USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 612 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 34 SER OG : rot 86:sc= 1.99 USER MOD Set 1.2: A 39 TYR OH : rot -135:sc= 1.14 USER MOD Single : A 6 LYS NZ :NH3+ -167:sc= -0.0111 (180deg=-0.188) USER MOD Single : A 16 THR OG1 : rot 66:sc= 0.808 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 TYR OH : rot -96:sc= 0.321 USER MOD Single : A 31 THR OG1 : rot 71:sc= 0.96 USER MOD Single : A 33 GLN : amide:sc= -1.93! C(o=-1.9!,f=-3.8!) USER MOD Single : A 35 GLN :FLIP amide:sc= -0.855 F(o=-2.3!,f=-0.85) USER MOD Single : A 40 ASN : amide:sc= -0.226 K(o=-0.23,f=-1.2) USER MOD Single : A 42 LYS NZ :NH3+ -170:sc= -0.0333 (180deg=-0.228) USER MOD Single : A 45 SER OG : rot 41:sc= 0.0418 USER MOD Single : A 48 GLN :FLIP amide:sc= -1.23! C(o=-3.5!,f=-1.2!) USER MOD Single : A 53 THR OG1 : rot 85:sc= 1.18 USER MOD Single : A 58 TYR OH : rot 80:sc= -1.38 USER MOD Single : A 60 GLN :FLIP amide:sc= 0 F(o=-1.9,f=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0.00667 USER MOD Single : A 63 SER OG : rot 180:sc= 0.0166 USER MOD Single : A 66 THR OG1 : rot 82:sc= 1.23 USER MOD Single : A 68 GLN : amide:sc= -0.81 K(o=-0.81,f=-5.1!) USER MOD Single : A 71 SER OG : rot 65:sc= 1.27 USER MOD ----------------------------------------------------------------- ATOM 77 N LYS A 6 -6.643 -10.822 0.716 1.00 0.00 N ATOM 78 CA LYS A 6 -5.329 -10.252 0.663 1.00 0.00 C ATOM 79 C LYS A 6 -5.224 -9.379 -0.559 1.00 0.00 C ATOM 80 O LYS A 6 -5.747 -9.722 -1.631 1.00 0.00 O ATOM 81 CB LYS A 6 -4.258 -11.343 0.632 1.00 0.00 C ATOM 82 CG LYS A 6 -4.184 -12.167 1.915 1.00 0.00 C ATOM 83 CD LYS A 6 -3.131 -13.271 1.834 1.00 0.00 C ATOM 84 CE LYS A 6 -3.500 -14.354 0.825 1.00 0.00 C ATOM 85 NZ LYS A 6 -4.743 -15.061 1.196 1.00 0.00 N ATOM 0 HA LYS A 6 -5.164 -9.653 1.559 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -4.456 -12.010 -0.207 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -3.287 -10.882 0.450 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -3.955 -11.510 2.754 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -5.159 -12.611 2.116 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -2.171 -12.834 1.559 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -3.006 -13.723 2.818 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -3.620 -13.904 -0.161 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -2.684 -15.072 0.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -4.839 -15.920 0.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -4.707 -15.323 2.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -5.559 -14.439 1.030 1.00 0.00 H new ATOM 99 N LEU A 7 -4.575 -8.280 -0.408 1.00 0.00 N ATOM 100 CA LEU A 7 -4.434 -7.319 -1.451 1.00 0.00 C ATOM 101 C LEU A 7 -3.020 -7.347 -1.967 1.00 0.00 C ATOM 102 O LEU A 7 -2.072 -7.509 -1.190 1.00 0.00 O ATOM 103 CB LEU A 7 -4.777 -5.929 -0.926 1.00 0.00 C ATOM 104 CG LEU A 7 -6.165 -5.771 -0.303 1.00 0.00 C ATOM 105 CD1 LEU A 7 -6.402 -4.338 0.126 1.00 0.00 C ATOM 106 CD2 LEU A 7 -7.249 -6.237 -1.262 1.00 0.00 C ATOM 0 H LEU A 7 -4.115 -8.015 0.463 1.00 0.00 H new ATOM 0 HA LEU A 7 -5.117 -7.562 -2.265 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -4.032 -5.650 -0.181 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -4.687 -5.219 -1.748 1.00 0.00 H new ATOM 0 HG LEU A 7 -6.210 -6.402 0.585 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -7.395 -4.250 0.566 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -5.652 -4.050 0.862 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -6.330 -3.682 -0.741 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -8.226 -6.114 -0.794 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -7.206 -5.644 -2.175 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -7.093 -7.288 -1.505 1.00 0.00 H new ATOM 118 N VAL A 8 -2.877 -7.216 -3.251 1.00 0.00 N ATOM 119 CA VAL A 8 -1.588 -7.259 -3.877 1.00 0.00 C ATOM 120 C VAL A 8 -1.063 -5.847 -4.133 1.00 0.00 C ATOM 121 O VAL A 8 -1.688 -5.053 -4.841 1.00 0.00 O ATOM 122 CB VAL A 8 -1.636 -8.056 -5.198 1.00 0.00 C ATOM 123 CG1 VAL A 8 -0.279 -8.064 -5.864 1.00 0.00 C ATOM 124 CG2 VAL A 8 -2.104 -9.482 -4.944 1.00 0.00 C ATOM 0 H VAL A 8 -3.653 -7.076 -3.898 1.00 0.00 H new ATOM 0 HA VAL A 8 -0.906 -7.768 -3.195 1.00 0.00 H new ATOM 0 HB VAL A 8 -2.347 -7.568 -5.865 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -0.333 -8.631 -6.794 1.00 0.00 H new ATOM 0 HG12 VAL A 8 0.026 -7.040 -6.080 1.00 0.00 H new ATOM 0 HG13 VAL A 8 0.450 -8.527 -5.199 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -2.132 -10.029 -5.886 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -1.414 -9.975 -4.259 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -3.102 -9.465 -4.505 1.00 0.00 H new ATOM 134 N LEU A 9 0.065 -5.557 -3.545 1.00 0.00 N ATOM 135 CA LEU A 9 0.731 -4.289 -3.677 1.00 0.00 C ATOM 136 C LEU A 9 1.908 -4.478 -4.644 1.00 0.00 C ATOM 137 O LEU A 9 2.717 -5.389 -4.451 1.00 0.00 O ATOM 138 CB LEU A 9 1.267 -3.880 -2.294 1.00 0.00 C ATOM 139 CG LEU A 9 1.757 -2.446 -2.132 1.00 0.00 C ATOM 140 CD1 LEU A 9 0.584 -1.486 -2.146 1.00 0.00 C ATOM 141 CD2 LEU A 9 2.562 -2.296 -0.849 1.00 0.00 C ATOM 0 H LEU A 9 0.561 -6.215 -2.943 1.00 0.00 H new ATOM 0 HA LEU A 9 0.054 -3.522 -4.052 1.00 0.00 H new ATOM 0 HB2 LEU A 9 0.478 -4.052 -1.562 1.00 0.00 H new ATOM 0 HB3 LEU A 9 2.089 -4.549 -2.039 1.00 0.00 H new ATOM 0 HG LEU A 9 2.410 -2.205 -2.971 1.00 0.00 H new ATOM 0 HD11 LEU A 9 0.948 -0.465 -2.029 1.00 0.00 H new ATOM 0 HD12 LEU A 9 0.052 -1.576 -3.093 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -0.092 -1.726 -1.326 1.00 0.00 H new ATOM 0 HD21 LEU A 9 2.903 -1.265 -0.752 1.00 0.00 H new ATOM 0 HD22 LEU A 9 1.936 -2.553 0.005 1.00 0.00 H new ATOM 0 HD23 LEU A 9 3.424 -2.962 -0.881 1.00 0.00 H new ATOM 153 N ASP A 10 1.982 -3.672 -5.678 1.00 0.00 N ATOM 154 CA ASP A 10 3.079 -3.773 -6.660 1.00 0.00 C ATOM 155 C ASP A 10 4.274 -2.970 -6.160 1.00 0.00 C ATOM 156 O ASP A 10 4.205 -1.740 -6.058 1.00 0.00 O ATOM 157 CB ASP A 10 2.627 -3.232 -8.022 1.00 0.00 C ATOM 158 CG ASP A 10 3.612 -3.495 -9.161 1.00 0.00 C ATOM 159 OD1 ASP A 10 4.790 -3.075 -9.090 1.00 0.00 O ATOM 160 OD2 ASP A 10 3.188 -4.060 -10.183 1.00 0.00 O ATOM 0 H ASP A 10 1.305 -2.935 -5.876 1.00 0.00 H new ATOM 0 HA ASP A 10 3.359 -4.820 -6.776 1.00 0.00 H new ATOM 0 HB2 ASP A 10 1.666 -3.680 -8.277 1.00 0.00 H new ATOM 0 HB3 ASP A 10 2.465 -2.157 -7.938 1.00 0.00 H new ATOM 165 N LEU A 11 5.365 -3.648 -5.872 1.00 0.00 N ATOM 166 CA LEU A 11 6.528 -3.010 -5.271 1.00 0.00 C ATOM 167 C LEU A 11 7.316 -2.168 -6.263 1.00 0.00 C ATOM 168 O LEU A 11 7.937 -1.161 -5.875 1.00 0.00 O ATOM 169 CB LEU A 11 7.434 -4.039 -4.593 1.00 0.00 C ATOM 170 CG LEU A 11 6.807 -4.834 -3.439 1.00 0.00 C ATOM 171 CD1 LEU A 11 7.816 -5.805 -2.861 1.00 0.00 C ATOM 172 CD2 LEU A 11 6.284 -3.900 -2.354 1.00 0.00 C ATOM 0 H LEU A 11 5.475 -4.647 -6.044 1.00 0.00 H new ATOM 0 HA LEU A 11 6.147 -2.328 -4.511 1.00 0.00 H new ATOM 0 HB2 LEU A 11 7.777 -4.745 -5.349 1.00 0.00 H new ATOM 0 HB3 LEU A 11 8.316 -3.523 -4.215 1.00 0.00 H new ATOM 0 HG LEU A 11 5.963 -5.399 -3.834 1.00 0.00 H new ATOM 0 HD11 LEU A 11 7.358 -6.362 -2.044 1.00 0.00 H new ATOM 0 HD12 LEU A 11 8.139 -6.499 -3.637 1.00 0.00 H new ATOM 0 HD13 LEU A 11 8.678 -5.254 -2.486 1.00 0.00 H new ATOM 0 HD21 LEU A 11 5.845 -4.488 -1.548 1.00 0.00 H new ATOM 0 HD22 LEU A 11 7.107 -3.303 -1.961 1.00 0.00 H new ATOM 0 HD23 LEU A 11 5.526 -3.240 -2.776 1.00 0.00 H new ATOM 184 N GLU A 12 7.278 -2.532 -7.533 1.00 0.00 N ATOM 185 CA GLU A 12 8.010 -1.768 -8.522 1.00 0.00 C ATOM 186 C GLU A 12 7.256 -0.515 -8.887 1.00 0.00 C ATOM 187 O GLU A 12 7.856 0.553 -9.083 1.00 0.00 O ATOM 188 CB GLU A 12 8.338 -2.560 -9.771 1.00 0.00 C ATOM 189 CG GLU A 12 9.334 -3.680 -9.578 1.00 0.00 C ATOM 190 CD GLU A 12 9.857 -4.155 -10.902 1.00 0.00 C ATOM 191 OE1 GLU A 12 10.841 -3.569 -11.396 1.00 0.00 O ATOM 192 OE2 GLU A 12 9.269 -5.085 -11.502 1.00 0.00 O ATOM 0 H GLU A 12 6.761 -3.333 -7.896 1.00 0.00 H new ATOM 0 HA GLU A 12 8.961 -1.504 -8.059 1.00 0.00 H new ATOM 0 HB2 GLU A 12 7.414 -2.981 -10.168 1.00 0.00 H new ATOM 0 HB3 GLU A 12 8.727 -1.875 -10.525 1.00 0.00 H new ATOM 0 HG2 GLU A 12 10.161 -3.336 -8.957 1.00 0.00 H new ATOM 0 HG3 GLU A 12 8.861 -4.508 -9.049 1.00 0.00 H new ATOM 199 N ARG A 13 5.946 -0.627 -8.969 1.00 0.00 N ATOM 200 CA ARG A 13 5.118 0.517 -9.261 1.00 0.00 C ATOM 201 C ARG A 13 5.169 1.488 -8.090 1.00 0.00 C ATOM 202 O ARG A 13 5.145 2.700 -8.284 1.00 0.00 O ATOM 203 CB ARG A 13 3.679 0.103 -9.578 1.00 0.00 C ATOM 204 CG ARG A 13 2.774 1.255 -9.980 1.00 0.00 C ATOM 205 CD ARG A 13 3.293 1.982 -11.207 1.00 0.00 C ATOM 206 NE ARG A 13 2.427 3.097 -11.568 1.00 0.00 N ATOM 207 CZ ARG A 13 2.647 3.968 -12.552 1.00 0.00 C