USER MOD reduce.3.24.130724 H: found=0, std=0, add=911, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 914 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 96 TYR OH : rot -42:sc= 1.15 USER MOD Set 1.2: A 100 GLN : amide:sc= 0.886 K(o=2,f=-4.2!) USER MOD Single : A 12 ASN : amide:sc= -1.5 K(o=-1.5,f=-13!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ -123:sc= 0 (180deg=-0.905) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 180:sc= -2.8! USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 87:sc= 0.0593 USER MOD Single : A 50 SER OG : rot 8:sc= 0.444! USER MOD Single : A 56 ASN : amide:sc= -0.153 X(o=-0.15,f=-0.25) USER MOD Single : A 62 TYR OH : rot 180:sc= -1.05 USER MOD Single : A 63 ASN : amide:sc= -2.39 K(o=-2.4,f=-6.4!) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 HIS : no HD1:sc= -0.322 X(o=-0.32,f=-0.49) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 MET CE :methyl 158:sc= -0.0586 (180deg=-0.398) USER MOD Single : A 98 LYS NZ :NH3+ 167:sc= -0.0453 (180deg=-0.362) USER MOD Single : A 102 LYS NZ :NH3+ -111:sc= -0.691 (180deg=-4.43!) USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 THR OG1 : rot 180:sc= -0.316 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= -0.0923 (180deg=-0.0923) USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 LYS NZ :NH3+ 170:sc= -0.686 (180deg=-0.914) USER MOD Single : A 115 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 116 ASN : amide:sc= 0 X(o=0,f=-0.0024) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 LYS NZ :NH3+ -117:sc=-0.00902 (180deg=-1.41) USER MOD ----------------------------------------------------------------- ATOM 77 N ILE A 6 -9.559 -13.159 -11.786 1.00 0.00 N ATOM 78 CA ILE A 6 -8.810 -12.391 -10.798 1.00 0.00 C ATOM 79 C ILE A 6 -9.560 -11.124 -10.404 1.00 0.00 C ATOM 80 O ILE A 6 -10.418 -10.643 -11.145 1.00 0.00 O ATOM 81 CB ILE A 6 -7.415 -12.006 -11.328 1.00 0.00 C ATOM 82 CG1 ILE A 6 -6.695 -13.239 -11.879 1.00 0.00 C ATOM 83 CG2 ILE A 6 -6.590 -11.351 -10.230 1.00 0.00 C ATOM 84 CD1 ILE A 6 -6.023 -13.000 -13.213 1.00 0.00 C ATOM 0 HA ILE A 6 -8.695 -13.028 -9.921 1.00 0.00 H new ATOM 0 HB ILE A 6 -7.538 -11.288 -12.139 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -5.946 -13.565 -11.157 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -7.413 -14.053 -11.983 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -5.608 -11.086 -10.622 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -7.097 -10.451 -9.882 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -6.473 -12.046 -9.399 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -5.533 -13.916 -13.543 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -6.770 -12.703 -13.949 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -5.281 -12.208 -13.110 1.00 0.00 H new ATOM 96 N ILE A 7 -9.235 -10.588 -9.231 1.00 0.00 N ATOM 97 CA ILE A 7 -9.884 -9.377 -8.740 1.00 0.00 C ATOM 98 C ILE A 7 -8.860 -8.284 -8.425 1.00 0.00 C ATOM 99 O ILE A 7 -7.923 -8.503 -7.653 1.00 0.00 O ATOM 100 CB ILE A 7 -10.712 -9.660 -7.476 1.00 0.00 C ATOM 101 CG1 ILE A 7 -11.606 -10.885 -7.687 1.00 0.00 C ATOM 102 CG2 ILE A 7 -11.547 -8.444 -7.105 1.00 0.00 C ATOM 103 CD1 ILE A 7 -10.958 -12.185 -7.262 1.00 0.00 C ATOM 0 H ILE A 7 -8.528 -10.972 -8.604 1.00 0.00 H new ATOM 0 HA ILE A 7 -10.545 -9.032 -9.535 1.00 0.00 H new ATOM 0 HB ILE A 7 -10.029 -9.871 -6.653 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -12.532 -10.750 -7.128 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -11.877 -10.950 -8.741 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -12.127 -8.661 -6.208 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -10.890 -7.595 -6.916 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -12.223 -8.203 -7.925 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -11.648 -13.010 -7.440 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -10.047 -12.343 -7.839 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -10.712 -12.139 -6.201 1.00 0.00 H new ATOM 115 N PRO A 8 -9.028 -7.089 -9.023 1.00 0.00 N ATOM 116 CA PRO A 8 -8.123 -5.963 -8.811 1.00 0.00 C ATOM 117 C PRO A 8 -8.499 -5.126 -7.591 1.00 0.00 C ATOM 118 O PRO A 8 -9.680 -4.923 -7.310 1.00 0.00 O ATOM 119 CB PRO A 8 -8.308 -5.151 -10.089 1.00 0.00 C ATOM 120 CG PRO A 8 -9.736 -5.366 -10.464 1.00 0.00 C ATOM 121 CD PRO A 8 -10.114 -6.740 -9.962 1.00 0.00 C ATOM 0 HA PRO A 8 -7.099 -6.284 -8.620 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -8.096 -4.095 -9.923 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -7.635 -5.491 -10.876 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -10.373 -4.602 -10.018 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -9.867 -5.299 -11.544 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -11.084 -6.730 -9.465 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -10.182 -7.459 -10.779 1.00 0.00 H new ATOM 129 N ILE A 9 -7.491 -4.622 -6.882 1.00 0.00 N ATOM 130 CA ILE A 9 -7.718 -3.796 -5.721 1.00 0.00 C ATOM 131 C ILE A 9 -6.743 -2.628 -5.710 1.00 0.00 C ATOM 132 O ILE A 9 -5.730 -2.620 -6.415 1.00 0.00 O ATOM 133 CB ILE A 9 -7.585 -4.565 -4.387 1.00 0.00 C ATOM 134 CG1 ILE A 9 -7.806 -6.069 -4.579 1.00 0.00 C ATOM 135 CG2 ILE A 9 -8.573 -4.014 -3.369 1.00 0.00 C ATOM 136 CD1 ILE A 9 -7.048 -6.922 -3.586 1.00 0.00 C ATOM 0 H ILE A 9 -6.507 -4.778 -7.101 1.00 0.00 H new ATOM 0 HA ILE A 9 -8.747 -3.444 -5.797 1.00 0.00 H new ATOM 0 HB ILE A 9 -6.569 -4.424 -4.018 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -8.871 -6.286 -4.494 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -7.504 -6.346 -5.589 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -8.473 -4.561 -2.432 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -8.366 -2.958 -3.196 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -9.588 -4.128 -3.749 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -7.251 -7.975 -3.781 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -5.979 -6.734 -3.686 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -7.367 -6.672 -2.574 1.00 0.00 H new ATOM 148 N ALA A 10 -7.064 -1.661 -4.891 1.00 0.00 N ATOM 149 CA ALA A 10 -6.260 -0.452 -4.735 1.00 0.00 C ATOM 150 C ALA A 10 -6.052 0.250 -6.076 1.00 0.00 C ATOM 151 O ALA A 10 -6.208 -0.355 -7.136 1.00 0.00 O ATOM 152 CB ALA A 10 -4.923 -0.781 -4.092 1.00 0.00 C ATOM 0 H ALA A 10 -7.897 -1.680 -4.303 1.00 0.00 H new ATOM 0 HA ALA A 10 -6.803 0.230 -4.080 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -4.337 0.132 -3.984 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -5.091 -1.224 -3.110 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -4.381 -1.488 -4.721 1.00 0.00 H new ATOM 158 N GLU A 11 -5.703 1.532 -6.022 1.00 0.00 N ATOM 159 CA GLU A 11 -5.477 2.313 -7.234 1.00 0.00 C ATOM 160 C GLU A 11 -5.048 3.737 -6.895 1.00 0.00 C ATOM 161 O GLU A 11 -5.647 4.391 -6.042 1.00 0.00 O ATOM 162 CB GLU A 11 -6.743 2.342 -8.093 1.00 0.00 C ATOM 163 CG GLU A 11 -7.943 2.952 -7.388 1.00 0.00 C ATOM 164 CD GLU A 11 -9.235 2.743 -8.153 1.00 0.00 C ATOM 165 OE1 GLU A 11 -9.429 3.415 -9.188 1.00 0.00 O ATOM 166 OE2 GLU A 11 -10.054 1.907 -7.717 1.00 0.00 O ATOM 0 H GLU A 11 -5.571 2.051 -5.154 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.675 1.835 -7.796 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -6.541 2.907 -9.003 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -6.989 1.325 -8.397 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -8.038 2.514 -6.395 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -7.775 4.020 -7.250 1.00 0.00 H new ATOM 173 N ASN A 12 -4.007 4.213 -7.574 1.00 0.00 N ATOM 174 CA ASN A 12 -3.496 5.559 -7.347 1.00 0.00 C ATOM 175 C ASN A 12 -2.346 5.872 -8.301 1.00 0.00 C ATOM 176 O ASN A 12 -1.459 5.045 -8.509 1.00 0.00 O ATOM 177 CB ASN A 12 -3.027 5.714 -5.899 1.00 0.00 C ATOM 178 CG ASN A 12 -2.880 7.167 -5.492 1.00 0.00 C ATOM 179 OD1 ASN A 12 -1.950 7.851 -5.919 1.00 0.00 O ATOM 180 ND2 ASN A 12 -3.799 7.645 -4.661 1.00 0.00 N ATOM 0 H ASN A 12 -3.502 3.685 -8.286 1.00 0.00 H new ATOM 0 HA ASN A 12 -4.306 6.264 -7.536 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -3.739 5.224 -5.235 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -2.071 5.206 -5.773 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -3.751 8.616 -4.351 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -4.553 7.041 -4.332 1.00 0.00 H new ATOM 187 N LYS A 13 -2.367 7.071 -8.876 1.00 0.00 N ATOM 188 CA LYS A 13 -1.325 7.490 -9.806 1.00 0.00 C ATOM 189 C LYS A 13 -0.713 8.819 -9.372 1.00 0.00 C ATOM 190 O LYS A 13 -0.515 9.720 -10.188 1.00 0.00 O ATOM 191 CB LYS A 13 -1.894 7.611 -11.221 1.00 0.00 C ATOM 192 CG LYS A 13 -3.071 8.566 -11.323 1.00 0.00 C ATOM 193 CD LYS A 13 -4.381 7.875 -10.982 1.00 0.00 C ATOM 194 CE LYS A 13 -5.290 8.775 -10.160 1.00 0.00 C ATOM 195 NZ LYS A 13 -6.712 8.669 -10.588 1.00 0.00 N ATOM 0 H LYS A 13 -3.094 7.768 -8.714 1.00 0.00 H new ATOM 0 HA LYS A 13 -0.541 6.732 -9.803 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -1.105 7.947 -11.894 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -2.206 6.625 -11.564 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -2.917 9.408 -10.649 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -3.125 8.972 -12.333 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -4.890 7.584 -11.901 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -4.177 6.959 -10.428 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -5.207 8.509 -9.106 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -4.959 9.809 -10.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -7.298 9.298 -10.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -6.796 8.947 -11.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -7.037 7.688 -10.474 1.00 0.00 H new ATOM 209 N GLU A 14 -0.415 8.932 -8.083 1.00 0.00 N ATOM 210 CA GLU A 14 0.174 10.149 -7.536 1.00 0.00 C ATOM 211 C GLU A 14 1.614 10.324 -8.012 1.00 0.00 C ATOM 212 O GLU A 14 1.995 11.394 -8.488 1.00 0.00 O ATOM 213 CB GLU A 14 0.130 10.117 -6.005 1.00 0.00 C ATOM 214 CG GLU A 14 -0.895 11.068 -5.408 1.00 0.00 C ATOM 215 CD GLU A 14 -2.313 10.547 -5.531 1.00 0.00 C ATOM 216 OE1 GLU A 14 -2.738 10.242 -6.665 1.00 0.00 O ATOM 217 OE2 GLU A 14 -3.001 10.446 -4.493 1.00 0.00 O ATOM 0 H GLU A 14 -0.572 8.195 -7.396 1.00 0.00 H new ATOM 0 HA GLU A 14 -0.410 10.997 -7.894 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -0.094 9.102 -5.677 1.00 0.00 H new ATOM 0 HB3 GLU A 14 1.117 10.368 -5.616 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -0.662 11.234 -4.356 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -0.822 12.035 -5.906 1.00 0.00 H new ATOM 224 N ALA A 15 2.411 9.268 -7.876 1.00 0.00 N ATOM 225 CA ALA A 15 3.813 9.304 -8.285 1.00 0.00 C ATOM 226 C ALA A 15 3.968 9.846 -9.705 1.00 0.00 C ATOM 227 O ALA A 15 4.608 10.874 -9.924 1.00 0.00 O ATOM 228 CB ALA A 15 4.427 7.916 -8.177 1.00 0.00 C ATOM 0 H ALA A 15 2.110 8.375 -7.485 1.00 0.00 H new ATOM 0 HA ALA A 15 4.341 9.980 -7.613 1.00 0.00 H new ATOM 0 HB1 ALA A 15 5.472 7.955 -8.484 1.00 0.00 H new ATOM 0 HB2 ALA A 15 4.365 7.570 -7.145 1.00 0.00 H new ATOM 0 HB3 ALA A 15 3.884 7.227 -8.824 1.00 0.00 H new ATOM 234 N LYS A 16 3.375 9.150 -10.666 1.00 0.00 N ATOM 235 CA LYS A 16 3.448 9.558 -12.066 1.00 0.00 C ATOM 236 C LYS A 16 3.097 11.036 -12.227 1.00 0.00 C ATOM 237 O LYS A 16 3.820 11.787 -12.881 1.00 0.00 O ATOM 238 CB LYS A 16 2.506 8.702 -12.916 1.00 0.00 C ATOM 239 CG LYS A 16 3.115 8.255 -14.234 1.00 0.00 C ATOM 240 CD LYS A 16 4.119 7.132 -14.030 1.00 0.00 C ATOM 241 CE LYS A 16 5.305 7.268 -14.971 1.00 0.00 C ATOM 242 NZ LYS A 16 6.367 6.267 -14.674 1.00 0.00 N ATOM 0 H LYS A 16 2.837 8.299 -10.503 1.00 0.00 H new ATOM 0 HA LYS A 16 4.473 9.411 -12.407 1.00 0.00 H new ATOM 0 HB2 LYS A 16 2.212 7.822 -12.344 1.00 0.00 H new ATOM 0 HB3 LYS A 16 1.597 9.268 -13.119 1.00 0.00 H new ATOM 0 HG2 LYS A 16 2.325 7.921 -14.906 1.00 0.00 H new ATOM 0 HG3 LYS A 16 3.606 9.101 -14.715 1.00 0.00 H new ATOM 0 HD2 LYS A 16 4.469 7.139 -12.998 1.00 0.00 H new ATOM 0 HD3 LYS A 16 3.631 6.171 -14.195 1.00 0.00 H new ATOM 0 HE2 LYS A 16 4.968 7.145 -16.000 1.00 0.00 H new ATOM 0 HE3 LYS A 16 5.720 8.273 -14.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 7.158 6.393 -15.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 6.707 6.400 -13.