USER MOD reduce.3.24.130724 H: found=0, std=0, add=792, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 794 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 67 CYS SG : rot 180:sc= 0.243 USER MOD Set 1.2: A 83 THR OG1 : rot 82:sc= 0.427 USER MOD Set 1.3: A 93 HIS : no HD1:sc= 0 X(o=0.67,f=0.67) USER MOD Single : A 17 GLN : amide:sc= 0.0398 K(o=0.04,f=-0.53) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -0.621 K(o=-0.62,f=-1.6) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= -0.0697 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 44 THR OG1 : rot 26:sc= 0.892 USER MOD Single : A 46 GLN : amide:sc= -0.334 K(o=-0.33,f=-2.2!) USER MOD Single : A 55 HIS : no HE2:sc= -0.402 X(o=-0.4,f=-0.66) USER MOD Single : A 57 ASN : amide:sc= -1.81 K(o=-1.8,f=-2.7!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 SER OG : rot 26:sc= 0.199 USER MOD Single : A 95 CYS SG : rot 180:sc= -0.166 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 MET CE :methyl -137:sc= -0.132 (180deg=-1.94!) USER MOD Single : A 113 ASN : amide:sc= -1.68 K(o=-1.7,f=-3.5!) USER MOD Single : A 114 SER OG : rot -56:sc= 0.275 USER MOD Single : A 115 THR OG1 : rot 9:sc= 0.45 USER MOD ----------------------------------------------------------------- ATOM 66 N LEU A 8 0.200 6.320 9.347 1.00 0.00 N ATOM 67 CA LEU A 8 -0.492 5.091 8.974 1.00 0.00 C ATOM 68 C LEU A 8 -1.659 5.385 8.037 1.00 0.00 C ATOM 69 O LEU A 8 -2.315 6.421 8.152 1.00 0.00 O ATOM 70 CB LEU A 8 -0.996 4.367 10.224 1.00 0.00 C ATOM 71 CG LEU A 8 -1.927 3.178 9.982 1.00 0.00 C ATOM 72 CD1 LEU A 8 -1.127 1.947 9.586 1.00 0.00 C ATOM 73 CD2 LEU A 8 -2.765 2.897 11.220 1.00 0.00 C ATOM 0 HA LEU A 8 0.216 4.449 8.450 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -0.132 4.017 10.790 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -1.518 5.089 10.852 1.00 0.00 H new ATOM 0 HG LEU A 8 -2.600 3.428 9.162 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -1.806 1.111 9.418 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -0.571 2.153 8.671 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -0.430 1.694 10.385 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -3.422 2.048 11.030 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -2.109 2.667 12.059 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -3.366 3.774 11.459 1.00 0.00 H new ATOM 85 N VAL A 9 -1.914 4.467 7.111 1.00 0.00 N ATOM 86 CA VAL A 9 -3.005 4.626 6.156 1.00 0.00 C ATOM 87 C VAL A 9 -4.140 3.653 6.452 1.00 0.00 C ATOM 88 O VAL A 9 -5.276 4.063 6.692 1.00 0.00 O ATOM 89 CB VAL A 9 -2.521 4.409 4.710 1.00 0.00 C ATOM 90 CG1 VAL A 9 -3.680 4.540 3.734 1.00 0.00 C ATOM 91 CG2 VAL A 9 -1.410 5.391 4.368 1.00 0.00 C ATOM 0 H VAL A 9 -1.380 3.605 7.001 1.00 0.00 H new ATOM 0 HA VAL A 9 -3.370 5.648 6.259 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.120 3.399 4.626 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.319 4.384 2.717 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -4.439 3.794 3.968 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.114 5.537 3.816 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -1.080 5.224 3.343 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.782 6.411 4.468 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -0.571 5.243 5.048 1.00 0.00 H new ATOM 101 N ARG A 10 -3.826 2.362 6.433 1.00 0.00 N ATOM 102 CA ARG A 10 -4.821 1.329 6.698 1.00 0.00 C ATOM 103 C ARG A 10 -4.150 0.021 7.106 1.00 0.00 C ATOM 104 O ARG A 10 -3.004 -0.241 6.743 1.00 0.00 O ATOM 105 CB ARG A 10 -5.694 1.103 5.463 1.00 0.00 C ATOM 106 CG ARG A 10 -6.992 0.369 5.760 1.00 0.00 C ATOM 107 CD ARG A 10 -7.545 -0.309 4.517 1.00 0.00 C ATOM 108 NE ARG A 10 -7.905 0.656 3.481 1.00 0.00 N ATOM 109 CZ ARG A 10 -9.003 1.402 3.521 1.00 0.00 C ATOM 110 NH1 ARG A 10 -9.843 1.296 4.541 1.00 0.00 N ATOM 111 NH2 ARG A 10 -9.261 2.258 2.541 1.00 0.00 N ATOM 0 H ARG A 10 -2.890 2.006 6.237 1.00 0.00 H new ATOM 0 HA ARG A 10 -5.450 1.668 7.521 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -5.927 2.068 5.012 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -5.126 0.535 4.726 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -6.820 -0.376 6.537 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -7.728 1.072 6.150 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -6.804 -1.004 4.123 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -8.423 -0.897 4.785 1.00 0.00 H new ATOM 0 HE ARG A 10 -7.279 0.763 2.683 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -9.647 0.640 5.297 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -10.686 1.870 4.570 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -8.616 2.344 1.756 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -10.105 2.830 2.573 1.00 0.00 H new ATOM 125 N GLY A 11 -4.874 -0.798 7.864 1.00 0.00 N ATOM 126 CA GLY A 11 -4.333 -2.068 8.310 1.00 0.00 C ATOM 127 C GLY A 11 -5.156 -3.248 7.834 1.00 0.00 C ATOM 128 O GLY A 11 -5.758 -3.202 6.762 1.00 0.00 O ATOM 0 H GLY A 11 -5.825 -0.604 8.177 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -3.311 -2.172 7.946 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -4.286 -2.077 9.399 1.00 0.00 H new ATOM 132 N GLY A 12 -5.183 -4.311 8.633 1.00 0.00 N ATOM 133 CA GLY A 12 -5.941 -5.494 8.270 1.00 0.00 C ATOM 134 C GLY A 12 -5.108 -6.759 8.336 1.00 0.00 C ATOM 135 O GLY A 12 -3.913 -6.708 8.628 1.00 0.00 O ATOM 0 H GLY A 12 -4.693 -4.374 9.525 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -6.798 -5.592 8.937 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -6.335 -5.374 7.261 1.00 0.00 H new ATOM 139 N TRP A 13 -5.740 -7.895 8.067 1.00 0.00 N ATOM 140 CA TRP A 13 -5.049 -9.180 8.100 1.00 0.00 C ATOM 141 C TRP A 13 -5.178 -9.901 6.763 1.00 0.00 C ATOM 142 O TRP A 13 -6.255 -9.938 6.167 1.00 0.00 O ATOM 143 CB TRP A 13 -5.609 -10.055 9.222 1.00 0.00 C ATOM 144 CG TRP A 13 -5.159 -9.632 10.587 1.00 0.00 C ATOM 145 CD1 TRP A 13 -5.720 -8.666 11.373 1.00 0.00 C ATOM 146 CD2 TRP A 13 -4.051 -10.159 11.326 1.00 0.00 C ATOM 147 NE1 TRP A 13 -5.029 -8.561 12.556 1.00 0.00 N ATOM 148 CE2 TRP A 13 -4.001 -9.466 12.552 1.00 0.00 C ATOM 149 CE3 TRP A 13 -3.099 -11.149 11.073 1.00 0.00 C ATOM 150 CZ2 TRP A 13 -3.035 -9.734 13.518 1.00 0.00 C ATOM 151 CZ3 TRP A 13 -2.141 -11.413 12.033 1.00 0.00 C ATOM 152 CH2 TRP A 13 -2.115 -10.709 13.244 1.00 0.00 C ATOM 0 H TRP A 13 -6.729 -7.954 7.824 1.00 0.00 H new ATOM 0 HA TRP A 13 -3.992 -8.992 8.290 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -6.698 -10.031 9.183 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -5.307 -11.088 9.052 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -6.581 -8.072 11.104 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -5.246 -7.914 13.314 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -3.111 -11.699 10.143 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -3.013 -9.191 14.451 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -1.399 -12.175 11.847 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -1.354 -10.940 13.975 1.00 0.00 H new ATOM 163 N LEU A 14 -4.074 -10.474 6.296 1.00 0.00 N ATOM 164 CA LEU A 14 -4.064 -11.196 5.028 1.00 0.00 C ATOM 165 C LEU A 14 -3.148 -12.413 5.102 1.00 0.00 C ATOM 166 O LEU A 14 -2.218 -12.455 5.908 1.00 0.00 O ATOM 167 CB LEU A 14 -3.611 -10.271 3.896 1.00 0.00 C ATOM 168 CG LEU A 14 -4.324 -8.921 3.807 1.00 0.00 C ATOM 169 CD1 LEU A 14 -3.468 -7.914 3.055 1.00 0.00 C ATOM 170 CD2 LEU A 14 -5.681 -9.078 3.135 1.00 0.00 C ATOM 0 H LEU A 14 -3.174 -10.453 