USER MOD reduce.3.24.130724 H: found=0, std=0, add=645, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 645 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 77 SER OG : rot 94:sc= 1.18 USER MOD Set 1.2: A 86 SER OG : rot 180:sc= 1.01 USER MOD Set 2.1: A 56 GLN : amide:sc= -0.0993 K(o=0.0068,f=-1.7!) USER MOD Set 2.2: A 61 CYS SG : rot 42:sc= 0.106 USER MOD Set 3.1: A 53 SER OG : rot 133:sc= 1.14 USER MOD Set 3.2: A 66 HIS : no HE2:sc= 0.259 K(o=1.4,f=-3.6) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -1.22 K(o=-1.2,f=-6.1!) USER MOD Single : A 20 MET CE :methyl 176:sc= -1.36 (180deg=-1.4) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc=-0.00106 X(o=-0.0011,f=0) USER MOD Single : A 29 CYS SG : rot -104:sc= -1.07 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 161:sc= -0.0252 (180deg=-0.234) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ -159:sc=-0.00861 (180deg=-0.546) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= -0.904 K(o=-0.9,f=-2.8!) USER MOD Single : A 70 MET CE :methyl -178:sc= -2.66 (180deg=-2.71) USER MOD Single : A 73 ASN : amide:sc= -0.127 K(o=-0.13,f=-8.8!) USER MOD Single : A 76 TYR OH : rot -27:sc= 0.7 USER MOD Single : A 78 CYS SG : rot 114:sc= -1.2 USER MOD Single : A 80 CYS SG : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= 0 K(o=0,f=-2.3!) USER MOD Single : A 85 THR OG1 : rot 140:sc= -0.18 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N ALA A 8 8.056 16.157 -3.319 1.00 0.00 N ATOM 67 CA ALA A 8 7.067 16.055 -2.253 1.00 0.00 C ATOM 68 C ALA A 8 7.547 15.123 -1.146 1.00 0.00 C ATOM 69 O ALA A 8 8.095 14.054 -1.416 1.00 0.00 O ATOM 70 CB ALA A 8 5.737 15.572 -2.812 1.00 0.00 C ATOM 0 HA ALA A 8 6.929 17.047 -1.823 1.00 0.00 H new ATOM 0 HB1 ALA A 8 5.008 15.500 -2.005 1.00 0.00 H new ATOM 0 HB2 ALA A 8 5.380 16.277 -3.562 1.00 0.00 H new ATOM 0 HB3 ALA A 8 5.869 14.592 -3.270 1.00 0.00 H new ATOM 76 N ARG A 9 7.339 15.536 0.100 1.00 0.00 N ATOM 77 CA ARG A 9 7.753 14.738 1.248 1.00 0.00 C ATOM 78 C ARG A 9 6.556 14.036 1.883 1.00 0.00 C ATOM 79 O ARG A 9 5.438 14.552 1.861 1.00 0.00 O ATOM 80 CB ARG A 9 8.449 15.621 2.285 1.00 0.00 C ATOM 81 CG ARG A 9 7.554 16.707 2.859 1.00 0.00 C ATOM 82 CD ARG A 9 8.144 17.302 4.129 1.00 0.00 C ATOM 83 NE ARG A 9 7.477 18.543 4.512 1.00 0.00 N ATOM 84 CZ ARG A 9 7.748 19.722 3.963 1.00 0.00 C ATOM 85 NH1 ARG A 9 8.666 19.819 3.012 1.00 0.00 N ATOM 86 NH2 ARG A 9 7.099 20.807 4.366 1.00 0.00 N ATOM 0 H ARG A 9 6.887 16.418 0.340 1.00 0.00 H new ATOM 0 HA ARG A 9 8.453 13.979 0.898 1.00 0.00 H new ATOM 0 HB2 ARG A 9 8.812 14.994 3.099 1.00 0.00 H new ATOM 0 HB3 ARG A 9 9.322 16.086 1.827 1.00 0.00 H new ATOM 0 HG2 ARG A 9 7.414 17.494 2.118 1.00 0.00 H new ATOM 0 HG3 ARG A 9 6.569 16.293 3.074 1.00 0.00 H new ATOM 0 HD2 ARG A 9 8.060 16.580 4.941 1.00 0.00 H new ATOM 0 HD3 ARG A 9 9.207 17.492 3.980 1.00 0.00 H new ATOM 0 HE ARG A 9 6.764 18.503 5.241 1.00 0.00 H new ATOM 0 HH11 ARG A 9 9.167 18.987 2.700 1.00 0.00 H new ATOM 0 HH12 ARG A 9 8.872 20.726 2.592 1.00 0.00 H new ATOM 0 HH21 ARG A 9 6.392 20.736 5.098 1.00 0.00 H new ATOM 0 HH22 ARG A 9 7.307 21.712 3.944 1.00 0.00 H new ATOM 100 N PHE A 10 6.798 12.858 2.447 1.00 0.00 N ATOM 101 CA PHE A 10 5.740 12.085 3.087 1.00 0.00 C ATOM 102 C PHE A 10 5.294 12.746 4.387 1.00 0.00 C ATOM 103 O PHE A 10 6.048 12.805 5.359 1.00 0.00 O ATOM 104 CB PHE A 10 6.219 10.658 3.365 1.00 0.00 C ATOM 105 CG PHE A 10 6.373 9.825 2.125 1.00 0.00 C ATOM 106 CD1 PHE A 10 5.266 9.262 1.511 1.00 0.00 C ATOM 107 CD2 PHE A 10 7.624 9.605 1.572 1.00 0.00 C ATOM 108 CE1 PHE A 10 5.405 8.494 0.370 1.00 0.00 C ATOM 109 CE2 PHE A 10 7.770 8.839 0.431 1.00 0.00 C ATOM 110 CZ PHE A 10 6.658 8.284 -0.171 1.00 0.00 C ATOM 0 H PHE A 10 7.718 12.417 2.474 1.00 0.00 H new ATOM 0 HA PHE A 10 4.888 12.049 2.408 1.00 0.00 H new ATOM 0 HB2 PHE A 10 7.175 10.699 3.886 1.00 0.00 H new ATOM 0 HB3 PHE A 10 5.512 10.170 4.035 1.00 0.00 H new ATOM 0 HD1 PHE A 10 4.283 9.425 1.928 1.00 0.00 H new ATOM 0 HD2 PHE A 10 8.497 10.038 2.039 1.00 0.00 H new ATOM 0 HE1 PHE A 10 4.534 8.059 -0.098 1.00 0.00 H new ATOM 0 HE2 PHE A 10 8.751 8.675 0.011 1.00 0.00 H new ATOM 0 HZ PHE A 10 6.768 7.686 -1.064 1.00 0.00 H new ATOM 120 N THR A 11 4.061 13.243 4.399 1.00 0.00 N ATOM 121 CA THR A 11 3.513 13.902 5.577 1.00 0.00 C ATOM 122 C THR A 11 2.671 12.938 6.405 1.00 0.00 C ATOM 123 O THR A 11 2.567 13.079 7.623 1.00 0.00 O ATOM 124 CB THR A 11 2.650 15.118 5.192 1.00 0.00 C ATOM 125 OG1 THR A 11 2.222 15.809 6.370 1.00 0.00 O ATOM 126 CG2 THR A 11 1.436 14.685 4.383 1.00 0.00 C ATOM 0 H THR A 11 3.423 13.201 3.605 1.00 0.00 H new ATOM 0 HA THR A 11 4.361 14.242 6.171 1.00 0.00 H new ATOM 0 HB THR A 11 3.256 15.786 4.580 1.00 0.00 H new ATOM 0 HG1 THR A 11 1.675 16.581 6.116 1.00 0.00 H new ATOM 0 HG21 THR A 11 0.841 15.561 4.122 1.00 0.00 H new ATOM 0 HG22 THR A 11 1.765 14.186 3.472 1.00 0.00 H new ATOM 0 HG23 THR A 11 0.831 13.998 4.975 1.00 0.00 H new ATOM 134 N GLU A 12 2.074 11.957 5.735 1.00 0.00 N ATOM 135 CA GLU A 12 1.241 10.969 6.411 1.00 0.00 C ATOM 136 C GLU A 12 1.999 9.659 6.604 1.00 0.00 C ATOM 137 O GLU A 12 1.736 8.909 7.543 1.00 0.00 O ATOM 138 CB GLU A 12 -0.040 10.717 5.612 1.00 0.00 C ATOM 139 CG GLU A 12 -1.196 10.210 6.459 1.00 0.00 C ATOM 140 CD GLU A 12 -2.324 9.638 5.623 1.00 0.00 C ATOM 141 OE1 GLU A 12 -2.126 8.566 5.013 1.00 0.00 O ATOM 142 OE2 GLU A 12 -3.405 10.262 5.580 1.00 0.00 O ATOM 0 H GLU A 12 2.151 11.825 4.727 1.00 0.00 H new ATOM 0 HA GLU A 12 0.977 11.364 7.392 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -0.339 11.643 5.120 1.00 0.00 H new ATOM 0 HB3 GLU A 12 0.169 9.991 4.826 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -0.831 9.444 7.144 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -1.580 11.027 7.070 1.00 0.00 H new ATOM 149 N GLY A 13 2.941 9.389 5.705 1.00 0.00 N ATOM 150 CA GLY A 13 3.723 8.169 5.793 1.00 0.00 C ATOM 151 C GLY A 13 2.902 6.932 5.486 1.00 0.00 C ATOM 152 O GLY A 13 1.686 6.920 5.682 1.00 0.00 O ATOM 0 H GLY A 13 3.177 9.993 4.918 1.00 0.00 H new ATOM 0 HA2 GLY A 13 4.561 8.227 5.098 1.00 0.00 H new ATOM 0 HA3 GLY A 13 4.145 8.082 6.794 1.00 0.00 H new ATOM 156 N LEU A 14 3.567 5.888 5.003 1.00 0.00 N ATOM 157 CA LEU A 14 2.892 4.640 4.667 1.00 0.00 C ATOM 158 C LEU A 14 3.002 3.636 5.810 1.00 0.00 C ATOM 159 O LEU A 14 4.073 3.084 6.063 1.00 0.00 O ATOM 160 CB LEU A 14 3.486 4.043 3.390 1.00 0.00 C ATOM 161 CG LEU A 14 3.129 2.585 3.101 1.00 0.00 C ATOM 162 CD1 LEU A 14 1.621 2.390 3.129 1.00 0.00 C ATOM 163 CD2 LEU A 14 3.699 2.152 1.758 1.00 0.00 C ATOM 0 H LEU A 14 4.573 5.881 4.835 1.00 0.00 H new ATOM 0 HA LEU A 14 1.837 4.860 4.501 1.00 0.00 H new ATOM 0 HB2 LEU A 14 3.162 4.650 2.544 1.00 0.00 H new ATOM 0 HB3 LEU A 14 4.571 4.126 3.445 1.00 0.00 H new ATOM 0 HG LEU A 14 3.571 1.962 3.879 1.00 0.00 H new ATOM 0 HD11 LEU A 14 1.385 1.346 2.921 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.237 2.660 4.113 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.158 3.024 2.373 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.435 1.111 1.569 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.287 2.780 0.968 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.784 2.254 1.773 1.00 0.00 H new ATOM 175 N ARG A 15 1.887 3.403 6.495 1.00 0.00 N ATOM 176 CA ARG A 15 1.858 2.464 7.610 1.00 0.00 C ATOM 177 C ARG A 15 1.614 1.041 7.117 1.00 0.00 C ATOM 178 O ARG A 15 1.083 0.834 6.027 1.00 0.00 O ATOM 179 CB ARG A 15 0.772 2.862 8.611 1.00 0.00 C ATOM 180 CG ARG A 15 0.343 1.728 9.528 1.00 0.00 C ATOM 181 CD ARG A 15 -0.492 2.237 10.692 1.00 0.00 C ATOM 182 NE ARG A 15 -0.335 1.407 11.883 1.00 0.00 N ATOM 183 CZ ARG A 15 -1.110 1.509 12.957 1.00 0.00 C ATOM 184 NH1 ARG A 15 -2.090 2.401 12.989 1.00 0.00 N ATOM 185 NH2 ARG A 15 -0.905 0.717 14.002 1.00 0.00 N ATOM 0 H ARG A 15 0.992 3.851 6.297 1.00 0.00 H new ATOM 0 HA ARG A 15 2.829 2.497 8.105 1.00 0.00 H new ATOM 0 HB2 ARG A 15 1.136 3.691 9.218 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -0.098 3.225 8.065 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -0.231 0.997 8.959 1.00 0.00 H new ATOM 0 HG3 ARG A 15 1.225 1.214 9.909 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -0.203 3.262 10.924 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -1.542 2.260 10.402 1.00 0.00 H new ATOM 0 HE ARG A 15 0.410 0.711 11.891 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -2.251 3.011 12.188 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -2.684 2.477 13.815 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -0.152 0.029 13.981 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -1.501 0.796 14.826 1.00 0.00 H new ATOM 199 N ASN A 16 2.005 0.064 7.929 1.00 0.00 N ATOM 200 CA ASN A 16 1.830 -1.340 7.574 1.00 0.00 C ATOM 201 C ASN A 16 0.349 -1.703 7.506 1.00 0.00 C ATOM 202 O ASN A 16 -0.518 -0.845 7.668 1.00 0.00 O ATOM 203 CB ASN A 16 2.540 -2.237 8.591 1.00 0.00 C ATOM 204 CG ASN A 16 1.789 -2.328 9.905 1.00 0.00 C ATOM 205 OD1 ASN A 16 0.662 -2.821 9.956 1.00 0.00 O ATOM 206 ND2 ASN A 16 2.412 -1.852 10.977 1.00 0.00 N ATOM 0 H ASN A 16 2.445 0.218 8.836 1.00 0.00 H new ATOM 0 HA ASN A 16 2.271 -1.498 6.590 1.00 0.00 H new ATOM 0 HB2 ASN A 16 2.655 -3.236 8.172 1.00 0.00 H new ATOM 0 HB3 ASN A 16 3.543 -1.851 8.775 1.00 0.00 H new ATOM 0 HD21 ASN A 16 1.956 -1.886 11.889 1.00 0.00 H new ATOM 0 HD22 ASN A 16 3.346 -1.452 10.888 1.00 0.00 H new ATOM 213 N GLU A 17 0.069 -2.980 7.266 1.00 0.00 N ATOM 214 CA