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 5.978 5.308 -14.777 1.00 0.00 H new ATOM 256 N ALA A 17 1.982 11.446 -11.631 1.00 0.00 N ATOM 257 CA ALA A 17 1.532 12.833 -11.711 1.00 0.00 C ATOM 258 C ALA A 17 2.651 13.813 -11.360 1.00 0.00 C ATOM 259 O ALA A 17 2.987 14.690 -12.155 1.00 0.00 O ATOM 260 CB ALA A 17 0.337 13.050 -10.795 1.00 0.00 C ATOM 0 H ALA A 17 1.372 10.837 -11.086 1.00 0.00 H new ATOM 0 HA ALA A 17 1.236 13.026 -12.742 1.00 0.00 H new ATOM 0 HB1 ALA A 17 0.010 14.088 -10.863 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -0.478 12.392 -11.098 1.00 0.00 H new ATOM 0 HB3 ALA A 17 0.621 12.826 -9.767 1.00 0.00 H new ATOM 266 N LYS A 18 3.222 13.663 -10.167 1.00 0.00 N ATOM 267 CA LYS A 18 4.299 14.546 -9.722 1.00 0.00 C ATOM 268 C LYS A 18 5.442 13.753 -9.091 1.00 0.00 C ATOM 269 O LYS A 18 6.474 13.528 -9.723 1.00 0.00 O ATOM 270 CB LYS A 18 3.762 15.573 -8.724 1.00 0.00 C ATOM 271 CG LYS A 18 3.030 16.734 -9.380 1.00 0.00 C ATOM 272 CD LYS A 18 1.536 16.682 -9.102 1.00 0.00 C ATOM 273 CE LYS A 18 0.738 17.321 -10.227 1.00 0.00 C ATOM 274 NZ LYS A 18 -0.648 16.782 -10.301 1.00 0.00 N ATOM 0 H LYS A 18 2.959 12.943 -9.494 1.00 0.00 H new ATOM 0 HA LYS A 18 4.689 15.065 -10.597 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.086 15.074 -8.030 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.592 15.964 -8.135 1.00 0.00 H new ATOM 0 HG2 LYS A 18 3.437 17.676 -9.012 1.00 0.00 H new ATOM 0 HG3 LYS A 18 3.201 16.712 -10.456 1.00 0.00 H new ATOM 0 HD2 LYS A 18 1.224 15.645 -8.976 1.00 0.00 H new ATOM 0 HD3 LYS A 18 1.321 17.195 -8.165 1.00 0.00 H new ATOM 0 HE2 LYS A 18 0.700 18.400 -10.078 1.00 0.00 H new ATOM 0 HE3 LYS A 18 1.246 17.148 -11.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -0.817 16.389 -11.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -0.768 16.034 -9.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -1.328 17.547 -10.117 1.00 0.00 H new ATOM 288 N TYR A 19 5.249 13.335 -7.840 1.00 0.00 N ATOM 289 CA TYR A 19 6.255 12.567 -7.108 1.00 0.00 C ATOM 290 C TYR A 19 6.910 11.524 -8.006 1.00 0.00 C ATOM 291 O TYR A 19 6.316 10.496 -8.326 1.00 0.00 O ATOM 292 CB TYR A 19 5.625 11.892 -5.889 1.00 0.00 C ATOM 293 CG TYR A 19 4.757 12.815 -5.063 1.00 0.00 C ATOM 294 CD1 TYR A 19 5.317 13.660 -4.113 1.00 0.00 C ATOM 295 CD2 TYR A 19 3.377 12.841 -5.231 1.00 0.00 C ATOM 296 CE1 TYR A 19 4.528 14.505 -3.355 1.00 0.00 C ATOM 297 CE2 TYR A 19 2.582 13.683 -4.477 1.00 0.00 C ATOM 298 CZ TYR A 19 3.162 14.512 -3.541 1.00 0.00 C ATOM 299 OH TYR A 19 2.373 15.351 -2.787 1.00 0.00 O ATOM 0 H TYR A 19 4.397 13.518 -7.309 1.00 0.00 H new ATOM 0 HA TYR A 19 7.027 13.259 -6.771 1.00 0.00 H new ATOM 0 HB2 TYR A 19 5.025 11.046 -6.223 1.00 0.00 H new ATOM 0 HB3 TYR A 19 6.417 11.491 -5.257 1.00 0.00 H new ATOM 0 HD1 TYR A 19 6.387 13.657 -3.964 1.00 0.00 H new ATOM 0 HD2 TYR A 19 2.919 12.192 -5.963 1.00 0.00 H new ATOM 0 HE1 TYR A 19 4.979 15.156 -2.621 1.00 0.00 H new ATOM 0 HE2 TYR A 19 1.512 13.691 -4.620 1.00 0.00 H new ATOM 0 HH TYR A 19 1.434 15.234 -3.042 1.00 0.00 H new ATOM 309 N ASP A 20 8.131 11.812 -8.424 1.00 0.00 N ATOM 310 CA ASP A 20 8.871 10.914 -9.303 1.00 0.00 C ATOM 311 C ASP A 20 9.330 9.671 -8.553 1.00 0.00 C ATOM 312 O ASP A 20 10.005 9.765 -7.525 1.00 0.00 O ATOM 313 CB ASP A 20 10.078 11.636 -9.904 1.00 0.00 C ATOM 314 CG ASP A 20 9.746 12.326 -11.213 1.00 0.00 C ATOM 315 OD1 ASP A 20 8.667 12.949 -11.298 1.00 0.00 O ATOM 316 OD2 ASP A 20 10.565 12.243 -12.152 1.00 0.00 O ATOM 0 H ASP A 20 8.634 12.662 -8.170 1.00 0.00 H new ATOM 0 HA ASP A 20 8.204 10.603 -10.107 1.00 0.00 H new ATOM 0 HB2 ASP A 20 10.449 12.373 -9.192 1.00 0.00 H new ATOM 0 HB3 ASP A 20 10.882 10.919 -10.068 1.00 0.00 H new ATOM 321 N ILE A 21 8.955 8.509 -9.079 1.00 0.00 N ATOM 322 CA ILE A 21 9.314 7.234 -8.471 1.00 0.00 C ATOM 323 C ILE A 21 10.779 6.884 -8.722 1.00 0.00 C ATOM 324 O ILE A 21 11.253 6.932 -9.856 1.00 0.00 O ATOM 325 CB ILE A 21 8.428 6.094 -9.014 1.00 0.00 C ATOM 326 CG1 ILE A 21 6.948 6.431 -8.816 1.00 0.00 C ATOM 327 CG2 ILE A 21 8.772 4.777 -8.332 1.00 0.00 C ATOM 328 CD1 ILE A 21 6.009 5.419 -9.437 1.00 0.00 C ATOM 0 H ILE A 21 8.399 8.425 -9.930 1.00 0.00 H new ATOM 0 HA ILE A 21 9.155 7.341 -7.398 1.00 0.00 H new ATOM 0 HB ILE A 21 8.619 5.986 -10.082 1.00 0.00 H new ATOM 0 HG12 ILE A 21 6.739 6.501 -7.748 1.00 0.00 H new ATOM 0 HG13 ILE A 21 6.747 7.413 -9.245 1.00 0.00 H new ATOM 0 HG21 ILE A 21 8.136 3.985 -8.728 1.00 0.00 H new ATOM 0 HG22 ILE A 21 9.817 4.532 -8.520 1.00 0.00 H new ATOM 0 HG23 ILE A 21 8.609 4.870 -7.258 1.00 0.00 H new ATOM 0 HD11 ILE A 21 4.977 5.722 -9.258 1.00 0.00 H new ATOM 0 HD12 ILE A 21 6.190 5.366 -10.511 1.00 0.00 H new ATOM 0 HD13 ILE A 21 6.183 4.440 -8.991 1.00 0.00 H new ATOM 340 N LEU A 22 11.485 6.517 -7.656 1.00 0.00 N ATOM 341 CA LEU A 22 12.893 6.142 -7.761 1.00 0.00 C ATOM 342 C LEU A 22 13.046 4.622 -7.700 1.00 0.00 C ATOM 343 O LEU A 22 13.130 3.956 -8.731 1.00 0.00 O ATOM 344 CB LEU A 22 13.708 6.806 -6.647 1.00 0.00 C ATOM 345 CG LEU A 22 13.914 8.312 -6.805 1.00 0.00 C ATOM 346 CD1 LEU A 22 14.663 8.875 -5.608 1.00 0.00 C ATOM 347 CD2 LEU A 22 14.662 8.615 -8.094 1.00 0.00 C ATOM 0 H LEU A 22 11.106 6.471 -6.710 1.00 0.00 H new ATOM 0 HA LEU A 22 13.273 6.490 -8.722 1.00 0.00 H new ATOM 0 HB2 LEU A 22 13.211 6.621 -5.695 1.00 0.00 H new ATOM 0 HB3 LEU A 22 14.685 6.325 -6.596 1.00 0.00 H new ATOM 0 HG LEU A 22 12.936 8.791 -6.855 1.00 0.00 H new ATOM 0 HD11 LEU A 22 14.801 9.948 -5.737 1.00 0.00 H new ATOM 0 HD12 LEU A 22 14.089 8.690 -4.700 1.00 0.00 H new ATOM 0 HD13 LEU A 22 15.636 8.391 -5.527 1.00 0.00 H new ATOM 0 HD21 LEU A 22 14.800 9.692 -8.190 1.00 0.00 H new ATOM 0 HD22 LEU A 22 15.635 8.125 -8.074 1.00 0.00 H new ATOM 0 HD23 LEU A 22 14.088 8.245 -8.943 1.00 0.00 H new ATOM 359 N GLU A 23 13.063 4.077 -6.484 1.00 0.00 N ATOM 360 CA GLU A 23 13.183 2.636 -6.289 1.00 0.00 C ATOM 361 C GLU A 23 11.862 2.075 -5.779 1.00 0.00 C ATOM 362 O GLU A 23 11.034 2.818 -5.260 1.00 0.00 O ATOM 363 CB GLU A 23 14.307 2.320 -5.300 1.00 0.00 C ATOM 364 CG GLU A 23 15.698 2.570 -5.862 1.00 0.00 C ATOM 365 CD GLU A 23 16.379 3.765 -5.222 1.00 0.00 C ATOM 366 OE1 GLU A 23 16.120 4.027 -4.028 1.00 0.00 O ATOM 367 OE2 GLU A 23 17.170 4.438 -5.916 1.00 0.00 O ATOM 0 H GLU A 23 12.995 4.614 -5.619 1.00 0.00 H new ATOM 0 HA GLU A 23 13.425 2.171 -7.244 1.00 0.00 H new ATOM 0 HB2 GLU A 23 14.172 2.925 -4.403 1.00 0.00 H new ATOM 0 HB3 GLU A 23 14.229 1.276 -4.995 1.00 0.00 H new ATOM 0 HG2 GLU A 23 16.312 1.682 -5.711 1.00 0.00 H new ATOM 0 HG3 GLU A 23 15.628 2.729 -6.938 1.00 0.00 H new ATOM 374 N THR A 24 11.653 0.771 -5.933 1.00 0.00 N ATOM 375 CA THR A 24 10.406 0.158 -5.484 1.00 0.00 C ATOM 376 C THR A 24 10.640 -1.184 -4.793 1.00 0.00 C ATOM 377 O THR A 24 11.702 -1.792 -4.926 1.00 0.00 O ATOM 378 CB THR A 24 9.460 -0.030 -6.670 1.00 0.00 C ATOM 379 OG1 THR A 24 10.000 -0.949 -7.601 1.00 0.00 O ATOM 380 CG2 THR A 24 9.170 1.258 -7.411 1.00 0.00 C ATOM 0 H THR A 24 12.319 0.126 -6.358 1.00 0.00 H new ATOM 0 HA THR A 24 9.957 0.831 -4.754 1.00 0.00 H new ATOM 0 HB THR A 24 8.529 -0.403 -6.243 1.00 0.00 H new ATOM 0 HG1 THR A 24 9.379 -1.057 -8.352 1.00 0.00 H new ATOM 0 HG21 THR A 24 8.493 1.056 -8.241 1.00 0.00 H new ATOM 0 HG22 THR A 24 8.707 1.973 -6.731 1.00 0.00 H new ATOM 0 HG23 THR A 24 10.101 1.674 -7.796 1.00 0.00 H new ATOM 388 N TYR A 25 9.623 -1.641 -4.064 1.00 0.00 N ATOM 389 CA TYR A 25 9.685 -2.917 -3.358 1.00 0.00 C ATOM 390 C TYR A 25 8.325 -3.611 -3.413 1.00 0.00 C ATOM 391 O TYR A 25 7.353 -3.046 -3.920 1.00 0.00 O ATOM 392 CB TYR A 25 10.134 -2.723 -1.908 1.00 0.00 C ATOM 393 CG TYR A 25 9.284 -1.752 -1.119 1.00 0.00 C ATOM 394 CD1 TYR A 25 9.398 -0.382 -1.314 1.00 0.00 C ATOM 395 CD2 TYR A 25 8.375 -2.209 -0.174 1.00 0.00 C ATOM 396 CE1 TYR A 25 8.629 0.506 -0.588 1.00 0.00 C ATOM 397 CE2 TYR A 25 7.604 -1.326 0.557 1.00 0.00 C ATOM 398 CZ TYR A 25 7.734 0.029 0.346 1.00 0.00 C ATOM 399 OH TYR A 25 6.969 0.909 1.075 1.00 0.00 O ATOM 0 H TYR A 25 8.741 -1.142 -3.947 1.00 0.00 H new ATOM 0 HA TYR A 25 10.423 -3.548 -3.852 1.00 0.00 H new ATOM 0 HB2 TYR A 25 10.124 -3.690 -1.404 1.00 0.00 H new ATOM 0 HB3 TYR A 25 11.166 -2.372 -1.903 1.00 0.00 H new ATOM 0 HD1 TYR A 25 10.099 -0.005 -2.044 1.00 0.00 H new ATOM 0 HD2 TYR A 25 8.269 -3.271 -0.008 1.00 0.00 H new ATOM 0 HE1 TYR A 25 8.728 1.569 -0.751 1.00 0.00 H new ATOM 0 HE2 TYR A 25 6.903 -1.696 1.290 1.00 0.00 H new ATOM 0 HH TYR A 25 6.390 0.409 1.688 1.00 0.00 H new ATOM 409 N GLU A 26 8.253 -4.836 -2.898 1.00 0.00 N ATOM 410 CA GLU A 26 7.003 -5.588 -2.916 1.00 0.00 C ATOM 411 C GLU A 26 6.690 -6.181 -1.550 1.00 0.00 C ATOM 412 O GLU A 26 7.589 -6.588 -0.819 1.00 0.00 O ATOM 413 CB GLU A 26 7.075 -6.705 -3.959 1.00 0.00 C ATOM 414 CG GLU A 26 7.328 -6.203 -5.371 1.00 0.00 C ATOM 415 CD GLU A 26 8.805 -6.104 -5.698 1.00 0.00 C ATOM 416 OE1 GLU A 26 9.390 -7.122 -6.122 1.00 0.00 O ATOM 417 OE2 GLU A 26 9.378 -5.006 -5.529 1.00 0.00 O ATOM 0 H GLU A 26 9.038 -5.325 -2.467 1.00 0.00 H new ATOM 0 HA GLU A 26 6.203 -4.895 -3.178 1.00 0.00 H new ATOM 0 HB2 GLU A 26 7.868 -7.399 -3.682 1.00 0.00 H new ATOM 0 HB3 GLU A 26 6.141 -7.266 -3.944 1.00 0.00 H new ATOM 0 HG2 GLU A 26 6.846 -6.873 -6.083 1.00 0.00 H new ATOM 0 HG3 GLU A 26 6.866 -5.223 -5.493 1.00 0.00 H new ATOM 424 N ALA A 27 5.406 -6.231 -1.219 1.00 0.00 N ATOM 425 CA ALA A 27 4.969 -6.783 0.056 1.00 0.00 C ATOM 426 C ALA A 27 3.773 -7.711 -0.133 1.00 0.00 C ATOM 427 O ALA A 27 3.032 -7.591 -1.107 1.00 0.00 O ATOM 428 CB ALA A 27 4.627 -5.664 1.025 1.00 0.00 C ATOM 0 H ALA A 27 4.650 -5.896 -1.816 1.00 0.00 H new ATOM 0 HA ALA A 27 5.788 -7.369 0.473 1.00 0.00 H new ATOM 0 HB1 ALA A 27 4.302 -6.091 1.974 1.00 0.00 H new ATOM 0 HB2 ALA A 27 5.508 -5.043 1.189 1.00 0.00 H new ATOM 0 HB3 ALA A 27 3.826 -5.054 0.608 1.00 0.00 H new ATOM 434 N GLY A 28 3.592 -8.636 0.803 1.00 0.00 N ATOM 435 CA GLY A 28 2.482 -9.568 0.715 1.00 0.00 C ATOM 436 C GLY A 28 1.595 -9.532 1.944 1.00 0.00 C ATOM 437 O GLY A 28 2.070 -9.714 3.065 1.00 0.00 O ATOM 0 H GLY A 28 4.192 -8.758 1.619 1.00 0.00 H new ATOM 0 HA2 GLY A 28 1.885 -9.335 -0.167 1.00 0.00 H new ATOM 0 HA3 GLY A 28 2.869 -10.578 0.580 1.00 0.00 H new ATOM 441 N ILE A 29 0.306 -9.297 1.734 1.00 0.00 N ATOM 442 CA ILE A 29 -0.650 -9.238 2.832 1.00 0.00 C ATOM 443 C ILE A 29 -1.120 -10.637 3.224 1.00 0.00 C ATOM 444 O ILE A 29 -1.264 -11.514 2.372 1.00 0.00 O ATOM 445 CB ILE A 29 -1.869 -8.376 2.459 1.00 0.00 C ATOM 446 CG1 ILE A 29 -1.416 -7.022 1.910 1.00 0.00 C ATOM 447 CG2 ILE A 29 -2.783 -8.190 3.662 1.00 0.00 C ATOM 448 CD1 ILE A 29 -2.537 -6.212 1.296 1.00 0.00 C ATOM 0 H ILE A 29 -0.102 -9.144 0.812 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.140 -8.783 3.681 1.00 0.00 H new ATOM 0 HB ILE A 29 -2.432 -8.892 1.681 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -0.962 -6.446 2.716 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -0.643 -7.184 1.159 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -3.639 -7.578 3.378 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -3.132 -9.163 4.008 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -2.234 -7.696 4.463 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.142 -5.265 0.928 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -2.977 -6.768 0.468 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -3.301 -6.019 2.049 1.00 0.00 H new ATOM 460 N VAL A 30 -1.350 -10.843 4.519 1.00 0.00 N ATOM 461 CA VAL A 30 -1.795 -12.142 5.021 1.00 0.00 C ATOM 462 C VAL A 30 -3.302 -12.166 5.281 1.00 0.00 C ATOM 463 O VAL A 30 -3.865 -13.214 5.597 1.00 0.00 O ATOM 464 CB VAL A 30 -1.060 -12.525 6.317 1.00 0.00 C ATOM 465 CG1 VAL A 30 0.387 -12.895 6.026 1.00 0.00 C ATOM 466 CG2 VAL A 30 -1.135 -11.391 7.329 1.00 0.00 C ATOM 0 H VAL A 30 -1.236 -10.129 5.239 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.559 -12.868 4.243 1.00 0.00 H new ATOM 0 HB VAL A 30 -1.553 -13.398 6.745 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.888 -13.162 6.956 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.415 -13.743 5.342 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.896 -12.045 5.571 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -0.610 -11.680 8.239 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.671 -10.498 6.910 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -2.179 -11.181 7.564 1.00 0.00 H new ATOM 476 N LEU A 31 -3.952 -11.014 5.142 1.00 0.00 N ATOM 477 CA LEU A 31 -5.391 -10.916 5.357 1.00 0.00 C ATOM 478 C LEU A 31 -5.771 -11.296 6.784 1.00 0.00 C ATOM 479 O LEU A 31 -4.937 -11.762 7.560 1.00 0.00 O ATOM 480 CB LEU A 31 -6.131 -11.812 4.368 1.00 0.00 C ATOM 481 CG LEU A 31 -6.289 -11.224 2.967 1.00 0.00 C ATOM 482 CD1 LEU A 31 -5.287 -11.848 2.008 1.00 0.00 C ATOM 483 CD2 LEU A 31 -7.710 -11.422 2.466 1.00 0.00 C ATOM 0 H LEU A 31 -3.504 -10.135 4.881 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.681 -9.878 5.196 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.600 -12.761 4.291 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.121 -12.032 4.768 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.089 -10.154 3.017 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.416 -11.416 1.016 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.275 -11.651 2.361 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.452 -12.924 1.959 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -7.806 -10.998 1.467 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -7.938 -12.487 2.431 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -8.406 -10.923 3.140 1.00 0.00 H new ATOM 495 N LYS A 32 -7.043 -11.093 7.119 1.00 0.00 N ATOM 496 CA LYS A 32 -7.547 -11.415 8.449 1.00 0.00 C ATOM 497 C LYS A 32 -8.977 -11.952 8.386 1.00 0.00 C ATOM 498 O LYS A 32 -9.673 -12.000 9.401 1.00 0.00 O ATOM 499 CB LYS A 32 -7.491 -10.179 9.349 1.00 0.00 C ATOM 500 CG LYS A 32 -6.076 -9.728 9.677 1.00 0.00 C ATOM 501 CD LYS A 32 -5.907 -9.442 11.160 1.00 0.00 C ATOM 502 CE LYS A 32 -4.527 -9.850 11.652 1.00 0.00 C ATOM 503 NZ LYS A 32 -4.244 -9.325 13.016 1.00 0.00 N ATOM 0 H LYS A 32 -7.743 -10.706 6.486 1.00 0.00 H new ATOM 0 HA LYS A 32 -6.911 -12.194 8.869 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -8.020 -9.360 8.861 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -8.020 -10.392 10.278 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -5.368 -10.499 9.372 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -5.838 -8.832 9.104 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -6.062 -8.379 11.347 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -6.669 -9.979 11.724 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -4.451 -10.937 11.659 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -3.771 -9.482 10.