USER MOD reduce.3.24.130724 H: found=0, std=0, add=729, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 727 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 45 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 50 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0704) USER MOD Set 2.1: A 46 LYS NZ :NH3+ 174:sc=-0.00124 (180deg=-0.194) USER MOD Set 2.2: A 81 TYR OH : rot -2:sc= -0.0426 USER MOD Set 3.1: A 37 GLN : amide:sc= 0.179 K(o=-0.13,f=-2) USER MOD Set 3.2: A 40 THR OG1 : rot 179:sc= -0.313 USER MOD Set 4.1: A 33 CYS SG : rot -48:sc= -0.0291 USER MOD Set 4.2: A 83 CYS SG : rot -178:sc= 0.115 USER MOD Set 5.1: A 28 SER OG : rot 106:sc= 0.269 USER MOD Set 5.2: A 71 GLN : amide:sc= 0.245 K(o=0.51,f=-2.2!) USER MOD Single : A 1 GLY N :NH3+ 132:sc= 0.0194 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 16:sc= 0.688 USER MOD Single : A 8 LYS NZ :NH3+ 162:sc= 0.24 (180deg=0.195) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= -5.51! C(o=-5.5!,f=-12!) USER MOD Single : A 18 HIS : no HE2:sc= -2.28! C(o=-2.3!,f=-6.2!) USER MOD Single : A 22 GLN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.0531 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=-0.04) USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.178 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= -0.782 USER MOD Single : A 54 SER OG : rot 180:sc= 0.0143 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ -165:sc=-0.00496 (180deg=-0.0812) USER MOD Single : A 64 CYS SG : rot 180:sc= -0.399 USER MOD Single : A 65 THR OG1 : rot 10:sc= 0.0944 USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 GLN : amide:sc= -0.747 K(o=-0.75,f=-1.9!) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 GLN : amide:sc= -1.59! C(o=-1.6!,f=-1.5!) USER MOD Single : A 91 SER OG : rot 180:sc= -0.0508 USER MOD Single : A 95 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 100 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.779 23.684 0.521 1.00 0.00 N ATOM 2 CA GLY A 1 -8.531 23.039 0.158 1.00 0.00 C ATOM 3 C GLY A 1 -7.331 23.677 0.831 1.00 0.00 C ATOM 4 O GLY A 1 -7.303 24.888 1.045 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.333 23.876 -0.338 1.00 0.00 H new ATOM 0 H2 GLY A 1 -10.322 23.060 1.151 1.00 0.00 H new ATOM 0 H3 GLY A 1 -9.578 24.579 1.010 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.578 21.985 0.430 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.404 23.084 -0.924 1.00 0.00 H new ATOM 8 N SER A 2 -6.339 22.859 1.167 1.00 0.00 N ATOM 9 CA SER A 2 -5.134 23.349 1.825 1.00 0.00 C ATOM 10 C SER A 2 -4.013 23.567 0.813 1.00 0.00 C ATOM 11 O SER A 2 -3.261 22.646 0.495 1.00 0.00 O ATOM 12 CB SER A 2 -4.679 22.364 2.903 1.00 0.00 C ATOM 13 OG SER A 2 -3.801 22.986 3.826 1.00 0.00 O ATOM 0 H SER A 2 -6.346 21.854 0.994 1.00 0.00 H new ATOM 0 HA SER A 2 -5.369 24.305 2.293 1.00 0.00 H new ATOM 0 HB2 SER A 2 -5.548 21.971 3.431 1.00 0.00 H new ATOM 0 HB3 SER A 2 -4.179 21.515 2.436 1.00 0.00 H new ATOM 0 HG SER A 2 -3.526 22.335 4.505 1.00 0.00 H new ATOM 19 N SER A 3 -3.907 24.793 0.311 1.00 0.00 N ATOM 20 CA SER A 3 -2.881 25.133 -0.668 1.00 0.00 C ATOM 21 C SER A 3 -2.205 26.453 -0.310 1.00 0.00 C ATOM 22 O SER A 3 -2.844 27.374 0.196 1.00 0.00 O ATOM 23 CB SER A 3 -3.492 25.222 -2.068 1.00 0.00 C ATOM 24 OG SER A 3 -4.446 26.267 -2.142 1.00 0.00 O ATOM 0 H SER A 3 -4.519 25.568 0.566 1.00 0.00 H new ATOM 0 HA SER A 3 -2.128 24.345 -0.658 1.00 0.00 H new ATOM 0 HB2 SER A 3 -2.704 25.392 -2.802 1.00 0.00 H new ATOM 0 HB3 SER A 3 -3.966 24.274 -2.322 1.00 0.00 H new ATOM 0 HG SER A 3 -4.821 26.304 -3.047 1.00 0.00 H new ATOM 30 N GLY A 4 -0.905 26.536 -0.578 1.00 0.00 N ATOM 31 CA GLY A 4 -0.162 27.746 -0.278 1.00 0.00 C ATOM 32 C GLY A 4 1.168 27.460 0.389 1.00 0.00 C ATOM 33 O GLY A 4 1.990 26.714 -0.144 1.00 0.00 O ATOM 0 H GLY A 4 -0.354 25.787 -0.997 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.010 28.301 -1.200 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -0.761 28.384 0.372 1.00 0.00 H new ATOM 37 N SER A 5 1.382 28.055 1.558 1.00 0.00 N ATOM 38 CA SER A 5 2.625 27.864 2.297 1.00 0.00 C ATOM 39 C SER A 5 2.906 26.380 2.512 1.00 0.00 C ATOM 40 O SER A 5 4.001 25.896 2.225 1.00 0.00 O ATOM 41 CB SER A 5 2.557 28.582 3.646 1.00 0.00 C ATOM 42 OG SER A 5 2.943 29.940 3.520 1.00 0.00 O ATOM 0 H SER A 5 0.711 28.673 2.014 1.00 0.00 H new ATOM 0 HA SER A 5 3.438 28.289 1.708 1.00 0.00 H new ATOM 0 HB2 SER A 5 1.543 28.524 4.042 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.208 28.080 4.362 1.00 0.00 H new ATOM 0 HG SER A 5 2.890 30.378 4.395 1.00 0.00 H new ATOM 48 N SER A 6 1.909 25.662 3.020 1.00 0.00 N ATOM 49 CA SER A 6 2.049 24.234 3.278 1.00 0.00 C ATOM 50 C SER A 6 2.785 23.545 2.133 1.00 0.00 C ATOM 51 O SER A 6 2.352 23.594 0.983 1.00 0.00 O ATOM 52 CB SER A 6 0.674 23.593 3.475 1.00 0.00 C ATOM 53 OG SER A 6 -0.038 23.527 2.251 1.00 0.00 O ATOM 0 H SER A 6 0.995 26.046 3.261 1.00 0.00 H new ATOM 0 HA SER A 6 2.634 24.110 4.189 1.00 0.00 H new ATOM 0 HB2 SER A 6 0.792 22.590 3.885 1.00 0.00 H new ATOM 0 HB3 SER A 6 0.101 24.169 4.202 1.00 0.00 H new ATOM 0 HG SER A 6 0.582 23.663 1.504 1.00 0.00 H new ATOM 59 N GLY A 7 3.902 22.901 2.458 1.00 0.00 N ATOM 60 CA GLY A 7 4.682 22.211 1.447 1.00 0.00 C ATOM 61 C GLY A 7 5.626 21.185 2.043 1.00 0.00 C ATOM 62 O GLY A 7 6.772 21.061 1.612 1.00 0.00 O ATOM 0 H GLY A 7 4.281 22.845 3.403 1.00 0.00 H new ATOM 0 HA2 GLY A 7 4.008 21.717 0.747 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.256 22.940 0.875 1.00 0.00 H new ATOM 66 N LYS A 8 5.144 20.449 3.039 1.00 0.00 N ATOM 67 CA LYS A 8 5.952 19.429 3.697 1.00 0.00 C ATOM 68 C LYS A 8 5.895 18.112 2.930 1.00 0.00 C ATOM 69 O LYS A 8 4.889 17.403 2.968 1.00 0.00 O ATOM 70 CB LYS A 8 5.471 19.216 5.134 1.00 0.00 C ATOM 71 CG LYS A 8 6.194 18.093 5.857 1.00 0.00 C ATOM 72 CD LYS A 8 7.500 18.574 6.469 1.00 0.00 C ATOM 73 CE LYS A 8 8.461 17.420 6.709 1.00 0.00 C ATOM 74 NZ LYS A 8 9.192 17.039 5.469 1.00 0.00 N ATOM 0 H LYS A 8 4.198 20.540 3.408 1.00 0.00 H new ATOM 0 HA LYS A 8 6.985 19.775 3.714 1.00 0.00 H new ATOM 0 HB2 LYS A 8 5.604 20.142 5.694 1.00 0.00 H new ATOM 0 HB3 LYS A 8 4.403 19.001 5.123 1.00 0.00 H new ATOM 0 HG2 LYS A 8 5.551 17.690 6.639 1.00 0.00 H new ATOM 0 HG3 LYS A 8 6.396 17.280 5.159 1.00 0.00 H new ATOM 0 HD2 LYS A 8 7.965 19.305 5.808 1.00 0.00 H new ATOM 0 HD3 LYS A 8 7.296 19.081 7.412 1.00 0.00 H new ATOM 0 HE2 LYS A 8 9.178 17.699 7.482 1.00 0.00 H new ATOM 0 HE3 LYS A 8 7.908 16.559 7.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 10.033 16.481 5.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 8.569 16.472 4.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 9.485 17.898 4.961 1.00 0.00 H new ATOM 88 N VAL A 9 6.981 17.789 2.235 1.00 0.00 N ATOM 89 CA VAL A 9 7.055 16.556 1.461 1.00 0.00 C ATOM 90 C VAL A 9 7.682 15.431 2.277 1.00 0.00 C ATOM 91 O VAL A 9 8.719 15.616 2.914 1.00 0.00 O ATOM 92 CB VAL A 9 7.869 16.752 0.168 1.00 0.00 C ATOM 93 CG1 VAL A 9 8.031 15.430 -0.567 1.00 0.00 C ATOM 94 CG2 VAL A 9 7.207 17.791 -0.725 1.00 0.00 C ATOM 0 H VAL A 9 7.822 18.365 2.192 1.00 0.00 H new ATOM 0 HA VAL A 9 6.032 16.285 1.200 1.00 0.00 H new ATOM 0 HB VAL A 9 8.861 17.115 0.435 1.00 0.00 H new ATOM 0 HG11 VAL A 9 8.609 15.588 -1.478 1.00 0.00 H new ATOM 0 HG12 VAL A 9 8.552 14.719 0.074 1.00 0.00 H new ATOM 0 HG13 VAL A 9 7.049 15.034 -0.825 1.00 0.00 H new ATOM 0 HG21 VAL A 9 7.795 17.917 -1.634 1.00 0.00 H new ATOM 0 HG22 VAL A 9 6.202 17.459 -0.986 1.00 0.00 H new ATOM 0 HG23 VAL A 9 7.149 18.742 -0.195 1.00 0.00 H new ATOM 104 N VAL A 10 7.046 14.264 2.254 1.00 0.00 N ATOM 105 CA VAL A 10 7.543 13.108 2.991 1.00 0.00 C ATOM 106 C VAL A 10 8.157 12.079 2.049 1.00 0.00 C ATOM 107 O VAL A 10 9.166 11.451 2.371 1.00 0.00 O ATOM 108 CB VAL A 10 6.420 12.438 3.805 1.00 0.00 C ATOM 109 CG1 VAL A 10 6.958 11.236 4.566 1.00 0.00 C ATOM 110 CG2 VAL A 10 5.782 13.439 4.756 1.00 0.00 C ATOM 0 H VAL A 10 6.186 14.094 1.733 1.00 0.00 H new ATOM 0 HA VAL A 10 8.310 13.473 3.675 1.00 0.00 H new ATOM 0 HB VAL A 10 5.653 12.088 3.114 1.00 0.00 H new ATOM 0 HG11 VAL A 10 6.151 10.775 5.136 1.00 0.00 H new ATOM 0 HG12 VAL A 10 7.365 10.511 3.861 1.00 0.00 H new ATOM 0 HG13 VAL A 10 7.745 11.559 5.248 1.00 0.00 H new ATOM 0 HG21 VAL A 10 4.991 12.949 5.323 1.00 0.00 H new ATOM 0 HG22 VAL A 10 6.537 13.821 5.443 1.00 0.00 H new ATOM 0 HG23 VAL A 10 5.360 14.266 4.185 1.00 0.00 H new ATOM 120 N PHE A 11 7.541 11.910 0.883 1.00 0.00 N ATOM 121 CA PHE A 11 8.027 10.955 -0.106 1.00 0.00 C ATOM 122 C PHE A 11 8.876 11.653 -1.165 1.00 0.00 C ATOM 123 O PHE A 11 9.131 12.854 -1.078 1.00 0.00 O ATOM 124 CB PHE A 11 6.852 10.236 -0.772 1.00 0.00 C ATOM 125 CG PHE A 11 6.139 9.280 0.142 1.00 0.00 C ATOM 126 CD1 PHE A 11 6.804 8.190 0.680 1.00 0.00 C ATOM 127 CD2 PHE A 11 4.805 9.470 0.461 1.00 0.00 C ATOM 128 CE1 PHE A 11 6.152 7.308 1.521 1.00 0.00 C ATOM 129 CE2 PHE A 11 4.147 8.592 1.302 1.00 0.00 C ATOM 130 CZ PHE A 11 4.821 7.509 1.832 1.00 0.00 C ATOM 0 H PHE A 11 6.705 12.422 0.600 1.00 0.00 H new ATOM 0 HA PHE A 11 8.649 10.222 0.408 1.00 0.00 H new ATOM 0 HB2 PHE A 11 6.141 10.978 -1.135 1.00 0.00 H new ATOM 0 HB3 PHE A 11 7.216 9.691 -1.643 1.00 0.00 H new ATOM 0 HD1 PHE A 11 7.844 8.028 0.439 1.00 0.00 H new ATOM 0 HD2 PHE A 11 4.272 10.314 0.048 1.00 0.00 H new ATOM 0 HE1 PHE A 11 6.682 6.463 1.934 1.00 0.00 H new ATOM 0 HE2 PHE A 11 3.107 8.753 1.544 1.00 0.00 H new ATOM 0 HZ PHE A 11 4.309 6.821 2.488 1.00 0.00 H new ATOM 140 N ALA A 12 9.310 10.892 -2.164 1.00 0.00 N ATOM 141 CA ALA A 12 10.128 11.437 -3.240 1.00 0.00 C ATOM 142 C ALA A 12 9.344 12.450 -4.067 1.00 0.00 C ATOM 143 O ALA A 12 8.188 12.749 -3.768 1.00 0.00 O ATOM 144 CB ALA A 12 10.647 10.315 -4.128 1.00 0.00 C ATOM 0 H ALA A 12 9.109 9.896 -2.250 1.00 0.00 H new ATOM 0 HA ALA A 12 10.977 11.953 -2.792 1.00 0.00 H new ATOM 0 HB1 ALA A 12 11.256 10.736 -4.928 1.00 0.00 H new ATOM 0 HB2 ALA A 12 11.252 9.630 -3.533 1.00 0.00 H new ATOM 0 HB3 ALA A 12 9.805 9.774 -4.560 1.00 0.00 H new ATOM 150 N LYS A 13 9.980 12.975 -5.108 1.00 0.00 N ATOM 151 CA LYS A 13 9.342 13.955 -5.980 1.00 0.00 C ATOM 152 C LYS A 13 9.203 13.412 -7.399 1.00 0.00 C ATOM 153 O LYS A 13 8.432 13.938 -8.201 1.00 0.00 O ATOM 154 CB LYS A 13 10.150 15.255 -5.998 1.00 0.00 C ATOM 155 CG LYS A 13 11.632 15.046 -6.257 1.00 0.00 C ATOM 156 CD LYS A 13 12.402 14.848 -4.962 1.00 0.00 C ATOM 157 CE LYS A 13 12.896 16.171 -4.398 1.00 0.00 C ATOM 158 NZ LYS A 13 13.254 16.061 -2.957 1.00 0.00 N ATOM 0 H LYS A 13 10.937 12.739 -5.369 1.00 0.00 H new ATOM 0 HA LYS A 13 8.346 14.158 -5.588 1.00 0.00 H new ATOM 0 HB2 LYS A 13 9.745 15.914 -6.766 1.00 0.00 H new ATOM 0 HB3 LYS A 13 10.025 15.764 -5.042 1.00 0.00 H new ATOM 0 HG2 LYS A 13 11.771 14.177 -6.900 1.00 0.00 H new ATOM 0 HG3 LYS A 13 12.034 15.906 -6.792 1.00 0.00 H new ATOM 0 HD2 LYS A 13 11.763 14.355 -4.229 1.00 0.00 H new ATOM 0 HD3 LYS A 13 13.251 14.188 -5.140 1.00 0.00 H new ATOM 0 HE2 LYS A 13 13.766 16.505 -4.964 1.00 0.00 H new ATOM 0 HE3 LYS A 13 12.124 16.930 -4.