ATOM 208 NH1 ARG A 13 3.732 3.864 -13.326 1.00 0.00 N ATOM 209 NH2 ARG A 13 1.776 4.938 -12.763 1.00 0.00 N ATOM 0 H ARG A 13 5.435 -1.500 -8.837 1.00 0.00 H new ATOM 0 HA ARG A 13 5.505 1.013 -10.151 1.00 0.00 H new ATOM 0 HB2 ARG A 13 3.693 -0.631 -10.383 1.00 0.00 H new ATOM 0 HB3 ARG A 13 3.254 -0.390 -8.704 1.00 0.00 H new ATOM 0 HG2 ARG A 13 1.772 0.876 -10.180 1.00 0.00 H new ATOM 0 HG3 ARG A 13 2.690 1.957 -9.151 1.00 0.00 H new ATOM 0 HD2 ARG A 13 4.301 2.349 -11.015 1.00 0.00 H new ATOM 0 HD3 ARG A 13 3.361 1.286 -12.043 1.00 0.00 H new ATOM 0 HE ARG A 13 1.577 3.222 -11.019 1.00 0.00 H new ATOM 0 HH11 ARG A 13 4.402 3.112 -13.166 1.00 0.00 H new ATOM 0 HH12 ARG A 13 3.890 4.537 -14.076 1.00 0.00 H new ATOM 0 HH21 ARG A 13 0.946 5.014 -12.176 1.00 0.00 H new ATOM 0 HH22 ARG A 13 1.934 5.611 -13.513 1.00 0.00 H new ATOM 223 N LEU A 14 5.283 0.941 -6.886 1.00 0.00 N ATOM 224 CA LEU A 14 5.446 1.735 -5.676 1.00 0.00 C ATOM 225 C LEU A 14 6.709 2.587 -5.768 1.00 0.00 C ATOM 226 O LEU A 14 6.706 3.763 -5.429 1.00 0.00 O ATOM 227 CB LEU A 14 5.507 0.822 -4.446 1.00 0.00 C ATOM 228 CG LEU A 14 5.793 1.505 -3.109 1.00 0.00 C ATOM 229 CD1 LEU A 14 4.742 2.558 -2.807 1.00 0.00 C ATOM 230 CD2 LEU A 14 5.869 0.476 -1.993 1.00 0.00 C ATOM 0 H LEU A 14 5.265 -0.066 -6.722 1.00 0.00 H new ATOM 0 HA LEU A 14 4.587 2.398 -5.575 1.00 0.00 H new ATOM 0 HB2 LEU A 14 4.557 0.294 -4.364 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.276 0.069 -4.617 1.00 0.00 H new ATOM 0 HG LEU A 14 6.759 2.006 -3.177 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.965 3.031 -1.851 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.745 3.312 -3.594 1.00 0.00 H new ATOM 0 HD13 LEU A 14 3.760 2.088 -2.759 1.00 0.00 H new ATOM 0 HD21 LEU A 14 6.073 0.979 -1.048 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.920 -0.056 -1.923 1.00 0.00 H new ATOM 0 HD23 LEU A 14 6.668 -0.234 -2.206 1.00 0.00 H new ATOM 242 N ALA A 15 7.765 2.001 -6.295 1.00 0.00 N ATOM 243 CA ALA A 15 9.033 2.695 -6.449 1.00 0.00 C ATOM 244 C ALA A 15 8.974 3.733 -7.570 1.00 0.00 C ATOM 245 O ALA A 15 9.885 4.532 -7.733 1.00 0.00 O ATOM 246 CB ALA A 15 10.139 1.705 -6.712 1.00 0.00 C ATOM 0 H ALA A 15 7.772 1.037 -6.627 1.00 0.00 H new ATOM 0 HA ALA A 15 9.239 3.224 -5.518 1.00 0.00 H new ATOM 0 HB1 ALA A 15 11.084 2.237 -6.826 1.00 0.00 H new ATOM 0 HB2 ALA A 15 10.212 1.010 -5.875 1.00 0.00 H new ATOM 0 HB3 ALA A 15 9.922 1.151 -7.626 1.00 0.00 H new ATOM 252 N THR A 16 7.900 3.721 -8.329 1.00 0.00 N ATOM 253 CA THR A 16 7.728 4.657 -9.411 1.00 0.00 C ATOM 254 C THR A 16 6.942 5.900 -8.889 1.00 0.00 C ATOM 255 O THR A 16 6.814 6.933 -9.569 1.00 0.00 O ATOM 256 CB THR A 16 6.963 3.975 -10.583 1.00 0.00 C ATOM 257 OG1 THR A 16 7.548 2.676 -10.860 1.00 0.00 O ATOM 258 CG2 THR A 16 7.054 4.804 -11.847 1.00 0.00 C ATOM 0 H THR A 16 7.127 3.065 -8.212 1.00 0.00 H new ATOM 0 HA THR A 16 8.701 4.980 -9.781 1.00 0.00 H new ATOM 0 HB THR A 16 5.919 3.876 -10.285 1.00 0.00 H new ATOM 0 HG1 THR A 16 7.399 2.080 -10.096 1.00 0.00 H new ATOM 0 HG21 THR A 16 6.511 4.305 -12.650 1.00 0.00 H new ATOM 0 HG22 THR A 16 6.617 5.787 -11.670 1.00 0.00 H new ATOM 0 HG23 THR A 16 8.100 4.918 -12.133 1.00 0.00 H new ATOM 266 N VAL A 17 6.457 5.792 -7.666 1.00 0.00 N ATOM 267 CA VAL A 17 5.675 6.836 -7.035 1.00 0.00 C ATOM 268 C VAL A 17 6.622 7.838 -6.343 1.00 0.00 C ATOM 269 O VAL A 17 7.674 7.434 -5.826 1.00 0.00 O ATOM 270 CB VAL A 17 4.669 6.204 -6.004 1.00 0.00 C ATOM 271 CG1 VAL A 17 3.868 7.254 -5.240 1.00 0.00 C ATOM 272 CG2 VAL A 17 3.720 5.259 -6.716 1.00 0.00 C ATOM 0 H VAL A 17 6.597 4.970 -7.079 1.00 0.00 H new ATOM 0 HA VAL A 17 5.095 7.369 -7.789 1.00 0.00 H new ATOM 0 HB VAL A 17 5.267 5.658 -5.274 1.00 0.00 H new ATOM 0 HG11 VAL A 17 3.191 6.759 -4.544 1.00 0.00 H new ATOM 0 HG12 VAL A 17 4.550 7.900 -4.687 1.00 0.00 H new ATOM 0 HG13 VAL A 17 3.290 7.854 -5.943 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.027 4.826 -5.994 1.00 0.00 H new ATOM 0 HG22 VAL A 17 3.159 5.808 -7.473 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.290 4.462 -7.194 1.00 0.00 H new ATOM 282 N PRO A 18 6.313 9.160 -6.427 1.00 0.00 N ATOM 283 CA PRO A 18 7.072 10.226 -5.745 1.00 0.00 C ATOM 284 C PRO A 18 7.413 9.891 -4.266 1.00 0.00 C ATOM 285 O PRO A 18 6.571 9.349 -3.516 1.00 0.00 O ATOM 286 CB PRO A 18 6.115 11.412 -5.829 1.00 0.00 C ATOM 287 CG PRO A 18 5.409 11.214 -7.116 1.00 0.00 C ATOM 288 CD PRO A 18 5.220 9.729 -7.256 1.00 0.00 C ATOM 0 HA PRO A 18 8.046 10.396 -6.204 1.00 0.00 H new ATOM 0 HB2 PRO A 18 5.419 11.423 -4.990 1.00 0.00 H new ATOM 0 HB3 PRO A 18 6.652 12.360 -5.810 1.00 0.00 H new ATOM 0 HG2 PRO A 18 4.450 11.732 -7.120 1.00 0.00 H new ATOM 0 HG3 PRO A 18 5.991 11.614 -7.947 1.00 0.00 H new ATOM 0 HD2 PRO A 18 4.240 9.414 -6.899 1.00 0.00 H new ATOM 0 HD3 PRO A 18 5.298 9.411 -8.296 1.00 0.00 H new ATOM 296 N ALA A 19 8.623 10.274 -3.865 1.00 0.00 N ATOM 297 CA ALA A 19 9.227 9.950 -2.563 1.00 0.00 C ATOM 298 C ALA A 19 8.358 10.323 -1.370 1.00 0.00 C ATOM 299 O ALA A 19 8.263 9.566 -0.413 1.00 0.00 O ATOM 300 CB ALA A 19 10.580 10.627 -2.439 1.00 0.00 C ATOM 0 H ALA A 19 9.236 10.838 -4.454 1.00 0.00 H new ATOM 0 HA ALA A 19 9.334 8.866 -2.540 1.00 0.00 H new ATOM 0 HB1 ALA A 19 11.022 10.383 -1.473 1.00 0.00 H new ATOM 0 HB2 ALA A 19 11.236 10.278 -3.236 1.00 0.00 H new ATOM 0 HB3 ALA A 19 10.455 11.707 -2.519 1.00 0.00 H new ATOM 306 N GLU A 20 7.686 11.451 -1.460 1.00 0.00 N ATOM 307 CA GLU A 20 6.863 11.966 -0.361 1.00 0.00 C ATOM 308 C GLU A 20 5.604 11.127 -0.103 1.00 0.00 C ATOM 309 O GLU A 20 4.865 11.372 0.856 1.00 0.00 O ATOM 310 CB GLU A 20 6.481 13.411 -0.622 1.00 0.00 C ATOM 311 CG GLU A 20 7.663 14.361 -0.658 1.00 0.00 C ATOM 312 CD GLU A 20 7.246 15.781 -0.909 1.00 0.00 C ATOM 313 OE1 GLU A 20 6.770 16.441 0.034 1.00 0.00 O ATOM 314 OE2 GLU A 20 7.414 16.282 -2.049 1.00 0.00 O ATOM 0 H GLU A 20 7.688 12.043 -2.290 1.00 0.00 H new ATOM 0 HA GLU A 20 7.474 11.901 0.540 1.00 0.00 H new ATOM 0 HB2 GLU A 20 5.950 13.471 -1.572 1.00 0.00 H new ATOM 0 HB3 GLU A 20 5.787 13.739 0.152 1.00 0.00 H new ATOM 0 HG2 GLU A 20 8.200 14.305 0.289 1.00 0.00 H new ATOM 0 HG3 GLU A 20 8.356 14.045 -1.438 1.00 0.00 H new ATOM 321 N LYS A 21 5.349 10.171 -0.963 1.00 0.00 N ATOM 322 CA LYS A 21 4.216 9.287 -0.801 1.00 0.00 C ATOM 323 C LYS A 21 4.679 7.835 -0.766 1.00 0.00 C ATOM 324 O LYS A 21 4.167 7.025 0.001 1.00 0.00 O ATOM 325 CB LYS A 21 3.189 9.515 -1.919 1.00 0.00 C ATOM 326 CG LYS A 21 2.599 10.920 -1.915 1.00 0.00 C ATOM 327 CD LYS A 21 1.593 11.130 -3.029 1.00 0.00 C ATOM 328 CE LYS A 21 1.026 12.540 -2.977 1.00 0.00 C ATOM 329 NZ LYS A 21 0.073 12.807 -4.071 1.00 0.00 N ATOM 0 H LYS A 21 5.915 9.983 -1.790 1.00 0.00 H new ATOM 0 HA LYS A 21 3.730 9.511 0.149 1.00 0.00 H new ATOM 0 HB2 LYS A 21 3.664 9.330 -2.883 1.00 0.00 H new ATOM 0 HB3 LYS A 21 2.383 8.789 -1.816 1.00 0.00 H new ATOM 0 HG2 LYS A 21 2.117 11.106 -0.955 1.00 0.00 H new ATOM 0 HG3 LYS A 21 3.403 11.649 -2.014 1.00 0.00 H new ATOM 0 HD2 LYS A 21 2.070 10.959 -3.994 1.00 0.00 H new ATOM 0 HD3 LYS A 21 0.785 10.404 -2.939 1.00 0.00 H new ATOM 0 HE2 LYS A 21 0.527 12.692 -2.020 1.00 0.00 H new ATOM 0 HE3 LYS A 21 1.844 13.259 -3.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -0.284 13.780 -3.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 0.553 12.689 -4.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -0.723 12.140 -4.009 1.00 0.00 H new ATOM 343 N ALA A 22 5.672 7.523 -1.583 1.00 0.00 N ATOM 344 CA ALA A 22 6.200 6.174 -1.683 1.00 0.00 C ATOM 345 C ALA A 22 7.131 5.828 -0.537 1.00 0.00 C ATOM 346 O ALA A 22 7.059 4.733 -0.011 1.00 0.00 O ATOM 347 CB ALA A 22 6.927 5.991 -2.993 1.00 0.00 C ATOM 0 H ALA A 22 6.133 8.197 -2.194 1.00 0.00 H new ATOM 0 HA ALA A 22 5.346 5.498 -1.632 1.00 0.00 H new ATOM 0 HB1 ALA A 22 7.317 4.975 -3.054 1.00 0.00 H new ATOM 0 HB2 ALA A 22 6.238 6.165 -3.819 1.00 0.00 H new ATOM 0 HB3 ALA A 22 7.752 6.701 -3.054 1.00 0.00 H new ATOM 353 N GLY A 23 7.961 6.792 -0.137 1.00 0.00 N ATOM 354 CA GLY A 23 9.018 6.589 0.872 1.00 0.00 C ATOM 355 C GLY A 23 8.581 5.823 2.122 1.00 0.00 C ATOM 356 O GLY A 23 9.106 4.729 2.388 1.00 0.00 O ATOM 0 H GLY A 23 7.924 7.744 -0.502 1.00 0.00 H new ATOM 0 HA2 GLY A 23 9.845 6.053 0.407 1.00 0.00 H new ATOM 0 HA3 GLY A 23 9.400 7.563 1.177 1.00 0.00 H new ATOM 360 N PRO A 24 7.617 6.351 2.915 1.00 0.00 N ATOM 361 CA PRO A 24 7.126 5.670 4.123 1.00 0.00 C ATOM 362 C PRO A 24 6.552 4.273 3.821 1.00 0.00 C ATOM 363 O PRO A 24 6.703 3.343 4.614 1.00 0.00 O ATOM 364 CB PRO A 24 6.029 6.606 4.642 1.00 0.00 C ATOM 365 CG PRO A 24 6.370 7.940 4.078 1.00 0.00 C ATOM 366 CD PRO A 24 6.963 7.670 2.731 1.00 0.00 C ATOM 0 HA PRO A 24 7.926 5.493 4.842 1.00 0.00 H new ATOM 0 HB2 PRO A 24 5.042 6.279 4.315 1.00 0.00 H