USER MOD reduce.3.24.130724 H: found=0, std=0, add=689, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 576 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 24 MET CE :methyl 141:sc= -0.674 (180deg=-2.54) USER MOD Set 1.2: A 72 HIS : no HD1:sc= -10.8! C(o=-11!,f=-11!) USER MOD Set 2.1: A 1 MET N :NH3+ -135:sc= 1.15 (180deg=0.305) USER MOD Set 2.2: A 2 ASN : amide:sc= -0.417 K(o=0.73,f=0.019) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 ASN : amide:sc=-0.00555 K(o=-0.0056,f=-1.1) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 LYS NZ :NH3+ 162:sc= 1.88 (180deg=0.863) USER MOD Single : A 13 TYR OH : rot 154:sc= 0.0318 USER MOD Single : A 18 CYS SG : rot 3:sc= 0.368 USER MOD Single : A 19 HIS : no HE2:sc= 1.17 K(o=1.2,f=-4.9!) USER MOD Single : A 21 CYS SG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 75:sc= 0.223 USER MOD Single : A 32 GLN : amide:sc= -0.0421 K(o=-0.042,f=-0.83) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -4.17! C(o=-4.2!,f=-8.9!) USER MOD Single : A 47 ASN : amide:sc= -0.084 X(o=-0.084,f=-0.09) USER MOD Single : A 49 HIS : no HD1:sc=-0.00254 X(o=-0.0025,f=0) USER MOD Single : A 51 THR OG1 : rot 74:sc= 1.24 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -0.0789 X(o=-0.079,f=-0.093) USER MOD Single : A 65 ASN : amide:sc= -0.0724 K(o=-0.072,f=-1.8!) USER MOD Single : A 68 LYS NZ :NH3+ 139:sc= 0.187 (180deg=0.00122) USER MOD Single : A 71 CYS SG : rot 170:sc= -0.0416 USER MOD Single : A 73 TYR OH : rot 19:sc= -0.236 USER MOD Single : A 77 SER OG : rot 180:sc= -0.213 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 102:sc= 1.25 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.403 28.679 -1.807 1.00 63.34 N ATOM 2 CA MET A 1 -1.331 28.498 -0.337 1.00 23.22 C ATOM 3 C MET A 1 -2.425 27.539 0.127 1.00 73.35 C ATOM 4 O MET A 1 -3.601 27.894 0.201 1.00 63.44 O ATOM 5 CB MET A 1 -1.436 29.855 0.390 1.00 64.34 C ATOM 6 CG MET A 1 -2.753 30.602 0.197 1.00 43.34 C ATOM 7 SD MET A 1 -3.072 31.061 -1.520 1.00 3.41 S ATOM 8 CE MET A 1 -4.714 31.768 -1.383 1.00 44.21 C ATOM 0 H1 MET A 1 -0.447 28.619 -2.211 1.00 63.34 H new ATOM 0 H2 MET A 1 -2.001 27.935 -2.220 1.00 63.34 H new ATOM 0 H3 MET A 1 -1.812 29.611 -2.022 1.00 63.34 H new ATOM 0 HA MET A 1 -0.363 28.064 -0.086 1.00 23.22 H new ATOM 0 HB2 MET A 1 -1.285 29.689 1.457 1.00 64.34 H new ATOM 0 HB3 MET A 1 -0.622 30.495 0.049 1.00 64.34 H new ATOM 0 HG2 MET A 1 -3.572 29.979 0.557 1.00 43.34 H new ATOM 0 HG3 MET A 1 -2.745 31.503 0.811 1.00 43.34 H new ATOM 0 HE1 MET A 1 -5.051 32.099 -2.365 1.00 44.21 H new ATOM 0 HE2 MET A 1 -5.403 31.016 -0.998 1.00 44.21 H new ATOM 0 HE3 MET A 1 -4.688 32.619 -0.702 1.00 44.21 H new ATOM 15 N ASN A 2 -2.037 26.305 0.416 1.00 21.42 N ATOM 16 CA ASN A 2 -3.003 25.255 0.736 1.00 3.22 C ATOM 17 C ASN A 2 -2.427 24.292 1.767 1.00 53.31 C ATOM 18 O ASN A 2 -2.980 23.220 1.986 1.00 22.03 O ATOM 19 CB ASN A 2 -3.376 24.464 -0.529 1.00 1.02 C ATOM 20 CG ASN A 2 -3.805 25.350 -1.685 1.00 13.23 C ATOM 21 OD1 ASN A 2 -2.973 25.781 -2.485 1.00 52.43 O ATOM 22 ND2 ASN A 2 -5.095 25.638 -1.778 1.00 2.53 N ATOM 0 H ASN A 2 -1.063 26.003 0.436 1.00 21.42 H new ATOM 0 HA ASN A 2 -3.893 25.734 1.144 1.00 3.22 H new ATOM 0 HB2 ASN A 2 -2.521 23.863 -0.839 1.00 1.02 H new ATOM 0 HB3 ASN A 2 -4.184 23.772 -0.292 1.00 1.02 H new ATOM 0 HD21 ASN A 2 -5.431 26.237 -2.532 1.00 2.53 H new ATOM 0 HD22 ASN A 2 -5.752 25.261 -1.095 1.00 2.53 H new ATOM 28 N ASN A 3 -1.323 24.701 2.399 1.00 32.21 N ATOM 29 CA ASN A 3 -0.576 23.841 3.326 1.00 35.22 C ATOM 30 C ASN A 3 0.046 22.666 2.582 1.00 70.35 C ATOM 31 O ASN A 3 -0.628 21.681 2.280 1.00 11.45 O ATOM 32 CB ASN A 3 -1.450 23.312 4.473 1.00 32.35 C ATOM 33 CG ASN A 3 -1.848 24.377 5.476 1.00 4.20 C ATOM 34 OD1 ASN A 3 -1.160 25.384 5.641 1.00 10.55 O ATOM 35 ND2 ASN A 3 -2.952 24.146 6.170 1.00 14.14 N ATOM 0 H ASN A 3 -0.922 25.632 2.285 1.00 32.21 H new ATOM 0 HA ASN A 3 0.207 24.461 3.762 1.00 35.22 H new ATOM 0 HB2 ASN A 3 -2.351 22.864 4.055 1.00 32.35 H new ATOM 0 HB3 ASN A 3 -0.912 22.519 4.992 1.00 32.35 H new ATOM 0 HD21 ASN A 3 -3.262 24.816 6.874 1.00 14.14 H new ATOM 0 HD22 ASN A 3 -3.493 23.298 6.001 1.00 14.14 H new ATOM 41 N GLN A 4 1.331 22.766 2.284 1.00 1.01 N ATOM 42 CA GLN A 4 2.011 21.694 1.583 1.00 65.21 C ATOM 43 C GLN A 4 2.485 20.639 2.569 1.00 62.33 C ATOM 44 O GLN A 4 3.537 20.783 3.200 1.00 61.03 O ATOM 45 CB GLN A 4 3.203 22.208 0.779 1.00 61.03 C ATOM 46 CG GLN A 4 3.860 21.112 -0.049 1.00 14.43 C ATOM 47 CD GLN A 4 5.186 21.530 -0.651 1.00 24.02 C ATOM 48 OE1 GLN A 4 6.242 21.330 -0.051 1.00 12.04 O ATOM 49 NE2 GLN A 4 5.142 22.101 -1.844 1.00 33.13 N ATOM 0 H GLN A 4 1.917 23.569 2.514 1.00 1.01 H new ATOM 0 HA GLN A 4 1.295 21.256 0.888 1.00 65.21 H new ATOM 0 HB2 GLN A 4 2.874 23.010 0.119 1.00 61.03 H new ATOM 0 HB3 GLN A 4 3.939 22.637 1.459 1.00 61.03 H new ATOM 0 HG2 GLN A 4 4.014 20.235 0.579 1.00 14.43 H new ATOM 0 HG3 GLN A 4 3.183 20.815 -0.850 1.00 14.43 H new ATOM 0 HE21 GLN A 4 4.245 22.248 -2.306 1.00 33.13 H new ATOM 0 HE22 GLN A 4 6.005 22.394 -2.301 1.00 33.13 H new ATOM 56 N VAL A 5 1.691 19.600 2.726 1.00 40.41 N ATOM 57 CA VAL A 5 2.083 18.475 3.546 1.00 31.11 C ATOM 58 C VAL A 5 2.899 17.484 2.739 1.00 61.12 C ATOM 59 O VAL A 5 2.528 17.106 1.626 1.00 42.53 O ATOM 60 CB VAL A 5 0.880 17.764 4.191 1.00 31.03 C ATOM 61 CG1 VAL A 5 0.454 18.502 5.443 1.00 20.04 C ATOM 62 CG2 VAL A 5 -0.280 17.654 3.214 1.00 12.11 C ATOM 0 H VAL A 5 0.770 19.512 2.296 1.00 40.41 H new ATOM 0 HA VAL A 5 2.694 18.876 4.354 1.00 31.11 H new ATOM 0 HB VAL A 5 1.183 16.753 4.462 1.00 31.03 H new ATOM 0 HG11 VAL A 5 -0.398 17.993 5.894 1.00 20.04 H new ATOM 0 HG12 VAL A 5 1.281 18.523 6.152 1.00 20.04 H new ATOM 0 HG13 VAL A 5 0.172 19.523 5.185 1.00 20.04 H new ATOM 0 HG21 VAL A 5 -1.116 17.148 3.697 1.00 12.11 H new ATOM 0 HG22 VAL A 5 -0.591 18.652 2.904 1.00 12.11 H new ATOM 0 HG23 VAL A 5 0.034 17.084 2.340 1.00 12.11 H new ATOM 72 N GLU A 6 4.020 17.091 3.313 1.00 55.01 N ATOM 73 CA GLU A 6 4.952 16.177 2.679 1.00 0.33 C ATOM 74 C GLU A 6 4.289 14.830 2.384 1.00 20.20 C ATOM 75 O GLU A 6 3.232 14.505 2.941 1.00 3.00 O ATOM 76 CB GLU A 6 6.169 16.001 3.586 1.00 41.55 C ATOM 77 CG GLU A 6 5.820 15.468 4.956 1.00 0.45 C ATOM 78 CD GLU A 6 7.029 15.399 5.862 1.00 32.43 C ATOM 79 OE1 GLU A 6 7.315 16.400 6.550 1.00 53.21 O ATOM 80 OE2 GLU A 6 7.708 14.352 5.880 1.00 22.23 O ATOM 0 H GLU A 6 4.312 17.399 4.240 1.00 55.01 H new ATOM 0 HA GLU A 6 5.270 16.594 1.724 1.00 0.33 H new ATOM 0 HB2 GLU A 6 6.875 15.321 3.108 1.00 41.55 H new ATOM 0 HB3 GLU A 6 6.674 16.961 3.695 1.00 41.55 H new ATOM 0 HG2 GLU A 6 5.062 16.106 5.411 1.00 0.45 H new ATOM 0 HG3 GLU A 6 5.383 14.474 4.858 1.00 0.45 H new ATOM 85 N PRO A 7 4.891 14.030 1.495 1.00 44.03 N ATOM 86 CA PRO A 7 4.323 12.752 1.088 1.00 61.33 C ATOM 87 C PRO A 7 4.417 11.701 2.187 1.00 73.10 C ATOM 88 O PRO A 7 5.379 11.671 2.958 1.00 21.33 O ATOM 89 CB PRO A 7 5.173 12.350 -0.114 1.00 35.35 C ATOM 90 CG PRO A 7 6.482 13.018 0.104 1.00 55.31 C ATOM 91 CD PRO A 7 6.177 14.302 0.826 1.00 33.21 C ATOM 0 HA PRO A 7 3.259 12.832 0.863 1.00 61.33 H new ATOM 0 HB2 PRO A 7 5.287 11.268 -0.173 1.00 35.35 H new ATOM 0 HB3 PRO A 7 4.715 12.674 -1.048 1.00 35.35 H new ATOM 0 HG2 PRO A 7 7.148 12.388 0.693 1.00 55.31 H new ATOM 0 HG3 PRO A 7 6.983 13.213 -0.844 1.00 55.31 H new ATOM 0 HD2 PRO A 7 6.957 14.552 1.545 1.00 33.21 H new ATOM 0 HD3 PRO A 7 6.099 15.141 0.135 1.00 33.21 H new ATOM 96 N ARG A 8 3.407 10.853 2.263 1.00 33.02 N ATOM 97 CA ARG A 8 3.408 9.747 3.205 1.00 42.33 C ATOM 98 C ARG A 8 3.510 8.446 2.432 1.00 32.23 C ATOM 99 O ARG A 8 2.882 8.294 1.390 1.00 55.54 O ATOM 100 CB ARG A 8 2.158 9.777 4.079 1.00 41.05 C ATOM 101 CG ARG A 8 0.863 9.833 3.296 1.00 15.54 C ATOM 102 CD ARG A 8 -0.006 10.977 3.777 1.00 33.24 C ATOM 103 NE ARG A 8 0.549 12.280 3.407 1.00 45.33 N ATOM 104 CZ ARG A 8 -0.198 13.334 3.075 1.00 61.23 C ATOM 105 NH1 ARG A 8 -1.522 13.260 3.149 1.00 13.01 N ATOM 106 NH2 ARG A 8 0.381 14.469 2.702 1.00 72.50 N ATOM 0 H ARG A 8 2.571 10.909 1.681 1.00 33.02 H new ATOM 0 HA ARG A 8 4.266 9.835 3.872 1.00 42.33 H new ATOM 0 HB2 ARG A 8 2.149 8.891 4.714 1.00 41.05 H new ATOM 0 HB3 ARG A 8 2.209 10.642 4.740 1.00 41.05 H new ATOM 0 HG2 ARG A 8 1.079 9.956 2.235 1.00 15.54 H new ATOM 0 HG3 ARG A 8 0.326 8.891 3.405 1.00 15.54 H new ATOM 0 HD2 ARG A 8 -1.006 10.875 3.354 1.00 33.24 H new ATOM 0 HD3 ARG A 8 -0.111 10.922 4.861 1.00 33.24 H new ATOM 0 HE ARG A 8 1.563 12.388 3.403 1.00 45.33 H new ATOM 0 HH11 ARG A 8 -1.968 12.397 3.460 1.00 13.01 H new ATOM 0 HH12 ARG A 8 -2.093 14.066 2.895 1.00 13.01 H new ATOM 0 HH21 ARG A 8 1.398 14.536 2.669 1.00 72.50 H new ATOM 0 HH22 ARG A 8 -0.191 15.274 2.448 1.00 72.50 H new ATOM 117 N LYS A 9 4.304 7.523 2.934 1.00 40.32 N ATOM 118 CA LYS A 9 4.686 6.353 2.162 1.00 41.50 C ATOM 119 C LYS A 9 3.691 5.203 2.312 1.00 35.52 C ATOM 120 O LYS A 9 3.031 5.059 3.341 1.00 44.34 O ATOM 121 CB LYS A 9 6.095 5.923 2.575 1.00 5.24 C ATOM 122 CG LYS A 9 6.607 4.687 1.867 1.00 12.52 C ATOM 123 CD LYS A 9 8.081 4.486 2.142 1.00 1.51 C ATOM 124 CE LYS A 9 8.630 3.308 1.365 1.00 54.51 C ATOM 125 NZ LYS A 9 10.113 3.321 1.330 1.00 31.42 N ATOM 0 H LYS A 9 4.699 7.558 3.874 1.00 40.32 H new ATOM 0 HA LYS A 9 4.678 6.621 1.106 1.00 41.50 H new ATOM 0 HB2 LYS A 9 6.783 6.747 2.384 1.00 5.24 H new ATOM 0 HB3 LYS A 9 6.105 5.741 3.650 1.00 5.24 H new ATOM 0 HG2 LYS A 9 6.047 3.813 2.200 1.00 12.52 H new ATOM 0 HG3 LYS A 9 6.442 4.782 0.794 1.00 12.52 H new ATOM 0 HD2 LYS A 9 8.630 5.389 1.874 1.00 1.51 H new ATOM 0 HD3 LYS A 9 8.235 4.324 3.209 1.00 1.51 H new ATOM 0 HE2 LYS A 9 8.284 2.379 1.819 1.00 54.51 H new ATOM 0 HE3 LYS A 9 8.241 3.330 0.347 1.00 54.51 H new ATOM 0 HZ1 LYS A 9 