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 13.586 16.984 -2.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 12.418 15.767 -2.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 14.009 15.355 -2.840 1.00 0.00 H new ATOM 172 N GLU A 14 9.952 12.356 -7.699 1.00 0.00 N ATOM 173 CA GLU A 14 9.911 11.742 -9.022 1.00 0.00 C ATOM 174 C GLU A 14 9.166 10.411 -8.980 1.00 0.00 C ATOM 175 O GLU A 14 9.530 9.463 -9.675 1.00 0.00 O ATOM 176 CB GLU A 14 11.329 11.529 -9.554 1.00 0.00 C ATOM 177 CG GLU A 14 12.322 11.101 -8.487 1.00 0.00 C ATOM 178 CD GLU A 14 13.714 10.871 -9.044 1.00 0.00 C ATOM 179 OE1 GLU A 14 14.222 11.760 -9.758 1.00 0.00 O ATOM 180 OE2 GLU A 14 14.294 9.801 -8.764 1.00 0.00 O ATOM 0 H GLU A 14 10.594 11.908 -7.045 1.00 0.00 H new ATOM 0 HA GLU A 14 9.378 12.417 -9.692 1.00 0.00 H new ATOM 0 HB2 GLU A 14 11.304 10.773 -10.339 1.00 0.00 H new ATOM 0 HB3 GLU A 14 11.678 12.454 -10.013 1.00 0.00 H new ATOM 0 HG2 GLU A 14 12.367 11.865 -7.711 1.00 0.00 H new ATOM 0 HG3 GLU A 14 11.968 10.185 -8.013 1.00 0.00 H new ATOM 187 N GLN A 15 8.122 10.349 -8.160 1.00 0.00 N ATOM 188 CA GLN A 15 7.326 9.134 -8.027 1.00 0.00 C ATOM 189 C GLN A 15 5.843 9.431 -8.220 1.00 0.00 C ATOM 190 O GLN A 15 5.331 10.467 -7.794 1.00 0.00 O ATOM 191 CB GLN A 15 7.557 8.496 -6.655 1.00 0.00 C ATOM 192 CG GLN A 15 7.252 9.427 -5.493 1.00 0.00 C ATOM 193 CD GLN A 15 7.192 8.700 -4.164 1.00 0.00 C ATOM 194 OE1 GLN A 15 6.221 8.825 -3.417 1.00 0.00 O ATOM 195 NE2 GLN A 15 8.234 7.934 -3.860 1.00 0.00 N ATOM 0 H GLN A 15 7.808 11.125 -7.578 1.00 0.00 H new ATOM 0 HA GLN A 15 7.641 8.436 -8.802 1.00 0.00 H new ATOM 0 HB2 GLN A 15 6.936 7.605 -6.569 1.00 0.00 H new ATOM 0 HB3 GLN A 15 8.595 8.169 -6.585 1.00 0.00 H new ATOM 0 HG2 GLN A 15 8.016 10.203 -5.444 1.00 0.00 H new ATOM 0 HG3 GLN A 15 6.300 9.927 -5.673 1.00 0.00 H new ATOM 0 HE21 GLN A 15 9.018 7.859 -4.508 1.00 0.00 H new ATOM 0 HE22 GLN A 15 8.250 7.421 -2.978 1.00 0.00 H new ATOM 204 N PRO A 16 5.133 8.501 -8.877 1.00 0.00 N ATOM 205 CA PRO A 16 3.698 8.641 -9.141 1.00 0.00 C ATOM 206 C PRO A 16 2.861 8.523 -7.872 1.00 0.00 C ATOM 207 O PRO A 16 3.054 7.608 -7.073 1.00 0.00 O ATOM 208 CB PRO A 16 3.398 7.477 -10.089 1.00 0.00 C ATOM 209 CG PRO A 16 4.448 6.464 -9.791 1.00 0.00 C ATOM 210 CD PRO A 16 5.678 7.242 -9.412 1.00 0.00 C ATOM 0 HA PRO A 16 3.453 9.620 -9.553 1.00 0.00 H new ATOM 0 HB2 PRO A 16 2.400 7.074 -9.918 1.00 0.00 H new ATOM 0 HB3 PRO A 16 3.439 7.795 -11.131 1.00 0.00 H new ATOM 0 HG2 PRO A 16 4.137 5.806 -8.979 1.00 0.00 H new ATOM 0 HG3 PRO A 16 4.638 5.832 -10.658 1.00 0.00 H new ATOM 0 HD2 PRO A 16 6.274 6.714 -8.668 1.00 0.00 H new ATOM 0 HD3 PRO A 16 6.324 7.417 -10.272 1.00 0.00 H new ATOM 218 N ALA A 17 1.931 9.456 -7.694 1.00 0.00 N ATOM 219 CA ALA A 17 1.063 9.455 -6.523 1.00 0.00 C ATOM 220 C ALA A 17 0.514 8.059 -6.248 1.00 0.00 C ATOM 221 O ALA A 17 0.524 7.591 -5.109 1.00 0.00 O ATOM 222 CB ALA A 17 -0.077 10.445 -6.711 1.00 0.00 C ATOM 0 H ALA A 17 1.760 10.222 -8.346 1.00 0.00 H new ATOM 0 HA ALA A 17 1.656 9.760 -5.661 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -0.718 10.434 -5.829 1.00 0.00 H new ATOM 0 HB2 ALA A 17 0.330 11.446 -6.851 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -0.661 10.165 -7.587 1.00 0.00 H new ATOM 228 N HIS A 18 0.034 7.399 -7.297 1.00 0.00 N ATOM 229 CA HIS A 18 -0.520 6.056 -7.168 1.00 0.00 C ATOM 230 C HIS A 18 -0.010 5.149 -8.284 1.00 0.00 C ATOM 231 O HIS A 18 -0.148 5.464 -9.466 1.00 0.00 O ATOM 232 CB HIS A 18 -2.047 6.107 -7.194 1.00 0.00 C ATOM 233 CG HIS A 18 -2.679 4.865 -7.744 1.00 0.00 C ATOM 234 ND1 HIS A 18 -2.347 3.598 -7.314 1.00 0.00 N ATOM 235 CD2 HIS A 18 -3.629 4.701 -8.694 1.00 0.00 C ATOM 236 CE1 HIS A 18 -3.064 2.708 -7.976 1.00 0.00 C ATOM 237 NE2 HIS A 18 -3.850 3.352 -8.820 1.00 0.00 N ATOM 0 H HIS A 18 0.017 7.772 -8.246 1.00 0.00 H new ATOM 0 HA HIS A 18 -0.194 5.645 -6.212 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -2.414 6.274 -6.181 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -2.364 6.961 -7.792 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -1.655 3.382 -6.596 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -4.121 5.485 -9.249 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -3.016 1.637 -7.849 1.00 0.00 H new ATOM 246 N ARG A 19 0.580 4.021 -7.900 1.00 0.00 N ATOM 247 CA ARG A 19 1.112 3.070 -8.868 1.00 0.00 C ATOM 248 C ARG A 19 0.297 1.780 -8.866 1.00 0.00 C ATOM 249 O ARG A 19 -0.350 1.445 -7.874 1.00 0.00 O ATOM 250 CB ARG A 19 2.578 2.760 -8.557 1.00 0.00 C ATOM 251 CG ARG A 19 3.260 1.916 -9.622 1.00 0.00 C ATOM 252 CD ARG A 19 4.732 1.703 -9.304 1.00 0.00 C ATOM 253 NE ARG A 19 5.526 1.486 -10.510 1.00 0.00 N ATOM 254 CZ ARG A 19 6.849 1.606 -10.551 1.00 0.00 C ATOM 255 NH1 ARG A 19 7.521 1.939 -9.458 1.00 0.00 N ATOM 256 NH2 ARG A 19 7.501 1.392 -11.687 1.00 0.00 N ATOM 0 H ARG A 19 0.701 3.744 -6.926 1.00 0.00 H new ATOM 0 HA ARG A 19 1.045 3.521 -9.858 1.00 0.00 H new ATOM 0 HB2 ARG A 19 3.123 3.697 -8.444 1.00 0.00 H new ATOM 0 HB3 ARG A 19 2.636 2.240 -7.601 1.00 0.00 H new ATOM 0 HG2 ARG A 19 2.760 0.951 -9.699 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.163 2.404 -10.592 1.00 0.00 H new ATOM 0 HD2 ARG A 19 5.116 2.571 -8.768 1.00 0.00 H new ATOM 0 HD3 ARG A 19 4.839 0.845 -8.640 1.00 0.00 H new ATOM 0 HE ARG A 19 5.039 1.228 -11.368 1.00 0.00 H new ATOM 0 HH11 ARG A 19 7.023 2.104 -8.583 1.00 0.00 H new ATOM 0 HH12 ARG A 19 8.536 2.031 -9.492 1.00 0.00 H new ATOM 0 HH21 ARG A 19 6.987 1.135 -12.530 1.00 0.00 H new ATOM 0 HH22 ARG A 19 8.516 1.484 -11.717 1.00 0.00 H new ATOM 270 N GLU A 20 0.334 1.061 -9.984 1.00 0.00 N ATOM 271 CA GLU A 20 -0.403 -0.191 -10.111 1.00 0.00 C ATOM 272 C GLU A 20 0.540 -1.388 -10.030 1.00 0.00 C ATOM 273 O GLU A 20 1.617 -1.386 -10.628 1.00 0.00 O ATOM 274 CB GLU A 20 -1.174 -0.223 -11.432 1.00 0.00 C ATOM 275 CG GLU A 20 -2.203 0.887 -11.564 1.00 0.00 C ATOM 276 CD GLU A 20 -3.215 0.617 -12.660 1.00 0.00 C ATOM 277 OE1 GLU A 20 -2.797 0.427 -13.821 1.00 0.00 O ATOM 278 OE2 GLU A 20 -4.427 0.595 -12.355 1.00 0.00 O ATOM 0 H GLU A 20 0.866 1.324 -10.814 1.00 0.00 H new ATOM 0 HA GLU A 20 -1.111 -0.252 -9.284 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.466 -0.151 -12.258 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -1.676 -1.186 -11.526 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -2.725 1.008 -10.615 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -1.693 1.828 -11.770 1.00 0.00 H new ATOM 285 N VAL A 21 0.128 -2.410 -9.286 1.00 0.00 N ATOM 286 CA VAL A 21 0.935 -3.614 -9.127 1.00 0.00 C ATOM 287 C VAL A 21 0.107 -4.868 -9.383 1.00 0.00 C ATOM 288 O VAL A 21 -0.986 -5.023 -8.840 1.00 0.00 O ATOM 289 CB VAL A 21 1.548 -3.696 -7.717 1.00 0.00 C ATOM 290 CG1 VAL A 21 2.354 -4.977 -7.558 1.00 0.00 C ATOM 291 CG2 VAL A 21 2.413 -2.475 -7.440 1.00 0.00 C ATOM 0 H VAL A 21 -0.760 -2.428 -8.784 1.00 0.00 H new ATOM 0 HA VAL A 21 1.738 -3.556 -9.862 1.00 0.00 H new ATOM 0 HB VAL A 21 0.738 -3.712 -6.988 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.779 -5.017 -6.555 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.703 -5.838 -7.711 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.158 -4.995 -8.294 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.838 -2.550 -6.439 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.218 -2.425 -8.173 1.00 0.00 H new ATOM 0 HG23 VAL A 21 1.803 -1.574 -7.509 1.00 0.00 H new ATOM 301 N GLN A 22 0.636 -5.760 -10.214 1.00 0.00 N ATOM 302 CA GLN A 22 -0.055 -7.002 -10.542 1.00 0.00 C ATOM 303 C GLN A 22 0.712 -8.208 -10.011 1.00 0.00 C ATOM 304 O GLN A 22 1.934 -8.167 -9.869 1.00 0.00 O ATOM 305 CB GLN A 22 -0.236 -7.124 -12.056 1.00 0.00 C ATOM 306 CG GLN A 22 -1.135 -8.278 -12.469 1.00 0.00 C ATOM 307 CD GLN A 22 -1.312 -8.371 -13.972 1.00 0.00 C ATOM 308 OE1 GLN A 22 -1.075 -7.405 -14.697 1.00 0.00 O ATOM 309 NE2 GLN A 22 -1.729 -9.539 -14.448 1.00 0.00 N ATOM 0 H GLN A 22 1.540 -5.646 -10.672 1.00 0.00 H new ATOM 0 HA GLN A 22 -1.035 -6.980 -10.066 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -0.654 -6.193 -12.440 1.00 0.00 H new ATOM 0 HB3 GLN A 22 0.741 -7.251 -12.522 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -0.714 -9.212 -12.098 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -2.111 -8.159 -11.999 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -1.913 -10.313 -13.810 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -1.865 -9.662 -15.451 1.00 0.00 H new ATOM 318 N ALA A 23 -0.014 -9.282 -9.717 1.00 0.00 N ATOM 319 CA ALA A 23 0.598 -10.501 -9.203 1.00 0.00 C ATOM 320 C ALA A 23 -0.269 -11.719 -9.503 1.00 0.00 C ATOM 321 O ALA A 23 -1.401 -11.587 -9.965 1.00 0.00 O ATOM 322 CB ALA A 23 0.841 -10.379 -7.706 1.00 0.00 C ATOM 0 H ALA A 23 -1.027 -9.332 -9.826 1.00 0.00 H new ATOM 0 HA ALA A 23 1.556 -10.637 -9.705 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.298 -11.296 -7.336 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.507 -9.538 -7.513 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -0.108 -10.215 -7.196 1.00 0.00 H new ATOM 328 N GLU A 24 0.272 -12.904 -9.237 1.00 0.00 N ATOM 329 CA GLU A 24 -0.453 -14.146 -9.481 1.00 0.00 C ATOM 330 C GLU A 24 -0.862 -14.804 -8.166 1.00 0.00 C ATOM 331 O GLU A 24 -0.205 -14.627 -7.141 1.00 0.00 O ATOM 332 CB GLU A 24 0.405 -15.111 -10.302 1.00 0.00 C ATOM 333 CG GLU A 24 0.593 -14.679 -11.746 1.00 0.00 C ATOM 334 CD GLU A 24 0.773 -15.854 -12.688 1.00 0.00 C ATOM 335 OE1 GLU A 24 1.706 -16.654 -12.466 1.00 0.00 O ATOM 336 OE2 GLU A 24 -0.019 -15.974 -13.646 1.00 0.00 O ATOM 0 H GLU A 24 1.209 -13.030 -8.853 1.00 0.00 H new ATOM 0 HA GLU A 24 -1.355 -13.906 -10.043 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.383 -15.206 -9.830 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -0.055 -16.099 -10.284 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -0.271 -14.094 -12.062 1.00 0.00 H new ATOM 0 HG3 GLU A 24 1.463 -14.026 -11.816 1.00 0.00 H new ATOM 343 N ALA A 25 -1.952 -15.564 -8.205 1.00 0.00 N ATOM 344 CA ALA A 25 -2.448 -16.250 -7.019 1.00 0.00 C ATOM 345 C ALA A 25 -1.389 -17.183 -6.441 1.00 0.00 C ATOM 346 O ALA A 25 -0.903 -18.084 -7.123 1.00 0.00 O ATOM 347 CB ALA A 25 -3.714 -17.025 -7.348 1.00 0.00 C ATOM 0 H ALA A 25 -2.508 -15.720 -9.046 1.00 0.00 H new ATOM 0 HA ALA A 