new ATOM 0 HB3 PRO A 24 6.012 6.630 5.732 1.00 0.00 H new ATOM 0 HG2 PRO A 24 5.484 8.569 3.997 1.00 0.00 H new ATOM 0 HG3 PRO A 24 7.077 8.467 4.719 1.00 0.00 H new ATOM 0 HD2 PRO A 24 6.200 7.638 1.953 1.00 0.00 H new ATOM 0 HD3 PRO A 24 7.679 8.440 2.443 1.00 0.00 H new ATOM 374 N LEU A 25 5.955 4.122 2.649 1.00 0.00 N ATOM 375 CA LEU A 25 5.350 2.859 2.259 1.00 0.00 C ATOM 376 C LEU A 25 6.404 1.849 1.800 1.00 0.00 C ATOM 377 O LEU A 25 6.261 0.653 2.034 1.00 0.00 O ATOM 378 CB LEU A 25 4.229 3.084 1.223 1.00 0.00 C ATOM 379 CG LEU A 25 3.522 1.837 0.641 1.00 0.00 C ATOM 380 CD1 LEU A 25 2.979 0.927 1.734 1.00 0.00 C ATOM 381 CD2 LEU A 25 2.383 2.268 -0.254 1.00 0.00 C ATOM 0 H LEU A 25 5.877 4.861 1.950 1.00 0.00 H new ATOM 0 HA LEU A 25 4.878 2.417 3.136 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.469 3.715 1.684 1.00 0.00 H new ATOM 0 HB3 LEU A 25 4.650 3.649 0.391 1.00 0.00 H new ATOM 0 HG LEU A 25 4.264 1.277 0.071 1.00 0.00 H new ATOM 0 HD11 LEU A 25 2.491 0.065 1.280 1.00 0.00 H new ATOM 0 HD12 LEU A 25 3.800 0.588 2.367 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.257 1.476 2.339 1.00 0.00 H new ATOM 0 HD21 LEU A 25 1.888 1.387 -0.662 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.667 2.852 0.324 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.772 2.876 -1.071 1.00 0.00 H new ATOM 393 N GLN A 26 7.470 2.333 1.185 1.00 0.00 N ATOM 394 CA GLN A 26 8.582 1.469 0.804 1.00 0.00 C ATOM 395 C GLN A 26 9.253 0.946 2.057 1.00 0.00 C ATOM 396 O GLN A 26 9.661 -0.210 2.123 1.00 0.00 O ATOM 397 CB GLN A 26 9.593 2.200 -0.075 1.00 0.00 C ATOM 398 CG GLN A 26 9.028 2.668 -1.406 1.00 0.00 C ATOM 399 CD GLN A 26 10.076 3.274 -2.304 1.00 0.00 C ATOM 400 OE1 GLN A 26 10.342 4.474 -2.262 1.00 0.00 O ATOM 401 NE2 GLN A 26 10.656 2.461 -3.137 1.00 0.00 N ATOM 0 H GLN A 26 7.592 3.315 0.938 1.00 0.00 H new ATOM 0 HA GLN A 26 8.189 0.638 0.218 1.00 0.00 H new ATOM 0 HB2 GLN A 26 9.976 3.063 0.470 1.00 0.00 H new ATOM 0 HB3 GLN A 26 10.440 1.540 -0.263 1.00 0.00 H new ATOM 0 HG2 GLN A 26 8.563 1.824 -1.915 1.00 0.00 H new ATOM 0 HG3 GLN A 26 8.243 3.402 -1.224 1.00 0.00 H new ATOM 0 HE21 GLN A 26 10.408 1.472 -3.141 1.00 0.00 H new ATOM 0 HE22 GLN A 26 11.359 2.813 -3.787 1.00 0.00 H new ATOM 410 N ARG A 27 9.334 1.811 3.061 1.00 0.00 N ATOM 411 CA ARG A 27 9.850 1.441 4.370 1.00 0.00 C ATOM 412 C ARG A 27 8.976 0.372 4.993 1.00 0.00 C ATOM 413 O ARG A 27 9.476 -0.644 5.464 1.00 0.00 O ATOM 414 CB ARG A 27 9.899 2.650 5.284 1.00 0.00 C ATOM 415 CG ARG A 27 11.032 3.610 5.003 1.00 0.00 C ATOM 416 CD ARG A 27 10.845 4.907 5.767 1.00 0.00 C ATOM 417 NE ARG A 27 10.550 4.700 7.199 1.00 0.00 N ATOM 418 CZ ARG A 27 10.296 5.692 8.073 1.00 0.00 C ATOM 419 NH1 ARG A 27 10.405 6.968 7.687 1.00 0.00 N ATOM 420 NH2 ARG A 27 9.926 5.407 9.317 1.00 0.00 N ATOM 0 H ARG A 27 9.044 2.786 2.989 1.00 0.00 H new ATOM 0 HA ARG A 27 10.860 1.052 4.242 1.00 0.00 H new ATOM 0 HB2 ARG A 27 8.955 3.189 5.201 1.00 0.00 H new ATOM 0 HB3 ARG A 27 9.980 2.306 6.315 1.00 0.00 H new ATOM 0 HG2 ARG A 27 11.980 3.152 5.284 1.00 0.00 H new ATOM 0 HG3 ARG A 27 11.082 3.817 3.934 1.00 0.00 H new ATOM 0 HD2 ARG A 27 11.748 5.511 5.672 1.00 0.00 H new ATOM 0 HD3 ARG A 27 10.033 5.475 5.313 1.00 0.00 H new ATOM 0 HE ARG A 27 10.538 3.742 7.549 1.00 0.00 H new ATOM 0 HH11 ARG A 27 10.681 7.190 6.730 1.00 0.00 H new ATOM 0 HH12 ARG A 27 10.212 7.719 8.349 1.00 0.00 H new ATOM 0 HH21 ARG A 27 9.834 4.435 9.612 1.00 0.00 H new ATOM 0 HH22 ARG A 27 9.734 6.160 9.977 1.00 0.00 H new ATOM 434 N TYR A 28 7.668 0.612 4.964 1.00 0.00 N ATOM 435 CA TYR A 28 6.669 -0.319 5.475 1.00 0.00 C ATOM 436 C TYR A 28 6.850 -1.675 4.798 1.00 0.00 C ATOM 437 O TYR A 28 6.959 -2.703 5.468 1.00 0.00 O ATOM 438 CB TYR A 28 5.267 0.241 5.180 1.00 0.00 C ATOM 439 CG TYR A 28 4.096 -0.533 5.768 1.00 0.00 C ATOM 440 CD1 TYR A 28 3.592 -1.674 5.149 1.00 0.00 C ATOM 441 CD2 TYR A 28 3.471 -0.094 6.923 1.00 0.00 C ATOM 442 CE1 TYR A 28 2.504 -2.347 5.673 1.00 0.00 C ATOM 443 CE2 TYR A 28 2.392 -0.764 7.453 1.00 0.00 C ATOM 444 CZ TYR A 28 1.914 -1.885 6.829 1.00 0.00 C ATOM 445 OH TYR A 28 0.822 -2.534 7.348 1.00 0.00 O ATOM 0 H TYR A 28 7.268 1.469 4.580 1.00 0.00 H new ATOM 0 HA TYR A 28 6.787 -0.444 6.551 1.00 0.00 H new ATOM 0 HB2 TYR A 28 5.222 1.265 5.552 1.00 0.00 H new ATOM 0 HB3 TYR A 28 5.138 0.288 4.099 1.00 0.00 H new ATOM 0 HD1 TYR A 28 4.058 -2.039 4.246 1.00 0.00 H new ATOM 0 HD2 TYR A 28 3.838 0.793 7.418 1.00 0.00 H new ATOM 0 HE1 TYR A 28 2.120 -3.228 5.180 1.00 0.00 H new ATOM 0 HE2 TYR A 28 1.924 -0.407 8.358 1.00 0.00 H new ATOM 0 HH TYR A 28 0.003 -2.091 7.043 1.00 0.00 H new ATOM 455 N ALA A 29 6.920 -1.652 3.469 1.00 0.00 N ATOM 456 CA ALA A 29 7.104 -2.847 2.667 1.00 0.00 C ATOM 457 C ALA A 29 8.386 -3.570 3.054 1.00 0.00 C ATOM 458 O ALA A 29 8.368 -4.770 3.284 1.00 0.00 O ATOM 459 CB ALA A 29 7.110 -2.502 1.185 1.00 0.00 C ATOM 0 H ALA A 29 6.850 -0.795 2.920 1.00 0.00 H new ATOM 0 HA ALA A 29 6.266 -3.517 2.861 1.00 0.00 H new ATOM 0 HB1 ALA A 29 7.249 -3.411 0.600 1.00 0.00 H new ATOM 0 HB2 ALA A 29 6.161 -2.039 0.915 1.00 0.00 H new ATOM 0 HB3 ALA A 29 7.924 -1.808 0.976 1.00 0.00 H new ATOM 465 N ALA A 30 9.481 -2.818 3.176 1.00 0.00 N ATOM 466 CA ALA A 30 10.784 -3.371 3.560 1.00 0.00 C ATOM 467 C ALA A 30 10.708 -4.050 4.924 1.00 0.00 C ATOM 468 O ALA A 30 11.320 -5.115 5.140 1.00 0.00 O ATOM 469 CB ALA A 30 11.851 -2.284 3.565 1.00 0.00 C ATOM 0 H ALA A 30 9.492 -1.811 3.012 1.00 0.00 H new ATOM 0 HA ALA A 30 11.061 -4.122 2.820 1.00 0.00 H new ATOM 0 HB1 ALA A 30 12.809 -2.716 3.853 1.00 0.00 H new ATOM 0 HB2 ALA A 30 11.933 -1.850 2.568 1.00 0.00 H new ATOM 0 HB3 ALA A 30 11.575 -1.507 4.278 1.00 0.00 H new ATOM 475 N THR A 31 9.949 -3.452 5.834 1.00 0.00 N ATOM 476 CA THR A 31 9.735 -4.025 7.138 1.00 0.00 C ATOM 477 C THR A 31 8.968 -5.356 6.994 1.00 0.00 C ATOM 478 O THR A 31 9.387 -6.385 7.535 1.00 0.00 O ATOM 479 CB THR A 31 8.939 -3.056 8.046 1.00 0.00 C ATOM 480 OG1 THR A 31 9.580 -1.766 8.048 1.00 0.00 O ATOM 481 CG2 THR A 31 8.874 -3.583 9.477 1.00 0.00 C ATOM 0 H THR A 31 9.472 -2.563 5.682 1.00 0.00 H new ATOM 0 HA THR A 31 10.705 -4.206 7.601 1.00 0.00 H new ATOM 0 HB THR A 31 7.925 -2.972 7.656 1.00 0.00 H new ATOM 0 HG1 THR A 31 9.446 -1.333 7.179 1.00 0.00 H new ATOM 0 HG21 THR A 31 8.310 -2.886 10.096 1.00 0.00 H new ATOM 0 HG22 THR A 31 8.381 -4.555 9.485 1.00 0.00 H new ATOM 0 HG23 THR A 31 9.884 -3.685 9.873 1.00 0.00 H new ATOM 489 N ILE A 32 7.883 -5.329 6.206 1.00 0.00 N ATOM 490 CA ILE A 32 7.042 -6.507 5.954 1.00 0.00 C ATOM 491 C ILE A 32 7.876 -7.665 5.379 1.00 0.00 C ATOM 492 O ILE A 32 7.848 -8.782 5.921 1.00 0.00 O ATOM 493 CB ILE A 32 5.867 -6.183 4.975 1.00 0.00 C ATOM 494 CG1 ILE A 32 4.943 -5.084 5.531 1.00 0.00 C ATOM 495 CG2 ILE A 32 5.060 -7.432 4.656 1.00 0.00 C ATOM 496 CD1 ILE A 32 4.221 -5.441 6.820 1.00 0.00 C ATOM 0 H ILE A 32 7.564 -4.488 5.725 1.00 0.00 H new ATOM 0 HA ILE A 32 6.621 -6.804 6.915 1.00 0.00 H new ATOM 0 HB ILE A 32 6.316 -5.810 4.054 1.00 0.00 H new ATOM 0 HG12 ILE A 32 5.535 -4.185 5.701 1.00 0.00 H new ATOM 0 HG13 ILE A 32 4.200 -4.837 4.773 1.00 0.00 H new ATOM 0 HG21 ILE A 32 4.250 -7.177 3.973 1.00 0.00 H new ATOM 0 HG22 ILE A 32 5.708 -8.174 4.189 1.00 0.00 H new ATOM 0 HG23 ILE A 32 4.644 -7.841 5.577 1.00 0.00 H new ATOM 0 HD11 ILE A 32 3.596 -4.604 7.131 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.596 -6.319 6.656 1.00 0.00 H new ATOM 0 HD13 ILE A 32 4.952 -5.656 7.599 1.00 0.00 H new ATOM 508 N GLN A 33 8.642 -7.367 4.320 1.00 0.00 N ATOM 509 CA GLN A 33 9.508 -8.346 3.638 1.00 0.00 C ATOM 510 C GLN A 33 10.409 -9.055 4.644 1.00 0.00 C ATOM 511 O GLN A 33 10.524 -10.285 4.658 1.00 0.00 O ATOM 512 CB GLN A 33 10.411 -7.636 2.619 1.00 0.00 C ATOM 513 CG GLN A 33 9.681 -6.861 1.539 1.00 0.00 C ATOM 514 CD GLN A 33 8.904 -7.715 0.562 1.00 0.00 C ATOM 515 OE1 GLN A 33 7.765 -8.038 0.788 1.00 0.00 O ATOM 516 NE2 GLN A 33 9.509 -8.028 -0.557 1.00 0.00 N ATOM 0 H GLN A 33 8.680 -6.435 3.908 1.00 0.00 H new ATOM 0 HA GLN A 33 8.863 -9.068 3.138 1.00 0.00 H new ATOM 0 HB2 GLN A 33 11.068 -6.951 3.155 1.00 0.00 H new ATOM 0 HB3 GLN A 33 11.048 -8.380 2.142 1.00 0.00 H new ATOM 0 HG2 GLN A 33 8.994 -6.161 2.015 1.00 0.00 H new ATOM 0 HG3 GLN A 33 10.407 -6.267 0.984 1.00 0.00 H new ATOM 0 HE21 GLN A 33 10.474 -7.737 -0.714 1.00 0.00 H new ATOM 0 HE22 GLN A 33 9.015 -8.562 -1.272 1.00 0.00 H new ATOM 525 N SER A 34 10.995 -8.267 5.516 1.00 0.00 N ATOM 526 CA SER A 34 11.939 -8.751 6.489 1.00 0.00 C ATOM 527 C SER A 34 11.274 -9.527 7.635 1.00 0.00 C ATOM 528 O SER A 34 11.717 -10.622 7.983 1.00 0.00 O ATOM 529 CB SER A 34 12.752 -7.576 7.017 1.00 0.00 C ATOM 530 OG SER A 34 13.362 -6.887 5.926 1.00 0.00 O ATOM 0 H SER A 34 10.826 -7.262 5.568 1.00 0.00 H new ATOM 