USER MOD reduce.3.24.130724 H: found=0, std=0, add=535, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 531 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 39 SER OG : rot -99:sc= 1.33 USER MOD Set 1.2: A 41 ASN : amide:sc= 0.976 K(o=2.3,f=-2.8) USER MOD Set 2.1: A 18 HIS : no HD1:sc= 0 X(o=1.3,f=1.2) USER MOD Set 2.2: A 22 THR OG1 : rot -30:sc= 1.3 USER MOD Set 2.3: A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 5 THR OG1 : rot -62:sc= 1.17 USER MOD Set 3.2: A 8 GLN : amide:sc= 1.17 K(o=2.3,f=-1.1) USER MOD Single : A 9 GLN : amide:sc= 0.407 X(o=0.41,f=0) USER MOD Single : A 20 SER OG : rot 88:sc= 1.27 USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 46 HIS : no HE2:sc= -0.0249 K(o=-0.025,f=-1.3) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ -115:sc= 0 (180deg=-0.81) USER MOD Single : A 60 SER OG : rot 41:sc= 0.593 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 50 N LEU A 4 -7.857 -1.674 -9.607 1.00 0.00 N ATOM 51 CA LEU A 4 -7.970 -1.620 -8.126 1.00 0.00 C ATOM 52 C LEU A 4 -9.400 -1.911 -7.570 1.00 0.00 C ATOM 53 O LEU A 4 -10.305 -1.079 -7.647 1.00 0.00 O ATOM 54 CB LEU A 4 -7.353 -0.336 -7.498 1.00 0.00 C ATOM 55 CG LEU A 4 -5.853 -0.420 -7.148 1.00 0.00 C ATOM 56 CD1 LEU A 4 -4.943 -0.668 -8.346 1.00 0.00 C ATOM 57 CD2 LEU A 4 -5.427 0.889 -6.461 1.00 0.00 C ATOM 0 HA LEU A 4 -7.354 -2.457 -7.797 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -7.500 0.493 -8.191 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -7.907 -0.095 -6.591 1.00 0.00 H new ATOM 0 HG LEU A 4 -5.738 -1.282 -6.491 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -3.906 -0.713 -8.012 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -5.213 -1.612 -8.819 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -5.058 0.144 -9.064 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -4.368 0.840 -6.209 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -5.601 1.727 -7.136 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -6.010 1.029 -5.551 1.00 0.00 H new ATOM 69 N THR A 5 -9.574 -3.072 -6.930 1.00 0.00 N ATOM 70 CA THR A 5 -10.791 -3.364 -6.115 1.00 0.00 C ATOM 71 C THR A 5 -10.892 -2.457 -4.833 1.00 0.00 C ATOM 72 O THR A 5 -9.872 -2.010 -4.304 1.00 0.00 O ATOM 73 CB THR A 5 -10.840 -4.871 -5.695 1.00 0.00 C ATOM 74 OG1 THR A 5 -9.723 -5.242 -4.891 1.00 0.00 O ATOM 75 CG2 THR A 5 -10.899 -5.858 -6.857 1.00 0.00 C ATOM 0 H THR A 5 -8.896 -3.834 -6.951 1.00 0.00 H new ATOM 0 HA THR A 5 -11.645 -3.137 -6.753 1.00 0.00 H new ATOM 0 HB THR A 5 -11.773 -4.938 -5.135 1.00 0.00 H new ATOM 0 HG1 THR A 5 -8.896 -5.119 -5.403 1.00 0.00 H new ATOM 0 HG21 THR A 5 -10.930 -6.876 -6.469 1.00 0.00 H new ATOM 0 HG22 THR A 5 -11.794 -5.669 -7.450 1.00 0.00 H new ATOM 0 HG23 THR A 5 -10.015 -5.736 -7.484 1.00 0.00 H new ATOM 83 N ALA A 6 -12.105 -2.205 -4.318 1.00 0.00 N ATOM 84 CA ALA A 6 -12.305 -1.311 -3.137 1.00 0.00 C ATOM 85 C ALA A 6 -11.456 -1.571 -1.838 1.00 0.00 C ATOM 86 O ALA A 6 -10.980 -0.616 -1.222 1.00 0.00 O ATOM 87 CB ALA A 6 -13.812 -1.317 -2.840 1.00 0.00 C ATOM 0 H ALA A 6 -12.968 -2.600 -4.690 1.00 0.00 H new ATOM 0 HA ALA A 6 -11.914 -0.336 -3.428 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -14.016 -0.677 -1.982 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -14.355 -0.944 -3.708 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -14.135 -2.334 -2.619 1.00 0.00 H new ATOM 93 N ARG A 7 -11.228 -2.839 -1.470 1.00 0.00 N ATOM 94 CA ARG A 7 -10.271 -3.209 -0.387 1.00 0.00 C ATOM 95 C ARG A 7 -8.744 -3.015 -0.718 1.00 0.00 C ATOM 96 O ARG A 7 -8.003 -2.566 0.160 1.00 0.00 O ATOM 97 CB ARG A 7 -10.646 -4.642 0.050 1.00 0.00 C ATOM 98 CG ARG A 7 -10.099 -5.031 1.438 1.00 0.00 C ATOM 99 CD ARG A 7 -10.599 -6.425 1.846 1.00 0.00 C ATOM 100 NE ARG A 7 -9.840 -6.873 3.031 1.00 0.00 N ATOM 101 CZ ARG A 7 -10.004 -8.013 3.672 1.00 0.00 C ATOM 102 NH1 ARG A 7 -10.891 -8.913 3.365 1.00 0.00 N ATOM 103 NH2 ARG A 7 -9.217 -8.241 4.665 1.00 0.00 N ATOM 0 H ARG A 7 -11.690 -3.639 -1.902 1.00 0.00 H new ATOM 0 HA ARG A 7 -10.379 -2.505 0.439 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -11.732 -4.737 0.058 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -10.269 -5.348 -0.690 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -9.009 -5.020 1.421 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -10.414 -4.295 2.178 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -11.665 -6.393 2.070 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -10.467 -7.129 1.024 1.00 0.00 H new ATOM 0 HE ARG A 7 -9.122 -6.242 3.386 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -11.522 -8.760 2.578 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -10.956 -9.772 3.911 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -8.508 -7.554 4.922 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -9.302 -9.109 5.195 1.00 0.00 H new ATOM 116 N GLN A 8 -8.288 -3.276 -1.962 1.00 0.00 N ATOM 117 CA GLN A 8 -6.975 -2.755 -2.456 1.00 0.00 C ATOM 118 C GLN A 8 -6.841 -1.177 -2.453 1.00 0.00 C ATOM 119 O GLN A 8 -5.806 -0.669 -2.030 1.00 0.00 O ATOM 120 CB GLN A 8 -6.696 -3.210 -3.915 1.00 0.00 C ATOM 121 CG GLN A 8 -6.463 -4.709 -4.142 1.00 0.00 C ATOM 122 CD GLN A 8 -6.348 -5.044 -5.621 1.00 0.00 C ATOM 123 OE1 GLN A 8 -7.349 -5.187 -6.316 1.00 0.00 O ATOM 124 NE2 GLN A 8 -5.158 -5.141 -6.153 1.00 0.00 N ATOM 0 H GLN A 8 -8.797 -3.838 -2.644 1.00 0.00 H new ATOM 0 HA GLN A 8 -6.259 -3.170 -1.747 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -7.538 -2.900 -4.534 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -5.820 -2.672 -4.276 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -5.553 -5.018 -3.627 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -7.285 -5.275 -3.704 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -4.328 -5.021 -5.572 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -5.059 -5.336 -7.149 1.00 0.00 H new ATOM 133 N GLN A 9 -7.866 -0.444 -2.913 1.00 0.00 N ATOM 134 CA GLN A 9 -7.917 1.041 -2.848 1.00 0.00 C ATOM 135 C GLN A 9 -7.796 1.672 -1.422 1.00 0.00 C ATOM 136 O GLN A 9 -7.082 2.666 -1.278 1.00 0.00 O ATOM 137 CB GLN A 9 -9.189 1.474 -3.611 1.00 0.00 C ATOM 138 CG GLN A 9 -9.259 2.960 -4.020 1.00 0.00 C ATOM 139 CD GLN A 9 -8.272 3.401 -5.091 1.00 0.00 C ATOM 140 OE1 GLN A 9 -8.247 2.890 -6.205 1.00 0.00 O ATOM 141 NE2 GLN A 9 -7.441 4.374 -4.819 1.00 0.00 N ATOM 0 H GLN A 9 -8.692 -0.858 -3.345 1.00 0.00 H new ATOM 0 HA GLN A 9 -7.019 1.438 -3.320 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -9.274 0.865 -4.511 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -10.056 1.247 -2.990 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -10.268 3.173 -4.373 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -9.097 3.570 -3.131 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -7.450 4.809 -3.897 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -6.784 4.697 -5.529 1.00 0.00 H new ATOM 150 N GLU A 10 -8.407 1.093 -0.376 1.00 0.00 N ATOM 151 CA GLU A 10 -8.096 1.447 1.041 1.00 0.00 C ATOM 152 C GLU A 10 -6.594 1.242 1.477 1.00 0.00 C ATOM 153 O GLU A 10 -6.005 2.164 2.044 1.00 0.00 O ATOM 154 CB GLU A 10 -9.044 0.674 1.995 1.00 0.00 C ATOM 155 CG GLU A 10 -10.538 1.045 1.928 1.00 0.00 C ATOM 156 CD GLU A 10 -10.883 2.441 2.415 1.00 0.00 C ATOM 157 OE1 GLU A 10 -11.132 2.717 3.582 1.00 0.00 O ATOM 158 OE2 GLU A 10 -10.886 3.358 1.409 1.00 0.00 O ATOM 0 H GLU A 10 -9.124 0.374 -0.473 1.00 0.00 H new ATOM 0 HA GLU A 10 -8.261 2.522 1.112 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -8.947 -0.391 1.783 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -8.699 0.829 