25 -2.682 -15.498 -6.266 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -4.073 -17.532 -6.453 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -4.479 -16.337 -7.707 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -3.499 -17.763 -8.121 1.00 0.00 H new ATOM 353 N GLY A 26 -1.035 -16.960 -5.179 1.00 0.00 N ATOM 354 CA GLY A 26 -0.035 -17.789 -4.532 1.00 0.00 C ATOM 355 C GLY A 26 1.355 -17.188 -4.609 1.00 0.00 C ATOM 356 O GLY A 26 2.242 -17.559 -3.841 1.00 0.00 O ATOM 0 H GLY A 26 -1.423 -16.220 -4.593 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -0.308 -17.933 -3.487 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -0.028 -18.774 -4.998 1.00 0.00 H new ATOM 360 N ALA A 27 1.545 -16.258 -5.539 1.00 0.00 N ATOM 361 CA ALA A 27 2.836 -15.605 -5.713 1.00 0.00 C ATOM 362 C ALA A 27 3.096 -14.597 -4.598 1.00 0.00 C ATOM 363 O ALA A 27 2.203 -14.283 -3.812 1.00 0.00 O ATOM 364 CB ALA A 27 2.903 -14.921 -7.071 1.00 0.00 C ATOM 0 H ALA A 27 0.821 -15.940 -6.183 1.00 0.00 H new ATOM 0 HA ALA A 27 3.611 -16.370 -5.665 1.00 0.00 H new ATOM 0 HB1 ALA A 27 3.873 -14.437 -7.187 1.00 0.00 H new ATOM 0 HB2 ALA A 27 2.770 -15.663 -7.859 1.00 0.00 H new ATOM 0 HB3 ALA A 27 2.114 -14.173 -7.141 1.00 0.00 H new ATOM 370 N SER A 28 4.326 -14.096 -4.535 1.00 0.00 N ATOM 371 CA SER A 28 4.704 -13.127 -3.513 1.00 0.00 C ATOM 372 C SER A 28 4.888 -11.740 -4.121 1.00 0.00 C ATOM 373 O SER A 28 5.919 -11.447 -4.725 1.00 0.00 O ATOM 374 CB SER A 28 5.994 -13.566 -2.817 1.00 0.00 C ATOM 375 OG SER A 28 6.053 -13.070 -1.491 1.00 0.00 O ATOM 0 H SER A 28 5.077 -14.345 -5.179 1.00 0.00 H new ATOM 0 HA SER A 28 3.901 -13.079 -2.778 1.00 0.00 H new ATOM 0 HB2 SER A 28 6.052 -14.654 -2.804 1.00 0.00 H new ATOM 0 HB3 SER A 28 6.855 -13.208 -3.381 1.00 0.00 H new ATOM 0 HG SER A 28 5.878 -13.800 -0.861 1.00 0.00 H new ATOM 381 N ALA A 29 3.880 -10.890 -3.955 1.00 0.00 N ATOM 382 CA ALA A 29 3.930 -9.533 -4.485 1.00 0.00 C ATOM 383 C ALA A 29 4.919 -8.675 -3.704 1.00 0.00 C ATOM 384 O ALA A 29 5.366 -9.054 -2.621 1.00 0.00 O ATOM 385 CB ALA A 29 2.544 -8.904 -4.456 1.00 0.00 C ATOM 0 H ALA A 29 3.019 -11.117 -3.458 1.00 0.00 H new ATOM 0 HA ALA A 29 4.272 -9.585 -5.519 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.596 -7.891 -4.855 1.00 0.00 H new ATOM 0 HB2 ALA A 29 1.862 -9.499 -5.064 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.181 -8.872 -3.429 1.00 0.00 H new ATOM 391 N THR A 30 5.258 -7.516 -4.260 1.00 0.00 N ATOM 392 CA THR A 30 6.196 -6.605 -3.617 1.00 0.00 C ATOM 393 C THR A 30 5.919 -5.160 -4.014 1.00 0.00 C ATOM 394 O THR A 30 6.165 -4.759 -5.153 1.00 0.00 O ATOM 395 CB THR A 30 7.653 -6.953 -3.975 1.00 0.00 C ATOM 396 OG1 THR A 30 7.931 -8.315 -3.630 1.00 0.00 O ATOM 397 CG2 THR A 30 8.623 -6.033 -3.250 1.00 0.00 C ATOM 0 H THR A 30 4.896 -7.186 -5.155 1.00 0.00 H new ATOM 0 HA THR A 30 6.057 -6.717 -2.542 1.00 0.00 H new ATOM 0 HB THR A 30 7.782 -6.817 -5.049 1.00 0.00 H new ATOM 0 HG1 THR A 30 8.859 -8.528 -3.862 1.00 0.00 H new ATOM 0 HG21 THR A 30 9.646 -6.298 -3.519 1.00 0.00 H new ATOM 0 HG22 THR A 30 8.428 -5.000 -3.538 1.00 0.00 H new ATOM 0 HG23 THR A 30 8.491 -6.141 -2.173 1.00 0.00 H new ATOM 405 N LEU A 31 5.405 -4.380 -3.069 1.00 0.00 N ATOM 406 CA LEU A 31 5.095 -2.976 -3.320 1.00 0.00 C ATOM 407 C LEU A 31 6.209 -2.071 -2.804 1.00 0.00 C ATOM 408 O LEU A 31 6.251 -1.735 -1.621 1.00 0.00 O ATOM 409 CB LEU A 31 3.769 -2.601 -2.657 1.00 0.00 C ATOM 410 CG LEU A 31 2.643 -3.628 -2.778 1.00 0.00 C ATOM 411 CD1 LEU A 31 1.449 -3.214 -1.932 1.00 0.00 C ATOM 412 CD2 LEU A 31 2.233 -3.802 -4.233 1.00 0.00 C ATOM 0 H LEU A 31 5.194 -4.696 -2.122 1.00 0.00 H new ATOM 0 HA LEU A 31 5.009 -2.835 -4.397 1.00 0.00 H new ATOM 0 HB2 LEU A 31 3.954 -2.418 -1.599 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.424 -1.661 -3.087 1.00 0.00 H new ATOM 0 HG LEU A 31 3.010 -4.585 -2.408 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.658 -3.957 -2.031 1.00 0.00 H new ATOM 0 HD12 LEU A 31 1.751 -3.142 -0.887 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.081 -2.245 -2.271 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.431 -4.537 -4.300 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.885 -2.848 -4.630 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.089 -4.146 -4.814 1.00 0.00 H new ATOM 424 N SER A 32 7.109 -1.679 -3.701 1.00 0.00 N ATOM 425 CA SER A 32 8.224 -0.814 -3.335 1.00 0.00 C ATOM 426 C SER A 32 7.842 0.656 -3.481 1.00 0.00 C ATOM 427 O SER A 32 7.023 1.014 -4.328 1.00 0.00 O ATOM 428 CB SER A 32 9.444 -1.124 -4.206 1.00 0.00 C ATOM 429 OG SER A 32 10.404 -0.085 -4.127 1.00 0.00 O ATOM 0 H SER A 32 7.087 -1.947 -4.685 1.00 0.00 H new ATOM 0 HA SER A 32 8.473 -1.005 -2.291 1.00 0.00 H new ATOM 0 HB2 SER A 32 9.894 -2.064 -3.886 1.00 0.00 H new ATOM 0 HB3 SER A 32 9.131 -1.256 -5.242 1.00 0.00 H new ATOM 0 HG SER A 32 11.174 -0.308 -4.691 1.00 0.00 H new ATOM 435 N CYS A 33 8.442 1.502 -2.651 1.00 0.00 N ATOM 436 CA CYS A 33 8.165 2.933 -2.686 1.00 0.00 C ATOM 437 C CYS A 33 9.319 3.725 -2.081 1.00 0.00 C ATOM 438 O CYS A 33 9.830 3.380 -1.016 1.00 0.00 O ATOM 439 CB CYS A 33 6.869 3.241 -1.933 1.00 0.00 C ATOM 440 SG CYS A 33 6.881 2.724 -0.201 1.00 0.00 S ATOM 0 H CYS A 33 9.123 1.221 -1.946 1.00 0.00 H new ATOM 0 HA CYS A 33 8.051 3.231 -3.728 1.00 0.00 H new ATOM 0 HB2 CYS A 33 6.681 4.314 -1.980 1.00 0.00 H new ATOM 0 HB3 CYS A 33 6.040 2.749 -2.442 1.00 0.00 H new ATOM 0 HG CYS A 33 7.318 1.503 -0.116 1.00 0.00 H new ATOM 446 N GLU A 34 9.726 4.787 -2.769 1.00 0.00 N ATOM 447 CA GLU A 34 10.822 5.627 -2.300 1.00 0.00 C ATOM 448 C GLU A 34 10.329 6.645 -1.276 1.00 0.00 C ATOM 449 O GLU A 34 9.131 6.914 -1.179 1.00 0.00 O ATOM 450 CB GLU A 34 11.481 6.349 -3.477 1.00 0.00 C ATOM 451 CG GLU A 34 12.199 5.417 -4.438 1.00 0.00 C ATOM 452 CD GLU A 34 12.991 6.165 -5.493 1.00 0.00 C ATOM 453 OE1 GLU A 34 14.096 6.651 -5.172 1.00 0.00 O ATOM 454 OE2 GLU A 34 12.507 6.265 -6.640 1.00 0.00 O ATOM 0 H GLU A 34 9.314 5.086 -3.653 1.00 0.00 H new ATOM 0 HA GLU A 34 11.559 4.983 -1.820 1.00 0.00 H new ATOM 0 HB2 GLU A 34 10.719 6.905 -4.024 1.00 0.00 H new ATOM 0 HB3 GLU A 34 12.193 7.079 -3.092 1.00 0.00 H new ATOM 0 HG2 GLU A 34 12.871 4.769 -3.876 1.00 0.00 H new ATOM 0 HG3 GLU A 34 11.469 4.772 -4.927 1.00 0.00 H new ATOM 461 N VAL A 35 11.260 7.207 -0.512 1.00 0.00 N ATOM 462 CA VAL A 35 10.921 8.195 0.505 1.00 0.00 C ATOM 463 C VAL A 35 11.931 9.338 0.518 1.00 0.00 C ATOM 464 O VAL A 35 13.067 9.181 0.072 1.00 0.00 O ATOM 465 CB VAL A 35 10.862 7.561 1.907 1.00 0.00 C ATOM 466 CG1 VAL A 35 9.654 6.644 2.027 1.00 0.00 C ATOM 467 CG2 VAL A 35 12.148 6.804 2.203 1.00 0.00 C ATOM 0 H VAL A 35 12.255 6.995 -0.578 1.00 0.00 H new ATOM 0 HA VAL A 35 9.936 8.586 0.250 1.00 0.00 H new ATOM 0 HB VAL A 35 10.758 8.357 2.644 1.00 0.00 H new ATOM 0 HG11 VAL A 35 9.628 6.205 3.024 1.00 0.00 H new ATOM 0 HG12 VAL A 35 8.743 7.219 1.860 1.00 0.00 H new ATOM 0 HG13 VAL A 35 9.724 5.851 1.283 1.00 0.00 H new ATOM 0 HG21 VAL A 35 12.089 6.362 3.198 1.00 0.00 H new ATOM 0 HG22 VAL A 35 12.284 6.015 1.463 1.00 0.00 H new ATOM 0 HG23 VAL A 35 12.993 7.491 2.161 1.00 0.00 H new ATOM 477 N ALA A 36 11.508 10.487 1.034 1.00 0.00 N ATOM 478 CA ALA A 36 12.376 11.656 1.109 1.00 0.00 C ATOM 479 C ALA A 36 13.360 11.536 2.267 1.00 0.00 C ATOM 480 O ALA A 36 14.411 12.176 2.268 1.00 0.00 O ATOM 481 CB ALA A 36 11.544 12.923 1.249 1.00 0.00 C ATOM 0 H ALA A 36 10.570 10.634 1.406 1.00 0.00 H new ATOM 0 HA ALA A 36 12.950 11.712 0.184 1.00 0.00 H new ATOM 0 HB1 ALA A 36 12.205 13.788 1.304 1.00 0.00 H new ATOM 0 HB2 ALA A 36 10.886 13.023 0.386 1.00 0.00 H new ATOM 0 HB3 ALA A 36 10.945 12.866 2.158 1.00 0.00 H new ATOM 487 N GLN A 37 13.012 10.714 3.251 1.00 0.00 N ATOM 488 CA GLN A 37 13.865 10.512 4.415 1.00 0.00 C ATOM 489 C GLN A 37 13.879 9.045 4.833 1.00 0.00 C ATOM 490 O GLN A 37 12.890 8.332 4.663 1.00 0.00 O ATOM 491 CB GLN A 37 13.389 11.381 5.580 1.00 0.00 C ATOM 492 CG GLN A 37 13.359 12.867 5.258 1.00 0.00 C ATOM 493 CD GLN A 37 12.324 13.619 6.071 1.00 0.00 C ATOM 494 OE1 GLN A 37 11.226 13.119 6.317 1.00 0.00 O ATOM 495 NE2 GLN A 37 12.669 14.830 6.494 1.00 0.00 N ATOM 0 H GLN A 37 12.145 10.177 3.265 1.00 0.00 H new ATOM 0 HA GLN A 37 14.880 10.803 4.144 1.00 0.00 H new ATOM 0 HB2 GLN A 37 12.390 11.062 5.876 1.00 0.00 H new ATOM 0 HB3 GLN A 37 14.043 11.216 6.436 1.00 0.00 H new ATOM 0 HG2 GLN A 37 14.344 13.295 5.445 1.00 0.00 H new ATOM 0 HG3 GLN A 37 13.149 13.001 4.197 1.00 0.00 H new ATOM 0 HE21 GLN A 37 13.590 15.206 6.267 1.00 0.00 H new ATOM 0 HE22 GLN A 37 12.013 15.384 7.045 1.00 0.00 H new ATOM 504 N ALA A 38 15.006 8.601 5.379 1.00 0.00 N ATOM 505 CA ALA A 38 15.148 7.219 5.822 1.00 0.00 C ATOM 506 C ALA A 38 14.591 7.034 7.230 1.00 0.00 C ATOM 507 O ALA A 38 13.632 6.291 7.434 1.00 0.00 O ATOM 508 CB ALA A 38 16.608 6.796 5.771 1.00 0.00 C ATOM 0 H ALA A 38 15.834 9.178 5.525 1.00 0.00 H new ATOM 0 HA ALA A 38 14.574 6.586 5.146 1.00 0.00 H new ATOM 0 HB1 ALA A 38 16.699 5.762 6.104 1.00 0.00 H new ATOM 0 HB2 ALA A 38 16.976 6.881 4.749 1.00 0.00 H new ATOM 0 HB3 ALA A 38 17.197 7.441 6.423 1.00 0.00 H new ATOM 514 N GLN A 39 15.199 7.715 8.196 1.00 0.00 N ATOM 515 CA GLN A 39 14.764 7.623 9.585 1.00 0.00 C ATOM 516 C GLN A 39 13.242 7.613 9.678 1.00 0.00 C ATOM 517 O GLN A 39 12.663 6.886 10.487 1.00 0.00 O ATOM 518 CB GLN A 39 15.329 8.790 10.396 1.00 0.00 C ATOM 519 CG GLN A 39 14.741 10.139 10.012 1.00 0.00 C ATOM 520 CD GLN A 39 15.103 11.234 10.996 1.00 0.00 C ATOM 521 OE1 GLN A 39 16.248 11.336 11.436 1.00 0.00 O ATOM 522 NE2 GLN A 39 14.125 12.062 11.346 1.00 0.00 N ATOM 0 H GLN A 39 15.994 8.336 8.043 1.00 0.00 H new ATOM 0 HA GLN A 39 15.141 6.687 9.997 1.00 0.00 H new ATOM 0 HB2 GLN A 39 15.143 8.610 11.455 1.00 0.00 H new ATOM 0 HB3 GLN A 39 16.410 8.823 10.264 1.00 0.00 H new ATOM 0 HG2 GLN A 39 15.095 10.416 9.019 1.00 0.00 H new ATOM 0 HG3 GLN A 39 13.656 10.054 9.951 1.00 0.00 H new ATOM 0 HE21 GLN A 39 13.190 11.941 10.957 1.00 0.00 H new ATOM 0 HE22 GLN A 39 14.309 12.819 12.004 1.00 0.00 H new ATOM 531 N THR A 40 12.597 8.424 8.845 1.00 0.00 N ATOM 532 CA THR A 40 11.142 8.509 8.835 1.00 0.00 C ATOM 533 C THR A 40 10.510 7.122 8.785 1.00 0.00 C ATOM 534 O THR A 40 10.899 6.282 7.975 1.00 0.00 O ATOM 535 CB THR A 40 10.636 9.334 7.637 1.00 0.00 C ATOM 536 OG1 THR A 40 11.068 10.694 7.762 1.00 0.00 O ATOM 537 CG2 THR A 40 9.118 9.285 7.548 1.00 0.00 C ATOM 0 H THR A 40 13.060 9.031 8.169 1.00 0.00 H new ATOM 0 HA THR A 40 10.848 9.006 9.760 1.00 0.00 H new ATOM 0 HB THR A 40 11.051 8.903 6.726 1.00 0.00 H new ATOM 0 HG1 THR A 40 10.756 11.209 6.989 1.00 0.00 H new ATOM 0 HG21 THR A 40 8.784 9.875 6.694 1.00 0.00 