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -3.294 -9.626 13.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -4.291 -8.286 13.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -4.950 -9.696 13.684 1.00 0.00 H new ATOM 517 N GLY A 33 -9.411 -12.363 7.195 1.00 0.00 N ATOM 518 CA GLY A 33 -10.752 -12.897 7.039 1.00 0.00 C ATOM 519 C GLY A 33 -11.680 -11.965 6.278 1.00 0.00 C ATOM 520 O GLY A 33 -11.827 -12.083 5.061 1.00 0.00 O ATOM 0 H GLY A 33 -8.858 -12.335 6.338 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -10.698 -13.852 6.517 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -11.174 -13.096 8.024 1.00 0.00 H new ATOM 524 N SER A 34 -12.314 -11.044 6.999 1.00 0.00 N ATOM 525 CA SER A 34 -13.243 -10.091 6.395 1.00 0.00 C ATOM 526 C SER A 34 -12.645 -9.426 5.157 1.00 0.00 C ATOM 527 O SER A 34 -13.370 -9.001 4.257 1.00 0.00 O ATOM 528 CB SER A 34 -13.643 -9.025 7.418 1.00 0.00 C ATOM 529 OG SER A 34 -15.006 -9.156 7.785 1.00 0.00 O ATOM 0 H SER A 34 -12.201 -10.937 8.007 1.00 0.00 H new ATOM 0 HA SER A 34 -14.128 -10.645 6.082 1.00 0.00 H new ATOM 0 HB2 SER A 34 -13.014 -9.113 8.304 1.00 0.00 H new ATOM 0 HB3 SER A 34 -13.469 -8.033 7.001 1.00 0.00 H new ATOM 0 HG SER A 34 -15.236 -8.465 8.440 1.00 0.00 H new ATOM 535 N GLU A 35 -11.320 -9.338 5.117 1.00 0.00 N ATOM 536 CA GLU A 35 -10.624 -8.723 3.992 1.00 0.00 C ATOM 537 C GLU A 35 -11.024 -9.373 2.668 1.00 0.00 C ATOM 538 O GLU A 35 -11.345 -8.682 1.702 1.00 0.00 O ATOM 539 CB GLU A 35 -9.110 -8.825 4.187 1.00 0.00 C ATOM 540 CG GLU A 35 -8.559 -7.827 5.192 1.00 0.00 C ATOM 541 CD GLU A 35 -8.583 -6.403 4.673 1.00 0.00 C ATOM 542 OE1 GLU A 35 -9.613 -5.721 4.857 1.00 0.00 O ATOM 543 OE2 GLU A 35 -7.572 -5.968 4.083 1.00 0.00 O ATOM 0 H GLU A 35 -10.705 -9.686 5.853 1.00 0.00 H new ATOM 0 HA GLU A 35 -10.912 -7.672 3.955 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -8.861 -9.834 4.515 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -8.617 -8.672 3.227 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -9.141 -7.884 6.112 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -7.535 -8.100 5.445 1.00 0.00 H new ATOM 550 N VAL A 36 -10.985 -10.702 2.632 1.00 0.00 N ATOM 551 CA VAL A 36 -11.321 -11.460 1.427 1.00 0.00 C ATOM 552 C VAL A 36 -12.642 -11.011 0.802 1.00 0.00 C ATOM 553 O VAL A 36 -12.682 -10.625 -0.366 1.00 0.00 O ATOM 554 CB VAL A 36 -11.415 -12.973 1.727 1.00 0.00 C ATOM 555 CG1 VAL A 36 -11.696 -13.758 0.455 1.00 0.00 C ATOM 556 CG2 VAL A 36 -10.140 -13.470 2.391 1.00 0.00 C ATOM 0 H VAL A 36 -10.722 -11.281 3.429 1.00 0.00 H new ATOM 0 HA VAL A 36 -10.514 -11.266 0.720 1.00 0.00 H new ATOM 0 HB VAL A 36 -12.244 -13.131 2.417 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -11.758 -14.821 0.689 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -12.640 -13.426 0.024 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -10.891 -13.591 -0.261 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -10.228 -14.537 2.594 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -9.292 -13.295 1.728 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -9.985 -12.935 3.328 1.00 0.00 H new ATOM 566 N LYS A 37 -13.722 -11.097 1.568 1.00 0.00 N ATOM 567 CA LYS A 37 -15.046 -10.733 1.067 1.00 0.00 C ATOM 568 C LYS A 37 -15.209 -9.233 0.844 1.00 0.00 C ATOM 569 O LYS A 37 -15.673 -8.809 -0.215 1.00 0.00 O ATOM 570 CB LYS A 37 -16.131 -11.235 2.024 1.00 0.00 C ATOM 571 CG LYS A 37 -16.465 -12.706 1.845 1.00 0.00 C ATOM 572 CD LYS A 37 -17.465 -12.916 0.719 1.00 0.00 C ATOM 573 CE LYS A 37 -17.887 -14.373 0.613 1.00 0.00 C ATOM 574 NZ LYS A 37 -18.913 -14.734 1.631 1.00 0.00 N ATOM 0 H LYS A 37 -13.710 -11.415 2.537 1.00 0.00 H new ATOM 0 HA LYS A 37 -15.153 -11.214 0.095 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -15.805 -11.067 3.050 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -17.035 -10.645 1.877 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -15.553 -13.264 1.632 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -16.873 -13.104 2.774 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -18.343 -12.293 0.890 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -17.025 -12.594 -0.225 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -18.283 -14.564 -0.384 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -17.013 -15.013 0.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -19.172 -15.735 1.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -18.527 -14.577 2.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -19.757 -14.142 1.498 1.00 0.00 H new ATOM 588 N SER A 38 -14.852 -8.427 1.835 1.00 0.00 N ATOM 589 CA SER A 38 -14.994 -6.977 1.721 1.00 0.00 C ATOM 590 C SER A 38 -14.398 -6.454 0.414 1.00 0.00 C ATOM 591 O SER A 38 -15.069 -5.763 -0.360 1.00 0.00 O ATOM 592 CB SER A 38 -14.323 -6.285 2.910 1.00 0.00 C ATOM 593 OG SER A 38 -15.085 -6.452 4.092 1.00 0.00 O ATOM 0 H SER A 38 -14.464 -8.747 2.722 1.00 0.00 H new ATOM 0 HA SER A 38 -16.060 -6.749 1.721 1.00 0.00 H new ATOM 0 HB2 SER A 38 -13.324 -6.695 3.057 1.00 0.00 H new ATOM 0 HB3 SER A 38 -14.204 -5.223 2.697 1.00 0.00 H new ATOM 0 HG SER A 38 -14.831 -7.292 4.529 1.00 0.00 H new ATOM 599 N LEU A 39 -13.136 -6.785 0.175 1.00 0.00 N ATOM 600 CA LEU A 39 -12.442 -6.346 -1.030 1.00 0.00 C ATOM 601 C LEU A 39 -13.000 -7.017 -2.286 1.00 0.00 C ATOM 602 O LEU A 39 -13.280 -6.340 -3.278 1.00 0.00 O ATOM 603 CB LEU A 39 -10.943 -6.614 -0.910 1.00 0.00 C ATOM 604 CG LEU A 39 -10.224 -5.799 0.168 1.00 0.00 C ATOM 605 CD1 LEU A 39 -8.824 -6.345 0.403 1.00 0.00 C ATOM 606 CD2 LEU A 39 -10.168 -4.330 -0.223 1.00 0.00 C ATOM 0 H LEU A 39 -12.570 -7.358 0.801 1.00 0.00 H new ATOM 0 HA LEU A 39 -12.607 -5.273 -1.128 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -10.794 -7.674 -0.703 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -10.474 -6.409 -1.872 1.00 0.00 H new ATOM 0 HG LEU A 39 -10.786 -5.885 1.098 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -8.327 -5.754 1.172 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -8.888 -7.383 0.728 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -8.252 -6.290 -0.523 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -9.654 -3.766 0.555 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -9.629 -4.224 -1.165 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -11.181 -3.946 -0.340 1.00 0.00 H new ATOM 618 N ARG A 40 -13.151 -8.342 -2.251 1.00 0.00 N ATOM 619 CA ARG A 40 -13.664 -9.084 -3.403 1.00 0.00 C ATOM 620 C ARG A 40 -14.941 -8.442 -3.939 1.00 0.00 C ATOM 621 O ARG A 40 -15.071 -8.194 -5.139 1.00 0.00 O ATOM 622 CB ARG A 40 -13.945 -10.540 -3.018 1.00 0.00 C ATOM 623 CG ARG A 40 -12.776 -11.477 -3.273 1.00 0.00 C ATOM 624 CD ARG A 40 -13.251 -12.869 -3.660 1.00 0.00 C ATOM 625 NE ARG A 40 -12.154 -13.709 -4.132 1.00 0.00 N ATOM 626 CZ ARG A 40 -12.216 -15.036 -4.209 1.00 0.00 C ATOM 627 NH1 ARG A 40 -13.320 -15.678 -3.845 1.00 0.00 N ATOM 628 NH2 ARG A 40 -11.173 -15.725 -4.652 1.00 0.00 N ATOM 0 H ARG A 40 -12.927 -8.921 -1.442 1.00 0.00 H new ATOM 0 HA ARG A 40 -12.904 -9.058 -4.184 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -14.209 -10.582 -1.961 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -14.811 -10.894 -3.577 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -12.150 -11.071 -4.068 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -12.156 -11.539 -2.379 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -13.726 -13.342 -2.801 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -14.009 -12.790 -4.440 1.00 0.00 H new ATOM 0 HE ARG A 40 -11.289 -13.252 -4.420 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -14.126 -15.154 -3.504 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -13.362 -16.695 -3.906 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -10.322 -15.238 -4.934 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -11.221 -16.742 -4.711 1.00 0.00 H new ATOM 642 N GLU A 41 -15.881 -8.177 -3.037 1.00 0.00 N ATOM 643 CA GLU A 41 -17.153 -7.566 -3.401 1.00 0.00 C ATOM 644 C GLU A 41 -16.943 -6.252 -4.146 1.00 0.00 C ATOM 645 O GLU A 41 -17.272 -6.140 -5.326 1.00 0.00 O ATOM 646 CB GLU A 41 -18.001 -7.326 -2.151 1.00 0.00 C ATOM 647 CG GLU A 41 -18.837 -8.528 -1.742 1.00 0.00 C ATOM 648 CD GLU A 41 -18.862 -8.737 -0.241 1.00 0.00 C ATOM 649 OE1 GLU A 41 -18.686 -7.747 0.500 1.00 0.00 O ATOM 650 OE2 GLU A 41 -19.058 -9.892 0.195 1.00 0.00 O ATOM 0 H GLU A 41 -15.783 -8.378 -2.042 1.00 0.00 H new ATOM 0 HA GLU A 41 -17.676 -8.254 -4.065 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -17.345 -7.052 -1.325 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -18.662 -6.478 -2.328 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -19.857 -8.397 -2.104 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -18.441 -9.422 -2.223 1.00 0.00 H new ATOM 769 N ASP A 49 -5.123 10.518 1.620 1.00 0.00 N ATOM 770 CA ASP A 49 -4.874 10.465 3.056 1.00 0.00 C ATOM 771 C ASP A 49 -4.332 9.099 3.475 1.00 0.00 C ATOM 772 O ASP A 49 -4.343 8.755 4.657 1.00 0.00 O ATOM 773 CB ASP A 49 -6.159 10.779 3.828 1.00 0.00 C ATOM 774 CG ASP A 49 -6.093 12.115 4.541 1.00 0.00 C ATOM 775 OD1 ASP A 49 -5.289 12.973 4.121 1.00 0.00 O ATOM 776 OD2 ASP A 49 -6.845 12.303 5.521 1.00 0.00 O ATOM 0 HA ASP A 49 -4.120 11.216 3.293 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -7.003 10.780 3.138 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -6.344 9.990 4.557 1.00 0.00 H new ATOM 781 N SER A 50 -3.856 8.325 2.504 1.00 0.00 N ATOM 782 CA SER A 50 -3.311 7.001 2.781 1.00 0.00 C ATOM 783 C SER A 50 -1.858 6.902 2.324 1.00 0.00 C ATOM 784 O SER A 50 -1.543 7.164 1.164 1.00 0.00 O ATOM 785 CB SER A 50 -4.150 5.926 2.088 1.00 0.00 C ATOM 786 OG SER A 50 -3.851 5.859 0.705 1.00 0.00 O ATOM 0 H SER A 50 -3.837 8.592 1.520 1.00 0.00 H new ATOM 0 HA SER A 50 -3.345 6.841 3.859 1.00 0.00 H new ATOM 0 HB2 SER A 50 -3.961 4.958 2.551 1.00 0.00 H new ATOM 0 HB3 SER A 50 -5.209 6.143 2.224 1.00 0.00 H new ATOM 0 HG SER A 50 -3.076 6.426 0.510 1.00 0.00 H new ATOM 792 N PHE A 51 -0.977 6.524 3.246 1.00 0.00 N ATOM 793 CA PHE A 51 0.443 6.389 2.941 1.00 0.00 C ATOM 794 C PHE A 51 0.994 5.079 3.493 1.00 0.00 C ATOM 795 O PHE A 51 0.381 4.448 4.353 1.00 0.00 O ATOM 796 CB PHE A 51 1.224 7.570 3.520 1.00 0.00 C ATOM 797 CG PHE A 51 1.028 7.753 4.998 1.00 0.00 C ATOM 798 CD1 PHE A 51 1.669 6.924 5.904 1.00 0.00 C ATOM 799 CD2 PHE A 51 0.202 8.756 5.481 1.00 0.00 C ATOM 800 CE1 PHE A 51 1.492 7.091 7.263 1.00 0.00 C ATOM 801 CE2 PHE A 51 0.020 8.927 6.841 1.00 0.00 C ATOM 802 CZ PHE A 51 0.666 8.095 7.733 1.00 0.00 C ATOM 0 H PHE A 51 -1.223 6.306 4.212 1.00 0.00 H new ATOM 0 HA PHE A 51 0.559 6.383 1.857 1.00 0.00 H new ATOM 0 HB2 PHE A 51 2.285 7.427 3.318 1.00 0.00 H new ATOM 0 HB3 PHE A 51 0.921 8.482 3.006 1.00 0.00 H new ATOM 0 HD1 PHE A 51 2.315 6.137 5.543 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -0.305 9.411 4.788 1.00 0.00 H new ATOM 0 HE1 PHE A 51 1.998 6.438 7.958 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -0.627 9.711 7.205 1.00 0.00 H new ATOM 0 HZ PHE A 51 0.526 8.228 8.796 1.00 0.00 H new ATOM 812 N VAL A 52 2.155 4.674 2.990 1.00 0.00 N ATOM 813 CA VAL A 52 2.789 3.437 3.430 1.00 0.00 C ATOM 814 C VAL A 52 4.223 3.688 3.885 1.00 0.00 C ATOM 815 O VAL A 52 4.989 4.365 3.205 1.00 0.00 O ATOM 816 CB VAL A 52 2.788 2.383 2.304 1.00 0.00 C ATOM 817 CG1 VAL A 52 3.410 1.076 2.775 1.00 0.00 C ATOM 818 CG2 VAL A 52 1.373 2.152 1.798 1.00 0.00 C ATOM 0 H VAL A 52 2.676 5.185 2.277 1.00 0.00 H new ATOM 0 HA VAL A 52 2.210 3.059 4.272 1.00 0.00 H new ATOM 0 HB VAL A 52 3.394 2.764 1.482 1.00 0.00 H new ATOM 0 HG11 VAL A 52 3.396 0.352 1.960 1.00 0.00 H new ATOM 0 HG12 VAL A 52 4.440 1.254 3.084 1.00 0.00 H new ATOM 0 