6.776 1.00 0.00 H new ATOM 0 HA LEU A 14 -5.078 -11.539 4.825 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.542 -10.088 4.009 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.747 -10.794 2.950 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.483 -8.548 4.819 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.992 -6.959 3.002 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.521 -7.780 3.577 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.277 -8.280 2.046 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.174 -8.108 3.080 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.545 -9.473 2.128 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.297 -9.766 3.715 1.00 0.00 H new ATOM 182 N TRP A 15 -3.416 -13.400 4.255 1.00 0.00 N ATOM 183 CA TRP A 15 -2.615 -14.619 4.223 1.00 0.00 C ATOM 184 C TRP A 15 -1.470 -14.491 3.224 1.00 0.00 C ATOM 185 O TRP A 15 -1.696 -14.306 2.028 1.00 0.00 O ATOM 186 CB TRP A 15 -3.490 -15.820 3.864 1.00 0.00 C ATOM 187 CG TRP A 15 -4.529 -16.129 4.899 1.00 0.00 C ATOM 188 CD1 TRP A 15 -5.855 -15.802 4.852 1.00 0.00 C ATOM 189 CD2 TRP A 15 -4.329 -16.823 6.135 1.00 0.00 C ATOM 190 NE1 TRP A 15 -6.490 -16.252 5.985 1.00 0.00 N ATOM 191 CE2 TRP A 15 -5.576 -16.882 6.787 1.00 0.00 C ATOM 192 CE3 TRP A 15 -3.218 -17.403 6.753 1.00 0.00 C ATOM 193 CZ2 TRP A 15 -5.739 -17.496 8.025 1.00 0.00 C ATOM 194 CZ3 TRP A 15 -3.381 -18.011 7.982 1.00 0.00 C ATOM 195 CH2 TRP A 15 -4.635 -18.055 8.608 1.00 0.00 C ATOM 0 H TRP A 15 -4.182 -13.381 3.581 1.00 0.00 H new ATOM 0 HA TRP A 15 -2.191 -14.772 5.216 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -3.983 -15.629 2.911 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -2.855 -16.695 3.725 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -6.333 -15.269 4.044 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -7.481 -16.136 6.194 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -2.249 -17.376 6.278 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -6.704 -17.530 8.509 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -2.528 -18.460 8.469 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -4.731 -18.539 9.569 1.00 0.00 H new ATOM 206 N ARG A 16 -0.242 -14.591 3.722 1.00 0.00 N ATOM 207 CA ARG A 16 0.938 -14.486 2.872 1.00 0.00 C ATOM 208 C ARG A 16 1.620 -15.842 2.717 1.00 0.00 C ATOM 209 O ARG A 16 1.666 -16.634 3.658 1.00 0.00 O ATOM 210 CB ARG A 16 1.923 -13.471 3.454 1.00 0.00 C ATOM 211 CG ARG A 16 3.343 -13.633 2.935 1.00 0.00 C ATOM 212 CD ARG A 16 4.137 -12.344 3.072 1.00 0.00 C ATOM 213 NE ARG A 16 5.553 -12.539 2.775 1.00 0.00 N ATOM 214 CZ ARG A 16 6.047 -12.578 1.542 1.00 0.00 C ATOM 215 NH1 ARG A 16 5.243 -12.436 0.498 1.00 0.00 N ATOM 216 NH2 ARG A 16 7.348 -12.759 1.353 1.00 0.00 N ATOM 0 H ARG A 16 -0.038 -14.745 4.710 1.00 0.00 H new ATOM 0 HA ARG A 16 0.616 -14.147 1.887 1.00 0.00 H new ATOM 0 HB2 ARG A 16 1.573 -12.465 3.223 1.00 0.00 H new ATOM 0 HB3 ARG A 16 1.929 -13.565 4.540 1.00 0.00 H new ATOM 0 HG2 ARG A 16 3.844 -14.430 3.485 1.00 0.00 H new ATOM 0 HG3 ARG A 16 3.317 -13.936 1.888 1.00 0.00 H new ATOM 0 HD2 ARG A 16 3.726 -11.592 2.399 1.00 0.00 H new ATOM 0 HD3 ARG A 16 4.029 -11.958 4.086 1.00 0.00 H new ATOM 0 HE ARG A 16 6.198 -12.651 3.557 1.00 0.00 H new ATOM 0 HH11 ARG A 16 4.243 -12.296 0.640 1.00 0.00 H new ATOM 0 HH12 ARG A 16 5.625 -12.466 -0.447 1.00 0.00 H new ATOM 0 HH21 ARG A 16 7.969 -12.868 2.154 1.00 0.00 H new ATOM 0 HH22 ARG A 16 7.727 -12.789 0.406 1.00 0.00 H new ATOM 230 N GLN A 17 2.146 -16.102 1.525 1.00 0.00 N ATOM 231 CA GLN A 17 2.824 -17.362 1.247 1.00 0.00 C ATOM 232 C GLN A 17 4.263 -17.329 1.750 1.00 0.00 C ATOM 233 O GLN A 17 4.847 -16.259 1.919 1.00 0.00 O ATOM 234 CB GLN A 17 2.802 -17.658 -0.253 1.00 0.00 C ATOM 235 CG GLN A 17 2.866 -19.141 -0.582 1.00 0.00 C ATOM 236 CD GLN A 17 2.347 -19.453 -1.972 1.00 0.00 C ATOM 237 OE1 GLN A 17 3.064 -20.009 -2.805 1.00 0.00 O ATOM 238 NE2 GLN A 17 1.094 -19.096 -2.231 1.00 0.00 N ATOM 0 H GLN A 17 2.116 -15.456 0.736 1.00 0.00 H new ATOM 0 HA GLN A 17 2.293 -18.155 1.774 1.00 0.00 H new ATOM 0 HB2 GLN A 17 1.894 -17.238 -0.684 1.00 0.00 H new ATOM 0 HB3 GLN A 17 3.643 -17.153 -0.727 1.00 0.00 H new ATOM 0 HG2 GLN A 17 3.897 -19.484 -0.498 1.00 0.00 H new ATOM 0 HG3 GLN A 17 2.284 -19.698 0.153 1.00 0.00 H new ATOM 0 HE21 GLN A 17 0.535 -18.637 -1.511 1.00 0.00 H new ATOM 0 HE22 GLN A 17 0.691 -19.280 -3.150 1.00 0.00 H new ATOM 331 N ARG A 23 3.630 -22.046 2.224 1.00 0.00 N ATOM 332 CA ARG A 23 2.412 -22.168 3.017 1.00 0.00 C ATOM 333 C ARG A 23 1.847 -20.793 3.361 1.00 0.00 C ATOM 334 O ARG A 23 2.595 -19.840 3.580 1.00 0.00 O ATOM 335 CB ARG A 23 2.691 -22.952 4.301 1.00 0.00 C ATOM 336 CG ARG A 23 2.569 -24.458 4.134 1.00 0.00 C ATOM 337 CD ARG A 23 3.243 -25.201 5.276 1.00 0.00 C ATOM 338 NE ARG A 23 2.366 -25.334 6.436 1.00 0.00 N ATOM 339 CZ ARG A 23 1.277 -26.095 6.451 1.00 0.00 C ATOM 340 NH1 ARG A 23 0.934 -26.788 5.374 1.00 0.00 N ATOM 341 NH2 ARG A 23 0.530 -26.164 7.545 1.00 0.00 N ATOM 0 HA ARG A 23 1.674 -22.707 2.423 1.00 0.00 H new ATOM 0 HB2 ARG A 23 3.695 -22.714 4.651 1.00 0.00 H new ATOM 0 HB3 ARG A 23 1.998 -22.623 5.075 1.00 0.00 H new ATOM 0 HG2 ARG A 23 1.516 -24.736 4.089 1.00 0.00 H new ATOM 0 HG3 ARG A 23 3.019 -24.758 3.188 1.00 0.00 H new ATOM 0 HD2 ARG A 23 3.546 -26.191 4.935 1.00 0.00 H new ATOM 0 HD3 ARG A 23 4.151 -24.672 5.567 1.00 0.00 H new ATOM 0 HE ARG A 23 2.602 -24.814 7.281 1.00 0.00 H new ATOM 0 HH11 ARG A 23 1.507 -26.738 4.531 1.00 0.00 H new ATOM 0 HH12 ARG A 23 0.098 -27.372 5.388 1.00 0.00 H new ATOM 0 HH21 ARG A 23 0.791 -25.633 8.375 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -0.306 -26.748 7.556 1.00 0.00 H new ATOM 355 N TRP A 24 0.523 -20.698 3.404 1.00 0.00 N ATOM 356 CA TRP A 24 -0.143 -19.439 3.721 1.00 0.00 C ATOM 357 C TRP A 24 -0.168 -19.200 5.226 1.00 0.00 C ATOM 358 O TRP A 24 -0.422 -20.118 6.007 1.00 0.00 O ATOM 359 CB TRP A 24 -1.569 -19.439 3.168 1.00 0.00 C ATOM 360 CG TRP A 24 -1.626 -19.544 1.674 1.00 0.00 C ATOM 361 CD1 TRP A 24 -1.718 -20.689 0.935 1.00 0.00 C ATOM 362 CD2 TRP A 24 -1.595 -18.461 0.737 1.00 0.00 C ATOM 363 NE1 TRP A 24 -1.744 -20.384 -0.404 1.00 0.00 N ATOM 364 CE2 TRP A 24 -1.671 -19.024 -0.552 1.00 0.00 C ATOM 365 CE3 TRP A 24 -1.511 -17.072 0.862 1.00 0.00 C ATOM 366 CZ2 TRP A 24 -1.665 -18.244 -1.706 1.00 0.00 C ATOM 367 CZ3 TRP A 24 -1.505 -16.300 -0.284 1.00 0.00 C ATOM 368 CH2 TRP A 24 -1.583 -16.887 -1.554 1.00 0.00 C ATOM 0 H TRP A 24 -0.111 -21.477 3.224 1.00 0.00 H new ATOM 0 HA TRP A 24 0.420 -18.631 3.253 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -2.121 -20.271 3.605 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -2.072 -18.524 3.480 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -1.764 -21.688 1.344 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -1.807 -21.060 -1.165 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -1.452 -16.610 1.836 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -1.723 -18.695 -2.686 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -1.439 -15.225 -0.199 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -1.578 -16.256 -2.430 1.00 0.00 H new ATOM 379 N LYS A 25 0.097 -17.962 5.629 1.00 0.00 N ATOM 380 CA LYS A 25 0.103 -17.601 7.042 1.00 0.00 C ATOM 381 C LYS A 25 -0.455 -16.196 7.247 1.00 0.00 C ATOM 382 O LYS A 25 -0.257 -15.312 6.413 1.00 0.00 O ATOM 383 CB LYS A 25 1.523 -17.685 7.605 1.00 0.00 C ATOM 384 CG LYS A 25 2.428 -16.556 7.143 1.00 0.00 C ATOM 385 CD LYS A 25 3.895 -16.906 7.327 1.00 0.00 C ATOM 386 CE LYS A 25 4.768 -16.209 6.295 1.00 0.00 C ATOM 387 NZ LYS A 25 6.167 -16.718 6.316 1.00 0.00 N ATOM 0 H LYS A 25 0.311 -17.191 4.996 1.00 0.00 H new ATOM 0 HA LYS A 25 -0.534 -18.307 7.574 1.00 0.00 H new ATOM 0 HB2 LYS A 25 1.474 -17.678 8.694 1.00 0.00 H new ATOM 0 HB3 LYS A 25 1.965 -18.637 7.312 1.00 0.00 H new ATOM 0 HG2 LYS A 25 2.234 -16.340 6.093 1.00 0.00 H new ATOM 0 HG3 LYS A 25 2.196 -15.650 7.703 1.00 0.00 H new ATOM 0 HD2 LYS A 25 4.215 -16.620 8.329 1.00 0.00 H new ATOM 0 HD3 LYS A 25 4.026 -17.985 7.246 1.00 0.00 H new ATOM 0 HE2 LYS A 25 4.343 -16.356 5.302 1.00 0.00 H new ATOM 0 HE3 LYS A 25 4.769 -15.136 6.