H new ATOM 0 HG22 THR A 40 8.794 8.252 7.424 1.00 0.00 H new ATOM 0 HG23 THR A 40 8.687 9.693 8.462 1.00 0.00 H new ATOM 545 N GLU A 41 9.533 6.890 9.657 1.00 0.00 N ATOM 546 CA GLU A 41 8.848 5.604 9.711 1.00 0.00 C ATOM 547 C GLU A 41 7.538 5.653 8.930 1.00 0.00 C ATOM 548 O GLU A 41 6.855 6.676 8.905 1.00 0.00 O ATOM 549 CB GLU A 41 8.575 5.208 11.163 1.00 0.00 C ATOM 550 CG GLU A 41 9.767 4.567 11.854 1.00 0.00 C ATOM 551 CD GLU A 41 9.422 4.022 13.226 1.00 0.00 C ATOM 552 OE1 GLU A 41 8.921 4.801 14.065 1.00 0.00 O ATOM 553 OE2 GLU A 41 9.653 2.818 13.462 1.00 0.00 O ATOM 0 H GLU A 41 9.199 7.575 10.335 1.00 0.00 H new ATOM 0 HA GLU A 41 9.496 4.856 9.254 1.00 0.00 H new ATOM 0 HB2 GLU A 41 8.275 6.094 11.722 1.00 0.00 H new ATOM 0 HB3 GLU A 41 7.734 4.515 11.190 1.00 0.00 H new ATOM 0 HG2 GLU A 41 10.151 3.758 11.232 1.00 0.00 H new ATOM 0 HG3 GLU A 41 10.566 5.303 11.950 1.00 0.00 H new ATOM 560 N VAL A 42 7.194 4.538 8.293 1.00 0.00 N ATOM 561 CA VAL A 42 5.966 4.451 7.512 1.00 0.00 C ATOM 562 C VAL A 42 5.023 3.400 8.085 1.00 0.00 C ATOM 563 O VAL A 42 5.387 2.649 8.991 1.00 0.00 O ATOM 564 CB VAL A 42 6.262 4.111 6.039 1.00 0.00 C ATOM 565 CG1 VAL A 42 7.495 4.859 5.554 1.00 0.00 C ATOM 566 CG2 VAL A 42 6.435 2.610 5.863 1.00 0.00 C ATOM 0 H VAL A 42 7.749 3.682 8.303 1.00 0.00 H new ATOM 0 HA VAL A 42 5.488 5.429 7.563 1.00 0.00 H new ATOM 0 HB VAL A 42 5.413 4.429 5.434 1.00 0.00 H new ATOM 0 HG11 VAL A 42 7.688 4.606 4.512 1.00 0.00 H new ATOM 0 HG12 VAL A 42 7.327 5.932 5.641 1.00 0.00 H new ATOM 0 HG13 VAL A 42 8.355 4.576 6.161 1.00 0.00 H new ATOM 0 HG21 VAL A 42 6.643 2.388 4.816 1.00 0.00 H new ATOM 0 HG22 VAL A 42 7.265 2.265 6.479 1.00 0.00 H new ATOM 0 HG23 VAL A 42 5.521 2.100 6.167 1.00 0.00 H new ATOM 576 N THR A 43 3.806 3.351 7.551 1.00 0.00 N ATOM 577 CA THR A 43 2.809 2.392 8.010 1.00 0.00 C ATOM 578 C THR A 43 1.781 2.104 6.921 1.00 0.00 C ATOM 579 O THR A 43 0.975 2.966 6.572 1.00 0.00 O ATOM 580 CB THR A 43 2.078 2.900 9.268 1.00 0.00 C ATOM 581 OG1 THR A 43 3.029 3.239 10.283 1.00 0.00 O ATOM 582 CG2 THR A 43 1.117 1.846 9.798 1.00 0.00 C ATOM 0 H THR A 43 3.488 3.964 6.801 1.00 0.00 H new ATOM 0 HA THR A 43 3.343 1.474 8.255 1.00 0.00 H new ATOM 0 HB THR A 43 1.506 3.787 8.996 1.00 0.00 H new ATOM 0 HG1 THR A 43 2.557 3.562 11.079 1.00 0.00 H new ATOM 0 HG21 THR A 43 0.613 2.227 10.686 1.00 0.00 H new ATOM 0 HG22 THR A 43 0.377 1.611 9.033 1.00 0.00 H new ATOM 0 HG23 THR A 43 1.672 0.944 10.055 1.00 0.00 H new ATOM 590 N TRP A 44 1.816 0.888 6.389 1.00 0.00 N ATOM 591 CA TRP A 44 0.886 0.487 5.339 1.00 0.00 C ATOM 592 C TRP A 44 -0.537 0.397 5.878 1.00 0.00 C ATOM 593 O TRP A 44 -0.749 0.076 7.048 1.00 0.00 O ATOM 594 CB TRP A 44 1.306 -0.859 4.745 1.00 0.00 C ATOM 595 CG TRP A 44 2.659 -0.828 4.101 1.00 0.00 C ATOM 596 CD1 TRP A 44 3.867 -0.966 4.723 1.00 0.00 C ATOM 597 CD2 TRP A 44 2.941 -0.644 2.709 1.00 0.00 C ATOM 598 NE1 TRP A 44 4.883 -0.880 3.802 1.00 0.00 N ATOM 599 CE2 TRP A 44 4.341 -0.684 2.559 1.00 0.00 C ATOM 600 CE3 TRP A 44 2.148 -0.453 1.575 1.00 0.00 C ATOM 601 CZ2 TRP A 44 4.962 -0.537 1.321 1.00 0.00 C ATOM 602 CZ3 TRP A 44 2.765 -0.307 0.347 1.00 0.00 C ATOM 603 CH2 TRP A 44 4.160 -0.351 0.228 1.00 0.00 C ATOM 0 H TRP A 44 2.477 0.163 6.667 1.00 0.00 H new ATOM 0 HA TRP A 44 0.911 1.245 4.556 1.00 0.00 H new ATOM 0 HB2 TRP A 44 1.304 -1.612 5.533 1.00 0.00 H new ATOM 0 HB3 TRP A 44 0.567 -1.168 4.006 1.00 0.00 H new ATOM 0 HD1 TRP A 44 4.004 -1.120 5.783 1.00 0.00 H new ATOM 0 HE1 TRP A 44 5.879 -0.951 4.010 1.00 0.00 H new ATOM 0 HE3 TRP A 44 1.072 -0.420 1.656 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 6.037 -0.569 1.227 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 2.161 -0.156 -0.536 1.00 0.00 H new ATOM 0 HH2 TRP A 44 4.612 -0.236 -0.746 1.00 0.00 H new ATOM 614 N TYR A 45 -1.509 0.682 5.019 1.00 0.00 N ATOM 615 CA TYR A 45 -2.913 0.635 5.410 1.00 0.00 C ATOM 616 C TYR A 45 -3.765 0.012 4.308 1.00 0.00 C ATOM 617 O TYR A 45 -3.841 0.533 3.195 1.00 0.00 O ATOM 618 CB TYR A 45 -3.422 2.041 5.730 1.00 0.00 C ATOM 619 CG TYR A 45 -2.904 2.589 7.040 1.00 0.00 C ATOM 620 CD1 TYR A 45 -3.401 2.130 8.253 1.00 0.00 C ATOM 621 CD2 TYR A 45 -1.917 3.567 7.065 1.00 0.00 C ATOM 622 CE1 TYR A 45 -2.931 2.628 9.453 1.00 0.00 C ATOM 623 CE2 TYR A 45 -1.440 4.070 8.260 1.00 0.00 C ATOM 624 CZ TYR A 45 -1.950 3.597 9.451 1.00 0.00 C ATOM 625 OH TYR A 45 -1.479 4.097 10.644 1.00 0.00 O ATOM 0 H TYR A 45 -1.351 0.948 4.047 1.00 0.00 H new ATOM 0 HA TYR A 45 -2.995 0.014 6.302 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -3.132 2.715 4.924 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -4.512 2.026 5.757 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -4.169 1.370 8.258 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -1.516 3.940 6.134 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -3.330 2.260 10.387 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -0.672 4.829 8.262 1.00 0.00 H new ATOM 0 HH TYR A 45 -0.790 4.771 10.467 1.00 0.00 H new ATOM 635 N LYS A 46 -4.406 -1.108 4.627 1.00 0.00 N ATOM 636 CA LYS A 46 -5.255 -1.804 3.667 1.00 0.00 C ATOM 637 C LYS A 46 -6.726 -1.484 3.911 1.00 0.00 C ATOM 638 O LYS A 46 -7.192 -1.491 5.050 1.00 0.00 O ATOM 639 CB LYS A 46 -5.029 -3.315 3.756 1.00 0.00 C ATOM 640 CG LYS A 46 -5.311 -4.049 2.457 1.00 0.00 C ATOM 641 CD LYS A 46 -5.071 -5.543 2.598 1.00 0.00 C ATOM 642 CE LYS A 46 -5.606 -6.309 1.398 1.00 0.00 C ATOM 643 NZ LYS A 46 -5.840 -7.745 1.716 1.00 0.00 N ATOM 0 H LYS A 46 -4.353 -1.553 5.543 1.00 0.00 H new ATOM 0 HA LYS A 46 -4.987 -1.462 2.667 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -3.997 -3.503 4.053 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -5.666 -3.724 4.540 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -6.343 -3.872 2.155 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -4.675 -3.650 1.667 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -4.003 -5.732 2.705 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -5.552 -5.906 3.506 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -6.539 -5.855 1.063 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -4.899 -6.230 0.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -6.299 -8.210 0.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -4.931 -8.210 1.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -6.455 -7.820 2.552 1.00 0.00 H new ATOM 657 N ASP A 47 -7.453 -1.206 2.834 1.00 0.00 N ATOM 658 CA ASP A 47 -8.872 -0.887 2.931 1.00 0.00 C ATOM 659 C ASP A 47 -9.150 -0.010 4.148 1.00 0.00 C ATOM 660 O ASP A 47 -10.217 -0.093 4.754 1.00 0.00 O ATOM 661 CB ASP A 47 -9.701 -2.169 3.011 1.00 0.00 C ATOM 662 CG ASP A 47 -9.888 -2.824 1.656 1.00 0.00 C ATOM 663 OD1 ASP A 47 -10.437 -2.164 0.749 1.00 0.00 O ATOM 664 OD2 ASP A 47 -9.483 -3.995 1.502 1.00 0.00 O ATOM 0 H ASP A 47 -7.082 -1.195 1.884 1.00 0.00 H new ATOM 0 HA ASP A 47 -9.157 -0.335 2.035 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -9.213 -2.872 3.687 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -10.677 -1.941 3.439 1.00 0.00 H new ATOM 669 N GLY A 48 -8.181 0.829 4.500 1.00 0.00 N ATOM 670 CA GLY A 48 -8.340 1.708 5.644 1.00 0.00 C ATOM 671 C GLY A 48 -8.120 0.991 6.961 1.00 0.00 C ATOM 672 O GLY A 48 -8.779 1.290 7.958 1.00 0.00 O ATOM 0 H GLY A 48 -7.289 0.916 4.014 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -7.636 2.536 5.563 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -9.341 2.139 5.631 1.00 0.00 H new ATOM 676 N LYS A 49 -7.192 0.040 6.967 1.00 0.00 N ATOM 677 CA LYS A 49 -6.887 -0.724 8.172 1.00 0.00 C ATOM 678 C LYS A 49 -5.383 -0.761 8.425 1.00 0.00 C ATOM 679 O LYS A 49 -4.589 -0.894 7.493 1.00 0.00 O ATOM 680 CB LYS A 49 -7.429 -2.149 8.048 1.00 0.00 C ATOM 681 CG LYS A 49 -6.425 -3.135 7.476 1.00 0.00 C ATOM 682 CD LYS A 49 -6.954 -4.559 7.519 1.00 0.00 C ATOM 683 CE LYS A 49 -5.952 -5.544 6.938 1.00 0.00 C ATOM 684 NZ LYS A 49 -6.401 -6.954 7.101 1.00 0.00 N ATOM 0 H LYS A 49 -6.638 -0.220 6.151 1.00 0.00 H new ATOM 0 HA LYS A 49 -7.369 -0.231 9.017 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -7.745 -2.495 9.032 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -8.316 -2.137 7.414 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -6.193 -2.863 6.446 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -5.494 -3.075 8.039 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -7.180 -4.833 8.549 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -7.889 -4.618 6.961 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -5.805 -5.330 5.879 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -4.987 -5.411 7.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -5.691 -7.594 6.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -6.517 -7.167 8.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -7.309 -7.088 6.613 1.00 0.00 H new ATOM 698 N LYS A 50 -4.998 -0.644 9.691 1.00 0.00 N ATOM 699 CA LYS A 50 -3.590 -0.667 10.068 1.00 0.00 C ATOM 700 C LYS A 50 -2.985 -2.047 9.829 1.00 0.00 C ATOM 701 O LYS A 50 -3.290 -3.002 10.544 1.00 0.00 O ATOM 702 CB LYS A 50 -3.428 -0.276 11.539 1.00 0.00 C ATOM 703 CG LYS A 50 -1.998 0.064 11.924 1.00 0.00 C ATOM 704 CD LYS A 50 -1.906 0.535 13.366 1.00 0.00 C ATOM 705 CE LYS A 50 -0.512 1.045 13.698 1.00 0.00 C ATOM 706 NZ LYS A 50 -0.361 2.492 13.382 1.00 0.00 N ATOM 0 H LYS A 50 -5.642 -0.532 10.474 1.00 0.00 H new ATOM 0 HA LYS A 50 -3.062 0.055 9.446 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -4.066 0.582 11.751 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -3.779 -1.096 12.165 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -1.365 -0.812 11.785 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -1.617 0.841 11.261 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -2.635 1.327 13.538 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -2.163 -0.286 14.035 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -0.308 0.881 14.756 1.00 0.00 H new ATOM 0 HE3 LYS A 50 0.227 0.472 13.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 0.632 2.773 13.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -0.646 2.664 12.