GLU A 17 -1.306 -3.456 7.176 1.00 0.00 C ATOM 215 C GLU A 17 -1.403 -4.922 7.588 1.00 0.00 C ATOM 216 O GLU A 17 -0.417 -5.523 8.014 1.00 0.00 O ATOM 217 CB GLU A 17 -1.839 -3.278 5.753 1.00 0.00 C ATOM 218 CG GLU A 17 -2.506 -1.933 5.516 1.00 0.00 C ATOM 219 CD GLU A 17 -3.687 -1.697 6.437 1.00 0.00 C ATOM 220 OE1 GLU A 17 -4.539 -2.602 6.552 1.00 0.00 O ATOM 221 OE2 GLU A 17 -3.759 -0.607 7.043 1.00 0.00 O ATOM 0 H GLU A 17 0.776 -3.703 7.130 1.00 0.00 H new ATOM 0 HA GLU A 17 -1.914 -2.864 7.860 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.016 -3.395 5.048 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -2.555 -4.072 5.540 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.774 -1.138 5.659 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.841 -1.875 4.480 1.00 0.00 H new ATOM 228 N GLU A 18 -2.598 -5.490 7.456 1.00 0.00 N ATOM 229 CA GLU A 18 -2.823 -6.885 7.816 1.00 0.00 C ATOM 230 C GLU A 18 -4.125 -7.400 7.209 1.00 0.00 C ATOM 231 O GLU A 18 -5.174 -6.768 7.336 1.00 0.00 O ATOM 232 CB GLU A 18 -2.859 -7.043 9.337 1.00 0.00 C ATOM 233 CG GLU A 18 -3.045 -8.480 9.796 1.00 0.00 C ATOM 234 CD GLU A 18 -3.189 -8.599 11.301 1.00 0.00 C ATOM 235 OE1 GLU A 18 -2.452 -7.896 12.024 1.00 0.00 O ATOM 236 OE2 GLU A 18 -4.038 -9.394 11.755 1.00 0.00 O ATOM 0 H GLU A 18 -3.424 -5.006 7.103 1.00 0.00 H new ATOM 0 HA GLU A 18 -1.998 -7.474 7.416 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -1.931 -6.654 9.756 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -3.670 -6.435 9.738 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -3.930 -8.899 9.316 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -2.193 -9.075 9.468 1.00 0.00 H new ATOM 243 N ALA A 19 -4.049 -8.551 6.549 1.00 0.00 N ATOM 244 CA ALA A 19 -5.220 -9.152 5.923 1.00 0.00 C ATOM 245 C ALA A 19 -5.068 -10.665 5.812 1.00 0.00 C ATOM 246 O ALA A 19 -3.957 -11.192 5.866 1.00 0.00 O ATOM 247 CB ALA A 19 -5.457 -8.541 4.550 1.00 0.00 C ATOM 0 H ALA A 19 -3.188 -9.086 6.434 1.00 0.00 H new ATOM 0 HA ALA A 19 -6.084 -8.946 6.554 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -6.335 -8.999 4.094 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -5.620 -7.468 4.652 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.586 -8.717 3.918 1.00 0.00 H new ATOM 253 N MET A 20 -6.191 -11.358 5.657 1.00 0.00 N ATOM 254 CA MET A 20 -6.181 -12.812 5.537 1.00 0.00 C ATOM 255 C MET A 20 -5.799 -13.238 4.123 1.00 0.00 C ATOM 256 O MET A 20 -5.950 -12.472 3.173 1.00 0.00 O ATOM 257 CB MET A 20 -7.551 -13.384 5.903 1.00 0.00 C ATOM 258 CG MET A 20 -7.769 -13.532 7.400 1.00 0.00 C ATOM 259 SD MET A 20 -8.884 -14.888 7.810 1.00 0.00 S ATOM 260 CE MET A 20 -7.716 -16.223 8.059 1.00 0.00 C ATOM 0 H MET A 20 -7.119 -10.937 5.612 1.00 0.00 H new ATOM 0 HA MET A 20 -5.436 -13.204 6.229 1.00 0.00 H new ATOM 0 HB2 MET A 20 -8.327 -12.737 5.494 1.00 0.00 H new ATOM 0 HB3 MET A 20 -7.667 -14.359 5.429 1.00 0.00 H new ATOM 0 HG2 MET A 20 -6.809 -13.697 7.888 1.00 0.00 H new ATOM 0 HG3 MET A 20 -8.174 -12.601 7.798 1.00 0.00 H new ATOM 0 HE1 MET A 20 -8.248 -17.115 8.389 1.00 0.00 H new ATOM 0 HE2 MET A 20 -7.200 -16.434 7.123 1.00 0.00 H new ATOM 0 HE3 MET A 20 -6.988 -15.933 8.817 1.00 0.00 H new ATOM 270 N GLU A 21 -5.304 -14.465 3.994 1.00 0.00 N ATOM 271 CA GLU A 21 -4.900 -14.992 2.695 1.00 0.00 C ATOM 272 C GLU A 21 -6.081 -15.023 1.729 1.00 0.00 C ATOM 273 O GLU A 21 -7.208 -15.326 2.119 1.00 0.00 O ATOM 274 CB GLU A 21 -4.315 -16.397 2.849 1.00 0.00 C ATOM 275 CG GLU A 21 -4.403 -17.235 1.585 1.00 0.00 C ATOM 276 CD GLU A 21 -3.773 -18.605 1.747 1.00 0.00 C ATOM 277 OE1 GLU A 21 -2.531 -18.678 1.858 1.00 0.00 O ATOM 278 OE2 GLU A 21 -4.522 -19.604 1.764 1.00 0.00 O ATOM 0 H GLU A 21 -5.173 -15.112 4.772 1.00 0.00 H new ATOM 0 HA GLU A 21 -4.136 -14.332 2.286 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -3.270 -16.315 3.149 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -4.838 -16.913 3.654 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -5.449 -17.352 1.303 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -3.910 -16.707 0.769 1.00 0.00 H new ATOM 285 N GLY A 22 -5.814 -14.707 0.466 1.00 0.00 N ATOM 286 CA GLY A 22 -6.863 -14.704 -0.536 1.00 0.00 C ATOM 287 C GLY A 22 -7.680 -13.427 -0.516 1.00 0.00 C ATOM 288 O GLY A 22 -8.405 -13.132 -1.466 1.00 0.00 O ATOM 0 H GLY A 22 -4.889 -14.453 0.119 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -6.419 -14.832 -1.523 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -7.522 -15.556 -0.370 1.00 0.00 H new ATOM 292 N ALA A 23 -7.565 -12.670 0.569 1.00 0.00 N ATOM 293 CA ALA A 23 -8.298 -11.418 0.708 1.00 0.00 C ATOM 294 C ALA A 23 -7.703 -10.331 -0.180 1.00 0.00 C ATOM 295 O ALA A 23 -6.774 -10.582 -0.949 1.00 0.00 O ATOM 296 CB ALA A 23 -8.305 -10.969 2.162 1.00 0.00 C ATOM 0 H ALA A 23 -6.971 -12.902 1.365 1.00 0.00 H new ATOM 0 HA ALA A 23 -9.325 -11.590 0.387 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.856 -10.033 2.251 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -8.784 -11.732 2.776 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -7.280 -10.821 2.502 1.00 0.00 H new ATOM 302 N THR A 24 -8.244 -9.121 -0.071 1.00 0.00 N ATOM 303 CA THR A 24 -7.767 -7.996 -0.865 1.00 0.00 C ATOM 304 C THR A 24 -7.081 -6.955 0.011 1.00 0.00 C ATOM 305 O THR A 24 -7.741 -6.159 0.679 1.00 0.00 O ATOM 306 CB THR A 24 -8.920 -7.324 -1.635 1.00 0.00 C ATOM 307 OG1 THR A 24 -9.637 -8.301 -2.396 1.00 0.00 O ATOM 308 CG2 THR A 24 -8.392 -6.239 -2.562 1.00 0.00 C ATOM 0 H THR A 24 -9.013 -8.896 0.560 1.00 0.00 H new ATOM 0 HA THR A 24 -7.047 -8.396 -1.579 1.00 0.00 H new ATOM 0 HB THR A 24 -9.592 -6.865 -0.910 1.00 0.00 H new ATOM 0 HG1 THR A 24 -10.369 -7.865 -2.881 1.00 0.00 H new ATOM 0 HG21 THR A 24 -9.224 -5.779 -3.095 1.00 0.00 H new ATOM 0 HG22 THR A 24 -7.873 -5.481 -1.976 1.00 0.00 H new ATOM 0 HG23 THR A 24 -7.700 -6.679 -3.280 1.00 0.00 H new ATOM 316 N ALA A 25 -5.752 -6.966 0.005 1.00 0.00 N ATOM 317 CA ALA A 25 -4.976 -6.020 0.797 1.00 0.00 C ATOM 318 C ALA A 25 -5.239 -4.586 0.353 1.00 0.00 C ATOM 319 O ALA A 25 -5.491 -4.325 -0.825 1.00 0.00 O ATOM 320 CB ALA A 25 -3.492 -6.342 0.700 1.00 0.00 C ATOM 0 H ALA A 25 -5.190 -7.620 -0.540 1.00 0.00 H new ATOM 0 HA ALA A 25 -5.289 -6.113 1.837 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -2.925 -5.627 1.296 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.313 -7.350 1.074 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -3.173 -6.280 -0.341 1.00 0.00 H new ATOM 326 N THR A 26 -5.179 -3.656 1.301 1.00 0.00 N ATOM 327 CA THR A 26 -5.413 -2.248 1.008 1.00 0.00 C ATOM 328 C THR A 26 -4.515 -1.354 1.855 1.00 0.00 C ATOM 329 O THR A 26 -4.729 -1.204 3.059 1.00 0.00 O ATOM 330 CB THR A 26 -6.883 -1.859 1.251 1.00 0.00 C ATOM 331 OG1 THR A 26 -7.746 -2.689 0.465 1.00 0.00 O ATOM 332 CG2 THR A 26 -7.121 -0.398 0.904 1.00 0.00 C ATOM 0 H THR A 26 -4.970 -3.853 2.280 1.00 0.00 H new ATOM 0 HA THR A 26 -5.177 -2.101 -0.046 1.00 0.00 H new ATOM 0 HB THR A 26 -7.104 -2.005 2.308 1.00 0.00 H new ATOM 0 HG1 THR A 26 -8.679 -2.436 0.626 1.00 0.00 H new ATOM 0 HG21 THR A 26 -8.166 -0.147 1.084 1.00 0.00 H new ATOM 0 HG22 THR A 26 -6.484 0.232 1.525 1.00 0.00 H new ATOM 0 HG23 THR A 26 -6.883 -0.230 -0.146 1.00 0.00 H new ATOM 340 N LEU A 27 -3.511 -0.760 1.220 1.00 0.00 N ATOM 341 CA LEU A 27 -2.580 0.122 1.917 1.00 0.00 C ATOM 342 C LEU A 27 -2.982 1.583 1.745 1.00 0.00 C ATOM 343 O LEU A 27 -3.741 1.925 0.839 1.00 0.00 O ATOM 344 CB LEU A 27 -1.158 -0.092 1.396 1.00 0.00 C ATOM 345 CG LEU A 27 -0.617 -1.520 1.485 1.00 0.00 C ATOM 346 CD1 LEU A 27 0.652 -1.663 0.660 1.00 0.00 C ATOM 347 CD2 LEU A 27 -0.359 -1.902 2.935 1.00 0.00 C ATOM 0 H LEU A 27 -3.320 -0.873 0.224 1.00 0.00 H new ATOM 0 HA LEU A 27 -2.612 -0.122 2.979 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.123 0.224 0.353 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.487 0.564 1.950 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.367 -2.199 1.079 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.022 -2.686 0.736 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.436 -1.432 -0.383 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.409 -0.975 1.035 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.026 -2.921 2.980 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.372 -1.219 3.367 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.290 -1.840 3.499 1.00 0.00 H new ATOM 359 N GLN A 28 -2.467 2.440 2.621 1.00 0.00 N ATOM 360 CA GLN A 28 -2.772 3.864 2.565 1.00 0.00 C ATOM 361 C GLN A 28 -1.528 4.699 2.848 1.00 0.00 C ATOM 362 O GLN A 28 -0.704 4.337 3.689 1.00 0.00 O ATOM 363 CB GLN A 28 -3.873 4.212 3.569 1.00 0.00 C ATOM 364 CG GLN A 28 -4.673 5.448 3.191 1.00 0.00 C ATOM 365 CD GLN A 28 -5.819 5.716 4.147 1.00 0.00 C ATOM 366 OE1 GLN A 28 -5.621 5.827 5.357 1.00 0.00 O ATOM 367 NE2 GLN A 28 -7.028 5.822 3.607 1.00 0.00 N ATOM 0 H GLN A 28 -1.837 2.173 3.377 1.00 0.00 H new ATOM 0 HA GLN A 28 -3.121 4.095 1.559 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -4.552 3.364 3.660 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -3.423 4.367 4.550 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -4.010 6.313 3.172 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -5.067 5.327 2.182 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -7.147 5.723 2.599 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -7.838 6.002 4.201 1.00 0.00 H new ATOM 376 N CYS A 29 -1.398 5.816 2.142 