10.462 2.376 1.070 1.00 31.42 H new ATOM 0 HZ2 LYS A 9 10.438 4.015 0.627 1.00 31.42 H new ATOM 0 HZ3 LYS A 9 10.480 3.580 2.268 1.00 31.42 H new ATOM 135 N LEU A 10 3.584 4.406 1.258 1.00 75.55 N ATOM 136 CA LEU A 10 2.773 3.203 1.274 1.00 21.40 C ATOM 137 C LEU A 10 3.645 1.962 1.109 1.00 3.15 C ATOM 138 O LEU A 10 4.511 1.903 0.230 1.00 50.40 O ATOM 139 CB LEU A 10 1.725 3.239 0.159 1.00 65.21 C ATOM 140 CG LEU A 10 0.566 4.208 0.373 1.00 63.22 C ATOM 141 CD1 LEU A 10 -0.313 4.247 -0.865 1.00 23.24 C ATOM 142 CD2 LEU A 10 -0.249 3.796 1.589 1.00 3.12 C ATOM 0 H LEU A 10 4.057 4.577 0.371 1.00 75.55 H new ATOM 0 HA LEU A 10 2.266 3.158 2.238 1.00 21.40 H new ATOM 0 HB2 LEU A 10 2.224 3.498 -0.775 1.00 65.21 H new ATOM 0 HB3 LEU A 10 1.318 2.236 0.035 1.00 65.21 H new ATOM 0 HG LEU A 10 0.968 5.206 0.549 1.00 63.22 H new ATOM 0 HD11 LEU A 10 -1.138 4.941 -0.704 1.00 23.24 H new ATOM 0 HD12 LEU A 10 0.277 4.577 -1.720 1.00 23.24 H new ATOM 0 HD13 LEU A 10 -0.710 3.251 -1.061 1.00 23.24 H new ATOM 0 HD21 LEU A 10 -1.072 4.496 1.729 1.00 3.12 H new ATOM 0 HD22 LEU A 10 -0.648 2.793 1.437 1.00 3.12 H new ATOM 0 HD23 LEU A 10 0.388 3.803 2.473 1.00 3.12 H new ATOM 153 N VAL A 11 3.423 0.983 1.969 1.00 23.03 N ATOM 154 CA VAL A 11 4.058 -0.320 1.830 1.00 14.40 C ATOM 155 C VAL A 11 3.047 -1.320 1.302 1.00 53.22 C ATOM 156 O VAL A 11 1.916 -1.365 1.774 1.00 75.22 O ATOM 157 CB VAL A 11 4.618 -0.854 3.170 1.00 11.32 C ATOM 158 CG1 VAL A 11 5.025 -2.317 3.041 1.00 23.32 C ATOM 159 CG2 VAL A 11 5.806 -0.030 3.626 1.00 0.10 C ATOM 0 H VAL A 11 2.804 1.065 2.776 1.00 23.03 H new ATOM 0 HA VAL A 11 4.892 -0.197 1.139 1.00 14.40 H new ATOM 0 HB VAL A 11 3.827 -0.772 3.916 1.00 11.32 H new ATOM 0 HG11 VAL A 11 5.416 -2.671 3.995 1.00 23.32 H new ATOM 0 HG12 VAL A 11 4.156 -2.913 2.761 1.00 23.32 H new ATOM 0 HG13 VAL A 11 5.794 -2.414 2.275 1.00 23.32 H new ATOM 0 HG21 VAL A 11 6.182 -0.425 4.570 1.00 0.10 H new ATOM 0 HG22 VAL A 11 6.593 -0.079 2.873 1.00 0.10 H new ATOM 0 HG23 VAL A 11 5.499 1.007 3.763 1.00 0.10 H new ATOM 169 N VAL A 12 3.433 -2.105 0.318 1.00 14.33 N ATOM 170 CA VAL A 12 2.582 -3.184 -0.126 1.00 75.54 C ATOM 171 C VAL A 12 3.050 -4.490 0.503 1.00 22.43 C ATOM 172 O VAL A 12 4.090 -5.038 0.133 1.00 23.24 O ATOM 173 CB VAL A 12 2.559 -3.320 -1.660 1.00 2.22 C ATOM 174 CG1 VAL A 12 1.510 -4.336 -2.094 1.00 45.32 C ATOM 175 CG2 VAL A 12 2.311 -1.977 -2.322 1.00 25.44 C ATOM 0 H VAL A 12 4.318 -2.017 -0.182 1.00 14.33 H new ATOM 0 HA VAL A 12 1.565 -2.955 0.192 1.00 75.54 H new ATOM 0 HB VAL A 12 3.537 -3.678 -1.981 1.00 2.22 H new ATOM 0 HG11 VAL A 12 1.510 -4.417 -3.181 1.00 45.32 H new ATOM 0 HG12 VAL A 12 1.742 -5.308 -1.658 1.00 45.32 H new ATOM 0 HG13 VAL A 12 0.527 -4.011 -1.754 1.00 45.32 H new ATOM 0 HG21 VAL A 12 2.300 -2.102 -3.405 1.00 25.44 H new ATOM 0 HG22 VAL A 12 1.351 -1.581 -1.992 1.00 25.44 H new ATOM 0 HG23 VAL A 12 3.104 -1.283 -2.045 1.00 25.44 H new ATOM 185 N TYR A 13 2.294 -4.962 1.484 1.00 20.34 N ATOM 186 CA TYR A 13 2.563 -6.251 2.095 1.00 73.12 C ATOM 187 C TYR A 13 2.190 -7.347 1.126 1.00 32.51 C ATOM 188 O TYR A 13 1.346 -7.151 0.258 1.00 1.13 O ATOM 189 CB TYR A 13 1.767 -6.445 3.390 1.00 41.41 C ATOM 190 CG TYR A 13 2.257 -5.634 4.567 1.00 3.54 C ATOM 191 CD1 TYR A 13 3.596 -5.650 4.941 1.00 1.54 C ATOM 192 CD2 TYR A 13 1.371 -4.882 5.325 1.00 45.32 C ATOM 193 CE1 TYR A 13 4.038 -4.930 6.034 1.00 62.14 C ATOM 194 CE2 TYR A 13 1.807 -4.156 6.415 1.00 72.41 C ATOM 195 CZ TYR A 13 3.139 -4.183 6.767 1.00 1.04 C ATOM 196 OH TYR A 13 3.575 -3.461 7.854 1.00 43.44 O ATOM 0 H TYR A 13 1.490 -4.470 1.872 1.00 20.34 H new ATOM 0 HA TYR A 13 3.625 -6.291 2.338 1.00 73.12 H new ATOM 0 HB2 TYR A 13 0.725 -6.189 3.200 1.00 41.41 H new ATOM 0 HB3 TYR A 13 1.792 -7.501 3.660 1.00 41.41 H new ATOM 0 HD1 TYR A 13 4.301 -6.234 4.368 1.00 1.54 H new ATOM 0 HD2 TYR A 13 0.325 -4.864 5.058 1.00 45.32 H new ATOM 0 HE1 TYR A 13 5.081 -4.952 6.313 1.00 62.14 H new ATOM 0 HE2 TYR A 13 1.106 -3.569 6.990 1.00 72.41 H new ATOM 0 HH TYR A 13 2.979 -2.697 8.000 1.00 43.44 H new ATOM 205 N GLY A 14 2.816 -8.492 1.271 1.00 55.10 N ATOM 206 CA GLY A 14 2.463 -9.618 0.453 1.00 64.15 C ATOM 207 C GLY A 14 3.591 -10.600 0.333 1.00 15.10 C ATOM 208 O GLY A 14 4.354 -10.799 1.280 1.00 2.51 O ATOM 0 H GLY A 14 3.565 -8.663 1.942 1.00 55.10 H new ATOM 0 HA2 GLY A 14 1.592 -10.116 0.878 1.00 64.15 H new ATOM 0 HA3 GLY A 14 2.178 -9.270 -0.540 1.00 64.15 H new ATOM 212 N ARG A 15 3.689 -11.212 -0.828 1.00 30.54 N ATOM 213 CA ARG A 15 4.764 -12.132 -1.124 1.00 0.03 C ATOM 214 C ARG A 15 4.883 -12.304 -2.631 1.00 22.31 C ATOM 215 O ARG A 15 4.091 -11.737 -3.392 1.00 11.43 O ATOM 216 CB ARG A 15 4.550 -13.475 -0.413 1.00 2.33 C ATOM 217 CG ARG A 15 3.227 -14.145 -0.733 1.00 61.32 C ATOM 218 CD ARG A 15 3.114 -15.514 -0.072 1.00 10.33 C ATOM 219 NE ARG A 15 4.145 -16.444 -0.541 1.00 73.42 N ATOM 220 CZ ARG A 15 4.133 -17.041 -1.737 1.00 64.42 C ATOM 221 NH1 ARG A 15 3.129 -16.822 -2.582 1.00 72.22 N ATOM 222 NH2 ARG A 15 5.112 -17.871 -2.077 1.00 41.54 N ATOM 0 H ARG A 15 3.025 -11.085 -1.592 1.00 30.54 H new ATOM 0 HA ARG A 15 5.702 -11.722 -0.748 1.00 0.03 H new ATOM 0 HB2 ARG A 15 5.361 -14.150 -0.685 1.00 2.33 H new ATOM 0 HB3 ARG A 15 4.613 -13.317 0.664 1.00 2.33 H new ATOM 0 HG2 ARG A 15 2.407 -13.510 -0.397 1.00 61.32 H new ATOM 0 HG3 ARG A 15 3.125 -14.253 -1.813 1.00 61.32 H new ATOM 0 HD2 ARG A 15 3.194 -15.401 1.009 1.00 10.33 H new ATOM 0 HD3 ARG A 15 2.129 -15.934 -0.276 1.00 10.33 H new ATOM 0 HE ARG A 15 4.923 -16.649 0.086 1.00 73.42 H new ATOM 0 HH11 ARG A 15 2.367 -16.198 -2.318 1.00 72.22 H new ATOM 0 HH12 ARG A 15 3.121 -17.278 -3.494 1.00 72.22 H new ATOM 0 HH21 ARG A 15 5.875 -18.054 -1.425 1.00 41.54 H new ATOM 0 HH22 ARG A 15 5.101 -18.326 -2.990 1.00 41.54 H new ATOM 233 N GLU A 16 5.864 -13.077 -3.053 1.00 54.44 N ATOM 234 CA GLU A 16 6.219 -13.181 -4.459 1.00 61.35 C ATOM 235 C GLU A 16 5.247 -14.081 -5.221 1.00 14.32 C ATOM 236 O GLU A 16 5.198 -15.293 -5.004 1.00 30.43 O ATOM 237 CB GLU A 16 7.648 -13.709 -4.562 1.00 52.44 C ATOM 238 CG GLU A 16 8.628 -12.908 -3.722 1.00 14.13 C ATOM 239 CD GLU A 16 9.926 -13.641 -3.482 1.00 35.35 C ATOM 240 OE1 GLU A 16 9.965 -14.497 -2.572 1.00 75.23 O ATOM 241 OE2 GLU A 16 10.916 -13.362 -4.192 1.00 53.52 O ATOM 0 H GLU A 16 6.438 -13.650 -2.435 1.00 54.44 H new ATOM 0 HA GLU A 16 6.155 -12.194 -4.917 1.00 61.35 H new ATOM 0 HB2 GLU A 16 7.670 -14.751 -4.244 1.00 52.44 H new ATOM 0 HB3 GLU A 16 7.966 -13.687 -5.604 1.00 52.44 H new ATOM 0 HG2 GLU A 16 8.837 -11.961 -4.220 1.00 14.13 H new ATOM 0 HG3 GLU A 16 8.168 -12.669 -2.763 1.00 14.13 H new ATOM 246 N GLY A 17 4.467 -13.473 -6.103 1.00 5.53 N ATOM 247 CA GLY A 17 3.541 -14.224 -6.925 1.00 64.12 C ATOM 248 C GLY A 17 2.110 -13.744 -6.781 1.00 61.35 C ATOM 249 O GLY A 17 1.244 -14.487 -6.313 1.00 44.52 O ATOM 0 H GLY A 17 4.460 -12.466 -6.264 1.00 5.53 H new ATOM 0 HA2 GLY A 17 3.843 -14.146 -7.969 1.00 64.12 H new ATOM 0 HA3 GLY A 17 3.595 -15.279 -6.655 1.00 64.12 H new ATOM 253 N CYS A 18 1.858 -12.498 -7.174 1.00 13.21 N ATOM 254 CA CYS A 18 0.513 -11.931 -7.127 1.00 71.33 C ATOM 255 C CYS A 18 0.311 -10.917 -8.254 1.00 51.12 C ATOM 256 O CYS A 18 0.953 -9.865 -8.280 1.00 55.20 O ATOM 257 CB CYS A 18 0.258 -11.265 -5.773 1.00 61.32 C ATOM 258 SG CYS A 18 0.343 -12.396 -4.365 1.00 5.33 S ATOM 0 H CYS A 18 2.570 -11.860 -7.530 1.00 13.21 H new ATOM 0 HA CYS A 18 -0.200 -12.745 -7.260 1.00 71.33 H new ATOM 0 HB2 CYS A 18 0.987 -10.468 -5.629 1.00 61.32 H new ATOM 0 HB3 CYS A 18 -0.726 -10.797 -5.790 1.00 61.32 H new ATOM 0 HG CYS A 18 0.672 -13.583 -4.781 1.00 5.33 H new ATOM 263 N HIS A 19 -0.595 -11.228 -9.170 1.00 51.31 N ATOM 264 CA HIS A 19 -0.827 -10.389 -10.342 1.00 3.33 C ATOM 265 C HIS A 19 -1.514 -9.079 -9.962 1.00 3.24 C ATOM 266 O HIS A 19 -1.186 -8.026 -10.503 1.00 5.22 O ATOM 267 CB HIS A 19 -1.653 -11.140 -11.388 1.00 50.54 C ATOM 268 CG HIS A 19 -1.846 -10.379 -12.667 1.00 14.13 C ATOM 269 ND1 HIS A 19 -0.803 -9.823 -13.377 1.00 21.03 N ATOM 270 CD2 HIS A 19 -2.969 -10.082 -13.359 1.00 60.11 C ATOM 271 CE1 HIS A 19 -1.278 -9.214 -14.448 1.00 43.30 C ATOM 272 NE2 HIS A 19 -2.592 -9.357 -14.462 1.00 34.21 N ATOM 0 H HIS A 19 -1.185 -12.059 -9.125 1.00 51.31 H new ATOM 0 HA HIS A 19 0.145 -10.146 -10.772 1.00 3.33 H new ATOM 0 HB2 HIS A 19 -1.164 -12.089 -11.611 1.00 50.54 H new ATOM 0 HB3 HIS A 19 -2.630 -11.376 -10.965 1.00 50.54 H new ATOM 0 HD1 HIS A 19 0.182 -9.874 -13.116 1.00 21.03 H new ATOM 0 HD2 HIS A 19 -3.977 -10.363 -13.093 1.00 60.11 H new ATOM 0 HE1 HIS A 19 -0.692 -8.688 -15.187 1.00 43.30 H new ATOM 279 N LEU A 20 -2.460 -9.145 -9.026 1.00 55.30 N ATOM 280 CA LEU A 20 -3.147 -7.939 -8.555 1.00 45.21 C ATOM 281 C LEU A 20 -2.160 -6.948 -7.958 1.00 33.32 C ATOM 282 O LEU A 20 -2.367 -5.737 -8.018 1.00 31.24 O ATOM 283 CB LEU A 20 -4.241 -8.269 -7.534 1.00 62.22 C ATOM 284 CG LEU A 20 -5.530 -8.849 -8.121 1.00 13.35 C ATOM 285 CD1 LEU A 20 -6.623 -8.894 -7.065 1.00 10.21 C ATOM 286 CD2 LEU A 20 -5.983 -8.026 -9.318 1.00 20.01 C ATOM 0 H LEU A 20 -2.767 -10.010 -8.582 1.00 55.30 H new ATOM 0 HA LEU A 20 -3.623 -7.484 -9.424 1.00 45.21 H new ATOM 0 HB2 LEU A 20 -3.839 -8.979 -6.812 1.00 62.22 H new ATOM 0 HB3 LEU A 20 -4.488 -7.361 -6.984 1.00 62.22 H new ATOM 0 HG LEU A 20 -5.331 -9.867 -8.454 1.00 13.35 H new ATOM 0 HD11 LEU A 20 -7.532 -9.309 -7.500 1.00 10.21 H new ATOM 0 HD12 LEU A 20 -6.300 -9.520 -6.233 1.00 10.21 H new ATOM 0 HD13 LEU A 20 -6.822 -7.885 -6.704 1.00 10.21 H new ATOM 0 HD21 LEU A 20 -6.901 -8.450 -9.725 1.00 20.01 H new ATOM 0 HD22 LEU A 20 -6.166 -6.998 -9.005 1.00 20.01 H new ATOM 0 HD23 LEU A 20 -5.207 -8.039 -10.083 1.00 20.01 H new ATOM 297 N CYS A 21 -1.090 -7.469 -7.371 1.00 60.03 N ATOM 298 CA