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 6.729 -16.218 5.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.582 -16.555 7.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.169 -17.737 6.109 1.00 0.00 H new ATOM 401 N ARG A 26 -1.150 -15.997 8.362 1.00 0.00 N ATOM 402 CA ARG A 26 -1.735 -14.699 8.676 1.00 0.00 C ATOM 403 C ARG A 26 -0.647 -13.651 8.894 1.00 0.00 C ATOM 404 O ARG A 26 0.392 -13.935 9.487 1.00 0.00 O ATOM 405 CB ARG A 26 -2.616 -14.801 9.922 1.00 0.00 C ATOM 406 CG ARG A 26 -4.066 -15.141 9.616 1.00 0.00 C ATOM 407 CD ARG A 26 -4.720 -15.883 10.771 1.00 0.00 C ATOM 408 NE ARG A 26 -5.014 -14.997 11.894 1.00 0.00 N ATOM 409 CZ ARG A 26 -5.928 -14.034 11.851 1.00 0.00 C ATOM 410 NH1 ARG A 26 -6.633 -13.834 10.746 1.00 0.00 N ATOM 411 NH2 ARG A 26 -6.138 -13.269 12.914 1.00 0.00 N ATOM 0 H ARG A 26 -1.322 -16.718 9.063 1.00 0.00 H new ATOM 0 HA ARG A 26 -2.349 -14.391 7.830 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -2.205 -15.562 10.586 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -2.579 -13.854 10.461 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -4.620 -14.225 9.410 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -4.115 -15.752 8.715 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -5.643 -16.350 10.426 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -4.063 -16.686 11.105 1.00 0.00 H new ATOM 0 HE ARG A 26 -4.489 -15.125 12.759 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -6.474 -14.420 9.927 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -7.334 -13.094 10.715 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -5.597 -13.420 13.766 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -6.840 -12.530 12.880 1.00 0.00 H new ATOM 425 N ASN A 27 -0.896 -12.438 8.409 1.00 0.00 N ATOM 426 CA ASN A 27 0.063 -11.348 8.550 1.00 0.00 C ATOM 427 C ASN A 27 -0.639 -9.995 8.485 1.00 0.00 C ATOM 428 O ASN A 27 -1.446 -9.745 7.588 1.00 0.00 O ATOM 429 CB ASN A 27 1.130 -11.435 7.457 1.00 0.00 C ATOM 430 CG ASN A 27 2.306 -12.301 7.865 1.00 0.00 C ATOM 431 OD1 ASN A 27 2.527 -13.372 7.300 1.00 0.00 O ATOM 432 ND2 ASN A 27 3.067 -11.839 8.850 1.00 0.00 N ATOM 0 H ASN A 27 -1.752 -12.186 7.916 1.00 0.00 H new ATOM 0 HA ASN A 27 0.543 -11.442 9.524 1.00 0.00 H new ATOM 0 HB2 ASN A 27 0.683 -11.838 6.548 1.00 0.00 H new ATOM 0 HB3 ASN A 27 1.486 -10.432 7.220 1.00 0.00 H new ATOM 0 HD21 ASN A 27 3.873 -12.378 9.167 1.00 0.00 H new ATOM 0 HD22 ASN A 27 2.846 -10.945 9.289 1.00 0.00 H new ATOM 439 N TRP A 28 -0.327 -9.126 9.439 1.00 0.00 N ATOM 440 CA TRP A 28 -0.927 -7.798 9.490 1.00 0.00 C ATOM 441 C TRP A 28 -0.133 -6.809 8.643 1.00 0.00 C ATOM 442 O TRP A 28 1.004 -6.469 8.972 1.00 0.00 O ATOM 443 CB TRP A 28 -1.003 -7.305 10.936 1.00 0.00 C ATOM 444 CG TRP A 28 -1.263 -5.833 11.048 1.00 0.00 C ATOM 445 CD1 TRP A 28 -0.344 -4.828 10.940 1.00 0.00 C ATOM 446 CD2 TRP A 28 -2.524 -5.201 11.293 1.00 0.00 C ATOM 447 NE1 TRP A 28 -0.959 -3.610 11.103 1.00 0.00 N ATOM 448 CE2 TRP A 28 -2.296 -3.812 11.320 1.00 0.00 C ATOM 449 CE3 TRP A 28 -3.824 -5.674 11.490 1.00 0.00 C ATOM 450 CZ2 TRP A 28 -3.320 -2.894 11.537 1.00 0.00 C ATOM 451 CZ3 TRP A 28 -4.839 -4.762 11.706 1.00 0.00 C ATOM 452 CH2 TRP A 28 -4.583 -3.385 11.728 1.00 0.00 C ATOM 0 H TRP A 28 0.338 -9.317 10.188 1.00 0.00 H new ATOM 0 HA TRP A 28 -1.936 -7.867 9.084 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -1.793 -7.847 11.456 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -0.067 -7.541 11.443 1.00 0.00 H new ATOM 0 HD1 TRP A 28 0.710 -4.970 10.754 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -0.495 -2.702 11.068 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -4.032 -6.734 11.474 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -3.124 -1.832 11.554 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -5.847 -5.117 11.861 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -5.398 -2.698 11.899 1.00 0.00 H new ATOM 463 N PHE A 29 -0.739 -6.349 7.553 1.00 0.00 N ATOM 464 CA PHE A 29 -0.087 -5.399 6.660 1.00 0.00 C ATOM 465 C PHE A 29 -0.539 -3.973 6.958 1.00 0.00 C ATOM 466 O PHE A 29 -1.671 -3.746 7.383 1.00 0.00 O ATOM 467 CB PHE A 29 -0.391 -5.748 5.201 1.00 0.00 C ATOM 468 CG PHE A 29 0.320 -6.980 4.718 1.00 0.00 C ATOM 469 CD1 PHE A 29 -0.020 -8.229 5.210 1.00 0.00 C ATOM 470 CD2 PHE A 29 1.329 -6.888 3.773 1.00 0.00 C ATOM 471 CE1 PHE A 29 0.632 -9.365 4.768 1.00 0.00 C ATOM 472 CE2 PHE A 29 1.984 -8.020 3.327 1.00 0.00 C ATOM 473 CZ PHE A 29 1.636 -9.260 3.826 1.00 0.00 C ATOM 0 H PHE A 29 -1.680 -6.619 7.267 1.00 0.00 H new ATOM 0 HA PHE A 29 0.988 -5.462 6.826 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.466 -5.890 5.086 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -0.111 -4.905 4.568 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -0.804 -8.317 5.948 1.00 0.00 H new ATOM 0 HD2 PHE A 29 1.607 -5.921 3.381 1.00 0.00 H new ATOM 0 HE1 PHE A 29 0.356 -10.333 5.159 1.00 0.00 H new ATOM 0 HE2 PHE A 29 2.768 -7.935 2.589 1.00 0.00 H new ATOM 0 HZ PHE A 29 2.148 -10.146 3.480 1.00 0.00 H new ATOM 483 N ALA A 30 0.355 -3.016 6.733 1.00 0.00 N ATOM 484 CA ALA A 30 0.048 -1.612 6.977 1.00 0.00 C ATOM 485 C ALA A 30 0.871 -0.705 6.068 1.00 0.00 C ATOM 486 O ALA A 30 2.086 -0.866 5.948 1.00 0.00 O ATOM 487 CB ALA A 30 0.295 -1.263 8.437 1.00 0.00 C ATOM 0 H ALA A 30 1.297 -3.187 6.382 1.00 0.00 H new ATOM 0 HA ALA A 30 -1.006 -1.451 6.750 1.00 0.00 H new ATOM 0 HB1 ALA A 30 0.062 -0.212 8.604 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -0.340 -1.881 9.071 1.00 0.00 H new ATOM 0 HB3 ALA A 30 1.341 -1.446 8.683 1.00 0.00 H new ATOM 493 N LEU A 31 0.201 0.249 5.429 1.00 0.00 N ATOM 494 CA LEU A 31 0.871 1.182 4.529 1.00 0.00 C ATOM 495 C LEU A 31 1.249 2.466 5.260 1.00 0.00 C ATOM 496 O LEU A 31 0.476 2.984 6.065 1.00 0.00 O ATOM 497 CB LEU A 31 -0.030 1.507 3.337 1.00 0.00 C ATOM 498 CG LEU A 31 0.423 2.666 2.449 1.00 0.00 C ATOM 499 CD1 LEU A 31 1.630 2.261 1.616 1.00 0.00 C ATOM 500 CD2 LEU A 31 -0.716 3.128 1.551 1.00 0.00 C ATOM 0 H LEU A 31 -0.804 0.396 5.517 1.00 0.00 H new ATOM 0 HA LEU A 31 1.784 0.709 4.168 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.116 0.614 2.718 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.028 1.732 3.713 1.00 0.00 H new ATOM 0 HG LEU A 31 0.713 3.498 3.091 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.938 3.099 0.990 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.450 1.981 2.277 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.368 1.413 0.983 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.375 3.953 0.926 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.037 2.302 0.917 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.552 3.460 2.166 1.00 0.00 H new ATOM 512 N TRP A 32 2.441 2.975 4.972 1.00 0.00 N ATOM 513 CA TRP A 32 