3.018 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -10.874 0.945 0.896 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -11.102 0.323 2.518 1.00 0.00 H new ATOM 166 N VAL A 11 -5.981 0.088 1.171 1.00 0.00 N ATOM 167 CA VAL A 11 -4.503 -0.134 1.347 1.00 0.00 C ATOM 168 C VAL A 11 -3.608 0.854 0.513 1.00 0.00 C ATOM 169 O VAL A 11 -2.709 1.471 1.087 1.00 0.00 O ATOM 170 CB VAL A 11 -4.181 -1.650 1.093 1.00 0.00 C ATOM 171 CG1 VAL A 11 -2.675 -1.999 1.096 1.00 0.00 C ATOM 172 CG2 VAL A 11 -4.830 -2.557 2.167 1.00 0.00 C ATOM 0 H VAL A 11 -6.474 -0.722 0.797 1.00 0.00 H new ATOM 0 HA VAL A 11 -4.238 0.107 2.377 1.00 0.00 H new ATOM 0 HB VAL A 11 -4.587 -1.829 0.097 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -2.548 -3.066 0.913 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -2.169 -1.434 0.313 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -2.244 -1.743 2.064 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -4.586 -3.599 1.959 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -4.450 -2.285 3.151 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -5.912 -2.427 2.147 1.00 0.00 H new ATOM 182 N PHE A 12 -3.874 1.022 -0.792 1.00 0.00 N ATOM 183 CA PHE A 12 -3.211 2.048 -1.643 1.00 0.00 C ATOM 184 C PHE A 12 -3.344 3.531 -1.167 1.00 0.00 C ATOM 185 O PHE A 12 -2.323 4.209 -1.077 1.00 0.00 O ATOM 186 CB PHE A 12 -3.702 1.818 -3.094 1.00 0.00 C ATOM 187 CG PHE A 12 -2.951 2.644 -4.145 1.00 0.00 C ATOM 188 CD1 PHE A 12 -1.642 2.308 -4.525 1.00 0.00 C ATOM 189 CD2 PHE A 12 -3.548 3.780 -4.709 1.00 0.00 C ATOM 190 CE1 PHE A 12 -0.948 3.094 -5.443 1.00 0.00 C ATOM 191 CE2 PHE A 12 -2.857 4.557 -5.639 1.00 0.00 C ATOM 192 CZ PHE A 12 -1.564 4.208 -6.010 1.00 0.00 C ATOM 0 H PHE A 12 -4.555 0.454 -1.297 1.00 0.00 H new ATOM 0 HA PHE A 12 -2.133 1.907 -1.566 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -3.601 0.760 -3.338 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -4.764 2.057 -3.150 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -1.169 1.434 -4.103 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -4.552 4.056 -4.421 1.00 0.00 H new ATOM 0 HE1 PHE A 12 0.066 2.840 -5.715 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -3.326 5.429 -6.070 1.00 0.00 H new ATOM 0 HZ PHE A 12 -1.035 4.802 -6.740 1.00 0.00 H new ATOM 202 N ASP A 13 -4.550 4.009 -0.821 1.00 0.00 N ATOM 203 CA ASP A 13 -4.723 5.317 -0.128 1.00 0.00 C ATOM 204 C ASP A 13 -3.914 5.494 1.212 1.00 0.00 C ATOM 205 O ASP A 13 -3.383 6.579 1.434 1.00 0.00 O ATOM 206 CB ASP A 13 -6.227 5.583 0.127 1.00 0.00 C ATOM 207 CG ASP A 13 -6.980 6.127 -1.074 1.00 0.00 C ATOM 208 OD1 ASP A 13 -7.130 7.325 -1.283 1.00 0.00 O ATOM 209 OD2 ASP A 13 -7.473 5.143 -1.874 1.00 0.00 O ATOM 0 H ASP A 13 -5.425 3.518 -1.005 1.00 0.00 H new ATOM 0 HA ASP A 13 -4.299 6.053 -0.811 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -6.699 4.654 0.446 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -6.324 6.289 0.952 1.00 0.00 H new ATOM 215 N LEU A 14 -3.791 4.464 2.061 1.00 0.00 N ATOM 216 CA LEU A 14 -2.938 4.523 3.283 1.00 0.00 C ATOM 217 C LEU A 14 -1.393 4.641 3.019 1.00 0.00 C ATOM 218 O LEU A 14 -0.756 5.534 3.587 1.00 0.00 O ATOM 219 CB LEU A 14 -3.313 3.315 4.180 1.00 0.00 C ATOM 220 CG LEU A 14 -3.368 3.540 5.704 1.00 0.00 C ATOM 221 CD1 LEU A 14 -2.047 3.999 6.310 1.00 0.00 C ATOM 222 CD2 LEU A 14 -4.495 4.508 6.087 1.00 0.00 C ATOM 0 H LEU A 14 -4.269 3.572 1.934 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.151 5.460 3.798 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.289 2.951 3.860 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.596 2.518 3.985 1.00 0.00 H new ATOM 0 HG LEU A 14 -3.577 2.559 6.130 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.168 4.135 7.385 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.280 3.247 6.123 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.747 4.943 5.856 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.506 4.644 7.168 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -4.329 5.470 5.602 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.452 4.099 5.764 1.00 0.00 H new ATOM 234 N ILE A 15 -0.805 3.807 2.138 1.00 0.00 N ATOM 235 CA ILE A 15 0.590 4.027 1.632 1.00 0.00 C ATOM 236 C ILE A 15 0.843 5.392 0.877 1.00 0.00 C ATOM 237 O ILE A 15 1.851 6.052 1.137 1.00 0.00 O ATOM 238 CB ILE A 15 1.196 2.809 0.837 1.00 0.00 C ATOM 239 CG1 ILE A 15 0.390 2.394 -0.411 1.00 0.00 C ATOM 240 CG2 ILE A 15 1.411 1.584 1.754 1.00 0.00 C ATOM 241 CD1 ILE A 15 1.159 1.525 -1.403 1.00 0.00 C ATOM 0 H ILE A 15 -1.260 2.977 1.757 1.00 0.00 H new ATOM 0 HA ILE A 15 1.147 4.108 2.565 1.00 0.00 H new ATOM 0 HB ILE A 15 2.158 3.171 0.475 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -0.501 1.854 -0.089 1.00 0.00 H new ATOM 0 HG13 ILE A 15 0.050 3.294 -0.924 1.00 0.00 H new ATOM 0 HG21 ILE A 15 1.830 0.763 1.172 1.00 0.00 H new ATOM 0 HG22 ILE A 15 2.099 1.847 2.558 1.00 0.00 H new ATOM 0 HG23 ILE A 15 0.456 1.276 2.180 1.00 0.00 H new ATOM 0 HD11 ILE A 15 0.515 1.281 -2.248 1.00 0.00 H new ATOM 0 HD12 ILE A 15 2.035 2.067 -1.759 1.00 0.00 H new ATOM 0 HD13 ILE A 15 1.476 0.605 -0.911 1.00 0.00 H new ATOM 253 N ARG A 16 -0.083 5.812 0.009 1.00 0.00 N ATOM 254 CA ARG A 16 -0.069 7.151 -0.639 1.00 0.00 C ATOM 255 C ARG A 16 -0.220 8.382 0.316 1.00 0.00 C ATOM 256 O ARG A 16 0.473 9.375 0.095 1.00 0.00 O ATOM 257 CB ARG A 16 -1.150 7.076 -1.743 1.00 0.00 C ATOM 258 CG ARG A 16 -1.155 8.237 -2.752 1.00 0.00 C ATOM 259 CD ARG A 16 -2.067 7.975 -3.964 1.00 0.00 C ATOM 260 NE ARG A 16 -3.503 7.967 -3.601 1.00 0.00 N ATOM 261 CZ ARG A 16 -4.510 7.995 -4.462 1.00 0.00 C ATOM 262 NH1 ARG A 16 -4.380 8.055 -5.755 1.00 0.00 N ATOM 263 NH2 ARG A 16 -5.708 7.972 -3.991 1.00 0.00 N ATOM 0 H ARG A 16 -0.875 5.235 -0.274 1.00 0.00 H new ATOM 0 HA ARG A 16 0.922 7.351 -1.048 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -1.019 6.143 -2.291 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -2.129 7.030 -1.265 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -1.481 9.147 -2.249 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -0.137 8.413 -3.101 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -1.891 8.740 -4.720 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -1.803 7.017 -4.413 1.00 0.00 H new ATOM 0 HE ARG A 16 -3.736 7.938 -2.608 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -3.450 8.084 -6.173 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -5.208 8.073 -6.351 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -5.859 7.933 -2.983 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -6.506 7.992 -4.626 1.00 0.00 H new ATOM 276 N ASP A 17 -1.064 8.327 1.359 1.00 0.00 N ATOM 277 CA ASP A 17 -1.193 9.410 2.378 1.00 0.00 C ATOM 278 C ASP A 17 0.095 9.704 3.227 1.00 0.00 C ATOM 279 O ASP A 17 0.470 10.872 3.354 1.00 0.00 O ATOM 280 CB ASP A 17 -2.413 9.036 3.254 1.00 0.00 C ATOM 281 CG ASP A 17 -2.921 10.141 4.157 1.00 0.00 C ATOM 282 OD1 ASP A 17 -2.673 10.216 5.356 1.00 0.00 O ATOM 283 OD2 ASP A 17 -3.683 11.045 3.486 1.00 0.00 O ATOM 0 H ASP A 17 -1.682 7.534 1.530 1.00 0.00 H new ATOM 0 HA ASP A 17 -1.337 10.359 1.862 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -3.226 8.720 2.601 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -2.148 8.177 3.871 1.00 0.00 H new ATOM 289 N HIS A 18 0.767 8.679 3.774 1.00 0.00 N ATOM 290 CA HIS A 18 2.111 8.839 4.400 1.00 0.00 C ATOM 291 C HIS A 18 3.224 9.403 3.441 1.00 0.00 C ATOM 292 O HIS A 18 3.886 10.373 3.812 1.00 0.00 O ATOM 293 CB HIS A 18 2.546 7.468 4.962 1.00 0.00 C ATOM 294 CG HIS A 18 2.021 7.110 6.348 1.00 0.00 