CYS A 21 -0.046 -6.622 -6.821 1.00 34.14 C ATOM 299 C CYS A 21 0.567 -5.776 -7.935 1.00 22.45 C ATOM 300 O CYS A 21 0.735 -4.569 -7.782 1.00 51.15 O ATOM 301 CB CYS A 21 1.033 -7.467 -6.134 1.00 52.22 C ATOM 302 SG CYS A 21 2.246 -6.501 -5.202 1.00 30.25 S ATOM 0 H CYS A 21 -0.925 -8.470 -7.265 1.00 60.03 H new ATOM 0 HA CYS A 21 -0.485 -5.963 -6.072 1.00 34.14 H new ATOM 0 HB2 CYS A 21 0.551 -8.173 -5.458 1.00 52.22 H new ATOM 0 HB3 CYS A 21 1.555 -8.054 -6.889 1.00 52.22 H new ATOM 0 HG CYS A 21 3.113 -7.302 -4.658 1.00 30.25 H new ATOM 307 N GLU A 22 0.864 -6.426 -9.064 1.00 53.22 N ATOM 308 CA GLU A 22 1.424 -5.747 -10.232 1.00 2.33 C ATOM 309 C GLU A 22 0.469 -4.678 -10.743 1.00 41.55 C ATOM 310 O GLU A 22 0.864 -3.540 -11.002 1.00 15.32 O ATOM 311 CB GLU A 22 1.672 -6.743 -11.365 1.00 2.32 C ATOM 312 CG GLU A 22 2.461 -7.970 -10.966 1.00 32.54 C ATOM 313 CD GLU A 22 2.581 -8.947 -12.115 1.00 21.33 C ATOM 314 OE1 GLU A 22 1.645 -9.752 -12.316 1.00 11.03 O ATOM 315 OE2 GLU A 22 3.597 -8.895 -12.837 1.00 42.05 O ATOM 0 H GLU A 22 0.724 -7.428 -9.192 1.00 53.22 H new ATOM 0 HA GLU A 22 2.364 -5.289 -9.924 1.00 2.33 H new ATOM 0 HB2 GLU A 22 0.710 -7.061 -11.768 1.00 2.32 H new ATOM 0 HB3 GLU A 22 2.202 -6.233 -12.170 1.00 2.32 H new ATOM 0 HG2 GLU A 22 3.456 -7.673 -10.634 1.00 32.54 H new ATOM 0 HG3 GLU A 22 1.975 -8.458 -10.121 1.00 32.54 H new ATOM 320 N GLU A 23 -0.794 -5.061 -10.880 1.00 73.10 N ATOM 321 CA GLU A 23 -1.808 -4.194 -11.461 1.00 53.32 C ATOM 322 C GLU A 23 -2.025 -2.944 -10.621 1.00 60.33 C ATOM 323 O GLU A 23 -2.209 -1.852 -11.163 1.00 21.23 O ATOM 324 CB GLU A 23 -3.119 -4.962 -11.636 1.00 55.21 C ATOM 325 CG GLU A 23 -2.944 -6.232 -12.446 1.00 72.32 C ATOM 326 CD GLU A 23 -4.250 -6.890 -12.824 1.00 31.53 C ATOM 327 OE1 GLU A 23 -4.838 -6.497 -13.848 1.00 63.02 O ATOM 328 OE2 GLU A 23 -4.669 -7.832 -12.127 1.00 35.44 O ATOM 0 H GLU A 23 -1.142 -5.976 -10.593 1.00 73.10 H new ATOM 0 HA GLU A 23 -1.454 -3.871 -12.440 1.00 53.32 H new ATOM 0 HB2 GLU A 23 -3.523 -5.213 -10.655 1.00 55.21 H new ATOM 0 HB3 GLU A 23 -3.850 -4.320 -12.127 1.00 55.21 H new ATOM 0 HG2 GLU A 23 -2.387 -6.001 -13.354 1.00 72.32 H new ATOM 0 HG3 GLU A 23 -2.342 -6.938 -11.874 1.00 72.32 H new ATOM 333 N MET A 24 -1.985 -3.094 -9.301 1.00 34.53 N ATOM 334 CA MET A 24 -2.125 -1.944 -8.418 1.00 74.40 C ATOM 335 C MET A 24 -0.876 -1.076 -8.457 1.00 25.20 C ATOM 336 O MET A 24 -0.956 0.126 -8.240 1.00 61.21 O ATOM 337 CB MET A 24 -2.432 -2.352 -6.975 1.00 30.31 C ATOM 338 CG MET A 24 -3.833 -2.903 -6.791 1.00 70.55 C ATOM 339 SD MET A 24 -4.383 -2.877 -5.072 1.00 64.32 S ATOM 340 CE MET A 24 -4.314 -1.129 -4.678 1.00 12.31 C ATOM 0 H MET A 24 -1.859 -3.987 -8.825 1.00 34.53 H new ATOM 0 HA MET A 24 -2.974 -1.368 -8.786 1.00 74.40 H new ATOM 0 HB2 MET A 24 -1.709 -3.103 -6.656 1.00 30.31 H new ATOM 0 HB3 MET A 24 -2.301 -1.487 -6.325 1.00 30.31 H new ATOM 0 HG2 MET A 24 -4.528 -2.322 -7.398 1.00 70.55 H new ATOM 0 HG3 MET A 24 -3.866 -3.928 -7.161 1.00 70.55 H new ATOM 0 HE1 MET A 24 -5.168 -0.863 -4.055 1.00 12.31 H new ATOM 0 HE2 MET A 24 -3.391 -0.913 -4.140 1.00 12.31 H new ATOM 0 HE3 MET A 24 -4.342 -0.547 -5.599 1.00 12.31 H new ATOM 348 N ILE A 25 0.275 -1.679 -8.744 1.00 60.42 N ATOM 349 CA ILE A 25 1.509 -0.915 -8.898 1.00 30.22 C ATOM 350 C ILE A 25 1.351 0.111 -10.016 1.00 43.10 C ATOM 351 O ILE A 25 1.691 1.281 -9.849 1.00 62.24 O ATOM 352 CB ILE A 25 2.728 -1.828 -9.188 1.00 65.32 C ATOM 353 CG1 ILE A 25 3.071 -2.668 -7.951 1.00 32.43 C ATOM 354 CG2 ILE A 25 3.932 -1.003 -9.631 1.00 70.45 C ATOM 355 CD1 ILE A 25 4.213 -3.636 -8.173 1.00 62.44 C ATOM 0 H ILE A 25 0.379 -2.685 -8.874 1.00 60.42 H new ATOM 0 HA ILE A 25 1.698 -0.405 -7.953 1.00 30.22 H new ATOM 0 HB ILE A 25 2.465 -2.503 -10.003 1.00 65.32 H new ATOM 0 HG12 ILE A 25 3.327 -2.000 -7.128 1.00 32.43 H new ATOM 0 HG13 ILE A 25 2.187 -3.227 -7.645 1.00 32.43 H new ATOM 0 HG21 ILE A 25 4.774 -1.666 -9.829 1.00 70.45 H new ATOM 0 HG22 ILE A 25 3.682 -0.453 -10.538 1.00 70.45 H new ATOM 0 HG23 ILE A 25 4.201 -0.300 -8.843 1.00 70.45 H new ATOM 0 HD11 ILE A 25 4.399 -4.195 -7.256 1.00 62.44 H new ATOM 0 HD12 ILE A 25 3.953 -4.328 -8.974 1.00 62.44 H new ATOM 0 HD13 ILE A 25 5.111 -3.083 -8.449 1.00 62.44 H new ATOM 366 N ALA A 26 0.798 -0.330 -11.139 1.00 41.21 N ATOM 367 CA ALA A 26 0.542 0.555 -12.268 1.00 33.24 C ATOM 368 C ALA A 26 -0.421 1.670 -11.873 1.00 11.10 C ATOM 369 O ALA A 26 -0.226 2.832 -12.234 1.00 64.31 O ATOM 370 CB ALA A 26 -0.004 -0.240 -13.445 1.00 43.24 C ATOM 0 H ALA A 26 0.517 -1.299 -11.292 1.00 41.21 H new ATOM 0 HA ALA A 26 1.483 1.016 -12.569 1.00 33.24 H new ATOM 0 HB1 ALA A 26 -0.191 0.432 -14.282 1.00 43.24 H new ATOM 0 HB2 ALA A 26 0.723 -0.996 -13.742 1.00 43.24 H new ATOM 0 HB3 ALA A 26 -0.935 -0.726 -13.155 1.00 43.24 H new ATOM 376 N SER A 27 -1.451 1.309 -11.112 1.00 11.15 N ATOM 377 CA SER A 27 -2.428 2.276 -10.627 1.00 53.23 C ATOM 378 C SER A 27 -1.775 3.268 -9.663 1.00 73.33 C ATOM 379 O SER A 27 -2.021 4.474 -9.728 1.00 72.31 O ATOM 380 CB SER A 27 -3.576 1.540 -9.932 1.00 42.52 C ATOM 381 OG SER A 27 -4.151 0.568 -10.792 1.00 70.11 O ATOM 0 H SER A 27 -1.630 0.349 -10.818 1.00 11.15 H new ATOM 0 HA SER A 27 -2.820 2.836 -11.476 1.00 53.23 H new ATOM 0 HB2 SER A 27 -3.208 1.058 -9.026 1.00 42.52 H new ATOM 0 HB3 SER A 27 -4.339 2.256 -9.625 1.00 42.52 H new ATOM 0 HG SER A 27 -3.551 -0.204 -10.861 1.00 70.11 H new ATOM 386 N LEU A 28 -0.925 2.754 -8.780 1.00 3.00 N ATOM 387 CA LEU A 28 -0.245 3.583 -7.795 1.00 51.41 C ATOM 388 C LEU A 28 0.744 4.528 -8.463 1.00 1.45 C ATOM 389 O LEU A 28 0.963 5.636 -7.988 1.00 20.30 O ATOM 390 CB LEU A 28 0.469 2.720 -6.751 1.00 4.14 C ATOM 391 CG LEU A 28 -0.455 1.856 -5.886 1.00 74.04 C ATOM 392 CD1 LEU A 28 0.345 1.081 -4.856 1.00 34.52 C ATOM 393 CD2 LEU A 28 -1.519 2.711 -5.203 1.00 31.12 C ATOM 0 H LEU A 28 -0.691 1.763 -8.728 1.00 3.00 H new ATOM 0 HA LEU A 28 -1.003 4.181 -7.289 1.00 51.41 H new ATOM 0 HB2 LEU A 28 1.177 2.069 -7.263 1.00 4.14 H new ATOM 0 HB3 LEU A 28 1.049 3.372 -6.098 1.00 4.14 H new ATOM 0 HG LEU A 28 -0.958 1.143 -6.539 1.00 74.04 H new ATOM 0 HD11 LEU A 28 -0.330 0.474 -4.252 1.00 34.52 H new ATOM 0 HD12 LEU A 28 1.060 0.433 -5.363 1.00 34.52 H new ATOM 0 HD13 LEU A 28 0.880 1.778 -4.211 1.00 34.52 H new ATOM 0 HD21 LEU A 28 -2.162 2.075 -4.595 1.00 31.12 H new ATOM 0 HD22 LEU A 28 -1.036 3.453 -4.567 1.00 31.12 H new ATOM 0 HD23 LEU A 28 -2.119 3.217 -5.959 1.00 31.12 H new ATOM 404 N ARG A 29 1.332 4.093 -9.572 1.00 23.15 N ATOM 405 CA ARG A 29 2.214 4.958 -10.343 1.00 33.15 C ATOM 406 C ARG A 29 1.444 6.163 -10.862 1.00 3.42 C ATOM 407 O ARG A 29 1.918 7.294 -10.797 1.00 54.43 O ATOM 408 CB ARG A 29 2.850 4.209 -11.516 1.00 52.24 C ATOM 409 CG ARG A 29 3.824 3.118 -11.106 1.00 33.53 C ATOM 410 CD ARG A 29 4.881 3.629 -10.132 1.00 71.54 C ATOM 411 NE ARG A 29 5.474 4.895 -10.566 1.00 35.50 N ATOM 412 CZ ARG A 29 6.766 5.059 -10.832 1.00 2.35 C ATOM 413 NH1 ARG A 29 7.601 4.031 -10.787 1.00 65.44 N ATOM 414 NH2 ARG A 29 7.222 6.260 -11.161 1.00 62.15 N ATOM 0 H ARG A 29 1.215 3.154 -9.954 1.00 23.15 H new ATOM 0 HA ARG A 29 3.012 5.292 -9.680 1.00 33.15 H new ATOM 0 HB2 ARG A 29 2.059 3.765 -12.120 1.00 52.24 H new ATOM 0 HB3 ARG A 29 3.371 4.926 -12.150 1.00 52.24 H new ATOM 0 HG2 ARG A 29 3.275 2.296 -10.646 1.00 33.53 H new ATOM 0 HG3 ARG A 29 4.313 2.717 -11.994 1.00 33.53 H new ATOM 0 HD2 ARG A 29 4.431 3.760 -9.148 1.00 71.54 H new ATOM 0 HD3 ARG A 29 5.666 2.880 -10.026 1.00 71.54 H new ATOM 0 HE ARG A 29 4.858 5.701 -10.671 1.00 35.50 H new ATOM 0 HH11 ARG A 29 7.254 3.102 -10.546 1.00 65.44 H new ATOM 0 HH12 ARG A 29 8.591 4.168 -10.993 1.00 65.44 H new ATOM 0 HH21 ARG A 29 6.582 7.053 -11.209 1.00 62.15 H new ATOM 0 HH22 ARG A 29 8.213 6.391 -11.366 1.00 62.15 H new ATOM 425 N VAL A 30 0.246 5.904 -11.372 1.00 53.44 N ATOM 426 CA VAL A 30 -0.627 6.966 -11.857 1.00 31.23 C ATOM 427 C VAL A 30 -1.014 7.901 -10.717 1.00 51.45 C ATOM 428 O VAL A 30 -1.031 9.124 -10.879 1.00 52.02 O ATOM 429 CB VAL A 30 -1.906 6.394 -12.512 1.00 34.12 C ATOM 430 CG1 VAL A 30 -2.799 7.512 -13.027 1.00 4.44 C ATOM 431 CG2 VAL A 30 -1.549 5.437 -13.638 1.00 5.55 C ATOM 0 H VAL A 30 -0.144 4.966 -11.461 1.00 53.44 H new ATOM 0 HA VAL A 30 -0.073 7.523 -12.612 1.00 31.23 H new ATOM 0 HB VAL A 30 -2.457 5.842 -11.751 1.00 34.12 H new ATOM 0 HG11 VAL A 30 -3.692 7.084 -13.483 1.00 4.44 H new ATOM 0 HG12 VAL A 30 -3.089 8.157 -12.198 1.00 4.44 H new ATOM 0 HG13 VAL A 30 -2.257 8.097 -13.770 1.00 4.44 H new ATOM 0 HG21 VAL A 30 -2.462 5.045 -14.086 1.00 5.55 H new ATOM 0 HG22 VAL A 30 -0.971 5.966 -14.396 1.00 5.55 H new ATOM 0 HG23 VAL A 30 -0.957 4.612 -13.241 1.00 5.55 H new ATOM 441 N LEU A 31 -1.308 7.326 -9.557 1.00 54.52 N ATOM 442 CA LEU A 31 -1.678 8.117 -8.392 1.00 32.45 C ATOM 443 C LEU A 31 -0.476 8.924 -7.895 1.00 44.32 C ATOM 444 O LEU A 31 -0.635 10.047 -7.427 1.00 3.01 O ATOM 445 CB LEU A 31 -2.215 7.215 -7.277 1.00 45.24 C ATOM 446 CG LEU A 31 -3.493 7.712 -6.585 1.00 71.23 C ATOM 447 CD1 LEU A 31 -3.933 6.736 -5.506 1.00 21.41 C ATOM 448 CD2 LEU A 31 -3.286 9.093 -5.984 1.00 31.21 C ATOM 0 H LEU A 31 -1.297 6.318 -9.399 1.00 54.52 H new ATOM 0 HA LEU A 31 -2.467 8.811 -8.682 1.00 32.45 H new ATOM 0 HB2 LEU A 31 -2.409 6.227 -7.694 1.00 45.24 H new ATOM 0 HB3 LEU A 31 -1.437 7.096 -6.523 1.00 45.24 H new ATOM 0 HG LEU A 31 -4.276 7.778 -7.340 1.00 71.23 H new ATOM 0 HD11 LEU A 31 -4.840 7.107 -5.028 1.00 21.41 H new ATOM 0 HD12 LEU A 31 -4.131 5.763 -5.955 1.00 21.41 H new ATOM 0 HD13 LEU A 31 -3.144 6.638 -4.760 1.00 21.41 H new ATOM 0 HD21 LEU A 31 -4.206 9.421 -5.500 1.00 31.21 H new ATOM 0 HD22 LEU A 31 -2.483 9.053 -5.248 1.00 31.21 H new ATOM 0 HD23 LEU A 31 -3.020 9.797 -6.773 1.00 31.21 H