0 HA SER A 34 12.597 -9.465 5.994 1.00 0.00 H new ATOM 0 HB2 SER A 34 12.108 -6.896 7.575 1.00 0.00 H new ATOM 0 HB3 SER A 34 13.516 -7.931 7.709 1.00 0.00 H new ATOM 0 HG SER A 34 12.733 -6.230 5.561 1.00 0.00 H new ATOM 536 N GLN A 35 10.198 -8.993 8.189 1.00 0.00 N ATOM 537 CA GLN A 35 9.575 -9.620 9.347 1.00 0.00 C ATOM 538 C GLN A 35 8.777 -10.872 8.989 1.00 0.00 C ATOM 539 O GLN A 35 8.666 -11.785 9.808 1.00 0.00 O ATOM 540 CB GLN A 35 8.732 -8.633 10.156 1.00 0.00 C ATOM 541 CG GLN A 35 7.526 -8.066 9.438 1.00 0.00 C ATOM 542 CD GLN A 35 6.787 -7.062 10.285 1.00 0.00 C ATOM 543 OE1 GLN A 35 6.166 -6.116 9.664 1.00 0.00 O flip ATOM 544 NE2 GLN A 35 6.780 -7.151 11.508 1.00 0.00 N flip ATOM 0 H GLN A 35 9.742 -8.141 7.864 1.00 0.00 H new ATOM 0 HA GLN A 35 10.397 -9.946 9.984 1.00 0.00 H new ATOM 0 HB2 GLN A 35 8.392 -9.131 11.064 1.00 0.00 H new ATOM 0 HB3 GLN A 35 9.370 -7.806 10.467 1.00 0.00 H new ATOM 0 HG2 GLN A 35 7.846 -7.592 8.510 1.00 0.00 H new ATOM 0 HG3 GLN A 35 6.851 -8.878 9.166 1.00 0.00 H new ATOM 0 HE21 GLN A 35 7.281 -7.912 11.967 1.00 0.00 H new ATOM 0 HE22 GLN A 35 6.273 -6.465 12.066 1.00 0.00 H new ATOM 553 N ARG A 36 8.218 -10.928 7.785 1.00 0.00 N ATOM 554 CA ARG A 36 7.493 -12.126 7.375 1.00 0.00 C ATOM 555 C ARG A 36 8.460 -13.162 6.854 1.00 0.00 C ATOM 556 O ARG A 36 8.204 -14.364 6.931 1.00 0.00 O ATOM 557 CB ARG A 36 6.421 -11.837 6.312 1.00 0.00 C ATOM 558 CG ARG A 36 5.317 -10.906 6.775 1.00 0.00 C ATOM 559 CD ARG A 36 4.214 -10.788 5.731 1.00 0.00 C ATOM 560 NE ARG A 36 3.174 -9.832 6.145 1.00 0.00 N ATOM 561 CZ ARG A 36 2.033 -9.583 5.483 1.00 0.00 C ATOM 562 NH1 ARG A 36 1.754 -10.250 4.373 1.00 0.00 N ATOM 563 NH2 ARG A 36 1.188 -8.656 5.946 1.00 0.00 N ATOM 0 H ARG A 36 8.250 -10.180 7.092 1.00 0.00 H new ATOM 0 HA ARG A 36 6.979 -12.504 8.259 1.00 0.00 H new ATOM 0 HB2 ARG A 36 6.903 -11.403 5.436 1.00 0.00 H new ATOM 0 HB3 ARG A 36 5.976 -12.780 5.996 1.00 0.00 H new ATOM 0 HG2 ARG A 36 4.896 -11.275 7.710 1.00 0.00 H new ATOM 0 HG3 ARG A 36 5.733 -9.920 6.980 1.00 0.00 H new ATOM 0 HD2 ARG A 36 4.644 -10.470 4.781 1.00 0.00 H new ATOM 0 HD3 ARG A 36 3.764 -11.767 5.565 1.00 0.00 H new ATOM 0 HE ARG A 36 3.334 -9.314 7.009 1.00 0.00 H new ATOM 0 HH11 ARG A 36 2.406 -10.952 4.022 1.00 0.00 H new ATOM 0 HH12 ARG A 36 0.887 -10.062 3.869 1.00 0.00 H new ATOM 0 HH21 ARG A 36 1.412 -8.142 6.798 1.00 0.00 H new ATOM 0 HH22 ARG A 36 0.320 -8.463 5.447 1.00 0.00 H new ATOM 577 N GLY A 37 9.587 -12.694 6.356 1.00 0.00 N ATOM 578 CA GLY A 37 10.579 -13.582 5.808 1.00 0.00 C ATOM 579 C GLY A 37 10.280 -13.896 4.372 1.00 0.00 C ATOM 580 O GLY A 37 10.659 -14.947 3.857 1.00 0.00 O ATOM 0 H GLY A 37 9.834 -11.705 6.322 1.00 0.00 H new ATOM 0 HA2 GLY A 37 11.565 -13.125 5.887 1.00 0.00 H new ATOM 0 HA3 GLY A 37 10.608 -14.504 6.388 1.00 0.00 H new ATOM 584 N ASP A 38 9.593 -12.987 3.726 1.00 0.00 N ATOM 585 CA ASP A 38 9.199 -13.151 2.359 1.00 0.00 C ATOM 586 C ASP A 38 9.619 -11.968 1.558 1.00 0.00 C ATOM 587 O ASP A 38 8.930 -10.958 1.527 1.00 0.00 O ATOM 588 CB ASP A 38 7.676 -13.357 2.202 1.00 0.00 C ATOM 589 CG ASP A 38 7.187 -14.720 2.618 1.00 0.00 C ATOM 590 OD1 ASP A 38 7.336 -15.685 1.822 1.00 0.00 O ATOM 591 OD2 ASP A 38 6.640 -14.869 3.726 1.00 0.00 O ATOM 0 H ASP A 38 9.291 -12.106 4.143 1.00 0.00 H new ATOM 0 HA ASP A 38 9.696 -14.050 1.994 1.00 0.00 H new ATOM 0 HB2 ASP A 38 7.157 -12.602 2.792 1.00 0.00 H new ATOM 0 HB3 ASP A 38 7.404 -13.189 1.160 1.00 0.00 H new ATOM 596 N TYR A 39 10.768 -12.053 0.959 1.00 0.00 N ATOM 597 CA TYR A 39 11.216 -11.019 0.077 1.00 0.00 C ATOM 598 C TYR A 39 10.696 -11.298 -1.308 1.00 0.00 C ATOM 599 O TYR A 39 11.411 -11.795 -2.173 1.00 0.00 O ATOM 600 CB TYR A 39 12.738 -10.875 0.072 1.00 0.00 C ATOM 601 CG TYR A 39 13.314 -10.374 1.373 1.00 0.00 C ATOM 602 CD1 TYR A 39 13.615 -11.243 2.409 1.00 0.00 C ATOM 603 CD2 TYR A 39 13.558 -9.026 1.556 1.00 0.00 C ATOM 604 CE1 TYR A 39 14.143 -10.778 3.591 1.00 0.00 C ATOM 605 CE2 TYR A 39 14.087 -8.549 2.736 1.00 0.00 C ATOM 606 CZ TYR A 39 14.378 -9.428 3.750 1.00 0.00 C ATOM 607 OH TYR A 39 14.910 -8.954 4.935 1.00 0.00 O ATOM 0 H TYR A 39 11.416 -12.833 1.066 1.00 0.00 H new ATOM 0 HA TYR A 39 10.822 -10.068 0.436 1.00 0.00 H new ATOM 0 HB2 TYR A 39 13.183 -11.842 -0.161 1.00 0.00 H new ATOM 0 HB3 TYR A 39 13.025 -10.191 -0.727 1.00 0.00 H new ATOM 0 HD1 TYR A 39 13.433 -12.300 2.287 1.00 0.00 H new ATOM 0 HD2 TYR A 39 13.330 -8.333 0.759 1.00 0.00 H new ATOM 0 HE1 TYR A 39 14.372 -11.467 4.391 1.00 0.00 H new ATOM 0 HE2 TYR A 39 14.271 -7.492 2.862 1.00 0.00 H new ATOM 0 HH TYR A 39 14.420 -8.153 5.216 1.00 0.00 H new ATOM 617 N ASN A 40 9.425 -11.064 -1.476 1.00 0.00 N ATOM 618 CA ASN A 40 8.754 -11.279 -2.721 1.00 0.00 C ATOM 619 C ASN A 40 9.041 -10.059 -3.566 1.00 0.00 C ATOM 620 O ASN A 40 8.625 -8.959 -3.239 1.00 0.00 O ATOM 621 CB ASN A 40 7.249 -11.479 -2.469 1.00 0.00 C ATOM 622 CG ASN A 40 6.503 -12.116 -3.637 1.00 0.00 C ATOM 623 OD1 ASN A 40 7.065 -12.887 -4.421 1.00 0.00 O ATOM 624 ND2 ASN A 40 5.240 -11.818 -3.754 1.00 0.00 N ATOM 0 H ASN A 40 8.818 -10.712 -0.736 1.00 0.00 H new ATOM 0 HA ASN A 40 9.100 -12.176 -3.236 1.00 0.00 H new ATOM 0 HB2 ASN A 40 7.119 -12.103 -1.585 1.00 0.00 H new ATOM 0 HB3 ASN A 40 6.797 -10.513 -2.246 1.00 0.00 H new ATOM 0 HD21 ASN A 40 4.688 -12.225 -4.509 1.00 0.00 H new ATOM 0 HD22 ASN A 40 4.804 -11.178 -3.091 1.00 0.00 H new ATOM 631 N GLY A 41 9.833 -10.274 -4.573 1.00 0.00 N ATOM 632 CA GLY A 41 10.398 -9.215 -5.403 1.00 0.00 C ATOM 633 C GLY A 41 9.416 -8.280 -6.093 1.00 0.00 C ATOM 634 O GLY A 41 9.535 -7.061 -5.969 1.00 0.00 O ATOM 0 H GLY A 41 10.121 -11.210 -4.860 1.00 0.00 H new ATOM 0 HA2 GLY A 41 11.059 -8.612 -4.780 1.00 0.00 H new ATOM 0 HA3 GLY A 41 11.019 -9.680 -6.169 1.00 0.00 H new ATOM 638 N LYS A 42 8.474 -8.819 -6.818 1.00 0.00 N ATOM 639 CA LYS A 42 7.599 -7.989 -7.618 1.00 0.00 C ATOM 640 C LYS A 42 6.445 -7.407 -6.816 1.00 0.00 C ATOM 641 O LYS A 42 6.192 -6.192 -6.857 1.00 0.00 O ATOM 642 CB LYS A 42 7.077 -8.765 -8.833 1.00 0.00 C ATOM 643 CG LYS A 42 6.122 -7.983 -9.716 1.00 0.00 C ATOM 644 CD LYS A 42 6.771 -6.758 -10.320 1.00 0.00 C ATOM 645 CE LYS A 42 5.759 -5.924 -11.072 1.00 0.00 C ATOM 646 NZ LYS A 42 5.085 -6.691 -12.135 1.00 0.00 N ATOM 0 H LYS A 42 8.289 -9.820 -6.875 1.00 0.00 H new ATOM 0 HA LYS A 42 8.197 -7.146 -7.966 1.00 0.00 H new ATOM 0 HB2 LYS A 42 7.927 -9.088 -9.435 1.00 0.00 H new ATOM 0 HB3 LYS A 42 6.573 -9.666 -8.484 1.00 0.00 H new ATOM 0 HG2 LYS A 42 5.757 -8.629 -10.514 1.00 0.00 H new ATOM 0 HG3 LYS A 42 5.254 -7.680 -9.130 1.00 0.00 H new ATOM 0 HD2 LYS A 42 7.228 -6.159 -9.533 1.00 0.00 H new ATOM 0 HD3 LYS A 42 7.571 -7.061 -10.995 1.00 0.00 H new ATOM 0 HE2 LYS A 42 5.014 -5.543 -10.374 1.00 0.00 H new ATOM 0 HE3 LYS A 42 6.257 -5.059 -11.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 4.529 -6.044 -12.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 5.797 -7.174 -12.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 4.453 -7.397 -11.706 1.00 0.00 H new ATOM 660 N VAL A 43 5.745 -8.244 -6.107 1.00 0.00 N ATOM 661 CA VAL A 43 4.574 -7.800 -5.389 1.00 0.00 C ATOM 662 C VAL A 43 4.637 -8.207 -3.940 1.00 0.00 C ATOM 663 O VAL A 43 5.443 -9.028 -3.556 1.00 0.00 O ATOM 664 CB VAL A 43 3.245 -8.344 -6.009 1.00 0.00 C ATOM 665 CG1 VAL A 43 3.040 -7.850 -7.434 1.00 0.00 C ATOM 666 CG2 VAL A 43 3.197 -9.866 -5.968 1.00 0.00 C ATOM 0 H VAL A 43 5.959 -9.236 -6.007 1.00 0.00 H new ATOM 0 HA VAL A 43 4.570 -6.713 -5.469 1.00 0.00 H new ATOM 0 HB VAL A 43 2.431 -7.955 -5.398 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.106 -8.251 -7.827 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.998 -6.761 -7.439 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.869 -8.184 -8.058 1.00 0.00 H new ATOM 0 HG21 VAL A 43 2.261 -10.212 -6.406 1.00 0.00 H new ATOM 0 HG22 VAL A 43 4.035 -10.272 -6.535 1.00 0.00 H new ATOM 0 HG23 VAL A 43 3.261 -10.204 -4.934 1.00 0.00 H new ATOM 676 N LEU A 44 3.788 -7.628 -3.164 1.00 0.00 N ATOM 677 CA LEU A 44 3.646 -7.948 -1.776 1.00 0.00 C ATOM 678 C LEU A 44 2.169 -8.089 -1.480 1.00 0.00 C ATOM 679 O LEU A 44 1.383 -7.224 -1.850 1.00 0.00 O ATOM 680 CB LEU A 44 4.263 -6.832 -0.920 1.00 0.00 C ATOM 681 CG LEU A 44 4.074 -6.942 0.595 1.00 0.00 C ATOM 682 CD1 LEU A 44 4.666 -8.236 1.130 1.00 0.00 C ATOM 683 CD2 LEU A 44 4.690 -5.737 1.289 1.00 0.00 C ATOM 0 H LEU A 44 3.152 -6.897 -3.482 1.00 0.00 H new ATOM 0 HA LEU A 44 4.162 -8.879 -1.541 1.00 0.00 H new ATOM 0 HB2 LEU A 44 5.332 -6.796 -1.128 1.00 0.00 H new ATOM 0 HB3 LEU A 44 3.843 -5.881 -1.247 1.00 0.00 H new ATOM 0 HG LEU A 44 3.005 -6.957 0.806 1.00 0.00 H new ATOM 0 HD11 LEU A 44 4.517 -8.286 2.209 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.173 -9.085 0.656 