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -0.964 3.051 14.019 1.00 0.00 H new ATOM 720 N LEU A 51 -2.125 -2.144 8.821 1.00 0.00 N ATOM 721 CA LEU A 51 -1.475 -3.407 8.488 1.00 0.00 C ATOM 722 C LEU A 51 -0.337 -3.706 9.459 1.00 0.00 C ATOM 723 O LEU A 51 0.067 -2.846 10.241 1.00 0.00 O ATOM 724 CB LEU A 51 -0.941 -3.366 7.056 1.00 0.00 C ATOM 725 CG LEU A 51 -1.993 -3.386 5.946 1.00 0.00 C ATOM 726 CD1 LEU A 51 -1.451 -2.732 4.685 1.00 0.00 C ATOM 727 CD2 LEU A 51 -2.441 -4.812 5.661 1.00 0.00 C ATOM 0 H LEU A 51 -1.862 -1.363 8.220 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.216 -4.202 8.570 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.337 -2.466 6.940 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.275 -4.217 6.913 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.859 -2.816 6.282 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.213 -2.756 3.906 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.182 -1.697 4.898 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.568 -3.273 4.345 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.190 -4.807 4.869 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.584 -5.407 5.346 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.871 -5.245 6.564 1.00 0.00 H new ATOM 739 N SER A 52 0.175 -4.931 9.402 1.00 0.00 N ATOM 740 CA SER A 52 1.266 -5.345 10.277 1.00 0.00 C ATOM 741 C SER A 52 2.019 -6.531 9.683 1.00 0.00 C ATOM 742 O SER A 52 1.413 -7.514 9.256 1.00 0.00 O ATOM 743 CB SER A 52 0.727 -5.710 11.662 1.00 0.00 C ATOM 744 OG SER A 52 1.764 -5.717 12.627 1.00 0.00 O ATOM 0 H SER A 52 -0.148 -5.654 8.759 1.00 0.00 H new ATOM 0 HA SER A 52 1.959 -4.509 10.373 1.00 0.00 H new ATOM 0 HB2 SER A 52 -0.043 -4.996 11.956 1.00 0.00 H new ATOM 0 HB3 SER A 52 0.254 -6.691 11.625 1.00 0.00 H new ATOM 0 HG SER A 52 1.394 -5.951 13.504 1.00 0.00 H new ATOM 750 N SER A 53 3.344 -6.431 9.660 1.00 0.00 N ATOM 751 CA SER A 53 4.181 -7.493 9.115 1.00 0.00 C ATOM 752 C SER A 53 3.894 -8.822 9.808 1.00 0.00 C ATOM 753 O SER A 53 4.513 -9.154 10.819 1.00 0.00 O ATOM 754 CB SER A 53 5.661 -7.135 9.268 1.00 0.00 C ATOM 755 OG SER A 53 6.490 -8.149 8.727 1.00 0.00 O ATOM 0 H SER A 53 3.861 -5.625 10.012 1.00 0.00 H new ATOM 0 HA SER A 53 3.947 -7.597 8.056 1.00 0.00 H new ATOM 0 HB2 SER A 53 5.863 -6.189 8.766 1.00 0.00 H new ATOM 0 HB3 SER A 53 5.897 -6.993 10.323 1.00 0.00 H new ATOM 0 HG SER A 53 7.430 -7.895 8.836 1.00 0.00 H new ATOM 761 N SER A 54 2.949 -9.577 9.257 1.00 0.00 N ATOM 762 CA SER A 54 2.575 -10.868 9.824 1.00 0.00 C ATOM 763 C SER A 54 3.257 -12.008 9.074 1.00 0.00 C ATOM 764 O SER A 54 3.969 -11.784 8.096 1.00 0.00 O ATOM 765 CB SER A 54 1.057 -11.048 9.779 1.00 0.00 C ATOM 766 OG SER A 54 0.613 -11.304 8.458 1.00 0.00 O ATOM 0 H SER A 54 2.428 -9.317 8.419 1.00 0.00 H new ATOM 0 HA SER A 54 2.905 -10.891 10.863 1.00 0.00 H new ATOM 0 HB2 SER A 54 0.766 -11.872 10.430 1.00 0.00 H new ATOM 0 HB3 SER A 54 0.570 -10.152 10.163 1.00 0.00 H new ATOM 0 HG SER A 54 -0.360 -11.417 8.456 1.00 0.00 H new ATOM 772 N SER A 55 3.032 -13.233 9.541 1.00 0.00 N ATOM 773 CA SER A 55 3.627 -14.409 8.917 1.00 0.00 C ATOM 774 C SER A 55 3.455 -14.367 7.402 1.00 0.00 C ATOM 775 O SER A 55 4.205 -15.004 6.662 1.00 0.00 O ATOM 776 CB SER A 55 2.994 -15.684 9.478 1.00 0.00 C ATOM 777 OG SER A 55 3.574 -16.839 8.897 1.00 0.00 O ATOM 0 H SER A 55 2.443 -13.436 10.348 1.00 0.00 H new ATOM 0 HA SER A 55 4.693 -14.410 9.144 1.00 0.00 H new ATOM 0 HB2 SER A 55 3.124 -15.713 10.560 1.00 0.00 H new ATOM 0 HB3 SER A 55 1.921 -15.676 9.286 1.00 0.00 H new ATOM 0 HG SER A 55 3.154 -17.641 9.273 1.00 0.00 H new ATOM 783 N LYS A 56 2.462 -13.610 6.947 1.00 0.00 N ATOM 784 CA LYS A 56 2.190 -13.481 5.520 1.00 0.00 C ATOM 785 C LYS A 56 2.828 -12.215 4.957 1.00 0.00 C ATOM 786 O LYS A 56 3.706 -12.280 4.096 1.00 0.00 O ATOM 787 CB LYS A 56 0.681 -13.461 5.267 1.00 0.00 C ATOM 788 CG LYS A 56 0.080 -14.841 5.063 1.00 0.00 C ATOM 789 CD LYS A 56 0.093 -15.243 3.597 1.00 0.00 C ATOM 790 CE LYS A 56 -1.179 -14.803 2.887 1.00 0.00 C ATOM 791 NZ LYS A 56 -2.345 -15.649 3.264 1.00 0.00 N ATOM 0 H LYS A 56 1.832 -13.076 7.546 1.00 0.00 H new ATOM 0 HA LYS A 56 2.625 -14.342 5.013 1.00 0.00 H new ATOM 0 HB2 LYS A 56 0.186 -12.979 6.110 1.00 0.00 H new ATOM 0 HB3 LYS A 56 0.477 -12.851 4.387 1.00 0.00 H new ATOM 0 HG2 LYS A 56 0.639 -15.572 5.647 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -0.944 -14.852 5.435 1.00 0.00 H new ATOM 0 HD2 LYS A 56 0.958 -14.799 3.105 1.00 0.00 H new ATOM 0 HD3 LYS A 56 0.201 -16.325 3.516 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -1.391 -13.762 3.133 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -1.028 -14.852 1.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -3.120 -15.493 2.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -2.067 -16.651 3.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -2.664 -15.394 4.221 1.00 0.00 H new ATOM 805 N VAL A 57 2.381 -11.064 5.448 1.00 0.00 N ATOM 806 CA VAL A 57 2.910 -9.783 4.996 1.00 0.00 C ATOM 807 C VAL A 57 4.231 -9.460 5.684 1.00 0.00 C ATOM 808 O VAL A 57 4.383 -9.670 6.888 1.00 0.00 O ATOM 809 CB VAL A 57 1.913 -8.639 5.260 1.00 0.00 C ATOM 810 CG1 VAL A 57 2.426 -7.335 4.667 1.00 0.00 C ATOM 811 CG2 VAL A 57 0.543 -8.987 4.698 1.00 0.00 C ATOM 0 H VAL A 57 1.653 -10.992 6.159 1.00 0.00 H new ATOM 0 HA VAL A 57 3.075 -9.870 3.922 1.00 0.00 H new ATOM 0 HB VAL A 57 1.816 -8.506 6.338 1.00 0.00 H new ATOM 0 HG11 VAL A 57 1.708 -6.539 4.864 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.384 -7.081 5.121 1.00 0.00 H new ATOM 0 HG13 VAL A 57 2.554 -7.450 3.591 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -0.149 -8.168 4.893 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.621 -9.148 3.623 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.174 -9.895 5.175 1.00 0.00 H new ATOM 821 N ARG A 58 5.184 -8.947 4.913 1.00 0.00 N ATOM 822 CA ARG A 58 6.494 -8.595 5.449 1.00 0.00 C ATOM 823 C ARG A 58 6.849 -7.150 5.109 1.00 0.00 C ATOM 824 O ARG A 58 7.043 -6.805 3.944 1.00 0.00 O ATOM 825 CB ARG A 58 7.564 -9.538 4.897 1.00 0.00 C ATOM 826 CG ARG A 58 8.983 -9.125 5.255 1.00 0.00 C ATOM 827 CD ARG A 58 10.002 -9.777 4.333 1.00 0.00 C ATOM 828 NE ARG A 58 10.416 -11.091 4.818 1.00 0.00 N ATOM 829 CZ ARG A 58 11.321 -11.270 5.773 1.00 0.00 C ATOM 830 NH1 ARG A 58 11.903 -10.224 6.345 1.00 0.00 N ATOM 831 NH2 ARG A 58 11.645 -12.497 6.160 1.00 0.00 N ATOM 0 H ARG A 58 5.074 -8.766 3.915 1.00 0.00 H new ATOM 0 HA ARG A 58 6.455 -8.696 6.534 1.00 0.00 H new ATOM 0 HB2 ARG A 58 7.381 -10.543 5.276 1.00 0.00 H new ATOM 0 HB3 ARG A 58 7.471 -9.584 3.812 1.00 0.00 H new ATOM 0 HG2 ARG A 58 9.075 -8.041 5.192 1.00 0.00 H new ATOM 0 HG3 ARG A 58 9.195 -9.403 6.288 1.00 0.00 H new ATOM 0 HD2 ARG A 58 9.576 -9.877 3.335 1.00 0.00 H new ATOM 0 HD3 ARG A 58 10.876 -9.131 4.244 1.00 0.00 H new ATOM 0 HE ARG A 58 9.986 -11.916 4.400 1.00 0.00 H new ATOM 0 HH11 ARG A 58 11.656 -9.279 6.051 1.00 0.00 H new ATOM 0 HH12 ARG A 58 12.598 -10.365 7.078 1.00 0.00 H new ATOM 0 HH21 ARG A 58 11.199 -13.304 5.724 1.00 0.00 H new ATOM 0 HH22 ARG A 58 12.340 -12.633 6.894 1.00 0.00 H new ATOM 845 N VAL A 59 6.933 -6.310 6.136 1.00 0.00 N ATOM 846 CA VAL A 59 7.266 -4.903 5.947 1.00 0.00 C ATOM 847 C VAL A 59 8.775 -4.685 5.985 1.00 0.00 C ATOM 848 O VAL A 59 9.377 -4.634 7.056 1.00 0.00 O ATOM 849 CB VAL A 59 6.604 -4.020 7.022 1.00 0.00 C ATOM 850 CG1 VAL A 59 7.006 -2.565 6.840 1.00 0.00 C ATOM 851 CG2 VAL A 59 5.092 -4.174 6.979 1.00 0.00 C ATOM 0 H VAL A 59 6.775 -6.579 7.107 1.00 0.00 H new ATOM 0 HA VAL A 59 6.885 -4.617 4.967 1.00 0.00 H new ATOM 0 HB VAL A 59 6.952 -4.347 8.002 1.00 0.00 H new ATOM 0 HG11 VAL A 59 6.529 -1.957 7.608 1.00 0.00 H new ATOM 0 HG12 VAL A 59 8.089 -2.473 6.925 1.00 0.00 H new ATOM 0 HG13 VAL A 59 6.689 -2.220 5.856 1.00 0.00 H new ATOM 0 HG21 VAL A 59 4.640 -3.544 7.745 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.723 -3.874 5.998 1.00 0.00 H new ATOM 0 HG23 VAL A 59 4.827 -5.215 7.163 1.00 0.00 H new ATOM 861 N GLU A 60 9.378 -4.558 4.807 1.00 0.00 N ATOM 862 CA GLU A 60 10.818 -4.346 4.706 1.00 0.00 C ATOM 863 C GLU A 60 11.147 -2.856 4.665 1.00 0.00 C ATOM 864 O GLU A 60 10.480 -2.081 3.980 1.00 0.00 O ATOM 865 CB GLU A 60 11.371 -5.036 3.458 1.00 0.00 C ATOM 866 CG GLU A 60 11.867 -6.449 3.713 1.00 0.00 C ATOM 867 CD GLU A 60 13.117 -6.482 4.571 1.00 0.00 C ATOM 868 OE1 GLU A 60 14.118 -5.842 4.187 1.00 0.00 O ATOM 869 OE2 GLU A 60 13.093 -7.149 5.627 1.00 0.00 O ATOM 0 H GLU A 60 8.893 -4.598 3.911 1.00 0.00 H new ATOM 0 HA GLU A 60 11.286 -4.780 5.590 1.00 0.00 H new ATOM 0 HB2 GLU A 60 10.593 -5.065 2.695 1.00 0.00 H new ATOM 0 HB3 GLU A 60 12.190 -4.439 3.056 1.00 0.00 H new ATOM 0 HG2 GLU A 60 11.080 -7.024 4.201 1.00 0.00 H new ATOM 0 HG3 GLU A 60 12.072 -6.936 2.760 1.00 0.00 H new ATOM 876 N ALA A 61 12.179 -2.464 5.404 1.00 0.00 N ATOM 877 CA ALA A 61 12.598 -1.069 5.451 1.00 0.00 C ATOM 878 C ALA A 61 14.107 -0.942 5.272 1.00 0.00 C ATOM 879 O ALA A 61 14.872 -1.118 6.220 1.00 0.00 O ATOM 880 CB ALA A 61 12.165 -0.432 6.764 1.00 0.00 C ATOM 0 H ALA A 61 12.740 -3.093 5.978 1.00 0.00 H new ATOM 0 HA ALA A 61 12.116 -0.543 4.627 1.00 0.00 H new ATOM 0 HB1 ALA A 61 12.484 0.610 6.786 1.00 0.00 H new ATOM 0 HB2 ALA A 61 11.080 -0.481 6.851 1.00 0.00 H new ATOM 0 HB3 ALA A 61 12.620 -0.969 7.596 1.00 0.00 H new ATOM 886 N VAL A 62 14.529 -0.637 4.049 1.00 0.00 N ATOM 887 CA VAL A 62 15.947 -0.487 3.745 1.00 0.00 C ATOM 888 C VAL A 62 16.269 0.940 3.316 1.00 0.00 C ATOM 889 O VAL A 62 15.848 1.389 2.251 1.00 0.00 O ATOM 890 CB VAL A 62 16.389 -1.457 2.634 1.00 0.00 C ATOM 891 CG1 VAL A 62 16.617 -2.850 3.200 1.00 0.00 C ATOM 892 CG2 VAL A 62 15.359 -1.490 1.515 1.00 0.00 C ATOM 0 H VAL A 62 13.909 -0.489 3.253 1.00 0.00 H new ATOM 0 HA VAL A 62 16.493 -0.721 4.659 1.00 0.00 H new ATOM 0 HB VAL A 62 17.332 -1.101 2.219 1.00 0.00 H new ATOM 0 HG11 VAL A 62 16.929 -3.521 2.400 1.00 0.00 H new ATOM 0 HG12 VAL A 62 17.394 -2.810 3.963 1.00 0.00 H new ATOM 0 HG13 VAL A 62 15.692 -3.219 3.643 1.00 0.00 H new ATOM 0 HG21 VAL A 62 15.688 -2.181 0.738 1.00 0.00 H new ATOM 0 HG22 VAL A 62 14.400 -1.821 1.913 1.00 0.00 H new ATOM 0 HG23 VAL A 62 15.251 -0.492 1.091 1.00 0.00 H new ATOM 902 N GLY A 63 17.020 1.649 4.154 1.00 0.00 N ATOM 903 CA GLY A 63 17.386 3.019 3.843 1.00 0.00 C ATOM 904 C GLY A 63 16.188 3.871 3.477 1.00 0.00 C ATOM 905 O GLY A 63 15.303 4.099 4.304 1.00 0.00 O ATOM 0 H GLY A 63 17.381 1.300 5.042 1.00 0.00 H new ATOM 0 HA2 GLY A 63 17.893 3.460 4.701 1.00 0.00 H new ATOM 0 HA3 GLY A 63 18.097 3.023 3.017 1.00 0.00 H new ATOM 909 N CYS A 64 16.157 4.344 2.236 1.00 0.00 N ATOM 910 CA CYS A 64 15.059 5.179 1.763 1.00 0.00 C ATOM 911 C CYS A 64 14.137 4.391 0.838 1.00 0.00 C ATOM 912 O CYS A 64 13.707 4.891 -0.202 1.00 0.00 O ATOM 913 CB CYS A 64 15.602 6.409 1.034 1.00 0.00 C ATOM 914 SG CYS A 64 16.577 7.516 2.080 1.00 0.00 S ATOM 0 H CYS A 64 16.880 4.163 1.539 1.00 0.00 H new ATOM 0 HA CYS A 64 14.484 5.505 2.630 1.00 0.00 H new ATOM 0 HB2 CYS A 64 16.219 6.080 0.198 1.00 0.00 H new ATOM 0 HB3 CYS A 64 14.766 6.967 0.613 1.00 0.00 H new ATOM 0 HG CYS A 64 16.994 8.525 1.374 1.00 0.00 H new ATOM 920 N THR A 65 