new ATOM 459 N GLN A 32 0.723 8.359 -8.028 1.00 50.10 N ATOM 460 CA GLN A 32 1.958 9.049 -7.648 1.00 42.41 C ATOM 461 C GLN A 32 2.158 10.326 -8.461 1.00 51.41 C ATOM 462 O GLN A 32 2.908 11.217 -8.060 1.00 61.31 O ATOM 463 CB GLN A 32 3.173 8.132 -7.817 1.00 13.23 C ATOM 464 CG GLN A 32 3.498 7.295 -6.588 1.00 3.00 C ATOM 465 CD GLN A 32 4.711 6.404 -6.801 1.00 22.34 C ATOM 466 OE1 GLN A 32 5.581 6.708 -7.613 1.00 23.41 O ATOM 467 NE2 GLN A 32 4.804 5.317 -6.047 1.00 13.04 N ATOM 0 H GLN A 32 0.867 7.420 -8.398 1.00 50.10 H new ATOM 0 HA GLN A 32 1.863 9.321 -6.597 1.00 42.41 H new ATOM 0 HB2 GLN A 32 2.996 7.465 -8.661 1.00 13.23 H new ATOM 0 HB3 GLN A 32 4.042 8.741 -8.068 1.00 13.23 H new ATOM 0 HG2 GLN A 32 3.679 7.955 -5.739 1.00 3.00 H new ATOM 0 HG3 GLN A 32 2.637 6.677 -6.334 1.00 3.00 H new ATOM 0 HE21 GLN A 32 4.064 5.093 -5.382 1.00 13.04 H new ATOM 0 HE22 GLN A 32 5.616 4.705 -6.132 1.00 13.04 H new ATOM 474 N LYS A 33 1.500 10.407 -9.612 1.00 71.42 N ATOM 475 CA LYS A 33 1.574 11.595 -10.451 1.00 21.03 C ATOM 476 C LYS A 33 0.669 12.695 -9.908 1.00 41.32 C ATOM 477 O LYS A 33 0.809 13.866 -10.259 1.00 55.45 O ATOM 478 CB LYS A 33 1.196 11.254 -11.885 1.00 50.12 C ATOM 479 CG LYS A 33 2.068 10.166 -12.474 1.00 32.15 C ATOM 480 CD LYS A 33 1.889 10.063 -13.970 1.00 20.05 C ATOM 481 CE LYS A 33 0.467 9.673 -14.351 1.00 52.34 C ATOM 482 NZ LYS A 33 0.314 9.497 -15.818 1.00 61.44 N ATOM 0 H LYS A 33 0.910 9.663 -9.985 1.00 71.42 H new ATOM 0 HA LYS A 33 2.601 11.961 -10.439 1.00 21.03 H new ATOM 0 HB2 LYS A 33 0.154 10.936 -11.916 1.00 50.12 H new ATOM 0 HB3 LYS A 33 1.274 12.150 -12.500 1.00 50.12 H new ATOM 0 HG2 LYS A 33 3.114 10.372 -12.245 1.00 32.15 H new ATOM 0 HG3 LYS A 33 1.823 9.211 -12.010 1.00 32.15 H new ATOM 0 HD2 LYS A 33 2.138 11.019 -14.431 1.00 20.05 H new ATOM 0 HD3 LYS A 33 2.586 9.325 -14.368 1.00 20.05 H new ATOM 0 HE2 LYS A 33 0.197 8.747 -13.844 1.00 52.34 H new ATOM 0 HE3 LYS A 33 -0.225 10.440 -14.003 1.00 52.34 H new ATOM 0 HZ1 LYS A 33 -0.668 9.232 -16.035 1.00 61.44 H new ATOM 0 HZ2 LYS A 33 0.547 10.388 -16.301 1.00 61.44 H new ATOM 0 HZ3 LYS A 33 0.956 8.747 -16.146 1.00 61.44 H new ATOM 492 N LYS A 34 -0.263 12.300 -9.052 1.00 54.44 N ATOM 493 CA LYS A 34 -1.150 13.239 -8.382 1.00 62.54 C ATOM 494 C LYS A 34 -0.634 13.513 -6.975 1.00 21.52 C ATOM 495 O LYS A 34 -0.561 14.656 -6.528 1.00 74.14 O ATOM 496 CB LYS A 34 -2.568 12.667 -8.302 1.00 73.34 C ATOM 497 CG LYS A 34 -3.231 12.462 -9.651 1.00 10.31 C ATOM 498 CD LYS A 34 -4.525 11.675 -9.505 1.00 40.42 C ATOM 499 CE LYS A 34 -5.202 11.439 -10.844 1.00 55.43 C ATOM 500 NZ LYS A 34 -5.836 12.671 -11.385 1.00 3.14 N ATOM 0 H LYS A 34 -0.425 11.324 -8.804 1.00 54.44 H new ATOM 0 HA LYS A 34 -1.175 14.168 -8.952 1.00 62.54 H new ATOM 0 HB2 LYS A 34 -2.534 11.712 -7.777 1.00 73.34 H new ATOM 0 HB3 LYS A 34 -3.185 13.337 -7.704 1.00 73.34 H new ATOM 0 HG2 LYS A 34 -3.438 13.429 -10.110 1.00 10.31 H new ATOM 0 HG3 LYS A 34 -2.551 11.932 -10.318 1.00 10.31 H new ATOM 0 HD2 LYS A 34 -4.315 10.716 -9.031 1.00 40.42 H new ATOM 0 HD3 LYS A 34 -5.205 12.214 -8.845 1.00 40.42 H new ATOM 0 HE2 LYS A 34 -4.467 11.068 -11.559 1.00 55.43 H new ATOM 0 HE3 LYS A 34 -5.959 10.663 -10.733 1.00 55.43 H new ATOM 0 HZ1 LYS A 34 -6.284 12.458 -12.299 1.00 3.14 H new ATOM 0 HZ2 LYS A 34 -6.557 13.013 -10.717 1.00 3.14 H new ATOM 0 HZ3 LYS A 34 -5.111 13.405 -11.517 1.00 3.14 H new ATOM 510 N SER A 35 -0.272 12.441 -6.284 1.00 43.23 N ATOM 511 CA SER A 35 0.221 12.514 -4.919 1.00 0.33 C ATOM 512 C SER A 35 1.293 11.448 -4.705 1.00 12.52 C ATOM 513 O SER A 35 1.047 10.263 -4.924 1.00 71.11 O ATOM 514 CB SER A 35 -0.938 12.312 -3.936 1.00 22.42 C ATOM 515 OG SER A 35 -1.978 13.247 -4.180 1.00 41.32 O ATOM 0 H SER A 35 -0.313 11.493 -6.658 1.00 43.23 H new ATOM 0 HA SER A 35 0.660 13.496 -4.743 1.00 0.33 H new ATOM 0 HB2 SER A 35 -1.326 11.298 -4.029 1.00 22.42 H new ATOM 0 HB3 SER A 35 -0.577 12.423 -2.914 1.00 22.42 H new ATOM 0 HG SER A 35 -2.707 13.099 -3.542 1.00 41.32 H new ATOM 520 N TRP A 36 2.482 11.871 -4.301 1.00 2.42 N ATOM 521 CA TRP A 36 3.592 10.948 -4.112 1.00 3.35 C ATOM 522 C TRP A 36 3.453 10.203 -2.787 1.00 72.53 C ATOM 523 O TRP A 36 3.133 10.803 -1.760 1.00 33.20 O ATOM 524 CB TRP A 36 4.920 11.708 -4.157 1.00 25.14 C ATOM 525 CG TRP A 36 6.123 10.817 -4.235 1.00 11.25 C ATOM 526 CD1 TRP A 36 6.904 10.395 -3.200 1.00 43.02 C ATOM 527 CD2 TRP A 36 6.689 10.251 -5.424 1.00 70.11 C ATOM 528 NE1 TRP A 36 7.922 9.603 -3.673 1.00 62.30 N ATOM 529 CE2 TRP A 36 7.812 9.499 -5.034 1.00 30.31 C ATOM 530 CE3 TRP A 36 6.356 10.310 -6.781 1.00 71.05 C ATOM 531 CZ2 TRP A 36 8.603 8.812 -5.953 1.00 62.11 C ATOM 532 CZ3 TRP A 36 7.138 9.626 -7.690 1.00 34.04 C ATOM 533 CH2 TRP A 36 8.252 8.884 -7.273 1.00 53.34 C ATOM 0 H TRP A 36 2.703 12.846 -4.098 1.00 2.42 H new ATOM 0 HA TRP A 36 3.576 10.216 -4.920 1.00 3.35 H new ATOM 0 HB2 TRP A 36 4.917 12.376 -5.019 1.00 25.14 H new ATOM 0 HB3 TRP A 36 5.000 12.334 -3.269 1.00 25.14 H new ATOM 0 HD1 TRP A 36 6.746 10.646 -2.162 1.00 43.02 H new ATOM 0 HE1 TRP A 36 8.644 9.163 -3.102 1.00 62.30 H new ATOM 0 HE3 TRP A 36 5.501 10.881 -7.112 1.00 71.05 H new ATOM 0 HZ2 TRP A 36 9.463 8.242 -5.634 1.00 62.11 H new ATOM 0 HZ3 TRP A 36 6.887 9.663 -8.740 1.00 34.04 H new ATOM 0 HH2 TRP A 36 8.844 8.359 -8.008 1.00 53.34 H new ATOM 543 N PHE A 37 3.682 8.895 -2.816 1.00 44.31 N ATOM 544 CA PHE A 37 3.611 8.081 -1.606 1.00 3.24 C ATOM 545 C PHE A 37 4.627 6.944 -1.635 1.00 74.11 C ATOM 546 O PHE A 37 4.563 6.026 -0.819 1.00 21.20 O ATOM 547 CB PHE A 37 2.190 7.523 -1.410 1.00 30.04 C ATOM 548 CG PHE A 37 1.555 6.950 -2.652 1.00 2.50 C ATOM 549 CD1 PHE A 37 1.950 5.722 -3.163 1.00 53.21 C ATOM 550 CD2 PHE A 37 0.550 7.643 -3.305 1.00 31.11 C ATOM 551 CE1 PHE A 37 1.358 5.205 -4.296 1.00 23.32 C ATOM 552 CE2 PHE A 37 -0.048 7.128 -4.436 1.00 14.44 C ATOM 553 CZ PHE A 37 0.358 5.909 -4.933 1.00 63.21 C ATOM 0 H PHE A 37 3.918 8.376 -3.662 1.00 44.31 H new ATOM 0 HA PHE A 37 3.855 8.726 -0.762 1.00 3.24 H new ATOM 0 HB2 PHE A 37 2.223 6.747 -0.645 1.00 30.04 H new ATOM 0 HB3 PHE A 37 1.552 8.320 -1.028 1.00 30.04 H new ATOM 0 HD1 PHE A 37 2.731 5.164 -2.667 1.00 53.21 H new ATOM 0 HD2 PHE A 37 0.230 8.601 -2.923 1.00 31.11 H new ATOM 0 HE1 PHE A 37 1.677 4.249 -4.684 1.00 23.32 H new ATOM 0 HE2 PHE A 37 -0.833 7.680 -4.931 1.00 14.44 H new ATOM 0 HZ PHE A 37 -0.106 5.505 -5.821 1.00 63.21 H new ATOM 562 N GLU A 38 5.581 7.032 -2.556 1.00 12.34 N ATOM 563 CA GLU A 38 6.564 5.967 -2.767 1.00 45.35 C ATOM 564 C GLU A 38 5.880 4.629 -3.030 1.00 11.35 C ATOM 565 O GLU A 38 4.665 4.548 -3.196 1.00 53.52 O ATOM 566 CB GLU A 38 7.520 5.823 -1.575 1.00 51.05 C ATOM 567 CG GLU A 38 8.384 7.042 -1.334 1.00 5.35 C ATOM 568 CD GLU A 38 9.754 6.682 -0.792 1.00 40.21 C ATOM 569 OE1 GLU A 38 9.867 5.691 -0.046 1.00 22.24 O ATOM 570 OE2 GLU A 38 10.728 7.378 -1.132 1.00 23.54 O ATOM 0 H GLU A 38 5.697 7.835 -3.174 1.00 12.34 H new ATOM 0 HA GLU A 38 7.146 6.252 -3.643 1.00 45.35 H new ATOM 0 HB2 GLU A 38 6.937 5.619 -0.677 1.00 51.05 H new ATOM 0 HB3 GLU A 38 8.164 4.959 -1.740 1.00 51.05 H new ATOM 0 HG2 GLU A 38 8.499 7.593 -2.268 1.00 5.35 H new ATOM 0 HG3 GLU A 38 7.882 7.707 -0.631 1.00 5.35 H new ATOM 575 N LEU A 39 6.677 3.587 -3.126 1.00 35.03 N ATOM 576 CA LEU A 39 6.148 2.242 -3.262 1.00 40.43 C ATOM 577 C LEU A 39 7.114 1.227 -2.653 1.00 40.31 C ATOM 578 O LEU A 39 8.202 1.002 -3.180 1.00 43.24 O ATOM 579 CB LEU A 39 5.870 1.940 -4.738 1.00 73.45 C ATOM 580 CG LEU A 39 4.893 0.795 -5.000 1.00 35.35 C ATOM 581 CD1 LEU A 39 3.741 0.841 -4.013 1.00 11.41 C ATOM 582 CD2 LEU A 39 4.357 0.889 -6.419 1.00 33.11 C ATOM 0 H LEU A 39 7.695 3.643 -3.113 1.00 35.03 H new ATOM 0 HA LEU A 39 5.207 2.167 -2.718 1.00 40.43 H new ATOM 0 HB2 LEU A 39 5.480 2.843 -5.209 1.00 73.45 H new ATOM 0 HB3 LEU A 39 6.815 1.708 -5.228 1.00 73.45 H new ATOM 0 HG LEU A 39 5.423 -0.149 -4.874 1.00 35.35 H new ATOM 0 HD11 LEU A 39 3.056 0.018 -4.215 1.00 11.41 H new ATOM 0 HD12 LEU A 39 4.128 0.750 -2.998 1.00 11.41 H new ATOM 0 HD13 LEU A 39 3.211 1.788 -4.116 1.00 11.41 H new ATOM 0 HD21 LEU A 39 3.661 0.070 -6.600 1.00 33.11 H new ATOM 0 HD22 LEU A 39 3.841 1.840 -6.551 1.00 33.11 H new ATOM 0 HD23 LEU A 39 5.185 0.825 -7.126 1.00 33.11 H new ATOM 593 N GLU A 40 6.724 0.638 -1.531 1.00 62.45 N ATOM 594 CA GLU A 40 7.569 -0.330 -0.843 1.00 11.31 C ATOM 595 C GLU A 40 6.993 -1.731 -0.992 1.00 35.23 C ATOM 596 O GLU A 40 5.777 -1.902 -1.049 1.00 32.41 O ATOM 597 CB GLU A 40 7.668 0.012 0.645 1.00 72.51 C ATOM 598 CG GLU A 40 8.760 -0.739 1.387 1.00 23.32 C ATOM 599 CD GLU A 40 10.145 -0.211 1.080 1.00 4.44 C ATOM 600 OE1 GLU A 40 10.591 0.725 1.776 1.00 75.24 O ATOM 601 OE2 GLU A 40 10.792 -0.727 0.150 1.00 64.04 O ATOM 0 H GLU A 40 5.828 0.813 -1.077 1.00 62.45 H new ATOM 0 HA GLU A 40 8.562 -0.294 -1.291 1.00 11.31 H new ATOM 0 HB2 GLU A 40 7.844 1.083 0.749 1.00 72.51 H new ATOM 0 HB3 GLU A 40 6.710 -0.201 1.119 1.00 72.51 H new ATOM 0 HG2 GLU A 40 8.579 -0.669 2.460 1.00 23.32 H new ATOM 0 HG3 GLU A 40 8.712 -1.796 1.124 1.00 23.32 H new ATOM 606 N VAL A 41 7.869 -2.723 -1.050 1.00 53.51 N ATOM 607 CA VAL A 41 7.455 -4.117 -1.108 1.00 64.52 C ATOM 608 C VAL A 41 8.089 -4.887 0.044 1.00 11.13 C ATOM 609 O VAL A 41 9.308 -4.849 0.227 1.00 11.54 O ATOM 610 CB VAL A 41 7.855 -4.783 -2.446 1.00 72.14 C ATOM 611 CG1 VAL A 41 7.379 -6.229 -2.495 1.00 73.45 C ATOM 612 CG2 VAL A 41 7.301 -3.998 -3.628 1.00 73.33 C ATOM 0 H VAL A 41 8.880 -2.586 -1.058 1.00 53.51 H new ATOM 0 HA VAL A 41 6.368 -4.142 -1.030 1.00 64.52 H new ATOM 0 HB VAL A 41 8.943 -4.779 -2.512 1.00 72.14 H new ATOM 0 HG11 VAL A 41 7.672 -6.676 -3.445 1.00 73.45 H new ATOM 0 HG12 VAL A 41 7.831 -6.789 -1.676 1.00 73.45 H new ATOM 0 HG13 