1.00 0.00 N ATOM 377 CA CYS A 29 -0.252 6.702 2.316 1.00 0.00 C ATOM 378 C CYS A 29 -0.441 7.996 1.531 1.00 0.00 C ATOM 379 O CYS A 29 -0.741 7.971 0.338 1.00 0.00 O ATOM 380 CB CYS A 29 1.033 6.003 1.870 1.00 0.00 C ATOM 381 SG CYS A 29 1.220 5.878 0.076 1.00 0.00 S ATOM 0 H CYS A 29 -2.072 6.130 1.444 1.00 0.00 H new ATOM 0 HA CYS A 29 -0.173 6.949 3.375 1.00 0.00 H new ATOM 0 HB2 CYS A 29 1.888 6.543 2.277 1.00 0.00 H new ATOM 0 HB3 CYS A 29 1.056 5.001 2.298 1.00 0.00 H new ATOM 0 HG CYS A 29 0.967 4.660 -0.303 1.00 0.00 H new ATOM 387 N GLU A 30 -0.265 9.126 2.210 1.00 0.00 N ATOM 388 CA GLU A 30 -0.419 10.429 1.576 1.00 0.00 C ATOM 389 C GLU A 30 0.892 11.210 1.612 1.00 0.00 C ATOM 390 O GLU A 30 1.765 10.942 2.439 1.00 0.00 O ATOM 391 CB GLU A 30 -1.522 11.231 2.268 1.00 0.00 C ATOM 392 CG GLU A 30 -1.908 12.501 1.528 1.00 0.00 C ATOM 393 CD GLU A 30 -2.844 13.383 2.331 1.00 0.00 C ATOM 394 OE1 GLU A 30 -4.018 12.995 2.510 1.00 0.00 O ATOM 395 OE2 GLU A 30 -2.403 14.461 2.780 1.00 0.00 O ATOM 0 H GLU A 30 -0.016 9.164 3.198 1.00 0.00 H new ATOM 0 HA GLU A 30 -0.697 10.267 0.535 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -2.405 10.601 2.375 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -1.193 11.492 3.274 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -1.006 13.063 1.283 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -2.385 12.236 0.584 1.00 0.00 H new ATOM 402 N LEU A 31 1.023 12.177 0.711 1.00 0.00 N ATOM 403 CA LEU A 31 2.227 12.998 0.638 1.00 0.00 C ATOM 404 C LEU A 31 1.917 14.451 0.983 1.00 0.00 C ATOM 405 O LEU A 31 0.758 14.821 1.171 1.00 0.00 O ATOM 406 CB LEU A 31 2.842 12.914 -0.760 1.00 0.00 C ATOM 407 CG LEU A 31 3.431 11.558 -1.154 1.00 0.00 C ATOM 408 CD1 LEU A 31 3.375 11.370 -2.662 1.00 0.00 C ATOM 409 CD2 LEU A 31 4.861 11.432 -0.651 1.00 0.00 C ATOM 0 H LEU A 31 0.310 12.412 0.020 1.00 0.00 H new ATOM 0 HA LEU A 31 2.942 12.615 1.366 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.076 13.181 -1.489 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.629 13.665 -0.835 1.00 0.00 H new ATOM 0 HG LEU A 31 2.833 10.774 -0.689 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.798 10.400 -2.924 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.338 11.416 -2.996 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.948 12.159 -3.149 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.264 10.461 -0.940 1.00 0.00 H new ATOM 0 HD22 LEU A 31 5.471 12.223 -1.087 1.00 0.00 H new ATOM 0 HD23 LEU A 31 4.874 11.521 0.435 1.00 0.00 H new ATOM 421 N SER A 32 2.961 15.270 1.063 1.00 0.00 N ATOM 422 CA SER A 32 2.800 16.683 1.387 1.00 0.00 C ATOM 423 C SER A 32 2.114 17.427 0.245 1.00 0.00 C ATOM 424 O SER A 32 1.491 18.469 0.453 1.00 0.00 O ATOM 425 CB SER A 32 4.161 17.318 1.680 1.00 0.00 C ATOM 426 OG SER A 32 4.046 18.723 1.826 1.00 0.00 O ATOM 0 H SER A 32 3.927 14.980 0.908 1.00 0.00 H new ATOM 0 HA SER A 32 2.173 16.758 2.275 1.00 0.00 H new ATOM 0 HB2 SER A 32 4.579 16.887 2.590 1.00 0.00 H new ATOM 0 HB3 SER A 32 4.855 17.089 0.871 1.00 0.00 H new ATOM 0 HG SER A 32 4.928 19.106 2.014 1.00 0.00 H new ATOM 432 N LYS A 33 2.232 16.885 -0.962 1.00 0.00 N ATOM 433 CA LYS A 33 1.624 17.495 -2.138 1.00 0.00 C ATOM 434 C LYS A 33 1.588 16.511 -3.304 1.00 0.00 C ATOM 435 O LYS A 33 2.556 15.795 -3.553 1.00 0.00 O ATOM 436 CB LYS A 33 2.395 18.753 -2.543 1.00 0.00 C ATOM 437 CG LYS A 33 3.867 18.502 -2.819 1.00 0.00 C ATOM 438 CD LYS A 33 4.588 19.782 -3.208 1.00 0.00 C ATOM 439 CE LYS A 33 5.099 20.527 -1.984 1.00 0.00 C ATOM 440 NZ LYS A 33 6.241 19.821 -1.341 1.00 0.00 N ATOM 0 H LYS A 33 2.744 16.023 -1.152 1.00 0.00 H new ATOM 0 HA LYS A 33 0.600 17.770 -1.885 1.00 0.00 H new ATOM 0 HB2 LYS A 33 1.935 19.180 -3.434 1.00 0.00 H new ATOM 0 HB3 LYS A 33 2.304 19.496 -1.750 1.00 0.00 H new ATOM 0 HG2 LYS A 33 4.336 18.074 -1.933 1.00 0.00 H new ATOM 0 HG3 LYS A 33 3.968 17.769 -3.619 1.00 0.00 H new ATOM 0 HD2 LYS A 33 5.424 19.545 -3.866 1.00 0.00 H new ATOM 0 HD3 LYS A 33 3.912 20.425 -3.771 1.00 0.00 H new ATOM 0 HE2 LYS A 33 5.409 21.531 -2.274 1.00 0.00 H new ATOM 0 HE3 LYS A 33 4.289 20.639 -1.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 6.761 20.485 -0.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 5.882 19.032 -0.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 6.879 19.452 -2.075 1.00 0.00 H new ATOM 454 N ALA A 34 0.465 16.484 -4.015 1.00 0.00 N ATOM 455 CA ALA A 34 0.305 15.592 -5.156 1.00 0.00 C ATOM 456 C ALA A 34 1.625 15.407 -5.897 1.00 0.00 C ATOM 457 O ALA A 34 2.263 16.379 -6.300 1.00 0.00 O ATOM 458 CB ALA A 34 -0.762 16.127 -6.099 1.00 0.00 C ATOM 0 H ALA A 34 -0.347 17.070 -3.820 1.00 0.00 H new ATOM 0 HA ALA A 34 -0.012 14.618 -4.783 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.871 15.451 -6.947 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -1.712 16.201 -5.569 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -0.469 17.114 -6.458 1.00 0.00 H new ATOM 464 N ALA A 35 2.028 14.153 -6.073 1.00 0.00 N ATOM 465 CA ALA A 35 3.271 13.840 -6.767 1.00 0.00 C ATOM 466 C ALA A 35 3.270 12.403 -7.276 1.00 0.00 C ATOM 467 O ALA A 35 2.677 11.507 -6.675 1.00 0.00 O ATOM 468 CB ALA A 35 4.462 14.076 -5.850 1.00 0.00 C ATOM 0 H ALA A 35 1.512 13.337 -5.744 1.00 0.00 H new ATOM 0 HA ALA A 35 3.353 14.503 -7.629 1.00 0.00 H new ATOM 0 HB1 ALA A 35 5.383 13.838 -6.382 1.00 0.00 H new ATOM 0 HB2 ALA A 35 4.481 15.121 -5.540 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.376 13.438 -4.970 1.00 0.00 H new ATOM 474 N PRO A 36 3.948 12.175 -8.411 1.00 0.00 N ATOM 475 CA PRO A 36 4.040 10.848 -9.026 1.00 0.00 C ATOM 476 C PRO A 36 4.895 9.887 -8.207 1.00 0.00 C ATOM 477 O PRO A 36 6.078 10.138 -7.973 1.00 0.00 O ATOM 478 CB PRO A 36 4.698 11.128 -10.379 1.00 0.00 C ATOM 479 CG PRO A 36 5.467 12.387 -10.173 1.00 0.00 C ATOM 480 CD PRO A 36 4.678 13.197 -9.181 1.00 0.00 C ATOM 0 HA PRO A 36 3.065 10.367 -9.102 1.00 0.00 H new ATOM 0 HB2 PRO A 36 5.352 10.309 -10.678 1.00 0.00 H new ATOM 0 HB3 PRO A 36 3.952 11.244 -11.165 1.00 0.00 H new ATOM 0 HG2 PRO A 36 6.468 12.176 -9.796 1.00 0.00 H new ATOM 0 HG3 PRO A 36 5.587 12.929 -11.111 1.00 0.00 H new ATOM 0 HD2 PRO A 36 5.328 13.794 -8.541 1.00 0.00 H new ATOM 0 HD3 PRO A 36 3.997 13.889 -9.677 1.00 0.00 H new ATOM 488 N VAL A 37 4.290 8.786 -7.773 1.00 0.00 N ATOM 489 CA VAL A 37 4.997 7.787 -6.980 1.00 0.00 C ATOM 490 C VAL A 37 4.996 6.431 -7.678 1.00 0.00 C ATOM 491 O VAL A 37 4.427 6.279 -8.758 1.00 0.00 O ATOM 492 CB VAL A 37 4.370 7.633 -5.582 1.00 0.00 C ATOM 493 CG1 VAL A 37 4.434 8.949 -4.821 1.00 0.00 C ATOM 494 CG2 VAL A 37 2.936 7.140 -5.693 1.00 0.00 C ATOM 0 H VAL A 37 3.312 8.563 -7.957 1.00 0.00 H new ATOM 0 HA VAL A 37 6.024 8.137 -6.872 1.00 0.00 H new ATOM 0 HB VAL A 37 4.942 6.891 -5.025 1.00 0.00 H new ATOM 0 HG11 VAL A 37 3.986 8.821 -3.835 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.474 9.255 -4.710 1.00 0.00 H new ATOM 0 HG13 VAL A 37 3.887 9.715 -5.371 1.00 0.00 H new ATOM 0 HG21 VAL A 37 2.508 7.037 -4.696 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.348 7.856 -6.267 1.00 0.00 H new ATOM 0 HG23 VAL A 37 2.922 6.173 -6.196 1.00 0.00 H new ATOM 504 N GLU A 38 5.636 5.449 -7.051 1.00 0.00 N ATOM 505 CA GLU A 38 5.709 4.105 -7.613 1.00 0.00 C ATOM 506 C GLU A 38 5.850 3.061 -6.509 1.00 0.00 C ATOM 507 O GLU A 38 6.702 3.184 -5.629 1.00 0.00 O ATOM 508 CB GLU A 38 6.885 3.998 -8.586 1.00 0.00 C ATOM 509 CG GLU A 38 6.955 2.664 -9.311 1.00 0.00 C ATOM 510 CD GLU A 38 6.166 2.662 -10.605 1.00 0.00 C ATOM 511 OE1 GLU A 38 4.939 2.890 -10.551 1.00 0.00 O ATOM 512 OE2 GLU A 38 6.773 2.431 -11.671 1.00 0.00 O ATOM 0 H GLU A 38 6.111 5.558 -6.155 1.00 0.00 H new ATOM 0 HA GLU A 38 4.782 3.914 -8.154 1.00 0.00 H new ATOM 0 HB2 GLU A 38 6.811 4.799 -9.322 1.00 0.00 H new ATOM 0 HB3 GLU A 38 7.814 4.154 -8.038 1.00 0.00 H new ATOM 0 HG2 GLU A 38 7.997 2.425 -9.525 1.00 0.00 H new ATOM 0 HG3 GLU A 38 6.575 1.879 -8.657 1.00 0.00 H new ATOM 519 N TRP A 39 5.009 2.035 -6.563 1.00 0.00 N ATOM 520 CA TRP A 39 5.039 0.969 -5.567 1.00 0.00 C ATOM 521 C TRP A 39 5.949 -0.169 -6.016 1.00 0.00 C ATOM 522 O TRP A 39 5.996 -0.508 -7.198 1.00 0.00 O ATOM 523 CB TRP A 39 3.626 0.440 -5.314 1.00 0.00 C ATOM 524 CG TRP A 39 2.649 1.512 -4.939 1.00 0.00 C ATOM 525 CD1 TRP A 39 2.134 2.476 -5.759 1.00 0.00 C ATOM 526 CD2 TRP A 39 2.070 1.731 -3.647 1.00 0.00 C ATOM 527 NE1 TRP A 39 1.271 3.280 -5.055 1.00 0.00 N ATOM 528 CE2 TRP A 39 1.213 2.843 -3.758 1.00 0.00 C ATOM 529 CE3 TRP A 39 2.190 1.094 -2.410 1.00 0.00 C ATOM 530 CZ2 TRP A 39 0.484 3.331 -2.677 1.00 0.00 C ATOM 531 CZ3 TRP A 39 1.466 1.579 -1.337 1.00 0.00 C ATOM 532 CH2 TRP A 39 0.621 2.688 -1.476 1.00 0.00 C ATOM 0 H TRP A 39 4.298 1.918 -7.285 1.00 0.00 H new ATOM 0 HA TRP A 39 5.436 1.382 -4.640 1.00 0.00 H new ATOM 0 HB2 TRP A 39 3.270 -0.068 -6.210 1.00 0.00 H new ATOM 0 HB3 TRP A 39 3.661 -0.304 -4.518 1.00 0.00 H new ATOM 0 HD1 TRP A 39 2.371 2.589 -6.807 1.00 0.00 H new ATOM 0 HE1 TRP A 39 0.757 4.074 -5.436 1.00 0.00 H new ATOM 0 HE3 TRP A 39 2.837 0.237 -2.294 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -0.167 4.187 -2.782 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 1.553 1.095 -0.375 1.00 0.00 H new ATOM 0 HH2 TRP A 39 0.067 3.042 -0.619 1.00 0.00 H new ATOM 543 N ARG A 40 6.669 -0.755 -5.065 1.00 0.00 N ATOM 544 CA ARG A 40 7.578 -1.855 -5.364 1.00 0.00 C ATOM 545 C ARG A 40 7.577 -2.882 -4.236 1.00 0.00 C ATOM 546 O ARG A 40 7.702 -2.533 -3.062 1.00 0.00 O ATOM 547 CB ARG A 40 8.997 -1.326 -5.585 1.00 0.00 C ATOM 548 CG ARG A 40 9.150 -0.505 -6.855 1.00 0.00 C ATOM 549 CD ARG A 40 10.605 -0.148 -7.115 1.00 0.00 C ATOM 550 NE ARG A 40 11.476 -1.318 -7.044 1.00 0.00 N ATOM 551 CZ ARG A 40 12.784 -1.247 -6.823 1.00 0.00 C ATOM 552 NH1 ARG A 40 13.369 -0.069 -6.653 1.00 0.00 N ATOM 553 NH2 ARG A 40 13.511 -2.357 -6.772 1.00 0.00 N ATOM 0 H ARG A 40 6.641 -0.487 -4.081 1.00 0.00 H new ATOM 0 HA ARG A 40 7.233 -2.342 -6.276 1.00 0.00 H new ATOM 0 HB2 ARG A 40 9.285 -0.714 -4.730 1.00 0.00 H new ATOM 0 HB3 ARG A 40 9.688 -2.168 -5.621 1.00 0.00 H new ATOM 0 HG2 ARG A 40 8.755 -1.066 -7.702 1.00 0.00 H new ATOM 0 HG3 ARG A 40 8.559 0.407 -6.773 1.00 0.00 H new ATOM 0 HD2 ARG A 40 10.695 0.312 -8.099 1.00 0.00 H new ATOM 0 HD3 ARG A 40 10.933 0.593 -6.386 1.00 0.00 H new ATOM 0 HE ARG A 40 11.057 -2.239 -7.171 1.00 0.00 H new ATOM 0 HH11 ARG A 40 12.814 0.786 -6.692 1.00 0.00 H new ATOM 0 HH12 ARG A 40 14.374 -0.018 -6.483 1.00 0.00 H new ATOM 0 HH21 ARG A 40 13.065 -3.265 -6.903 1.00 0.00 H new ATOM 0 HH22 ARG A 40 14.515 -2.302 -6.602 1.00 0.00 H new ATOM 567 N LYS A 41 7.434 -4.152 -4.600 1.00 0.00 N ATOM 568 CA LYS A 41 7.416 -5.232 -3.621 1.00 0.00 C ATOM 569 C LYS A 41 8.834 -5.682 -3.282 1.00 0.00 C ATOM 570 O LYS A 41 9.749 -5.547 -4.093 1.00 0.00 O ATOM 571 CB LYS A 41 6.607 -6.418 -4.153 1.00 0.00 C ATOM 572 CG LYS A 41 5.929 -7.229 -3.062 1.00 0.00 C ATOM 573 CD LYS A 41 5.164 -8.408 -3.639 1.00 0.00 C ATOM 574 CE LYS A 41 6.059 -9.627 -3.802 1.00 0.00 C ATOM 575 NZ LYS A 41 5.281 -10.841 -4.175 1.00 0.00 N ATOM 0 H LYS A 41 7.329 -4.459 -5.567 1.00 0.00 H new ATOM 0 HA LYS A 41 6.945 -4.857 -2.712 1.00 0.00 H new ATOM 0 HB2 LYS A 41 5.849 -6.049 -4.844 1.00 0.00 H new ATOM 0 HB3 LYS A 41 7.268 -7.072 -4.723 1.00 0.00 H new ATOM 0 HG2 LYS A 41 6.678 -7.590 -2.357 1.00 0.00 H new ATOM 0 HG3 LYS A 41 5.246 -6.589 -2.503 1.00 0.00 H new ATOM 0 HD2 LYS A 41 4.327 -8.655 -2.986 1.00 0.00 H new ATOM 0 HD3 LYS A 41 4.743 -8.132 -4.606 1.00 0.00 H new ATOM 0 HE2 LYS A 41 6.809 -9.427 -4.567 1.00 0.00 H new ATOM 0 HE3 LYS A 41 6.595 -9.811 -2.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 5.927 -11.650 -4.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 4.582 -11.047 -3.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 4.790 -10.675 -5.077 1.00 0.00 H new ATOM 589 N GLY A 42 9.008 -6.219 -2.078 1.00 0.00 N ATOM 590 CA GLY A 42 10.316 -6.682 -1.654 1.00 0.00 C ATOM 591 C GLY A 42 11.095 -7.330 -2.782 1.00 0.00 C ATOM 592 O GLY A 42 10.708 -8.384 -3.289 1.00 0.00 O ATOM 0 H GLY A 42 8.266 -6.341 -1.389 1.00 0.00 H new ATOM 0 HA2 GLY A 42 10.886 -5.841 -1.260 1.00 0.00 H new ATOM 0 HA3 GLY A 42 10.199 -7.397 -0.840 1.00 0.00 H new ATOM 596 N LEU A 43 12.196 -6.699 -3.177 1.00 0.00 N ATOM 597 CA LEU A 43 13.031 -7.220 -4.254 1.00 0.00 C ATOM 598 C LEU A 43 12.209 -7.453 -5.517 1.00 0.00 C ATOM 599 O LEU A 43 12.409 -8.439 -6.225 1.00 0.00 O ATOM 600 CB LEU A 43 13.702 -8.524 -3.820 1.00 0.00 C ATOM 601 CG LEU A 43 14.982 -8.379 -2.996 1.00 0.00 C ATOM 602 CD1 LEU A 43 16.008 -7.544 -3.747 1.00 0.00 C ATOM 603 CD2 LEU A 43 14.676 -7.759 -1.641 1.00 0.00 C ATOM 0 H LEU A 43 12.531 -5.827 -2.768 1.00 0.00 H new ATOM 0 HA LEU A 43 13.799 -6.479 -4.475 1.00 0.00 H new ATOM 0 HB2 LEU A 43 12.984 -9.103 -3.239 1.00 0.00 H new ATOM 0 HB3 LEU A 43 13.933 -9.105 -4.713 1.00 0.00 H new ATOM 0 HG LEU A 43 15.401 -9.372 -2.833 1.00 0.00 H new ATOM 0 HD11 LEU A 43 16.912 -7.451 -3.146 1.00 0.00 H new ATOM 0 HD12 LEU A 43 16.249 -8.029 -4.693 1.00 0.00 H new ATOM 0 HD13 LEU A 43 15.598 -6.553 -3.941 1.00 0.00 H new ATOM 0 HD21 LEU A 43 15.598 -7.663 -1.068 1.00 0.00 H new ATOM 0 HD22 LEU A 43 14.233 -6.773 -1.784 1.00 0.00 H new ATOM 0 HD23 LEU A 43 13.977 -8.396 -1.099 1.00 0.00 H new ATOM 615 N GLU A 44 11.285 -6.538 -5.793 1.00 0.00 N ATOM 616 CA GLU A 44 10.434 -6.644 -6.972 1.00 0.00 C ATOM 617 C GLU A 44 9.715 -5.326 -7.245 1.00 0.00 C ATOM 618 O GLU A 44 9.458 -4.546 -6.329 1.00 0.00 O ATOM 619 CB GLU A 44 9.411 -7.768 -6.790 1.00 0.00 C ATOM 620 CG GLU A 44 8.583 -8.045 -8.034 1.00 0.00 C ATOM 621 CD GLU A 44 7.559 -9.142 -7.821 1.00 0.00 C ATOM 622 OE1 GLU A 44 6.469 -8.843 -7.290 1.00 0.00 O ATOM 623 OE2 GLU A 44 7.848 -10.301 -8.186 1.00 0.00 O ATOM 0 H GLU A 44 11.107 -5.716 -5.216 1.00 0.00 H new ATOM 0 HA GLU A 44 11.069 -6.875 -7.827 1.00 0.00 H new ATOM 0 HB2 GLU A 44 9.933 -8.680 -6.501 1.00 0.00 H new ATOM 0 HB3 GLU A 44 8.742 -7.510 -5.969 1.00 0.00 H new ATOM 0 HG2 GLU A 44 8.073 -7.131 -8.337 1.00 0.00 H new ATOM 0 HG3 GLU A 44 9.246 -8.326 -8.852 1.00 0.00 H new ATOM 630 N ALA A 45 9.393 -5.085 -8.512 1.00 0.00 N ATOM 631 CA ALA A 45 8.703 -3.864 -8.906 1.00 0.00 C ATOM 632 C ALA A 45 7.255 -4.151 -9.291 1.00 0.00 C ATOM 633 O ALA A 45 6.982 -5.032 -10.107 1.00 0.00 O ATOM 634 CB ALA A 45 9.435 -3.192 -10.058 1.00 0.00 C ATOM 0 H ALA A 45 9.599 -5.720 -9.283 1.00 0.00 H new ATOM 0 HA ALA A 45 8.696 -3.188 -8.051 1.00 0.00 H new ATOM 0 HB1 ALA A 45 8.908 -2.281 -10.342 1.00 0.00 H new ATOM 0 HB2 ALA A 45 10.450 -2.943 -9.748 1.00 0.00 H new ATOM 0 HB3 ALA A 45 9.472 -3.870 -10.910 1.00 0.00 H new ATOM 640 N LEU A 46 6.331 -3.402 -8.699 1.00 0.00 N ATOM 641 CA LEU A 46 4.910 -3.577 -8.980 1.00 0.00 C ATOM 642 C LEU A 46 4.460 -2.650 -10.104 1.00 0.00 C ATOM 643 O LEU A 46 4.993 -1.552 -10.269 1.00 0.00 O ATOM 644 CB LEU A 46 4.085 -3.308 -7.721 1.00 0.00 C ATOM 645 CG LEU A 46 4.438 -4.151 -6.495 1.00 0.00 C ATOM 646 CD1 LEU A 46 3.746 -3.605 -5.255 1.00 0.00 C ATOM 647 CD2 LEU A 46 4.059 -5.607 -6.721 1.00 0.00 C ATOM 0 H LEU A 46 6.540 -2.668 -8.022 1.00 0.00 H new ATOM 0 HA LEU A 46 4.751 -4.607 -9.298 1.00 0.00 H new ATOM 0 HB2 LEU A 46 4.194 -2.256 -7.457 1.00 0.00 H new ATOM 0 HB3 LEU A 46 3.034 -3.470 -7.958 1.00 0.00 H new ATOM 0 HG LEU A 46 5.515 -4.097 -6.339 1.00 0.00 H new ATOM 0 HD11 LEU A 46 4.009 -4.217 -4.392 1.00 0.00 H new ATOM 0 HD12 LEU A 46 4.067 -2.578 -5.082 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.666 -3.628 -5.401 1.00 0.00 H new ATOM 0 HD21 LEU A 46 4.318 -6.192 -5.838 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.987 -5.680 -6.903 1.00 0.00 H new ATOM 0 HD23 LEU A 46 4.601 -5.994 -7.584 1.00 0.00 H new ATOM 659 N ARG A 47 3.473 -3.098 -10.874 1.00 0.00 N ATOM 660 CA ARG A 47 2.950 -2.308 -11.982 1.00 0.00 C ATOM 661 C ARG A 47 1.434 -2.448 -12.082 1.00 0.00 C ATOM 662 O ARG A 47 0.894 -3.550 -11.976 1.00 0.00 O ATOM 663 CB ARG A 47 3.600 -2.741 -13.297 1.00 0.00 C ATOM 664 CG ARG A 47 3.276 -4.172 -13.695 1.00 0.00 C ATOM 665 CD ARG A 47 4.265 -4.704 -14.720 1.00 0.00 C ATOM 666 NE ARG A 47 3.750 -5.877 -15.420 1.00 0.00 N ATOM 667 CZ ARG A 47 2.942 -5.810 -16.472 1.00 0.00 C ATOM 668 NH1 ARG A 47 2.559 -4.631 -16.943 1.00 0.00 N ATOM 669 NH2 ARG A 47 2.516 -6.923 -17.055 1.00 0.00 N ATOM 0 H ARG A 47 3.020 -4.003 -10.751 1.00 0.00 H new ATOM 0 HA ARG A 47 3.190 -1.262 -11.793 1.00 0.00 H new ATOM 0 HB2 ARG A 47 3.275 -2.069 -14.092 1.00 0.00 H new ATOM 0 HB3 ARG A 47 4.681 -2.633 -13.211 1.00 0.00 H new ATOM 0 HG2 ARG A 47 3.290 -4.809 -12.810 1.00 0.00 H new ATOM 0 HG3 ARG A 47 2.267 -4.217 -14.104 1.00 0.00 H new ATOM 0 HD2 ARG A 47 4.493 -3.921 -15.444 1.00 0.00 H new ATOM 0 HD3 ARG A 47 5.200 -4.961 -14.222 1.00 0.00 H new ATOM 0 HE ARG A 47 4.026 -6.799 -15.082 1.00 0.00 H new ATOM 0 HH11 ARG A 47 2.885 -3.773 -16.497 1.00 0.00 H new ATOM 0 HH12 ARG A 47 1.938 -4.582 -17.751 1.00 0.00 H new ATOM 0 HH21 ARG A 47 2.809 -7.831 -16.695 1.00 0.00 H new ATOM 0 HH22 ARG A 47 1.895 -6.870 -17.863 1.00 0.00 H new ATOM 683 N ASP A 48 0.753 -1.326 -12.286 1.00 0.00 N ATOM 684 CA ASP A 48 -0.701 -1.323 -12.400 1.00 0.00 C ATOM 685 C ASP A 48 -1.165 -2.329 -13.450 1.00 0.00 C ATOM 686 O ASP A 48 -0.657 -2.352 -14.570 1.00 0.00 O ATOM 687 CB ASP A 48 -1.203 0.076 -12.759 1.00 0.00 C ATOM 688 CG ASP A 48 -0.299 0.778 -13.754 1.00 0.00 C ATOM 689 OD1 ASP A 48 -0.288 0.372 -14.934 1.00 0.00 O ATOM 690 OD2 ASP A 48 0.398 1.733 -13.351 1.00 0.00 O ATOM 0 H ASP A 48 1.185 -0.406 -12.376 1.00 0.00 H new ATOM 0 HA ASP A 48 -1.118 -1.613 -11.435 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -2.208 0.003 -13.174 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -1.276 0.676 -11.852 1.00 0.00 H new ATOM 695 N GLY A 49 -2.134 -3.160 -13.078 1.00 0.00 N ATOM 696 CA GLY A 49 -2.649 -4.157 -13.997 1.00 0.00 C ATOM 697 C GLY A 49 -3.931 -4.796 -13.501 1.00 0.00 C ATOM 698 O GLY A 49 -4.886 -4.101 -13.155 1.00 0.00 O ATOM 0 H GLY A 49 -2.571 -3.160 -12.156 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -2.829 -3.694 -14.967 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -1.896 -4.931 -14.148 1.00 0.00 H new ATOM 702 N ASP A 50 -3.953 -6.124 -13.466 1.00 0.00 N ATOM 703 CA ASP A 50 -5.127 -6.858 -13.009 1.00 0.00 C ATOM 704 C ASP A 50 -5.051 -7.125 -11.509 1.00 0.00 C ATOM 705 O ASP A 50 -5.936 -6.728 -10.751 1.00 0.00 O ATOM 706 CB ASP A 50 -5.258 -8.178 -13.769 1.00 0.00 C ATOM 707 CG ASP A 50 -6.588 -8.862 -13.517 1.00 0.00 C ATOM 708 OD1 ASP A 50 -7.626 -8.171 -13.555 1.00 0.00 O ATOM 709 OD2 ASP A 50 -6.589 -10.089 -13.282 1.00 0.00 O ATOM 0 H ASP A 50 -3.171 -6.714 -13.749 1.00 0.00 H new ATOM 0 HA ASP A 50 -6.007 -6.246 -13.207 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -5.145 -7.992 -14.837 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -4.448 -8.845 -13.475 1.00 0.00 H new ATOM 714 N LYS A 51 -3.988 -7.802 -11.087 1.00 0.00 N ATOM 715 CA LYS A 51 -3.795 -8.123 -9.678 1.00 0.00 C ATOM 716 C LYS A 51 -3.741 -6.854 -8.833 1.00 0.00 C ATOM 717 O LYS A 51 -4.455 -6.729 -7.838 1.00 0.00 O ATOM 718 CB LYS A 51 -2.508 -8.929 -9.490 1.00 0.00 C ATOM 719 CG LYS A 51 -2.101 -9.093 -8.036 1.00 0.00 C ATOM 720 CD LYS A 51 -2.825 -10.258 -7.381 1.00 0.00 C ATOM 721 CE LYS A 51 -2.027 -11.547 -7.499 1.00 0.00 C ATOM 722 NZ LYS A 51 -2.379 -12.307 -8.730 1.00 0.00 N ATOM 0 H LYS A 51 -3.247 -8.139 -11.701 1.00 0.00 H new ATOM 0 HA LYS A 51 -4.644 -8.722 -9.348 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -2.638 -9.915 -9.936 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -1.699 -8.439 -10.032 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -1.024 -9.252 -7.975 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -2.319 -8.175 -7.491 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -3.002 -10.033 -6.329 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -3.802 -10.389 -7.847 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -0.962 -11.315 -7.508 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -2.211 -12.169 -6.