13.838 3.154 1.222 1.00 0.00 N ATOM 921 CA THR A 65 12.970 2.295 0.427 1.00 0.00 C ATOM 922 C THR A 65 12.105 1.411 1.318 1.00 0.00 C ATOM 923 O THR A 65 12.602 0.773 2.246 1.00 0.00 O ATOM 924 CB THR A 65 13.785 1.402 -0.527 1.00 0.00 C ATOM 925 OG1 THR A 65 14.236 2.168 -1.650 1.00 0.00 O ATOM 926 CG2 THR A 65 12.951 0.225 -1.012 1.00 0.00 C ATOM 0 H THR A 65 14.185 2.725 2.080 1.00 0.00 H new ATOM 0 HA THR A 65 12.328 2.951 -0.161 1.00 0.00 H new ATOM 0 HB THR A 65 14.646 1.016 0.019 1.00 0.00 H new ATOM 0 HG1 THR A 65 14.063 3.119 -1.488 1.00 0.00 H new ATOM 0 HG21 THR A 65 13.548 -0.391 -1.684 1.00 0.00 H new ATOM 0 HG22 THR A 65 12.634 -0.373 -0.158 1.00 0.00 H new ATOM 0 HG23 THR A 65 12.073 0.595 -1.542 1.00 0.00 H new ATOM 934 N ARG A 66 10.808 1.377 1.029 1.00 0.00 N ATOM 935 CA ARG A 66 9.873 0.571 1.805 1.00 0.00 C ATOM 936 C ARG A 66 9.090 -0.376 0.900 1.00 0.00 C ATOM 937 O ARG A 66 8.187 0.046 0.178 1.00 0.00 O ATOM 938 CB ARG A 66 8.908 1.472 2.577 1.00 0.00 C ATOM 939 CG ARG A 66 9.593 2.613 3.310 1.00 0.00 C ATOM 940 CD ARG A 66 10.247 2.135 4.598 1.00 0.00 C ATOM 941 NE ARG A 66 10.974 3.206 5.273 1.00 0.00 N ATOM 942 CZ ARG A 66 12.226 3.541 4.982 1.00 0.00 C ATOM 943 NH1 ARG A 66 12.886 2.892 4.032 1.00 0.00 N ATOM 944 NH2 ARG A 66 12.821 4.528 5.640 1.00 0.00 N ATOM 0 H ARG A 66 10.381 1.898 0.263 1.00 0.00 H new ATOM 0 HA ARG A 66 10.448 -0.025 2.514 1.00 0.00 H new ATOM 0 HB2 ARG A 66 8.176 1.885 1.883 1.00 0.00 H new ATOM 0 HB3 ARG A 66 8.358 0.867 3.298 1.00 0.00 H new ATOM 0 HG2 ARG A 66 10.346 3.062 2.663 1.00 0.00 H new ATOM 0 HG3 ARG A 66 8.864 3.391 3.538 1.00 0.00 H new ATOM 0 HD2 ARG A 66 9.483 1.738 5.267 1.00 0.00 H new ATOM 0 HD3 ARG A 66 10.932 1.317 4.375 1.00 0.00 H new ATOM 0 HE ARG A 66 10.494 3.725 6.008 1.00 0.00 H new ATOM 0 HH11 ARG A 66 12.432 2.134 3.523 1.00 0.00 H new ATOM 0 HH12 ARG A 66 13.847 3.151 3.811 1.00 0.00 H new ATOM 0 HH21 ARG A 66 12.317 5.031 6.370 1.00 0.00 H new ATOM 0 HH22 ARG A 66 13.782 4.784 5.415 1.00 0.00 H new ATOM 958 N ARG A 67 9.443 -1.656 0.945 1.00 0.00 N ATOM 959 CA ARG A 67 8.775 -2.662 0.128 1.00 0.00 C ATOM 960 C ARG A 67 7.912 -3.577 0.991 1.00 0.00 C ATOM 961 O ARG A 67 8.286 -3.926 2.112 1.00 0.00 O ATOM 962 CB ARG A 67 9.804 -3.490 -0.642 1.00 0.00 C ATOM 963 CG ARG A 67 10.632 -4.408 0.242 1.00 0.00 C ATOM 964 CD ARG A 67 11.901 -4.864 -0.461 1.00 0.00 C ATOM 965 NE ARG A 67 12.865 -5.444 0.470 1.00 0.00 N ATOM 966 CZ ARG A 67 13.959 -6.092 0.087 1.00 0.00 C ATOM 967 NH1 ARG A 67 14.227 -6.242 -1.203 1.00 0.00 N ATOM 968 NH2 ARG A 67 14.788 -6.592 0.994 1.00 0.00 N ATOM 0 H ARG A 67 10.188 -2.021 1.539 1.00 0.00 H new ATOM 0 HA ARG A 67 8.129 -2.146 -0.583 1.00 0.00 H new ATOM 0 HB2 ARG A 67 9.288 -4.090 -1.391 1.00 0.00 H new ATOM 0 HB3 ARG A 67 10.472 -2.816 -1.178 1.00 0.00 H new ATOM 0 HG2 ARG A 67 10.892 -3.889 1.164 1.00 0.00 H new ATOM 0 HG3 ARG A 67 10.038 -5.278 0.523 1.00 0.00 H new ATOM 0 HD2 ARG A 67 11.648 -5.599 -1.225 1.00 0.00 H new ATOM 0 HD3 ARG A 67 12.356 -4.016 -0.973 1.00 0.00 H new ATOM 0 HE ARG A 67 12.688 -5.346 1.470 1.00 0.00 H new ATOM 0 HH11 ARG A 67 13.592 -5.859 -1.904 1.00 0.00 H new ATOM 0 HH12 ARG A 67 15.068 -6.740 -1.495 1.00 0.00 H new ATOM 0 HH21 ARG A 67 14.586 -6.479 1.987 1.00 0.00 H new ATOM 0 HH22 ARG A 67 15.628 -7.089 0.698 1.00 0.00 H new ATOM 982 N LEU A 68 6.755 -3.963 0.463 1.00 0.00 N ATOM 983 CA LEU A 68 5.838 -4.838 1.185 1.00 0.00 C ATOM 984 C LEU A 68 5.674 -6.171 0.461 1.00 0.00 C ATOM 985 O LEU A 68 5.000 -6.253 -0.565 1.00 0.00 O ATOM 986 CB LEU A 68 4.476 -4.161 1.346 1.00 0.00 C ATOM 987 CG LEU A 68 3.546 -4.765 2.399 1.00 0.00 C ATOM 988 CD1 LEU A 68 3.774 -4.109 3.751 1.00 0.00 C ATOM 989 CD2 LEU A 68 2.093 -4.621 1.972 1.00 0.00 C ATOM 0 H LEU A 68 6.430 -3.684 -0.463 1.00 0.00 H new ATOM 0 HA LEU A 68 6.260 -5.031 2.172 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.641 -3.113 1.595 1.00 0.00 H new ATOM 0 HB3 LEU A 68 3.965 -4.184 0.383 1.00 0.00 H new ATOM 0 HG LEU A 68 3.773 -5.827 2.491 1.00 0.00 H new ATOM 0 HD11 LEU A 68 3.104 -4.551 4.488 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.807 -4.264 4.061 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.575 -3.040 3.675 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.445 -5.056 2.733 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.852 -3.565 1.851 1.00 0.00 H new ATOM 0 HD23 LEU A 68 1.939 -5.139 1.025 1.00 0.00 H new ATOM 1001 N VAL A 69 6.294 -7.214 1.005 1.00 0.00 N ATOM 1002 CA VAL A 69 6.214 -8.544 0.413 1.00 0.00 C ATOM 1003 C VAL A 69 4.988 -9.297 0.919 1.00 0.00 C ATOM 1004 O VAL A 69 4.937 -9.716 2.075 1.00 0.00 O ATOM 1005 CB VAL A 69 7.475 -9.372 0.722 1.00 0.00 C ATOM 1006 CG1 VAL A 69 7.373 -10.754 0.095 1.00 0.00 C ATOM 1007 CG2 VAL A 69 8.720 -8.647 0.234 1.00 0.00 C ATOM 0 H VAL A 69 6.857 -7.163 1.854 1.00 0.00 H new ATOM 0 HA VAL A 69 6.134 -8.407 -0.665 1.00 0.00 H new ATOM 0 HB VAL A 69 7.553 -9.494 1.802 1.00 0.00 H new ATOM 0 HG11 VAL A 69 8.273 -11.325 0.324 1.00 0.00 H new ATOM 0 HG12 VAL A 69 6.502 -11.273 0.497 1.00 0.00 H new ATOM 0 HG13 VAL A 69 7.270 -10.657 -0.986 1.00 0.00 H new ATOM 0 HG21 VAL A 69 9.602 -9.246 0.460 1.00 0.00 H new ATOM 0 HG22 VAL A 69 8.653 -8.493 -0.843 1.00 0.00 H new ATOM 0 HG23 VAL A 69 8.799 -7.682 0.734 1.00 0.00 H new ATOM 1017 N VAL A 70 4.003 -9.468 0.043 1.00 0.00 N ATOM 1018 CA VAL A 70 2.777 -10.173 0.400 1.00 0.00 C ATOM 1019 C VAL A 70 2.822 -11.624 -0.066 1.00 0.00 C ATOM 1020 O VAL A 70 2.610 -11.914 -1.243 1.00 0.00 O ATOM 1021 CB VAL A 70 1.539 -9.488 -0.209 1.00 0.00 C ATOM 1022 CG1 VAL A 70 0.279 -10.274 0.119 1.00 0.00 C ATOM 1023 CG2 VAL A 70 1.426 -8.054 0.286 1.00 0.00 C ATOM 0 H VAL A 70 4.030 -9.128 -0.918 1.00 0.00 H new ATOM 0 HA VAL A 70 2.701 -10.146 1.487 1.00 0.00 H new ATOM 0 HB VAL A 70 1.654 -9.466 -1.293 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.585 -9.775 -0.319 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.362 -11.281 -0.289 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.156 -10.330 1.201 1.00 0.00 H new ATOM 0 HG21 VAL A 70 0.546 -7.585 -0.154 1.00 0.00 H new ATOM 0 HG22 VAL A 70 1.334 -8.050 1.372 1.00 0.00 H new ATOM 0 HG23 VAL A 70 2.317 -7.497 -0.005 1.00 0.00 H new ATOM 1033 N GLN A 71 3.100 -12.530 0.866 1.00 0.00 N ATOM 1034 CA GLN A 71 3.173 -13.952 0.550 1.00 0.00 C ATOM 1035 C GLN A 71 1.791 -14.510 0.231 1.00 0.00 C ATOM 1036 O GLN A 71 0.791 -14.083 0.807 1.00 0.00 O ATOM 1037 CB GLN A 71 3.791 -14.724 1.717 1.00 0.00 C ATOM 1038 CG GLN A 71 5.286 -14.495 1.874 1.00 0.00 C ATOM 1039 CD GLN A 71 6.113 -15.420 1.004 1.00 0.00 C ATOM 1040 OE1 GLN A 71 5.778 -15.664 -0.156 1.00 0.00 O ATOM 1041 NE2 GLN A 71 7.201 -15.941 1.560 1.00 0.00 N ATOM 0 H GLN A 71 3.278 -12.305 1.845 1.00 0.00 H new ATOM 0 HA GLN A 71 3.805 -14.071 -0.330 1.00 0.00 H new ATOM 0 HB2 GLN A 71 3.289 -14.435 2.640 1.00 0.00 H new ATOM 0 HB3 GLN A 71 3.608 -15.789 1.575 1.00 0.00 H new ATOM 0 HG2 GLN A 71 5.520 -13.461 1.622 1.00 0.00 H new ATOM 0 HG3 GLN A 71 5.564 -14.639 2.918 1.00 0.00 H new ATOM 0 HE21 GLN A 71 7.441 -15.711 2.524 1.00 0.00 H new ATOM 0 HE22 GLN A 71 7.797 -16.571 1.022 1.00 0.00 H new ATOM 1050 N GLN A 72 1.743 -15.467 -0.691 1.00 0.00 N ATOM 1051 CA GLN A 72 0.482 -16.082 -1.087 1.00 0.00 C ATOM 1052 C GLN A 72 -0.534 -15.024 -1.505 1.00 0.00 C ATOM 1053 O GLN A 72 -1.685 -15.050 -1.073 1.00 0.00 O ATOM 1054 CB GLN A 72 -0.083 -16.922 0.060 1.00 0.00 C ATOM 1055 CG GLN A 72 0.496 -18.326 0.128 1.00 0.00 C ATOM 1056 CD GLN A 72 0.044 -19.085 1.361 1.00 0.00 C ATOM 1057 OE1 GLN A 72 -1.142 -19.374 1.526 1.00 0.00 O ATOM 1058 NE2 GLN A 72 0.988 -19.411 2.235 1.00 0.00 N ATOM 0 H GLN A 72 2.562 -15.832 -1.177 1.00 0.00 H new ATOM 0 HA GLN A 72 0.677 -16.730 -1.942 1.00 0.00 H new ATOM 0 HB2 GLN A 72 0.112 -16.412 1.003 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -1.165 -16.989 -0.049 1.00 0.00 H new ATOM 0 HG2 GLN A 72 0.201 -18.880 -0.763 1.00 0.00 H new ATOM 0 HG3 GLN A 72 1.584 -18.267 0.121 1.00 0.00 H new ATOM 0 HE21 GLN A 72 1.958 -19.151 2.058 1.00 0.00 H new ATOM 0 HE22 GLN A 72 0.743 -19.921 3.084 1.00 0.00 H new ATOM 1067 N ALA A 73 -0.098 -14.094 -2.348 1.00 0.00 N ATOM 1068 CA ALA A 73 -0.969 -13.027 -2.826 1.00 0.00 C ATOM 1069 C ALA A 73 -2.197 -13.595 -3.530 1.00 0.00 C ATOM 1070 O ALA A 73 -2.114 -14.060 -4.666 1.00 0.00 O ATOM 1071 CB ALA A 73 -0.205 -12.100 -3.760 1.00 0.00 C ATOM 0 H ALA A 73 0.853 -14.058 -2.714 1.00 0.00 H new ATOM 0 HA ALA A 73 -1.309 -12.455 -1.963 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -0.868 -11.308 -4.109 1.00 0.00 H new ATOM 0 HB2 ALA A 73 0.637 -11.659 -3.226 1.00 0.00 H new ATOM 0 HB3 ALA A 73 0.164 -12.668 -4.614 1.00 0.00 H new ATOM 1077 N GLY A 74 -3.336 -13.555 -2.846 1.00 0.00 N ATOM 1078 CA GLY A 74 -4.565 -14.070 -3.422 1.00 0.00 C ATOM 1079 C GLY A 74 -5.663 -13.026 -3.473 1.00 0.00 C ATOM 1080 O GLY A 74 -5.472 -11.894 -3.030 1.00 0.00 O ATOM 0 H GLY A 74 -3.430 -13.176 -1.904 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -4.366 -14.433 -4.430 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -4.907 -14.924 -2.837 1.00 0.00 H new ATOM 1084 N GLN A 75 -6.815 -13.407 -4.016 1.00 0.00 N ATOM 1085 CA GLN A 75 -7.946 -12.494 -4.126 1.00 0.00 C ATOM 1086 C GLN A 75 -8.055 -11.610 -2.888 1.00 0.00 C ATOM 1087 O GLN A 75 -8.140 -10.387 -2.991 1.00 0.00 O ATOM 1088 CB GLN A 75 -9.245 -13.278 -4.323 1.00 0.00 C ATOM 1089 CG GLN A 75 -9.253 -14.136 -5.578 1.00 0.00 C ATOM 1090 CD GLN A 75 -8.854 -13.360 -6.818 1.00 0.00 C ATOM 1091 OE1 GLN A 75 -9.023 -12.143 -6.883 1.00 0.00 O ATOM 1092 NE2 GLN A 75 -8.321 -14.063 -7.810 1.00 0.00 N ATOM 0 H GLN A 75 -6.989 -14.341 -4.386 1.00 0.00 H new ATOM 0 HA GLN A 75 -7.781 -11.855 -4.993 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -9.409 -13.917 -3.455 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -10.079 -12.578 -4.366 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -8.571 -14.975 -5.444 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -10.249 -14.555 -5.721 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -8.199 -15.071 -7.713 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -8.033 -13.595 -8.669 1.00 0.00 H new ATOM 1101 N ALA A 76 -8.051 -12.239 -1.716 1.00 0.00 N ATOM 1102 CA ALA A 76 -8.148 -11.510 -0.458 1.00 0.00 C ATOM 1103 C ALA A 76 -7.096 -10.408 -0.380 1.00 0.00 C ATOM 1104 O ALA A 76 -7.408 -9.262 -0.059 1.00 0.00 O ATOM 1105 CB ALA A 76 -8.004 -12.465 0.718 1.00 0.00 C ATOM 0 H ALA A 76 -7.982 -13.251 -1.613 1.00 0.00 H new ATOM 0 HA ALA A 76 -9.131 -11.041 -0.412 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -8.078 -11.907 1.651 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -8.796 -13.213 0.678 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -7.034 -12.960 0.668 1.00 0.00 H new ATOM 1111 N GLU A 77 -5.849 -10.765 -0.674 1.00 0.00 N ATOM 1112 CA GLU A 77 -4.752 -9.806 -0.634 1.00 0.00 C ATOM 1113 C GLU A 77 -4.973 -8.684 -1.645 1.00 0.00 C ATOM 1114 O GLU A 77 -4.696 -7.519 -1.365 1.00 0.00 O ATOM 1115 CB GLU A 77 -3.422 -10.508 -0.917 1.00 0.00 C ATOM 1116 CG GLU A 77 -2.904 -11.326 0.254 1.00 0.00 C ATOM 1117 CD GLU A 77 -3.904 -12.362 0.729 1.00 0.00 C ATOM 1118 OE1 GLU A 77 -3.904 -13.482 0.177 1.00 0.00 O ATOM 1119 OE2 GLU A 77 -4.686 -12.052 1.652 1.00 0.00 O ATOM 0 H GLU A 77 -5.574 -11.710 -0.942 1.00 0.00 H new ATOM 0 HA GLU A 77 -4.720 -9.370 0.365 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -3.543 -11.162 -1.781 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -2.676 -9.760 -1.185 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -1.980 -11.825 -0.037 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -2.659 -10.658 1.079 1.00 0.00 H new ATOM 1126 N ALA A 78 -5.473 -9.046 -2.822 1.00 0.00 N ATOM 1127 CA ALA A 78 -5.733 -8.072 -3.874 1.00 0.00 C ATOM 1128 C ALA A 78 -6.624 -6.942 -3.368 1.00 0.00 C ATOM 1129 O ALA A 78 -7.744 -7.176 -2.916 1.00 0.00 O ATOM 1130 CB ALA A 78 -6.371 -8.751 -5.077 1.00 0.00 C ATOM 0 H ALA A 78 -5.706 -10.007 -3.071 1.00 0.00 H new ATOM 0 HA ALA A 78 -4.780 -7.640 -4.178 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -6.560 -8.011 -5.855 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -5.698 -9.518 -5.461 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -7.313 -9.211 -4.778 1.00 0.00 H new ATOM 1136 N GLY A 79 -6.118 -5.715 -3.447 1.00 0.00 N ATOM 1137 CA GLY A 79 -6.881 -4.567 -2.992 1.00 0.00 C ATOM 1138 C GLY A 79 -6.132 -3.262 -3.178 1.00 0.00 C ATOM 1139 O GLY A 79 -5.434 -3.078 -4.174 1.00 0.00 O ATOM 0 H GLY A 79 -5.194 -5.495 -3.818 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -7.824 -4.522 -3.537 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -7.128 -4.693 -1.938 1.00 0.00 H new ATOM 1143 N GLU A 80 -6.280 -2.355 -2.218 1.00 0.00 N ATOM 1144 CA GLU A 80 -5.613 -1.059 -2.284 1.00 0.00 C ATOM 1145 C GLU A 80 -4.730 -0.840 -1.059 1.00 0.00 C ATOM 1146 O GLU A 80 -5.226 -0.653 0.052 1.00 0.00 O ATOM 1147 CB GLU A 80 -6.645 0.065 -2.390 1.00 0.00 C ATOM 1148 CG GLU A 80 -7.100 0.341 -3.814 1.00 0.00 C ATOM 1149 CD GLU A 80 -8.044 1.524 -3.905 1.00 0.00 C ATOM 1150 OE1 GLU A 80 -9.243 1.352 -3.602 1.00 0.00 O ATOM 1151 OE2 GLU A 80 -7.582 2.622 -4.281 1.00 0.00 O ATOM 0 H GLU A 80 -6.855 -2.493 -1.387 1.00 0.00 H new ATOM 0 HA GLU A 80 -4.982 -1.048 -3.173 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -7.513 -0.192 -1.783 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -6.221 0.977 -1.970 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -6.228 0.528 -4.441 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -7.594 -0.545 -4.212 1.00 0.00 H new ATOM 1158 N TYR A 81 -3.419 -0.864 -1.271 1.00 0.00 N ATOM 1159 CA TYR A 81 -2.465 -0.671 -0.184 1.00 0.00 C ATOM 1160 C TYR A 81 -1.952 0.766 -0.159 1.00 0.00 C ATOM 1161 O TYR A 81 -1.470 1.283 -1.167 1.00 0.00 O ATOM 1162 CB TYR A 81 -1.291 -1.640 -0.329 1.00 0.00 C ATOM 1163 CG TYR A 81 -1.637 -3.068 0.030 1.00 0.00 C ATOM 1164 CD1 TYR A 81 -2.341 -3.876 -0.853 1.00 0.00 C ATOM 1165 CD2 TYR A 81 -1.261 -3.607 1.254 1.00 0.00 C ATOM 1166 CE1 TYR A 81 -2.660 -5.181 -0.528 1.00 0.00 C ATOM 1167 CE2 TYR A 81 -1.574 -4.911 1.587 1.00 0.00 C ATOM 1168 CZ TYR A 81 -2.274 -5.694 0.692 1.00 0.00 C ATOM 1169 OH TYR A 81 -2.589 -6.992 1.020 1.00 0.00 O ATOM 0 H TYR A 81 -2.992 -1.015 -2.185 1.00 0.00 H new ATOM 0 HA TYR A 81 -2.979 -0.872 0.756 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -0.931 -1.610 -1.357 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -0.472 -1.303 0.306 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -2.644 -3.478 -1.810 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -0.715 -2.996 1.957 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -3.209 -5.796 -1.226 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -1.273 -5.315 2.542 1.00 0.00 H new ATOM 0 HH TYR A 81 -3.112 -7.395 0.296 1.00 0.00 H new ATOM 1179 N SER A 82 -2.060 1.406 1.001 1.00 0.00 N ATOM 1180 CA SER A 82 -1.611 2.784 1.159 1.00 0.00 C ATOM 1181 C SER A 82 -0.471 2.871 2.169 1.00 0.00 C ATOM 1182 O SER A 82 -0.606 2.436 3.313 1.00 0.00 O ATOM 1183 CB SER A 82 -2.773 3.673 1.606 1.00 0.00 C ATOM 1184 OG SER A 82 -3.847 3.611 0.685 1.00 0.00 O ATOM 0 H SER A 82 -2.455 0.992 1.845 1.00 0.00 H new ATOM 0 HA SER A 82 -1.246 3.134 0.194 1.00 0.00 H new ATOM 0 HB2 SER A 82 -3.117 3.359 2.592 1.00 0.00 H new ATOM 0 HB3 SER A 82 -2.431 4.703 1.701 1.00 0.00 H new ATOM 0 HG SER A 82 -4.577 4.187 0.995 1.00 0.00 H new ATOM 1190 N CYS A 83 0.651 3.435 1.737 1.00 0.00 N ATOM 1191 CA CYS A 83 1.817 3.579 2.602 1.00 0.00 C ATOM 1192 C CYS A 83 1.853 4.965 3.240 1.00 0.00 C ATOM 1193 O CYS A 83 2.303 5.930 2.623 1.00 0.00 O ATOM 1194 CB CYS A 83 3.101 3.337 1.807 1.00 0.00 C ATOM 1195 SG CYS A 83 4.617 3.659 2.738 1.00 0.00 S ATOM 0 H CYS A 83 0.778 3.800 0.793 1.00 0.00 H new ATOM 0 HA CYS A 83 1.744 2.835 3.395 1.00 0.00 H new ATOM 0 HB2 CYS A 83 3.112 2.303 1.461 1.00 0.00 H new ATOM 0 HB3 CYS A 83 3.091 3.970 0.920 1.00 0.00 H new ATOM 0 HG CYS A 83 5.648 3.463 1.970 1.00 0.00 H new ATOM 1201 N GLU A 84 1.374 5.054 4.477 1.00 0.00 N ATOM 1202 CA GLU A 84 1.350 6.322 5.196 1.00 0.00 C ATOM 1203 C GLU A 84 2.692 6.591 5.870 1.00 0.00 C ATOM 1204 O GLU A 84 3.251 5.719 6.534 1.00 0.00 O ATOM 1205 CB GLU A 84 0.233 6.319 6.242 1.00 0.00 C ATOM 1206 CG GLU A 84 -0.325 7.700 6.540 1.00 0.00 C ATOM 1207 CD GLU A 84 -0.825 7.832 7.966 1.00 0.00 C ATOM 1208 OE1 GLU A 84 -0.196 7.244 8.871 1.00 0.00 O ATOM 1209 OE2 GLU A 84 -1.844 8.522 8.177 1.00 0.00 O ATOM 0 H GLU A 84 0.998 4.264 5.001 1.00 0.00 H new ATOM 0 HA GLU A 84 1.160 7.116 4.474 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -0.576 5.676 5.895 1.00 0.00 H new ATOM 0 HB3 GLU A 84 0.613 5.883 7.166 1.00 0.00 H new ATOM 0 HG2 GLU A 84 0.448 8.447 6.359 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -1.142 7.914 5.851 1.00 0.00 H new ATOM 1216 N ALA A 85 3.203 7.805 5.693 1.00 0.00 N ATOM 1217 CA ALA A 85 4.478 8.191 6.285 1.00 0.00 C ATOM 1218 C ALA A 85 4.370 9.537 6.993 1.00 0.00 C ATOM 1219 O ALA A 85 5.357 10.057 7.512 1.00 0.00 O ATOM 1220 CB ALA A 85 5.562 8.238 5.218 1.00 0.00 C ATOM 0 H ALA A 85 2.754 8.538 5.144 1.00 0.00 H new ATOM 0 HA ALA A 85 4.748 7.441 7.028 1.00 0.00 H new ATOM 0 HB1 ALA A 85 6.509 8.528 5.674 1.00 0.00 H new ATOM 0 HB2 ALA A 85 5.665 7.254 4.761 1.00 0.00 H new ATOM 0 HB3 ALA A 85 5.289 8.966 4.454 1.00 0.00 H new ATOM 1226 N GLY A 86 3.164 10.097 7.010 1.00 0.00 N ATOM 1227 CA GLY A 86 2.951 11.378 7.656 1.00 0.00 C ATOM 1228 C GLY A 86 1.812 12.160 7.030 1.00 0.00 C ATOM 1229 O GLY A 86 0.645 11.927 7.342 1.00 0.00 O ATOM 0 H GLY A 86 2.331 9.686 6.588 1.00 0.00 H new ATOM 0 HA2 GLY A 86 2.740 11.218 8.713 1.00 0.00 H new ATOM 0 HA3 GLY A 86 3.866 11.967 7.599 1.00 0.00 H new ATOM 1233 N GLY A 87 2.153 13.093 6.146 1.00 0.00 N ATOM 1234 CA GLY A 87 1.139 13.899 5.491 1.00 0.00 C ATOM 1235 C GLY A 87 0.885 13.462 4.062 1.00 0.00 C ATOM 1236 O GLY A 87 0.307 14.208 3.272 1.00 0.00 O ATOM 0 H GLY A 87 3.112 13.305 5.872 1.00 0.00 H new ATOM 0 HA2 GLY A 87 0.209 13.838 6.057 1.00 0.00 H new ATOM 0 HA3 GLY A 87 1.449 14.944 5.498 1.00 0.00 H new ATOM 1240 N GLN A 88 1.319 12.251 3.730 1.00 0.00 N ATOM 1241 CA GLN A 88 1.137 11.717 2.385 1.00 0.00 C ATOM 1242 C GLN A 88 0.991 10.200 2.417 1.00 0.00 C ATOM 1243 O GLN A 88 1.471 9.540 3.338 1.00 0.00 O ATOM 1244 CB GLN A 88 2.316 12.110 1.494 1.00 0.00 C ATOM 1245 CG GLN A 88 2.318 13.577 1.098 1.00 0.00 C ATOM 1246 CD GLN A 88 3.013 13.823 -0.227 1.00 0.00 C ATOM 1247 OE1 GLN A 88 2.423 14.372 -1.158 1.00 0.00 O ATOM 1248 NE2 GLN A 88 4.274 13.418 -0.319 1.00 0.00 N ATOM 0 H GLN A 88 1.799 11.621 4.373 1.00 0.00 H new ATOM 0 HA GLN A 88 0.222 12.142 1.973 1.00 0.00 H new ATOM 0 HB2 GLN A 88 3.246 11.882 2.015 1.00 0.00 H new ATOM 0 HB3 GLN A 88 2.298 11.499 0.592 1.00 0.00 H new ATOM 0 HG2 GLN A 88 1.290 13.934 1.037 1.00 0.00 H new ATOM 0 HG3 GLN A 88 2.812 14.159 1.876 1.00 0.00 H new ATOM 0 HE21 GLN A 88 4.724 12.967 0.478 1.00 0.00 H new ATOM 0 HE22 GLN A 88 4.793 13.558 -1.186 1.00 0.00 H new ATOM 1257 N GLN A 89 0.324 9.653 1.405 1.00 0.00 N ATOM 1258 CA GLN A 89 0.114 8.212 1.319 1.00 0.00 C ATOM 1259 C GLN A 89 0.102 7.750 -0.135 1.00 0.00 C ATOM 1260 O GLN A 89 -0.694 8.232 -0.943 1.00 0.00 O ATOM 1261 CB GLN A 89 -1.199 7.825 2.001 1.00 0.00 C ATOM 1262 CG GLN A 89 -1.217 8.113 3.493 1.00 0.00 C ATOM 1263 CD GLN A 89 -2.618 8.332 4.029 1.00 0.00 C ATOM 1264 OE1 GLN A 89 -3.160 9.435 3.949 1.00 0.00 O ATOM 1265 NE2 GLN A 89 -3.213 7.280 4.578 1.00 0.00 N ATOM 0 H GLN A 89 -0.080 10.185 0.634 1.00 0.00 H new ATOM 0 HA GLN A 89 0.940 7.718 1.831 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -2.018 8.364 1.525 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -1.382 6.762 1.842 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -0.755 7.282 4.025 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -0.612 8.997 3.696 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -2.726 6.385 4.623 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -4.157 7.367 4.955 1.00 0.00 H new ATOM 1274 N LEU A 90 0.987 6.815 -0.461 1.00 0.00 N ATOM 1275 CA LEU A 90 1.078 6.288 -1.818 1.00 0.00 C ATOM 1276 C LEU A 90 0.142 5.098 -2.004 1.00 0.00 C ATOM 1277 O LEU A 90 0.102 4.191 -1.172 1.00 0.00 O ATOM 1278 CB LEU A 90 2.517 5.873 -2.130 1.00 0.00 C ATOM 1279 CG LEU A 90 3.517 7.013 -2.325 1.00 0.00 C ATOM 1280 CD1 LEU A 90 4.941 6.509 -2.158 1.00 0.00 C ATOM 1281 CD2 LEU A 90 3.333 7.655 -3.693 1.00 0.00 C ATOM 0 H LEU A 90 1.652 6.406 0.196 1.00 0.00 H new ATOM 0 HA LEU A 90 0.776 7.076 -2.508 1.00 0.00 H new ATOM 0 HB2 LEU A 90 2.874 5.238 -1.320 1.00 0.00 H new ATOM 0 HB3 LEU A 90 2.510 5.264 -3.034 1.00 0.00 H new ATOM 0 HG LEU A 90 3.330 7.769 -1.562 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.638 7.335 -2.300 1.00 0.00 H new ATOM 0 HD12 LEU A 90 5.066 6.097 -1.157 1.00 0.00 H new ATOM 0 HD13 LEU A 90 5.141 5.733 -2.897 1.00 0.00 H new ATOM 0 HD21 LEU A 90 4.053 8.464 -3.815 1.00 0.00 H new ATOM 0 HD22 LEU A 90 3.492 6.908 -4.470 1.00 0.00 H new ATOM 0 HD23 LEU A 90 2.322 8.053 -3.775 1.00 0.00 H new ATOM 1293 N SER A 91 -0.608 5.106 -3.101 1.00 0.00 N ATOM 1294 CA SER A 91 -1.545 4.028 -3.395 1.00 0.00 C ATOM 1295 C SER A 91 -0.876 2.941 -4.231 1.00 0.00 C ATOM 1296 O SER A 91 -0.176 3.231 -5.202 1.00 0.00 O ATOM 1297 CB SER