2.921 4.200 5.601 1.00 0.00 C ATOM 514 C TRP A 32 2.861 5.372 4.627 1.00 0.00 C ATOM 515 O TRP A 32 2.918 5.184 3.411 1.00 0.00 O ATOM 516 CB TRP A 32 4.354 4.013 6.104 1.00 0.00 C ATOM 517 CG TRP A 32 4.507 2.853 7.041 1.00 0.00 C ATOM 518 CD1 TRP A 32 5.156 1.678 6.791 1.00 0.00 C ATOM 519 CD2 TRP A 32 4.000 2.758 8.376 1.00 0.00 C ATOM 520 NE1 TRP A 32 5.083 0.857 7.890 1.00 0.00 N ATOM 521 CE2 TRP A 32 4.380 1.497 8.877 1.00 0.00 C ATOM 522 CE3 TRP A 32 3.264 3.615 9.198 1.00 0.00 C ATOM 523 CZ2 TRP A 32 4.046 1.075 10.161 1.00 0.00 C ATOM 524 CZ3 TRP A 32 2.933 3.194 10.473 1.00 0.00 C ATOM 525 CH2 TRP A 32 3.325 1.934 10.944 1.00 0.00 C ATOM 0 H TRP A 32 3.093 2.559 4.307 1.00 0.00 H new ATOM 0 HA TRP A 32 2.272 4.421 6.448 1.00 0.00 H new ATOM 0 HB2 TRP A 32 5.016 3.871 5.250 1.00 0.00 H new ATOM 0 HB3 TRP A 32 4.676 4.924 6.609 1.00 0.00 H new ATOM 0 HD1 TRP A 32 5.654 1.430 5.865 1.00 0.00 H new ATOM 0 HE1 TRP A 32 5.486 -0.077 7.960 1.00 0.00 H new ATOM 0 HE3 TRP A 32 2.959 4.589 8.844 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 4.346 0.104 10.526 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 2.363 3.847 11.117 1.00 0.00 H new ATOM 0 HH2 TRP A 32 3.052 1.635 11.945 1.00 0.00 H new ATOM 536 N LEU A 33 2.744 6.580 5.167 1.00 0.00 N ATOM 537 CA LEU A 33 2.676 7.783 4.345 1.00 0.00 C ATOM 538 C LEU A 33 4.003 8.033 3.635 1.00 0.00 C ATOM 539 O LEU A 33 4.044 8.669 2.581 1.00 0.00 O ATOM 540 CB LEU A 33 2.309 8.993 5.205 1.00 0.00 C ATOM 541 CG LEU A 33 0.933 8.950 5.872 1.00 0.00 C ATOM 542 CD1 LEU A 33 0.351 10.350 5.985 1.00 0.00 C ATOM 543 CD2 LEU A 33 -0.007 8.040 5.095 1.00 0.00 C ATOM 0 H LEU A 33 2.694 6.752 6.171 1.00 0.00 H new ATOM 0 HA LEU A 33 1.903 7.634 3.591 1.00 0.00 H new ATOM 0 HB2 LEU A 33 3.064 9.103 5.983 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.361 9.886 4.582 1.00 0.00 H new ATOM 0 HG LEU A 33 1.049 8.546 6.877 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.628 10.300 6.462 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.015 10.973 6.584 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.248 10.783 4.990 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.981 8.021 5.583 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.118 8.415 4.078 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.404 7.031 5.067 1.00 0.00 H new ATOM 555 N ASP A 34 5.084 7.527 4.218 1.00 0.00 N ATOM 556 CA ASP A 34 6.412 7.692 3.639 1.00 0.00 C ATOM 557 C ASP A 34 6.505 7.000 2.283 1.00 0.00 C ATOM 558 O ASP A 34 7.469 7.190 1.542 1.00 0.00 O ATOM 559 CB ASP A 34 7.477 7.134 4.585 1.00 0.00 C ATOM 560 CG ASP A 34 7.509 7.862 5.915 1.00 0.00 C ATOM 561 OD1 ASP A 34 7.680 9.099 5.910 1.00 0.00 O ATOM 562 OD2 ASP A 34 7.363 7.194 6.960 1.00 0.00 O ATOM 0 H ASP A 34 5.067 6.999 5.091 1.00 0.00 H new ATOM 0 HA ASP A 34 6.588 8.758 3.494 1.00 0.00 H new ATOM 0 HB2 ASP A 34 7.286 6.075 4.758 1.00 0.00 H new ATOM 0 HB3 ASP A 34 8.455 7.208 4.110 1.00 0.00 H new ATOM 567 N GLY A 35 5.496 6.195 1.965 1.00 0.00 N ATOM 568 CA GLY A 35 5.484 5.485 0.700 1.00 0.00 C ATOM 569 C GLY A 35 6.148 4.125 0.791 1.00 0.00 C ATOM 570 O GLY A 35 6.904 3.734 -0.099 1.00 0.00 O ATOM 0 H GLY A 35 4.687 6.022 2.561 1.00 0.00 H new ATOM 0 HA2 GLY A 35 4.454 5.361 0.366 1.00 0.00 H new ATOM 0 HA3 GLY A 35 5.993 6.085 -0.054 1.00 0.00 H new ATOM 574 N THR A 36 5.868 3.403 1.871 1.00 0.00 N ATOM 575 CA THR A 36 6.446 2.081 2.077 1.00 0.00 C ATOM 576 C THR A 36 5.411 1.108 2.628 1.00 0.00 C ATOM 577 O THR A 36 4.400 1.519 3.199 1.00 0.00 O ATOM 578 CB THR A 36 7.646 2.136 3.041 1.00 0.00 C ATOM 579 OG1 THR A 36 7.344 2.990 4.150 1.00 0.00 O ATOM 580 CG2 THR A 36 8.890 2.644 2.328 1.00 0.00 C ATOM 0 H THR A 36 5.244 3.712 2.617 1.00 0.00 H new ATOM 0 HA THR A 36 6.788 1.731 1.103 1.00 0.00 H new ATOM 0 HB THR A 36 7.840 1.126 3.402 1.00 0.00 H new ATOM 0 HG1 THR A 36 8.111 3.019 4.759 1.00 0.00 H new ATOM 0 HG21 THR A 36 9.724 2.674 3.029 1.00 0.00 H new ATOM 0 HG22 THR A 36 9.134 1.976 1.502 1.00 0.00 H new ATOM 0 HG23 THR A 36 8.704 3.646 1.942 1.00 0.00 H new ATOM 588 N LEU A 37 5.668 -0.184 2.455 1.00 0.00 N ATOM 589 CA LEU A 37 4.758 -1.217 2.937 1.00 0.00 C ATOM 590 C LEU A 37 5.490 -2.217 3.826 1.00 0.00 C ATOM 591 O LEU A 37 6.437 -2.872 3.392 1.00 0.00 O ATOM 592 CB LEU A 37 4.111 -1.945 1.757 1.00 0.00 C ATOM 593 CG LEU A 37 2.816 -2.700 2.062 1.00 0.00 C ATOM 594 CD1 LEU A 37 1.664 -1.726 2.254 1.00 0.00 C ATOM 595 CD2 LEU A 37 2.501 -3.689 0.950 1.00 0.00 C ATOM 0 H LEU A 37 6.499 -0.541 1.984 1.00 0.00 H new ATOM 0 HA LEU A 37 3.981 -0.734 3.529 1.00 0.00 H new ATOM 0 HB2 LEU A 37 3.907 -1.215 0.974 1.00 0.00 H new ATOM 0 HB3 LEU A 37 4.834 -2.653 1.352 1.00 0.00 H new ATOM 0 HG LEU A 37 2.952 -3.258 2.989 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.751 -2.281 2.470 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.888 -1.057 3.085 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.527 -1.141 1.345 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.577 -4.217 1.184 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.384 -3.153 0.008 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.316 -4.407 0.860 1.00 0.00 H new ATOM 607 N GLY A 38 5.043 -2.330 5.073 1.00 0.00 N ATOM 608 CA GLY A 38 5.666 -3.254 6.003 1.00 0.00 C ATOM 609 C GLY A 38 4.672 -4.226 6.608 1.00 0.00 C ATOM 610 O GLY A 38 3.552 -3.846 6.950 1.00 0.00 O ATOM 0 H GLY A 38 4.261 -1.799 5.456 1.00 0.00 H new ATOM 0 HA2 GLY A 38 6.447 -3.812 5.487 1.00 0.00 H new ATOM 0 HA3 GLY A 38 6.150 -2.691 6.801 1.00 0.00 H new ATOM 614 N TYR A 39 5.082 -5.482 6.740 1.00 0.00 N ATOM 615 CA TYR A 39 4.218 -6.513 7.304 1.00 0.00 C ATOM 616 C TYR A 39 4.767 -7.015 8.636 1.00 0.00 C ATOM 617 O TYR A 39 5.902 -7.486 8.714 1.00 0.00 O ATOM 618 CB TYR A 39 4.075 -7.680 6.326 1.00 0.00 C ATOM 619 CG TYR A 39 5.348 -8.001 5.576 1.00 0.00 C ATOM 620 CD1 TYR A 39 5.721 -7.269 4.455 1.00 0.00 C ATOM 621 CD2 TYR A 39 6.178 -9.036 5.988 1.00 0.00 C ATOM 622 CE1 TYR A 39 6.883 -7.559 3.766 1.00 0.00 C ATOM 623 CE2 TYR A 39 7.343 -9.332 5.306 1.00 0.00 C ATOM 624 CZ TYR A 39 7.691 -8.591 4.196 1.00 0.00 C ATOM 625 OH TYR A 39 8.849 -8.884 3.514 1.00 0.00 O ATOM 0 H TYR A 39 6.007 -5.811 6.464 1.00 0.00 H new ATOM 0 HA TYR A 39 3.236 -6.073 7.479 1.00 0.00 H new ATOM 0 HB2 TYR A 39 3.753 -8.565 6.874 1.00 0.00 H new ATOM 0 HB3 TYR A 39 3.289 -7.447 5.608 1.00 0.00 H new ATOM 0 HD1 TYR A 39 5.092 -6.459 4.117 1.00 0.00 H new ATOM 0 HD2 TYR A 39 5.908 -9.619 6.856 1.00 0.00 H new ATOM 0 HE1 TYR A 39 7.157 -6.981 2.896 1.00 0.00 H new ATOM 0 HE2 TYR A 39 7.978 -10.139 5.640 1.00 0.00 H new ATOM 0 HH TYR A 39 9.302 -9.637 3.948 1.00 0.00 H new ATOM 635 N TYR A 40 3.953 -6.911 9.680 1.00 0.00 N ATOM 636 CA TYR A 40 4.356 -7.353 11.010 1.00 0.00 C ATOM 637 C TYR A 40 3.522 -8.547 11.464 1.00 0.00 C ATOM 638 O TYR A 40 2.538 -8.912 10.820 1.00 0.00 O ATOM 639 CB TYR A 40 4.217 -6.208 12.015 1.00 0.00 C ATOM 640 CG TYR A 40 4.995 -4.969 11.633 1.00 0.00 C ATOM 641 CD1 TYR A 40 4.508 -4.088 10.674 1.00 0.00 C ATOM 642 CD2 TYR A 40 6.216 -4.679 12.229 1.00 0.00 C ATOM 643 CE1 TYR A 40 5.215 -2.955 10.321 1.00 0.00 C ATOM 644 CE2 TYR A 40 6.929 -3.548 11.883 1.00 0.00 C ATOM 645 CZ TYR A 40 6.425 -2.689 10.929 1.00 0.00 C ATOM 646 OH TYR A 40 7.133 -1.562 10.581 1.00 0.00 O ATOM 0 H TYR A 40 3.010 -6.525 9.631 1.00 0.00 H new ATOM 0 HA TYR A 40 5.401 -7.660 10.961 1.00 0.00 H new ATOM 0 HB2 TYR A 40 3.163 -5.949 12.114 1.00 0.00 H new ATOM 0 HB3 TYR A 40 4.554 -6.551 12.993 1.00 