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -2.107 -13.304 -8.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -3.404 -12.245 -8.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -1.872 -11.904 -9.544 1.00 0.00 H new ATOM 736 N TYR A 52 -2.892 -5.916 -9.237 1.00 0.00 N ATOM 737 CA TYR A 52 -2.745 -4.657 -8.516 1.00 0.00 C ATOM 738 C TYR A 52 -3.612 -3.568 -9.139 1.00 0.00 C ATOM 739 O TYR A 52 -3.586 -3.355 -10.351 1.00 0.00 O ATOM 740 CB TYR A 52 -1.280 -4.217 -8.511 1.00 0.00 C ATOM 741 CG TYR A 52 -0.319 -5.315 -8.112 1.00 0.00 C ATOM 742 CD1 TYR A 52 -0.365 -5.877 -6.842 1.00 0.00 C ATOM 743 CD2 TYR A 52 0.634 -5.789 -9.004 1.00 0.00 C ATOM 744 CE1 TYR A 52 0.511 -6.879 -6.473 1.00 0.00 C ATOM 745 CE2 TYR A 52 1.513 -6.792 -8.644 1.00 0.00 C ATOM 746 CZ TYR A 52 1.448 -7.334 -7.377 1.00 0.00 C ATOM 747 OH TYR A 52 2.323 -8.332 -7.014 1.00 0.00 O ATOM 0 H TYR A 52 -2.295 -6.003 -10.060 1.00 0.00 H new ATOM 0 HA TYR A 52 -3.074 -4.815 -7.489 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -1.014 -3.857 -9.505 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -1.164 -3.377 -7.826 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -1.098 -5.524 -6.132 1.00 0.00 H new ATOM 0 HD2 TYR A 52 0.689 -5.366 -9.996 1.00 0.00 H new ATOM 0 HE1 TYR A 52 0.463 -7.304 -5.481 1.00 0.00 H new ATOM 0 HE2 TYR A 52 2.247 -7.150 -9.351 1.00 0.00 H new ATOM 0 HH TYR A 52 2.917 -8.536 -7.767 1.00 0.00 H new ATOM 757 N SER A 53 -4.381 -2.880 -8.300 1.00 0.00 N ATOM 758 CA SER A 53 -5.259 -1.815 -8.768 1.00 0.00 C ATOM 759 C SER A 53 -4.856 -0.473 -8.163 1.00 0.00 C ATOM 760 O SER A 53 -5.169 -0.180 -7.008 1.00 0.00 O ATOM 761 CB SER A 53 -6.713 -2.131 -8.411 1.00 0.00 C ATOM 762 OG SER A 53 -7.324 -2.923 -9.415 1.00 0.00 O ATOM 0 H SER A 53 -4.413 -3.042 -7.293 1.00 0.00 H new ATOM 0 HA SER A 53 -5.164 -1.749 -9.852 1.00 0.00 H new ATOM 0 HB2 SER A 53 -6.751 -2.656 -7.456 1.00 0.00 H new ATOM 0 HB3 SER A 53 -7.270 -1.203 -8.286 1.00 0.00 H new ATOM 0 HG SER A 53 -7.794 -3.675 -8.998 1.00 0.00 H new ATOM 768 N LEU A 54 -4.158 0.337 -8.950 1.00 0.00 N ATOM 769 CA LEU A 54 -3.710 1.649 -8.494 1.00 0.00 C ATOM 770 C LEU A 54 -4.807 2.693 -8.678 1.00 0.00 C ATOM 771 O LEU A 54 -5.042 3.172 -9.787 1.00 0.00 O ATOM 772 CB LEU A 54 -2.453 2.073 -9.255 1.00 0.00 C ATOM 773 CG LEU A 54 -1.133 1.489 -8.751 1.00 0.00 C ATOM 774 CD1 LEU A 54 -0.953 1.780 -7.269 1.00 0.00 C ATOM 775 CD2 LEU A 54 -1.078 -0.009 -9.013 1.00 0.00 C ATOM 0 H LEU A 54 -3.889 0.109 -9.907 1.00 0.00 H new ATOM 0 HA LEU A 54 -3.477 1.578 -7.432 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.575 1.793 -10.301 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -2.382 3.160 -9.222 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.316 1.963 -9.295 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -0.008 1.357 -6.927 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -0.947 2.858 -7.108 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.774 1.334 -6.708 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.132 -0.408 -8.648 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.902 -0.499 -8.495 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -1.161 -0.194 -10.084 1.00 0.00 H new ATOM 787 N ARG A 55 -5.473 3.043 -7.582 1.00 0.00 N ATOM 788 CA ARG A 55 -6.544 4.031 -7.622 1.00 0.00 C ATOM 789 C ARG A 55 -6.124 5.317 -6.916 1.00 0.00 C ATOM 790 O ARG A 55 -6.910 5.920 -6.186 1.00 0.00 O ATOM 791 CB ARG A 55 -7.810 3.469 -6.972 1.00 0.00 C ATOM 792 CG ARG A 55 -7.603 3.001 -5.541 1.00 0.00 C ATOM 793 CD ARG A 55 -8.915 2.584 -4.896 1.00 0.00 C ATOM 794 NE ARG A 55 -9.878 3.681 -4.856 1.00 0.00 N ATOM 795 CZ ARG A 55 -9.820 4.679 -3.982 1.00 0.00 C ATOM 796 NH1 ARG A 55 -8.849 4.718 -3.079 1.00 0.00 N ATOM 797 NH2 ARG A 55 -10.734 5.641 -4.009 1.00 0.00 N ATOM 0 H ARG A 55 -5.290 2.657 -6.656 1.00 0.00 H new ATOM 0 HA ARG A 55 -6.752 4.262 -8.667 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -8.586 4.234 -6.986 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -8.175 2.634 -7.569 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -6.907 2.162 -5.529 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -7.148 3.801 -4.958 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -9.341 1.747 -5.450 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -8.725 2.232 -3.882 1.00 0.00 H new ATOM 0 HE ARG A 55 -10.637 3.681 -5.537 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -8.145 3.980 -3.055 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -8.806 5.486 -2.409 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -11.482 5.614 -4.702 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -10.688 6.407 -3.337 1.00 0.00 H new ATOM 811 N GLN A 56 -4.880 5.729 -7.138 1.00 0.00 N ATOM 812 CA GLN A 56 -4.356 6.942 -6.521 1.00 0.00 C ATOM 813 C GLN A 56 -5.199 8.154 -6.902 1.00 0.00 C ATOM 814 O GLN A 56 -5.595 8.309 -8.058 1.00 0.00 O ATOM 815 CB GLN A 56 -2.902 7.165 -6.941 1.00 0.00 C ATOM 816 CG GLN A 56 -2.279 8.412 -6.335 1.00 0.00 C ATOM 817 CD GLN A 56 -1.054 8.881 -7.096 1.00 0.00 C ATOM 818 OE1 GLN A 56 -0.720 8.342 -8.151 1.00 0.00 O ATOM 819 NE2 GLN A 56 -0.377 9.892 -6.563 1.00 0.00 N ATOM 0 H GLN A 56 -4.217 5.241 -7.740 1.00 0.00 H new ATOM 0 HA GLN A 56 -4.400 6.818 -5.439 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -2.311 6.296 -6.651 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -2.853 7.236 -8.028 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -3.019 9.212 -6.318 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -2.004 8.210 -5.300 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -0.690 10.309 -5.686 1.00 0.00 H new ATOM 0 HE22 GLN A 56 0.455 10.251 -7.030 1.00 0.00 H new ATOM 828 N ASP A 57 -5.471 9.010 -5.924 1.00 0.00 N ATOM 829 CA ASP A 57 -6.267 10.210 -6.156 1.00 0.00 C ATOM 830 C ASP A 57 -5.533 11.453 -5.663 1.00 0.00 C ATOM 831 O ASP A 57 -5.570 11.778 -4.478 1.00 0.00 O ATOM 832 CB ASP A 57 -7.622 10.092 -5.457 1.00 0.00 C ATOM 833 CG ASP A 57 -8.700 10.908 -6.142 1.00 0.00 C ATOM 834 OD1 ASP A 57 -8.727 12.140 -5.944 1.00 0.00 O ATOM 835 OD2 ASP A 57 -9.518 10.315 -6.877 1.00 0.00 O ATOM 0 H ASP A 57 -5.152 8.896 -4.962 1.00 0.00 H new ATOM 0 HA ASP A 57 -6.428 10.307 -7.230 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -7.924 9.045 -5.431 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -7.524 10.421 -4.422 1.00 0.00 H new ATOM 840 N GLY A 58 -4.867 12.144 -6.583 1.00 0.00 N ATOM 841 CA GLY A 58 -4.133 13.343 -6.222 1.00 0.00 C ATOM 842 C GLY A 58 -2.940 13.048 -5.335 1.00 0.00 C ATOM 843 O GLY A 58 -1.921 12.538 -5.802 1.00 0.00 O ATOM 0 H GLY A 58 -4.823 11.895 -7.571 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -3.793 13.844 -7.128 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -4.802 14.034 -5.708 1.00 0.00 H new ATOM 847 N ALA A 59 -3.064 13.370 -4.052 1.00 0.00 N ATOM 848 CA ALA A 59 -1.988 13.136 -3.097 1.00 0.00 C ATOM 849 C ALA A 59 -2.144 11.781 -2.416 1.00 0.00 C ATOM 850 O ALA A 59 -1.163 11.072 -2.188 1.00 0.00 O ATOM 851 CB ALA A 59 -1.950 14.249 -2.061 1.00 0.00 C ATOM 0 H ALA A 59 -3.900 13.794 -3.650 1.00 0.00 H new ATOM 0 HA ALA A 59 -1.045 13.132 -3.644 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -1.142 14.061 -1.354 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -1.782 15.204 -2.559 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -2.899 14.281 -1.526 1.00 0.00 H new ATOM 857 N VAL A 60 -3.383 11.426 -2.091 1.00 0.00 N ATOM 858 CA VAL A 60 -3.668 10.155 -1.436 1.00 0.00 C ATOM 859 C VAL A 60 -3.360 8.980 -2.357 1.00 0.00 C ATOM 860 O VAL A 60 -3.921 8.870 -3.448 1.00 0.00 O ATOM 861 CB VAL A 60 -5.140 10.071 -0.989 1.00 0.00 C ATOM 862 CG1 VAL A 60 -5.439 8.706 -0.389 1.00 0.00 C ATOM 863 CG2 VAL A 60 -5.459 11.180 0.002 1.00 0.00 C ATOM 0 H VAL A 60 -4.206 12.001 -2.271 1.00 0.00 H new ATOM 0 HA VAL A 60 -3.026 10.102 -0.557 1.00 0.00 H new ATOM 0 HB VAL A 60 -5.776 10.203 -1.864 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -6.483 8.666 -0.079 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -5.251 7.932 -1.133 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -4.797 8.540 0.476 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -6.503 11.106 0.307 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -4.817 11.082 0.877 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -5.286 