C ATOM 295 ND1 HIS A 18 2.777 7.246 7.503 1.00 0.00 N ATOM 296 CD2 HIS A 18 0.783 6.519 6.639 1.00 0.00 C ATOM 297 CE1 HIS A 18 1.890 6.733 8.411 1.00 0.00 C ATOM 298 NE2 HIS A 18 0.688 6.245 7.984 1.00 0.00 N ATOM 0 H HIS A 18 0.410 7.724 3.801 1.00 0.00 H new ATOM 0 HA HIS A 18 2.008 9.589 5.184 1.00 0.00 H new ATOM 0 HB2 HIS A 18 2.225 6.695 4.264 1.00 0.00 H new ATOM 0 HB3 HIS A 18 3.635 7.440 4.991 1.00 0.00 H new ATOM 0 HD2 HIS A 18 0.014 6.309 5.911 1.00 0.00 H new ATOM 0 HE1 HIS A 18 2.140 6.714 9.462 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -0.065 5.803 8.512 1.00 0.00 H new ATOM 306 N ILE A 19 3.389 8.847 2.230 1.00 0.00 N ATOM 307 CA ILE A 19 4.363 9.374 1.218 1.00 0.00 C ATOM 308 C ILE A 19 4.028 10.828 0.707 1.00 0.00 C ATOM 309 O ILE A 19 4.952 11.630 0.571 1.00 0.00 O ATOM 310 CB ILE A 19 4.566 8.316 0.064 1.00 0.00 C ATOM 311 CG1 ILE A 19 5.207 7.003 0.623 1.00 0.00 C ATOM 312 CG2 ILE A 19 5.478 8.840 -1.075 1.00 0.00 C ATOM 313 CD1 ILE A 19 5.161 5.806 -0.324 1.00 0.00 C ATOM 0 H ILE A 19 2.867 8.030 1.913 1.00 0.00 H new ATOM 0 HA ILE A 19 5.324 9.504 1.716 1.00 0.00 H new ATOM 0 HB ILE A 19 3.572 8.123 -0.340 1.00 0.00 H new ATOM 0 HG12 ILE A 19 6.247 7.205 0.878 1.00 0.00 H new ATOM 0 HG13 ILE A 19 4.698 6.734 1.549 1.00 0.00 H new ATOM 0 HG21 ILE A 19 5.582 8.071 -1.841 1.00 0.00 H new ATOM 0 HG22 ILE A 19 5.034 9.733 -1.515 1.00 0.00 H new ATOM 0 HG23 ILE A 19 6.460 9.085 -0.671 1.00 0.00 H new ATOM 0 HD11 ILE A 19 5.629 4.946 0.154 1.00 0.00 H new ATOM 0 HD12 ILE A 19 4.124 5.569 -0.561 1.00 0.00 H new ATOM 0 HD13 ILE A 19 5.697 6.047 -1.242 1.00 0.00 H new ATOM 325 N SER A 20 2.756 11.172 0.458 1.00 0.00 N ATOM 326 CA SER A 20 2.337 12.548 0.078 1.00 0.00 C ATOM 327 C SER A 20 2.610 13.679 1.132 1.00 0.00 C ATOM 328 O SER A 20 3.156 14.720 0.766 1.00 0.00 O ATOM 329 CB SER A 20 0.823 12.511 -0.276 1.00 0.00 C ATOM 330 OG SER A 20 0.529 11.609 -1.347 1.00 0.00 O ATOM 0 H SER A 20 1.981 10.511 0.512 1.00 0.00 H new ATOM 0 HA SER A 20 2.965 12.825 -0.769 1.00 0.00 H new ATOM 0 HB2 SER A 20 0.255 12.218 0.607 1.00 0.00 H new ATOM 0 HB3 SER A 20 0.493 13.513 -0.549 1.00 0.00 H new ATOM 0 HG SER A 20 0.374 10.711 -0.985 1.00 0.00 H new ATOM 336 N GLN A 21 2.235 13.476 2.404 1.00 0.00 N ATOM 337 CA GLN A 21 2.473 14.472 3.482 1.00 0.00 C ATOM 338 C GLN A 21 3.880 14.399 4.186 1.00 0.00 C ATOM 339 O GLN A 21 4.407 15.446 4.561 1.00 0.00 O ATOM 340 CB GLN A 21 1.339 14.355 4.538 1.00 0.00 C ATOM 341 CG GLN A 21 0.008 15.043 4.166 1.00 0.00 C ATOM 342 CD GLN A 21 -0.847 14.447 3.066 1.00 0.00 C ATOM 343 OE1 GLN A 21 -1.064 15.032 2.013 1.00 0.00 O ATOM 344 NE2 GLN A 21 -1.400 13.277 3.258 1.00 0.00 N ATOM 0 H GLN A 21 1.763 12.629 2.721 1.00 0.00 H new ATOM 0 HA GLN A 21 2.469 15.444 2.989 1.00 0.00 H new ATOM 0 HB2 GLN A 21 1.143 13.298 4.719 1.00 0.00 H new ATOM 0 HB3 GLN A 21 1.696 14.778 5.477 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -0.602 15.088 5.068 1.00 0.00 H new ATOM 0 HG3 GLN A 21 0.237 16.071 3.884 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -1.234 12.771 4.128 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -1.998 12.871 2.538 1.00 0.00 H new ATOM 353 N THR A 22 4.434 13.200 4.409 1.00 0.00 N ATOM 354 CA THR A 22 5.718 13.010 5.147 1.00 0.00 C ATOM 355 C THR A 22 6.920 12.394 4.331 1.00 0.00 C ATOM 356 O THR A 22 8.054 12.486 4.804 1.00 0.00 O ATOM 357 CB THR A 22 5.510 12.141 6.442 1.00 0.00 C ATOM 358 OG1 THR A 22 5.080 10.816 6.149 1.00 0.00 O ATOM 359 CG2 THR A 22 4.527 12.720 7.455 1.00 0.00 C ATOM 0 H THR A 22 4.016 12.327 4.089 1.00 0.00 H new ATOM 0 HA THR A 22 6.007 14.034 5.383 1.00 0.00 H new ATOM 0 HB THR A 22 6.505 12.140 6.888 1.00 0.00 H new ATOM 0 HG1 THR A 22 4.548 10.819 5.326 1.00 0.00 H new ATOM 0 HG21 THR A 22 4.451 12.051 8.312 1.00 0.00 H new ATOM 0 HG22 THR A 22 4.880 13.696 7.787 1.00 0.00 H new ATOM 0 HG23 THR A 22 3.547 12.827 6.990 1.00 0.00 H new ATOM 367 N GLY A 23 6.695 11.744 3.177 1.00 0.00 N ATOM 368 CA GLY A 23 7.765 11.018 2.441 1.00 0.00 C ATOM 369 C GLY A 23 7.917 9.494 2.665 1.00 0.00 C ATOM 370 O GLY A 23 8.400 8.808 1.764 1.00 0.00 O ATOM 0 H GLY A 23 5.781 11.702 2.726 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.603 11.181 1.376 1.00 0.00 H new ATOM 0 HA3 GLY A 23 8.716 11.486 2.694 1.00 0.00 H new ATOM 374 N MET A 24 7.558 8.969 3.842 1.00 0.00 N ATOM 375 CA MET A 24 7.917 7.591 4.260 1.00 0.00 C ATOM 376 C MET A 24 6.922 6.455 3.852 1.00 0.00 C ATOM 377 O MET A 24 5.733 6.578 4.157 1.00 0.00 O ATOM 378 CB MET A 24 8.225 7.599 5.785 1.00 0.00 C ATOM 379 CG MET A 24 7.044 7.854 6.730 1.00 0.00 C ATOM 380 SD MET A 24 7.646 8.155 8.399 1.00 0.00 S ATOM 381 CE MET A 24 6.102 8.698 9.150 1.00 0.00 C ATOM 0 H MET A 24 7.012 9.478 4.537 1.00 0.00 H new ATOM 0 HA MET A 24 8.805 7.320 3.689 1.00 0.00 H new ATOM 0 HB2 MET A 24 8.668 6.638 6.047 1.00 0.00 H new ATOM 0 HB3 MET A 24 8.982 8.360 5.974 1.00 0.00 H new ATOM 0 HG2 MET A 24 6.468 8.711 6.382 1.00 0.00 H new ATOM 0 HG3 MET A 24 6.372 6.996 6.726 1.00 0.00 H new ATOM 0 HE1 MET A 24 6.272 8.934 10.200 1.00 0.00 H new ATOM 0 HE2 MET A 24 5.738 9.586 8.632 1.00 0.00 H new ATOM 0 HE3 MET A 24 5.360 7.903 9.072 1.00 0.00 H new ATOM 391 N PRO A 25 7.340 5.314 3.232 1.00 0.00 N ATOM 392 CA PRO A 25 6.425 4.148 2.991 1.00 0.00 C ATOM 393 C PRO A 25 5.998 3.356 4.267 1.00 0.00 C ATOM 394 O PRO A 25 6.877 2.756 4.889 1.00 0.00 O ATOM 395 CB PRO A 25 7.245 3.269 2.007 1.00 0.00 C ATOM 396 CG PRO A 25 8.273 4.219 1.364 1.00 0.00 C ATOM 397 CD PRO A 25 8.611 5.208 2.484 1.00 0.00 C ATOM 0 HA PRO A 25 5.460 4.479 2.606 1.00 0.00 H new ATOM 0 HB2 PRO A 25 7.740 2.451 2.531 1.00 0.00 H new ATOM 0 HB3 PRO A 25 6.600 2.820 1.252 1.00 0.00 H new ATOM 0 HG2 PRO A 25 9.158 3.680 1.026 1.00 0.00 H new ATOM 0 HG3 PRO A 25 7.858 4.727 0.494 1.00 0.00 H new ATOM 0 HD2 PRO A 25 9.421 4.841 3.115 1.00 0.00 H new ATOM 0 HD3 PRO A 25 8.927 6.173 2.088 1.00 0.00 H new ATOM 405 N PRO A 26 4.716 3.279 4.709 1.00 0.00 N ATOM 406 CA PRO A 26 4.374 2.690 6.046 1.00 0.00 C ATOM 407 C PRO A 26 4.422 1.141 6.151 1.00 0.00 C ATOM 408 O PRO A 26 4.389 0.399 5.165 1.00 0.00 O ATOM 409 CB PRO A 26 2.982 3.315 6.324 1.00 0.00 C ATOM 410 CG PRO A 26 2.373 3.545 4.930 1.00 0.00 C ATOM 411 CD PRO A 26 3.578 3.962 4.070 1.00 0.00 C ATOM 0 HA PRO A 26 5.123 2.927 6.802 1.00 0.00 H new ATOM 0 HB2 PRO A 26 2.361 2.649 6.923 1.00 0.00 H new ATOM 0 HB3 PRO A 26 3.071 4.250 6.877 1.00 0.00 H new ATOM 0 HG2 PRO A 26 1.900 2.641 4.545 1.00 0.00 H new ATOM 0 HG3 PRO A 26 1.608 4.321 4.950 1.00 0.00 H new ATOM 0 HD2 PRO A 26 3.456 3.651 3.032 1.00 0.00 H new ATOM 0 HD3 PRO A 26 3.711 5.044 4.065 1.00 0.00 H new ATOM 419 N THR A 27 4.524 0.669 7.395 1.00 0.00 N ATOM 420 CA THR A 27 4.681 -0.778 7.715 1.00 0.00 C ATOM 421 C THR A 27 3.322 -1.562 7.841 1.00 0.00 C ATOM 422 O THR A 27 2.252 -0.978 8.014 1.00 0.00 O ATOM 423 CB THR A 27 5.526 -0.951 9.030 1.00 0.00 C ATOM 424 OG1 THR A 27 4.963 -0.246 10.133 1.00 0.00 O ATOM 425 CG2 THR A 27 6.979 -0.500 8.909 1.00 0.00 C ATOM 0 H THR A 27 4.502 1.268 8.220 1.00 0.00 H new ATOM 0 HA THR A 27 5.204 -1.217 6.865 1.00 0.00 H new ATOM 0 HB THR A 27 5.503 -2.028 9.199 1.00 0.00 H new ATOM 0 HG1 THR A 27 5.520 -0.384 10.928 1.00 0.00 H new ATOM 0 HG21 THR A 27 7.488 -0.654 9.860 1.00 0.00 H new ATOM 0 HG22 THR A 27 7.477 -1.081 8.133 1.00 0.00 H new ATOM 0 HG23 THR A 27 7.011 0.558 8.648 1.00 0.00 H new ATOM 433 N ARG A 28 3.399 -2.904 7.795 1.00 0.00 N ATOM 434 CA ARG A 28 2.238 -3.838 7.992 1.00 0.00 C ATOM 435 C ARG A 28 1.195 -3.494 9.111 1.00 0.00 C ATOM 436 O ARG A 28 0.010 -3.343 8.807 1.00 0.00 O ATOM 437 CB