HG13 VAL A 52 2.840 0.685 3.618 1.00 0.00 H new ATOM 0 HG21 VAL A 52 1.388 1.406 1.004 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.747 1.798 2.617 1.00 0.00 H new ATOM 0 HG23 VAL A 52 0.968 3.087 1.410 1.00 0.00 H new ATOM 828 N ARG A 53 4.579 3.132 5.039 1.00 0.00 N ATOM 829 CA ARG A 53 5.922 3.288 5.583 1.00 0.00 C ATOM 830 C ARG A 53 6.508 1.931 5.965 1.00 0.00 C ATOM 831 O ARG A 53 5.801 1.058 6.466 1.00 0.00 O ATOM 832 CB ARG A 53 5.897 4.210 6.803 1.00 0.00 C ATOM 833 CG ARG A 53 5.970 5.687 6.449 1.00 0.00 C ATOM 834 CD ARG A 53 6.334 6.533 7.657 1.00 0.00 C ATOM 835 NE ARG A 53 6.126 7.958 7.410 1.00 0.00 N ATOM 836 CZ ARG A 53 6.040 8.872 8.375 1.00 0.00 C ATOM 837 NH1 ARG A 53 6.145 8.514 9.649 1.00 0.00 N ATOM 838 NH2 ARG A 53 5.851 10.147 8.064 1.00 0.00 N ATOM 0 H ARG A 53 3.954 2.569 5.616 1.00 0.00 H new ATOM 0 HA ARG A 53 6.553 3.736 4.815 1.00 0.00 H new ATOM 0 HB2 ARG A 53 4.984 4.025 7.370 1.00 0.00 H new ATOM 0 HB3 ARG A 53 6.733 3.959 7.455 1.00 0.00 H new ATOM 0 HG2 ARG A 53 6.709 5.837 5.662 1.00 0.00 H new ATOM 0 HG3 ARG A 53 5.010 6.014 6.051 1.00 0.00 H new ATOM 0 HD2 ARG A 53 5.733 6.222 8.512 1.00 0.00 H new ATOM 0 HD3 ARG A 53 7.377 6.359 7.920 1.00 0.00 H new ATOM 0 HE ARG A 53 6.042 8.271 6.443 1.00 0.00 H new ATOM 0 HH11 ARG A 53 6.292 7.535 9.893 1.00 0.00 H new ATOM 0 HH12 ARG A 53 6.078 9.218 10.384 1.00 0.00 H new ATOM 0 HH21 ARG A 53 5.772 10.427 7.086 1.00 0.00 H new ATOM 0 HH22 ARG A 53 5.785 10.848 8.802 1.00 0.00 H new ATOM 852 N ILE A 54 7.804 1.759 5.725 1.00 0.00 N ATOM 853 CA ILE A 54 8.479 0.508 6.044 1.00 0.00 C ATOM 854 C ILE A 54 9.257 0.621 7.350 1.00 0.00 C ATOM 855 O ILE A 54 10.074 1.526 7.522 1.00 0.00 O ATOM 856 CB ILE A 54 9.442 0.078 4.918 1.00 0.00 C ATOM 857 CG1 ILE A 54 10.261 1.271 4.421 1.00 0.00 C ATOM 858 CG2 ILE A 54 8.670 -0.557 3.772 1.00 0.00 C ATOM 859 CD1 ILE A 54 11.326 0.894 3.414 1.00 0.00 C ATOM 0 H ILE A 54 8.407 2.470 5.311 1.00 0.00 H new ATOM 0 HA ILE A 54 7.702 -0.249 6.151 1.00 0.00 H new ATOM 0 HB ILE A 54 10.132 -0.663 5.321 1.00 0.00 H new ATOM 0 HG12 ILE A 54 9.588 2.001 3.971 1.00 0.00 H new ATOM 0 HG13 ILE A 54 10.734 1.757 5.274 1.00 0.00 H new ATOM 0 HG21 ILE A 54 9.364 -0.855 2.986 1.00 0.00 H new ATOM 0 HG22 ILE A 54 8.136 -1.435 4.136 1.00 0.00 H new ATOM 0 HG23 ILE A 54 7.956 0.163 3.372 1.00 0.00 H new ATOM 0 HD11 ILE A 54 11.867 1.788 3.105 1.00 0.00 H new ATOM 0 HD12 ILE A 54 12.021 0.187 3.867 1.00 0.00 H new ATOM 0 HD13 ILE A 54 10.857 0.435 2.544 1.00 0.00 H new ATOM 871 N GLU A 55 8.998 -0.305 8.270 1.00 0.00 N ATOM 872 CA GLU A 55 9.673 -0.307 9.562 1.00 0.00 C ATOM 873 C GLU A 55 10.219 -1.693 9.894 1.00 0.00 C ATOM 874 O GLU A 55 9.745 -2.702 9.370 1.00 0.00 O ATOM 875 CB GLU A 55 8.713 0.154 10.662 1.00 0.00 C ATOM 876 CG GLU A 55 9.323 1.169 11.615 1.00 0.00 C ATOM 877 CD GLU A 55 8.414 1.489 12.785 1.00 0.00 C ATOM 878 OE1 GLU A 55 7.199 1.214 12.686 1.00 0.00 O ATOM 879 OE2 GLU A 55 8.916 2.014 13.801 1.00 0.00 O ATOM 0 H GLU A 55 8.326 -1.062 8.144 1.00 0.00 H new ATOM 0 HA GLU A 55 10.512 0.387 9.505 1.00 0.00 H new ATOM 0 HB2 GLU A 55 7.826 0.588 10.200 1.00 0.00 H new ATOM 0 HB3 GLU A 55 8.383 -0.714 11.232 1.00 0.00 H new ATOM 0 HG2 GLU A 55 10.271 0.785 11.991 1.00 0.00 H new ATOM 0 HG3 GLU A 55 9.544 2.087 11.070 1.00 0.00 H new ATOM 886 N ASN A 56 11.219 -1.732 10.767 1.00 0.00 N ATOM 887 CA ASN A 56 11.835 -2.990 11.175 1.00 0.00 C ATOM 888 C ASN A 56 12.430 -3.722 9.970 1.00 0.00 C ATOM 889 O ASN A 56 13.603 -3.541 9.647 1.00 0.00 O ATOM 890 CB ASN A 56 10.812 -3.873 11.899 1.00 0.00 C ATOM 891 CG ASN A 56 11.374 -5.232 12.269 1.00 0.00 C ATOM 892 OD1 ASN A 56 11.002 -6.251 11.686 1.00 0.00 O ATOM 893 ND2 ASN A 56 12.277 -5.254 13.242 1.00 0.00 N ATOM 0 H ASN A 56 11.622 -0.905 11.207 1.00 0.00 H new ATOM 0 HA ASN A 56 12.648 -2.767 11.866 1.00 0.00 H new ATOM 0 HB2 ASN A 56 10.474 -3.365 12.802 1.00 0.00 H new ATOM 0 HB3 ASN A 56 9.937 -4.007 11.262 1.00 0.00 H new ATOM 0 HD21 ASN A 56 12.691 -6.139 13.533 1.00 0.00 H new ATOM 0 HD22 ASN A 56 12.556 -4.386 13.698 1.00 0.00 H new ATOM 900 N GLY A 57 11.621 -4.550 9.310 1.00 0.00 N ATOM 901 CA GLY A 57 12.105 -5.285 8.156 1.00 0.00 C ATOM 902 C GLY A 57 11.000 -5.712 7.205 1.00 0.00 C ATOM 903 O GLY A 57 11.241 -6.491 6.284 1.00 0.00 O ATOM 0 H GLY A 57 10.646 -4.723 9.553 1.00 0.00 H new ATOM 0 HA2 GLY A 57 12.821 -4.666 7.615 1.00 0.00 H new ATOM 0 HA3 GLY A 57 12.642 -6.170 8.497 1.00 0.00 H new ATOM 907 N GLU A 58 9.789 -5.204 7.414 1.00 0.00 N ATOM 908 CA GLU A 58 8.662 -5.550 6.554 1.00 0.00 C ATOM 909 C GLU A 58 7.890 -4.302 6.140 1.00 0.00 C ATOM 910 O GLU A 58 7.852 -3.315 6.874 1.00 0.00 O ATOM 911 CB GLU A 58 7.730 -6.527 7.274 1.00 0.00 C ATOM 912 CG GLU A 58 8.209 -7.969 7.229 1.00 0.00 C ATOM 913 CD GLU A 58 7.407 -8.879 8.138 1.00 0.00 C ATOM 914 OE1 GLU A 58 6.161 -8.850 8.056 1.00 0.00 O ATOM 915 OE2 GLU A 58 8.025 -9.622 8.930 1.00 0.00 O ATOM 0 H GLU A 58 9.563 -4.555 8.168 1.00 0.00 H new ATOM 0 HA GLU A 58 9.053 -6.026 5.655 1.00 0.00 H new ATOM 0 HB2 GLU A 58 7.628 -6.219 8.315 1.00 0.00 H new ATOM 0 HB3 GLU A 58 6.738 -6.468 6.825 1.00 0.00 H new ATOM 0 HG2 GLU A 58 8.146 -8.337 6.205 1.00 0.00 H new ATOM 0 HG3 GLU A 58 9.259 -8.008 7.517 1.00 0.00 H new ATOM 922 N ALA A 59 7.279 -4.342 4.958 1.00 0.00 N ATOM 923 CA ALA A 59 6.513 -3.205 4.466 1.00 0.00 C ATOM 924 C ALA A 59 5.198 -3.062 5.224 1.00 0.00 C ATOM 925 O ALA A 59 4.401 -3.999 5.286 1.00 0.00 O ATOM 926 CB ALA A 59 6.250 -3.352 2.976 1.00 0.00 C ATOM 0 H ALA A 59 7.300 -5.145 4.329 1.00 0.00 H new ATOM 0 HA ALA A 59 7.100 -2.302 4.633 1.00 0.00 H new ATOM 0 HB1 ALA A 59 5.677 -2.495 2.621 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.199 -3.400 2.442 1.00 0.00 H new ATOM 0 HB3 ALA A 59 5.685 -4.267 2.795 1.00 0.00 H new ATOM 932 N TRP A 60 4.977 -1.882 5.794 1.00 0.00 N ATOM 933 CA TRP A 60 3.758 -1.605 6.547 1.00 0.00 C ATOM 934 C TRP A 60 2.946 -0.514 5.859 1.00 0.00 C ATOM 935 O TRP A 60 3.500 0.490 5.417 1.00 0.00 O ATOM 936 CB TRP A 60 4.104 -1.175 7.974 1.00 0.00 C ATOM 937 CG TRP A 60 3.923 -2.266 8.982 1.00 0.00 C ATOM 938 CD1 TRP A 60 4.898 -3.053 9.521 1.00 0.00 C ATOM 939 CD2 TRP A 60 2.691 -2.689 9.573 1.00 0.00 C ATOM 940 NE1 TRP A 60 4.348 -3.942 10.412 1.00 0.00 N ATOM 941 CE2 TRP A 60 2.993 -3.738 10.462 1.00 0.00 C ATOM 942 CE3 TRP A 60 1.362 -2.283 9.437 1.00 0.00 C ATOM 943 CZ2 TRP A 60 2.013 -4.385 11.210 1.00 0.00 C ATOM 944 CZ3 TRP A 60 0.389 -2.925 10.179 1.00 0.00 C ATOM 945 CH2 TRP A 60 0.718 -3.966 11.057 1.00 0.00 C ATOM 0 H TRP A 60 5.629 -1.099 5.749 1.00 0.00 H new ATOM 0 HA TRP A 60 3.161 -2.516 6.586 1.00 0.00 H new ATOM 0 HB2 TRP A 60 5.138 -0.832 8.002 1.00 0.00 H new ATOM 0 HB3 TRP A 60 3.479 -0.326 8.252 1.00 0.00 H new ATOM 0 HD1 TRP A 60 5.949 -2.987 9.282 1.00 0.00 H new ATOM 0 HE1 TRP A 60 4.863 -4.640 10.949 1.00 0.00 H new ATOM 0 HE3 TRP A 60 1.099 -1.481 8.763 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 2.265 -5.188 11.886 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -0.642 -2.619 10.080 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -0.065 -4.448 11.624 1.00 0.00 H new ATOM 956 N LEU A 61 1.634 -0.712 5.765 1.00 0.00 N ATOM 957 CA LEU A 61 0.768 0.269 5.119 1.00 0.00 C ATOM 958 C LEU A 61 -0.252 0.844 6.096 1.00 0.00 C ATOM 959 O LEU A 61 -0.895 0.110 6.846 1.00 0.00 O ATOM 960 CB LEU A 61 0.050 -0.359 3.922 1.00 0.00 C ATOM 961 CG LEU A 61 -1.021 -1.394 4.272 1.00 0.00 C ATOM 962 CD1 LEU A 61 -2.336 -0.709 4.619 1.00 0.00 C ATOM 963 CD2 LEU A 61 -1.212 -2.372 3.119 1.00 0.00 C ATOM 0 H LEU A 61 1.151 -1.535 6.124 1.00 0.00 H new ATOM 0 HA LEU A 61 1.399 1.086 4.770 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.414 0.437 3.339 1.00 0.00 H new ATOM 0 HB3 LEU A 61 0.793 -0.832 3.281 1.00 0.00 H new ATOM 0 HG LEU A 61 -0.688 -1.953 5.146 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.085 -1.462 4.865 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.189 -0.051 5.475 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.677 -0.123 3.766 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.977 -3.102 3.384 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -1.523 -1.827 2.228 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -0.272 -2.887 2.920 1.00 0.00 H new ATOM 975 N TYR A 62 -0.397 2.167 6.072 1.00 0.00 N ATOM 976 CA TYR A 62 -1.341 2.854 6.945 1.00 0.00 C ATOM 977 C TYR A 62 -2.312 3.695 6.122 1.00 0.00 C ATOM 978 O TYR A 62 -1.897 4.534 5.324 1.00 0.00 O ATOM 979 CB TYR A 62 -0.592 3.741 7.944 1.00 0.00 C ATOM 980 CG TYR A 62 -0.671 3.249 9.372 1.00 0.00 C ATOM 981 CD1 TYR A 62 -1.895 3.101 10.009 1.00 0.00 C ATOM 982 CD2 TYR A 62 0.482 2.936 10.082 1.00 0.00 C ATOM 983 CE1 TYR A 62 -1.970 2.654 11.315 1.00 0.00 C ATOM 984 CE2 TYR A 62 0.414 2.487 11.387 1.00 0.00 C ATOM 985 CZ TYR A 62 -0.813 2.348 11.999 1.00 0.00 C ATOM 986 OH TYR A 62 -0.884 1.903 13.299 1.00 0.00 O ATOM 0 H TYR A 62 0.130 2.785 5.455 1.00 0.00 H new ATOM 0 HA TYR A 62 -1.909 2.105 7.497 1.00 0.00 H new ATOM 0 HB2 TYR A 62 0.455 3.803 7.648 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -0.997 4.752 7.894 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -2.804 3.339 9.476 1.00 0.00 H new ATOM 0 HD2 TYR A 62 1.446 3.045 9.607 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -2.930 2.545 11.797 1.00 0.00 H new ATOM 0 HE2 TYR A 62 1.319 2.246 11.925 1.00 0.00 H new ATOM 0 HH TYR A 62 0.020 1.731 13.636 1.00 0.00 H new ATOM 996 N ASN A 63 -3.605 3.461 6.316 1.00 0.00 N ATOM 997 CA ASN A 63 -4.630 4.196 5.583 1.00 0.00 C ATOM 998 C ASN A 63 -5.525 4.986 6.532 1.00 0.00 C ATOM 999 O ASN A 63 -6.093 4.432 7.473 1.00 0.00 O ATOM 1000 CB ASN A 63 -5.477 3.235 4.749 1.00 0.00 C ATOM 1001 CG ASN A 63 -5.942 2.032 5.546 1.00 0.00 C ATOM 1002 OD1 ASN A 63 -7.106 1.942 5.934 1.00 0.00 O ATOM 1003 ND2 ASN A 63 -5.030 1.098 5.795 1.00 0.00 N ATOM 0 H ASN A 63 -3.968 2.770 6.973 1.00 0.00 H new ATOM 0 HA ASN A 63 -4.128 4.900 4.920 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -6.345 3.766 4.358 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -4.897 2.896 3.890 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -5.284 0.266 6.327 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -4.076 1.213 5.454 1.00 0.00 H new ATOM 1010 N LEU A 64 -5.650 6.284 6.274 1.00 0.00 N ATOM 1011 CA LEU A 64 -6.480 7.150 7.100 1.00 0.00 C ATOM 1012 C LEU A 64 -7.842 7.373 6.450 1.00 0.00 C ATOM 1013 O LEU A 64 -8.839 7.602 7.135 1.00 0.00 O ATOM 1014 CB LEU A 64 -5.785 8.493 7.332 1.00 0.00 C ATOM 1015 CG LEU A 64 -4.380 8.399 7.927 1.00 0.00 C ATOM 1016 CD1 LEU A 64 -3.780 9.787 8.101 1.00 0.00 C ATOM 1017 CD2 LEU A 64 -4.414 7.661 9.257 1.00 0.00 C ATOM 0 H LEU A 64 -5.186 6.758 5.499 1.00 0.00 H new ATOM 0 HA LEU A 64 -6.630 6.659 8.062 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.726 9.023 6.382 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -6.405 9.096 7.996 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.750 7.837 7.237 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.780 9.700 8.526 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.721 10.282 7.132 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -4.409 10.374 8.770 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -3.406 7.603 9.667 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -5.059 8.197 9.954 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.802 6.654 9.104 1.00 0.00 H new ATOM 1029 N TYR A 65 -7.877 7.304 5.121 1.00 0.00 N ATOM 1030 CA TYR A 65 -9.115 7.496 4.377 1.00 0.00 C ATOM 1031 C TYR A 65 -9.530 6.209 3.670 1.00 0.00 C ATOM 1032 O TYR A 65 -8.874 5.766 2.728 1.00 0.00 O ATOM 1033 CB TYR A 65 -8.953 8.622 3.356 1.00 0.00 C ATOM 1034 CG TYR A 65 -10.199 9.458 3.174 1.00 0.00 C ATOM 1035 CD1 TYR A 65 -11.412 8.867 2.838 1.00 0.00 C ATOM 1036 CD2 TYR A 65 -10.165 10.837 3.338 1.00 0.00 C ATOM 1037 CE1 TYR A 65 -12.554 9.628 2.670 1.00 0.00 C ATOM 1038 CE2 TYR A 65 -11.302 11.604 3.172 1.00 0.00 C ATOM 1039 CZ TYR A 65 -12.494 10.995 2.839 1.00 0.00 C ATOM 1040 OH TYR A 65 -13.628 11.755 2.673 1.00 0.00 O ATOM 0 H TYR A 65 -7.061 7.116 4.539 1.00 0.00 H new ATOM 0 HA TYR A 65 -9.896 7.769 5.086 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -8.134 9.269 3.669 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -8.671 8.192 2.395 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -11.463 7.796 2.706 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -9.234 11.318 3.600 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -13.488 9.154 2.408 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -11.258 12.675 3.302 1.00 0.00 H new ATOM 0 HH TYR A 65 -13.415 12.699 2.829 1.00 0.00 H new ATOM 1050 N ILE A 66 -10.623 5.611 4.133 1.00 0.00 N ATOM 1051 CA ILE A 66 -11.126 4.374 3.546 1.00 0.00 C ATOM 1052 C ILE A 66 -12.611 4.487 3.212 1.00 0.00 C ATOM 1053 O ILE A 66 -13.368 5.146 3.924 1.00 0.00 O ATOM 1054 CB ILE A 66 -10.914 3.177 4.492 1.00 0.00 