A 91 -2.768 4.575 -4.133 1.00 0.00 C ATOM 1298 OG SER A 91 -3.015 5.926 -3.781 1.00 0.00 O ATOM 0 H SER A 91 -0.585 5.847 -3.801 1.00 0.00 H new ATOM 0 HA SER A 91 -1.866 3.590 -2.450 1.00 0.00 H new ATOM 0 HB2 SER A 91 -2.611 4.499 -5.209 1.00 0.00 H new ATOM 0 HB3 SER A 91 -3.642 3.968 -3.895 1.00 0.00 H new ATOM 0 HG SER A 91 -3.801 6.252 -4.267 1.00 0.00 H new ATOM 1304 N PHE A 92 -1.098 1.688 -3.847 1.00 0.00 N ATOM 1305 CA PHE A 92 -0.517 0.556 -4.560 1.00 0.00 C ATOM 1306 C PHE A 92 -1.559 -0.535 -4.788 1.00 0.00 C ATOM 1307 O PHE A 92 -1.721 -1.435 -3.965 1.00 0.00 O ATOM 1308 CB PHE A 92 0.669 -0.011 -3.778 1.00 0.00 C ATOM 1309 CG PHE A 92 1.918 0.815 -3.900 1.00 0.00 C ATOM 1310 CD1 PHE A 92 2.153 1.870 -3.032 1.00 0.00 C ATOM 1311 CD2 PHE A 92 2.856 0.537 -4.881 1.00 0.00 C ATOM 1312 CE1 PHE A 92 3.300 2.633 -3.142 1.00 0.00 C ATOM 1313 CE2 PHE A 92 4.005 1.296 -4.995 1.00 0.00 C ATOM 1314 CZ PHE A 92 4.228 2.345 -4.124 1.00 0.00 C ATOM 0 H PHE A 92 -1.676 1.431 -3.047 1.00 0.00 H new ATOM 0 HA PHE A 92 -0.168 0.909 -5.530 1.00 0.00 H new ATOM 0 HB2 PHE A 92 0.396 -0.089 -2.726 1.00 0.00 H new ATOM 0 HB3 PHE A 92 0.876 -1.022 -4.129 1.00 0.00 H new ATOM 0 HD1 PHE A 92 1.432 2.098 -2.261 1.00 0.00 H new ATOM 0 HD2 PHE A 92 2.687 -0.282 -5.564 1.00 0.00 H new ATOM 0 HE1 PHE A 92 3.471 3.454 -2.461 1.00 0.00 H new ATOM 0 HE2 PHE A 92 4.728 1.069 -5.764 1.00 0.00 H new ATOM 0 HZ PHE A 92 5.126 2.939 -4.211 1.00 0.00 H new ATOM 1324 N ARG A 93 -2.263 -0.447 -5.912 1.00 0.00 N ATOM 1325 CA ARG A 93 -3.290 -1.425 -6.249 1.00 0.00 C ATOM 1326 C ARG A 93 -2.664 -2.770 -6.604 1.00 0.00 C ATOM 1327 O ARG A 93 -1.937 -2.887 -7.591 1.00 0.00 O ATOM 1328 CB ARG A 93 -4.141 -0.921 -7.417 1.00 0.00 C ATOM 1329 CG ARG A 93 -5.209 -1.907 -7.862 1.00 0.00 C ATOM 1330 CD ARG A 93 -6.472 -1.775 -7.025 1.00 0.00 C ATOM 1331 NE ARG A 93 -7.061 -0.443 -7.130 1.00 0.00 N ATOM 1332 CZ ARG A 93 -8.295 -0.152 -6.736 1.00 0.00 C ATOM 1333 NH1 ARG A 93 -9.068 -1.095 -6.214 1.00 0.00 N ATOM 1334 NH2 ARG A 93 -8.760 1.084 -6.863 1.00 0.00 N ATOM 0 H ARG A 93 -2.141 0.292 -6.605 1.00 0.00 H new ATOM 0 HA ARG A 93 -3.928 -1.560 -5.376 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -4.620 0.015 -7.129 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -3.489 -0.699 -8.262 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -5.448 -1.737 -8.912 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -4.823 -2.923 -7.783 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -7.200 -2.520 -7.347 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -6.239 -1.987 -5.982 1.00 0.00 H new ATOM 0 HE ARG A 93 -6.493 0.305 -7.528 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -8.715 -2.047 -6.114 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -10.016 -0.868 -5.912 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -8.169 1.812 -7.264 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -9.708 1.306 -6.560 1.00 0.00 H new ATOM 1348 N LEU A 94 -2.951 -3.783 -5.794 1.00 0.00 N ATOM 1349 CA LEU A 94 -2.417 -5.121 -6.022 1.00 0.00 C ATOM 1350 C LEU A 94 -3.478 -6.036 -6.625 1.00 0.00 C ATOM 1351 O LEU A 94 -4.511 -6.293 -6.008 1.00 0.00 O ATOM 1352 CB LEU A 94 -1.899 -5.715 -4.711 1.00 0.00 C ATOM 1353 CG LEU A 94 -1.540 -7.201 -4.743 1.00 0.00 C ATOM 1354 CD1 LEU A 94 -0.350 -7.442 -5.659 1.00 0.00 C ATOM 1355 CD2 LEU A 94 -1.246 -7.709 -3.339 1.00 0.00 C ATOM 0 H LEU A 94 -3.551 -3.703 -4.973 1.00 0.00 H new ATOM 0 HA LEU A 94 -1.591 -5.040 -6.728 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -1.015 -5.155 -4.406 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -2.656 -5.561 -3.942 1.00 0.00 H new ATOM 0 HG LEU A 94 -2.393 -7.753 -5.136 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -0.108 -8.505 -5.670 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.597 -7.116 -6.669 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.509 -6.878 -5.295 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -0.992 -8.768 -3.381 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -0.409 -7.152 -2.918 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -2.126 -7.571 -2.711 1.00 0.00 H new ATOM 1367 N GLN A 95 -3.213 -6.525 -7.832 1.00 0.00 N ATOM 1368 CA GLN A 95 -4.146 -7.413 -8.516 1.00 0.00 C ATOM 1369 C GLN A 95 -3.620 -8.845 -8.535 1.00 0.00 C ATOM 1370 O GLN A 95 -2.436 -9.079 -8.776 1.00 0.00 O ATOM 1371 CB GLN A 95 -4.388 -6.928 -9.947 1.00 0.00 C ATOM 1372 CG GLN A 95 -5.219 -5.658 -10.026 1.00 0.00 C ATOM 1373 CD GLN A 95 -5.256 -5.070 -11.422 1.00 0.00 C ATOM 1374 OE1 GLN A 95 -4.959 -5.752 -12.404 1.00 0.00 O ATOM 1375 NE2 GLN A 95 -5.621 -3.797 -11.520 1.00 0.00 N ATOM 0 H GLN A 95 -2.362 -6.322 -8.356 1.00 0.00 H new ATOM 0 HA GLN A 95 -5.089 -7.398 -7.970 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -3.427 -6.754 -10.430 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -4.889 -7.716 -10.509 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -6.236 -5.873 -9.700 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -4.813 -4.919 -9.335 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -5.859 -3.269 -10.681 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -5.664 -3.348 -12.435 1.00 0.00 H new ATOM 1384 N VAL A 96 -4.509 -9.799 -8.278 1.00 0.00 N ATOM 1385 CA VAL A 96 -4.135 -11.209 -8.266 1.00 0.00 C ATOM 1386 C VAL A 96 -4.760 -11.953 -9.440 1.00 0.00 C ATOM 1387 O VAL A 96 -5.920 -11.728 -9.785 1.00 0.00 O ATOM 1388 CB VAL A 96 -4.562 -11.891 -6.953 1.00 0.00 C ATOM 1389 CG1 VAL A 96 -4.206 -13.370 -6.980 1.00 0.00 C ATOM 1390 CG2 VAL A 96 -3.919 -11.201 -5.760 1.00 0.00 C ATOM 0 H VAL A 96 -5.493 -9.622 -8.075 1.00 0.00 H new ATOM 0 HA VAL A 96 -3.049 -11.250 -8.351 1.00 0.00 H new ATOM 0 HB VAL A 96 -5.644 -11.804 -6.853 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -4.515 -13.836 -6.044 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -4.719 -13.853 -7.812 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.129 -13.483 -7.103 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -4.232 -11.696 -4.841 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -2.834 -11.255 -5.850 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -4.229 -10.156 -5.733 1.00 0.00 H new ATOM 1400 N ALA A 97 -3.983 -12.842 -10.051 1.00 0.00 N ATOM 1401 CA ALA A 97 -4.461 -13.622 -11.186 1.00 0.00 C ATOM 1402 C ALA A 97 -4.575 -15.100 -10.827 1.00 0.00 C ATOM 1403 O ALA A 97 -4.082 -15.536 -9.787 1.00 0.00 O ATOM 1404 CB ALA A 97 -3.538 -13.437 -12.381 1.00 0.00 C ATOM 0 H ALA A 97 -3.020 -13.040 -9.779 1.00 0.00 H new ATOM 0 HA ALA A 97 -5.455 -13.261 -11.450 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -3.908 -14.025 -13.221 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -3.511 -12.384 -12.660 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -2.533 -13.769 -12.120 1.00 0.00 H new ATOM 1410 N GLY A 98 -5.228 -15.867 -11.694 1.00 0.00 N ATOM 1411 CA GLY A 98 -5.395 -17.288 -11.450 1.00 0.00 C ATOM 1412 C GLY A 98 -5.847 -17.583 -10.033 1.00 0.00 C ATOM 1413 O GLY A 98 -6.444 -16.732 -9.376 1.00 0.00 O ATOM 0 H GLY A 98 -5.645 -15.530 -12.562 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -6.125 -17.691 -12.152 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -4.452 -17.800 -11.641 1.00 0.00 H new ATOM 1417 N GLN A 99 -5.562 -18.794 -9.564 1.00 0.00 N ATOM 1418 CA GLN A 99 -5.946 -19.199 -8.217 1.00 0.00 C ATOM 1419 C GLN A 99 -5.045 -20.320 -7.708 1.00 0.00 C ATOM 1420 O GLN A 99 -4.507 -21.101 -8.493 1.00 0.00 O ATOM 1421 CB GLN A 99 -7.407 -19.654 -8.195 1.00 0.00 C ATOM 1422 CG GLN A 99 -7.653 -20.947 -8.955 1.00 0.00 C ATOM 1423 CD GLN A 99 -9.048 -21.497 -8.734 1.00 0.00 C ATOM 1424 OE1 GLN A 99 -9.513 -21.604 -7.599 1.00 0.00 O ATOM 1425 NE2 GLN A 99 -9.724 -21.850 -9.821 1.00 0.00 N ATOM 0 H GLN A 99 -5.068 -19.510 -10.096 1.00 0.00 H new ATOM 0 HA GLN A 99 -5.831 -18.337 -7.559 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -7.722 -19.785 -7.160 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -8.030 -18.868 -8.621 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -7.500 -20.773 -10.020 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -6.920 -21.691 -8.645 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -9.300 -21.744 -10.742 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -10.668 -22.227 -9.735 1.00 0.00 H new ATOM 1434 N CYS A 100 -4.885 -20.391 -6.392 1.00 0.00 N ATOM 1435 CA CYS A 100 -4.047 -21.416 -5.778 1.00 0.00 C ATOM 1436 C CYS A 100 -4.540 -22.812 -6.144 1.00 0.00 C ATOM 1437 O CYS A 100 -5.743 -23.071 -6.168 1.00 0.00 O ATOM 1438 CB CYS A 100 -4.033 -21.249 -4.258 1.00 0.00 C ATOM 1439 SG CYS A 100 -2.756 -20.122 -3.651 1.00 0.00 S ATOM 0 H CYS A 100 -5.324 -19.752 -5.729 1.00 0.00 H new ATOM 0 HA CYS A 100 -3.033 -21.297 -6.159 1.00 0.00 H new ATOM 0 HB2 CYS A 100 -5.008 -20.884 -3.934 1.00 0.00 H new ATOM 0 HB3 CYS A 100 -3.889 -22.226 -3.797 1.00 0.00 H new ATOM 0 HG CYS A 100 -2.826 -20.045 -2.355 1.00 0.00 H new ATOM 1445 N PHE A 101 -3.602 -23.709 -6.430 1.00 0.00 N ATOM 1446 CA PHE A 101 -3.940 -25.079 -6.798 1.00 0.00 C ATOM 1447 C PHE A 101 -2.978 -26.070 -6.150 1.00 0.00 C ATOM 1448 O PHE A 101 -1.774 -25.827 -6.080 1.00 0.00 O ATOM 1449 CB PHE A 101 -3.911 -25.243 -8.319 1.00 0.00 C ATOM 1450 CG PHE A 101 -4.812 -26.334 -8.822 1.00 0.00 C ATOM 1451 CD1 PHE A 101 -4.386 -27.652 -8.834 1.00 0.00 C ATOM 1452 CD2 PHE A 101 -6.086 -26.042 -9.282 1.00 0.00 C ATOM 1453 CE1 PHE A 101 -5.213 -28.658 -9.296 1.00 0.00 C ATOM 1454 CE2 PHE A 101 -6.918 -27.044 -9.745 1.00 0.00 C ATOM 1455 CZ PHE A 101 -6.481 -28.354 -9.752 1.00 0.00 C ATOM 0 H PHE A 101 -2.601 -23.512 -6.414 1.00 0.00 H new ATOM 0 HA PHE A 101 -4.947 -25.288 -6.436 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -4.201 -24.300 -8.784 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -2.889 -25.453 -8.634 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -3.396 -27.896 -8.478 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -6.433 -25.019 -9.279 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -4.868 -29.681 -9.301 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -7.909 -26.803 -10.101 1.00 0.00 H new ATOM 0 HZ PHE A 101 -7.129 -29.139 -10.113 1.00 0.00 H new ATOM 1465 N GLY A 102 -3.520 -27.188 -5.676 1.00 0.00 N ATOM 1466 CA GLY A 102 -2.696 -28.199 -5.039 1.00 0.00 C ATOM 1467 C GLY A 102 -1.518 -28.612 -5.897 1.00 0.00 C ATOM 1468 O GLY A 102 -1.119 -29.777 -5.897 1.00 0.00 O ATOM 0 H GLY A 102 -4.514 -27.411 -5.722 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -2.331 -27.818 -4.085 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -3.306 -29.075 -4.819 1.00 0.00 H new TER 1472 GLY A 102