0.00 H new ATOM 0 HD1 TYR A 40 3.561 -4.293 10.197 1.00 0.00 H new ATOM 0 HD2 TYR A 40 6.615 -5.350 12.976 1.00 0.00 H new ATOM 0 HE1 TYR A 40 4.823 -2.281 9.573 1.00 0.00 H new ATOM 0 HE2 TYR A 40 7.876 -3.337 12.357 1.00 0.00 H new ATOM 0 HH TYR A 40 7.962 -1.522 11.102 1.00 0.00 H new ATOM 656 N HIS A 41 3.923 -9.151 12.578 1.00 0.00 N ATOM 657 CA HIS A 41 3.213 -10.304 13.120 1.00 0.00 C ATOM 658 C HIS A 41 1.829 -9.903 13.622 1.00 0.00 C ATOM 659 O HIS A 41 0.820 -10.487 13.224 1.00 0.00 O ATOM 660 CB HIS A 41 4.016 -10.936 14.257 1.00 0.00 C ATOM 661 CG HIS A 41 5.053 -11.910 13.788 1.00 0.00 C ATOM 662 ND1 HIS A 41 4.846 -13.273 13.756 1.00 0.00 N ATOM 663 CD2 HIS A 41 6.311 -11.711 13.329 1.00 0.00 C ATOM 664 CE1 HIS A 41 5.933 -13.870 13.299 1.00 0.00 C ATOM 665 NE2 HIS A 41 6.836 -12.944 13.032 1.00 0.00 N ATOM 0 H HIS A 41 4.735 -8.861 13.123 1.00 0.00 H new ATOM 0 HA HIS A 41 3.093 -11.034 12.320 1.00 0.00 H new ATOM 0 HB2 HIS A 41 4.503 -10.147 14.829 1.00 0.00 H new ATOM 0 HB3 HIS A 41 3.331 -11.445 14.935 1.00 0.00 H new ATOM 0 HD2 HIS A 41 6.809 -10.759 13.217 1.00 0.00 H new ATOM 0 HE1 HIS A 41 6.061 -14.934 13.166 1.00 0.00 H new ATOM 0 HE2 HIS A 41 7.772 -13.117 12.665 1.00 0.00 H new ATOM 674 N ASP A 42 1.788 -8.904 14.496 1.00 0.00 N ATOM 675 CA ASP A 42 0.528 -8.424 15.052 1.00 0.00 C ATOM 676 C ASP A 42 0.515 -6.901 15.135 1.00 0.00 C ATOM 677 O ASP A 42 1.463 -6.239 14.712 1.00 0.00 O ATOM 678 CB ASP A 42 0.296 -9.025 16.439 1.00 0.00 C ATOM 679 CG ASP A 42 -1.173 -9.078 16.809 1.00 0.00 C ATOM 680 OD1 ASP A 42 -1.849 -10.050 16.414 1.00 0.00 O ATOM 681 OD2 ASP A 42 -1.647 -8.146 17.493 1.00 0.00 O ATOM 0 H ASP A 42 2.613 -8.410 14.835 1.00 0.00 H new ATOM 0 HA ASP A 42 -0.277 -8.740 14.388 1.00 0.00 H new ATOM 0 HB2 ASP A 42 0.712 -10.032 16.469 1.00 0.00 H new ATOM 0 HB3 ASP A 42 0.834 -8.436 17.182 1.00 0.00 H new ATOM 686 N GLU A 43 -0.565 -6.352 15.681 1.00 0.00 N ATOM 687 CA GLU A 43 -0.700 -4.906 15.817 1.00 0.00 C ATOM 688 C GLU A 43 0.606 -4.280 16.295 1.00 0.00 C ATOM 689 O GLU A 43 0.914 -3.132 15.970 1.00 0.00 O ATOM 690 CB GLU A 43 -1.828 -4.567 16.794 1.00 0.00 C ATOM 691 CG GLU A 43 -1.419 -4.665 18.254 1.00 0.00 C ATOM 692 CD GLU A 43 -2.603 -4.590 19.199 1.00 0.00 C ATOM 693 OE1 GLU A 43 -3.257 -5.631 19.415 1.00 0.00 O ATOM 694 OE2 GLU A 43 -2.875 -3.489 19.722 1.00 0.00 O ATOM 0 H GLU A 43 -1.359 -6.886 16.036 1.00 0.00 H new ATOM 0 HA GLU A 43 -0.942 -4.496 14.837 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -2.181 -3.556 16.591 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -2.667 -5.239 16.615 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -0.888 -5.603 18.416 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -0.722 -3.860 18.487 1.00 0.00 H new ATOM 701 N THR A 44 1.373 -5.041 17.069 1.00 0.00 N ATOM 702 CA THR A 44 2.645 -4.562 17.594 1.00 0.00 C ATOM 703 C THR A 44 3.758 -4.715 16.563 1.00 0.00 C ATOM 704 O THR A 44 4.148 -5.830 16.218 1.00 0.00 O ATOM 705 CB THR A 44 3.043 -5.314 18.877 1.00 0.00 C ATOM 706 OG1 THR A 44 3.269 -6.697 18.585 1.00 0.00 O ATOM 707 CG2 THR A 44 1.960 -5.185 19.938 1.00 0.00 C ATOM 0 H THR A 44 1.135 -5.993 17.346 1.00 0.00 H new ATOM 0 HA THR A 44 2.512 -3.506 17.828 1.00 0.00 H new ATOM 0 HB THR A 44 3.961 -4.870 19.261 1.00 0.00 H new ATOM 0 HG1 THR A 44 3.529 -6.795 17.645 1.00 0.00 H new ATOM 0 HG21 THR A 44 2.264 -5.724 20.835 1.00 0.00 H new ATOM 0 HG22 THR A 44 1.811 -4.133 20.180 1.00 0.00 H new ATOM 0 HG23 THR A 44 1.028 -5.605 19.560 1.00 0.00 H new ATOM 715 N ALA A 45 4.265 -3.588 16.074 1.00 0.00 N ATOM 716 CA ALA A 45 5.336 -3.598 15.085 1.00 0.00 C ATOM 717 C ALA A 45 6.696 -3.777 15.749 1.00 0.00 C ATOM 718 O ALA A 45 7.675 -3.141 15.360 1.00 0.00 O ATOM 719 CB ALA A 45 5.310 -2.316 14.267 1.00 0.00 C ATOM 0 H ALA A 45 3.951 -2.657 16.347 1.00 0.00 H new ATOM 0 HA ALA A 45 5.173 -4.445 14.418 1.00 0.00 H new ATOM 0 HB1 ALA A 45 6.115 -2.337 13.532 1.00 0.00 H new ATOM 0 HB2 ALA A 45 4.352 -2.231 13.754 1.00 0.00 H new ATOM 0 HB3 ALA A 45 5.444 -1.460 14.928 1.00 0.00 H new ATOM 725 N GLN A 46 6.750 -4.647 16.753 1.00 0.00 N ATOM 726 CA GLN A 46 7.991 -4.907 17.472 1.00 0.00 C ATOM 727 C GLN A 46 8.841 -5.937 16.735 1.00 0.00 C ATOM 728 O GLN A 46 10.067 -5.829 16.692 1.00 0.00 O ATOM 729 CB GLN A 46 7.691 -5.397 18.890 1.00 0.00 C ATOM 730 CG GLN A 46 6.810 -4.449 19.687 1.00 0.00 C ATOM 731 CD GLN A 46 6.132 -5.129 20.860 1.00 0.00 C ATOM 732 OE1 GLN A 46 6.156 -6.354 20.980 1.00 0.00 O ATOM 733 NE2 GLN A 46 5.522 -4.336 21.733 1.00 0.00 N ATOM 0 H GLN A 46 5.949 -5.183 17.086 1.00 0.00 H new ATOM 0 HA GLN A 46 8.551 -3.974 17.529 1.00 0.00 H new ATOM 0 HB2 GLN A 46 7.205 -6.371 18.834 1.00 0.00 H new ATOM 0 HB3 GLN A 46 8.631 -5.540 19.423 1.00 0.00 H new ATOM 0 HG2 GLN A 46 7.414 -3.619 20.053 1.00 0.00 H new ATOM 0 HG3 GLN A 46 6.051 -4.025 19.029 1.00 0.00 H new ATOM 0 HE21 GLN A 46 5.527 -3.325 21.594 1.00 0.00 H new ATOM 0 HE22 GLN A 46 5.048 -4.737 22.542 1.00 0.00 H new ATOM 742 N ASP A 47 8.183 -6.936 16.157 1.00 0.00 N ATOM 743 CA ASP A 47 8.878 -7.985 15.421 1.00 0.00 C ATOM 744 C ASP A 47 9.013 -7.617 13.947 1.00 0.00 C ATOM 745 O ASP A 47 8.821 -8.456 13.068 1.00 0.00 O ATOM 746 CB ASP A 47 8.134 -9.314 15.561 1.00 0.00 C ATOM 747 CG ASP A 47 9.057 -10.510 15.434 1.00 0.00 C ATOM 748 OD1 ASP A 47 9.657 -10.684 14.353 1.00 0.00 O ATOM 749 OD2 ASP A 47 9.178 -11.273 16.416 1.00 0.00 O ATOM 0 H ASP A 47 7.169 -7.041 16.184 1.00 0.00 H new ATOM 0 HA ASP A 47 9.877 -8.090 15.844 1.00 0.00 H new ATOM 0 HB2 ASP A 47 7.633 -9.346 16.528 1.00 0.00 H new ATOM 0 HB3 ASP A 47 7.358 -9.375 14.798 1.00 0.00 H new ATOM 754 N GLU A 48 9.344 -6.356 13.685 1.00 0.00 N ATOM 755 CA GLU A 48 9.503 -5.877 12.317 1.00 0.00 C ATOM 756 C GLU A 48 10.149 -6.944 11.438 1.00 0.00 C ATOM 757 O GLU A 48 11.303 -7.316 11.644 1.00 0.00 O ATOM 758 CB GLU A 48 10.349 -4.602 12.294 1.00 0.00 C ATOM 759 CG GLU A 48 10.577 -4.047 10.898 1.00 0.00 C ATOM 760 CD GLU A 48 11.658 -2.984 10.862 1.00 0.00 C ATOM 761 OE1 GLU A 48 12.847 -3.344 10.988 1.00 0.00 O ATOM 762 OE2 GLU A 48 11.314 -1.794 10.709 1.00 0.00 O ATOM 0 H GLU A 48 9.507 -5.649 14.402 1.00 0.00 H new ATOM 0 HA GLU A 48 8.512 -5.655 11.920 1.00 0.00 H new ATOM 0 HB2 GLU A 48 9.861 -3.841 12.903 1.00 0.00 H new ATOM 0 HB3 GLU A 48 11.315 -4.808 12.756 1.00 0.00 H new ATOM 0 HG2 GLU A 48 10.851 -4.862 10.228 1.00 0.00 H new ATOM 0 HG3 GLU A 48 9.645 -3.625 10.522 1.00 0.00 H new ATOM 769 N GLU A 49 9.394 -7.432 10.459 1.00 0.00 N ATOM 770 CA GLU A 49 9.892 -8.458 9.550 1.00 0.00 C ATOM 771 C GLU A 49 10.641 -7.829 8.378 1.00 0.00 C ATOM 772 O GLU A 49 11.775 -8.204 8.079 1.00 0.00 O ATOM 773 CB GLU A 49 8.737 -9.315 9.029 1.00 0.00 C ATOM 774 CG GLU A 49 8.289 -10.391 10.005 1.00 0.00 C ATOM 775 CD GLU A 49 6.968 -11.022 9.611 1.00 0.00 C ATOM 776 OE1 GLU A 49 6.945 -11.782 8.621 1.00 0.00 O ATOM 777 OE2 GLU A 49 5.957 -10.756 10.294 1.00 0.00 O ATOM 0 H GLU A 49 8.436 -7.134 10.275 1.00 0.00 H new ATOM 0 HA GLU A 49 10.584 -9.092 10.104 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.890 -8.668 8.800 1.00 0.00 H new ATOM 0 HB3 GLU A 49 9.039 -9.787 8.094 1.00 0.00 H new ATOM 0 HG2 GLU A 49 9.054 -11.165 10.063 1.00 0.00 H new ATOM 0 HG3 GLU A 49 8.198 -9.958 11.001 1.00 0.00 H new ATOM 784 N ASP A 50 9.999 -6.871 7.719 1.00 0.00 N ATOM 785 CA ASP A 50 10.603 -6.189 6.580 1.00 0.00 C ATOM 786 C ASP A 50 9.710 -5.054 6.090 1.00 0.00 C ATOM 787 O ASP A 50 8.586 -4.887 6.564 1.00 0.00 O ATOM 788 CB ASP