VAL A 41 6.294 -6.258 -2.399 1.00 73.45 H new ATOM 0 HG21 VAL A 41 7.595 -4.485 -4.558 1.00 73.33 H new ATOM 0 HG22 VAL A 41 6.213 -3.964 -3.564 1.00 73.33 H new ATOM 0 HG23 VAL A 41 7.698 -2.983 -3.609 1.00 73.33 H new ATOM 622 N ILE A 42 7.265 -5.562 0.833 1.00 61.52 N ATOM 623 CA ILE A 42 7.757 -6.326 1.972 1.00 21.52 C ATOM 624 C ILE A 42 7.088 -7.701 2.034 1.00 33.04 C ATOM 625 O ILE A 42 5.862 -7.806 2.132 1.00 50.01 O ATOM 626 CB ILE A 42 7.531 -5.572 3.304 1.00 41.23 C ATOM 627 CG1 ILE A 42 8.301 -4.247 3.293 1.00 24.41 C ATOM 628 CG2 ILE A 42 7.961 -6.434 4.487 1.00 55.42 C ATOM 629 CD1 ILE A 42 8.085 -3.406 4.528 1.00 20.31 C ATOM 0 H ILE A 42 6.254 -5.597 0.706 1.00 61.52 H new ATOM 0 HA ILE A 42 8.830 -6.458 1.833 1.00 21.52 H new ATOM 0 HB ILE A 42 6.468 -5.357 3.410 1.00 41.23 H new ATOM 0 HG12 ILE A 42 9.366 -4.457 3.190 1.00 24.41 H new ATOM 0 HG13 ILE A 42 8.003 -3.672 2.416 1.00 24.41 H new ATOM 0 HG21 ILE A 42 7.795 -5.887 5.415 1.00 55.42 H new ATOM 0 HG22 ILE A 42 7.377 -7.354 4.498 1.00 55.42 H new ATOM 0 HG23 ILE A 42 9.019 -6.678 4.394 1.00 55.42 H new ATOM 0 HD11 ILE A 42 8.662 -2.485 4.447 1.00 20.31 H new ATOM 0 HD12 ILE A 42 7.026 -3.164 4.623 1.00 20.31 H new ATOM 0 HD13 ILE A 42 8.410 -3.961 5.408 1.00 20.31 H new ATOM 640 N ASN A 43 7.899 -8.748 1.956 1.00 23.32 N ATOM 641 CA ASN A 43 7.391 -10.115 1.988 1.00 61.14 C ATOM 642 C ASN A 43 7.103 -10.564 3.411 1.00 51.04 C ATOM 643 O ASN A 43 7.945 -10.438 4.301 1.00 45.21 O ATOM 644 CB ASN A 43 8.382 -11.088 1.344 1.00 60.44 C ATOM 645 CG ASN A 43 8.409 -10.988 -0.168 1.00 22.14 C ATOM 646 OD1 ASN A 43 7.644 -11.658 -0.853 1.00 3.13 O ATOM 647 ND2 ASN A 43 9.296 -10.165 -0.700 1.00 52.33 N ATOM 0 H ASN A 43 8.913 -8.677 1.870 1.00 23.32 H new ATOM 0 HA ASN A 43 6.462 -10.122 1.419 1.00 61.14 H new ATOM 0 HB2 ASN A 43 9.381 -10.892 1.734 1.00 60.44 H new ATOM 0 HB3 ASN A 43 8.122 -12.107 1.631 1.00 60.44 H new ATOM 0 HD21 ASN A 43 9.361 -10.071 -1.714 1.00 52.33 H new ATOM 0 HD22 ASN A 43 9.916 -9.624 -0.097 1.00 52.33 H new ATOM 653 N ILE A 44 5.911 -11.093 3.620 1.00 43.01 N ATOM 654 CA ILE A 44 5.537 -11.643 4.917 1.00 71.14 C ATOM 655 C ILE A 44 5.930 -13.109 5.002 1.00 51.21 C ATOM 656 O ILE A 44 5.976 -13.684 6.086 1.00 12.44 O ATOM 657 CB ILE A 44 4.022 -11.542 5.170 1.00 3.41 C ATOM 658 CG1 ILE A 44 3.267 -12.400 4.151 1.00 64.44 C ATOM 659 CG2 ILE A 44 3.570 -10.091 5.099 1.00 50.14 C ATOM 660 CD1 ILE A 44 1.840 -12.694 4.545 1.00 52.41 C ATOM 0 H ILE A 44 5.182 -11.155 2.909 1.00 43.01 H new ATOM 0 HA ILE A 44 6.064 -11.057 5.670 1.00 71.14 H new ATOM 0 HB ILE A 44 3.801 -11.916 6.170 1.00 3.41 H new ATOM 0 HG12 ILE A 44 3.271 -11.891 3.187 1.00 64.44 H new ATOM 0 HG13 ILE A 44 3.799 -13.342 4.017 1.00 64.44 H new ATOM 0 HG21 ILE A 44 2.497 -10.035 5.280 1.00 50.14 H new ATOM 0 HG22 ILE A 44 4.096 -9.509 5.855 1.00 50.14 H new ATOM 0 HG23 ILE A 44 3.793 -9.688 4.111 1.00 50.14 H new ATOM 0 HD11 ILE A 44 1.369 -13.306 3.776 1.00 52.41 H new ATOM 0 HD12 ILE A 44 1.828 -13.231 5.494 1.00 52.41 H new ATOM 0 HD13 ILE A 44 1.292 -11.758 4.651 1.00 52.41 H new ATOM 671 N ASP A 45 6.219 -13.689 3.838 1.00 73.21 N ATOM 672 CA ASP A 45 6.468 -15.123 3.694 1.00 2.14 C ATOM 673 C ASP A 45 7.460 -15.651 4.731 1.00 72.33 C ATOM 674 O ASP A 45 7.223 -16.682 5.355 1.00 74.14 O ATOM 675 CB ASP A 45 6.994 -15.409 2.284 1.00 73.44 C ATOM 676 CG ASP A 45 6.989 -16.886 1.945 1.00 35.32 C ATOM 677 OD1 ASP A 45 7.902 -17.612 2.386 1.00 33.42 O ATOM 678 OD2 ASP A 45 6.072 -17.324 1.217 1.00 13.45 O ATOM 0 H ASP A 45 6.288 -13.173 2.961 1.00 73.21 H new ATOM 0 HA ASP A 45 5.522 -15.639 3.860 1.00 2.14 H new ATOM 0 HB2 ASP A 45 6.384 -14.872 1.558 1.00 73.44 H new ATOM 0 HB3 ASP A 45 8.010 -15.024 2.195 1.00 73.44 H new ATOM 682 N GLY A 46 8.558 -14.927 4.923 1.00 64.32 N ATOM 683 CA GLY A 46 9.599 -15.385 5.829 1.00 23.52 C ATOM 684 C GLY A 46 9.376 -14.952 7.267 1.00 54.24 C ATOM 685 O GLY A 46 10.164 -15.287 8.151 1.00 22.14 O ATOM 0 H GLY A 46 8.747 -14.033 4.469 1.00 64.32 H new ATOM 0 HA2 GLY A 46 9.653 -16.473 5.789 1.00 23.52 H new ATOM 0 HA3 GLY A 46 10.562 -15.005 5.487 1.00 23.52 H new ATOM 689 N ASN A 47 8.296 -14.220 7.509 1.00 72.32 N ATOM 690 CA ASN A 47 8.003 -13.700 8.840 1.00 65.54 C ATOM 691 C ASN A 47 6.793 -14.411 9.426 1.00 43.12 C ATOM 692 O ASN A 47 5.670 -14.234 8.951 1.00 24.03 O ATOM 693 CB ASN A 47 7.746 -12.189 8.793 1.00 64.40 C ATOM 694 CG ASN A 47 8.965 -11.391 8.358 1.00 23.13 C ATOM 695 OD1 ASN A 47 9.814 -11.035 9.175 1.00 70.55 O ATOM 696 ND2 ASN A 47 9.058 -11.093 7.068 1.00 31.50 N ATOM 0 H ASN A 47 7.606 -13.972 6.799 1.00 72.32 H new ATOM 0 HA ASN A 47 8.870 -13.884 9.474 1.00 65.54 H new ATOM 0 HB2 ASN A 47 6.923 -11.987 8.107 1.00 64.40 H new ATOM 0 HB3 ASN A 47 7.429 -11.849 9.779 1.00 64.40 H new ATOM 0 HD21 ASN A 47 9.852 -10.552 6.725 1.00 31.50 H new ATOM 0 HD22 ASN A 47 8.335 -11.405 6.419 1.00 31.50 H new ATOM 702 N GLU A 48 7.030 -15.203 10.463 1.00 20.42 N ATOM 703 CA GLU A 48 5.994 -16.039 11.074 1.00 42.02 C ATOM 704 C GLU A 48 4.788 -15.208 11.526 1.00 3.13 C ATOM 705 O GLU A 48 3.642 -15.546 11.225 1.00 24.31 O ATOM 706 CB GLU A 48 6.594 -16.819 12.258 1.00 42.34 C ATOM 707 CG GLU A 48 5.652 -17.823 12.916 1.00 72.20 C ATOM 708 CD GLU A 48 4.859 -17.232 14.067 1.00 1.04 C ATOM 709 OE1 GLU A 48 5.473 -16.902 15.105 1.00 41.05 O ATOM 710 OE2 GLU A 48 3.624 -17.118 13.954 1.00 43.01 O ATOM 0 H GLU A 48 7.944 -15.287 10.908 1.00 20.42 H new ATOM 0 HA GLU A 48 5.634 -16.743 10.323 1.00 42.02 H new ATOM 0 HB2 GLU A 48 7.481 -17.350 11.911 1.00 42.34 H new ATOM 0 HB3 GLU A 48 6.924 -16.106 13.013 1.00 42.34 H new ATOM 0 HG2 GLU A 48 4.960 -18.208 12.167 1.00 72.20 H new ATOM 0 HG3 GLU A 48 6.232 -18.671 13.280 1.00 72.20 H new ATOM 715 N HIS A 49 5.051 -14.105 12.216 1.00 23.40 N ATOM 716 CA HIS A 49 3.978 -13.301 12.787 1.00 5.50 C ATOM 717 C HIS A 49 3.207 -12.583 11.687 1.00 21.14 C ATOM 718 O HIS A 49 1.981 -12.468 11.750 1.00 15.14 O ATOM 719 CB HIS A 49 4.539 -12.287 13.788 1.00 61.25 C ATOM 720 CG HIS A 49 3.517 -11.775 14.755 1.00 52.53 C ATOM 721 ND1 HIS A 49 3.201 -10.439 14.896 1.00 74.30 N ATOM 722 CD2 HIS A 49 2.744 -12.435 15.648 1.00 24.21 C ATOM 723 CE1 HIS A 49 2.279 -10.305 15.834 1.00 11.24 C ATOM 724 NE2 HIS A 49 1.987 -11.500 16.306 1.00 22.33 N ATOM 0 H HIS A 49 5.990 -13.749 12.393 1.00 23.40 H new ATOM 0 HA HIS A 49 3.295 -13.967 13.314 1.00 5.50 H new ATOM 0 HB2 HIS A 49 5.354 -12.750 14.344 1.00 61.25 H new ATOM 0 HB3 HIS A 49 4.964 -11.445 13.241 1.00 61.25 H new ATOM 0 HD2 HIS A 49 2.726 -13.502 15.812 1.00 24.21 H new ATOM 0 HE1 HIS A 49 1.839 -9.373 16.159 1.00 11.24 H new ATOM 0 HE2 HIS A 49 1.308 -11.697 17.041 1.00 22.33 H new ATOM 731 N LEU A 50 3.927 -12.124 10.669 1.00 2.34 N ATOM 732 CA LEU A 50 3.303 -11.442 9.542 1.00 51.24 C ATOM 733 C LEU A 50 2.478 -12.419 8.717 1.00 10.44 C ATOM 734 O LEU A 50 1.447 -12.051 8.156 1.00 22.12 O ATOM 735 CB LEU A 50 4.346 -10.759 8.655 1.00 54.43 C ATOM 736 CG LEU A 50 5.075 -9.572 9.287 1.00 21.23 C ATOM 737 CD1 LEU A 50 6.051 -8.964 8.294 1.00 50.22 C ATOM 738 CD2 LEU A 50 4.082 -8.525 9.768 1.00 2.42 C ATOM 0 H LEU A 50 4.941 -12.212 10.601 1.00 2.34 H new ATOM 0 HA LEU A 50 2.645 -10.673 9.946 1.00 51.24 H new ATOM 0 HB2 LEU A 50 5.087 -11.501 8.358 1.00 54.43 H new ATOM 0 HB3 LEU A 50 3.855 -10.417 7.744 1.00 54.43 H new ATOM 0 HG LEU A 50 5.635 -9.931 10.150 1.00 21.23 H new ATOM 0 HD11 LEU A 50 6.563 -8.120 8.757 1.00 50.22 H new ATOM 0 HD12 LEU A 50 6.784 -9.715 7.998 1.00 50.22 H new ATOM 0 HD13 LEU A 50 5.508 -8.620 7.414 1.00 50.22 H new ATOM 0 HD21 LEU A 50 4.622 -7.690 10.214 1.00 2.42 H new ATOM 0 HD22 LEU A 50 3.493 -8.167 8.924 1.00 2.42 H new ATOM 0 HD23 LEU A 50 3.419 -8.967 10.512 1.00 2.42 H new ATOM 749 N THR A 51 2.935 -13.665 8.654 1.00 14.24 N ATOM 750 CA THR A 51 2.218 -14.707 7.937 1.00 33.15 C ATOM 751 C THR A 51 0.803 -14.860 8.491 1.00 34.45 C ATOM 752 O THR A 51 -0.172 -14.696 7.773 1.00 33.32 O ATOM 753 CB THR A 51 2.962 -16.059 8.014 1.00 31.54 C ATOM 754 OG1 THR A 51 4.267 -15.933 7.435 1.00 51.25 O ATOM 755 CG2 THR A 51 2.195 -17.153 7.289 1.00 4.22 C ATOM 0 H THR A 51 3.802 -13.976 9.093 1.00 14.24 H new ATOM 0 HA THR A 51 2.162 -14.408 6.890 1.00 33.15 H new ATOM 0 HB THR A 51 3.047 -16.334 9.065 1.00 31.54 H new ATOM 0 HG1 THR A 51 4.848 -15.430 8.044 1.00 51.25 H new ATOM 0 HG21 THR A 51 2.744 -18.092 7.361 1.00 4.22 H new ATOM 0 HG22 THR A 51 1.212 -17.272 7.745 1.00 4.22 H new ATOM 0 HG23 THR A 51 2.078 -16.881 6.240 1.00 4.22 H new ATOM 763 N ARG A 52 0.693 -15.119 9.783 1.00 40.12 N ATOM 764 CA ARG A 52 -0.612 -15.317 10.406 1.00 1.43 C ATOM 765 C ARG A 52 -1.509 -14.088 10.246 1.00 3.34 C ATOM 766 O ARG A 52 -2.734 -14.209 10.184 1.00 44.23 O ATOM 767 CB ARG A 52 -0.454 -15.703 11.879 1.00 63.42 C ATOM 768 CG ARG A 52 0.099 -17.108 12.077 1.00 13.21 C ATOM 769 CD ARG A 52 -0.935 -18.190 11.759 1.00 5.50 C ATOM 770 NE ARG A 52 -1.537 -18.035 10.429 1.00 4.44 N ATOM 771 CZ ARG A 52 -1.584 -18.990 9.496 1.00 12.31 C ATOM 772 NH1 ARG A 52 -1.061 -20.188 9.728 1.00 34.43 N ATOM 773 NH2 ARG A 52 -2.166 -18.740 8.328 1.00 75.15 N ATOM 0 H ARG A 52 1.485 -15.198 10.421 1.00 40.12 H new ATOM 0 HA ARG A 52 -1.105 -16.141 9.889 1.00 1.43 H new ATOM 0 HB2 ARG A 52 0.208 -14.987 12.366 1.00 63.42 H new ATOM 0 HB3 ARG A 52 -1.423 -15.628 12.373 1.00 63.42 H new ATOM 0 HG2 ARG A 52 0.973 -17.245 11.440 1.00 13.21 H new ATOM 0 HG3 ARG A 52 0.435 -17.222 13.108 1.00 13.21 H new ATOM 0 HD2 ARG A 52 -0.460 -19.169 11.825 1.00 5.50 H new ATOM 0 HD3 ARG A 52 -1.722 -18.166 12.513 1.00 5.50 H new ATOM 0 HE ARG A 52 -1.950 -17.131 10.200 1.00 4.44 H new ATOM 0 HH11 ARG A 52 -0.618 -20.386 10.625 1.00 34.43 H new ATOM 0 HH12 ARG A 52 -1.102 -20.910 9.009 