C ATOM 1055 CG1 ILE A 66 -11.595 3.436 5.837 1.00 0.00 C ATOM 1056 CG2 ILE A 66 -9.428 2.913 4.685 1.00 0.00 C ATOM 1057 CD1 ILE A 66 -12.209 2.197 6.451 1.00 0.00 C ATOM 0 H ILE A 66 -11.178 5.963 4.913 1.00 0.00 H new ATOM 0 HA ILE A 66 -10.562 4.207 2.628 1.00 0.00 H new ATOM 0 HB ILE A 66 -11.365 2.292 4.043 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -10.865 3.852 6.531 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -12.372 4.189 5.703 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -9.293 2.064 5.356 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -8.970 2.690 3.721 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -8.955 3.795 5.116 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -12.674 2.455 7.403 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -12.963 1.792 5.776 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -11.433 1.450 6.617 1.00 0.00 H new ATOM 1069 N ALA A 67 -13.018 3.842 2.124 1.00 0.00 N ATOM 1070 CA ALA A 67 -14.411 3.872 1.694 1.00 0.00 C ATOM 1071 C ALA A 67 -15.198 2.699 2.277 1.00 0.00 C ATOM 1072 O ALA A 67 -16.237 2.893 2.907 1.00 0.00 O ATOM 1073 CB ALA A 67 -14.495 3.867 0.175 1.00 0.00 C ATOM 0 H ALA A 67 -12.403 3.292 1.524 1.00 0.00 H new ATOM 0 HA ALA A 67 -14.859 4.792 2.069 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -15.541 3.890 -0.132 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -13.982 4.743 -0.221 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -14.023 2.964 -0.213 1.00 0.00 H new ATOM 1079 N PRO A 68 -14.714 1.461 2.071 1.00 0.00 N ATOM 1080 CA PRO A 68 -15.384 0.258 2.579 1.00 0.00 C ATOM 1081 C PRO A 68 -15.667 0.337 4.076 1.00 0.00 C ATOM 1082 O PRO A 68 -14.873 0.888 4.840 1.00 0.00 O ATOM 1083 CB PRO A 68 -14.383 -0.860 2.283 1.00 0.00 C ATOM 1084 CG PRO A 68 -13.573 -0.354 1.141 1.00 0.00 C ATOM 1085 CD PRO A 68 -13.482 1.135 1.329 1.00 0.00 C ATOM 0 HA PRO A 68 -16.359 0.110 2.114 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -13.756 -1.070 3.150 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -14.892 -1.789 2.026 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -12.582 -0.808 1.133 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -14.044 -0.600 0.189 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -12.590 1.416 1.889 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -13.437 1.659 0.374 1.00 0.00 H new ATOM 1289 N ARG A 81 -7.665 1.803 10.618 1.00 0.00 N ATOM 1290 CA ARG A 81 -7.164 0.437 10.491 1.00 0.00 C ATOM 1291 C ARG A 81 -5.727 0.417 9.975 1.00 0.00 C ATOM 1292 O ARG A 81 -5.117 1.465 9.761 1.00 0.00 O ATOM 1293 CB ARG A 81 -8.066 -0.370 9.556 1.00 0.00 C ATOM 1294 CG ARG A 81 -9.386 -0.782 10.187 1.00 0.00 C ATOM 1295 CD ARG A 81 -9.237 -2.041 11.027 1.00 0.00 C ATOM 1296 NE ARG A 81 -9.961 -3.170 10.452 1.00 0.00 N ATOM 1297 CZ ARG A 81 -10.178 -4.317 11.094 1.00 0.00 C ATOM 1298 NH1 ARG A 81 -9.728 -4.487 12.331 1.00 0.00 N ATOM 1299 NH2 ARG A 81 -10.847 -5.294 10.498 1.00 0.00 N ATOM 0 HA ARG A 81 -7.174 -0.016 11.482 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -8.269 0.220 8.662 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -7.533 -1.264 9.233 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -9.761 0.030 10.811 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -10.126 -0.951 9.405 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -8.181 -2.295 11.116 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -9.605 -1.850 12.035 1.00 0.00 H new ATOM 0 HE ARG A 81 -10.322 -3.075 9.503 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -9.214 -3.738 12.794 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -9.897 -5.367 12.819 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -11.196 -5.168 9.548 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -11.013 -6.172 10.990 1.00 0.00 H new ATOM 1313 N LYS A 82 -5.195 -0.785 9.777 1.00 0.00 N ATOM 1314 CA LYS A 82 -3.832 -0.949 9.284 1.00 0.00 C ATOM 1315 C LYS A 82 -3.615 -2.362 8.753 1.00 0.00 C ATOM 1316 O LYS A 82 -4.280 -3.306 9.183 1.00 0.00 O ATOM 1317 CB LYS A 82 -2.821 -0.645 10.393 1.00 0.00 C ATOM 1318 CG LYS A 82 -3.207 -1.215 11.750 1.00 0.00 C ATOM 1319 CD LYS A 82 -3.267 -0.133 12.816 1.00 0.00 C ATOM 1320 CE LYS A 82 -4.011 -0.610 14.053 1.00 0.00 C ATOM 1321 NZ LYS A 82 -3.822 0.313 15.206 1.00 0.00 N ATOM 0 H LYS A 82 -5.688 -1.661 9.951 1.00 0.00 H new ATOM 0 HA LYS A 82 -3.681 -0.244 8.466 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -1.849 -1.045 10.105 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -2.708 0.435 10.482 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -4.177 -1.707 11.676 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -2.485 -1.976 12.044 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -2.255 0.165 13.091 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -3.760 0.751 12.412 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -5.074 -0.695 13.827 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -3.662 -1.606 14.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -4.345 -0.048 16.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -2.810 0.375 15.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -4.178 1.258 14.956 1.00 0.00 H new ATOM 1335 N ARG A 83 -2.685 -2.502 7.814 1.00 0.00 N ATOM 1336 CA ARG A 83 -2.386 -3.802 7.221 1.00 0.00 C ATOM 1337 C ARG A 83 -0.894 -4.109 7.303 1.00 0.00 C ATOM 1338 O ARG A 83 -0.061 -3.203 7.283 1.00 0.00 O ATOM 1339 CB ARG A 83 -2.844 -3.835 5.762 1.00 0.00 C ATOM 1340 CG ARG A 83 -3.374 -5.189 5.321 1.00 0.00 C ATOM 1341 CD ARG A 83 -4.837 -5.365 5.692 1.00 0.00 C ATOM 1342 NE ARG A 83 -5.007 -5.730 7.096 1.00 0.00 N ATOM 1343 CZ ARG A 83 -6.162 -5.644 7.751 1.00 0.00 C ATOM 1344 NH1 ARG A 83 -7.252 -5.205 7.133 1.00 0.00 N ATOM 1345 NH2 ARG A 83 -6.229 -5.997 9.027 1.00 0.00 N ATOM 0 H ARG A 83 -2.125 -1.732 7.447 1.00 0.00 H new ATOM 0 HA ARG A 83 -2.926 -4.563 7.784 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -3.622 -3.085 5.617 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -2.008 -3.555 5.121 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -3.257 -5.293 4.242 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -2.783 -5.980 5.783 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -5.376 -4.439 5.491 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -5.281 -6.135 5.061 1.00 0.00 H new ATOM 0 HE ARG A 83 -4.191 -6.071 7.605 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -7.207 -4.932 6.151 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -8.135 -5.141 7.640 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -5.395 -6.335 9.507 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -7.115 -5.931 9.529 1.00 0.00 H new ATOM 1359 N LYS A 84 -0.564 -5.394 7.395 1.00 0.00 N ATOM 1360 CA LYS A 84 0.828 -5.822 7.480 1.00 0.00 C ATOM 1361 C LYS A 84 1.220 -6.655 6.263 1.00 0.00 C ATOM 1362 O LYS A 84 0.453 -7.500 5.801 1.00 0.00 O ATOM 1363 CB LYS A 84 1.062 -6.626 8.760 1.00 0.00 C ATOM 1364 CG LYS A 84 0.112 -7.801 8.928 1.00 0.00 C ATOM 1365 CD LYS A 84 0.216 -8.407 10.320 1.00 0.00 C ATOM 1366 CE LYS A 84 0.172 -9.925 10.273 1.00 0.00 C ATOM 1367 NZ LYS A 84 -0.678 -10.491 11.358 1.00 0.00 N ATOM 0 H LYS A 84 -1.241 -6.156 7.413 1.00 0.00 H new ATOM 0 HA LYS A 84 1.453 -4.929 7.502 1.00 0.00 H new ATOM 0 HB2 LYS A 84 2.087 -6.996 8.763 1.00 0.00 H new ATOM 0 HB3 LYS A 84 0.960 -5.962 9.619 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -0.911 -7.471 8.749 1.00 0.00 H new ATOM 0 HG3 LYS A 84 0.337 -8.562 8.181 1.00 0.00 H new ATOM 0 HD2 LYS A 84 1.145 -8.084 10.790 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -0.601 -8.038 10.940 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -0.213 -10.247 9.305 1.00 0.00 H new ATOM 0 HE3 LYS A 84 1.184 -10.320 10.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -0.681 -11.529 11.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -0.297 -10.205 12.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -1.650 -10.134 11.259 1.00 0.00 H new ATOM 1381 N LEU A 85 2.421 -6.407 5.750 1.00 0.00 N ATOM 1382 CA LEU A 85 2.926 -7.126 4.587 1.00 0.00 C ATOM 1383 C LEU A 85 4.375 -7.561 4.811 1.00 0.00 C ATOM 1384 O LEU A 85 5.211 -6.765 5.236 1.00 0.00 O ATOM 1385 CB LEU A 85 2.834 -6.240 3.344 1.00 0.00 C ATOM 1386 CG LEU A 85 1.553 -5.412 3.234 1.00 0.00 C ATOM 1387 CD1 LEU A 85 1.712 -4.085 3.961 1.00 0.00 C ATOM 1388 CD2 LEU A 85 1.194 -5.182 1.775 1.00 0.00 C ATOM 0 H LEU A 85 3.065 -5.710 6.124 1.00 0.00 H new ATOM 0 HA LEU A 85 2.315 -8.016 4.438 1.00 0.00 H new ATOM 0 HB2 LEU A 85 3.688 -5.563 3.335 1.00 0.00 H new ATOM 0 HB3 LEU A 85 2.918 -6.871 2.459 1.00 0.00 H new ATOM 0 HG LEU A 85 0.741 -5.966 3.705 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.791 -3.509 3.872 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.924 -4.270 5.014 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.535 -3.524 3.518 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.280 -4.591 1.714 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.005 -4.648 1.281 1.00 0.00 H new ATOM 0 HD23 LEU A 85 1.039 -6.142 1.283 1.00 0.00 H new ATOM 1400 N LEU A 86 4.663 -8.829 4.528 1.00 0.00 N ATOM 1401 CA LEU A 86 6.009 -9.370 4.706 1.00 0.00 C ATOM 1402 C LEU A 86 6.992 -8.767 3.705 1.00 0.00 C ATOM 1403 O LEU A 86 6.628 -7.906 2.904 1.00 0.00 O ATOM 1404 CB LEU A 86 5.990 -10.893 4.561 1.00 0.00 C ATOM 1405 CG LEU A 86 5.203 -11.636 5.642 1.00 0.00 C ATOM 1406 CD1 LEU A 86 4.426 -12.796 5.037 1.00 0.00 C ATOM 1407 CD2 LEU A 86 6.139 -12.133 6.735 1.00 0.00 C ATOM 0 H LEU A 86 3.983 -9.502 4.174 1.00 0.00 H new ATOM 0 HA LEU A 86 6.342 -9.105 5.709 1.00 0.00 H new ATOM 0 HB2 LEU A 86 5.568 -11.145 3.588 1.00 0.00 H new ATOM 0 HB3 LEU A 86 7.018 -11.256 4.567 1.00 0.00 H new ATOM 0 HG LEU A 86 4.490 -10.941 6.087 1.00 0.00 H new ATOM 0 HD11 LEU A 86 3.873 -13.312 5.822 1.00 0.00 H new ATOM 0 HD12 LEU A 86 3.728 -12.417 4.291 1.00 0.00 H new ATOM 0 HD13 LEU A 86 5.120 -13.492 4.565 1.00 0.00 H new ATOM 0 HD21 LEU A 86 5.563 -12.659 7.496 1.00 0.00 H new ATOM 0 HD22 LEU A 86 6.875 -12.811 6.303 1.00 0.00 H new ATOM 0 HD23 LEU A 86 6.651 -11.285 7.189 1.00 0.00 H new ATOM 1419 N LEU A 87 8.240 -9.228 3.763 1.00 0.00 N ATOM 1420 CA LEU A 87 9.290 -8.743 2.870 1.00 0.00 C ATOM 1421 C LEU A 87 10.510 -9.669 2.929 1.00 0.00 C ATOM 1422 O LEU A 87 10.386 -10.838 3.294 1.00 0.00 O ATOM 1423 CB LEU A 87 9.680 -7.310 3.252 1.00 0.00 C ATOM 1424 CG LEU A 87 9.638 -6.286 2.111 1.00 0.00 C ATOM 1425 CD1 LEU A 87 10.416 -6.786 0.903 1.00 0.00 C ATOM 1426 CD2 LEU A 87 8.202 -5.975 1.727 1.00 0.00 C ATOM 0 H LEU A 87 8.550 -9.941 4.423 1.00 0.00 H new ATOM 0 HA LEU A 87 8.913 -8.741 1.847 1.00 0.00 H new ATOM 0 HB2 LEU A 87 9.014 -6.971 4.046 1.00 0.00 H new ATOM 0 HB3 LEU A 87 10.688 -7.325 3.666 1.00 0.00 H new ATOM 0 HG LEU A 87 10.110 -5.368 2.462 1.00 0.00 H new ATOM 0 HD11 LEU A 87 10.371 -6.042 0.108 1.00 0.00 H new ATOM 0 HD12 LEU A 87 11.456 -6.954 1.184 1.00 0.00 H new ATOM 0 HD13 LEU A 87 9.980 -7.721 0.551 1.00 0.00 H new ATOM 0 HD21 LEU A 87 8.192 -5.247 0.916 1.00 0.00 H new ATOM 0 HD22 LEU A 87 7.707 -6.889 1.400 1.00 0.00 H new ATOM 0 HD23 LEU A 87 7.675 -5.566 2.589 1.00 0.00 H new ATOM 1438 N HIS A 88 11.688 -9.149 2.575 1.00 0.00 N ATOM 1439 CA HIS A 88 12.910 -9.948 2.599 1.00 0.00 C ATOM 1440 C HIS A 88 13.683 -9.719 3.898 1.00 0.00 C ATOM 1441 O HIS A 88 13.551 -10.489 4.849 1.00 0.00 O ATOM 1442 CB HIS A 88 13.789 -9.624 1.385 1.00 0.00 C ATOM 1443 CG HIS A 88 14.041 -10.805 0.499 1.00 0.00 C ATOM 1444 ND1 HIS A 88 14.099 -12.100 0.970 1.00 0.00 N ATOM 1445 CD2 HIS A 88 14.254 -10.883 -0.836 1.00 0.00 C ATOM 1446 CE1 HIS A 88 14.339 -12.922 -0.036 1.00 0.00 C ATOM 1447 NE2 HIS A 88 14.436 -12.209 -1.143 1.00 0.00 N ATOM 0 H HIS A 88 11.819 -8.184 2.271 1.00 0.00 H new ATOM 0 HA HIS A 88 12.630 -11.000 2.551 1.00 0.00 H new ATOM 0 HB2 HIS A 88 13.313 -8.837 0.801 1.00 0.00 H new ATOM 0 HB3 HIS A 88 14.744 -9.230 1.732 1.00 0.00 H new ATOM 0 HD2 HIS A 88 14.277 -10.056 -1.530 1.00 0.00 H new ATOM 0 HE1 HIS A 88 14.439 -13.995 0.035 1.00 0.00 H new ATOM 0 HE2 HIS A 88 14.617 -12.582 -2.075 1.00 0.00 H new ATOM 1456 N LYS A 89 14.488 -8.655 3.941 1.00 0.00 N ATOM 1457 CA LYS A 89 15.269 -8.338 5.135 1.00 0.00 C ATOM 1458 C LYS A 89 16.235 -7.179 4.885 1.00 0.00 C ATOM 1459 O LYS A 89 16.136 -6.130 5.521 1.00 0.00 O ATOM 1460 CB LYS A 89 16.047 -9.568 5.617 1.00 0.00 C ATOM 1461 CG LYS A 89 16.653 -10.396 4.492 1.00 0.00 C ATOM 1462 CD LYS A 89 16.288 -11.868 4.617 1.00 0.00 C ATOM 1463 CE LYS A 89 16.875 -12.485 5.878 1.00 0.00 C ATOM 1464 NZ LYS A 89 15.815 -12.999 6.788 1.00 0.00 N ATOM 0 H LYS A 89 14.615 -8.003 3.167 1.00 0.00 H new ATOM 0 HA LYS A 89 14.565 -8.034 5.910 1.00 0.00 H new ATOM 0 HB2 LYS A 89 16.844 -9.242 6.285 1.00 0.00 H new ATOM 0 HB3 LYS A 89 15.380 -10.201 6.202 1.00 0.00 H new ATOM 0 HG2 LYS A 89 16.305 -10.015 3.532 1.00 0.00 H new ATOM 0 HG3 LYS A 89 17.738 -10.288 4.504 1.00 0.00 H new ATOM 0 HD2 LYS A 89 15.203 -11.975 4.630 1.00 0.00 H new ATOM 0 HD3 LYS A 89 16.651 -12.409 3.743 1.00 0.00 H new ATOM 0 HE2 LYS A 89 17.546 -13.299 5.605 1.00 0.00 H new ATOM 0 HE3 LYS A 89 17.474 -11.740 6.