ARG A 28 2.907 -5.232 8.170 1.00 0.00 C ATOM 438 CG ARG A 28 1.963 -6.431 8.376 1.00 0.00 C ATOM 439 CD ARG A 28 2.754 -7.731 8.602 1.00 0.00 C ATOM 440 NE ARG A 28 1.858 -8.740 9.212 1.00 0.00 N ATOM 441 CZ ARG A 28 2.232 -9.921 9.670 1.00 0.00 C ATOM 442 NH1 ARG A 28 3.442 -10.392 9.594 1.00 0.00 N ATOM 443 NH2 ARG A 28 1.330 -10.646 10.236 1.00 0.00 N ATOM 0 H ARG A 28 4.276 -3.394 7.618 1.00 0.00 H new ATOM 0 HA ARG A 28 1.574 -3.770 7.130 1.00 0.00 H new ATOM 0 HB2 ARG A 28 3.521 -5.429 7.291 1.00 0.00 H new ATOM 0 HB3 ARG A 28 3.581 -5.179 9.025 1.00 0.00 H new ATOM 0 HG2 ARG A 28 1.315 -6.244 9.232 1.00 0.00 H new ATOM 0 HG3 ARG A 28 1.317 -6.542 7.505 1.00 0.00 H new ATOM 0 HD2 ARG A 28 3.149 -8.101 7.656 1.00 0.00 H new ATOM 0 HD3 ARG A 28 3.608 -7.544 9.252 1.00 0.00 H new ATOM 0 HE ARG A 28 0.869 -8.503 9.285 1.00 0.00 H new ATOM 0 HH11 ARG A 28 4.178 -9.838 9.157 1.00 0.00 H new ATOM 0 HH12 ARG A 28 3.654 -11.315 9.972 1.00 0.00 H new ATOM 0 HH21 ARG A 28 0.374 -10.300 10.315 1.00 0.00 H new ATOM 0 HH22 ARG A 28 1.572 -11.566 10.605 1.00 0.00 H new ATOM 456 N ALA A 29 1.635 -3.361 10.372 1.00 0.00 N ATOM 457 CA ALA A 29 0.767 -2.884 11.480 1.00 0.00 C ATOM 458 C ALA A 29 0.276 -1.400 11.390 1.00 0.00 C ATOM 459 O ALA A 29 -0.900 -1.147 11.643 1.00 0.00 O ATOM 460 CB ALA A 29 1.528 -3.165 12.783 1.00 0.00 C ATOM 0 H ALA A 29 2.590 -3.576 10.659 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.175 -3.430 11.424 1.00 0.00 H new ATOM 0 HB1 ALA A 29 0.931 -2.832 13.632 1.00 0.00 H new ATOM 0 HB2 ALA A 29 1.717 -4.235 12.870 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.477 -2.628 12.773 1.00 0.00 H new ATOM 466 N GLU A 30 1.137 -0.453 10.992 1.00 0.00 N ATOM 467 CA GLU A 30 0.732 0.956 10.689 1.00 0.00 C ATOM 468 C GLU A 30 -0.361 1.143 9.581 1.00 0.00 C ATOM 469 O GLU A 30 -1.302 1.909 9.793 1.00 0.00 O ATOM 470 CB GLU A 30 2.067 1.682 10.403 1.00 0.00 C ATOM 471 CG GLU A 30 1.987 3.205 10.197 1.00 0.00 C ATOM 472 CD GLU A 30 3.354 3.879 10.123 1.00 0.00 C ATOM 473 OE1 GLU A 30 3.672 4.850 10.801 1.00 0.00 O ATOM 474 OE2 GLU A 30 4.189 3.289 9.224 1.00 0.00 O ATOM 0 H GLU A 30 2.134 -0.626 10.867 1.00 0.00 H new ATOM 0 HA GLU A 30 0.197 1.388 11.534 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.748 1.485 11.231 1.00 0.00 H new ATOM 0 HB3 GLU A 30 2.512 1.240 9.512 1.00 0.00 H new ATOM 0 HG2 GLU A 30 1.438 3.412 9.278 1.00 0.00 H new ATOM 0 HG3 GLU A 30 1.417 3.645 11.015 1.00 0.00 H new ATOM 482 N ILE A 31 -0.274 0.422 8.453 1.00 0.00 N ATOM 483 CA ILE A 31 -1.374 0.335 7.437 1.00 0.00 C ATOM 484 C ILE A 31 -2.701 -0.274 8.031 1.00 0.00 C ATOM 485 O ILE A 31 -3.744 0.381 7.982 1.00 0.00 O ATOM 486 CB ILE A 31 -0.854 -0.438 6.165 1.00 0.00 C ATOM 487 CG1 ILE A 31 0.321 0.302 5.457 1.00 0.00 C ATOM 488 CG2 ILE A 31 -1.961 -0.674 5.104 1.00 0.00 C ATOM 489 CD1 ILE A 31 1.180 -0.621 4.589 1.00 0.00 C ATOM 0 H ILE A 31 0.552 -0.122 8.205 1.00 0.00 H new ATOM 0 HA ILE A 31 -1.647 1.345 7.132 1.00 0.00 H new ATOM 0 HB ILE A 31 -0.513 -1.397 6.556 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -0.083 1.101 4.836 1.00 0.00 H new ATOM 0 HG13 ILE A 31 0.952 0.772 6.211 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.541 -1.210 4.253 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -2.766 -1.263 5.543 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -2.355 0.286 4.770 1.00 0.00 H new ATOM 0 HD11 ILE A 31 1.980 -0.044 4.125 1.00 0.00 H new ATOM 0 HD12 ILE A 31 1.612 -1.406 5.210 1.00 0.00 H new ATOM 0 HD13 ILE A 31 0.561 -1.072 3.814 1.00 0.00 H new ATOM 501 N ALA A 32 -2.643 -1.495 8.584 1.00 0.00 N ATOM 502 CA ALA A 32 -3.802 -2.164 9.222 1.00 0.00 C ATOM 503 C ALA A 32 -4.515 -1.438 10.410 1.00 0.00 C ATOM 504 O ALA A 32 -5.746 -1.384 10.425 1.00 0.00 O ATOM 505 CB ALA A 32 -3.258 -3.540 9.647 1.00 0.00 C ATOM 0 H ALA A 32 -1.790 -2.054 8.605 1.00 0.00 H new ATOM 0 HA ALA A 32 -4.616 -2.190 8.497 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.050 -4.111 10.132 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -2.908 -4.080 8.767 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -2.430 -3.405 10.343 1.00 0.00 H new ATOM 511 N GLN A 33 -3.767 -0.891 11.376 1.00 0.00 N ATOM 512 CA GLN A 33 -4.341 -0.123 12.513 1.00 0.00 C ATOM 513 C GLN A 33 -4.987 1.264 12.161 1.00 0.00 C ATOM 514 O GLN A 33 -5.971 1.624 12.808 1.00 0.00 O ATOM 515 CB GLN A 33 -3.249 0.063 13.606 1.00 0.00 C ATOM 516 CG GLN A 33 -2.855 -1.242 14.336 1.00 0.00 C ATOM 517 CD GLN A 33 -1.742 -1.065 15.356 1.00 0.00 C ATOM 518 OE1 GLN A 33 -0.566 -1.278 15.088 1.00 0.00 O ATOM 519 NE2 GLN A 33 -2.060 -0.686 16.567 1.00 0.00 N ATOM 0 H GLN A 33 -2.750 -0.962 11.401 1.00 0.00 H new ATOM 0 HA GLN A 33 -5.178 -0.725 12.867 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -2.359 0.491 13.145 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -3.606 0.784 14.341 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -3.734 -1.645 14.838 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -2.543 -1.980 13.597 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -3.035 -0.505 16.805 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -1.333 -0.572 17.273 1.00 0.00 H new ATOM 528 N ARG A 34 -4.467 2.021 11.179 1.00 0.00 N ATOM 529 CA ARG A 34 -5.149 3.243 10.681 1.00 0.00 C ATOM 530 C ARG A 34 -6.431 2.978 9.799 1.00 0.00 C ATOM 531 O ARG A 34 -7.448 3.629 10.043 1.00 0.00 O ATOM 532 CB ARG A 34 -4.170 4.153 9.908 1.00 0.00 C ATOM 533 CG ARG A 34 -3.018 4.796 10.710 1.00 0.00 C ATOM 534 CD ARG A 34 -2.813 6.297 10.424 1.00 0.00 C ATOM 535 NE ARG A 34 -2.499 6.555 8.998 1.00 0.00 N ATOM 536 CZ ARG A 34 -2.624 7.719 8.380 1.00 0.00 C ATOM 537 NH1 ARG A 34 -2.960 8.833 8.961 1.00 0.00 N ATOM 538 NH2 ARG A 34 -2.399 7.747 7.113 1.00 0.00 N ATOM 0 H ARG A 34 -3.583 1.816 10.713 1.00 0.00 H new ATOM 0 HA ARG A 34 -5.499 3.743 11.584 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -3.732 3.568 9.099 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -4.747 4.954 9.446 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -3.212 4.663 11.774 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -2.093 4.265 10.486 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -3.714 6.845 10.701 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -2.004 6.677 11.048 1.00 0.00 H new ATOM 0 HE ARG A 34 -2.157 5.768 8.446 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -3.148 8.849 9.963 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -3.035 9.691 8.414 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -2.135 6.892 6.623 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -2.484 8.624 6.599 1.00 0.00 H new ATOM 551 N LEU A 35 -6.390 2.083 8.794 1.00 0.00 N ATOM 552 CA LEU A 35 -7.585 1.791 7.941 1.00 0.00 C ATOM 553 C LEU A 35 -8.709 0.905 8.568 1.00 0.00 C ATOM 554 O LEU A 35 -9.885 1.155 8.298 1.00 0.00 O ATOM 555 CB LEU A 35 -7.119 1.350 6.528 1.00 0.00 C ATOM 556 CG LEU A 35 -6.632 -0.095 6.317 1.00 0.00 C ATOM 557 CD1 LEU A 35 -7.780 -1.040 5.943 1.00 0.00 C ATOM 558 CD2 LEU A 35 -5.605 -0.142 5.172 1.00 0.00 C ATOM 0 H LEU A 35 -5.558 1.549 8.545 1.00 0.00 H new ATOM 0 HA LEU A 35 -8.129 2.732 7.854 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -7.947 1.521 5.841 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -6.311 2.016 6.226 1.00 0.00 H new ATOM 0 HG LEU A 35 -6.191 -0.418 7.260 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -7.390 -2.048 5.804 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -8.522 -1.045 6.741 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -8.245 -0.700 5.018 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -5.266 -1.168 5.029 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -6.068 0.218 4.253 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -4.753 0.491 5.421 1.00 0.00 H new ATOM 570 N GLY A 36 -8.356 -0.127 9.351 1.00 0.00 N ATOM 571 CA GLY A 36 -9.333 -1.045 9.977 1.00 0.00 C ATOM 572 C GLY A 36 -9.227 -2.528 9.576 1.00 0.00 C ATOM 573 O GLY A 36 -10.199 -3.098 9.076 1.00 0.00 O ATOM 0 H GLY A 36 -7.386 -0.352 9.571 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -9.225 -0.974 11.059 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -10.336 -0.695 9.734 1.00 0.00 H new ATOM 577 N PHE A 37 -8.090 -3.167 9.871 1.00 0.00 N ATOM 578 CA PHE A 37 -7.943 -4.639 9.776 1.00 0.00 C ATOM 579 C PHE A 37 -7.629 -5.241 11.196 1.00 0.00 C ATOM 580 O PHE A 37 -6.682 -4.835 11.875 1.00 0.00 O ATOM 581 CB PHE A 37 -6.804 -5.043 8.808 1.00 0.00 C ATOM 582 CG PHE A 37 -6.976 -4.803 7.300 1.00 0.00 C ATOM 583 CD1 PHE A 37 -8.222 -4.869 6.642 1.00 0.00 C ATOM 584 CD2 PHE A 37 -5.828 -4.595 6.525 1.00 0.00 C ATOM 585 CE1 PHE A 37 -8.306 -4.718 5.257 1.00 0.00 C ATOM 586 CE2 PHE A 37 -5.914 -4.452 5.138 1.00 0.00 C ATOM 587 CZ PHE A 37 -7.152 -4.514 4.507 1.00 0.00 C ATOM 0 H PHE A 37 -7.244 -2.689 10.182 1.00 0.00 H new ATOM 0 HA PHE A 37 -8.884 -5.033 9.392 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -5.904 -4.515 9.123 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -6.615 -6.107 8.951 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -9.121 -5.038 7.216 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -4.863 -4.544 7.007 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -9.268 -4.760 4.767 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -5.019 -4.293 4.555 1.00 0.00 H new ATOM 0 HZ PHE A 37 -7.218 -4.404 3.435 1.00 0.00 H new ATOM 597 N ARG A 38 -8.407 -6.252 11.587 1.00 0.00 N ATOM 598 CA ARG A 38 -8.117 -7.093 12.778 1.00 0.00 C ATOM 599 C ARG A 38 -6.806 -7.949 12.744 1.00 0.00 C ATOM 600 O ARG A 38 -6.101 -8.009 13.754 1.00 0.00 O ATOM 601 CB ARG A 38 -9.385 -7.916 13.124 1.00 0.00 C ATOM 602 CG ARG A 38 -9.809 -9.111 12.247 1.00 0.00 C ATOM 603 CD ARG A 38 -10.322 -8.803 10.833 1.00 0.00 C ATOM 604 NE ARG A 38 -9.204 -8.773 9.860 1.00 0.00 N ATOM 605 CZ ARG A 38 -9.241 -8.256 8.646 1.00 0.00 C ATOM 606 NH1 ARG A 38 -10.283 -7.686 8.117 1.00 0.00 N ATOM 607 NH2 ARG A 38 -8.159 -8.312 7.950 1.00 0.00 N ATOM 0 H ARG A 38 -9.259 -6.521 11.095 1.00 0.00 H new ATOM 0 HA ARG A 38 -7.880 -6.403 13.587 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -9.257 -8.292 14.139 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -10.224 -7.220 13.146 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -8.955 -9.782 12.157 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -10.589 -9.657 12.777 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -11.050 -9.557 10.534 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -10.838 -7.843 10.830 1.00 0.00 H new ATOM 0 HE ARG A 38 -8.322 -9.192 10.157 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -11.151 -7.615 8.649 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -10.233 -7.309 7.170 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -7.322 -8.743 8.342 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -8.139 -7.926 7.006 1.00 0.00 H new ATOM 620 N SER A 39 -6.492 -8.587 11.608 1.00 0.00 N ATOM 621 CA SER A 39 -5.246 -9.365 11.426 1.00 0.00 C ATOM 622 C SER A 39 -4.283 -8.627 10.438 1.00 0.00 C ATOM 623 O SER A 39 -4.566 -8.637 9.232 1.00 0.00 O ATOM 624 CB SER A 39 -5.643 -10.781 10.948 1.00 0.00 C ATOM 625 OG SER A 39 -4.531 -11.671 11.019 1.00 0.00 O ATOM 0 H SER A 39 -7.093 -8.582 10.784 1.00 0.00 H new ATOM 0 HA SER A 39 -4.694 -9.458 12.361 1.00 0.00 H new ATOM 0 HB2 SER A 39 -6.459 -11.162 11.563 1.00 0.00 H new ATOM 0 HB3 SER A 39 -6.011 -10.734 9.923 1.00 0.00 H new ATOM 0 HG SER A 39 -4.127 -11.761 10.131 1.00 0.00 H new ATOM 631 N PRO A 40 -3.149 -7.994 10.866 1.00 0.00 N ATOM 632 CA PRO A 40 -2.246 -7.218 9.941 1.00 0.00 C ATOM 633 C PRO A 40 -1.643 -7.854 8.666 1.00 0.00 C ATOM 634 O PRO A 40 -1.280 -7.109 7.752 1.00 0.00 O ATOM 635 CB PRO A 40 -1.148 -6.691 10.904 1.00 0.00 C ATOM 636 CG PRO A 40 -1.892 -6.509 12.241 1.00 0.00 C ATOM 637 CD PRO A 40 -2.845 -7.717 12.291 1.00 0.00 C ATOM 0 HA PRO A 40 -2.869 -6.485 9.429 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -0.324 -7.398 10.997 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -0.723 -5.751 10.551 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -1.203 -6.506 13.086 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -2.438 -5.566 12.271 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -2.377 -8.575 12.773 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -3.749 -7.489 12.855 1.00 0.00 H new ATOM 645 N ASN A 41 -1.585 -9.191 8.561 1.00 0.00 N ATOM 646 CA ASN A 41 -1.215 -9.890 7.295 1.00 0.00 C ATOM 647 C ASN A 41 -2.016 -9.521 5.995 1.00 0.00 C ATOM 648 O ASN A 41 -1.429 -9.529 4.912 1.00 0.00 O ATOM 649 CB ASN A 41 -1.169 -11.421 7.532 1.00 0.00 C ATOM 650 CG ASN A 41 -2.488 -12.114 7.818 1.00 0.00 C ATOM 651 OD1 ASN A 41 -3.124 -11.895 8.841 1.00 0.00 O ATOM 652 ND2 ASN A 41 -2.963 -12.961 6.943 1.00 0.00 N ATOM 0 H ASN A 41 -1.789 -9.823 9.336 1.00 0.00 H new ATOM 0 HA ASN A 41 -0.224 -9.503 7.059 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -0.726 -11.887 6.652 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -0.497 -11.614 8.368 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -3.852 -13.429 7.117 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -2.444 -13.154 6.086 1.00 0.00 H new ATOM 659 N ALA A 42 -3.305 -9.164 6.113 1.00 0.00 N ATOM 660 CA ALA A 42 -4.070 -8.509 5.024 1.00 0.00 C ATOM 661 C ALA A 42 -3.446 -7.234 4.361 1.00 0.00 C ATOM 662 O ALA A 42 -3.527 -7.108 3.139 1.00 0.00 O ATOM 663 CB ALA A 42 -5.461 -8.222 5.612 1.00 0.00 C ATOM 0 H ALA A 42 -3.851 -9.318 6.961 1.00 0.00 H new ATOM 0 HA ALA A 42 -4.081 -9.193 4.175 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.081 -7.736 4.859 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.927 -9.159 5.917 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.362 -7.567 6.478 1.00 0.00 H new ATOM 669 N ALA A 43 -2.791 -6.338 5.121 1.00 0.00 N ATOM 670 CA ALA A 43 -2.030 -5.201 4.542 1.00 0.00 C ATOM 671 C ALA A 43 -0.860 -5.575 3.573 1.00 0.00 C ATOM 672 O ALA A 43 -0.851 -5.074 2.448 1.00 0.00 O ATOM 673 CB ALA A 43 -1.570 -4.328 5.717 1.00 0.00 C ATOM 0 H ALA A 43 -2.770 -6.374 6.140 1.00 0.00 H new ATOM 0 HA ALA A 43 -2.698 -4.658 3.873 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -1.004 -3.477 5.338 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -2.440 -3.970 6.267 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.938 -4.917 6.382 1.00 0.00 H new ATOM 679 N GLU A 44 0.069 -6.468 3.965 1.00 0.00 N ATOM 680 CA GLU A 44 1.076 -7.026 3.016 1.00 0.00 C ATOM 681 C GLU A 44 0.541 -8.019 1.918 1.00 0.00 C ATOM 682 O GLU A 44 1.078 -8.003 0.809 1.00 0.00 O ATOM 683 CB GLU A 44 2.278 -7.644 3.779 1.00 0.00 C ATOM 684 CG GLU A 44 3.250 -6.579 4.336 1.00 0.00 C ATOM 685 CD GLU A 44 4.571 -7.144 4.832 1.00 0.00 C ATOM 686 OE1 GLU A 44 4.896 -7.204 6.012 1.00 0.00 O ATOM 687 OE2 GLU A 44 5.373 -7.552 3.812 1.00 0.00 O ATOM 0 H GLU A 44 0.151 -6.821 4.919 1.00 0.00 H new ATOM 0 HA GLU A 44 1.396 -6.155 2.444 1.00 0.00 H new ATOM 0 HB2 GLU A 44 1.905 -8.253 4.602 1.00 0.00 H new ATOM 0 HB3 GLU A 44 2.822 -8.311 3.110 1.00 0.00 H new ATOM 0 HG2 GLU A 44 3.451 -5.843 3.557 1.00 0.00 H new ATOM 0 HG3 GLU A 44 2.763 -6.051 5.155 1.00 0.00 H new ATOM 695 N GLU A 45 -0.494 -8.830 