12.148 -0.468 1.00 0.00 H new ATOM 873 N CYS A 61 -2.466 8.105 -1.911 1.00 0.00 N ATOM 874 CA CYS A 61 -2.082 6.937 -2.696 1.00 0.00 C ATOM 875 C CYS A 61 -2.492 5.648 -1.989 1.00 0.00 C ATOM 876 O CYS A 61 -2.050 5.374 -0.874 1.00 0.00 O ATOM 877 CB CYS A 61 -0.574 6.938 -2.947 1.00 0.00 C ATOM 878 SG CYS A 61 0.066 8.499 -3.597 1.00 0.00 S ATOM 0 H CYS A 61 -1.993 8.182 -1.010 1.00 0.00 H new ATOM 0 HA CYS A 61 -2.602 6.986 -3.653 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -0.061 6.708 -2.013 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -0.333 6.139 -3.648 1.00 0.00 H new ATOM 0 HG CYS A 61 -0.490 9.492 -2.968 1.00 0.00 H new ATOM 884 N GLU A 62 -3.339 4.863 -2.646 1.00 0.00 N ATOM 885 CA GLU A 62 -3.810 3.605 -2.079 1.00 0.00 C ATOM 886 C GLU A 62 -3.562 2.447 -3.042 1.00 0.00 C ATOM 887 O GLU A 62 -3.984 2.486 -4.199 1.00 0.00 O ATOM 888 CB GLU A 62 -5.301 3.696 -1.746 1.00 0.00 C ATOM 889 CG GLU A 62 -5.955 2.345 -1.509 1.00 0.00 C ATOM 890 CD GLU A 62 -7.353 2.467 -0.935 1.00 0.00 C ATOM 891 OE1 GLU A 62 -8.310 2.605 -1.726 1.00 0.00 O ATOM 892 OE2 GLU A 62 -7.490 2.424 0.306 1.00 0.00 O ATOM 0 H GLU A 62 -3.713 5.076 -3.571 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.251 3.418 -1.162 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -5.429 4.313 -0.857 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -5.817 4.202 -2.562 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -5.999 1.797 -2.450 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -5.336 1.760 -0.828 1.00 0.00 H new ATOM 899 N LEU A 63 -2.876 1.419 -2.557 1.00 0.00 N ATOM 900 CA LEU A 63 -2.570 0.249 -3.373 1.00 0.00 C ATOM 901 C LEU A 63 -3.485 -0.918 -3.017 1.00 0.00 C ATOM 902 O LEU A 63 -3.564 -1.325 -1.858 1.00 0.00 O ATOM 903 CB LEU A 63 -1.108 -0.159 -3.188 1.00 0.00 C ATOM 904 CG LEU A 63 -0.717 -1.527 -3.748 1.00 0.00 C ATOM 905 CD1 LEU A 63 -0.672 -1.489 -5.268 1.00 0.00 C ATOM 906 CD2 LEU A 63 0.625 -1.971 -3.184 1.00 0.00 C ATOM 0 H LEU A 63 -2.521 1.371 -1.602 1.00 0.00 H new ATOM 0 HA LEU A 63 -2.737 0.512 -4.417 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -0.478 0.597 -3.657 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -0.880 -0.146 -2.122 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.473 -2.251 -3.445 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -0.392 -2.471 -5.648 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -1.654 -1.217 -5.654 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.062 -0.752 -5.592 1.00 0.00 H new ATOM 0 HD21 LEU A 63 0.887 -2.947 -3.594 1.00 0.00 H new ATOM 0 HD22 LEU A 63 1.392 -1.246 -3.456 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.559 -2.039 -2.098 1.00 0.00 H new ATOM 918 N GLN A 64 -4.173 -1.452 -4.021 1.00 0.00 N ATOM 919 CA GLN A 64 -5.082 -2.574 -3.812 1.00 0.00 C ATOM 920 C GLN A 64 -4.548 -3.838 -4.478 1.00 0.00 C ATOM 921 O GLN A 64 -4.216 -3.833 -5.664 1.00 0.00 O ATOM 922 CB GLN A 64 -6.470 -2.242 -4.361 1.00 0.00 C ATOM 923 CG GLN A 64 -7.366 -1.531 -3.359 1.00 0.00 C ATOM 924 CD GLN A 64 -8.766 -1.298 -3.891 1.00 0.00 C ATOM 925 OE1 GLN A 64 -9.010 -0.348 -4.635 1.00 0.00 O ATOM 926 NE2 GLN A 64 -9.696 -2.167 -3.512 1.00 0.00 N ATOM 0 H GLN A 64 -4.119 -1.127 -4.986 1.00 0.00 H new ATOM 0 HA GLN A 64 -5.157 -2.754 -2.740 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -6.361 -1.616 -5.247 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -6.956 -3.164 -4.680 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -7.422 -2.122 -2.445 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -6.919 -0.573 -3.093 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -9.450 -2.940 -2.894 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -10.656 -2.061 -3.839 1.00 0.00 H new ATOM 935 N ILE A 65 -4.467 -4.917 -3.708 1.00 0.00 N ATOM 936 CA ILE A 65 -3.974 -6.188 -4.224 1.00 0.00 C ATOM 937 C ILE A 65 -5.076 -7.242 -4.233 1.00 0.00 C ATOM 938 O ILE A 65 -5.358 -7.871 -3.213 1.00 0.00 O ATOM 939 CB ILE A 65 -2.787 -6.710 -3.394 1.00 0.00 C ATOM 940 CG1 ILE A 65 -1.700 -5.639 -3.289 1.00 0.00 C ATOM 941 CG2 ILE A 65 -2.227 -7.982 -4.013 1.00 0.00 C ATOM 942 CD1 ILE A 65 -0.886 -5.727 -2.017 1.00 0.00 C ATOM 0 H ILE A 65 -4.736 -4.937 -2.724 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.640 -6.006 -5.246 1.00 0.00 H new ATOM 0 HB ILE A 65 -3.139 -6.943 -2.389 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -1.031 -5.726 -4.145 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -2.164 -4.655 -3.346 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -1.388 -8.339 -3.415 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -3.004 -8.746 -4.041 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -1.887 -7.774 -5.027 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -0.135 -4.937 -2.011 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -1.543 -5.609 -1.156 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -0.393 -6.698 -1.967 1.00 0.00 H new ATOM 954 N HIS A 66 -5.696 -7.433 -5.394 1.00 0.00 N ATOM 955 CA HIS A 66 -6.766 -8.413 -5.537 1.00 0.00 C ATOM 956 C HIS A 66 -6.222 -9.833 -5.416 1.00 0.00 C ATOM 957 O HIS A 66 -5.379 -10.255 -6.208 1.00 0.00 O ATOM 958 CB HIS A 66 -7.470 -8.238 -6.883 1.00 0.00 C ATOM 959 CG HIS A 66 -8.023 -6.862 -7.095 1.00 0.00 C ATOM 960 ND1 HIS A 66 -9.374 -6.592 -7.139 1.00 0.00 N ATOM 961 CD2 HIS A 66 -7.397 -5.675 -7.274 1.00 0.00 C ATOM 962 CE1 HIS A 66 -9.556 -5.298 -7.338 1.00 0.00 C ATOM 963 NE2 HIS A 66 -8.372 -4.719 -7.423 1.00 0.00 N ATOM 0 H HIS A 66 -5.475 -6.922 -6.249 1.00 0.00 H new ATOM 0 HA HIS A 66 -7.485 -8.248 -4.735 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -6.767 -8.465 -7.684 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -8.281 -8.962 -6.956 1.00 0.00 H new ATOM 0 HD1 HIS A 66 -10.117 -7.283 -7.034 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -6.330 -5.510 -7.296 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -10.511 -4.799 -7.418 1.00 0.00 H new ATOM 971 N GLY A 67 -6.708 -10.566 -4.419 1.00 0.00 N ATOM 972 CA GLY A 67 -6.258 -11.930 -4.212 1.00 0.00 C ATOM 973 C GLY A 67 -4.923 -11.998 -3.498 1.00 0.00 C ATOM 974 O GLY A 67 -3.871 -11.822 -4.114 1.00 0.00 O ATOM 0 H GLY A 67 -7.406 -10.239 -3.751 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -7.005 -12.472 -3.632 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -6.177 -12.433 -5.176 1.00 0.00 H new ATOM 978 N LEU A 68 -4.963 -12.252 -2.195 1.00 0.00 N ATOM 979 CA LEU A 68 -3.747 -12.342 -1.395 1.00 0.00 C ATOM 980 C LEU A 68 -3.245 -13.780 -1.325 1.00 0.00 C ATOM 981 O LEU A 68 -3.995 -14.722 -1.580 1.00 0.00 O ATOM 982 CB LEU A 68 -4.001 -11.809 0.017 1.00 0.00 C ATOM 983 CG LEU A 68 -4.106 -10.290 0.152 1.00 0.00 C ATOM 984 CD1 LEU A 68 -4.807 -9.916 1.449 1.00 0.00 C ATOM 985 CD2 LEU A 68 -2.725 -9.652 0.087 1.00 0.00 C ATOM 0 H LEU A 68 -5.825 -12.399 -1.670 1.00 0.00 H new ATOM 0 HA LEU A 68 -2.981 -11.733 -1.875 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.925 -12.252 0.390 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -3.196 -12.157 0.665 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.699 -9.911 -0.680 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.872 -8.831 1.527 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -5.811 -10.341 1.456 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.241 -10.307 2.294 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.819 -8.570 0.185 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -2.108 -10.037 0.898 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -2.259 -9.891 -0.869 1.00 0.00 H new ATOM 997 N ALA A 69 -1.973 -13.942 -0.976 1.00 0.00 N ATOM 998 CA ALA A 69 -1.373 -15.265 -0.868 1.00 0.00 C ATOM 999 C ALA A 69 -0.108 -15.227 -0.017 1.00 0.00 C ATOM 1000 O ALA A 69 0.412 -14.155 0.290 1.00 0.00 O ATOM 1001 CB ALA A 69 -1.064 -15.819 -2.251 1.00 0.00 C ATOM 0 H ALA A 69 -1.338 -13.173 -0.763 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.090 -15.923 -0.377 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.616 -16.808 -2.155 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -1.986 -15.893 -2.828 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -0.368 -15.154 -2.762 1.00 0.00 H new ATOM 1007 N MET A 70 0.381 -16.403 0.362 1.00 0.00 N ATOM 1008 CA MET A 70 1.585 -16.503 1.178 1.00 0.00 C ATOM 1009 C MET A 70 2.769 -15.838 0.483 1.00 0.00 C ATOM 1010 O MET A 70 3.692 -15.353 1.136 1.00 0.00 O ATOM 1011 CB MET A 70 1.909 -17.969 1.471 1.00 0.00 C ATOM 1012 CG MET A 70 0.939 -18.623 2.442 1.00 0.00 C ATOM 1013 SD MET A 70 0.769 -17.700 3.982 1.00 0.00 S ATOM 1014 CE MET A 70 -0.893 -17.056 3.809 1.00 0.00 C ATOM 0 H MET A 70 -0.038 -17.300 0.117 1.00 0.00 H new ATOM 0 HA MET A 70 1.400 -15.985 2.119 1.00 0.00 H new ATOM 0 HB2 MET A 70 1.905 -18.528 0.535 1.00 0.00 H new ATOM 0 HB3 MET A 70 2.918 -18.035 1.878 1.00 0.00 H new ATOM 0 HG2 MET A 70 -0.038 -18.714 1.968 1.00 0.00 H new ATOM 0 HG3 MET A 70 1.280 -19.634 2.665 1.00 0.00 H new ATOM 0 HE1 MET A 70 -1.133 -16.432 4.670 1.00 0.00 H new ATOM 0 HE2 MET A 70 -0.959 -16.460 2.899 1.00 0.00 H new ATOM 0 HE3 MET A 70 -1.600 -17.884 3.753 1.00 0.00 H new ATOM 1024 N ALA A 71 2.736 -15.820 -0.846 1.00 0.00 N ATOM 1025 CA ALA A 71 3.805 -15.214 -1.629 1.00 0.00 C ATOM 1026 C ALA A 71 3.781 -13.694 -1.507 1.00 0.00 C ATOM 1027 O ALA A 71 4.825 -13.043 -1.529 1.00 0.00 O ATOM 1028 CB ALA A 71 3.692 -15.630 -3.088 1.00 0.00 C ATOM 0 H ALA A 71 1.980 -16.219 -1.402 1.00 