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 16.255 -13.411 7.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 15.189 -12.217 7.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 15.259 -13.728 6.297 1.00 0.00 H new ATOM 1478 N ARG A 90 17.178 -7.380 3.968 1.00 0.00 N ATOM 1479 CA ARG A 90 18.170 -6.357 3.650 1.00 0.00 C ATOM 1480 C ARG A 90 17.548 -5.174 2.912 1.00 0.00 C ATOM 1481 O ARG A 90 17.763 -4.019 3.281 1.00 0.00 O ATOM 1482 CB ARG A 90 19.298 -6.962 2.810 1.00 0.00 C ATOM 1483 CG ARG A 90 20.550 -7.274 3.612 1.00 0.00 C ATOM 1484 CD ARG A 90 21.207 -8.562 3.144 1.00 0.00 C ATOM 1485 NE ARG A 90 20.464 -9.744 3.574 1.00 0.00 N ATOM 1486 CZ ARG A 90 20.983 -10.970 3.622 1.00 0.00 C ATOM 1487 NH1 ARG A 90 22.245 -11.177 3.267 1.00 0.00 N ATOM 1488 NH2 ARG A 90 20.238 -11.990 4.026 1.00 0.00 N ATOM 0 H ARG A 90 17.276 -8.242 3.432 1.00 0.00 H new ATOM 0 HA ARG A 90 18.575 -5.986 4.592 1.00 0.00 H new ATOM 0 HB2 ARG A 90 18.939 -7.878 2.340 1.00 0.00 H new ATOM 0 HB3 ARG A 90 19.553 -6.271 2.007 1.00 0.00 H new ATOM 0 HG2 ARG A 90 21.257 -6.450 3.519 1.00 0.00 H new ATOM 0 HG3 ARG A 90 20.295 -7.358 4.668 1.00 0.00 H new ATOM 0 HD2 ARG A 90 21.281 -8.556 2.057 1.00 0.00 H new ATOM 0 HD3 ARG A 90 22.224 -8.612 3.533 1.00 0.00 H new ATOM 0 HE ARG A 90 19.491 -9.624 3.854 1.00 0.00 H new ATOM 0 HH11 ARG A 90 22.822 -10.396 2.956 1.00 0.00 H new ATOM 0 HH12 ARG A 90 22.638 -12.118 3.305 1.00 0.00 H new ATOM 0 HH21 ARG A 90 19.268 -11.836 4.300 1.00 0.00 H new ATOM 0 HH22 ARG A 90 20.635 -12.929 4.063 1.00 0.00 H new ATOM 1502 N GLU A 91 16.787 -5.465 1.862 1.00 0.00 N ATOM 1503 CA GLU A 91 16.146 -4.424 1.061 1.00 0.00 C ATOM 1504 C GLU A 91 15.394 -3.424 1.937 1.00 0.00 C ATOM 1505 O GLU A 91 15.558 -2.212 1.793 1.00 0.00 O ATOM 1506 CB GLU A 91 15.184 -5.054 0.051 1.00 0.00 C ATOM 1507 CG GLU A 91 15.795 -6.201 -0.736 1.00 0.00 C ATOM 1508 CD GLU A 91 15.380 -6.195 -2.194 1.00 0.00 C ATOM 1509 OE1 GLU A 91 14.162 -6.128 -2.464 1.00 0.00 O ATOM 1510 OE2 GLU A 91 16.272 -6.255 -3.066 1.00 0.00 O ATOM 0 H GLU A 91 16.598 -6.415 1.544 1.00 0.00 H new ATOM 0 HA GLU A 91 16.930 -3.885 0.530 1.00 0.00 H new ATOM 0 HB2 GLU A 91 14.302 -5.416 0.579 1.00 0.00 H new ATOM 0 HB3 GLU A 91 14.846 -4.286 -0.645 1.00 0.00 H new ATOM 0 HG2 GLU A 91 16.882 -6.143 -0.671 1.00 0.00 H new ATOM 0 HG3 GLU A 91 15.499 -7.147 -0.282 1.00 0.00 H new ATOM 1517 N ILE A 92 14.566 -3.937 2.838 1.00 0.00 N ATOM 1518 CA ILE A 92 13.783 -3.091 3.732 1.00 0.00 C ATOM 1519 C ILE A 92 14.674 -2.147 4.536 1.00 0.00 C ATOM 1520 O ILE A 92 14.422 -0.943 4.597 1.00 0.00 O ATOM 1521 CB ILE A 92 12.938 -3.929 4.712 1.00 0.00 C ATOM 1522 CG1 ILE A 92 12.185 -5.030 3.962 1.00 0.00 C ATOM 1523 CG2 ILE A 92 11.966 -3.035 5.468 1.00 0.00 C ATOM 1524 CD1 ILE A 92 12.915 -6.355 3.939 1.00 0.00 C ATOM 0 H ILE A 92 14.419 -4.938 2.970 1.00 0.00 H new ATOM 0 HA ILE A 92 13.120 -2.505 3.095 1.00 0.00 H new ATOM 0 HB ILE A 92 13.606 -4.401 5.433 1.00 0.00 H new ATOM 0 HG12 ILE A 92 11.208 -5.171 4.425 1.00 0.00 H new ATOM 0 HG13 ILE A 92 12.008 -4.704 2.937 1.00 0.00 H new ATOM 0 HG21 ILE A 92 11.376 -3.640 6.156 1.00 0.00 H new ATOM 0 HG22 ILE A 92 12.523 -2.285 6.030 1.00 0.00 H new ATOM 0 HG23 ILE A 92 11.302 -2.539 4.760 1.00 0.00 H new ATOM 0 HD11 ILE A 92 12.322 -7.087 3.391 1.00 0.00 H new ATOM 0 HD12 ILE A 92 13.881 -6.230 3.449 1.00 0.00 H new ATOM 0 HD13 ILE A 92 13.068 -6.704 4.960 1.00 0.00 H new ATOM 1536 N MET A 93 15.708 -2.701 5.157 1.00 0.00 N ATOM 1537 CA MET A 93 16.631 -1.911 5.967 1.00 0.00 C ATOM 1538 C MET A 93 17.237 -0.758 5.168 1.00 0.00 C ATOM 1539 O MET A 93 16.986 0.411 5.461 1.00 0.00 O ATOM 1540 CB MET A 93 17.747 -2.803 6.516 1.00 0.00 C ATOM 1541 CG MET A 93 18.303 -2.332 7.850 1.00 0.00 C ATOM 1542 SD MET A 93 17.642 -3.261 9.247 1.00 0.00 S ATOM 1543 CE MET A 93 18.408 -4.858 8.984 1.00 0.00 C ATOM 0 H MET A 93 15.930 -3.696 5.116 1.00 0.00 H new ATOM 0 HA MET A 93 16.063 -1.486 6.794 1.00 0.00 H new ATOM 0 HB2 MET A 93 17.367 -3.818 6.629 1.00 0.00 H new ATOM 0 HB3 MET A 93 18.558 -2.845 5.789 1.00 0.00 H new ATOM 0 HG2 MET A 93 19.389 -2.424 7.839 1.00 0.00 H new ATOM 0 HG3 MET A 93 18.074 -1.274 7.981 1.00 0.00 H new ATOM 0 HE1 MET A 93 18.430 -5.410 9.924 1.00 0.00 H new ATOM 0 HE2 MET A 93 17.835 -5.420 8.247 1.00 0.00 H new ATOM 0 HE3 MET A 93 19.426 -4.718 8.622 1.00 0.00 H new ATOM 1553 N ARG A 94 18.043 -1.096 4.167 1.00 0.00 N ATOM 1554 CA ARG A 94 18.699 -0.092 3.330 1.00 0.00 C ATOM 1555 C ARG A 94 17.706 0.944 2.804 1.00 0.00 C ATOM 1556 O ARG A 94 17.896 2.146 2.986 1.00 0.00 O ATOM 1557 CB ARG A 94 19.415 -0.767 2.159 1.00 0.00 C ATOM 1558 CG ARG A 94 20.867 -1.113 2.450 1.00 0.00 C ATOM 1559 CD ARG A 94 21.801 -0.533 1.400 1.00 0.00 C ATOM 1560 NE ARG A 94 22.177 -1.524 0.395 1.00 0.00 N ATOM 1561 CZ ARG A 94 23.111 -2.454 0.583 1.00 0.00 C ATOM 1562 NH1 ARG A 94 23.765 -2.524 1.736 1.00 0.00 N ATOM 1563 NH2 ARG A 94 23.391 -3.317 -0.385 1.00 0.00 N ATOM 0 H ARG A 94 18.259 -2.060 3.913 1.00 0.00 H new ATOM 0 HA ARG A 94 19.428 0.428 3.952 1.00 0.00 H new ATOM 0 HB2 ARG A 94 18.879 -1.678 1.893 1.00 0.00 H new ATOM 0 HB3 ARG A 94 19.374 -0.109 1.291 1.00 0.00 H new ATOM 0 HG2 ARG A 94 21.143 -0.732 3.433 1.00 0.00 H new ATOM 0 HG3 ARG A 94 20.984 -2.196 2.484 1.00 0.00 H new ATOM 0 HD2 ARG A 94 21.317 0.313 0.912 1.00 0.00 H new ATOM 0 HD3 ARG A 94 22.699 -0.150 1.885 1.00 0.00 H new ATOM 0 HE ARG A 94 21.696 -1.502 -0.504 1.00 0.00 H new ATOM 0 HH11 ARG A 94 23.553 -1.863 2.484 1.00 0.00 H new ATOM 0 HH12 ARG A 94 24.480 -3.239 1.874 1.00 0.00 H new ATOM 0 HH21 ARG A 94 22.891 -3.268 -1.273 1.00 0.00 H new ATOM 0 HH22 ARG A 94 24.106 -4.030 -0.242 1.00 0.00 H new ATOM 1577 N LEU A 95 16.654 0.471 2.143 1.00 0.00 N ATOM 1578 CA LEU A 95 15.639 1.358 1.579 1.00 0.00 C ATOM 1579 C LEU A 95 15.134 2.366 2.610 1.00 0.00 C ATOM 1580 O LEU A 95 15.250 3.574 2.417 1.00 0.00 O ATOM 1581 CB LEU A 95 14.465 0.540 1.035 1.00 0.00 C ATOM 1582 CG LEU A 95 14.605 0.098 -0.423 1.00 0.00 C ATOM 1583 CD1 LEU A 95 13.827 -1.186 -0.668 1.00 0.00 C ATOM 1584 CD2 LEU A 95 14.131 1.197 -1.360 1.00 0.00 C ATOM 0 H LEU A 95 16.481 -0.522 1.984 1.00 0.00 H new ATOM 0 HA LEU A 95 16.104 1.914 0.765 1.00 0.00 H new ATOM 0 HB2 LEU A 95 14.340 -0.346 1.657 1.00 0.00 H new ATOM 0 HB3 LEU A 95 13.554 1.130 1.134 1.00 0.00 H new ATOM 0 HG LEU A 95 15.659 -0.095 -0.625 1.00 0.00 H new ATOM 0 HD11 LEU A 95 13.938 -1.485 -1.710 1.00 0.00 H new ATOM 0 HD12 LEU A 95 14.212 -1.974 -0.021 1.00 0.00 H new ATOM 0 HD13 LEU A 95 12.772 -1.020 -0.449 1.00 0.00 H new ATOM 0 HD21 LEU A 95 14.238 0.866 -2.393 1.00 0.00 H new ATOM 0 HD22 LEU A 95 13.084 1.421 -1.157 1.00 0.00 H new ATOM 0 HD23 LEU A 95 14.731 2.093 -1.203 1.00 0.00 H new ATOM 1596 N TYR A 96 14.565 1.860 3.699 1.00 0.00 N ATOM 1597 CA TYR A 96 14.029 2.712 4.759 1.00 0.00 C ATOM 1598 C TYR A 96 15.040 3.768 5.203 1.00 0.00 C ATOM 1599 O TYR A 96 14.714 4.952 5.295 1.00 0.00 O ATOM 1600 CB TYR A 96 13.612 1.857 5.957 1.00 0.00 C ATOM 1601 CG TYR A 96 13.017 2.652 7.097 1.00 0.00 C ATOM 1602 CD1 TYR A 96 12.014 3.587 6.868 1.00 0.00 C ATOM 1603 CD2 TYR A 96 13.457 2.467 8.401 1.00 0.00 C ATOM 1604 CE1 TYR A 96 11.468 4.315 7.909 1.00 0.00 C ATOM 1605 CE2 TYR A 96 12.915 3.190 9.447 1.00 0.00 C ATOM 1606 CZ TYR A 96 11.921 4.113 9.196 1.00 0.00 C ATOM 1607 OH TYR A 96 11.380 4.834 10.233 1.00 0.00 O ATOM 0 H TYR A 96 14.462 0.860 3.873 1.00 0.00 H new ATOM 0 HA TYR A 96 13.159 3.231 4.358 1.00 0.00 H new ATOM 0 HB2 TYR A 96 12.886 1.115 5.626 1.00 0.00 H new ATOM 0 HB3 TYR A 96 14.482 1.311 6.322 1.00 0.00 H new ATOM 0 HD1 TYR A 96 11.656 3.747 5.862 1.00 0.00 H new ATOM 0 HD2 TYR A 96 14.236 1.746 8.601 1.00 0.00 H new ATOM 0 HE1 TYR A 96 10.690 5.039 7.715 1.00 0.00 H new ATOM 0 HE2 TYR A 96 13.268 3.033 10.456 1.00 0.00 H new ATOM 0 HH TYR A 96 11.261 5.767 9.956 1.00 0.00 H new ATOM 1617 N GLY A 97 16.261 3.331 5.492 1.00 0.00 N ATOM 1618 CA GLY A 97 17.295 4.248 5.941 1.00 0.00 C ATOM 1619 C GLY A 97 17.525 5.414 4.996 1.00 0.00 C ATOM 1620 O GLY A 97 17.560 6.568 5.426 1.00 0.00 O ATOM 0 H GLY A 97 16.554 2.357 5.423 1.00 0.00 H new ATOM 0 HA2 GLY A 97 17.024 4.635 6.923 1.00 0.00 H new ATOM 0 HA3 GLY A 97 18.229 3.699 6.061 1.00 0.00 H new ATOM 1624 N LYS A 98 17.700 5.119 3.713 1.00 0.00 N ATOM 1625 CA LYS A 98 17.951 6.156 2.714 1.00 0.00 C ATOM 1626 C LYS A 98 16.719 7.020 2.457 1.00 0.00 C ATOM 1627 O LYS A 98 16.763 8.238 2.620 1.00 0.00 O ATOM 1628 CB LYS A 98 18.424 5.521 1.404 1.00 0.00 C ATOM 1629 CG LYS A 98 19.597 6.245 0.764 1.00 0.00 C ATOM 1630 CD LYS A 98 19.450 6.322 -0.747 1.00 0.00 C ATOM 1631 CE LYS A 98 20.099 5.129 -1.430 1.00 0.00 C ATOM 1632 NZ LYS A 98 19.369 3.862 -1.148 1.00 0.00 N ATOM 0 H LYS A 98 17.673 4.171 3.338 1.00 0.00 H new ATOM 0 HA LYS A 98 18.731 6.806 3.111 1.00 0.00 H new ATOM 0 HB2 LYS A 98 18.707 4.486 1.594 1.00 0.00 H new ATOM 0 HB3 LYS A 98 17.593 5.500 0.699 1.00 0.00 H new ATOM 0 HG2 LYS A 98 19.672 7.252 1.175 1.00 0.00 H new ATOM 0 HG3 LYS A 98 20.524 5.729 1.014 1.00 0.00 H new ATOM 0 HD2 LYS A 98 18.393 6.362 -1.009 1.00 0.00 H new ATOM 0 HD3 LYS A 98 19.904 7.243 -1.112 1.00 0.00 H new ATOM 0 HE2 LYS A 98 20.129 5.299 -2.506 1.00 0.00 H new ATOM 0 HE3 LYS A 98 21.132 5.036 -1.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 19.701 3.119 -1.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 19.547 3.570 -0.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 18.349 4.011 -1.286 1.00 0.00 H new ATOM 1646 N VAL A 99 15.631 6.394 2.037 1.00 0.00 N ATOM 1647 CA VAL A 99 14.397 7.114 1.733 1.00 0.00 C ATOM 1648 C VAL A 99 13.984 8.066 2.854 1.00 0.00 C ATOM 1649 O VAL A 99 13.667 9.228 2.611 1.00 0.00 O ATOM 1650 CB VAL A 99 13.238 6.135 1.458 1.00 0.00 C ATOM 1651 CG1 VAL A 99 12.841 5.373 2.715 1.00 0.00 C ATOM 1652 CG2 VAL A 99 12.043 6.872 0.874 1.00 0.00 C ATOM 0 H VAL A 99 15.574 5.385 1.897 1.00 0.00 H new ATOM 0 HA VAL A 99 14.604 7.704 0.840 1.00 0.00 H new ATOM 0 HB VAL A 99 13.586 5.405 0.727 1.00 0.00 H new ATOM 0 HG11 VAL A 99 12.022 4.692 2.484 1.00 0.00 H new ATOM 0 HG12 VAL A 99 13.695 4.802 3.080 1.00 0.00 H new ATOM 0 HG13 VAL A 99 12.522 6.078 3.482 1.00 0.00 H new ATOM 0 HG21 VAL A 99 11.235 6.165 0.687 1.00 0.00 H new ATOM 0 HG22 VAL A 99 11.704 7.631 1.579 1.00 0.00 H new ATOM 0 HG23 VAL A 99 12.332 7.349 -0.062 1.00 0.00 H new ATOM 1662 N GLN A 100 13.957 7.554 4.072 1.00 0.00 N ATOM 1663 CA GLN A 100 13.542 8.340 5.232 1.00 0.00 C ATOM 1664 C GLN A 100 14.550 9.423 5.626 1.00 0.00 C ATOM 1665 O GLN A 100 14.171 10.571 5.860 1.00 0.00 O ATOM 1666 CB GLN A 100 13.297 7.414 6.424 1.00 0.00 C ATOM 1667 CG GLN A 100 12.259 7.942 7.401 1.00 0.00 C ATOM 1668 CD GLN A 100 12.675 7.764 8.849 1.00 0.00 C ATOM 1669 OE1 GLN A 100 11.938 7.194 9.653 1.00 0.00 O ATOM 1670 NE2 GLN A 100 13.863 8.252 9.186 1.00 0.00 N ATOM 0 H GLN A 100 14.218 6.592 4.289 1.00 0.00 H new ATOM 0 HA GLN A 100 12.623 8.852 4.946 1.00 0.00 H new ATOM 0 HB2 GLN A 100 12.975 6.440 6.056 1.00 0.00 H new ATOM 0 HB3 GLN A 100 14.237 7.260 6.954 1.00 0.00 H new ATOM 0 HG2 GLN A 100 12.086 9.000 7.204 1.00 0.00 H new ATOM 0 HG3 GLN A 100 11.313 7.427 7.233 1.00 0.00 H new ATOM 0 HE21 GLN A 100 14.441 8.717 8.486 1.00 0.00 H new ATOM 0 HE22 GLN A 100 14.198 8.162 10.145 1.00 0.00 H new ATOM 1679 N GLU A 101 15.818 9.049 5.753 1.00 0.00 N ATOM 1680 CA GLU A 101 16.854 9.988 6.185 1.00 0.00 C ATOM 1681 C GLU A 101 17.183 11.064 5.152 1.00 0.00 C ATOM 1682 O GLU A 101 17.076 12.255 5.442 1.00 0.00 O ATOM 1683 CB GLU A 101 18.126 9.230 6.568 1.00 0.00 C ATOM 1684 CG GLU A 101 18.989 9.962 7.582 1.00 0.00 C ATOM 1685 CD GLU A 101 20.462 9.936 7.222 1.00 0.00 C ATOM 1686 OE1 GLU A 101 21.125 8.918 7.513 1.00 0.00 O ATOM 1687 OE2 GLU A 101 20.951 10.932 6.650 1.00 0.00 O ATOM 0 H GLU A 101 16.156 8.105 5.564 1.00 0.00 H new ATOM 0 HA GLU A 101 16.446 10.508 7.052 1.00 0.00 H new ATOM 0 HB2 GLU A 101 17.850 8.256 6.973 1.00 0.00 H new ATOM 0 HB3 GLU A 101 18.714 9.046 5.669 1.00 0.00 H new ATOM 0 HG2 GLU A 101 18.656 10.997 7.657 1.00 0.00 H new ATOM 0 HG3 GLU A 101 18.851 9.510 8.564 1.00 0.00 H new ATOM 1694 N LYS A 102 17.602 10.654 3.962 1.00 0.00 N ATOM 1695 CA LYS A 102 17.966 11.608 2.916 1.00 0.00 C ATOM 1696 C LYS A 102 16.885 12.668 2.752 1.00 0.00 C ATOM 1697 O LYS A 102 17.171 13.864 2.733 1.00 0.00 O ATOM 1698 CB LYS A 102 18.194 10.884 1.587 1.00 0.00 C ATOM 1699 CG LYS A 102 19.655 10.573 1.308 1.00 0.00 C ATOM 1700 CD LYS A 102 20.222 9.599 2.328 1.00 0.00 C ATOM 1701 CE LYS A 102 21.576 9.061 1.892 1.00 0.00 C ATOM 1702 NZ LYS A 102 21.813 7.676 2.386 1.00 0.00 N ATOM 0 H LYS A 102 17.699 9.674 3.695 1.00 0.00 H new ATOM 0 HA LYS A 102 18.892 12.099 3.214 1.00 0.00 H new ATOM 0 HB2 LYS A 102 17.627 9.953 1.588 1.00 0.00 H new ATOM 0 HB3 LYS A 102 17.800 11.497 0.776 1.00 0.00 H new ATOM 0 HG2 LYS A 102 19.754 10.152 0.307 1.00 0.00 H new ATOM 0 HG3 LYS A 102 20.234 11.496 1.324 1.00 0.00 H new ATOM 0 HD2 LYS A 102 20.321 10.097 3.293 1.00 0.00 H new ATOM 0 HD3 LYS A 102 19.528 8.770 2.467 1.00 0.00 H new ATOM 0 HE2 LYS A 102 21.637 9.073 0.804 1.00 0.00 H new ATOM 0 HE3 LYS A 102 22.363 9.718 2.