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.733 -8.266 0.910 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.549 -5.826 2.366 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.756 -5.693 1.065 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.207 -4.827 0.934 1.00 0.00 H new ATOM 695 N SER A 45 1.777 -9.170 -0.874 1.00 0.00 N ATOM 696 CA SER A 45 0.393 -9.352 -0.554 1.00 0.00 C ATOM 697 C SER A 45 0.155 -9.111 0.925 1.00 0.00 C ATOM 698 O SER A 45 0.726 -9.791 1.774 1.00 0.00 O ATOM 699 CB SER A 45 -0.104 -10.728 -1.013 1.00 0.00 C ATOM 700 OG SER A 45 0.727 -11.771 -0.529 1.00 0.00 O ATOM 0 H SER A 45 2.391 -9.934 -0.593 1.00 0.00 H new ATOM 0 HA SER A 45 -0.194 -8.613 -1.100 1.00 0.00 H new ATOM 0 HB2 SER A 45 -1.124 -10.883 -0.662 1.00 0.00 H new ATOM 0 HB3 SER A 45 -0.133 -10.761 -2.102 1.00 0.00 H new ATOM 0 HG SER A 45 0.977 -11.585 0.400 1.00 0.00 H new ATOM 706 N ILE A 46 -0.652 -8.134 1.214 1.00 0.00 N ATOM 707 CA ILE A 46 -0.966 -7.747 2.573 1.00 0.00 C ATOM 708 C ILE A 46 -2.460 -7.895 2.791 1.00 0.00 C ATOM 709 O ILE A 46 -3.197 -8.121 1.843 1.00 0.00 O ATOM 710 CB ILE A 46 -0.548 -6.276 2.852 1.00 0.00 C ATOM 711 CG1 ILE A 46 -1.232 -5.305 1.858 1.00 0.00 C ATOM 712 CG2 ILE A 46 0.971 -6.128 2.817 1.00 0.00 C ATOM 713 CD1 ILE A 46 -0.926 -3.838 2.102 1.00 0.00 C ATOM 0 H ILE A 46 -1.122 -7.569 0.507 1.00 0.00 H new ATOM 0 HA ILE A 46 -0.413 -8.392 3.256 1.00 0.00 H new ATOM 0 HB ILE A 46 -0.886 -6.012 3.854 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.923 -5.564 0.845 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -2.311 -5.452 1.910 1.00 0.00 H new ATOM 0 HG21 ILE A 46 1.240 -5.090 3.015 1.00 0.00 H new ATOM 0 HG22 ILE A 46 1.417 -6.770 3.577 1.00 0.00 H new ATOM 0 HG23 ILE A 46 1.342 -6.418 1.834 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -1.445 -3.230 1.361 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -1.261 -3.558 3.101 1.00 0.00 H new ATOM 0 HD13 ILE A 46 0.148 -3.672 2.020 1.00 0.00 H new ATOM 725 N ARG A 47 -2.914 -7.779 3.999 1.00 0.00 N ATOM 726 CA ARG A 47 -4.330 -7.879 4.256 1.00 0.00 C ATOM 727 C ARG A 47 -4.903 -6.488 4.472 1.00 0.00 C ATOM 728 O ARG A 47 -4.177 -5.486 4.465 1.00 0.00 O ATOM 729 CB ARG A 47 -4.673 -8.726 5.496 1.00 0.00 C ATOM 730 CG ARG A 47 -4.163 -10.169 5.547 1.00 0.00 C ATOM 731 CD ARG A 47 -2.703 -10.248 5.979 1.00 0.00 C ATOM 732 NE ARG A 47 -2.485 -9.613 7.292 1.00 0.00 N ATOM 733 CZ ARG A 47 -1.405 -9.768 8.061 1.00 0.00 C ATOM 734 NH1 ARG A 47 -0.513 -10.728 7.789 1.00 0.00 N ATOM 735 NH2 ARG A 47 -1.254 -8.997 9.132 1.00 0.00 N ATOM 0 H ARG A 47 -2.336 -7.616 4.823 1.00 0.00 H new ATOM 0 HA ARG A 47 -4.763 -8.371 3.385 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -4.288 -8.205 6.373 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -5.758 -8.752 5.592 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -4.777 -10.745 6.239 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -4.275 -10.627 4.564 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -2.393 -11.292 6.024 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -2.076 -9.762 5.232 1.00 0.00 H new ATOM 0 HE ARG A 47 -3.223 -9.003 7.643 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -0.657 -11.346 6.990 1.00 0.00 H new ATOM 0 HH12 ARG A 47 0.310 -10.842 8.380 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -1.959 -8.296 9.359 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -0.433 -9.106 9.727 1.00 0.00 H new ATOM 749 N GLN A 48 -6.196 -6.428 4.704 1.00 0.00 N ATOM 750 CA GLN A 48 -6.875 -5.172 4.986 1.00 0.00 C ATOM 751 C GLN A 48 -6.440 -4.626 6.354 1.00 0.00 C ATOM 752 O GLN A 48 -6.520 -3.430 6.602 1.00 0.00 O ATOM 753 CB GLN A 48 -8.424 -5.291 4.906 1.00 0.00 C ATOM 754 CG GLN A 48 -9.066 -6.214 5.946 1.00 0.00 C ATOM 755 CD GLN A 48 -8.739 -7.681 5.748 1.00 0.00 C ATOM 756 OE1 GLN A 48 -8.620 -8.114 4.511 1.00 0.00 O flip ATOM 757 NE2 GLN A 48 -8.624 -8.421 6.696 1.00 0.00 N flip ATOM 0 H GLN A 48 -6.809 -7.243 4.704 1.00 0.00 H new ATOM 0 HA GLN A 48 -6.579 -4.468 4.208 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -8.854 -4.295 5.014 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -8.693 -5.649 3.912 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -8.738 -5.909 6.940 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -10.148 -6.085 5.914 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -8.722 -8.055 7.643 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -8.429 -9.411 6.549 1.00 0.00 H new ATOM 766 N ASP A 49 -5.970 -5.513 7.241 1.00 0.00 N ATOM 767 CA ASP A 49 -5.480 -5.086 8.557 1.00 0.00 C ATOM 768 C ASP A 49 -4.150 -4.360 8.400 1.00 0.00 C ATOM 769 O ASP A 49 -3.805 -3.484 9.212 1.00 0.00 O ATOM 770 CB ASP A 49 -5.356 -6.256 9.564 1.00 0.00 C ATOM 771 CG ASP A 49 -4.292 -7.277 9.215 1.00 0.00 C ATOM 772 OD1 ASP A 49 -4.579 -8.189 8.430 1.00 0.00 O ATOM 773 OD2 ASP A 49 -3.168 -7.191 9.736 1.00 0.00 O ATOM 0 H ASP A 49 -5.919 -6.518 7.074 1.00 0.00 H new ATOM 0 HA ASP A 49 -6.221 -4.404 8.975 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -5.139 -5.847 10.551 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -6.319 -6.763 9.633 1.00 0.00 H new ATOM 778 N ASP A 50 -3.419 -4.700 7.345 1.00 0.00 N ATOM 779 CA ASP A 50 -2.181 -3.997 7.020 1.00 0.00 C ATOM 780 C ASP A 50 -2.556 -2.664 6.392 1.00 0.00 C ATOM 781 O ASP A 50 -2.011 -1.610 6.744 1.00 0.00 O ATOM 782 CB ASP A 50 -1.301 -4.777 6.020 1.00 0.00 C ATOM 783 CG ASP A 50 -0.793 -6.131 6.498 1.00 0.00 C ATOM 784 OD1 ASP A 50 0.032 -6.186 7.432 1.00 0.00 O ATOM 785 OD2 ASP A 50 -1.191 -7.162 5.914 1.00 0.00 O ATOM 0 H ASP A 50 -3.659 -5.454 6.702 1.00 0.00 H new ATOM 0 HA ASP A 50 -1.607 -3.876 7.938 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -1.872 -4.927 5.104 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -0.441 -4.158 5.762 1.00 0.00 H new ATOM 790 N LEU A 51 -3.532 -2.732 5.479 1.00 0.00 N ATOM 791 CA LEU A 51 -4.073 -1.570 4.751 1.00 0.00 C ATOM 792 C LEU A 51 -4.585 -0.491 5.719 1.00 0.00 C ATOM 793 O LEU A 51 -4.268 0.686 5.571 1.00 0.00 O ATOM 794 CB LEU A 51 -5.223 -2.022 3.836 1.00 0.00 C ATOM 795 CG LEU A 51 -5.863 -0.946 2.941 1.00 0.00 C ATOM 796 CD1 LEU A 51 -4.904 -0.493 1.853 1.00 0.00 C ATOM 797 CD2 LEU A 51 -7.162 -1.446 2.340 1.00 0.00 C ATOM 0 H LEU A 51 -3.979 -3.611 5.218 1.00 0.00 H new ATOM 0 HA LEU A 51 -3.268 -1.141 4.155 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -4.852 -2.821 3.194 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -6.005 -2.453 4.461 1.00 0.00 H new ATOM 0 HG LEU A 51 -6.088 -0.083 3.568 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -5.385 0.267 1.237 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -4.007 -0.076 2.310 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -4.631 -1.345 1.230 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -7.595 -0.668 1.712 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -6.966 -2.333 1.737 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -7.860 -1.697 3.139 1.00 0.00 H new ATOM 809 N ARG A 52 -5.362 -0.914 6.714 1.00 0.00 N ATOM 810 CA ARG A 52 -5.917 -0.006 7.721 1.00 0.00 C ATOM 811 C ARG A 52 -4.787 0.709 8.464 1.00 0.00 C ATOM 812 O ARG A 52 -4.865 1.896 8.745 1.00 0.00 O ATOM 813 CB ARG A 52 -6.806 -0.786 8.712 1.00 0.00 C ATOM 814 CG ARG A 52 -7.482 0.084 9.772 1.00 0.00 C ATOM 815 CD ARG A 52 -8.306 -0.746 10.758 1.00 0.00 C ATOM 816 NE ARG A 52 -9.419 -1.474 10.116 1.00 0.00 N ATOM 817 CZ ARG A 52 -10.121 -2.479 10.685 1.00 0.00 C ATOM 818 NH1 ARG A 52 -9.909 -2.821 11.956 1.00 0.00 N ATOM 819 NH2 ARG A 52 -11.071 -3.094 9.993 1.00 0.00 N ATOM 0 H ARG A 52 -5.625 -1.891 6.847 1.00 0.00 H new ATOM 0 HA ARG A 52 -6.532 0.742 7.220 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -7.575 -1.318 8.151 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -6.198 -1.540 9.212 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -6.723 0.646 10.317 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -8.129 0.813 9.284 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -7.652 -1.461 11.257 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -8.707 -0.089 11.530 1.00 0.00 H new ATOM 0 HE ARG A 52 -9.678 -1.197 9.169 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -9.211 -2.323 12.509 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -10.444 -3.581 12.376 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -11.270 -2.808 9.034 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -11.603 -3.853 10.420 1.00 0.00 H new ATOM 833 N THR A 53 -3.725 -0.022 8.721 1.00 0.00 N ATOM 834 CA THR A 53 -2.569 0.503 9.405 1.00 0.00 C ATOM 835 C THR A 53 -1.846 1.554 8.536 1.00 0.00 C ATOM 836 O THR A 53 -1.348 2.553 9.050 1.00 0.00 O ATOM 837 CB THR A 53 -1.631 -0.656 9.805 1.00 0.00 C ATOM 838 OG1 THR A 53 -2.381 -1.574 10.625 1.00 0.00 O ATOM 839 CG2 THR A 53 -0.424 -0.161 10.590 1.00 0.00 C ATOM 0 H THR A 53 -3.641 -1.004 8.458 1.00 0.00 H new ATOM 0 HA THR A 53 -2.890 1.010 10.315 1.00 0.00 H new ATOM 0 HB THR A 53 -1.263 -1.138 8.899 1.00 0.00 H new ATOM 0 HG1 THR A 53 -2.867 -2.202 10.052 1.00 0.00 H new ATOM 0 HG21 THR A 53 0.211 -1.007 10.853 1.00 0.00 H new ATOM 0 HG22 THR A 53 0.143 0.543 9.980 1.00 0.00 H new ATOM 0 HG23 THR A 53 -0.761 0.336 11.500 1.00 0.00 H new ATOM 847 N LEU A 54 -1.857 1.351 7.218 1.00 0.00 N ATOM 848 CA LEU A 54 -1.259 2.304 6.276 1.00 0.00 C ATOM 849 C LEU A 54 -1.925 3.664 6.422 1.00 0.00 C ATOM 850 O LEU A 54 -1.254 4.700 6.477 1.00 0.00 O ATOM 851 CB LEU A 54 -1.422 1.818 4.829 1.00 0.00 C ATOM 852 CG LEU A 54 -0.734 0.508 4.463 1.00 0.00 C ATOM 853 CD1 LEU A 54 -1.038 0.132 3.025 1.00 0.00 C ATOM 854 CD2 LEU A 54 0.747 0.635 4.648 1.00 0.00 C ATOM 0 H LEU A 54 -2.275 0.533 6.775 1.00 0.00 H new ATOM 0 HA LEU A 54 -0.196 2.385 6.505 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.487 1.711 4.624 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.046 2.596 4.165 1.00 0.00 H new ATOM 0 HG LEU A 54 -1.113 -0.275 5.120 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -0.539 -0.806 2.781 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -2.114 0.014 2.900 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -0.680 0.918 2.360 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.229 -0.306 4.384 1.00 0.00 H new ATOM 0 HD22 LEU A 54 1.127 1.430 4.006 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.964 0.874 5.689 1.00 0.00 H new ATOM 866 N ALA A 55 -3.238 3.638 6.546 1.00 0.00 N ATOM 867 CA ALA A 55 -4.042 4.842 6.696 1.00 0.00 C ATOM 868 C ALA A 55 -3.680 5.591 7.975 1.00 0.00 C ATOM 869 O ALA A 55 -3.688 6.820 8.008 1.00 0.00 O ATOM 870 CB ALA A 55 -5.520 4.480 6.690 1.00 0.00 C ATOM 0 H ALA A 55 -3.783 2.776 6.546 1.00 0.00 H new ATOM 0 HA ALA A 55 -3.833 5.503 5.855 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -6.117 5.385 6.803 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -5.772 3.994 5.747 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -5.732 3.801 7.516 1.00 0.00 H new ATOM 876 N VAL A 56 -3.299 4.844 8.990 1.00 0.00 N ATOM 877 CA VAL A 56 -2.959 5.394 10.282 1.00 0.00 C ATOM 878 C VAL A 56 -1.582 6.053 10.236 1.00 0.00 C ATOM 879 O VAL A 56 -1.387 7.163 10.748 1.00 0.00 O ATOM 880 CB VAL A 56 -2.973 4.275 11.369 1.00 0.00 C ATOM 881 CG1 VAL A 56 -2.520 4.797 12.721 1.00 0.00 C ATOM 882 CG2 VAL A 56 -4.359 3.662 11.484 1.00 0.00 C ATOM 0 H VAL A 56 -3.216 3.829 8.939 1.00 0.00 H new ATOM 0 HA VAL A 56 -3.703 6.148 10.540 1.00 0.00 H new ATOM 0 HB VAL A 56 -2.267 3.507 11.054 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -2.544 3.987 13.450 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -1.504 5.183 12.640 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -3.187 5.596 13.044 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -4.350 2.883 12.247 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -5.076 4.434 11.762 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -4.646 3.228 10.526 1.00 0.00 H new ATOM 892 N ILE A 57 -0.649 5.383 9.589 1.00 0.00 N ATOM 893 CA ILE A 57 0.730 5.847 9.526 1.00 0.00 C ATOM 894 C ILE A 57 0.874 7.069 8.621 1.00 0.00 C ATOM 895 O ILE A 57 1.554 8.029 8.970 1.00 0.00 O ATOM 896 CB ILE A 57 1.696 4.729 9.037 1.00 0.00 C ATOM 897 CG1 ILE A 57 1.497 3.467 9.881 1.00 0.00 C ATOM 898 CG2 ILE A 57 3.155 5.201 9.124 1.00 0.00 C ATOM 899 CD1 ILE A 57 2.391 2.308 9.500 1.00 0.00 C ATOM 0 H ILE A 57 -0.819 4.507 9.094 1.00 0.00 H new ATOM 0 HA ILE A 57 1.003 6.126 10.544 1.00 0.00 H new ATOM 0 HB ILE A 57 1.471 4.501 7.995 1.00 0.00 H new ATOM 0 HG12 ILE A 57 1.672 3.715 10.928 1.00 0.00 H new ATOM 0 HG13 ILE A 57 0.457 3.150 9.797 1.00 0.00 H new ATOM 0 HG21 ILE A 57 3.816 4.406 8.778 1.00 0.00 H new ATOM 0 HG22 ILE A 57 3.290 6.083 8.498 1.00 0.00 H new ATOM 0 HG23 ILE A 57 3.396 5.449 10.158 1.00 0.00 H new ATOM 0 HD11 ILE A 57 2.182 1.458 10.149 1.00 0.00 H new ATOM 0 HD12 ILE A 57 2.202 2.028 8.464 1.00 0.00 H new ATOM 0 HD13 ILE A 57 3.435 2.602 9.612 1.00 0.00 H new ATOM 911 N TYR A 58 0.215 7.052 7.478 1.00 0.00 N ATOM 912 CA TYR A 58 0.377 8.150 6.515 1.00 0.00 C ATOM 913 C TYR A 58 -0.647 9.219 6.781 1.00 0.00 C ATOM 914 O TYR A 58 -0.680 10.255 6.104 1.00 0.00 O ATOM 915 CB TYR A 58 0.268 7.635 5.069 1.00 0.00 C ATOM 916 CG TYR A 58 1.070 6.374 4.825 1.00 0.00 C ATOM 917 CD1 TYR A 58 2.303 6.174 5.442 1.00 0.00 C ATOM 918 CD2 TYR A 58 0.562 5.358 4.041 1.00 0.00 C ATOM 919 CE1 TYR A 58 2.994 5.006 5.275 1.00 0.00 C ATOM 920 CE2 TYR A 58 1.249 4.182 3.883 1.00 0.00 C ATOM 921 CZ TYR A 58 2.463 4.017 4.506 1.00 0.00 C ATOM 922 OH TYR A 58 3.137 2.845 4.372 1.00 0.00 O ATOM 0 H TYR A 58 -0.426 6.313 7.188 1.00 0.00 H new ATOM 0 HA TYR A 58 1.372 8.578 6.639 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -0.779 7.443 4.836 1.00 0.00 H new ATOM 0 HB3 TYR A 58 0.609 8.413 4.386 1.00 0.00 H new ATOM 0 HD1 TYR A 58 2.720 6.954 6.062 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -0.389 5.491 3.546 1.00 0.00 H new ATOM 0 HE1 TYR A 58 3.954 4.869 5.750 1.00 0.00 H new ATOM 0 HE2 TYR A 58 0.839 3.391 3.273 1.00 0.00 H new ATOM 0 HH TYR A 58 2.983 2.287 5.163 1.00 0.00 H new ATOM 932 N ASP A 59 -1.460 8.943 7.786 1.00 0.00 N ATOM 933 CA ASP A 59 -2.545 9.783 8.259 1.00 0.00 C ATOM 934 C ASP A 59 -3.429 10.282 7.141 1.00 0.00 C ATOM 935 O ASP A 59 -3.392 11.454 6.725 1.00 0.00 O ATOM 936 CB ASP A 59 -2.090 10.891 9.201 1.00 0.00 C ATOM 937 CG ASP A 59 -3.254 11.666 9.774 1.00 0.00 C ATOM 938 OD1 ASP A 59 -4.198 11.050 10.312 1.00 0.00 O ATOM 939 OD2 ASP A 59 -3.220 12.908 9.762 1.00 0.00 O ATOM 0 H ASP A 59 -1.376 8.080 8.323 1.00 0.00 H new ATOM 0 HA ASP A 59 -3.172 9.132 8.868 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -1.508 10.458 10.015 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -1.430 11.573 8.665 1.00 0.00 H new ATOM 944 N GLN A 60 -4.119 9.349 6.583 1.00 0.00 N ATOM 945 CA GLN A 60 -5.083 9.576 5.552 1.00 0.00 C ATOM 946 C GLN A 60 -6.246 8.696 5.870 1.00 0.00 C ATOM 947 O GLN A 60 -6.050 7.613 6.415 1.00 0.00 O ATOM 948 CB GLN A 60 -4.536 9.214 4.159 1.00 0.00 C ATOM 949 CG GLN A 60 -3.360 10.061 3.679 1.00 0.00 C ATOM 950 CD GLN A 60 -2.894 9.692 2.276 1.00 0.00 C ATOM 951 OE1 GLN A 60 -3.043 8.444 1.902 1.00 0.00 O flip ATOM 952 NE2 GLN A 60 -2.399 10.528 1.532 1.00 0.00 N flip ATOM 0 H GLN A 60 -4.027 8.366 6.840 1.00 0.00 H new ATOM 0 HA GLN A 60 -5.352 10.632 5.520 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -4.229 8.168 4.168 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -5.346 9.303 3.435 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -3.646 11.113 3.696 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -2.528 9.945 4.374 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -2.294 11.493 1.847 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -2.091 10.260 0.597 1.00 0.00 H new ATOM 961 N SER A 61 -7.422 9.147 5.602 1.00 0.00 N ATOM 962 CA SER A 61 -8.603 8.372 5.839 1.00 0.00 C ATOM 963 C SER A 61 -8.563 7.104 4.947 1.00 0.00 C ATOM 964 O SER A 61 -8.155 7.188 3.786 1.00 0.00 O ATOM 965 CB SER A 61 -9.787 9.248 5.502 1.00 0.00 C ATOM 966 OG SER A 61 -9.631 10.528 6.114 1.00 0.00 O ATOM 0 H SER A 61 -7.599 10.071 5.209 1.00 0.00 H new ATOM 0 HA SER A 61 -8.675 8.046 6.876 1.00 0.00 H new ATOM 0 HB2 SER A 61 -9.873 9.360 4.421 1.00 0.00 H new ATOM 0 HB3 SER A 61 -10.708 8.779 5.848 1.00 0.00 H new ATOM 0 HG SER A 61 -10.400 11.093 5.891 1.00 0.00 H new ATOM 972 N PRO A 62 -8.940 5.921 5.493 1.00 0.00 N ATOM 973 CA PRO A 62 -8.877 4.620 4.778 1.00 0.00 C ATOM 974 C PRO A 62 -9.420 4.654 3.340 1.00 0.00 C ATOM 975 O PRO A 62 -8.827 4.047 2.433 1.00 0.00 O ATOM 976 CB PRO A 62 -9.724 3.709 5.653 1.00 0.00 C ATOM 977 CG PRO A 62 -9.517 4.243 7.024 1.00 0.00 C ATOM 978 CD PRO A 62 -9.443 5.740 6.877 1.00 0.00 C ATOM 0 HA PRO A 62 -7.845 4.296 4.647 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -10.775 3.742 5.365 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -9.404 2.670 5.576 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -10.336 3.955 7.683 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -8.601 3.848 7.463 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -10.418 6.207 7.015 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -8.770 6.184 7.611 1.00 0.00 H new ATOM 986 N SER A 63 -10.512 5.372 3.129 1.00 0.00 N ATOM 987 CA SER A 63 -11.110 5.497 1.822 1.00 0.00 C ATOM 988 C SER A 63 -10.128 6.167 0.830 1.00 0.00 C ATOM 989 O SER A 63 -9.750 5.561 -0.183 1.00 0.00 O ATOM 990 CB SER A 63 -12.381 6.320 1.948 1.00 0.00 C ATOM 991 OG SER A 63 -13.147 5.879 3.064 1.00 0.00 O ATOM 0 H SER A 63 -11.004 