2.181 1.00 0.00 N ATOM 696 CA GLU A 45 -1.186 -9.621 1.117 1.00 0.00 C ATOM 697 C GLU A 45 -1.876 -8.772 -0.008 1.00 0.00 C ATOM 698 O GLU A 45 -1.690 -9.077 -1.188 1.00 0.00 O ATOM 699 CB GLU A 45 -2.158 -10.595 1.825 1.00 0.00 C ATOM 700 CG GLU A 45 -2.718 -11.734 0.950 1.00 0.00 C ATOM 701 CD GLU A 45 -1.706 -12.802 0.566 1.00 0.00 C ATOM 702 OE1 GLU A 45 -1.436 -13.770 1.269 1.00 0.00 O ATOM 703 OE2 GLU A 45 -1.128 -12.561 -0.641 1.00 0.00 O ATOM 0 H GLU A 45 -0.880 -8.965 3.115 1.00 0.00 H new ATOM 0 HA GLU A 45 -0.432 -10.170 0.553 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -1.643 -11.037 2.678 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -2.995 -10.020 2.220 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -3.542 -12.209 1.482 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -3.133 -11.303 0.039 1.00 0.00 H new ATOM 711 N HIS A 46 -2.600 -7.693 0.334 1.00 0.00 N ATOM 712 CA HIS A 46 -2.990 -6.654 -0.658 1.00 0.00 C ATOM 713 C HIS A 46 -1.801 -5.878 -1.313 1.00 0.00 C ATOM 714 O HIS A 46 -1.850 -5.682 -2.524 1.00 0.00 O ATOM 715 CB HIS A 46 -3.993 -5.653 -0.040 1.00 0.00 C ATOM 716 CG HIS A 46 -5.403 -6.216 0.141 1.00 0.00 C ATOM 717 ND1 HIS A 46 -6.210 -6.592 -0.926 1.00 0.00 N ATOM 718 CD2 HIS A 46 -6.061 -6.437 1.361 1.00 0.00 C ATOM 719 CE1 HIS A 46 -7.292 -7.053 -0.228 1.00 0.00 C ATOM 720 NE2 HIS A 46 -7.279 -7.030 1.137 1.00 0.00 N ATOM 0 H HIS A 46 -2.930 -7.510 1.282 1.00 0.00 H new ATOM 0 HA HIS A 46 -3.458 -7.212 -1.469 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -3.615 -5.328 0.930 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -4.045 -4.768 -0.674 1.00 0.00 H new ATOM 0 HD1 HIS A 46 -6.045 -6.540 -1.931 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -5.667 -6.179 2.333 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -8.154 -7.434 -0.755 1.00 0.00 H new ATOM 728 N LEU A 47 -0.748 -5.481 -0.579 1.00 0.00 N ATOM 729 CA LEU A 47 0.507 -4.933 -1.185 1.00 0.00 C ATOM 730 C LEU A 47 1.143 -5.781 -2.353 1.00 0.00 C ATOM 731 O LEU A 47 1.469 -5.220 -3.399 1.00 0.00 O ATOM 732 CB LEU A 47 1.508 -4.697 -0.025 1.00 0.00 C ATOM 733 CG LEU A 47 2.609 -3.653 -0.293 1.00 0.00 C ATOM 734 CD1 LEU A 47 2.067 -2.227 -0.145 1.00 0.00 C ATOM 735 CD2 LEU A 47 3.764 -3.850 0.701 1.00 0.00 C ATOM 0 H LEU A 47 -0.728 -5.524 0.440 1.00 0.00 H new ATOM 0 HA LEU A 47 0.247 -4.005 -1.694 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.947 -4.388 0.857 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.985 -5.647 0.217 1.00 0.00 H new ATOM 0 HG LEU A 47 2.962 -3.792 -1.315 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.866 -1.512 -0.340 1.00 0.00 H new ATOM 0 HD12 LEU A 47 1.258 -2.070 -0.858 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.691 -2.084 0.868 1.00 0.00 H new ATOM 0 HD21 LEU A 47 4.540 -3.110 0.508 1.00 0.00 H new ATOM 0 HD22 LEU A 47 3.393 -3.730 1.719 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.179 -4.851 0.582 1.00 0.00 H new ATOM 747 N LYS A 48 1.229 -7.112 -2.204 1.00 0.00 N ATOM 748 CA LYS A 48 1.498 -8.047 -3.333 1.00 0.00 C ATOM 749 C LYS A 48 0.512 -7.943 -4.565 1.00 0.00 C ATOM 750 O LYS A 48 0.986 -7.887 -5.700 1.00 0.00 O ATOM 751 CB LYS A 48 1.502 -9.502 -2.787 1.00 0.00 C ATOM 752 CG LYS A 48 2.647 -9.836 -1.809 1.00 0.00 C ATOM 753 CD LYS A 48 2.439 -11.230 -1.191 1.00 0.00 C ATOM 754 CE LYS A 48 3.502 -11.621 -0.156 1.00 0.00 C ATOM 755 NZ LYS A 48 4.777 -11.996 -0.804 1.00 0.00 N ATOM 0 H LYS A 48 1.116 -7.580 -1.305 1.00 0.00 H new ATOM 0 HA LYS A 48 2.469 -7.753 -3.732 1.00 0.00 H new ATOM 0 HB2 LYS A 48 0.552 -9.687 -2.285 1.00 0.00 H new ATOM 0 HB3 LYS A 48 1.555 -10.189 -3.631 1.00 0.00 H new ATOM 0 HG2 LYS A 48 3.602 -9.803 -2.333 1.00 0.00 H new ATOM 0 HG3 LYS A 48 2.690 -9.085 -1.020 1.00 0.00 H new ATOM 0 HD2 LYS A 48 1.457 -11.263 -0.718 1.00 0.00 H new ATOM 0 HD3 LYS A 48 2.434 -11.972 -1.989 1.00 0.00 H new ATOM 0 HE2 LYS A 48 3.671 -10.788 0.526 1.00 0.00 H new ATOM 0 HE3 LYS A 48 3.138 -12.455 0.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 5.473 -12.255 -0.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 4.620 -12.807 -1.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 5.136 -11.191 -1.356 1.00 0.00 H new ATOM 768 N ALA A 49 -0.810 -7.882 -4.341 1.00 0.00 N ATOM 769 CA ALA A 49 -1.798 -7.568 -5.407 1.00 0.00 C ATOM 770 C ALA A 49 -1.731 -6.139 -6.057 1.00 0.00 C ATOM 771 O ALA A 49 -1.913 -6.035 -7.270 1.00 0.00 O ATOM 772 CB ALA A 49 -3.185 -7.866 -4.817 1.00 0.00 C ATOM 0 H ALA A 49 -1.230 -8.046 -3.426 1.00 0.00 H new ATOM 0 HA ALA A 49 -1.554 -8.197 -6.264 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -3.951 -7.651 -5.562 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -3.241 -8.916 -4.531 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -3.348 -7.242 -3.938 1.00 0.00 H new ATOM 778 N LEU A 50 -1.455 -5.062 -5.299 1.00 0.00 N ATOM 779 CA LEU A 50 -1.081 -3.741 -5.879 1.00 0.00 C ATOM 780 C LEU A 50 0.229 -3.737 -6.775 1.00 0.00 C ATOM 781 O LEU A 50 0.221 -3.098 -7.830 1.00 0.00 O ATOM 782 CB LEU A 50 -0.943 -2.665 -4.767 1.00 0.00 C ATOM 783 CG LEU A 50 -2.182 -2.024 -4.119 1.00 0.00 C ATOM 784 CD1 LEU A 50 -3.217 -1.554 -5.133 1.00 0.00 C ATOM 785 CD2 LEU A 50 -2.861 -2.866 -3.049 1.00 0.00 C ATOM 0 H LEU A 50 -1.482 -5.072 -4.279 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.906 -3.503 -6.551 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -0.359 -3.112 -3.963 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.345 -1.853 -5.182 1.00 0.00 H new ATOM 0 HG LEU A 50 -1.761 -1.154 -3.615 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.065 -1.112 -4.609 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.769 -0.810 -5.792 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.559 -2.403 -5.725 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.722 -2.327 -2.654 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -3.191 -3.810 -3.484 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.157 -3.065 -2.241 1.00 0.00 H new ATOM 797 N ALA A 51 1.301 -4.437 -6.374 1.00 0.00 N ATOM 798 CA ALA A 51 2.469 -4.700 -7.256 1.00 0.00 C ATOM 799 C ALA A 51 2.198 -5.594 -8.517 1.00 0.00 C ATOM 800 O ALA A 51 2.655 -5.248 -9.607 1.00 0.00 O ATOM 801 CB ALA A 51 3.567 -5.291 -6.359 1.00 0.00 C ATOM 0 H ALA A 51 1.392 -4.837 -5.440 1.00 0.00 H new ATOM 0 HA ALA A 51 2.765 -3.754 -7.710 1.00 0.00 H new ATOM 0 HB1 ALA A 51 4.452 -5.504 -6.959 1.00 0.00 H new ATOM 0 HB2 ALA A 51 3.822 -4.576 -5.577 1.00 0.00 H new ATOM 0 HB3 ALA A 51 3.207 -6.214 -5.903 1.00 0.00 H new ATOM 807 N ARG A 52 1.431 -6.687 -8.382 1.00 0.00 N ATOM 808 CA ARG A 52 0.890 -7.472 -9.537 1.00 0.00 C ATOM 809 C ARG A 52 0.022 -6.663 -10.560 1.00 0.00 C ATOM 810 O ARG A 52 0.221 -6.825 -11.766 1.00 0.00 O ATOM 811 CB ARG A 52 0.164 -8.681 -8.903 1.00 0.00 C ATOM 812 CG ARG A 52 -0.237 -9.852 -9.819 1.00 0.00 C ATOM 813 CD ARG A 52 -1.525 -9.686 -10.637 1.00 0.00 C ATOM 814 NE ARG A 52 -2.712 -9.582 -9.753 1.00 0.00 N ATOM 815 CZ ARG A 52 -3.872 -9.040 -10.086 1.00 0.00 C ATOM 816 NH1 ARG A 52 -4.153 -8.557 -11.260 1.00 0.00 N ATOM 817 NH2 ARG A 52 -4.782 -8.981 -9.177 1.00 0.00 N ATOM 0 H ARG A 52 1.160 -7.064 -7.474 1.00 0.00 H new ATOM 0 HA ARG A 52 1.705 -7.790 -10.187 1.00 0.00 H new ATOM 0 HB2 ARG A 52 0.805 -9.079 -8.116 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -0.741 -8.311 -8.421 1.00 0.00 H new ATOM 0 HG2 ARG A 52 0.584 -10.036 -10.512 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -0.340 -10.745 -9.202 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -1.452 -8.794 -11.259 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -1.643 -10.535 -11.311 1.00 0.00 H new ATOM 0 HE ARG A 52 -2.627 -9.960 -8.810 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -3.453 -8.581 -12.002 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -5.073 -8.155 -11.439 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -4.594 -9.344 -8.243 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -5.691 -8.571 -9.391 1.00 0.00 H new ATOM 830 N LYS A 53 -0.876 -5.772 -10.108 1.00 0.00 N ATOM 831 CA LYS A 53 -1.542 -4.783 -11.000 1.00 0.00 C ATOM 832 C LYS A 53 -0.659 -3.600 -11.577 1.00 0.00 C ATOM 833 O LYS A 53 -1.148 -2.881 -12.451 1.00 0.00 O ATOM 834 CB LYS A 53 -2.799 -4.201 -10.280 1.00 0.00 C ATOM 835 CG LYS A 53 -3.931 -5.230 -10.085 1.00 0.00 C ATOM 836 CD LYS A 53 -5.272 -4.580 -9.718 1.00 0.00 C ATOM 837 CE LYS A 53 -6.407 -5.588 -9.462 1.00 0.00 C ATOM 838 NZ LYS A 53 -6.811 -6.307 -10.690 1.00 0.00 N ATOM 0 H LYS A 53 -1.164 -5.709 -9.131 1.00 0.00 H new ATOM 0 HA LYS A 53 -1.796 -5.363 -11.887 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -2.502 -3.812 -9.306 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -3.180 -3.359 -10.857 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -4.052 -5.808 -11.001 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -3.646 -5.932 -9.301 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -5.135 -3.968 -8.826 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -5.571 -3.908 -10.523 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -6.086 -6.310 -8.711 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -7.270 -5.063 -9.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -7.790 -6.054 -10.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -6.179 -6.041 -11.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -6.749 -7.332 -10.528 1.00 0.00 H new ATOM 851 N GLY A 54 0.592 -3.409 -11.129 1.00 0.00 N ATOM 852 CA GLY A 54 1.520 -2.414 -11.727 1.00 0.00 C ATOM 853 C GLY A 54 1.713 -1.036 -11.060 1.00 0.00 C ATOM 854 O GLY A 54 2.606 -0.304 -11.487 1.00 0.00 O ATOM 0 H GLY A 54 0.994 -3.930 -10.350 1.00 0.00 H new ATOM 0 HA2 GLY A 54 2.502 -2.884 -11.789 1.00 0.00 H new ATOM 0 HA3 GLY A 54 1.187 -2.235 -12.749 1.00 0.00 H new ATOM 858 N VAL A 55 0.916 -0.665 -10.053 1.00 0.00 N ATOM 859 CA VAL A 55 0.972 0.696 -9.429 1.00 0.00 C ATOM 860 C VAL A 55 2.028 0.936 -8.284 1.00 0.00 C ATOM 861 O VAL A 55 2.160 2.071 -7.815 1.00 0.00 O ATOM 862 CB VAL A 55 -0.493 1.102 -9.052 1.00 0.00 C ATOM 863 CG1 VAL A 55 -1.045 0.449 -7.778 1.00 0.00 C ATOM 864 CG2 VAL A 55 -0.681 2.627 -8.998 1.00 0.00 C ATOM 0 H VAL A 55 0.215 -1.279 -9.638 1.00 0.00 H new ATOM 0 HA VAL A 55 1.384 1.372 -10.178 1.00 0.00 H new ATOM 0 HB VAL A 55 -1.088 0.699 -9.872 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -2.064 0.794 -7.604 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -1.044 -0.635 -7.895 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.419 0.723 -6.928 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.713 2.857 -8.733 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -0.011 3.050 -8.250 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.453 3.057 -9.973 1.00 0.00 H new ATOM 874 N ILE A 56 2.778 -0.082 -7.841 1.00 0.00 N ATOM 875 CA ILE A 56 3.868 0.083 -6.838 1.00 0.00 C ATOM 876 C ILE A 56 5.096 -0.848 -7.146 1.00 0.00 C ATOM 877 O ILE A 56 4.931 -2.009 -7.532 1.00 0.00 O ATOM 878 CB ILE A 56 3.412 -0.119 -5.338 1.00 0.00 C ATOM 879 CG1 ILE A 56 2.786 -1.498 -5.049 1.00 0.00 C ATOM 880 CG2 ILE A 56 2.479 1.016 -4.881 1.00 0.00 C ATOM 881 CD1 ILE A 56 2.598 -1.828 -3.573 1.00 0.00 C ATOM 0 H ILE A 56 2.656 -1.044 -8.159 1.00 0.00 H new ATOM 0 HA ILE A 56 4.167 1.126 -6.938 1.00 0.00 H new ATOM 0 HB ILE A 56 4.329 -0.082 -4.750 1.00 0.00 H new ATOM 0 HG12 ILE A 56 1.816 -1.550 -5.543 1.00 0.00 H new ATOM 0 HG13 ILE A 56 3.414 -2.266 -5.500 1.00 0.00 H new ATOM 0 HG21 ILE A 56 2.183 0.849 -3.845 1.00 0.00 H new ATOM 0 HG22 ILE A 56 3.001 1.970 -4.960 1.00 0.00 H new ATOM 0 HG23 ILE A 56 1.592 1.035 -5.514 1.00 0.00 H new ATOM 0 HD11 ILE A 56 2.152 -2.818 -3.475 1.00 0.00 H new ATOM 0 HD12 ILE A 56 3.566 -1.815 -3.071 1.00 0.00 H new ATOM 0 HD13 ILE A 56 1.942 -1.087 -3.115 1.00 0.00 H new ATOM 893 N GLU A 57 6.315 -0.354 -6.886 1.00 0.00 N ATOM 894 CA GLU A 57 7.531 -1.214 -6.844 1.00 0.00 C ATOM 895 C GLU A 57 7.965 -1.430 -5.359 1.00 0.00 C ATOM 896 O GLU A 57 8.398 -0.496 -4.678 1.00 0.00 O ATOM 897 CB GLU A 57 8.622 -0.546 -7.713 1.00 0.00 C ATOM 898 CG GLU A 57 9.867 -1.429 -7.941 1.00 0.00 C ATOM 899 CD GLU A 57 10.943 -0.729 -8.755 1.00 0.00 C ATOM 900 OE1 GLU A 57 11.866 -0.089 -8.262 1.00 0.00 O ATOM 901 OE2 GLU A 57 10.769 -0.889 -10.094 1.00 0.00 O ATOM 0 H GLU A 57 6.496 0.632 -6.701 1.00 0.00 H new ATOM 0 HA GLU A 57 7.341 -2.206 -7.255 1.00 0.00 H new ATOM 0 HB2 GLU A 57 8.193 -0.284 -8.680 1.00 0.00 H new ATOM 0 HB3 GLU A 57 8.931 0.385 -7.238 1.00 0.00 H new ATOM 0 HG2 GLU A 57 10.281 -1.722 -6.976 1.00 0.00 H new ATOM 0 HG3 GLU A 57 9.569 -2.345 -8.452 1.00 0.00 H new ATOM 909 N ILE A 58 7.848 -2.667 -4.865 1.00 0.00 N ATOM 910 CA ILE A 58 8.283 -3.034 -3.481 1.00 0.00 C ATOM 911 C ILE A 58 9.821 -3.363 -3.507 1.00 0.00 C ATOM 912 O ILE A 58 10.270 -4.222 -4.273 1.00 0.00 O ATOM 913 CB ILE A 58 7.446 -4.247 -2.920 1.00 0.00 C ATOM 914 CG1 ILE A 58 5.906 -4.009 -2.943 1.00 0.00 C ATOM 915 CG2 ILE A 58 7.855 -4.574 -1.455 1.00 0.00 C ATOM 916 CD1 ILE A 58 5.087 -5.301 -2.848 1.00 0.00 C ATOM 0 H ILE A 58 7.456 -3.446 -5.393 1.00 0.00 H new ATOM 0 HA ILE A 58 8.104 -2.194 -2.810 1.00 0.00 H new ATOM 0 HB ILE A 58 7.673 -5.078 -3.587 1.00 0.00 H new ATOM 0 HG12 ILE A 58 5.635 -3.354 -2.115 1.00 0.00 H new ATOM 0 HG13 ILE A 58 5.641 -3.487 -3.862 1.00 0.00 H new ATOM 0 HG21 ILE A 58 7.263 -5.414 -1.091 1.00 0.00 H new ATOM 0 HG22 ILE A 58 8.913 -4.834 -1.422 1.00 0.00 H new ATOM 0 HG23 ILE A 58 7.675 -3.703 -0.824 1.00 0.00 H new ATOM 0 HD11 ILE A 58 4.024 -5.060 -2.870 1.00 0.00 H new ATOM 0 HD12 ILE A 58 5.330 -5.948 -3.691 1.00 0.00 H new ATOM 0 HD13 ILE A 58 5.324 -5.814 -1.916 1.00 0.00 H new ATOM 928 N VAL A 59 10.608 -2.697 -2.657 1.00 0.00 N ATOM 929 CA VAL A 59 12.085 -2.924 -2.578 1.00 0.00 C ATOM 930 C VAL A 59 12.376 -4.230 -1.756 1.00 0.00 C ATOM 931 O VAL A 59 11.999 -4.345 -0.584 1.00 0.00 O ATOM 932 CB VAL A 59 12.797 -1.669 -1.967 1.00 0.00 C ATOM 933 CG1 VAL A 59 14.335 -1.830 -1.891 1.00 0.00 C ATOM 934 CG2 VAL A 59 12.549 -0.368 -2.771 1.00 0.00 C ATOM 0 H VAL A 59 10.262 -1.992 -2.006 1.00 0.00 H new ATOM 0 HA VAL A 59 12.490 -3.065 -3.580 1.00 0.00 H new ATOM 0 HB VAL A 59 12.358 -1.594 -0.972 1.00 0.00 H new ATOM 0 HG11 VAL A 59 14.774 -0.930 -1.460 1.00 0.00 H new ATOM 0 HG12 VAL A 59 14.580 -2.689 -1.266 1.00 0.00 H new ATOM 0 HG13 VAL A 59 14.735 -1.984 -2.893 1.00 0.00 H new ATOM 0 HG21 VAL A 59 13.071 0.461 -2.292 1.00 0.00 H new ATOM 0 HG22 VAL A 59 12.921 -0.492 -3.788 1.00 0.00 H new ATOM 0 HG23 VAL A 59 11.480 -0.156 -2.799 1.00 0.00 H new ATOM 944 N SER A 60 13.053 -5.202 -2.381 1.00 0.00 N ATOM 945 CA SER A 60 13.311 -6.531 -1.766 1.00 0.00 C ATOM 946 C SER A 60 14.446 -6.538 -0.689 1.00 0.00 C ATOM 947 O SER A 60 15.608 -6.837 -0.979 1.00 0.00 O ATOM 948 CB SER A 60 13.589 -7.530 -2.924 1.00 0.00 C ATOM 949 OG SER A 60 14.821 -7.258 -3.598 1.00 0.00 O ATOM 0 H SER A 60 13.439 -5.101 -3.320 1.00 0.00 H new ATOM 0 HA SER A 60 12.429 -6.829 -1.199 1.00 0.00 H new ATOM 0 HB2 SER A 60 13.612 -8.545 -2.526 1.00 0.00 H new ATOM 0 HB3 SER A 60 12.769 -7.487 -3.641 1.00 0.00 H new ATOM 0 HG SER A 60 15.508 -7.021 -2.941 1.00 0.00 H new ATOM 955 N GLY A 61 14.062 -6.203 0.548 1.00 0.00 N