1.00 34.43 H new ATOM 0 HH21 ARG A 52 -2.574 -17.823 8.147 1.00 75.15 H new ATOM 0 HH22 ARG A 52 -2.205 -19.465 7.612 1.00 75.15 H new ATOM 784 N LEU A 53 -0.893 -12.917 10.177 1.00 21.50 N ATOM 785 CA LEU A 53 -1.631 -11.670 10.016 1.00 23.31 C ATOM 786 C LEU A 53 -2.142 -11.472 8.583 1.00 51.24 C ATOM 787 O LEU A 53 -3.315 -11.150 8.382 1.00 41.45 O ATOM 788 CB LEU A 53 -0.757 -10.477 10.411 1.00 1.03 C ATOM 789 CG LEU A 53 -0.436 -10.365 11.900 1.00 41.42 C ATOM 790 CD1 LEU A 53 0.635 -9.313 12.135 1.00 71.32 C ATOM 791 CD2 LEU A 53 -1.690 -10.023 12.690 1.00 2.00 C ATOM 0 H LEU A 53 0.119 -12.803 10.230 1.00 21.50 H new ATOM 0 HA LEU A 53 -2.497 -11.732 10.675 1.00 23.31 H new ATOM 0 HB2 LEU A 53 0.180 -10.536 9.858 1.00 1.03 H new ATOM 0 HB3 LEU A 53 -1.257 -9.561 10.094 1.00 1.03 H new ATOM 0 HG LEU A 53 -0.059 -11.328 12.244 1.00 41.42 H new ATOM 0 HD11 LEU A 53 0.852 -9.246 13.201 1.00 71.32 H new ATOM 0 HD12 LEU A 53 1.542 -9.590 11.597 1.00 71.32 H new ATOM 0 HD13 LEU A 53 0.281 -8.347 11.775 1.00 71.32 H new ATOM 0 HD21 LEU A 53 -1.443 -9.947 13.749 1.00 2.00 H new ATOM 0 HD22 LEU A 53 -2.091 -9.071 12.342 1.00 2.00 H new ATOM 0 HD23 LEU A 53 -2.435 -10.805 12.546 1.00 2.00 H new ATOM 802 N TYR A 54 -1.274 -11.666 7.589 1.00 11.20 N ATOM 803 CA TYR A 54 -1.594 -11.246 6.221 1.00 21.34 C ATOM 804 C TYR A 54 -1.532 -12.385 5.199 1.00 12.44 C ATOM 805 O TYR A 54 -1.631 -12.131 4.009 1.00 4.13 O ATOM 806 CB TYR A 54 -0.626 -10.143 5.771 1.00 3.40 C ATOM 807 CG TYR A 54 -0.506 -8.985 6.735 1.00 34.41 C ATOM 808 CD1 TYR A 54 -1.418 -7.940 6.718 1.00 2.53 C ATOM 809 CD2 TYR A 54 0.525 -8.942 7.663 1.00 20.33 C ATOM 810 CE1 TYR A 54 -1.305 -6.884 7.602 1.00 44.34 C ATOM 811 CE2 TYR A 54 0.645 -7.893 8.550 1.00 70.34 C ATOM 812 CZ TYR A 54 -0.272 -6.866 8.516 1.00 0.14 C ATOM 813 OH TYR A 54 -0.148 -5.821 9.399 1.00 53.22 O ATOM 0 H TYR A 54 -0.359 -12.103 7.700 1.00 11.20 H new ATOM 0 HA TYR A 54 -2.622 -10.886 6.253 1.00 21.34 H new ATOM 0 HB2 TYR A 54 0.361 -10.581 5.624 1.00 3.40 H new ATOM 0 HB3 TYR A 54 -0.953 -9.762 4.804 1.00 3.40 H new ATOM 0 HD1 TYR A 54 -2.228 -7.952 6.004 1.00 2.53 H new ATOM 0 HD2 TYR A 54 1.247 -9.745 7.691 1.00 20.33 H new ATOM 0 HE1 TYR A 54 -2.022 -6.077 7.577 1.00 44.34 H new ATOM 0 HE2 TYR A 54 1.453 -7.877 9.267 1.00 70.34 H new ATOM 0 HH TYR A 54 0.633 -5.968 9.972 1.00 53.22 H new ATOM 822 N ASN A 55 -1.365 -13.628 5.637 1.00 55.02 N ATOM 823 CA ASN A 55 -1.212 -14.745 4.689 1.00 0.05 C ATOM 824 C ASN A 55 -2.426 -14.884 3.779 1.00 74.24 C ATOM 825 O ASN A 55 -2.300 -14.957 2.558 1.00 20.22 O ATOM 826 CB ASN A 55 -0.984 -16.069 5.421 1.00 24.55 C ATOM 827 CG ASN A 55 -0.827 -17.242 4.471 1.00 71.41 C ATOM 828 OD1 ASN A 55 -1.802 -17.905 4.118 1.00 31.45 O ATOM 829 ND2 ASN A 55 0.402 -17.507 4.063 1.00 31.43 N ATOM 0 H ASN A 55 -1.331 -13.893 6.621 1.00 55.02 H new ATOM 0 HA ASN A 55 -0.338 -14.515 4.079 1.00 0.05 H new ATOM 0 HB2 ASN A 55 -0.092 -15.987 6.042 1.00 24.55 H new ATOM 0 HB3 ASN A 55 -1.823 -16.259 6.091 1.00 24.55 H new ATOM 0 HD21 ASN A 55 0.572 -18.288 3.430 1.00 31.43 H new ATOM 0 HD22 ASN A 55 1.181 -16.930 4.382 1.00 31.43 H new ATOM 835 N ASP A 56 -3.603 -14.913 4.385 1.00 62.54 N ATOM 836 CA ASP A 56 -4.833 -15.146 3.643 1.00 50.31 C ATOM 837 C ASP A 56 -5.270 -13.890 2.891 1.00 53.44 C ATOM 838 O ASP A 56 -6.027 -13.963 1.922 1.00 13.44 O ATOM 839 CB ASP A 56 -5.934 -15.622 4.591 1.00 10.34 C ATOM 840 CG ASP A 56 -7.175 -16.097 3.861 1.00 42.50 C ATOM 841 OD1 ASP A 56 -7.043 -16.716 2.784 1.00 13.31 O ATOM 842 OD2 ASP A 56 -8.288 -15.853 4.367 1.00 3.42 O ATOM 0 H ASP A 56 -3.733 -14.778 5.388 1.00 62.54 H new ATOM 0 HA ASP A 56 -4.646 -15.924 2.903 1.00 50.31 H new ATOM 0 HB2 ASP A 56 -5.549 -16.433 5.209 1.00 10.34 H new ATOM 0 HB3 ASP A 56 -6.204 -14.809 5.265 1.00 10.34 H new ATOM 846 N ARG A 57 -4.774 -12.738 3.332 1.00 41.54 N ATOM 847 CA ARG A 57 -5.038 -11.485 2.660 1.00 23.41 C ATOM 848 C ARG A 57 -3.728 -10.770 2.401 1.00 40.10 C ATOM 849 O ARG A 57 -3.378 -9.831 3.115 1.00 21.23 O ATOM 850 CB ARG A 57 -5.968 -10.597 3.492 1.00 23.13 C ATOM 851 CG ARG A 57 -7.410 -11.064 3.501 1.00 22.31 C ATOM 852 CD ARG A 57 -8.257 -10.225 4.437 1.00 51.25 C ATOM 853 NE ARG A 57 -7.903 -10.442 5.842 1.00 65.20 N ATOM 854 CZ ARG A 57 -8.686 -11.085 6.708 1.00 51.12 C ATOM 855 NH1 ARG A 57 -9.850 -11.580 6.310 1.00 70.43 N ATOM 856 NH2 ARG A 57 -8.311 -11.234 7.972 1.00 63.21 N ATOM 0 H ARG A 57 -4.183 -12.654 4.159 1.00 41.54 H new ATOM 0 HA ARG A 57 -5.536 -11.695 1.713 1.00 23.41 H new ATOM 0 HB2 ARG A 57 -5.600 -10.562 4.518 1.00 23.13 H new ATOM 0 HB3 ARG A 57 -5.927 -9.579 3.104 1.00 23.13 H new ATOM 0 HG2 ARG A 57 -7.818 -11.010 2.492 1.00 22.31 H new ATOM 0 HG3 ARG A 57 -7.454 -12.109 3.807 1.00 22.31 H new ATOM 0 HD2 ARG A 57 -8.133 -9.170 4.191 1.00 51.25 H new ATOM 0 HD3 ARG A 57 -9.309 -10.466 4.287 1.00 51.25 H new ATOM 0 HE ARG A 57 -7.009 -10.082 6.175 1.00 65.20 H new ATOM 0 HH11 ARG A 57 -10.147 -11.469 5.340 1.00 70.43 H new ATOM 0 HH12 ARG A 57 -10.449 -12.072 6.973 1.00 70.43 H new ATOM 0 HH21 ARG A 57 -7.418 -10.855 8.287 1.00 63.21 H new ATOM 0 HH22 ARG A 57 -8.916 -11.727 8.629 1.00 63.21 H new ATOM 867 N VAL A 58 -2.976 -11.246 1.414 1.00 24.23 N ATOM 868 CA VAL A 58 -1.750 -10.589 1.050 1.00 11.14 C ATOM 869 C VAL A 58 -2.058 -9.432 0.111 1.00 64.51 C ATOM 870 O VAL A 58 -3.138 -8.857 0.243 1.00 52.02 O ATOM 871 CB VAL A 58 -0.683 -11.543 0.484 1.00 61.15 C ATOM 872 CG1 VAL A 58 0.243 -11.992 1.584 1.00 51.21 C ATOM 873 CG2 VAL A 58 -1.310 -12.727 -0.221 1.00 22.44 C ATOM 0 H VAL A 58 -3.200 -12.075 0.864 1.00 24.23 H new ATOM 0 HA VAL A 58 -1.299 -10.195 1.961 1.00 11.14 H new ATOM 0 HB VAL A 58 -0.102 -11.000 -0.262 1.00 61.15 H new ATOM 0 HG11 VAL A 58 0.995 -12.667 1.174 1.00 51.21 H new ATOM 0 HG12 VAL A 58 0.735 -11.124 2.022 1.00 51.21 H new ATOM 0 HG13 VAL A 58 -0.330 -12.511 2.353 1.00 51.21 H new ATOM 0 HG21 VAL A 58 -0.525 -13.378 -0.607 1.00 22.44 H new ATOM 0 HG22 VAL A 58 -1.929 -13.283 0.483 1.00 22.44 H new ATOM 0 HG23 VAL A 58 -1.927 -12.374 -1.047 1.00 22.44 H new ATOM 883 N PRO A 59 -1.215 -9.142 -0.916 1.00 73.33 N ATOM 884 CA PRO A 59 -0.920 -7.794 -1.309 1.00 23.51 C ATOM 885 C PRO A 59 -1.823 -6.754 -0.661 1.00 61.10 C ATOM 886 O PRO A 59 -2.969 -6.595 -1.063 1.00 44.31 O ATOM 887 CB PRO A 59 -1.087 -7.839 -2.821 1.00 74.31 C ATOM 888 CG PRO A 59 -0.719 -9.241 -3.202 1.00 53.33 C ATOM 889 CD PRO A 59 -0.640 -10.047 -1.922 1.00 24.00 C ATOM 0 HA PRO A 59 0.074 -7.481 -0.988 1.00 23.51 H new ATOM 0 HB2 PRO A 59 -2.110 -7.605 -3.114 1.00 74.31 H new ATOM 0 HB3 PRO A 59 -0.440 -7.112 -3.313 1.00 74.31 H new ATOM 0 HG2 PRO A 59 -1.463 -9.664 -3.878 1.00 53.33 H new ATOM 0 HG3 PRO A 59 0.236 -9.259 -3.727 1.00 53.33 H new ATOM 0 HD2 PRO A 59 -1.205 -10.976 -1.996 1.00 24.00 H new ATOM 0 HD3 PRO A 59 0.388 -10.317 -1.679 1.00 24.00 H new ATOM 894 N VAL A 60 -1.309 -6.088 0.368 1.00 10.31 N ATOM 895 CA VAL A 60 -2.086 -5.111 1.144 1.00 52.12 C ATOM 896 C VAL A 60 -1.327 -3.790 1.278 1.00 11.12 C ATOM 897 O VAL A 60 -0.111 -3.791 1.414 1.00 23.35 O ATOM 898 CB VAL A 60 -2.393 -5.646 2.562 1.00 32.21 C ATOM 899 CG1 VAL A 60 -3.887 -5.732 2.820 1.00 23.24 C ATOM 900 CG2 VAL A 60 -1.770 -7.006 2.754 1.00 31.14 C ATOM 0 H VAL A 60 -0.349 -6.205 0.691 1.00 10.31 H new ATOM 0 HA VAL A 60 -3.019 -4.945 0.606 1.00 52.12 H new ATOM 0 HB VAL A 60 -1.965 -4.941 3.275 1.00 32.21 H new ATOM 0 HG11 VAL A 60 -4.061 -6.112 3.827 1.00 23.24 H new ATOM 0 HG12 VAL A 60 -4.330 -4.741 2.725 1.00 23.24 H new ATOM 0 HG13 VAL A 60 -4.343 -6.405 2.094 1.00 23.24 H new ATOM 0 HG21 VAL A 60 -1.994 -7.371 3.756 1.00 31.14 H new ATOM 0 HG22 VAL A 60 -2.175 -7.699 2.017 1.00 31.14 H new ATOM 0 HG23 VAL A 60 -0.690 -6.933 2.628 1.00 31.14 H new ATOM 910 N LEU A 61 -2.039 -2.663 1.231 1.00 34.52 N ATOM 911 CA LEU A 61 -1.398 -1.356 1.399 1.00 75.03 C ATOM 912 C LEU A 61 -1.324 -0.954 2.866 1.00 43.10 C ATOM 913 O LEU A 61 -2.341 -0.887 3.560 1.00 62.13 O ATOM 914 CB LEU A 61 -2.125 -0.268 0.607 1.00 13.52 C ATOM 915 CG LEU A 61 -1.830 -0.242 -0.889 1.00 42.13 C ATOM 916 CD1 LEU A 61 -2.563 0.911 -1.551 1.00 54.04 C ATOM 917 CD2 LEU A 61 -0.334 -0.139 -1.143 1.00 70.32 C ATOM 0 H LEU A 61 -3.047 -2.627 1.080 1.00 34.52 H new ATOM 0 HA LEU A 61 -0.384 -1.454 1.011 1.00 75.03 H new ATOM 0 HB2 LEU A 61 -3.198 -0.396 0.746 1.00 13.52 H new ATOM 0 HB3 LEU A 61 -1.862 0.702 1.029 1.00 13.52 H new ATOM 0 HG LEU A 61 -2.184 -1.176 -1.325 1.00 42.13 H new ATOM 0 HD11 LEU A 61 -2.343 0.917 -2.619 1.00 54.04 H new ATOM 0 HD12 LEU A 61 -3.636 0.793 -1.402 1.00 54.04 H new ATOM 0 HD13 LEU A 61 -2.237 1.852 -1.108 1.00 54.04 H new ATOM 0 HD21 LEU A 61 -0.148 -0.122 -2.217 1.00 70.32 H new ATOM 0 HD22 LEU A 61 0.049 0.777 -0.694 1.00 70.32 H new ATOM 0 HD23 LEU A 61 0.170 -0.998 -0.701 1.00 70.32 H new ATOM 928 N PHE A 62 -0.110 -0.692 3.314 1.00 60.31 N ATOM 929 CA PHE A 62 0.147 -0.247 4.671 1.00 32.12 C ATOM 930 C PHE A 62 0.476 1.241 4.686 1.00 55.21 C ATOM 931 O PHE A 62 1.323 1.707 3.919 1.00 74.51 O ATOM 932 CB PHE A 62 1.307 -1.051 5.260 1.00 21.22 C ATOM 933 CG PHE A 62 1.734 -0.605 6.631 1.00 72.41 C ATOM 934 CD1 PHE A 62 0.991 -0.950 7.750 1.00 24.11 C ATOM 935 CD2 PHE A 62 2.882 0.151 6.801 1.00 50.33 C ATOM 936 CE1 PHE A 62 1.387 -0.548 9.010 1.00 14.44 C ATOM 937 CE2 PHE A 62 3.281 0.558 8.057 1.00 61.22 C ATOM 938 CZ PHE A 62 2.535 0.208 9.165 1.00 4.42 C ATOM 0 H PHE A 62 0.730 -0.783 2.743 1.00 60.31 H new ATOM 0 HA PHE A 62 -0.745 -0.408 5.276 1.00 32.12 H new ATOM 0 HB2 PHE A 62 1.020 -2.102 5.305 1.00 21.22 H new ATOM 0 HB3 PHE A 62 2.161 -0.983 4.586 1.00 21.22 H new ATOM 0 HD1 PHE A 62 0.093 -1.539 7.635 1.00 24.11 H new ATOM 0 HD2 PHE A 62 3.472 0.425 5.939 1.00 50.33 H new ATOM 0 HE1 PHE A 