A 50 10.860 -7.179 5.443 1.00 0.00 C ATOM 789 CG ASP A 50 12.218 -7.845 5.551 1.00 0.00 C ATOM 790 OD1 ASP A 50 13.234 -7.118 5.595 1.00 0.00 O ATOM 791 OD2 ASP A 50 12.266 -9.092 5.592 1.00 0.00 O ATOM 0 H ASP A 50 9.060 -6.549 7.954 1.00 0.00 H new ATOM 0 HA ASP A 50 11.553 -5.765 6.904 1.00 0.00 H new ATOM 0 HB2 ASP A 50 10.083 -7.943 5.448 1.00 0.00 H new ATOM 0 HB3 ASP A 50 10.789 -6.658 4.488 1.00 0.00 H new ATOM 796 N ARG A 51 10.218 -4.275 5.141 1.00 0.00 N ATOM 797 CA ARG A 51 9.468 -3.154 4.588 1.00 0.00 C ATOM 798 C ARG A 51 9.918 -2.847 3.163 1.00 0.00 C ATOM 799 O ARG A 51 11.101 -2.615 2.911 1.00 0.00 O ATOM 800 CB ARG A 51 9.641 -1.914 5.468 1.00 0.00 C ATOM 801 CG ARG A 51 9.121 -0.637 4.828 1.00 0.00 C ATOM 802 CD ARG A 51 9.743 0.597 5.464 1.00 0.00 C ATOM 803 NE ARG A 51 8.986 1.055 6.625 1.00 0.00 N ATOM 804 CZ ARG A 51 9.458 1.921 7.515 1.00 0.00 C ATOM 805 NH1 ARG A 51 10.678 2.421 7.376 1.00 0.00 N ATOM 806 NH2 ARG A 51 8.708 2.290 8.546 1.00 0.00 N ATOM 0 H ARG A 51 11.147 -4.400 4.739 1.00 0.00 H new ATOM 0 HA ARG A 51 8.414 -3.431 4.565 1.00 0.00 H new ATOM 0 HB2 ARG A 51 9.122 -2.074 6.413 1.00 0.00 H new ATOM 0 HB3 ARG A 51 10.698 -1.789 5.702 1.00 0.00 H new ATOM 0 HG2 ARG A 51 9.341 -0.648 3.760 1.00 0.00 H new ATOM 0 HG3 ARG A 51 8.037 -0.593 4.930 1.00 0.00 H new ATOM 0 HD2 ARG A 51 10.767 0.373 5.764 1.00 0.00 H new ATOM 0 HD3 ARG A 51 9.795 1.398 4.726 1.00 0.00 H new ATOM 0 HE ARG A 51 8.043 0.690 6.760 1.00 0.00 H new ATOM 0 HH11 ARG A 51 11.257 2.141 6.584 1.00 0.00 H new ATOM 0 HH12 ARG A 51 11.038 3.086 8.061 1.00 0.00 H new ATOM 0 HH21 ARG A 51 7.768 1.909 8.656 1.00 0.00 H new ATOM 0 HH22 ARG A 51 9.071 2.955 9.229 1.00 0.00 H new ATOM 820 N VAL A 52 8.968 -2.849 2.234 1.00 0.00 N ATOM 821 CA VAL A 52 9.266 -2.570 0.834 1.00 0.00 C ATOM 822 C VAL A 52 8.799 -1.174 0.440 1.00 0.00 C ATOM 823 O VAL A 52 8.109 -0.499 1.205 1.00 0.00 O ATOM 824 CB VAL A 52 8.604 -3.603 -0.097 1.00 0.00 C ATOM 825 CG1 VAL A 52 9.226 -4.977 0.101 1.00 0.00 C ATOM 826 CG2 VAL A 52 7.103 -3.649 0.141 1.00 0.00 C ATOM 0 H VAL A 52 7.985 -3.041 2.425 1.00 0.00 H new ATOM 0 HA VAL A 52 10.348 -2.632 0.722 1.00 0.00 H new ATOM 0 HB VAL A 52 8.776 -3.299 -1.129 1.00 0.00 H new ATOM 0 HG11 VAL A 52 8.745 -5.693 -0.565 1.00 0.00 H new ATOM 0 HG12 VAL A 52 10.291 -4.930 -0.124 1.00 0.00 H new ATOM 0 HG13 VAL A 52 9.088 -5.294 1.135 1.00 0.00 H new ATOM 0 HG21 VAL A 52 6.651 -4.384 -0.525 1.00 0.00 H new ATOM 0 HG22 VAL A 52 6.907 -3.929 1.176 1.00 0.00 H new ATOM 0 HG23 VAL A 52 6.673 -2.667 -0.057 1.00 0.00 H new ATOM 836 N VAL A 53 9.180 -0.744 -0.759 1.00 0.00 N ATOM 837 CA VAL A 53 8.799 0.572 -1.256 1.00 0.00 C ATOM 838 C VAL A 53 7.475 0.513 -2.009 1.00 0.00 C ATOM 839 O VAL A 53 7.222 -0.425 -2.767 1.00 0.00 O ATOM 840 CB VAL A 53 9.880 1.156 -2.185 1.00 0.00 C ATOM 841 CG1 VAL A 53 9.481 2.542 -2.665 1.00 0.00 C ATOM 842 CG2 VAL A 53 11.226 1.195 -1.478 1.00 0.00 C ATOM 0 H VAL A 53 9.753 -1.289 -1.404 1.00 0.00 H new ATOM 0 HA VAL A 53 8.690 1.219 -0.386 1.00 0.00 H new ATOM 0 HB VAL A 53 9.972 0.509 -3.057 1.00 0.00 H new ATOM 0 HG11 VAL A 53 10.257 2.938 -3.320 1.00 0.00 H new ATOM 0 HG12 VAL A 53 8.541 2.481 -3.213 1.00 0.00 H new ATOM 0 HG13 VAL A 53 9.359 3.203 -1.807 1.00 0.00 H new ATOM 0 HG21 VAL A 53 11.978 1.610 -2.149 1.00 0.00 H new ATOM 0 HG22 VAL A 53 11.151 1.818 -0.587 1.00 0.00 H new ATOM 0 HG23 VAL A 53 11.515 0.184 -1.190 1.00 0.00 H new ATOM 852 N ILE A 54 6.635 1.520 -1.797 1.00 0.00 N ATOM 853 CA ILE A 54 5.337 1.583 -2.458 1.00 0.00 C ATOM 854 C ILE A 54 5.312 2.678 -3.518 1.00 0.00 C ATOM 855 O ILE A 54 4.763 2.493 -4.605 1.00 0.00 O ATOM 856 CB ILE A 54 4.203 1.837 -1.447 1.00 0.00 C ATOM 857 CG1 ILE A 54 3.925 0.573 -0.630 1.00 0.00 C ATOM 858 CG2 ILE A 54 2.944 2.295 -2.168 1.00 0.00 C ATOM 859 CD1 ILE A 54 3.750 -0.667 -1.477 1.00 0.00 C ATOM 0 H ILE A 54 6.830 2.303 -1.173 1.00 0.00 H new ATOM 0 HA ILE A 54 5.179 0.616 -2.935 1.00 0.00 H new ATOM 0 HB ILE A 54 4.516 2.627 -0.764 1.00 0.00 H new ATOM 0 HG12 ILE A 54 4.747 0.413 0.068 1.00 0.00 H new ATOM 0 HG13 ILE A 54 3.025 0.726 -0.034 1.00 0.00 H new ATOM 0 HG21 ILE A 54 2.152 2.470 -1.440 1.00 0.00 H new ATOM 0 HG22 ILE A 54 3.150 3.218 -2.710 1.00 0.00 H new ATOM 0 HG23 ILE A 54 2.627 1.525 -2.871 1.00 0.00 H new ATOM 0 HD11 ILE A 54 3.556 -1.524 -0.832 1.00 0.00 H new ATOM 0 HD12 ILE A 54 2.910 -0.527 -2.157 1.00 0.00 H new ATOM 0 HD13 ILE A 54 4.658 -0.845 -2.054 1.00 0.00 H new ATOM 871 N HIS A 55 5.913 3.819 -3.197 1.00 0.00 N ATOM 872 CA HIS A 55 5.963 4.945 -4.123 1.00 0.00 C ATOM 873 C HIS A 55 6.546 4.518 -5.466 1.00 0.00 C ATOM 874 O HIS A 55 7.684 4.054 -5.541 1.00 0.00 O ATOM 875 CB HIS A 55 6.794 6.083 -3.531 1.00 0.00 C ATOM 876 CG HIS A 55 6.700 7.360 -4.309 1.00 0.00 C ATOM 877 ND1 HIS A 55 7.762 7.896 -5.007 1.00 0.00 N ATOM 878 CD2 HIS A 55 5.662 8.208 -4.497 1.00 0.00 C ATOM 879 CE1 HIS A 55 7.381 9.019 -5.589 1.00 0.00 C ATOM 880 NE2 HIS A 55 6.110 9.230 -5.296 1.00 0.00 N ATOM 0 H HIS A 55 6.372 3.989 -2.302 1.00 0.00 H new ATOM 0 HA HIS A 55 4.944 5.296 -4.285 1.00 0.00 H new ATOM 0 HB2 HIS A 55 6.468 6.266 -2.507 1.00 0.00 H new ATOM 0 HB3 HIS A 55 7.838 5.773 -3.482 1.00 0.00 H new ATOM 0 HD1 HIS A 55 8.695 7.489 -5.065 1.00 0.00 H new ATOM 0 HD2 HIS A 55 4.666 8.100 -4.093 1.00 0.00 H new ATOM 0 HE1 HIS A 55 8.003 9.656 -6.200 1.00 0.00 H new ATOM 889 N PHE A 56 5.759 4.676 -6.525 1.00 0.00 N ATOM 890 CA PHE A 56 6.197 4.305 -7.866 1.00 0.00 C ATOM 891 C PHE A 56 7.052 3.042 -7.828 1.00 0.00 C ATOM 892 O PHE A 56 8.078 2.954 -8.501 1.00 0.00 O ATOM 893 CB PHE A 56 6.987 5.450 -8.503 1.00 0.00 C ATOM 894 CG PHE A 56 6.117 6.534 -9.072 1.00 0.00 C ATOM 895 CD1 PHE A 56 5.654 6.456 -10.376 1.00 0.00 C ATOM 896 CD2 PHE A 56 5.762 7.631 -8.303 1.00 0.00 C ATOM 897 CE1 PHE A 56 4.854 7.453 -10.902 1.00 0.00 C ATOM 898 CE2 PHE A 56 4.962 8.630 -8.824 1.00 0.00 C ATOM 899 CZ PHE A 56 4.507 8.541 -10.125 1.00 0.00 C ATOM 0 H PHE A 56 4.814 5.058 -6.481 1.00 0.00 H new ATOM 0 HA PHE A 56 5.311 4.105 -8.468 1.00 0.00 H new ATOM 0 HB2 PHE A 56 7.651 5.883 -7.755 1.00 0.00 H new ATOM 0 HB3 PHE A 56 7.619 5.048 -9.295 1.00 0.00 H new ATOM 0 HD1 PHE A 56 5.921 5.607 -10.988 1.00 0.00 H new ATOM 0 HD2 PHE A 56 6.115 7.706 -7.285 1.00 0.00 H new ATOM 0 HE1 PHE A 56 4.500 7.381 -11.920 1.00 0.00 H new ATOM 0 HE2 PHE A 56 4.693 9.480 -8.214 1.00 0.00 H new ATOM 0 HZ PHE A 56 3.881 9.320 -10.534 1.00 0.00 H new ATOM 909 N ASN A 57 6.621 2.066 -7.035 1.00 0.00 N ATOM 910 CA ASN A 57 7.348 0.807 -6.908 1.00 0.00 C ATOM 911 C ASN A 57 6.463 -0.373 -7.300 1.00 0.00 C ATOM 912 O ASN A 57 6.945 -1.492 -7.477 1.00 0.00 O ATOM 913 CB ASN A 57 7.852 0.628 -5.475 1.00 0.00 C ATOM 914 CG ASN A 57 9.102 -0.227 -5.405 1.00 0.00 C ATOM 915 OD1 ASN A 57 10.148 0.138 -5.941 1.00 0.00 O ATOM 916 ND2 ASN A 57 8.999 -1.372 -4.740 1.00 0.00 N ATOM 0 H ASN A 57 5.773 2.122 -6.471 1.00 0.00 H new ATOM 0 HA ASN A 57 8.202 0.838 -7.585 1.00 0.00 H new ATOM 0 HB2 ASN A 57 8.059 1.606 -5.041 1.00 0.00 H new ATOM 0 HB3 ASN A 57 7.068 0.171 -4.871 1.00 0.00 H new ATOM 0 HD21 ASN A 57 9.807 -1.989 -4.658 1.00 0.00 H new ATOM 0 HD22 ASN A 57 8.112 -1.635 -4.311 1.00 0.00 H new ATOM 923 N VAL A 58 5.166 -0.114 -7.434 1.00 0.00 N ATOM 924 CA VAL A 58 4.214 -1.154 -7.807 1.00 0.00 C ATOM 925 C VAL A 58 4.053 -1.235 -9.320 1.00 0.00 C ATOM 926 O VAL A 58 3.349 -0.425 -9.924 1.00 0.00 O ATOM 927 CB VAL A 58 2.835 -0.908 -7.167 1.00 0.00 C ATOM 928 CG1 VAL A 58 1.840 -1.966 -7.618 1.00 