ATOM 956 CA GLY A 61 15.015 -6.038 1.676 1.00 0.00 C ATOM 957 C GLY A 61 15.189 -4.588 2.164 1.00 0.00 C ATOM 958 O GLY A 61 16.290 -4.044 2.086 1.00 0.00 O ATOM 0 H GLY A 61 13.089 -6.037 0.805 1.00 0.00 H new ATOM 0 HA2 GLY A 61 14.677 -6.650 2.512 1.00 0.00 H new ATOM 0 HA3 GLY A 61 15.988 -6.424 1.371 1.00 0.00 H new ATOM 962 N ALA A 62 14.116 -3.980 2.686 1.00 0.00 N ATOM 963 CA ALA A 62 14.129 -2.565 3.127 1.00 0.00 C ATOM 964 C ALA A 62 13.108 -2.304 4.279 1.00 0.00 C ATOM 965 O ALA A 62 11.925 -2.645 4.174 1.00 0.00 O ATOM 966 CB ALA A 62 13.794 -1.683 1.908 1.00 0.00 C ATOM 0 H ALA A 62 13.217 -4.444 2.817 1.00 0.00 H new ATOM 0 HA ALA A 62 15.116 -2.323 3.520 1.00 0.00 H new ATOM 0 HB1 ALA A 62 13.797 -0.634 2.206 1.00 0.00 H new ATOM 0 HB2 ALA A 62 14.540 -1.841 1.129 1.00 0.00 H new ATOM 0 HB3 ALA A 62 12.808 -1.949 1.526 1.00 0.00 H new ATOM 972 N SER A 63 13.558 -1.637 5.351 1.00 0.00 N ATOM 973 CA SER A 63 12.638 -1.088 6.385 1.00 0.00 C ATOM 974 C SER A 63 11.987 0.245 5.901 1.00 0.00 C ATOM 975 O SER A 63 12.638 1.291 5.881 1.00 0.00 O ATOM 976 CB SER A 63 13.440 -0.907 7.693 1.00 0.00 C ATOM 977 OG SER A 63 12.610 -0.403 8.740 1.00 0.00 O ATOM 0 H SER A 63 14.546 -1.460 5.534 1.00 0.00 H new ATOM 0 HA SER A 63 11.814 -1.778 6.566 1.00 0.00 H new ATOM 0 HB2 SER A 63 13.871 -1.862 7.994 1.00 0.00 H new ATOM 0 HB3 SER A 63 14.271 -0.222 7.522 1.00 0.00 H new ATOM 0 HG SER A 63 13.141 -0.299 9.557 1.00 0.00 H new ATOM 983 N ARG A 64 10.712 0.165 5.494 1.00 0.00 N ATOM 984 CA ARG A 64 9.970 1.285 4.841 1.00 0.00 C ATOM 985 C ARG A 64 10.465 1.606 3.380 1.00 0.00 C ATOM 986 O ARG A 64 11.006 2.680 3.106 1.00 0.00 O ATOM 987 CB ARG A 64 9.814 2.542 5.745 1.00 0.00 C ATOM 988 CG ARG A 64 9.054 2.273 7.064 1.00 0.00 C ATOM 989 CD ARG A 64 8.600 3.568 7.746 1.00 0.00 C ATOM 990 NE ARG A 64 8.027 3.231 9.072 1.00 0.00 N ATOM 991 CZ ARG A 64 7.211 3.991 9.775 1.00 0.00 C ATOM 992 NH1 ARG A 64 6.721 5.125 9.370 1.00 0.00 N ATOM 993 NH2 ARG A 64 6.865 3.566 10.942 1.00 0.00 N ATOM 0 H ARG A 64 10.151 -0.680 5.604 1.00 0.00 H new ATOM 0 HA ARG A 64 8.954 0.911 4.711 1.00 0.00 H new ATOM 0 HB2 ARG A 64 10.804 2.933 5.980 1.00 0.00 H new ATOM 0 HB3 ARG A 64 9.289 3.317 5.186 1.00 0.00 H new ATOM 0 HG2 ARG A 64 8.185 1.648 6.859 1.00 0.00 H new ATOM 0 HG3 ARG A 64 9.696 1.713 7.743 1.00 0.00 H new ATOM 0 HD2 ARG A 64 9.442 4.250 7.861 1.00 0.00 H new ATOM 0 HD3 ARG A 64 7.858 4.078 7.132 1.00 0.00 H new ATOM 0 HE ARG A 64 8.288 2.331 9.476 1.00 0.00 H new ATOM 0 HH11 ARG A 64 6.963 5.485 8.447 1.00 0.00 H new ATOM 0 HH12 ARG A 64 6.094 5.655 9.975 1.00 0.00 H new ATOM 0 HH21 ARG A 64 7.221 2.674 11.286 1.00 0.00 H new ATOM 0 HH22 ARG A 64 6.235 4.121 11.521 1.00 0.00 H new ATOM 1006 N GLY A 65 10.239 0.667 2.442 1.00 0.00 N ATOM 1007 CA GLY A 65 10.704 0.804 1.037 1.00 0.00 C ATOM 1008 C GLY A 65 9.687 0.346 -0.023 1.00 0.00 C ATOM 1009 O GLY A 65 9.767 -0.775 -0.527 1.00 0.00 O ATOM 0 H GLY A 65 9.736 -0.201 2.627 1.00 0.00 H new ATOM 0 HA2 GLY A 65 10.956 1.848 0.852 1.00 0.00 H new ATOM 0 HA3 GLY A 65 11.621 0.228 0.914 1.00 0.00 H new ATOM 1013 N ILE A 66 8.751 1.229 -0.369 1.00 0.00 N ATOM 1014 CA ILE A 66 7.732 0.982 -1.430 1.00 0.00 C ATOM 1015 C ILE A 66 7.695 2.284 -2.319 1.00 0.00 C ATOM 1016 O ILE A 66 7.338 3.362 -1.832 1.00 0.00 O ATOM 1017 CB ILE A 66 6.298 0.685 -0.847 1.00 0.00 C ATOM 1018 CG1 ILE A 66 6.235 -0.451 0.213 1.00 0.00 C ATOM 1019 CG2 ILE A 66 5.302 0.331 -1.984 1.00 0.00 C ATOM 1020 CD1 ILE A 66 5.134 -0.227 1.257 1.00 0.00 C ATOM 0 H ILE A 66 8.664 2.145 0.071 1.00 0.00 H new ATOM 0 HA ILE A 66 8.008 0.096 -2.001 1.00 0.00 H new ATOM 0 HB ILE A 66 6.024 1.611 -0.341 1.00 0.00 H new ATOM 0 HG12 ILE A 66 6.064 -1.403 -0.290 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.198 -0.525 0.717 1.00 0.00 H new ATOM 0 HG21 ILE A 66 4.319 0.130 -1.557 1.00 0.00 H new ATOM 0 HG22 ILE A 66 5.232 1.167 -2.679 1.00 0.00 H new ATOM 0 HG23 ILE A 66 5.655 -0.553 -2.515 1.00 0.00 H new ATOM 0 HD11 ILE A 66 5.137 -1.051 1.971 1.00 0.00 H new ATOM 0 HD12 ILE A 66 5.317 0.710 1.783 1.00 0.00 H new ATOM 0 HD13 ILE A 66 4.165 -0.181 0.760 1.00 0.00 H new ATOM 1032 N ARG A 67 8.030 2.175 -3.610 1.00 0.00 N ATOM 1033 CA ARG A 67 7.918 3.320 -4.558 1.00 0.00 C ATOM 1034 C ARG A 67 6.449 3.448 -5.078 1.00 0.00 C ATOM 1035 O ARG A 67 5.920 2.535 -5.721 1.00 0.00 O ATOM 1036 CB ARG A 67 8.926 3.090 -5.707 1.00 0.00 C ATOM 1037 CG ARG A 67 9.394 4.330 -6.492 1.00 0.00 C ATOM 1038 CD ARG A 67 8.315 5.081 -7.276 1.00 0.00 C ATOM 1039 NE ARG A 67 8.978 6.043 -8.184 1.00 0.00 N ATOM 1040 CZ ARG A 67 8.380 7.028 -8.833 1.00 0.00 C ATOM 1041 NH1 ARG A 67 7.115 7.318 -8.745 1.00 0.00 N ATOM 1042 NH2 ARG A 67 9.112 7.751 -9.608 1.00 0.00 N ATOM 0 H ARG A 67 8.380 1.315 -4.033 1.00 0.00 H new ATOM 0 HA ARG A 67 8.157 4.261 -4.062 1.00 0.00 H new ATOM 0 HB2 ARG A 67 9.807 2.601 -5.291 1.00 0.00 H new ATOM 0 HB3 ARG A 67 8.479 2.392 -6.414 1.00 0.00 H new ATOM 0 HG2 ARG A 67 9.854 5.026 -5.791 1.00 0.00 H new ATOM 0 HG3 ARG A 67 10.171 4.020 -7.190 1.00 0.00 H new ATOM 0 HD2 ARG A 67 7.705 4.381 -7.846 1.00 0.00 H new ATOM 0 HD3 ARG A 67 7.646 5.604 -6.593 1.00 0.00 H new ATOM 0 HE ARG A 67 9.983 5.937 -8.321 1.00 0.00 H new ATOM 0 HH11 ARG A 67 6.506 6.767 -8.140 1.00 0.00 H new ATOM 0 HH12 ARG A 67 6.732 8.097 -9.281 1.00 0.00 H new ATOM 0 HH21 ARG A 67 10.108 7.552 -9.700 1.00 0.00 H new ATOM 0 HH22 ARG A 67 8.695 8.522 -10.129 1.00 0.00 H new ATOM 1055 N LEU A 68 5.811 4.588 -4.798 1.00 0.00 N ATOM 1056 CA LEU A 68 4.418 4.866 -5.242 1.00 0.00 C ATOM 1057 C LEU A 68 4.392 5.372 -6.723 1.00 0.00 C ATOM 1058 O LEU A 68 4.667 6.544 -6.992 1.00 0.00 O ATOM 1059 CB LEU A 68 3.830 5.878 -4.221 1.00 0.00 C ATOM 1060 CG LEU A 68 2.306 5.927 -3.999 1.00 0.00 C ATOM 1061 CD1 LEU A 68 1.484 6.166 -5.259 1.00 0.00 C ATOM 1062 CD2 LEU A 68 1.787 4.688 -3.263 1.00 0.00 C ATOM 0 H LEU A 68 6.231 5.347 -4.262 1.00 0.00 H new ATOM 0 HA LEU A 68 3.801 3.967 -5.253 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.295 5.677 -3.256 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.149 6.874 -4.527 1.00 0.00 H new ATOM 0 HG LEU A 68 2.164 6.805 -3.369 1.00 0.00 H new ATOM 0 HD11 LEU A 68 0.424 6.185 -5.004 1.00 0.00 H new ATOM 0 HD12 LEU A 68 1.767 7.120 -5.703 1.00 0.00 H new ATOM 0 HD13 LEU A 68 1.671 5.364 -5.973 1.00 0.00 H new ATOM 0 HD21 LEU A 68 0.708 4.769 -3.130 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.015 3.796 -3.847 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.268 4.616 -2.288 1.00 0.00 H new ATOM 1074 N LEU A 69 4.064 4.494 -7.681 1.00 0.00 N ATOM 1075 CA LEU A 69 3.994 4.867 -9.134 1.00 0.00 C ATOM 1076 C LEU A 69 2.717 5.672 -9.625 1.00 0.00 C ATOM 1077 O LEU A 69 2.732 6.216 -10.728 1.00 0.00 O ATOM 1078 CB LEU A 69 4.194 3.604 -10.013 1.00 0.00 C ATOM 1079 CG LEU A 69 5.549 2.871 -9.874 1.00 0.00 C ATOM 1080 CD1 LEU A 69 5.444 1.481 -10.520 1.00 0.00 C ATOM 1081 CD2 LEU A 69 6.690 3.639 -10.549 1.00 0.00 C ATOM 0 H LEU A 69 3.840 3.517 -7.494 1.00 0.00 H new ATOM 0 HA LEU A 69 4.806 5.584 -9.253 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.398 2.897 -9.779 1.00 0.00 H new ATOM 0 HB3 LEU A 69 4.068 3.892 -11.057 1.00 0.00 H new ATOM 0 HG LEU A 69 5.772 2.792 -8.810 1.00 0.00 H new ATOM 0 HD11 LEU A 69 6.398 0.962 -10.424 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.665 0.905 -10.020 1.00 0.00 H new ATOM 0 HD13 LEU A 69 5.194 1.588 -11.576 1.00 0.00 H new ATOM 0 HD21 LEU A 69 7.622 3.088 -10.426 1.00 0.00 H new ATOM 0 HD22 LEU A 69 6.473 3.754 -11.611 1.00 0.00 H new ATOM 0 HD23 LEU A 69 6.788 4.623 -10.090 1.00 0.00 H new