62 0.801 -0.824 9.874 1.00 14.44 H new ATOM 0 HE2 PHE A 62 4.177 1.150 8.174 1.00 61.22 H new ATOM 0 HZ PHE A 62 2.847 0.524 10.150 1.00 4.42 H new ATOM 947 N ALA A 63 -0.199 1.979 5.552 1.00 53.03 N ATOM 948 CA ALA A 63 0.026 3.409 5.679 1.00 21.11 C ATOM 949 C ALA A 63 1.260 3.693 6.530 1.00 15.15 C ATOM 950 O ALA A 63 1.219 3.580 7.759 1.00 34.22 O ATOM 951 CB ALA A 63 -1.201 4.074 6.280 1.00 2.52 C ATOM 0 H ALA A 63 -0.911 1.608 6.181 1.00 53.03 H new ATOM 0 HA ALA A 63 0.202 3.822 4.686 1.00 21.11 H new ATOM 0 HB1 ALA A 63 -1.025 5.146 6.372 1.00 2.52 H new ATOM 0 HB2 ALA A 63 -2.062 3.902 5.634 1.00 2.52 H new ATOM 0 HB3 ALA A 63 -1.397 3.652 7.266 1.00 2.52 H new ATOM 957 N VAL A 64 2.355 4.068 5.876 1.00 74.04 N ATOM 958 CA VAL A 64 3.612 4.321 6.570 1.00 41.41 C ATOM 959 C VAL A 64 3.613 5.711 7.190 1.00 1.25 C ATOM 960 O VAL A 64 4.131 6.666 6.606 1.00 11.22 O ATOM 961 CB VAL A 64 4.829 4.175 5.629 1.00 12.54 C ATOM 962 CG1 VAL A 64 6.140 4.363 6.380 1.00 75.21 C ATOM 963 CG2 VAL A 64 4.797 2.823 4.946 1.00 14.50 C ATOM 0 H VAL A 64 2.397 4.203 4.866 1.00 74.04 H new ATOM 0 HA VAL A 64 3.698 3.572 7.357 1.00 41.41 H new ATOM 0 HB VAL A 64 4.768 4.958 4.873 1.00 12.54 H new ATOM 0 HG11 VAL A 64 6.975 4.254 5.688 1.00 75.21 H new ATOM 0 HG12 VAL A 64 6.165 5.358 6.825 1.00 75.21 H new ATOM 0 HG13 VAL A 64 6.220 3.612 7.166 1.00 75.21 H new ATOM 0 HG21 VAL A 64 5.658 2.729 4.285 1.00 14.50 H new ATOM 0 HG22 VAL A 64 4.829 2.035 5.698 1.00 14.50 H new ATOM 0 HG23 VAL A 64 3.880 2.731 4.363 1.00 14.50 H new ATOM 973 N ASN A 65 2.992 5.807 8.360 1.00 52.34 N ATOM 974 CA ASN A 65 2.927 7.049 9.126 1.00 2.12 C ATOM 975 C ASN A 65 1.999 6.848 10.317 1.00 44.31 C ATOM 976 O ASN A 65 2.408 6.955 11.474 1.00 13.43 O ATOM 977 CB ASN A 65 2.412 8.210 8.262 1.00 31.13 C ATOM 978 CG ASN A 65 2.732 9.570 8.852 1.00 64.22 C ATOM 979 OD1 ASN A 65 2.784 9.742 10.067 1.00 24.31 O ATOM 980 ND2 ASN A 65 2.975 10.544 7.988 1.00 52.13 N ATOM 0 H ASN A 65 2.517 5.023 8.807 1.00 52.34 H new ATOM 0 HA ASN A 65 3.931 7.302 9.466 1.00 2.12 H new ATOM 0 HB2 ASN A 65 2.851 8.139 7.267 1.00 31.13 H new ATOM 0 HB3 ASN A 65 1.333 8.116 8.142 1.00 31.13 H new ATOM 0 HD21 ASN A 65 3.215 11.476 8.325 1.00 52.13 H new ATOM 0 HD22 ASN A 65 2.922 10.362 6.986 1.00 52.13 H new ATOM 986 N GLU A 66 0.748 6.518 10.019 1.00 45.43 N ATOM 987 CA GLU A 66 -0.253 6.284 11.051 1.00 2.44 C ATOM 988 C GLU A 66 -0.261 4.813 11.459 1.00 73.10 C ATOM 989 O GLU A 66 -0.943 4.430 12.405 1.00 31.04 O ATOM 990 CB GLU A 66 -1.635 6.704 10.548 1.00 33.04 C ATOM 991 CG GLU A 66 -2.410 7.571 11.530 1.00 62.24 C ATOM 992 CD GLU A 66 -2.726 6.858 12.831 1.00 20.05 C ATOM 993 OE1 GLU A 66 -3.761 6.164 12.893 1.00 5.21 O ATOM 994 OE2 GLU A 66 -1.945 6.992 13.796 1.00 2.01 O ATOM 0 H GLU A 66 0.402 6.406 9.066 1.00 45.43 H new ATOM 0 HA GLU A 66 -0.001 6.884 11.926 1.00 2.44 H new ATOM 0 HB2 GLU A 66 -1.520 7.248 9.610 1.00 33.04 H new ATOM 0 HB3 GLU A 66 -2.218 5.810 10.329 1.00 33.04 H new ATOM 0 HG2 GLU A 66 -1.833 8.470 11.746 1.00 62.24 H new ATOM 0 HG3 GLU A 66 -3.341 7.894 11.064 1.00 62.24 H new ATOM 999 N ASP A 67 0.492 3.996 10.719 1.00 74.44 N ATOM 1000 CA ASP A 67 0.666 2.576 11.047 1.00 21.32 C ATOM 1001 C ASP A 67 -0.672 1.832 11.035 1.00 51.43 C ATOM 1002 O ASP A 67 -1.287 1.597 12.075 1.00 33.12 O ATOM 1003 CB ASP A 67 1.382 2.432 12.400 1.00 32.11 C ATOM 1004 CG ASP A 67 1.477 1.002 12.894 1.00 3.24 C ATOM 1005 OD1 ASP A 67 2.183 0.188 12.267 1.00 22.54 O ATOM 1006 OD2 ASP A 67 0.864 0.694 13.938 1.00 1.13 O ATOM 0 H ASP A 67 0.995 4.295 9.883 1.00 74.44 H new ATOM 0 HA ASP A 67 1.289 2.117 10.280 1.00 21.32 H new ATOM 0 HB2 ASP A 67 2.387 2.844 12.314 1.00 32.11 H new ATOM 0 HB3 ASP A 67 0.855 3.029 13.144 1.00 32.11 H new ATOM 1010 N LYS A 68 -1.135 1.506 9.831 1.00 71.45 N ATOM 1011 CA LYS A 68 -2.391 0.783 9.644 1.00 74.11 C ATOM 1012 C LYS A 68 -2.566 0.363 8.190 1.00 54.55 C ATOM 1013 O LYS A 68 -2.097 1.046 7.278 1.00 72.31 O ATOM 1014 CB LYS A 68 -3.592 1.639 10.068 1.00 22.24 C ATOM 1015 CG LYS A 68 -3.545 3.074 9.557 1.00 54.13 C ATOM 1016 CD LYS A 68 -4.940 3.642 9.319 1.00 1.22 C ATOM 1017 CE LYS A 68 -5.876 3.398 10.497 1.00 14.34 C ATOM 1018 NZ LYS A 68 -5.414 4.064 11.746 1.00 43.24 N ATOM 0 H LYS A 68 -0.653 1.734 8.961 1.00 71.45 H new ATOM 0 HA LYS A 68 -2.348 -0.106 10.273 1.00 74.11 H new ATOM 0 HB2 LYS A 68 -4.506 1.167 9.709 1.00 22.24 H new ATOM 0 HB3 LYS A 68 -3.648 1.654 11.156 1.00 22.24 H new ATOM 0 HG2 LYS A 68 -3.018 3.698 10.278 1.00 54.13 H new ATOM 0 HG3 LYS A 68 -2.976 3.110 8.628 1.00 54.13 H new ATOM 0 HD2 LYS A 68 -4.866 4.713 9.133 1.00 1.22 H new ATOM 0 HD3 LYS A 68 -5.365 3.191 8.422 1.00 1.22 H new ATOM 0 HE2 LYS A 68 -6.873 3.760 10.245 1.00 14.34 H new ATOM 0 HE3 LYS A 68 -5.961 2.326 10.672 1.00 14.34 H new ATOM 0 HZ1 LYS A 68 -6.230 4.479 12.240 1.00 43.24 H new ATOM 0 HZ2 LYS A 68 -4.954 3.364 12.363 1.00 43.24 H new ATOM 0 HZ3 LYS A 68 -4.735 4.815 11.508 1.00 43.24 H new ATOM 1028 N GLU A 69 -3.230 -0.766 7.983 1.00 13.04 N ATOM 1029 CA GLU A 69 -3.569 -1.224 6.641 1.00 22.43 C ATOM 1030 C GLU A 69 -4.771 -0.448 6.121 1.00 44.35 C ATOM 1031 O GLU A 69 -5.731 -0.209 6.858 1.00 21.35 O ATOM 1032 CB GLU A 69 -3.896 -2.728 6.623 1.00 22.31 C ATOM 1033 CG GLU A 69 -2.845 -3.624 7.267 1.00 44.33 C ATOM 1034 CD GLU A 69 -3.023 -3.754 8.768 1.00 15.10 C ATOM 1035 OE1 GLU A 69 -2.531 -2.881 9.515 1.00 52.34 O ATOM 1036 OE2 GLU A 69 -3.665 -4.729 9.209 1.00 2.41 O ATOM 0 H GLU A 69 -3.546 -1.384 8.730 1.00 13.04 H new ATOM 0 HA GLU A 69 -2.703 -1.052 6.002 1.00 22.43 H new ATOM 0 HB2 GLU A 69 -4.846 -2.884 7.133 1.00 22.31 H new ATOM 0 HB3 GLU A 69 -4.035 -3.042 5.588 1.00 22.31 H new ATOM 0 HG2 GLU A 69 -2.891 -4.614 6.813 1.00 44.33 H new ATOM 0 HG3 GLU A 69 -1.854 -3.223 7.057 1.00 44.33 H new ATOM 1041 N LEU A 70 -4.723 -0.048 4.859 1.00 63.40 N ATOM 1042 CA LEU A 70 -5.839 0.665 4.254 1.00 23.30 C ATOM 1043 C LEU A 70 -6.695 -0.287 3.432 1.00 54.34 C ATOM 1044 O LEU A 70 -7.705 -0.801 3.910 1.00 41.15 O ATOM 1045 CB LEU A 70 -5.357 1.810 3.360 1.00 52.10 C ATOM 1046 CG LEU A 70 -4.456 2.850 4.028 1.00 73.42 C ATOM 1047 CD1 LEU A 70 -4.160 3.977 3.053 1.00 11.40 C ATOM 1048 CD2 LEU A 70 -5.092 3.396 5.303 1.00 43.12 C ATOM 0 H LEU A 70 -3.929 -0.203 4.237 1.00 63.40 H new ATOM 0 HA LEU A 70 -6.433 1.086 5.065 1.00 23.30 H new ATOM 0 HB2 LEU A 70 -4.819 1.382 2.514 1.00 52.10 H new ATOM 0 HB3 LEU A 70 -6.231 2.321 2.956 1.00 52.10 H new ATOM 0 HG LEU A 70 -3.520 2.366 4.308 1.00 73.42 H new ATOM 0 HD11 LEU A 70 -3.518 4.715 3.534 1.00 11.40 H new ATOM 0 HD12 LEU A 70 -3.656 3.575 2.174 1.00 11.40 H new ATOM 0 HD13 LEU A 70 -5.094 4.451 2.750 1.00 11.40 H new ATOM 0 HD21 LEU A 70 -4.428 4.133 5.754 1.00 43.12 H new ATOM 0 HD22 LEU A 70 -6.045 3.867 5.061 1.00 43.12 H new ATOM 0 HD23 LEU A 70 -5.258 2.579 6.005 1.00 43.12 H new ATOM 1059 N CYS A 71 -6.261 -0.540 2.203 1.00 64.05 N ATOM 1060 CA CYS A 71 -7.001 -1.397 1.289 1.00 14.11 C ATOM 1061 C CYS A 71 -6.122 -1.775 0.104 1.00 61.44 C ATOM 1062 O CYS A 71 -5.228 -1.021 -0.284 1.00 61.14 O ATOM 1063 CB CYS A 71 -8.260 -0.682 0.790 1.00 60.44 C ATOM 1064 SG CYS A 71 -9.365 -1.717 -0.199 1.00 53.33 S ATOM 0 H CYS A 71 -5.396 -0.161 1.817 1.00 64.05 H new ATOM 0 HA CYS A 71 -7.296 -2.301 1.822 1.00 14.11 H new ATOM 0 HB2 CYS A 71 -8.811 -0.301 1.650 1.00 60.44 H new ATOM 0 HB3 CYS A 71 -7.961 0.181 0.195 1.00 60.44 H new ATOM 0 HG CYS A 71 -10.489 -1.092 -0.390 1.00 53.33 H new ATOM 1069 N HIS A 72 -6.342 -2.961 -0.438 1.00 5.33 N ATOM 1070 CA HIS A 72 -5.624 -3.406 -1.622 1.00 43.34 C ATOM 1071 C HIS A 72 -6.544 -4.284 -2.478 1.00 75.51 C ATOM 1072 O HIS A 72 -7.746 -4.326 -2.223 1.00 31.15 O ATOM 1073 CB HIS A 72 -4.346 -4.155 -1.228 1.00 24.43 C ATOM 1074 CG HIS A 72 -3.225 -4.017 -2.222 1.00 1.53 C ATOM 1075 ND1 HIS A 72 -2.930 -4.976 -3.174 1.00 51.14 N ATOM 1076 CD2 HIS A 72 -2.307 -3.039 -2.388 1.00 0.53 C ATOM 1077 CE1 HIS A 72 -1.885 -4.587 -3.881 1.00 1.02 C ATOM 1078 NE2 HIS A 72 -1.487 -3.416 -3.425 1.00 53.23 N ATOM 0 H HIS A 72 -7.015 -3.636 -0.075 1.00 5.33 H new ATOM 0 HA HIS A 72 -5.325 -2.539 -2.211 1.00 43.34 H new ATOM 0 HB2 HIS A 72 -4.006 -3.788 -0.259 1.00 24.43 H new ATOM 0 HB3 HIS A 72 -4.580 -5.212 -1.104 1.00 24.43 H new ATOM 0 HD2 HIS A 72 -2.232 -2.129 -1.812 1.00 0.53 H new ATOM 0 HE1 HIS A 72 -1.433 -5.135 -4.695 1.00 1.02 H new ATOM 0 HE2 HIS A 72 -0.699 -2.877 -3.783 1.00 53.23 H new ATOM 1085 N TYR A 73 -5.958 -4.925 -3.499 1.00 2.12 N ATOM 1086 CA TYR A 73 -6.635 -5.860 -4.422 1.00 54.00 C ATOM 1087 C TYR A 73 -6.961 -5.191 -5.751 1.00 2.44 C ATOM 1088 O TYR A 73 -6.272 -5.426 -6.740 1.00 5.41 O ATOM 1089 CB TYR A 73 -7.894 -6.517 -3.832 1.00 4.45 C ATOM 1090 CG TYR A 73 -7.608 -7.577 -2.788 1.00 55.03 C ATOM 1091 CD1 TYR A 73 -7.006 -8.777 -3.138 1.00 51.51 C ATOM 1092 CD2 TYR A 73 -7.938 -7.375 -1.454 1.00 70.32 C ATOM 1093 CE1 TYR A 73 -6.742 -9.745 -2.190 1.00 4.32 C ATOM 1094 CE2 TYR A 73 -7.676 -8.338 -0.499 1.00 52.31 C ATOM 1095 CZ TYR A 73 -7.078 -9.522 -0.874 1.00 72.44 C ATOM 1096 OH TYR A 73 -6.809 -10.483 0.071 1.00 2.45 O ATOM 0 H TYR A 73 -4.968 -4.806 -3.716 1.00 2.12 H new ATOM 0 HA TYR A 73 -5.918 -6.664 -4.591 1.00 54.00 H new ATOM 0 HB2 TYR A 73 -8.520 -5.743 -3.387 1.00 4.45 H new ATOM 0 HB3 TYR A 73 -8.470 -6.966 -4.641 1.00 4.45 H new ATOM 0 HD1 TYR A 73 -6.740 -8.957 -4.169 1.00 51.51 H new ATOM 0 HD2 TYR A 73 -8.408 -6.449 -1.158 1.00 70.32 H new ATOM 0 HE1 TYR A 73 -6.274 -10.674 -2.480 1.00 4.32 H new ATOM 0 HE2 TYR A 73 -7.938 -8.164 0.534 1.00 52.31 H new ATOM 0 HH TYR A 73 -6.132 -11.102 -0.275 1.00 2.45 H new ATOM 1105 N PHE A 74 -7.983 -4.352 -5.777 1.00 72.24 N ATOM 1106 CA PHE A 74 -8.416 -3.726 -7.024 1.00 33.31 C ATOM 1107 C PHE A 74 -8.458 -2.206 -6.895 1.00 24.33 C ATOM 1108 O PHE A 74 -8.937 -1.518 -7.797 1.00 31.11 O ATOM 1109 CB PHE A 74 -9.787 -4.265 -7.435 1.00 43.31 C ATOM 1110 CG PHE A 74 -9.746 -5.618 -8.083 1.00 10.31 C ATOM 1111 CD1 PHE A 74 -9.357 -5.755 -9.406 1.00 62.43 C ATOM 1112 CD2 PHE A 74 -10.103 -6.751 -7.370 1.00 12.03 C ATOM 1113 CE1 PHE A 74 -9.325 -6.999 -10.007 1.00 53.04 C ATOM 1114 CE2 PHE A 74 -10.075 -7.997 -7.966 1.00 15.44 C ATOM 1115 CZ PHE A 74 -9.684 -8.123 -9.286 1.00 51.54 C ATOM 0 H PHE A 74 -8.528 -4.087 -4.957 1.00 72.24 H new ATOM 0 HA PHE A 74 -7.690 -3.975 -7.798 1.00 33.31 H new ATOM 0 HB2 PHE A 74 -10.424 -4.316 -6.552 1.00 43.31 H new ATOM 0 HB3 PHE A 74 -10.251 -3.559 -8.123 1.00 43.31 H new ATOM 0 HD1 PHE A 74 -9.076 -4.880 -9.973 1.00 62.43 H new ATOM 0 HD2 PHE A 74 -10.406 -6.659 -6.338 1.00 12.03 H new ATOM 0 HE1 PHE A 74 -9.020 -7.093 -11.039 1.00 53.04 H new ATOM 0 HE2 PHE A 74 -10.359 -8.873 -7.401 1.00 15.44 H new ATOM 0 HZ PHE A 74 -9.659 -9.097 -9.753 1.00 51.54 H new ATOM 1124 N LEU A 75 -7.948 -1.707 -5.767 1.00 14.24 N ATOM 1125 CA LEU A 75 -7.848 -0.269 -5.493 1.00 62.02 C ATOM 1126 C LEU A 75 -9.217 0.356 -5.215 1.00 64.01 C ATOM 1127 O LEU A 75 -10.134 0.288 -6.034 1.00 64.43 O ATOM 1128 CB LEU A 75 -7.150 0.473 -6.639 1.00 4.33 C ATOM 1129 CG LEU A 75 -6.814 1.937 -6.350 1.00 44.32 C ATOM 1130 CD1 LEU A 75 -5.815 2.035 -5.213 1.00 54.24 C ATOM 1131 CD2 LEU A 75 -6.271 2.615 -7.597 1.00 3.24 C ATOM 0 H LEU A 75 -7.590 -2.292 -5.012 1.00 14.24 H new ATOM 0 HA LEU A 75 -7.241 -0.164 -4.594 1.00 62.02 H new ATOM 0 HB2 LEU A 75 -6.228 -0.054 -6.885 1.00 4.33 H new ATOM 0 HB3 LEU A 75 -7.788 0.429 -7.522 1.00 4.33 H new ATOM 0 HG LEU A 75 -7.728 2.450 -6.052 1.00 44.32 H new ATOM 0 HD11 LEU A 75 -5.586 3.083 -5.019 1.00 54.24 H new ATOM 0 HD12 LEU A 75 -6.240 1.584 -4.316 1.00 54.24 H new ATOM 0 HD13 LEU A 75 -4.901 1.508 -5.486 1.00 54.24 H new ATOM 0 HD21 LEU A 75 -6.037 3.656 -7.373 1.00 3.24 H new ATOM 0 HD22 LEU A 75 -5.367 2.103 -7.925 1.00 3.24 H new ATOM 0 HD23 LEU A 75 -7.019 2.573 -8.389 1.00 3.24 H new ATOM 1142 N ASP A 76 -9.342 0.968 -4.047 1.00 11.32 N ATOM 1143 CA ASP A 76 -10.576 1.629 -3.649 1.00 41.02 C ATOM 1144 C ASP A 76 -10.624 3.060 -4.182 1.00 4.33 C ATOM 1145 O ASP A 76 -11.674 3.528 -4.624 1.00 64.33 O ATOM 1146 CB ASP A 76 -10.685 1.642 -2.124 1.00 11.21 C ATOM 1147 CG ASP A 76 -9.473 2.284 -1.480 1.00 34.43 C ATOM 1148 OD1 ASP A 76 -8.438 1.604 -1.350 1.00 45.31 O ATOM 1149 OD2 ASP A 76 -9.544 3.478 -1.131 1.00 42.53 O ATOM 0 H ASP A 76 -8.597 1.021 -3.353 1.00 11.32 H new ATOM 0 HA ASP A 76 -11.415 1.076 -4.071 1.00 41.02 H new ATOM 0 HB2 ASP A 76 -11.584 2.183 -1.828 1.00 11.21 H new ATOM 0 HB3 ASP A 76 -10.793 0.621 -1.758 1.00 11.21 H new ATOM 1153 N SER A 77 -9.476 3.742 -4.127 1.00 33.40 N ATOM 1154 CA SER A 77 -9.355 5.143 -4.547 1.00 10.03 C ATOM 1155 C SER A 77 -10.249 6.052 -3.706 1.00 34.01 C ATOM 1156 O SER A 77 -10.567 7.175 -4.105 1.00 22.42 O ATOM 1157 CB SER A 77 -9.705 5.294 -6.025 1.00 53.43 C ATOM 1158 OG SER A 77 -8.973 4.376 -6.818 1.00 44.51 O ATOM 0 H SER A 77 -8.602 3.338 -3.789 1.00 33.40 H new ATOM 0 HA SER A 77 -8.318 5.444 -4.395 1.00 10.03 H new ATOM 0 HB2 SER A 77 -10.773 5.132 -6.168 1.00 53.43 H new ATOM 0 HB3 SER A 77 -9.491 6.312 -6.351 1.00 53.43 H new ATOM 0 HG SER A 77 -9.216 4.491 -7.760 1.00 44.51 H new ATOM 1163 N ASP A 78 -10.622 5.578 -2.525 1.00 63.42 N ATOM 1164 CA ASP A 78 -11.550 6.300 -1.667 1.00 73.24 C ATOM 1165 C ASP A 78 -10.960 6.471 -0.275 1.00 51.10 C ATOM 1166 O ASP A 78 -10.863 7.584 0.249 1.00 3.53 O ATOM 1167 CB ASP A 78 -12.882 5.553 -1.582 1.00 72.54 C ATOM 1168 CG ASP A 78 -13.845 6.186 -0.600 1.00 51.04 C ATOM 1169 OD1 ASP A 78 -14.524 7.169 -0.973 1.00 33.42 O ATOM 1170 OD2 ASP A 78 -13.933 5.702 0.547 1.00 1.33 O ATOM 0 H ASP A 78 -10.294 4.693 -2.139 1.00 63.42 H new ATOM 0 HA ASP A 78 -11.725 7.286 -2.098 1.00 73.24 H new ATOM 0 HB2 ASP A 78 -13.342 5.526 -2.570 1.00 72.54 H new ATOM 0 HB3 ASP A 78 -12.696 4.520 -1.288 1.00 72.54 H new ATOM 1174 N VAL A 79 -10.542 5.361 0.306 1.00 24.11 N ATOM 1175 CA VAL A 79 -9.931 5.355 1.622 1.00 52.45 C ATOM 1176 C VAL A 79 -8.503 5.869 1.532 1.00 11.42 C ATOM 1177 O VAL A 79 -8.072 6.677 2.354 1.00 72.25 O ATOM 1178 CB VAL A 79 -9.951 3.944 2.241 1.00 33.42 C ATOM 1179 CG1 VAL A 79 -9.187 3.904 3.559 1.00 14.35 C ATOM 1180 CG2 VAL A 79 -11.384 3.492 2.447 1.00 4.21 C ATOM 0 H VAL A 79 -10.617 4.438 -0.122 1.00 24.11 H new ATOM 0 HA VAL A 79 -10.511 6.013 2.270 1.00 52.45 H new ATOM 0 HB VAL A 79 -9.455 3.262 1.550 1.00 33.42 H new ATOM 0 HG11 VAL A 79 -9.221 2.894 3.969 1.00 14.35 H new ATOM 0 HG12 VAL A 79 -8.150 4.191 3.387 1.00 14.35 H new ATOM 0 HG13 VAL A 79 -9.643 4.598 4.265 1.00 14.35 H new ATOM 0 HG21 VAL A 79 -11.391 2.494 2.885 1.00 4.21 H new ATOM 0 HG22 VAL A 79 -11.892 4.186 3.117 1.00 4.21 H new ATOM 0 HG23 VAL A 79 -11.900 3.471 1.487 1.00 4.21 H new ATOM 1190 N ILE A 80 -7.776 5.422 0.509 1.00 25.10 N ATOM 1191 CA ILE A 80 -6.440 5.942 0.259 1.00 41.02 C ATOM 1192 C ILE A 80 -6.529 7.414 -0.137 1.00 4.03 C ATOM 1193 O ILE A 80 -5.649 8.205 0.178 1.00 33.44 O ATOM 1194 CB ILE A 80 -5.684 5.147 -0.835 1.00 24.11 C ATOM 1195 CG1 ILE A 80 -4.282 5.716 -1.042 1.00 21.01 C ATOM 1196 CG2 ILE A 80 -6.448 5.170 -2.137 1.00 14.35 C ATOM 1197 CD1 ILE A 80 -3.408 5.588 0.173 1.00 24.24 C ATOM 0 H ILE A 80 -8.088 4.709 -0.151 1.00 25.10 H new ATOM 0 HA ILE A 80 -5.872 5.833 1.183 1.00 41.02 H new ATOM 0 HB ILE A 80 -5.597 4.113 -0.500 1.00 24.11 H new ATOM 0 HG12 ILE A 80 -3.808 5.203 -1.879 1.00 21.01 H new ATOM 0 HG13 ILE A 80 -4.360 6.768 -1.317 1.00 21.01 H new ATOM 0 HG21 ILE A 80 -5.899 4.606 -2.891 1.00 14.35 H new ATOM 0 HG22 ILE A 80 -7.430 4.720 -1.991 1.00 14.35 H new ATOM 0 HG23 ILE A 80 -6.567 6.201 -2.471 1.00 14.35 H new ATOM 0 HD11 ILE A 80 -2.426 6.011 -0.039 1.00 24.24 H new ATOM 0 HD12 ILE A 80 -3.862 6.125 1.006 1.00 24.24 H new ATOM 0 HD13 ILE A 80 -3.301 4.535 0.435 1.00 24.24 H new ATOM 1208 N GLY A 81 -7.623 7.777 -0.799 1.00 13.42 N ATOM 1209 CA GLY A 81 -7.840 9.162 -1.174 1.00 52.24 C ATOM 1210 C GLY A 81 -8.047 10.046 0.040 1.00 62.21 C ATOM 1211 O GLY A 81 -7.698 11.225 0.031 1.00 14.22 O ATOM 0 H GLY A 81 -8.364 7.136 -1.083 1.00 13.42 H new ATOM 0 HA2 GLY A 81 -6.984 9.523 -1.745 1.00 52.24 H new ATOM 0 HA3 GLY A 81 -8.710 9.230 -1.826 1.00 52.24 H new ATOM 1215 N ALA A 82 -8.606 9.461 1.090 1.00 50.03 N ATOM 1216 CA ALA A 82 -8.822 10.166 2.343 1.00 22.53 C ATOM 1217 C ALA A 82 -7.518 10.274 3.127 1.00 73.02 C ATOM 1218 O ALA A 82 -7.324 11.201 3.913 1.00 34.42 O ATOM 1219 CB ALA A 82 -9.875 9.443 3.171 1.00 73.45 C ATOM 0 H ALA A 82 -8.920 8.491 1.097 1.00 50.03 H new ATOM 0 HA ALA A 82 -9.175 11.173 2.121 1.00 22.53 H new ATOM 0 HB1 ALA A 82 -10.031 9.977 4.108 1.00 73.45 H new ATOM 0 HB2 ALA A 82 -10.812 9.404 2.615 1.00 73.45 H new ATOM 0 HB3 ALA A 82 -9.537 8.429 3.384 1.00 73.45 H new ATOM 1225 N TYR A 83 -6.627 9.313 2.905 1.00 31.23 N ATOM 1226 CA TYR A 83 -5.355 9.259 3.614 1.00 22.15 C ATOM 1227 C TYR A 83 -4.276 10.082 2.909 1.00 65.10 C ATOM 1228 O TYR A 83 -3.543 10.841 3.544 1.00 41.34 O ATOM 1229 CB TYR A 83 -4.899 7.803 3.744 1.00 31.23 C ATOM 1230 CG TYR A 83 -3.487 7.642 4.263 1.00 4.42 C ATOM 1231 CD1 TYR A 83 -3.188 7.842 5.606 1.00 55.53 C ATOM 1232 CD2 TYR A 83 -2.452 7.285 3.405 1.00 22.20 C ATOM 1233 CE1 TYR A 83 -1.898 7.693 6.076 1.00 62.23 C ATOM 1234 CE2 TYR A 83 -1.162 7.134 3.871 1.00 12.20 C ATOM 1235 CZ TYR A 83 -0.891 7.339 5.206 1.00 44.20 C ATOM 1236 OH TYR A 83 0.393 7.192 5.673 1.00 42.51 O ATOM 0 H TYR A 83 -6.765 8.557 2.235 1.00 31.23 H new ATOM 0 HA TYR A 83 -5.505 9.690 4.604 1.00 22.15 H new ATOM 0 HB2 TYR A 83 -5.582 7.278 4.412 1.00 31.23 H new ATOM 0 HB3 TYR A 83 -4.973 7.322 2.769 1.00 31.23 H new ATOM 0 HD1 TYR A 83 -3.976 8.118 6.291 1.00 55.53 H new ATOM 0 HD2 TYR A 83 -2.661 7.123 2.358 1.00 22.20 H new ATOM 0 HE1 TYR A 83 -1.680 7.853 7.122 1.00 62.23 H new ATOM 0 HE2 TYR A 83 -0.369 6.857 3.193 1.00 12.20 H new ATOM 0 HH TYR A 83 0.983 6.939 4.933 1.00 42.51 H new ATOM 1245 N LEU A 84 -4.190 9.929 1.596 1.00 54.13 N ATOM 1246 CA LEU A 84 -3.115 10.532 0.815 1.00 22.12 C ATOM 1247 C LEU A 84 -3.317 12.036 0.639 1.00 23.30 C ATOM 1248 O LEU A 84 -2.431 12.735 0.151 1.00 43.03 O ATOM 1249 CB LEU A 84 -3.007 9.831 -0.544 1.00 2.03 C ATOM 1250 CG LEU A 84 -1.667 9.136 -0.814 1.00 11.22 C ATOM 1251 CD1 LEU A 84 -0.588 10.159 -1.129 1.00 55.54 C ATOM 1252 CD2 LEU A 84 -1.243 8.291 0.376 1.00 71.11 C ATOM 0 H LEU A 84 -4.856 9.389 1.044 1.00 54.13 H new ATOM 0 HA LEU A 84 -2.181 10.399 1.361 1.00 22.12 H new ATOM 0 HB2 LEU A 84 -3.804 9.091 -0.618 1.00 2.03 H new ATOM 0 HB3 LEU A 84 -3.182 10.566 -1.329 1.00 2.03 H new ATOM 0 HG LEU A 84 -1.799 8.482 -1.676 1.00 11.22 H new ATOM 0 HD11 LEU A 84 0.355 9.647 -1.318 1.00 55.54 H new ATOM 0 HD12 LEU A 84 -0.874 10.729 -2.013 1.00 55.54 H new ATOM 0 HD13 LEU A 84 -0.470 10.836 -0.283 1.00 55.54 H new ATOM 0 HD21 LEU A 84 -0.290 7.809 0.159 1.00 71.11 H new ATOM 0 HD22 LEU A 84 -1.136 8.927 1.254 1.00 71.11 H new ATOM 0 HD23 LEU A 84 -1.999 7.530 0.569 1.00 71.11 H new ATOM 1263 N SER A 85 -4.476 12.526 1.045 1.00 65.24 N ATOM 1264 CA SER A 85 -4.746 13.952 1.028 1.00 3.12 C ATOM 1265 C SER A 85 -4.494 14.543 2.413 1.00 51.30 C ATOM 1266 O SER A 85 -4.131 13.825 3.341 1.00 0.00 O ATOM 1267 CB SER A 85 -6.187 14.208 0.586 1.00 33.21 C ATOM 1268 OG SER A 85 -6.461 13.562 -0.648 1.00 13.13 O ATOM 0 H SER A 85 -5.247 11.955 1.391 1.00 65.24 H new ATOM 0 HA SER A 85 -4.077 14.436 0.316 1.00 3.12 H new ATOM 0 HB2 SER A 85 -6.875 13.848 1.350 1.00 33.21 H new ATOM 0 HB3 SER A 85 -6.356 15.280 0.485 1.00 33.21 H new ATOM 0 HG SER A 85 -6.964 12.738 -0.481 1.00 13.13 H new TER 1273 SER A 85