5.882 3.863 1.00 0.00 H new ATOM 0 HA SER A 63 -11.347 4.506 1.434 1.00 0.00 H new ATOM 0 HB2 SER A 63 -12.130 7.374 2.065 1.00 0.00 H new ATOM 0 HB3 SER A 63 -12.971 6.232 1.036 1.00 0.00 H new ATOM 0 HG SER A 63 -13.962 6.418 3.135 1.00 0.00 H new ATOM 997 N VAL A 64 -9.657 7.379 1.161 1.00 0.00 N ATOM 998 CA VAL A 64 -8.722 8.089 0.292 1.00 0.00 C ATOM 999 C VAL A 64 -7.368 7.366 0.227 1.00 0.00 C ATOM 1000 O VAL A 64 -6.698 7.407 -0.791 1.00 0.00 O ATOM 1001 CB VAL A 64 -8.542 9.602 0.672 1.00 0.00 C ATOM 1002 CG1 VAL A 64 -7.923 9.794 2.045 1.00 0.00 C ATOM 1003 CG2 VAL A 64 -7.731 10.339 -0.381 1.00 0.00 C ATOM 0 H VAL A 64 -9.908 7.878 2.014 1.00 0.00 H new ATOM 0 HA VAL A 64 -9.167 8.080 -0.703 1.00 0.00 H new ATOM 0 HB VAL A 64 -9.544 10.029 0.709 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -7.823 10.859 2.253 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -8.562 9.335 2.800 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -6.939 9.326 2.069 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -7.623 11.384 -0.091 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -6.745 9.882 -0.467 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -8.243 10.280 -1.342 1.00 0.00 H new ATOM 1013 N LEU A 65 -7.003 6.677 1.308 1.00 0.00 N ATOM 1014 CA LEU A 65 -5.778 5.884 1.350 1.00 0.00 C ATOM 1015 C LEU A 65 -5.829 4.841 0.235 1.00 0.00 C ATOM 1016 O LEU A 65 -4.907 4.744 -0.580 1.00 0.00 O ATOM 1017 CB LEU A 65 -5.620 5.236 2.762 1.00 0.00 C ATOM 1018 CG LEU A 65 -4.328 4.419 3.091 1.00 0.00 C ATOM 1019 CD1 LEU A 65 -4.279 3.069 2.396 1.00 0.00 C ATOM 1020 CD2 LEU A 65 -3.075 5.218 2.787 1.00 0.00 C ATOM 0 H LEU A 65 -7.544 6.653 2.172 1.00 0.00 H new ATOM 0 HA LEU A 65 -4.903 6.513 1.185 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -5.698 6.035 3.499 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -6.473 4.575 2.916 1.00 0.00 H new ATOM 0 HG LEU A 65 -4.368 4.221 4.162 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -3.357 2.554 2.667 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -5.135 2.469 2.706 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -4.310 3.214 1.316 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.195 4.621 3.027 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -3.058 5.480 1.729 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -3.070 6.129 3.386 1.00 0.00 H new ATOM 1032 N THR A 66 -6.931 4.121 0.175 1.00 0.00 N ATOM 1033 CA THR A 66 -7.141 3.116 -0.837 1.00 0.00 C ATOM 1034 C THR A 66 -7.173 3.775 -2.238 1.00 0.00 C ATOM 1035 O THR A 66 -6.563 3.269 -3.187 1.00 0.00 O ATOM 1036 CB THR A 66 -8.459 2.355 -0.556 1.00 0.00 C ATOM 1037 OG1 THR A 66 -8.436 1.871 0.800 1.00 0.00 O ATOM 1038 CG2 THR A 66 -8.621 1.169 -1.497 1.00 0.00 C ATOM 0 H THR A 66 -7.706 4.220 0.831 1.00 0.00 H new ATOM 0 HA THR A 66 -6.318 2.401 -0.813 1.00 0.00 H new ATOM 0 HB THR A 66 -9.294 3.038 -0.712 1.00 0.00 H new ATOM 0 HG1 THR A 66 -8.697 2.593 1.409 1.00 0.00 H new ATOM 0 HG21 THR A 66 -9.556 0.654 -1.276 1.00 0.00 H new ATOM 0 HG22 THR A 66 -8.637 1.522 -2.528 1.00 0.00 H new ATOM 0 HG23 THR A 66 -7.787 0.481 -1.362 1.00 0.00 H new ATOM 1046 N GLU A 67 -7.823 4.943 -2.329 1.00 0.00 N ATOM 1047 CA GLU A 67 -7.918 5.692 -3.580 1.00 0.00 C ATOM 1048 C GLU A 67 -6.541 6.064 -4.104 1.00 0.00 C ATOM 1049 O GLU A 67 -6.277 5.911 -5.288 1.00 0.00 O ATOM 1050 CB GLU A 67 -8.765 6.951 -3.414 1.00 0.00 C ATOM 1051 CG GLU A 67 -10.242 6.693 -3.200 1.00 0.00 C ATOM 1052 CD GLU A 67 -10.897 6.065 -4.407 1.00 0.00 C ATOM 1053 OE1 GLU A 67 -10.995 6.736 -5.450 1.00 0.00 O ATOM 1054 OE2 GLU A 67 -11.373 4.914 -4.321 1.00 0.00 O ATOM 0 H GLU A 67 -8.293 5.389 -1.541 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.405 5.040 -4.305 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.383 7.521 -2.567 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -8.643 7.575 -4.300 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -10.373 6.039 -2.338 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -10.742 7.633 -2.966 1.00 0.00 H new ATOM 1061 N GLN A 68 -5.672 6.537 -3.213 1.00 0.00 N ATOM 1062 CA GLN A 68 -4.308 6.906 -3.555 1.00 0.00 C ATOM 1063 C GLN A 68 -3.585 5.735 -4.204 1.00 0.00 C ATOM 1064 O GLN A 68 -3.114 5.839 -5.333 1.00 0.00 O ATOM 1065 CB GLN A 68 -3.546 7.343 -2.302 1.00 0.00 C ATOM 1066 CG GLN A 68 -4.006 8.655 -1.657 1.00 0.00 C ATOM 1067 CD GLN A 68 -3.766 9.901 -2.508 1.00 0.00 C ATOM 1068 OE1 GLN A 68 -3.794 9.871 -3.743 1.00 0.00 O ATOM 1069 NE2 GLN A 68 -3.517 11.003 -1.852 1.00 0.00 N ATOM 0 H GLN A 68 -5.900 6.674 -2.228 1.00 0.00 H new ATOM 0 HA GLN A 68 -4.347 7.736 -4.261 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -3.624 6.549 -1.559 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -2.491 7.438 -2.558 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -5.071 8.582 -1.436 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -3.490 8.777 -0.705 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -3.501 10.997 -0.832 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -3.339 11.870 -2.360 1.00 0.00 H new ATOM 1078 N LEU A 69 -3.565 4.606 -3.506 1.00 0.00 N ATOM 1079 CA LEU A 69 -2.903 3.392 -3.983 1.00 0.00 C ATOM 1080 C LEU A 69 -3.428 2.940 -5.347 1.00 0.00 C ATOM 1081 O LEU A 69 -2.643 2.544 -6.232 1.00 0.00 O ATOM 1082 CB LEU A 69 -3.029 2.260 -2.952 1.00 0.00 C ATOM 1083 CG LEU A 69 -2.014 2.224 -1.790 1.00 0.00 C ATOM 1084 CD1 LEU A 69 -0.619 1.977 -2.317 1.00 0.00 C ATOM 1085 CD2 LEU A 69 -2.038 3.495 -0.950 1.00 0.00 C ATOM 0 H LEU A 69 -4.007 4.503 -2.592 1.00 0.00 H new ATOM 0 HA LEU A 69 -1.848 3.635 -4.110 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -4.029 2.310 -2.521 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.959 1.312 -3.486 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.309 1.402 -1.138 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.085 1.954 -1.485 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.592 1.022 -2.842 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.343 2.776 -3.005 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.305 3.415 -0.148 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.795 4.351 -1.579 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.031 3.629 -0.522 1.00 0.00 H new ATOM 1097 N ILE A 70 -4.734 3.019 -5.522 1.00 0.00 N ATOM 1098 CA ILE A 70 -5.367 2.665 -6.781 1.00 0.00 C ATOM 1099 C ILE A 70 -4.991 3.672 -7.880 1.00 0.00 C ATOM 1100 O ILE A 70 -4.669 3.282 -8.994 1.00 0.00 O ATOM 1101 CB ILE A 70 -6.916 2.566 -6.624 1.00 0.00 C ATOM 1102 CG1 ILE A 70 -7.264 1.440 -5.634 1.00 0.00 C ATOM 1103 CG2 ILE A 70 -7.600 2.327 -7.977 1.00 0.00 C ATOM 1104 CD1 ILE A 70 -8.737 1.334 -5.297 1.00 0.00 C ATOM 0 H ILE A 70 -5.384 3.329 -4.800 1.00 0.00 H new ATOM 0 HA ILE A 70 -4.999 1.683 -7.078 1.00 0.00 H new ATOM 0 HB ILE A 70 -7.286 3.514 -6.234 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -6.930 0.490 -6.052 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -6.704 1.597 -4.712 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -8.679 2.263 -7.833 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -7.372 3.153 -8.651 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -7.236 1.395 -8.409 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -8.891 0.515 -4.594 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -9.075 2.267 -4.847 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -9.306 1.143 -6.207 1.00 0.00 H new ATOM 1116 N SER A 71 -4.954 4.949 -7.528 1.00 0.00 N ATOM 1117 CA SER A 71 -4.636 6.011 -8.481 1.00 0.00 C ATOM 1118 C SER A 71 -3.192 5.909 -8.974 1.00 0.00 C ATOM 1119 O SER A 71 -2.893 6.255 -10.119 1.00 0.00 O ATOM 1120 CB SER A 71 -4.887 7.384 -7.855 1.00 0.00 C ATOM 1121 OG SER A 71 -6.236 7.496 -7.415 1.00 0.00 O ATOM 0 H SER A 71 -5.142 5.280 -6.582 1.00 0.00 H new ATOM 0 HA SER A 71 -5.292 5.889 -9.343 1.00 0.00 H new ATOM 0 HB2 SER A 71 -4.211 7.535 -7.013 1.00 0.00 H new ATOM 0 HB3 SER A 71 -4.670 8.166 -8.582 1.00 0.00 H new ATOM 0 HG SER A 71 -6.398 6.857 -6.690 1.00 0.00 H new ATOM 1127 N TRP A 72 -2.303 5.422 -8.121 1.00 0.00 N ATOM 1128 CA TRP A 72 -0.905 5.273 -8.505 1.00 0.00 C ATOM 1129 C TRP A 72 -0.723 4.010 -9.349 1.00 0.00 C ATOM 1130 O TRP A 72 0.290 3.844 -10.036 1.00 0.00 O ATOM 1131 CB TRP A 72 0.005 5.171 -7.275 1.00 0.00 C ATOM 1132 CG TRP A 72 -0.109 6.280 -6.275 1.00 0.00 C ATOM 1133 CD1 TRP A 72 -0.464 7.575 -6.500 1.00 0.00 C ATOM 1134 CD2 TRP A 72 0.170 6.179 -4.876 1.00 0.00 C ATOM 1135 NE1 TRP A 72 -0.451 8.275 -5.321 1.00 0.00 N ATOM 1136 CE2 TRP A 72 -0.062 7.440 -4.311 1.00 0.00 C ATOM 1137 CE3 TRP A 72 0.584 5.135 -4.047 1.00 0.00 C ATOM 1138 CZ2 TRP A 72 0.107 7.688 -2.951 1.00 0.00 C ATOM 1139 CZ3 TRP A 72 0.754 5.383 -2.701 1.00 0.00 C ATOM 1140 CH2 TRP A 72 0.515 6.649 -2.164 1.00 0.00 C ATOM 0 H TRP A 72 -2.520 5.126 -7.169 1.00 0.00 H new ATOM 0 HA TRP A 72 -0.629 6.157 -9.080 1.00 0.00 H new ATOM 0 HB2 TRP A 72 -0.208 4.230 -6.768 1.00 0.00 H new ATOM 0 HB3 TRP A 72 1.039 5.123 -7.617 1.00 0.00 H new ATOM 0 HD1 TRP A 72 -0.718 7.990 -7.464 1.00 0.00 H new ATOM 0 HE1 TRP A 72 -0.693 9.260 -5.215 1.00 0.00 H new ATOM 0 HE3 TRP A 72 0.768 4.151 -4.452 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 -0.078 8.667 -2.534 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 1.078 4.584 -2.051 1.00 0.00 H new ATOM 0 HH2 TRP A 72 0.655 6.810 -1.105 1.00 0.00 H new ATOM 1151 N GLY A 73 -1.710 3.129 -9.296 1.00 0.00 N ATOM 1152 CA GLY A 73 -1.637 1.875 -10.012 1.00 0.00 C ATOM 1153 C GLY A 73 -0.801 0.863 -9.265 1.00 0.00 C ATOM 1154 O GLY A 73 -0.255 -0.077 -9.847 1.00 0.00 O ATOM 0 H GLY A 73 -2.569 3.264 -8.763 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -2.642 1.480 -10.161 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -1.210 2.043 -11.001 1.00 0.00 H new ATOM 1158 N VAL A 74 -0.691 1.060 -7.971 1.00 0.00 N ATOM 1159 CA VAL A 74 0.106 0.188 -7.129 1.00 0.00 C ATOM 1160 C VAL A 74 -0.790 -0.906 -6.546 1.00 0.00 C ATOM 1161 O VAL A 74 -0.332 -2.008 -6.216 1.00 0.00 O ATOM 1162 CB VAL A 74 0.794 0.998 -5.978 1.00 0.00 C ATOM 1163 CG1 VAL A 74 1.668 0.110 -5.115 1.00 0.00 C ATOM 1164 CG2 VAL A 74 1.633 2.122 -6.543 1.00 0.00 C ATOM 0 H VAL A 74 -1.147 1.824 -7.472 1.00 0.00 H new ATOM 0 HA VAL A 74 0.891 -0.267 -7.733 1.00 0.00 H new ATOM 0 HB VAL A 74 -0.002 1.411 -5.358 1.00 0.00 H new ATOM 0 HG11 VAL A 74 2.128 0.707 -4.328 1.00 0.00 H new ATOM 0 HG12 VAL A 74 1.059 -0.675 -4.666 1.00 0.00 H new ATOM 0 HG13 VAL A 74 2.446 -0.342 -5.730 1.00 0.00 H new ATOM 0 HG21 VAL A 74 2.102 2.672 -5.727 1.00 0.00 H new ATOM 0 HG22 VAL A 74 2.405 1.709 -7.193 1.00 0.00 H new ATOM 0 HG23 VAL A 74 0.998 2.797 -7.117 1.00 0.00 H new ATOM 1174 N LEU A 75 -2.063 -0.612 -6.470 1.00 0.00 N ATOM 1175 CA LEU A 75 -3.033 -1.509 -5.903 1.00 0.00 C ATOM 1176 C LEU A 75 -4.138 -1.755 -6.924 1.00 0.00 C ATOM 1177 O LEU A 75 -4.340 -0.932 -7.834 1.00 0.00 O ATOM 1178 CB LEU A 75 -3.609 -0.877 -4.627 1.00 0.00 C ATOM 1179 CG LEU A 75 -4.614 -1.702 -3.821 1.00 0.00 C ATOM 1180 CD1 LEU A 75 -3.963 -2.954 -3.260 1.00 0.00 C ATOM 1181 CD2 LEU A 75 -5.219 -0.864 -2.704 1.00 0.00 C ATOM 0 H LEU A 75 -2.458 0.267 -6.804 1.00 0.00 H new ATOM 0 HA LEU A 75 -2.569 -2.462 -5.648 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -2.776 -0.627 -3.970 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -4.090 0.061 -4.904 1.00 0.00 H new ATOM 0 HG LEU A 75 -5.415 -2.011 -4.492 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -4.699 -3.523 -2.691 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -3.585 -3.566 -4.079 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -3.137 -2.673 -2.606 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -5.931 -1.467 -2.141 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -4.428 -0.521 -2.037 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -5.732 -0.003 -3.132 1.00 0.00 H new ATOM 1193 N ASP A 76 -4.818 -2.885 -6.798 1.00 0.00 N ATOM 1194 CA ASP A 76 -5.942 -3.225 -7.669 1.00 0.00 C ATOM 1195 C ASP A 76 -7.102 -2.300 -7.362 1.00 0.00 C ATOM 1196 O ASP A 76 -7.254 -1.855 -6.227 1.00 0.00 O ATOM 1197 CB ASP A 76 -6.426 -4.672 -7.432 1.00 0.00 C ATOM 1198 CG ASP A 76 -5.378 -5.732 -7.652 1.00 0.00 C ATOM 1199 OD1 ASP A 76 -5.224 -6.230 -8.802 1.00 0.00 O ATOM 1200 OD2 ASP A 76 -4.705 -6.117 -6.691 1.00 0.00 O ATOM 0 H ASP A 76 -4.610 -3.592 -6.093 1.00 0.00 H new ATOM 0 HA ASP A 76 -5.606 -3.123 -8.701 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -6.797 -4.754 -6.410 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -7.269 -4.871 -8.094 1.00 0.00 H new ATOM 1205 N ALA A 77 -7.920 -2.021 -8.346 1.00 0.00 N ATOM 1206 CA ALA A 77 -9.091 -1.187 -8.149 1.00 0.00 C ATOM 1207 C ALA A 77 -10.126 -1.957 -7.344 1.00 0.00 C ATOM 1208 O ALA A 77 -10.684 -1.450 -6.382 1.00 0.00 O ATOM 1209 CB ALA A 77 -9.668 -0.743 -9.488 1.00 0.00 C ATOM 0 H ALA A 77 -7.799 -2.360 -9.301 1.00 0.00 H new ATOM 0 HA ALA A 77 -8.805 -0.291 -7.599 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -10.545 -0.119 -9.317 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -8.918 -0.173 -10.036 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -9.954 -1.619 -10.070 1.00 0.00 H new ATOM 1215 N ASP A 78 -10.313 -3.214 -7.730 1.00 0.00 N ATOM 1216 CA ASP A 78 -11.235 -4.173 -7.089 1.00 0.00 C ATOM 1217 C ASP A 78 -10.908 -4.407 -5.621 1.00 0.00 C ATOM 1218 O ASP A 78 -11.761 -4.863 -4.860 1.00 0.00 O ATOM 1219 CB ASP A 78 -11.301 -5.522 -7.841 1.00 0.00 C ATOM 1220 CG ASP A 78 -10.007 -6.327 -7.840 1.00 0.00 C ATOM 1221 OD1 ASP A 78 -9.742 -7.083 -6.874 1.00 0.00 O ATOM 1222 OD2 ASP A 78 -9.258 -6.259 -8.837 1.00 0.00 O ATOM 0 H ASP A 78 -9.815 -3.617 -8.524 1.00 0.00 H new ATOM 0 HA ASP A 78 -12.219 -3.707 -7.143 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -12.089 -6.130 -7.396 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -11.591 -5.330 -8.874 1.00 0.00 H new ATOM 1227 N ALA A 79 -9.669 -4.079 -5.227 1.00 0.00 N ATOM 1228 CA ALA A 79 -9.189 -4.197 -3.835 1.00 0.00 C ATOM 1229 C ALA A 79 -10.111 -3.470 -2.862 1.00 0.00 C ATOM 1230 O ALA A 79 -10.178 -3.804 -1.683 1.00 0.00 O ATOM 1231 CB ALA A 79 -7.781 -3.654 -3.718 1.00 0.00 C ATOM 0 H ALA A 79 -8.962 -3.720 -5.869 1.00 0.00 H new ATOM 0 HA ALA A 79 -9.190 -5.255 -3.573 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -7.440 -3.747 -2.687 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -7.117 -4.219 -4.372 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -7.771 -2.604 -4.010 1.00 0.00 H new ATOM 1237 N ARG A 80 -10.822 -2.478 -3.378 1.00 0.00 N ATOM 1238 CA ARG A 80 -11.813 -1.710 -2.625 1.00 0.00 C ATOM 1239 C ARG A 80 -12.899 -2.618 -2.016 1.00 0.00 C ATOM 1240 O ARG A 80 -13.562 -2.232 -1.079 1.00 0.00 O ATOM 1241 CB ARG A 80 -12.473 -0.689 -3.544 1.00 0.00 C ATOM 1242 CG ARG A 80 -13.190 -1.319 -4.738 1.00 0.00 C ATOM 1243 CD ARG A 80 -13.768 -0.272 -5.650 1.00 0.00 C ATOM 1244 NE ARG A 80 -14.856 0.470 -4.988 1.00 0.00 N ATOM 1245 CZ ARG A 80 -15.093 1.783 -5.095 1.00 0.00 C ATOM 1246 NH1 ARG A 80 -14.264 2.568 -5.776 1.00 0.00 N ATOM 1247 NH2 ARG A 80 -16.155 2.309 -4.490 1.00 0.00 N ATOM 0 H ARG A 80 -10.728 -2.176 -4.348 1.00 0.00 H new ATOM 0 HA ARG A 80 -11.293 -1.208 -1.809 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -13.189 -0.103 -2.968 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -11.715 0.003 -3.909 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -12.491 -1.943 -5.295 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -13.986 -1.972 -4.382 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -12.984 0.422 -5.955 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -14.146 -0.744 -6.557 1.00 0.00 H new ATOM 0 HE ARG A 80 -15.487 -0.067 -4.393 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -13.438 2.171 -6.223 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -14.454 3.567 -5.851 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -16.782 1.713 -3.950 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -16.343 3.309 -4.567 1.00 0.00 H new ATOM 1261 N ARG A 81 -13.070 -3.820 -2.558 1.00 0.00 N ATOM 1262 CA ARG A 81 -14.071 -4.734 -2.050 1.00 0.00 C ATOM 1263 C ARG A 81 -13.640 -5.332 -0.695 1.00 0.00 C ATOM 1264 O ARG A 81 -14.486 -5.773 0.101 1.00 0.00 O ATOM 1265 CB ARG A 81 -14.410 -5.840 -3.078 1.00 0.00 C ATOM 1266 CG ARG A 81 -15.462 -6.828 -2.589 1.00 0.00 C ATOM 1267 CD ARG A 81 -16.774 -6.125 -2.261 1.00 0.00 C ATOM 1268 NE ARG A 81 -17.620 -6.930 -1.385 1.00 0.00 N ATOM 1269 CZ ARG A 81 -18.699 -6.479 -0.739 1.00 0.00 C ATOM 1270 NH1 ARG A 81 -19.190 -5.272 -1.012 1.00 0.00 N ATOM 1271 NH2 ARG A 81 -19.297 -7.243 0.151 1.00 0.00 N ATOM 0 H ARG A 81 -12.528 -4.177 -3.345 1.00 0.00 H new ATOM 0 HA ARG A 81 -14.984 -4.162 -1.884 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -14.762 -5.373 -3.998 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -13.499 -6.385 -3.326 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -15.635 -7.586 -3.353 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -15.093 -7.346 -1.704 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -16.563 -5.168 -1.783 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -17.310 -5.909 -3.185 1.00 0.00 H new ATOM 0 HE ARG A 81 -17.369 -7.910 -1.257 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -18.742 -4.687 -1.717 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -20.014 -4.932 -0.516 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -18.936 -8.177 0.346 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -20.121 -6.901 0.646 1.00 0.00 H new