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 22.562 7.688 3.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 20.937 7.301 2.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 22.106 7.070 1.593 1.00 0.00 H new ATOM 1716 N GLY A 103 15.644 12.218 2.636 1.00 0.00 N ATOM 1717 CA GLY A 103 14.538 13.141 2.481 1.00 0.00 C ATOM 1718 C GLY A 103 13.542 12.663 1.451 1.00 0.00 C ATOM 1719 O GLY A 103 13.232 13.376 0.496 1.00 0.00 O ATOM 0 H GLY A 103 15.383 11.232 2.646 1.00 0.00 H new ATOM 0 HA2 GLY A 103 14.035 13.268 3.440 1.00 0.00 H new ATOM 0 HA3 GLY A 103 14.920 14.119 2.189 1.00 0.00 H new ATOM 1723 N TYR A 104 13.046 11.447 1.639 1.00 0.00 N ATOM 1724 CA TYR A 104 12.083 10.871 0.704 1.00 0.00 C ATOM 1725 C TYR A 104 10.901 10.243 1.435 1.00 0.00 C ATOM 1726 O TYR A 104 10.972 9.958 2.631 1.00 0.00 O ATOM 1727 CB TYR A 104 12.765 9.828 -0.183 1.00 0.00 C ATOM 1728 CG TYR A 104 13.889 10.389 -1.028 1.00 0.00 C ATOM 1729 CD1 TYR A 104 13.786 11.647 -1.611 1.00 0.00 C ATOM 1730 CD2 TYR A 104 15.051 9.660 -1.243 1.00 0.00 C ATOM 1731 CE1 TYR A 104 14.811 12.161 -2.383 1.00 0.00 C ATOM 1732 CE2 TYR A 104 16.080 10.168 -2.014 1.00 0.00 C ATOM 1733 CZ TYR A 104 15.955 11.418 -2.581 1.00 0.00 C ATOM 1734 OH TYR A 104 16.977 11.927 -3.350 1.00 0.00 O ATOM 0 H TYR A 104 13.291 10.843 2.423 1.00 0.00 H new ATOM 0 HA TYR A 104 11.701 11.679 0.080 1.00 0.00 H new ATOM 0 HB2 TYR A 104 13.159 9.030 0.447 1.00 0.00 H new ATOM 0 HB3 TYR A 104 12.019 9.378 -0.838 1.00 0.00 H new ATOM 0 HD1 TYR A 104 12.891 12.232 -1.458 1.00 0.00 H new ATOM 0 HD2 TYR A 104 15.153 8.680 -0.801 1.00 0.00 H new ATOM 0 HE1 TYR A 104 14.716 13.140 -2.829 1.00 0.00 H new ATOM 0 HE2 TYR A 104 16.977 9.588 -2.171 1.00 0.00 H new ATOM 0 HH TYR A 104 17.711 11.279 -3.389 1.00 0.00 H new ATOM 1744 N THR A 105 9.812 10.029 0.701 1.00 0.00 N ATOM 1745 CA THR A 105 8.605 9.434 1.264 1.00 0.00 C ATOM 1746 C THR A 105 8.215 8.175 0.495 1.00 0.00 C ATOM 1747 O THR A 105 8.734 7.914 -0.590 1.00 0.00 O ATOM 1748 CB THR A 105 7.454 10.441 1.239 1.00 0.00 C ATOM 1749 OG1 THR A 105 6.248 9.834 1.670 1.00 0.00 O ATOM 1750 CG2 THR A 105 7.206 11.032 -0.132 1.00 0.00 C ATOM 0 H THR A 105 9.742 10.260 -0.290 1.00 0.00 H new ATOM 0 HA THR A 105 8.811 9.159 2.298 1.00 0.00 H new ATOM 0 HB THR A 105 7.756 11.243 1.913 1.00 0.00 H new ATOM 0 HG1 THR A 105 5.524 10.494 1.649 1.00 0.00 H new ATOM 0 HG21 THR A 105 6.377 11.738 -0.079 1.00 0.00 H new ATOM 0 HG22 THR A 105 8.103 11.550 -0.473 1.00 0.00 H new ATOM 0 HG23 THR A 105 6.959 10.234 -0.833 1.00 0.00 H new ATOM 1758 N ILE A 106 7.299 7.395 1.063 1.00 0.00 N ATOM 1759 CA ILE A 106 6.849 6.161 0.426 1.00 0.00 C ATOM 1760 C ILE A 106 5.334 6.114 0.307 1.00 0.00 C ATOM 1761 O ILE A 106 4.611 6.428 1.251 1.00 0.00 O ATOM 1762 CB ILE A 106 7.334 4.919 1.199 1.00 0.00 C ATOM 1763 CG1 ILE A 106 8.774 5.115 1.685 1.00 0.00 C ATOM 1764 CG2 ILE A 106 7.224 3.673 0.331 1.00 0.00 C ATOM 1765 CD1 ILE A 106 8.877 5.408 3.167 1.00 0.00 C ATOM 0 H ILE A 106 6.855 7.595 1.960 1.00 0.00 H new ATOM 0 HA ILE A 106 7.283 6.151 -0.574 1.00 0.00 H new ATOM 0 HB ILE A 106 6.695 4.786 2.072 1.00 0.00 H new ATOM 0 HG12 ILE A 106 9.350 4.218 1.459 1.00 0.00 H new ATOM 0 HG13 ILE A 106 9.229 5.934 1.128 1.00 0.00 H new ATOM 0 HG21 ILE A 106 7.571 2.806 0.893 1.00 0.00 H new ATOM 0 HG22 ILE A 106 6.185 3.524 0.039 1.00 0.00 H new ATOM 0 HG23 ILE A 106 7.838 3.796 -0.561 1.00 0.00 H new ATOM 0 HD11 ILE A 106 9.924 5.535 3.441 1.00 0.00 H new ATOM 0 HD12 ILE A 106 8.328 6.322 3.396 1.00 0.00 H new ATOM 0 HD13 ILE A 106 8.452 4.578 3.732 1.00 0.00 H new ATOM 1777 N ILE A 107 4.865 5.721 -0.871 1.00 0.00 N ATOM 1778 CA ILE A 107 3.439 5.634 -1.135 1.00 0.00 C ATOM 1779 C ILE A 107 3.082 4.325 -1.844 1.00 0.00 C ATOM 1780 O ILE A 107 3.913 3.735 -2.533 1.00 0.00 O ATOM 1781 CB ILE A 107 2.968 6.817 -1.997 1.00 0.00 C ATOM 1782 CG1 ILE A 107 3.734 6.857 -3.324 1.00 0.00 C ATOM 1783 CG2 ILE A 107 3.130 8.126 -1.236 1.00 0.00 C ATOM 1784 CD1 ILE A 107 5.166 7.333 -3.195 1.00 0.00 C ATOM 0 H ILE A 107 5.456 5.457 -1.659 1.00 0.00 H new ATOM 0 HA ILE A 107 2.933 5.664 -0.170 1.00 0.00 H new ATOM 0 HB ILE A 107 1.910 6.682 -2.223 1.00 0.00 H new ATOM 0 HG12 ILE A 107 3.732 5.859 -3.763 1.00 0.00 H new ATOM 0 HG13 ILE A 107 3.205 7.511 -4.017 1.00 0.00 H new ATOM 0 HG21 ILE A 107 2.792 8.954 -1.860 1.00 0.00 H new ATOM 0 HG22 ILE A 107 2.534 8.093 -0.324 1.00 0.00 H new ATOM 0 HG23 ILE A 107 4.179 8.270 -0.979 1.00 0.00 H new ATOM 0 HD11 ILE A 107 5.639 7.333 -4.177 1.00 0.00 H new ATOM 0 HD12 ILE A 107 5.178 8.343 -2.787 1.00 0.00 H new ATOM 0 HD13 ILE A 107 5.713 6.666 -2.529 1.00 0.00 H new ATOM 1796 N PRO A 108 1.834 3.848 -1.675 1.00 0.00 N ATOM 1797 CA PRO A 108 1.366 2.609 -2.291 1.00 0.00 C ATOM 1798 C PRO A 108 0.791 2.836 -3.685 1.00 0.00 C ATOM 1799 O PRO A 108 0.512 3.971 -4.069 1.00 0.00 O ATOM 1800 CB PRO A 108 0.267 2.167 -1.333 1.00 0.00 C ATOM 1801 CG PRO A 108 -0.328 3.443 -0.835 1.00 0.00 C ATOM 1802 CD PRO A 108 0.777 4.477 -0.859 1.00 0.00 C ATOM 0 HA PRO A 108 2.166 1.882 -2.431 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -0.478 1.552 -1.839 1.00 0.00 H new ATOM 0 HB3 PRO A 108 0.670 1.570 -0.514 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -1.162 3.753 -1.465 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -0.720 3.319 0.174 1.00 0.00 H new ATOM 0 HD2 PRO A 108 0.437 5.415 -1.299 1.00 0.00 H new ATOM 0 HD3 PRO A 108 1.131 4.706 0.146 1.00 0.00 H new ATOM 1810 N LEU A 109 0.608 1.754 -4.437 1.00 0.00 N ATOM 1811 CA LEU A 109 0.060 1.854 -5.781 1.00 0.00 C ATOM 1812 C LEU A 109 -1.169 0.953 -5.943 1.00 0.00 C ATOM 1813 O LEU A 109 -2.265 1.312 -5.511 1.00 0.00 O ATOM 1814 CB LEU A 109 1.134 1.513 -6.820 1.00 0.00 C ATOM 1815 CG LEU A 109 0.655 1.510 -8.273 1.00 0.00 C ATOM 1816 CD1 LEU A 109 0.956 2.845 -8.936 1.00 0.00 C ATOM 1817 CD2 LEU A 109 1.302 0.371 -9.047 1.00 0.00 C ATOM 0 H LEU A 109 0.830 0.804 -4.138 1.00 0.00 H new ATOM 0 HA LEU A 109 -0.262 2.882 -5.945 1.00 0.00 H new ATOM 0 HB2 LEU A 109 1.950 2.229 -6.724 1.00 0.00 H new ATOM 0 HB3 LEU A 109 1.544 0.530 -6.587 1.00 0.00 H new ATOM 0 HG LEU A 109 -0.424 1.359 -8.279 1.00 0.00 H new ATOM 0 HD11 LEU A 109 0.608 2.825 -9.969 1.00 0.00 H new ATOM 0 HD12 LEU A 109 0.445 3.643 -8.397 1.00 0.00 H new ATOM 0 HD13 LEU A 109 2.031 3.026 -8.918 1.00 0.00 H new ATOM 0 HD21 LEU A 109 0.949 0.385 -10.078 1.00 0.00 H new ATOM 0 HD22 LEU A 109 2.385 0.491 -9.033 1.00 0.00 H new ATOM 0 HD23 LEU A 109 1.036 -0.580 -8.585 1.00 0.00 H new ATOM 1829 N LYS A 110 -0.992 -0.214 -6.563 1.00 0.00 N ATOM 1830 CA LYS A 110 -2.103 -1.137 -6.775 1.00 0.00 C ATOM 1831 C LYS A 110 -1.807 -2.531 -6.231 1.00 0.00 C ATOM 1832 O LYS A 110 -0.791 -3.144 -6.554 1.00 0.00 O ATOM 1833 CB LYS A 110 -2.434 -1.226 -8.266 1.00 0.00 C ATOM 1834 CG LYS A 110 -2.988 0.066 -8.844 1.00 0.00 C ATOM 1835 CD LYS A 110 -2.137 0.577 -9.996 1.00 0.00 C ATOM 1836 CE LYS A 110 -2.116 2.096 -10.046 1.00 0.00 C ATOM 1837 NZ LYS A 110 -3.419 2.655 -10.500 1.00 0.00 N ATOM 0 H LYS A 110 -0.095 -0.540 -6.924 1.00 0.00 H new ATOM 0 HA LYS A 110 -2.959 -0.743 -6.227 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -1.533 -1.503 -8.814 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -3.159 -2.024 -8.422 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -4.008 -0.098 -9.190 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -3.035 0.824 -8.062 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -1.119 0.202 -9.891 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -2.525 0.187 -10.937 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -1.877 2.488 -9.057 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -1.325 2.426 -10.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -3.363 3.693 -10.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -3.635 2.301 -11.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -4.170 2.362 -9.843 1.00 0.00 H new ATOM 1851 N LEU A 111 -2.735 -3.029 -5.427 1.00 0.00 N ATOM 1852 CA LEU A 111 -2.639 -4.354 -4.850 1.00 0.00 C ATOM 1853 C LEU A 111 -3.894 -5.145 -5.200 1.00 0.00 C ATOM 1854 O LEU A 111 -5.005 -4.707 -4.942 1.00 0.00 O ATOM 1855 CB LEU A 111 -2.462 -4.280 -3.332 1.00 0.00 C ATOM 1856 CG LEU A 111 -3.586 -3.570 -2.573 1.00 0.00 C ATOM 1857 CD1 LEU A 111 -3.994 -4.368 -1.343 1.00 0.00 C ATOM 1858 CD2 LEU A 111 -3.155 -2.165 -2.178 1.00 0.00 C ATOM 0 H LEU A 111 -3.577 -2.520 -5.158 1.00 0.00 H new ATOM 0 HA LEU A 111 -1.764 -4.856 -5.262 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -2.369 -5.295 -2.944 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -1.523 -3.770 -3.117 1.00 0.00 H new ATOM 0 HG LEU A 111 -4.450 -3.495 -3.233 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -4.794 -3.845 -0.819 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -4.344 -5.354 -1.649 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -3.136 -4.477 -0.679 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -3.965 -1.674 -1.639 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -2.275 -2.221 -1.537 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -2.916 -1.592 -3.074 1.00 0.00 H new ATOM 1870 N TYR A 112 -3.703 -6.298 -5.804 1.00 0.00 N ATOM 1871 CA TYR A 112 -4.814 -7.160 -6.211 1.00 0.00 C ATOM 1872 C TYR A 112 -4.515 -8.599 -5.828 1.00 0.00 C ATOM 1873 O TYR A 112 -3.347 -8.954 -5.671 1.00 0.00 O ATOM 1874 CB TYR A 112 -5.029 -7.054 -7.720 1.00 0.00 C ATOM 1875 CG TYR A 112 -3.745 -7.080 -8.521 1.00 0.00 C ATOM 1876 CD1 TYR A 112 -3.195 -8.279 -8.955 1.00 0.00 C ATOM 1877 CD2 TYR A 112 -3.085 -5.901 -8.844 1.00 0.00 C ATOM 1878 CE1 TYR A 112 -2.023 -8.303 -9.688 1.00 0.00 C ATOM 1879 CE2 TYR A 112 -1.913 -5.916 -9.576 1.00 0.00 C ATOM 1880 CZ TYR A 112 -1.386 -7.119 -9.995 1.00 0.00 C ATOM 1881 OH TYR A 112 -0.220 -7.139 -10.724 1.00 0.00 O ATOM 0 H TYR A 112 -2.781 -6.671 -6.030 1.00 0.00 H new ATOM 0 HA TYR A 112 -5.722 -6.838 -5.701 1.00 0.00 H new ATOM 0 HB2 TYR A 112 -5.667 -7.876 -8.046 1.00 0.00 H new ATOM 0 HB3 TYR A 112 -5.564 -6.130 -7.938 1.00 0.00 H new ATOM 0 HD1 TYR A 112 -3.691 -9.208 -8.716 1.00 0.00 H new ATOM 0 HD2 TYR A 112 -3.495 -4.957 -8.517 1.00 0.00 H new ATOM 0 HE1 TYR A 112 -1.609 -9.244 -10.018 1.00 0.00 H new ATOM 0 HE2 TYR A 112 -1.413 -4.990 -9.819 1.00 0.00 H new ATOM 0 HH TYR A 112 0.100 -6.222 -10.855 1.00 0.00 H new ATOM 1891 N TRP A 113 -5.537 -9.444 -5.670 1.00 0.00 N ATOM 1892 CA TRP A 113 -5.259 -10.831 -5.302 1.00 0.00 C ATOM 1893 C TRP A 113 -5.604 -11.808 -6.418 1.00 0.00 C ATOM 1894 O TRP A 113 -6.732 -11.871 -6.903 1.00 0.00 O ATOM 1895 CB TRP A 113 -5.923 -11.235 -3.968 1.00 0.00 C ATOM 1896 CG TRP A 113 -7.352 -10.854 -3.850 1.00 0.00 C ATOM 1897 CD1 TRP A 113 -8.216 -10.769 -4.864 1.00 0.00 C ATOM 1898 CD2 TRP A 113 -8.079 -10.528 -2.664 1.00 0.00 C ATOM 1899 NE1 TRP A 113 -9.451 -10.377 -4.417 1.00 0.00 N ATOM 1900 CE2 TRP A 113 -9.393 -10.228 -3.062 1.00 0.00 C ATOM 1901 CE3 TRP A 113 -7.754 -10.453 -1.310 1.00 0.00 C ATOM 1902 CZ2 TRP A 113 -10.376 -9.857 -2.160 1.00 0.00 C ATOM 1903 CZ3 TRP A 113 -8.733 -10.085 -0.413 1.00 0.00 C ATOM 1904 CH2 TRP A 113 -10.031 -9.791 -0.844 1.00 0.00 C ATOM 0 H TRP A 113 -6.522 -9.206 -5.785 1.00 0.00 H new ATOM 0 HA TRP A 113 -4.181 -10.889 -5.149 1.00 0.00 H new ATOM 0 HB2 TRP A 113 -5.837 -12.315 -3.847 1.00 0.00 H new ATOM 0 HB3 TRP A 113 -5.369 -10.777 -3.148 1.00 0.00 H new ATOM 0 HD1 TRP A 113 -7.975 -10.980 -5.895 1.00 0.00 H new ATOM 0 HE1 TRP A 113 -10.274 -10.223 -4.999 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -6.754 -10.679 -0.971 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 -11.379 -9.628 -2.488 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -8.495 -10.023 0.639 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -10.776 -9.505 -0.117 1.00 0.00 H new ATOM 1915 N LYS A 114 -4.598 -12.584 -6.802 1.00 0.00 N ATOM 1916 CA LYS A 114 -4.740 -13.592 -7.839 1.00 0.00 C ATOM 1917 C LYS A 114 -4.634 -14.963 -7.199 1.00 0.00 C ATOM 1918 O LYS A 114 -3.913 -15.136 -6.216 1.00 0.00 O ATOM 1919 CB LYS A 114 -3.662 -13.428 -8.915 1.00 0.00 C ATOM 1920 CG LYS A 114 -3.244 -11.986 -9.157 1.00 0.00 C ATOM 1921 CD LYS A 114 -2.429 -11.850 -10.432 1.00 0.00 C ATOM 1922 CE LYS A 114 -0.936 -11.899 -10.149 1.00 0.00 C ATOM 1923 NZ LYS A 114 -0.584 -13.005 -9.216 1.00 0.00 N ATOM 0 H LYS A 114 -3.661 -12.530 -6.402 1.00 0.00 H new ATOM 0 HA LYS A 114 -5.711 -13.477 -8.322 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -2.784 -14.006 -8.627 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -4.029 -13.851 -9.850 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -4.130 -11.355 -9.221 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -2.659 -11.628 -8.310 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -2.696 -12.650 -11.122 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -2.676 -10.909 -10.924 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -0.393 -12.027 -11.085 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -0.616 -10.948 -9.