 97 4.166 -27.738 -5.628 1.00 4.31 C ATOM 1560 CG HIS A 97 3.266 -28.777 -6.232 1.00 13.35 C ATOM 1561 ND1 HIS A 97 3.429 -30.128 -6.013 1.00 51.13 N ATOM 1562 CD2 HIS A 97 2.220 -28.661 -7.085 1.00 41.32 C ATOM 1563 CE1 HIS A 97 2.528 -30.797 -6.708 1.00 52.42 C ATOM 1564 NE2 HIS A 97 1.780 -29.930 -7.365 1.00 4.40 N ATOM 0 H HIS A 97 5.425 -25.744 -4.989 1.00 1.32 H new ATOM 0 HA HIS A 97 2.863 -26.086 -6.088 1.00 51.12 H new ATOM 0 HB2 HIS A 97 4.965 -27.513 -6.335 1.00 4.31 H new ATOM 0 HB3 HIS A 97 4.636 -28.157 -4.738 1.00 4.31 H new ATOM 0 HD2 HIS A 97 1.809 -27.741 -7.473 1.00 41.32 H new ATOM 0 HE1 HIS A 97 2.421 -31.871 -6.735 1.00 52.42 H new ATOM 0 HE2 HIS A 97 1.002 -30.165 -7.981 1.00 4.40 H new ATOM 1573 N HIS A 98 1.247 -26.385 -4.268 1.00 71.04 N ATOM 1574 CA HIS A 98 0.247 -26.560 -3.221 1.00 12.52 C ATOM 1575 C HIS A 98 -0.054 -28.037 -3.010 1.00 61.01 C ATOM 1576 O HIS A 98 -0.133 -28.801 -3.971 1.00 24.54 O ATOM 1577 CB HIS A 98 -1.048 -25.824 -3.575 1.00 74.11 C ATOM 1578 CG HIS A 98 -0.909 -24.336 -3.665 1.00 23.41 C ATOM 1579 ND1 HIS A 98 -1.177 -23.625 -4.813 1.00 23.25 N ATOM 1580 CD2 HIS A 98 -0.557 -23.419 -2.734 1.00 43.31 C ATOM 1581 CE1 HIS A 98 -0.999 -22.340 -4.584 1.00 71.31 C ATOM 1582 NE2 HIS A 98 -0.623 -22.184 -3.329 1.00 71.25 N ATOM 0 H HIS A 98 0.873 -26.046 -5.155 1.00 71.04 H new ATOM 0 HA HIS A 98 0.653 -26.140 -2.301 1.00 12.52 H new ATOM 0 HB2 HIS A 98 -1.416 -26.201 -4.529 1.00 74.11 H new ATOM 0 HB3 HIS A 98 -1.803 -26.062 -2.826 1.00 74.11 H new ATOM 0 HD2 HIS A 98 -0.276 -23.622 -1.711 1.00 43.31 H new ATOM 0 HE1 HIS A 98 -1.138 -21.547 -5.303 1.00 71.31 H new ATOM 0 HE2 HIS A 98 -0.416 -21.294 -2.876 1.00 71.25 H new ATOM 1591 N HIS A 99 -0.216 -28.430 -1.754 1.00 12.40 N ATOM 1592 CA HIS A 99 -0.556 -29.811 -1.412 1.00 11.22 C ATOM 1593 C HIS A 99 -1.064 -29.893 0.021 1.00 75.31 C ATOM 1594 O HIS A 99 -0.475 -29.290 0.922 1.00 42.22 O ATOM 1595 CB HIS A 99 0.667 -30.715 -1.586 1.00 71.22 C ATOM 1596 CG HIS A 99 0.380 -32.175 -1.385 1.00 12.24 C ATOM 1597 ND1 HIS A 99 0.780 -32.873 -0.267 1.00 74.40 N ATOM 1598 CD2 HIS A 99 -0.252 -33.074 -2.177 1.00 4.54 C ATOM 1599 CE1 HIS A 99 0.409 -34.135 -0.384 1.00 45.21 C ATOM 1600 NE2 HIS A 99 -0.220 -34.282 -1.532 1.00 12.14 N ATOM 0 H HIS A 99 -0.118 -27.811 -0.949 1.00 12.40 H new ATOM 0 HA HIS A 99 -1.345 -30.150 -2.083 1.00 11.22 H new ATOM 0 HB2 HIS A 99 1.074 -30.570 -2.587 1.00 71.22 H new ATOM 0 HB3 HIS A 99 1.438 -30.406 -0.880 1.00 71.22 H new ATOM 0 HD2 HIS A 99 -0.699 -32.875 -3.140 1.00 4.54 H new ATOM 0 HE1 HIS A 99 0.591 -34.916 0.340 1.00 45.21 H new ATOM 0 HE2 HIS A 99 -0.618 -35.153 -1.883 1.00 12.14 H new TER 1609 HIS A 99