0.00 H new ATOM 0 HA ALA A 71 4.757 -15.569 -1.234 1.00 0.00 H new ATOM 0 HB1 ALA A 71 4.497 -15.170 -3.661 1.00 0.00 H new ATOM 0 HB2 ALA A 71 3.767 -16.715 -3.164 1.00 0.00 H new ATOM 0 HB3 ALA A 71 2.731 -15.304 -3.486 1.00 0.00 H new ATOM 1034 N ASP A 72 2.583 -13.135 -1.378 1.00 0.00 N ATOM 1035 CA ASP A 72 2.422 -11.691 -1.252 1.00 0.00 C ATOM 1036 C ASP A 72 3.171 -11.165 -0.031 1.00 0.00 C ATOM 1037 O ASP A 72 3.589 -10.009 0.002 1.00 0.00 O ATOM 1038 CB ASP A 72 0.940 -11.327 -1.152 1.00 0.00 C ATOM 1039 CG ASP A 72 0.285 -11.188 -2.513 1.00 0.00 C ATOM 1040 OD1 ASP A 72 1.001 -10.867 -3.486 1.00 0.00 O ATOM 1041 OD2 ASP A 72 -0.942 -11.399 -2.605 1.00 0.00 O ATOM 0 H ASP A 72 1.709 -13.660 -1.358 1.00 0.00 H new ATOM 0 HA ASP A 72 2.843 -11.225 -2.143 1.00 0.00 H new ATOM 0 HB2 ASP A 72 0.419 -12.093 -0.578 1.00 0.00 H new ATOM 0 HB3 ASP A 72 0.835 -10.391 -0.604 1.00 0.00 H new ATOM 1046 N ASN A 73 3.334 -12.023 0.971 1.00 0.00 N ATOM 1047 CA ASN A 73 4.030 -11.645 2.195 1.00 0.00 C ATOM 1048 C ASN A 73 5.424 -11.107 1.884 1.00 0.00 C ATOM 1049 O ASN A 73 6.190 -11.726 1.148 1.00 0.00 O ATOM 1050 CB ASN A 73 4.133 -12.844 3.140 1.00 0.00 C ATOM 1051 CG ASN A 73 2.912 -12.988 4.027 1.00 0.00 C ATOM 1052 OD1 ASN A 73 2.335 -11.996 4.474 1.00 0.00 O ATOM 1053 ND2 ASN A 73 2.512 -14.227 4.286 1.00 0.00 N ATOM 0 H ASN A 73 2.994 -12.984 0.959 1.00 0.00 H new ATOM 0 HA ASN A 73 3.455 -10.857 2.681 1.00 0.00 H new ATOM 0 HB2 ASN A 73 4.263 -13.754 2.555 1.00 0.00 H new ATOM 0 HB3 ASN A 73 5.021 -12.737 3.763 1.00 0.00 H new ATOM 0 HD21 ASN A 73 1.696 -14.386 4.877 1.00 0.00 H new ATOM 0 HD22 ASN A 73 3.021 -15.020 3.894 1.00 0.00 H new ATOM 1060 N GLY A 74 5.746 -9.949 2.453 1.00 0.00 N ATOM 1061 CA GLY A 74 7.046 -9.347 2.225 1.00 0.00 C ATOM 1062 C GLY A 74 7.116 -7.914 2.715 1.00 0.00 C ATOM 1063 O GLY A 74 6.572 -7.584 3.769 1.00 0.00 O ATOM 0 H GLY A 74 5.129 -9.418 3.068 1.00 0.00 H new ATOM 0 HA2 GLY A 74 7.810 -9.938 2.730 1.00 0.00 H new ATOM 0 HA3 GLY A 74 7.274 -9.375 1.159 1.00 0.00 H new ATOM 1067 N VAL A 75 7.790 -7.061 1.951 1.00 0.00 N ATOM 1068 CA VAL A 75 7.930 -5.656 2.313 1.00 0.00 C ATOM 1069 C VAL A 75 7.759 -4.754 1.096 1.00 0.00 C ATOM 1070 O VAL A 75 8.603 -4.737 0.199 1.00 0.00 O ATOM 1071 CB VAL A 75 9.300 -5.376 2.957 1.00 0.00 C ATOM 1072 CG1 VAL A 75 10.424 -5.857 2.052 1.00 0.00 C ATOM 1073 CG2 VAL A 75 9.451 -3.894 3.267 1.00 0.00 C ATOM 0 H VAL A 75 8.248 -7.319 1.077 1.00 0.00 H new ATOM 0 HA VAL A 75 7.145 -5.437 3.037 1.00 0.00 H new ATOM 0 HB VAL A 75 9.360 -5.928 3.895 1.00 0.00 H new ATOM 0 HG11 VAL A 75 11.385 -5.651 2.524 1.00 0.00 H new ATOM 0 HG12 VAL A 75 10.324 -6.930 1.886 1.00 0.00 H new ATOM 0 HG13 VAL A 75 10.370 -5.336 1.096 1.00 0.00 H new ATOM 0 HG21 VAL A 75 10.425 -3.715 3.722 1.00 0.00 H new ATOM 0 HG22 VAL A 75 9.370 -3.319 2.344 1.00 0.00 H new ATOM 0 HG23 VAL A 75 8.666 -3.585 3.957 1.00 0.00 H new ATOM 1083 N TYR A 76 6.662 -4.005 1.070 1.00 0.00 N ATOM 1084 CA TYR A 76 6.379 -3.102 -0.039 1.00 0.00 C ATOM 1085 C TYR A 76 6.975 -1.721 0.218 1.00 0.00 C ATOM 1086 O TYR A 76 7.297 -1.373 1.354 1.00 0.00 O ATOM 1087 CB TYR A 76 4.870 -2.986 -0.258 1.00 0.00 C ATOM 1088 CG TYR A 76 4.207 -4.298 -0.614 1.00 0.00 C ATOM 1089 CD1 TYR A 76 4.135 -5.335 0.308 1.00 0.00 C ATOM 1090 CD2 TYR A 76 3.655 -4.500 -1.873 1.00 0.00 C ATOM 1091 CE1 TYR A 76 3.531 -6.535 -0.014 1.00 0.00 C ATOM 1092 CE2 TYR A 76 3.048 -5.697 -2.202 1.00 0.00 C ATOM 1093 CZ TYR A 76 2.989 -6.711 -1.270 1.00 0.00 C ATOM 1094 OH TYR A 76 2.386 -7.905 -1.594 1.00 0.00 O ATOM 0 H TYR A 76 5.954 -4.006 1.804 1.00 0.00 H new ATOM 0 HA TYR A 76 6.838 -3.515 -0.937 1.00 0.00 H new ATOM 0 HB2 TYR A 76 4.409 -2.590 0.647 1.00 0.00 H new ATOM 0 HB3 TYR A 76 4.681 -2.265 -1.054 1.00 0.00 H new ATOM 0 HD1 TYR A 76 4.558 -5.201 1.293 1.00 0.00 H new ATOM 0 HD2 TYR A 76 3.701 -3.709 -2.606 1.00 0.00 H new ATOM 0 HE1 TYR A 76 3.483 -7.331 0.714 1.00 0.00 H new ATOM 0 HE2 TYR A 76 2.622 -5.837 -3.184 1.00 0.00 H new ATOM 0 HH TYR A 76 2.772 -8.624 -1.052 1.00 0.00 H new ATOM 1104 N SER A 77 7.117 -0.938 -0.847 1.00 0.00 N ATOM 1105 CA SER A 77 7.677 0.405 -0.739 1.00 0.00 C ATOM 1106 C SER A 77 7.091 1.325 -1.806 1.00 0.00 C ATOM 1107 O SER A 77 6.636 0.866 -2.855 1.00 0.00 O ATOM 1108 CB SER A 77 9.200 0.357 -0.870 1.00 0.00 C ATOM 1109 OG SER A 77 9.807 1.424 -0.162 1.00 0.00 O ATOM 0 H SER A 77 6.852 -1.210 -1.794 1.00 0.00 H new ATOM 0 HA SER A 77 7.417 0.803 0.242 1.00 0.00 H new ATOM 0 HB2 SER A 77 9.571 -0.594 -0.489 1.00 0.00 H new ATOM 0 HB3 SER A 77 9.479 0.409 -1.922 1.00 0.00 H new ATOM 0 HG SER A 77 10.050 1.123 0.739 1.00 0.00 H new ATOM 1115 N CYS A 78 7.105 2.624 -1.530 1.00 0.00 N ATOM 1116 CA CYS A 78 6.575 3.610 -2.465 1.00 0.00 C ATOM 1117 C CYS A 78 7.553 4.765 -2.650 1.00 0.00 C ATOM 1118 O CYS A 78 7.560 5.718 -1.869 1.00 0.00 O ATOM 1119 CB CYS A 78 5.228 4.140 -1.971 1.00 0.00 C ATOM 1120 SG CYS A 78 4.337 5.139 -3.186 1.00 0.00 S ATOM 0 H CYS A 78 7.477 3.019 -0.667 1.00 0.00 H new ATOM 0 HA CYS A 78 6.433 3.121 -3.429 1.00 0.00 H new ATOM 0 HB2 CYS A 78 4.602 3.296 -1.681 1.00 0.00 H new ATOM 0 HB3 CYS A 78 5.392 4.738 -1.075 1.00 0.00 H new ATOM 0 HG CYS A 78 3.246 4.525 -3.537 1.00 0.00 H new ATOM 1126 N VAL A 79 8.380 4.674 -3.686 1.00 0.00 N ATOM 1127 CA VAL A 79 9.364 5.711 -3.973 1.00 0.00 C ATOM 1128 C VAL A 79 8.752 6.835 -4.803 1.00 0.00 C ATOM 1129 O VAL A 79 8.189 6.595 -5.872 1.00 0.00 O ATOM 1130 CB VAL A 79 10.581 5.139 -4.723 1.00 0.00 C ATOM 1131 CG1 VAL A 79 11.704 6.163 -4.780 1.00 0.00 C ATOM 1132 CG2 VAL A 79 11.055 3.852 -4.065 1.00 0.00 C ATOM 0 H VAL A 79 8.388 3.892 -4.341 1.00 0.00 H new ATOM 0 HA VAL A 79 9.693 6.109 -3.013 1.00 0.00 H new ATOM 0 HB VAL A 79 10.280 4.909 -5.745 1.00 0.00 H new ATOM 0 HG11 VAL A 79 12.555 5.740 -5.314 1.00 0.00 H new ATOM 0 HG12 VAL A 79 11.356 7.056 -5.300 1.00 0.00 H new ATOM 0 HG13 VAL A 79 12.006 6.428 -3.767 1.00 0.00 H new ATOM 0 HG21 VAL A 79 11.916 3.461 -4.608 1.00 0.00 H new ATOM 0 HG22 VAL A 79 11.339 4.054 -3.032 1.00 0.00 H new ATOM 0 HG23 VAL A 79 10.251 3.117 -4.083 1.00 0.00 H new ATOM 1142 N CYS A 80 8.867 8.061 -4.304 1.00 0.00 N ATOM 1143 CA CYS A 80 8.324 9.222 -5.000 1.00 0.00 C ATOM 1144 C CYS A 80 9.374 9.851 -5.910 1.00 0.00 C ATOM 1145 O CYS A 80 9.149 10.026 -7.107 1.00 0.00 O ATOM 1146 CB CYS A 80 7.821 10.256 -3.992 1.00 0.00 C ATOM 1147 SG CYS A 80 7.210 11.783 -4.744 1.00 0.00 S ATOM 0 H CYS A 80 9.331 8.276 -3.421 1.00 0.00 H new ATOM 0 HA CYS A 80 7.489 8.888 -5.616 1.00 0.00 H new ATOM 0 HB2 CYS A 80 7.022 9.811 -3.399 1.00 0.00 H new ATOM 0 HB3 CYS A 80 8.630 10.501 -3.304 1.00 0.00 H new ATOM 0 HG CYS A 80 6.805 12.594 -3.812 1.00 0.00 H new ATOM 1153 N GLY A 81 10.523 10.190 -5.333 1.00 0.00 N ATOM 1154 CA GLY A 81 11.591 10.798 -6.106 1.00 0.00 C ATOM 1155 C GLY A 81 12.856 10.992 -5.295 1.00 0.00 C ATOM 1156 O GLY A 81 13.944 10.615 -5.731 1.00 0.00 O ATOM 0 H GLY A 81 10.733 10.055 -4.344 1.00 0.00 H new ATOM 0 HA2 GLY A 81 11.810 10.173 -6.971 1.00 0.00 H new ATOM 0 HA3 GLY A 81 11.256 11.763 -6.487 1.00 0.00 H new ATOM 1160 N GLN A 82 12.715 11.583 -4.113 1.00 0.00 N ATOM 1161 CA GLN A 82 13.857 11.828 -3.240 1.00 0.00 C ATOM 1162 C GLN A 82 13.840 10.884 -2.043 1.00 0.00 C ATOM 1163 O GLN A 82 14.890 10.508 -1.523 1.00 0.00 O ATOM 1164 CB GLN A 82 13.856 13.280 -2.760 1.00 0.00 C ATOM 1165 CG GLN A 82 14.925 13.578 -1.721 1.00 0.00 C ATOM 1166 CD GLN A 82 16.267 13.909 -2.342 1.00 0.00 C ATOM 1167 OE1 GLN A 82 16.687 13.279 -3.313 1.00 0.00 O ATOM 1168 NE2 GLN A 82 16.949 14.903 -1.784 1.00 0.00 N ATOM 0 H GLN A 82 11.821 11.901 -3.738 1.00 0.00 H new ATOM 0 HA GLN A 82 14.766 11.642 -3.812 1.00 0.00 H new ATOM 0 HB2 GLN A 82 14.001 13.937 -3.617 1.00 0.00 H new ATOM 0 HB3 GLN A 82 12.878 13.515 -2.340 1.00 0.00 H new ATOM 0 HG2 GLN A 82 14.600 14.413 -1.101 1.00 0.00 H new ATOM 0 HG3 GLN A 82 15.036 12.716 -1.063 1.00 0.00 H new ATOM 0 HE21 GLN A 82 16.563 15.398 -0.980 1.00 0.00 H new ATOM 0 HE22 GLN A 82 17.859 15.171 -2.159 1.00 0.00 H new ATOM 1177 N GLU A 83 12.642 10.506 -1.611 1.00 0.00 N ATOM 1178 CA GLU A 83 12.489 9.606 -0.473 1.00 0.00 C ATOM 1179 C GLU A 83 11.462 8.519 -0.773 1.00 0.00 C ATOM 1180 O GLU A 83 10.729 8.598 -1.759 1.00 0.00 O ATOM 1181 CB GLU A 83 12.070 10.390 0.773 1.00 0.00 C ATOM 1182 CG GLU A 83 10.677 10.989 0.675 1.00 0.00 C ATOM 1183 CD GLU A 83 10.673 12.354 0.016 1.00 0.00 C ATOM 1184 OE1 GLU A 83 11.223 13.303 0.615 1.00 0.00 O ATOM 1185 OE2 GLU A 83 10.122 12.475 -1.098 1.00 0.00 O ATOM 0 H GLU A 83 11.763 10.808 -2.031 1.00 0.00 H new ATOM 0 HA GLU A 83 13.452 9.130 -0.287 1.00 0.00 H new ATOM 0 HB2 GLU A 83 12.112 9.729 1.639 1.00 0.00 H new ATOM 0 HB3 GLU A 83 12.789 11.190 0.947 1.00 0.00 H new ATOM 0 HG2 GLU A 83 10.035 10.315 0.109 1.00 0.00 H new ATOM 0 HG3 GLU A 83 10.250 11.071 1.675 1.00 0.00 H new ATOM 1192 N ARG A 84 11.415 7.504 0.084 1.00 0.00 N ATOM 1193 CA ARG A 84 10.479 6.400 -0.089 1.00 0.00 C ATOM 1194 C ARG A 84 10.138 5.761 1.253 1.00 0.00 C ATOM 1195 O ARG A 84 10.942 5.780 2.186 1.00 0.00 O ATOM 1196 CB ARG A 84 11.068 5.348 -1.032 1.00 0.00 C ATOM 1197 CG ARG A 84 12.109 4.456 -0.375 1.00 0.00 C ATOM 1198 CD ARG A 84 13.452 5.160 -0.258 1.00 0.00 C ATOM 1199 NE ARG A 84 13.532 5.990 0.941 1.00 0.00 N ATOM 1200 CZ ARG A 84 14.413 6.971 1.098 1.00 0.00 C ATOM 1201 NH1 ARG A 84 15.284 7.245 0.137 1.00 0.00 N ATOM 1202 NH2 ARG A 84 14.424 7.682 2.219 1.00 0.00 N ATOM 0 H ARG A 84 12.015 