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 0.450 -13.113 -9.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -0.942 -12.784 -8.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -1.013 -13.891 -9.550 1.00 0.00 H new ATOM 1937 N ASN A 115 -5.367 -15.929 -7.727 1.00 0.00 N ATOM 1938 CA ASN A 115 -5.356 -17.271 -7.163 1.00 0.00 C ATOM 1939 C ASN A 115 -6.123 -17.284 -5.844 1.00 0.00 C ATOM 1940 O ASN A 115 -7.070 -18.053 -5.680 1.00 0.00 O ATOM 1941 CB ASN A 115 -3.921 -17.763 -6.946 1.00 0.00 C ATOM 1942 CG ASN A 115 -3.833 -19.275 -6.872 1.00 0.00 C ATOM 1943 OD1 ASN A 115 -3.525 -19.938 -7.863 1.00 0.00 O ATOM 1944 ND2 ASN A 115 -4.104 -19.828 -5.696 1.00 0.00 N ATOM 0 H ASN A 115 -5.973 -15.812 -8.539 1.00 0.00 H new ATOM 0 HA ASN A 115 -5.842 -17.946 -7.868 1.00 0.00 H new ATOM 0 HB2 ASN A 115 -3.290 -17.404 -7.759 1.00 0.00 H new ATOM 0 HB3 ASN A 115 -3.528 -17.333 -6.025 1.00 0.00 H new ATOM 0 HD21 ASN A 115 -4.061 -20.841 -5.587 1.00 0.00 H new ATOM 0 HD22 ASN A 115 -4.355 -19.240 -4.901 1.00 0.00 H new ATOM 1951 N ASN A 116 -5.723 -16.418 -4.904 1.00 0.00 N ATOM 1952 CA ASN A 116 -6.407 -16.348 -3.617 1.00 0.00 C ATOM 1953 C ASN A 116 -5.847 -15.270 -2.679 1.00 0.00 C ATOM 1954 O ASN A 116 -6.448 -15.006 -1.636 1.00 0.00 O ATOM 1955 CB ASN A 116 -6.354 -17.708 -2.918 1.00 0.00 C ATOM 1956 CG ASN A 116 -7.621 -18.010 -2.142 1.00 0.00 C ATOM 1957 OD1 ASN A 116 -7.687 -17.795 -0.931 1.00 0.00 O ATOM 1958 ND2 ASN A 116 -8.635 -18.511 -2.837 1.00 0.00 N ATOM 0 H ASN A 116 -4.943 -15.769 -5.011 1.00 0.00 H new ATOM 0 HA ASN A 116 -7.438 -16.070 -3.838 1.00 0.00 H new ATOM 0 HB2 ASN A 116 -6.192 -18.489 -3.661 1.00 0.00 H new ATOM 0 HB3 ASN A 116 -5.501 -17.731 -2.239 1.00 0.00 H new ATOM 0 HD21 ASN A 116 -9.513 -18.734 -2.369 1.00 0.00 H new ATOM 0 HD22 ASN A 116 -8.536 -18.673 -3.839 1.00 0.00 H new ATOM 1965 N LYS A 117 -4.711 -14.643 -3.011 1.00 0.00 N ATOM 1966 CA LYS A 117 -4.161 -13.617 -2.118 1.00 0.00 C ATOM 1967 C LYS A 117 -3.630 -12.396 -2.855 1.00 0.00 C ATOM 1968 O LYS A 117 -3.413 -12.425 -4.065 1.00 0.00 O ATOM 1969 CB LYS A 117 -3.079 -14.208 -1.214 1.00 0.00 C ATOM 1970 CG LYS A 117 -3.630 -15.077 -0.094 1.00 0.00 C ATOM 1971 CD LYS A 117 -2.914 -16.417 -0.018 1.00 0.00 C ATOM 1972 CE LYS A 117 -3.884 -17.553 0.262 1.00 0.00 C ATOM 1973 NZ LYS A 117 -4.392 -17.520 1.661 1.00 0.00 N ATOM 0 H LYS A 117 -4.172 -14.819 -3.859 1.00 0.00 H new ATOM 0 HA LYS A 117 -4.994 -13.271 -1.506 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -2.395 -14.802 -1.820 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -2.497 -13.396 -0.779 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -3.526 -14.554 0.857 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -4.696 -15.242 -0.252 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -2.393 -16.606 -0.956 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -2.157 -16.382 0.766 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -4.724 -17.492 -0.430 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -3.389 -18.506 0.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -5.050 -18.311 1.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -3.594 -17.604 2.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -4.887 -16.621 1.829 1.00 0.00 H new ATOM 1987 N VAL A 118 -3.493 -11.297 -2.102 1.00 0.00 N ATOM 1988 CA VAL A 118 -3.070 -10.009 -2.655 1.00 0.00 C ATOM 1989 C VAL A 118 -1.566 -9.772 -2.663 1.00 0.00 C ATOM 1990 O VAL A 118 -0.841 -10.144 -1.740 1.00 0.00 O ATOM 1991 CB VAL A 118 -3.687 -8.821 -1.878 1.00 0.00 C ATOM 1992 CG1 VAL A 118 -3.736 -7.580 -2.753 1.00 0.00 C ATOM 1993 CG2 VAL A 118 -5.070 -9.151 -1.346 1.00 0.00 C ATOM 0 H VAL A 118 -3.672 -11.278 -1.098 1.00 0.00 H new ATOM 0 HA VAL A 118 -3.424 -10.060 -3.685 1.00 0.00 H new ATOM 0 HB VAL A 118 -3.045 -8.623 -1.020 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -4.173 -6.755 -2.190 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -2.726 -7.313 -3.063 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -4.345 -7.780 -3.635 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -5.467 -8.291 -0.807 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -5.731 -9.395 -2.178 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -5.006 -10.004 -0.671 1.00 0.00 H new ATOM 2003 N LYS A 119 -1.151 -9.048 -3.694 1.00 0.00 N ATOM 2004 CA LYS A 119 0.215 -8.608 -3.875 1.00 0.00 C ATOM 2005 C LYS A 119 0.162 -7.091 -4.047 1.00 0.00 C ATOM 2006 O LYS A 119 -0.572 -6.587 -4.900 1.00 0.00 O ATOM 2007 CB LYS A 119 0.846 -9.271 -5.102 1.00 0.00 C ATOM 2008 CG LYS A 119 2.309 -9.638 -4.912 1.00 0.00 C ATOM 2009 CD LYS A 119 3.039 -9.720 -6.243 1.00 0.00 C ATOM 2010 CE LYS A 119 4.455 -9.179 -6.134 1.00 0.00 C ATOM 2011 NZ LYS A 119 5.117 -9.079 -7.463 1.00 0.00 N ATOM 0 H LYS A 119 -1.775 -8.746 -4.443 1.00 0.00 H new ATOM 0 HA LYS A 119 0.830 -8.885 -3.019 1.00 0.00 H new ATOM 0 HB2 LYS A 119 0.283 -10.172 -5.347 1.00 0.00 H new ATOM 0 HB3 LYS A 119 0.757 -8.597 -5.954 1.00 0.00 H new ATOM 0 HG2 LYS A 119 2.792 -8.896 -4.276 1.00 0.00 H new ATOM 0 HG3 LYS A 119 2.381 -10.596 -4.396 1.00 0.00 H new ATOM 0 HD2 LYS A 119 3.069 -10.756 -6.580 1.00 0.00 H new ATOM 0 HD3 LYS A 119 2.489 -9.156 -6.996 1.00 0.00 H new ATOM 0 HE2 LYS A 119 4.432 -8.195 -5.665 1.00 0.00 H new ATOM 0 HE3 LYS A 119 5.042 -9.828 -5.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 6.080 -8.706 -7.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 5.162 -10.022 -7.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 4.571 -8.439 -8.075 1.00 0.00 H new ATOM 2025 N VAL A 120 0.894 -6.363 -3.215 1.00 0.00 N ATOM 2026 CA VAL A 120 0.876 -4.903 -3.269 1.00 0.00 C ATOM 2027 C VAL A 120 2.189 -4.345 -3.804 1.00 0.00 C ATOM 2028 O VAL A 120 3.260 -4.627 -3.266 1.00 0.00 O ATOM 2029 CB VAL A 120 0.628 -4.301 -1.871 1.00 0.00 C ATOM 2030 CG1 VAL A 120 0.407 -2.799 -1.966 1.00 0.00 C ATOM 2031 CG2 VAL A 120 -0.552 -4.983 -1.192 1.00 0.00 C ATOM 0 H VAL A 120 1.505 -6.754 -2.498 1.00 0.00 H new ATOM 0 HA VAL A 120 0.065 -4.627 -3.943 1.00 0.00 H new ATOM 0 HB VAL A 120 1.514 -4.475 -1.261 1.00 0.00 H new ATOM 0 HG11 VAL A 120 0.234 -2.393 -0.969 1.00 0.00 H new ATOM 0 HG12 VAL A 120 1.288 -2.328 -2.401 1.00 0.00 H new ATOM 0 HG13 VAL A 120 -0.460 -2.598 -2.595 1.00 0.00 H new ATOM 0 HG21 VAL A 120 -0.709 -4.543 -0.207 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -1.448 -4.847 -1.797 1.00 0.00 H new ATOM 0 HG23 VAL A 120 -0.344 -6.048 -1.085 1.00 0.00 H new ATOM 2041 N LEU A 121 2.097 -3.533 -4.850 1.00 0.00 N ATOM 2042 CA LEU A 121 3.277 -2.915 -5.435 1.00 0.00 C ATOM 2043 C LEU A 121 3.412 -1.487 -4.925 1.00 0.00 C ATOM 2044 O LEU A 121 2.480 -0.691 -5.037 1.00 0.00 O ATOM 2045 CB LEU A 121 3.186 -2.924 -6.964 1.00 0.00 C ATOM 2046 CG LEU A 121 4.405 -2.345 -7.684 1.00 0.00 C ATOM 2047 CD1 LEU A 121 4.806 -3.228 -8.857 1.00 0.00 C ATOM 2048 CD2 LEU A 121 4.124 -0.927 -8.156 1.00 0.00 C ATOM 0 H LEU A 121 1.219 -3.288 -5.309 1.00 0.00 H new ATOM 0 HA LEU A 121 4.157 -3.486 -5.141 1.00 0.00 H new ATOM 0 HB2 LEU A 121 3.038 -3.951 -7.299 1.00 0.00 H new ATOM 0 HB3 LEU A 121 2.303 -2.360 -7.264 1.00 0.00 H new ATOM 0 HG LEU A 121 5.235 -2.315 -6.978 1.00 0.00 H new ATOM 0 HD11 LEU A 121 5.675 -2.798 -9.355 1.00 0.00 H new ATOM 0 HD12 LEU A 121 5.053 -4.226 -8.494 1.00 0.00 H new ATOM 0 HD13 LEU A 121 3.978 -3.293 -9.563 1.00 0.00 H new ATOM 0 HD21 LEU A 121 5.003 -0.532 -8.666 1.00 0.00 H new ATOM 0 HD22 LEU A 121 3.278 -0.933 -8.843 1.00 0.00 H new ATOM 0 HD23 LEU A 121 3.889 -0.298 -7.298 1.00 0.00 H new ATOM 2060 N ILE A 122 4.565 -1.165 -4.348 1.00 0.00 N ATOM 2061 CA ILE A 122 4.789 0.173 -3.809 1.00 0.00 C ATOM 2062 C ILE A 122 6.047 0.799 -4.390 1.00 0.00 C ATOM 2063 O ILE A 122 7.009 0.108 -4.726 1.00 0.00 O ATOM 2064 CB ILE A 122 4.857 0.150 -2.264 1.00 0.00 C ATOM 2065 CG1 ILE A 122 5.420 1.458 -1.694 1.00 0.00 C ATOM 2066 CG2 ILE A 122 5.675 -1.037 -1.776 1.00 0.00 C ATOM 2067 CD1 ILE A 122 4.625 1.990 -0.522 1.00 0.00 C ATOM 0 H ILE A 122 5.352 -1.805 -4.242 1.00 0.00 H new ATOM 0 HA ILE A 122 3.939 0.789 -4.102 1.00 0.00 H new ATOM 0 HB ILE A 122 3.835 0.046 -1.900 1.00 0.00 H new ATOM 0 HG12 ILE A 122 6.451 1.296 -1.381 1.00 0.00 H new ATOM 0 HG13 ILE A 122 5.441 2.211 -2.482 1.00 0.00 H new ATOM 0 HG21 ILE A 122 5.709 -1.032 -0.687 1.00 0.00 H new ATOM 0 HG22 ILE A 122 5.214 -1.963 -2.121 1.00 0.00 H new ATOM 0 HG23 ILE A 122 6.689 -0.967 -2.171 1.00 0.00 H new ATOM 0 HD11 ILE A 122 5.076 2.916 -0.167 1.00 0.00 H new ATOM 0 HD12 ILE A 122 3.599 2.183 -0.836 1.00 0.00 H new ATOM 0 HD13 ILE A 122 4.626 1.254 0.282 1.00 0.00 H new ATOM 2079 N ALA A 123 6.017 2.118 -4.514 1.00 0.00 N ATOM 2080 CA ALA A 123 7.141 2.861 -5.068 1.00 0.00 C ATOM 2081 C ALA A 123 7.605 3.970 -4.127 1.00 0.00 C ATOM 2082 O ALA A 123 6.859 4.423 -3.259 1.00 0.00 O ATOM 2083 CB ALA A 123 6.766 3.441 -6.423 1.00 0.00 C ATOM 0 H ALA A 123 5.224 2.698 -4.238 1.00 0.00 H new ATOM 0 HA ALA A 123 7.972 2.166 -5.191 1.00 0.00 H new ATOM 0 HB1 ALA A 123 7.613 3.995 -6.829 1.00 0.00 H new ATOM 0 HB2 ALA A 123 6.501 2.632 -7.104 1.00 0.00 H new ATOM 0 HB3 ALA A 123 5.915 4.112 -6.308 1.00 0.00 H new ATOM 2089 N LEU A 124 8.849 4.400 -4.317 1.00 0.00 N ATOM 2090 CA LEU A 124 9.441 5.454 -3.506 1.00 0.00 C ATOM 2091 C LEU A 124 9.417 6.782 -4.253 1.00 0.00 C ATOM 2092 O LEU A 124 9.917 6.881 -5.374 1.00 0.00 O ATOM 2093 CB LEU A 124 10.884 5.094 -3.145 1.00 0.00 C ATOM 2094 CG LEU A 124 11.042 4.121 -1.976 1.00 0.00 C ATOM 2095 CD1 LEU A 124 10.453 4.714 -0.708 1.00 0.00 C ATOM 2096 CD2 LEU A 124 10.387 2.787 -2.296 1.00 0.00 C ATOM 0 H LEU A 124 9.471 4.028 -5.035 1.00 0.00 H new ATOM 0 HA LEU A 124 8.855 5.553 -2.592 1.00 0.00 H new ATOM 0 HB2 LEU A 124 11.364 4.662 -4.023 1.00 0.00 H new ATOM 0 HB3 LEU A 124 11.421 6.012 -2.907 1.00 0.00 H new ATOM 0 HG LEU A 124 12.106 3.949 -1.814 1.00 0.00 H new ATOM 0 HD11 LEU A 124 10.574 4.008 0.114 1.00 0.00 H new ATOM 0 HD12 LEU A 124 10.969 5.643 -0.467 1.00 0.00 H new ATOM 0 HD13 LEU A 124 9.393 4.916 -0.859 1.00 0.00 H new ATOM 0 HD21 LEU A 124 10.511 2.109 -1.451 1.00 0.00 H new ATOM 0 HD22 LEU A 124 9.325 2.940 -2.486 1.00 0.00 H new ATOM 0 HD23 LEU A 124 10.855 2.354 -3.180 1.00 0.00 H new ATOM 2108 N ALA A 125 8.833 7.798 -3.633 1.00 0.00 N ATOM 2109 CA ALA A 125 8.745 9.114 -4.247 1.00 0.00 C ATOM 2110 C ALA A 125 9.840 10.039 -3.725 1.00 0.00 C ATOM 2111 O ALA A 125 10.276 9.917 -2.580 1.00 0.00 O ATOM 2112 CB ALA A 125 7.373 9.716 -3.993 1.00 0.00 C ATOM 0 H ALA A 125 8.413 7.735 -2.705 1.00 0.00 H new ATOM 0 HA ALA A 125 8.889 9.001 -5.322 1.00 0.00 H new ATOM 0 HB1 ALA A 125 7.316 10.701 -4.456 1.00 0.00 H new ATOM 0 HB2 ALA A 125 6.607 9.069 -4.421 1.00 0.00 H new ATOM 0 HB3 ALA A 125 7.210 9.810 -2.919 1.00 0.00 H new ATOM 2118 N LYS A 126 10.278 10.964 -4.573 1.00 0.00 N ATOM 2119 CA LYS A 126 11.320 11.913 -4.198 1.00 0.00 C ATOM 2120 C LYS A 126 10.835 13.350 -4.372 1.00 0.00 C ATOM 2121 O LYS A 126 9.974 13.628 -5.205 1.00 0.00 O ATOM 2122 CB LYS A 126 12.579 11.681 -5.037 1.00 0.00 C ATOM 2123 CG LYS A 126 12.333 11.727 -6.536 1.00 0.00 C ATOM 2124 CD LYS A 126 12.680 13.088 -7.117 1.00 0.00 C ATOM 2125 CE LYS A 126 13.132 12.976 -8.565 1.00 0.00 C ATOM 2126 NZ LYS A 126 14.489 12.373 -8.677 1.00 0.00 N ATOM 0 H LYS A 126 9.928 11.077 -5.524 1.00 0.00 H new ATOM 0 HA LYS A 126 11.560 11.754 -3.147 1.00 0.00 H new ATOM 0 HB2 LYS A 126 13.322 12.435 -4.777 1.00 0.00 H new ATOM 0 HB3 LYS A 126 13.004 10.711 -4.777 1.00 0.00 H new ATOM 0 HG2 LYS A 126 12.929 10.958 -7.027 1.00 0.00 H new ATOM 0 HG3 LYS A 126 11.287 11.499 -6.741 1.00 0.00 H new ATOM 0 HD2 LYS A 126 11.811 13.743 -7.055 1.00 0.00 H new ATOM 0 HD3 LYS A 126 13.469 13.548 -6.523 1.00 0.00 H new ATOM 0 HE2 LYS A 126 12.418 12.370 -9.123 1.00 0.00 H new ATOM 0 HE3 LYS A 126 13.135 13.966 -9.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 15.143 13.065 -9.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 14.829 12.104 -7.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 14.445 11.528 -9.282 1.00 0.00 H new ATOM 2140 N GLY A 127 11.396 14.258 -3.578 1.00 0.00 N ATOM 2141 CA GLY A 127 11.008 15.655 -3.658 1.00 0.00 C ATOM 2142 C GLY A 127 11.186 16.232 -5.048 1.00 0.00 C ATOM 2143 O GLY A 127 12.312 16.461 -5.493 1.00 0.00 O ATOM 0 H GLY A 127 12.112 14.051 -2.881 1.00 0.00 H new ATOM 0 HA2 GLY A 127 9.965 15.756 -3.358 1.00 0.00 H new ATOM 0 HA3 GLY A 127 11.601 16.234 -2.950 1.00 0.00 H new