7.424 0.905 1.00 0.00 H new ATOM 0 HA ARG A 84 9.563 6.798 -0.525 1.00 0.00 H new ATOM 0 HB2 ARG A 84 10.261 4.726 -1.418 1.00 0.00 H new ATOM 0 HB3 ARG A 84 11.520 5.851 -1.887 1.00 0.00 H new ATOM 0 HG2 ARG A 84 11.764 4.161 0.616 1.00 0.00 H new ATOM 0 HG3 ARG A 84 12.226 3.542 -0.957 1.00 0.00 H new ATOM 0 HD2 ARG A 84 14.250 4.418 -0.239 1.00 0.00 H new ATOM 0 HD3 ARG A 84 13.614 5.780 -1.140 1.00 0.00 H new ATOM 0 HE ARG A 84 12.875 5.806 1.699 1.00 0.00 H new ATOM 0 HH11 ARG A 84 15.279 6.702 -0.726 1.00 0.00 H new ATOM 0 HH12 ARG A 84 15.959 7.999 0.261 1.00 0.00 H new ATOM 0 HH21 ARG A 84 13.755 7.475 2.961 1.00 0.00 H new ATOM 0 HH22 ARG A 84 15.101 8.435 2.339 1.00 0.00 H new ATOM 1216 N THR A 85 8.938 5.195 1.346 1.00 0.00 N ATOM 1217 CA THR A 85 8.488 4.552 2.574 1.00 0.00 C ATOM 1218 C THR A 85 8.148 3.086 2.334 1.00 0.00 C ATOM 1219 O THR A 85 7.636 2.723 1.275 1.00 0.00 O ATOM 1220 CB THR A 85 7.255 5.264 3.162 1.00 0.00 C ATOM 1221 OG1 THR A 85 6.789 4.561 4.319 1.00 0.00 O ATOM 1222 CG2 THR A 85 6.139 5.353 2.132 1.00 0.00 C ATOM 0 H THR A 85 8.260 5.169 0.584 1.00 0.00 H new ATOM 0 HA THR A 85 9.311 4.619 3.286 1.00 0.00 H new ATOM 0 HB THR A 85 7.547 6.275 3.445 1.00 0.00 H new ATOM 0 HG1 THR A 85 6.520 5.205 5.007 1.00 0.00 H new ATOM 0 HG21 THR A 85 5.279 5.860 2.570 1.00 0.00 H new ATOM 0 HG22 THR A 85 6.488 5.914 1.265 1.00 0.00 H new ATOM 0 HG23 THR A 85 5.849 4.349 1.822 1.00 0.00 H new ATOM 1230 N SER A 86 8.436 2.247 3.324 1.00 0.00 N ATOM 1231 CA SER A 86 8.163 0.818 3.219 1.00 0.00 C ATOM 1232 C SER A 86 7.175 0.374 4.293 1.00 0.00 C ATOM 1233 O SER A 86 6.970 1.067 5.289 1.00 0.00 O ATOM 1234 CB SER A 86 9.462 0.019 3.342 1.00 0.00 C ATOM 1235 OG SER A 86 10.143 -0.041 2.101 1.00 0.00 O ATOM 0 H SER A 86 8.858 2.532 4.208 1.00 0.00 H new ATOM 0 HA SER A 86 7.720 0.628 2.242 1.00 0.00 H new ATOM 0 HB2 SER A 86 10.106 0.479 4.092 1.00 0.00 H new ATOM 0 HB3 SER A 86 9.240 -0.991 3.688 1.00 0.00 H new ATOM 0 HG SER A 86 10.970 -0.556 2.206 1.00 0.00 H new ATOM 1241 N ALA A 87 6.565 -0.788 4.083 1.00 0.00 N ATOM 1242 CA ALA A 87 5.600 -1.328 5.033 1.00 0.00 C ATOM 1243 C ALA A 87 5.642 -2.852 5.052 1.00 0.00 C ATOM 1244 O ALA A 87 6.228 -3.479 4.169 1.00 0.00 O ATOM 1245 CB ALA A 87 4.199 -0.841 4.696 1.00 0.00 C ATOM 0 H ALA A 87 6.722 -1.374 3.263 1.00 0.00 H new ATOM 0 HA ALA A 87 5.868 -0.971 6.028 1.00 0.00 H new ATOM 0 HB1 ALA A 87 3.489 -1.252 5.413 1.00 0.00 H new ATOM 0 HB2 ALA A 87 4.172 0.248 4.741 1.00 0.00 H new ATOM 0 HB3 ALA A 87 3.931 -1.169 3.692 1.00 0.00 H new ATOM 1251 N THR A 88 5.017 -3.444 6.065 1.00 0.00 N ATOM 1252 CA THR A 88 4.984 -4.895 6.200 1.00 0.00 C ATOM 1253 C THR A 88 3.558 -5.424 6.107 1.00 0.00 C ATOM 1254 O THR A 88 2.687 -5.031 6.885 1.00 0.00 O ATOM 1255 CB THR A 88 5.602 -5.348 7.537 1.00 0.00 C ATOM 1256 OG1 THR A 88 6.863 -4.701 7.739 1.00 0.00 O ATOM 1257 CG2 THR A 88 5.791 -6.857 7.561 1.00 0.00 C ATOM 0 H THR A 88 4.527 -2.941 6.804 1.00 0.00 H new ATOM 0 HA THR A 88 5.573 -5.303 5.379 1.00 0.00 H new ATOM 0 HB THR A 88 4.919 -5.070 8.340 1.00 0.00 H new ATOM 0 HG1 THR A 88 7.248 -4.993 8.592 1.00 0.00 H new ATOM 0 HG21 THR A 88 6.229 -7.154 8.514 1.00 0.00 H new ATOM 0 HG22 THR A 88 4.825 -7.347 7.437 1.00 0.00 H new ATOM 0 HG23 THR A 88 6.455 -7.153 6.749 1.00 0.00 H new ATOM 1265 N LEU A 89 3.325 -6.317 5.152 1.00 0.00 N ATOM 1266 CA LEU A 89 2.002 -6.901 4.957 1.00 0.00 C ATOM 1267 C LEU A 89 1.933 -8.304 5.553 1.00 0.00 C ATOM 1268 O LEU A 89 2.638 -9.213 5.113 1.00 0.00 O ATOM 1269 CB LEU A 89 1.659 -6.950 3.467 1.00 0.00 C ATOM 1270 CG LEU A 89 0.208 -7.292 3.124 1.00 0.00 C ATOM 1271 CD1 LEU A 89 -0.730 -6.207 3.629 1.00 0.00 C ATOM 1272 CD2 LEU A 89 0.047 -7.483 1.623 1.00 0.00 C ATOM 0 H LEU A 89 4.034 -6.653 4.500 1.00 0.00 H new ATOM 0 HA LEU A 89 1.275 -6.272 5.470 1.00 0.00 H new ATOM 0 HB2 LEU A 89 1.897 -5.981 3.028 1.00 0.00 H new ATOM 0 HB3 LEU A 89 2.307 -7.684 2.989 1.00 0.00 H new ATOM 0 HG LEU A 89 -0.052 -8.227 3.620 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -1.758 -6.468 3.376 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -0.634 -6.118 4.711 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -0.471 -5.256 3.163 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -0.991 -7.726 1.396 1.00 0.00 H new ATOM 0 HD22 LEU A 89 0.326 -6.564 1.107 1.00 0.00 H new ATOM 0 HD23 LEU A 89 0.691 -8.296 1.289 1.00 0.00 H new ATOM 1284 N THR A 90 1.078 -8.474 6.556 1.00 0.00 N ATOM 1285 CA THR A 90 0.916 -9.766 7.211 1.00 0.00 C ATOM 1286 C THR A 90 -0.253 -10.542 6.615 1.00 0.00 C ATOM 1287 O THR A 90 -1.407 -10.126 6.721 1.00 0.00 O ATOM 1288 CB THR A 90 0.689 -9.602 8.726 1.00 0.00 C ATOM 1289 OG1 THR A 90 1.800 -8.918 9.317 1.00 0.00 O ATOM 1290 CG2 THR A 90 0.508 -10.957 9.395 1.00 0.00 C ATOM 0 H THR A 90 0.487 -7.733 6.933 1.00 0.00 H new ATOM 0 HA THR A 90 1.839 -10.322 7.047 1.00 0.00 H new ATOM 0 HB THR A 90 -0.218 -9.016 8.874 1.00 0.00 H new ATOM 0 HG1 THR A 90 1.647 -8.816 10.280 1.00 0.00 H new ATOM 0 HG21 THR A 90 0.349 -10.817 10.464 1.00 0.00 H new ATOM 0 HG22 THR A 90 -0.355 -11.463 8.963 1.00 0.00 H new ATOM 0 HG23 THR A 90 1.400 -11.563 9.237 1.00 0.00 H new ATOM 1298 N VAL A 91 0.053 -11.674 5.988 1.00 0.00 N ATOM 1299 CA VAL A 91 -0.973 -12.510 5.376 1.00 0.00 C ATOM 1300 C VAL A 91 -1.059 -13.867 6.065 1.00 0.00 C ATOM 1301 O VAL A 91 -0.150 -14.689 5.955 1.00 0.00 O ATOM 1302 CB VAL A 91 -0.700 -12.725 3.875 1.00 0.00 C ATOM 1303 CG1 VAL A 91 -1.841 -13.498 3.231 1.00 0.00 C ATOM 1304 CG2 VAL A 91 -0.488 -11.390 3.177 1.00 0.00 C ATOM 0 H VAL A 91 1.003 -12.033 5.891 1.00 0.00 H new ATOM 0 HA VAL A 91 -1.921 -11.985 5.494 1.00 0.00 H new ATOM 0 HB VAL A 91 0.211 -13.314 3.769 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.631 -13.641 2.171 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -1.941 -14.470 3.715 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.769 -12.939 3.345 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -0.296 -11.560 2.117 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -1.380 -10.774 3.290 1.00 0.00 H new ATOM 0 HG23 VAL A 91 0.365 -10.878 3.622 1.00 0.00 H new ATOM 1314 N ARG A 92 -2.158 -14.095 6.777 1.00 0.00 N ATOM 1315 CA ARG A 92 -2.363 -15.352 7.485 1.00 0.00 C ATOM 1316 C ARG A 92 -3.084 -16.364 6.599 1.00 0.00 C ATOM 1317 O ARG A 92 -4.032 -16.021 5.892 1.00 0.00 O ATOM 1318 CB ARG A 92 -3.166 -15.116 8.765 1.00 0.00 C ATOM 1319 CG ARG A 92 -2.373 -14.424 9.862 1.00 0.00 C ATOM 1320 CD ARG A 92 -2.855 -14.838 11.244 1.00 0.00 C ATOM 1321 NE ARG A 92 -2.907 -16.289 11.393 1.00 0.00 N ATOM 1322 CZ ARG A 92 -3.656 -16.909 12.299 1.00 0.00 C ATOM 1323 NH1 ARG A 92 -4.413 -16.206 13.130 1.00 0.00 N ATOM 1324 NH2 ARG A 92 -3.650 -18.234 12.373 1.00 0.00 N ATOM 0 H ARG A 92 -2.920 -13.425 6.879 1.00 0.00 H new ATOM 0 HA ARG A 92 -1.385 -15.756 7.747 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -4.043 -14.514 8.528 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -3.528 -16.074 9.139 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -1.316 -14.667 9.756 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -2.464 -13.343 9.752 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -2.191 -14.420 12.000 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -3.845 -14.419 11.423 1.00 0.00 H new ATOM 0 HE ARG A 92 -2.337 -16.858 10.767 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -4.421 -15.188 13.075 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -4.987 -16.684 13.825 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -3.070 -18.778 11.734 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -4.225 -18.709 13.069 1.00 0.00 H new ATOM 1338 N ALA A 93 -2.629 -17.612 6.642 1.00 0.00 N ATOM 1339 CA ALA A 93 -3.231 -18.673 5.845 1.00 0.00 C ATOM 1340 C ALA A 93 -4.569 -19.109 6.433 1.00 0.00 C ATOM 1341 O ALA A 93 -4.716 -19.225 7.650 1.00 0.00 O ATOM 1342 CB ALA A 93 -2.285 -19.860 5.746 1.00 0.00 C ATOM 0 H ALA A 93 -1.845 -17.913 7.221 1.00 0.00 H new ATOM 0 HA ALA A 93 -3.413 -18.283 4.844 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -2.748 -20.645 5.148 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -1.354 -19.545 5.274 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -2.074 -20.242 6.745 1.00 0.00 H new ATOM 1348 N LEU A 94 -5.543 -19.348 5.561 1.00 0.00 N ATOM 1349 CA LEU A 94 -6.870 -19.771 5.994 1.00 0.00 C ATOM 1350 C LEU A 94 -6.818 -21.150 6.644 1.00 0.00 C ATOM 1351 O LEU A 94 -5.934 -21.961 6.366 1.00 0.00 O ATOM 1352 CB LEU A 94 -7.833 -19.791 4.806 1.00 0.00 C ATOM 1353 CG LEU A 94 -8.303 -18.426 4.299 1.00 0.00 C ATOM 1354 CD1 LEU A 94 -8.995 -18.567 2.952 1.00 0.00 C ATOM 1355 CD2 LEU A 94 -9.230 -17.771 5.312 1.00 0.00 C ATOM 0 H LEU A 94 -5.438 -19.256 4.551 1.00 0.00 H new ATOM 0 HA LEU A 94 -7.229 -19.055 6.733 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -7.350 -20.316 3.982 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -8.710 -20.374 5.085 1.00 0.00 H new ATOM 0 HG LEU A 94 -7.430 -17.787 4.170 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -9.323 -17.586 2.607 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -8.300 -18.993 2.229 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -9.859 -19.223 3.054 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -9.554 -16.801 4.935 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -10.100 -18.407 5.473 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -8.700 -17.635 6.255 1.00 0.00 H new