0.00 C ATOM 929 CG2 VAL A 58 2.949 -0.883 -5.650 1.00 0.00 C ATOM 0 H VAL A 58 4.751 0.806 -7.290 1.00 0.00 H new ATOM 0 HA VAL A 58 4.615 -2.098 -7.437 1.00 0.00 H new ATOM 0 HB VAL A 58 2.469 0.064 -7.497 1.00 0.00 H new ATOM 0 HG11 VAL A 58 0.872 -1.775 -7.155 1.00 0.00 H new ATOM 0 HG12 VAL A 58 1.737 -1.930 -8.703 1.00 0.00 H new ATOM 0 HG13 VAL A 58 2.197 -2.952 -7.320 1.00 0.00 H new ATOM 0 HG21 VAL A 58 1.965 -0.708 -5.214 1.00 0.00 H new ATOM 0 HG22 VAL A 58 3.337 -1.839 -5.298 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.626 -0.084 -5.349 1.00 0.00 H new ATOM 939 N ARG A 59 4.710 -2.217 -9.928 1.00 0.00 N ATOM 940 CA ARG A 59 4.640 -2.404 -11.373 1.00 0.00 C ATOM 941 C ARG A 59 3.243 -2.848 -11.797 1.00 0.00 C ATOM 942 O ARG A 59 2.688 -2.340 -12.772 1.00 0.00 O ATOM 943 CB ARG A 59 5.674 -3.436 -11.826 1.00 0.00 C ATOM 944 CG ARG A 59 5.908 -3.444 -13.328 1.00 0.00 C ATOM 945 CD ARG A 59 6.745 -2.253 -13.767 1.00 0.00 C ATOM 946 NE ARG A 59 7.516 -2.542 -14.974 1.00 0.00 N ATOM 947 CZ ARG A 59 8.492 -3.441 -15.024 1.00 0.00 C ATOM 948 NH1 ARG A 59 8.815 -4.136 -13.943 1.00 0.00 N ATOM 949 NH2 ARG A 59 9.148 -3.647 -16.160 1.00 0.00 N ATOM 0 H ARG A 59 5.297 -2.896 -9.443 1.00 0.00 H new ATOM 0 HA ARG A 59 4.859 -1.448 -11.849 1.00 0.00 H new ATOM 0 HB2 ARG A 59 6.619 -3.237 -11.321 1.00 0.00 H new ATOM 0 HB3 ARG A 59 5.347 -4.427 -11.512 1.00 0.00 H new ATOM 0 HG2 ARG A 59 6.410 -4.368 -13.614 1.00 0.00 H new ATOM 0 HG3 ARG A 59 4.950 -3.428 -13.847 1.00 0.00 H new ATOM 0 HD2 ARG A 59 6.093 -1.399 -13.949 1.00 0.00 H new ATOM 0 HD3 ARG A 59 7.424 -1.970 -12.962 1.00 0.00 H new ATOM 0 HE ARG A 59 7.292 -2.025 -15.824 1.00 0.00 H new ATOM 0 HH11 ARG A 59 8.313 -3.981 -13.068 1.00 0.00 H new ATOM 0 HH12 ARG A 59 9.565 -4.826 -13.985 1.00 0.00 H new ATOM 0 HH21 ARG A 59 8.902 -3.115 -16.995 1.00 0.00 H new ATOM 0 HH22 ARG A 59 9.898 -4.338 -16.198 1.00 0.00 H new ATOM 963 N ASP A 60 2.680 -3.798 -11.058 1.00 0.00 N ATOM 964 CA ASP A 60 1.347 -4.310 -11.356 1.00 0.00 C ATOM 965 C ASP A 60 0.757 -5.026 -10.146 1.00 0.00 C ATOM 966 O ASP A 60 1.484 -5.443 -9.243 1.00 0.00 O ATOM 967 CB ASP A 60 1.400 -5.262 -12.552 1.00 0.00 C ATOM 968 CG ASP A 60 2.183 -4.687 -13.716 1.00 0.00 C ATOM 969 OD1 ASP A 60 1.642 -3.807 -14.418 1.00 0.00 O ATOM 970 OD2 ASP A 60 3.337 -5.117 -13.925 1.00 0.00 O ATOM 0 H ASP A 60 3.126 -4.229 -10.248 1.00 0.00 H new ATOM 0 HA ASP A 60 0.706 -3.464 -11.603 1.00 0.00 H new ATOM 0 HB2 ASP A 60 1.853 -6.204 -12.243 1.00 0.00 H new ATOM 0 HB3 ASP A 60 0.385 -5.489 -12.878 1.00 0.00 H new ATOM 975 N ILE A 61 -0.564 -5.165 -10.133 1.00 0.00 N ATOM 976 CA ILE A 61 -1.252 -5.830 -9.034 1.00 0.00 C ATOM 977 C ILE A 61 -2.359 -6.744 -9.550 1.00 0.00 C ATOM 978 O ILE A 61 -3.284 -6.295 -10.227 1.00 0.00 O ATOM 979 CB ILE A 61 -1.859 -4.812 -8.050 1.00 0.00 C ATOM 980 CG1 ILE A 61 -0.760 -3.932 -7.451 1.00 0.00 C ATOM 981 CG2 ILE A 61 -2.628 -5.531 -6.952 1.00 0.00 C ATOM 982 CD1 ILE A 61 -1.251 -3.020 -6.348 1.00 0.00 C ATOM 0 H ILE A 61 -1.180 -4.826 -10.872 1.00 0.00 H new ATOM 0 HA ILE A 61 -0.505 -6.427 -8.511 1.00 0.00 H new ATOM 0 HB ILE A 61 -2.554 -4.172 -8.594 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.032 -4.570 -7.058 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -0.319 -3.327 -8.243 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -3.051 -4.799 -6.265 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -3.432 -6.119 -7.396 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.953 -6.192 -6.408 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.419 -2.426 -5.970 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.022 -2.357 -6.740 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.666 -3.620 -5.538 1.00 0.00 H new ATOM 994 N LYS A 62 -2.258 -8.028 -9.224 1.00 0.00 N ATOM 995 CA LYS A 62 -3.252 -9.006 -9.651 1.00 0.00 C ATOM 996 C LYS A 62 -4.127 -9.440 -8.479 1.00 0.00 C ATOM 997 O LYS A 62 -3.641 -9.622 -7.363 1.00 0.00 O ATOM 998 CB LYS A 62 -2.564 -10.226 -10.267 1.00 0.00 C ATOM 999 CG LYS A 62 -1.608 -9.880 -11.396 1.00 0.00 C ATOM 1000 CD LYS A 62 -0.681 -11.040 -11.717 1.00 0.00 C ATOM 1001 CE LYS A 62 -1.334 -12.029 -12.670 1.00 0.00 C ATOM 1002 NZ LYS A 62 -1.181 -11.613 -14.091 1.00 0.00 N ATOM 0 H LYS A 62 -1.498 -8.416 -8.665 1.00 0.00 H new ATOM 0 HA LYS A 62 -3.888 -8.537 -10.402 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -2.016 -10.756 -9.488 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -3.325 -10.910 -10.643 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -2.177 -9.611 -12.286 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.017 -9.007 -11.119 1.00 0.00 H new ATOM 0 HD2 LYS A 62 0.239 -10.660 -12.160 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -0.403 -11.551 -10.795 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -0.890 -13.015 -12.530 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -2.393 -12.119 -12.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -1.639 -12.313 -14.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -1.626 -10.684 -14.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -0.170 -11.551 -14.328 1.00 0.00 H new ATOM 1016 N VAL A 63 -5.419 -9.606 -8.741 1.00 0.00 N ATOM 1017 CA VAL A 63 -6.361 -10.022 -7.708 1.00 0.00 C ATOM 1018 C VAL A 63 -7.344 -11.056 -8.246 1.00 0.00 C ATOM 1019 O VAL A 63 -7.806 -10.958 -9.382 1.00 0.00 O ATOM 1020 CB VAL A 63 -7.149 -8.822 -7.151 1.00 0.00 C ATOM 1021 CG1 VAL A 63 -8.170 -9.284 -6.123 1.00 0.00 C ATOM 1022 CG2 VAL A 63 -6.201 -7.796 -6.549 1.00 0.00 C ATOM 0 H VAL A 63 -5.838 -9.459 -9.659 1.00 0.00 H new ATOM 0 HA VAL A 63 -5.774 -10.466 -6.904 1.00 0.00 H new ATOM 0 HB VAL A 63 -7.686 -8.349 -7.973 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -8.717 -8.422 -5.741 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -8.868 -9.979 -6.590 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -7.658 -9.783 -5.300 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -6.775 -6.955 -6.160 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -5.635 -8.255 -5.738 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -5.513 -7.442 -7.317 1.00 0.00 H new ATOM 1032 N GLY A 64 -7.660 -12.049 -7.420 1.00 0.00 N ATOM 1033 CA GLY A 64 -8.587 -13.088 -7.829 1.00 0.00 C ATOM 1034 C GLY A 64 -8.227 -13.690 -9.173 1.00 0.00 C ATOM 1035 O GLY A 64 -7.097 -14.131 -9.379 1.00 0.00 O ATOM 0 H GLY A 64 -7.290 -12.152 -6.475 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -8.602 -13.874 -7.074 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -9.594 -12.674 -7.878 1.00 0.00 H new ATOM 1039 N GLN A 65 -9.190 -13.708 -10.089 1.00 0.00 N ATOM 1040 CA GLN A 65 -8.968 -14.263 -11.419 1.00 0.00 C ATOM 1041 C GLN A 65 -7.545 -13.987 -11.894 1.00 0.00 C ATOM 1042 O GLN A 65 -6.808 -14.908 -12.242 1.00 0.00 O ATOM 1043 CB GLN A 65 -9.973 -13.677 -12.413 1.00 0.00 C ATOM 1044 CG GLN A 65 -11.303 -14.412 -12.438 1.00 0.00 C ATOM 1045 CD GLN A 65 -12.426 -13.567 -13.005 1.00 0.00 C ATOM 1046 OE1 GLN A 65 -12.861 -12.595 -12.387 1.00 0.00 O ATOM 1047 NE2 GLN A 65 -12.904 -13.934 -14.189 1.00 0.00 N ATOM 0 H GLN A 65 -10.131 -13.345 -9.935 1.00 0.00 H new ATOM 0 HA GLN A 65 -9.110 -15.342 -11.363 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -10.150 -12.631 -12.164 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -9.537 -13.697 -13.412 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -11.201 -15.320 -13.032 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -11.562 -14.721 -11.425 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -12.514 -14.746 -14.667 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -13.661 -13.403 -14.620 1.00 0.00 H new ATOM 1056 N GLU A 66 -7.167 -12.712 -11.905 1.00 0.00 N ATOM 1057 CA GLU A 66 -5.833 -12.316 -12.338 1.00 0.00 C ATOM 1058 C GLU A 66 -4.792 -13.343 -11.901 1.00 0.00 C ATOM 1059 O GLU A 66 -3.983 -13.804 -12.708 1.00 0.00 O ATOM 1060 CB GLU A 66 -5.476 -10.940 -11.773 1.00 0.00 C ATOM 1061 CG GLU A 66 -6.534 -9.881 -12.036 1.00 0.00 C ATOM 1062 CD GLU A 66 -6.014 -8.472 -11.827 1.00 0.00 C ATOM 1063 OE1 GLU A 66 -5.059 -8.082 -12.532 1.00 0.00 O ATOM 1064 OE2 GLU A 66 -6.561 -7.759 -10.960 1.00 0.00 O ATOM 0 H GLU A 66 -7.766 -11.937 -11.619 1.00 0.00 H new ATOM 0 HA GLU A 66 -5.833 -12.264 -13.427 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -5.321 -11.027 -10.698 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -4.531 -10.613 -12.206 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -6.897 -9.982 -13.059 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -7.385 -10.052 -11.377 1.00 0.00 H new ATOM 1071 N CYS A 67 -4.818 -13.694 -10.621 1.00 0.00 N ATOM 1072 CA CYS A 67 -3.875 -14.665 -10.075 1.00 0.00 C ATOM 1073 C CYS A 67 -4.244 -16.081 -10.506 1.00 0.00 C ATOM 1074 O CYS A 67 -5.332 -16.569 -10.202 1.00 0.00 O ATOM 1075 CB CYS A 67 -3.845 -14.575 -8.549 1.00 0.00 C ATOM 1076 SG CYS A 67 -3.477 -12.922 -7.914 1.00 0.00 S ATOM 0 H CYS A 67 -5.481 -13.322 -9.941 1.00 0.00 H new ATOM 0 HA CYS A 67 -2.884 -14.432 -10.465 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -4.810 -14.896 -8.158 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -3.099 -15.273 -8.169 1.00 0.00 H new ATOM 0 HG CYS A 67 -3.476 -12.947 -6.614 1.00 0.00 H new ATOM 1144 N PRO A 72 -5.141 -20.658 -3.868 1.00 0.00 N ATOM 1145 CA PRO A 72 -5.602 -20.359 -2.509 1.00 0.00 C ATOM 1146 C PRO A 72 -5.555 -21.581 -1.598 1.00 0.00 C ATOM 1147 O PRO A 72 -5.733 -22.718 -2.036 1.00 0.00 O ATOM 1148 CB PRO A 72 -7.048 -19.903 -2.717 1.00 0.00 C ATOM 1149 CG PRO A 72 -7.471 -20.554 -3.989 1.00 0.00 C ATOM 1150 CD PRO A 72 -6.239 -20.623 -4.848 1.00 0.00 C ATOM 0 HA PRO A 72 -4.972 -19.616 -2.020 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -7.683 -20.209 -1.886 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -7.115 -18.817 -2.787 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -7.873 -21.550 -3.803 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -8.257 -19.979 -4.479 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -6.240 -21.510 -5.482 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -6.161 -19.759 -5.508 1.00 0.00 H new ATOM 1158 N PRO A 73 -5.311 -21.344 -0.301 1.00 0.00 N ATOM 1159 CA PRO A 73 -5.236 -22.414 0.699 1.00 0.00 C ATOM 1160 C PRO A 73 -6.595 -23.050 0.970 1.00 0.00 C ATOM 1161 O PRO A 73 -7.576 -22.751 0.290 1.00 0.00 O ATOM 1162 CB PRO A 73 -4.723 -21.696 1.949 1.00 0.00 C ATOM 1163 CG PRO A 73 -5.142 -20.277 1.770 1.00 0.00 C ATOM 1164 CD PRO A 73 -5.090 -20.014 0.291 1.00 0.00 C ATOM 0 HA PRO A 73 -4.598 -23.235 0.371 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -5.152 -22.124 2.855 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -3.640 -21.781 2.038 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -6.147 -20.114 2.160 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -4.477 -19.603 2.310 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -5.857 -19.304 -0.018 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -4.129 -19.595 -0.009 1.00 0.00 H new ATOM 1172 N GLU A 74 -6.644 -23.928 1.967 1.00 0.00 N ATOM 1173 CA GLU A 74 -7.884 -24.606 2.326 1.00 0.00 C ATOM 1174 C GLU A 74 -8.805 -23.676 3.111 1.00 0.00 C ATOM 1175 O GLU A 74 -8.428 -23.147 4.155 1.00 0.00 O ATOM 1176 CB GLU A 74 -7.585 -25.860 3.151 1.00 0.00 C ATOM 1177 CG GLU A 74 -8.817 -26.697 3.454 1.00 0.00 C ATOM 1178 CD GLU A 74 -9.883 -25.917 4.198 1.00 0.00 C ATOM 1179 OE1 GLU A 74 -9.574 -25.370 5.278 1.00 0.00 O ATOM 1180 OE2 GLU A 74 -11.026 -25.853 3.700 1.00 0.00 O ATOM 0 H GLU A 74 -5.840 -24.186 2.540 1.00 0.00 H new ATOM 0 HA GLU A 74 -8.389 -24.897 1.405 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -6.862 -26.474 2.614 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -7.117 -25.564 4.090 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -9.234 -27.075 2.520 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -8.526 -27.564 4.047 1.00 0.00 H new ATOM 1187 N GLY A 75 -10.016 -23.482 2.598 1.00 0.00 N ATOM 1188 CA GLY A 75 -10.973 -22.615 3.262 1.00 0.00 C ATOM 1189 C GLY A 75 -11.051 -21.242 2.624 1.00 0.00 C ATOM 1190 O GLY A 75 -12.119 -20.632 2.579 1.00 0.00 O ATOM 0 H GLY A 75 -10.352 -23.909 1.735 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -11.958 -23.080 3.237 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -10.696 -22.510 4.311 1.00 0.00 H new ATOM 1194 N ARG A 76 -9.917 -20.755 2.132 1.00 0.00 N ATOM 1195 CA ARG A 76 -9.861 -19.443 1.497 1.00 0.00 C ATOM 1196 C ARG A 76 -10.583 -19.459 0.153 1.00 0.00 C ATOM 1197 O ARG A 76 -11.157 -20.474 -0.243 1.00 0.00 O ATOM 1198 CB ARG A 76 -8.408 -19.009 1.302 1.00 0.00 C ATOM 1199 CG ARG A 76 -7.779 -18.410 2.549 1.00 0.00 C ATOM 1200 CD ARG A 76 -7.916 -19.340 3.744 1.00 0.00 C ATOM 1201 NE ARG A 76 -6.808 -19.192 4.684 1.00 0.00 N ATOM 1202 CZ ARG A 76 -6.541 -20.064 5.650 1.00 0.00 C ATOM 1203 NH1 ARG A 76 -7.299 -21.142 5.802 1.00 0.00 N ATOM 1204 NH2 ARG A 76 -5.514 -19.860 6.465 1.00 0.00 N ATOM 0 H ARG A 76 -9.025 -21.248 2.161 1.00 0.00 H new ATOM 0 HA ARG A 76 -10.362 -18.729 2.151 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -7.820 -19.871 0.986 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -8.361 -18.278 0.495 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -6.724 -18.207 2.364 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -8.253 -17.455 2.774 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -8.856 -19.135 4.257 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -7.961 -20.372 3.397 1.00 0.00 H new ATOM 0 HE ARG A 76 -6.206 -18.374 4.594 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -8.089 -21.303 5.177 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -7.092 -21.810 6.544 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -4.928 -19.033 6.350 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -5.310 -20.530 7.206 1.00 0.00 H new ATOM 1218 N SER A 77 -10.551 -18.328 -0.544 1.00 0.00 N ATOM 1219 CA SER A 77 -11.206 -18.210 -1.842 1.00 0.00 C ATOM 1220 C SER A 77 -10.244 -17.653 -2.887 1.00 0.00 C ATOM 1221 O SER A 77 -9.302 -16.932 -2.557 1.00 0.00 O ATOM 1222 CB SER A 77 -12.438 -17.310 -1.735 1.00 0.00 C ATOM 1223 OG SER A 77 -13.202 -17.625 -0.583 1.00 0.00 O ATOM 0 H SER A 77 -10.078 -17.480 -0.232 1.00 0.00 H new ATOM 0 HA SER A 77 -11.519 -19.206 -2.156 1.00 0.00 H new ATOM 0 HB2 SER A 77 -12.127 -16.266 -1.695 1.00 0.00 H new ATOM 0 HB3 SER A 77 -13.055 -17.425 -2.627 1.00 0.00 H new ATOM 0 HG SER A 77 -13.983 -17.035 -0.537 1.00 0.00 H new ATOM 1229 N ARG A 78 -10.489 -17.993 -4.148 1.00 0.00 N ATOM 1230 CA ARG A 78 -9.645 -17.528 -5.242 1.00 0.00 C ATOM 1231 C ARG A 78 -9.668 -16.005 -5.338 1.00 0.00 C ATOM 1232 O ARG A 78 -8.622 -15.357 -5.329 1.00 0.00 O ATOM 1233 CB ARG A 78 -10.106 -18.140 -6.566 1.00 0.00 C ATOM 1234 CG ARG A 78 -9.467 -19.485 -6.871 1.00 0.00 C ATOM 1235 CD ARG A 78 -9.488 -19.787 -8.361 1.00 0.00 C ATOM 1236 NE ARG A 78 -10.796 -20.263 -8.804 1.00 0.00 N ATOM 1237 CZ ARG A 78 -11.061 -20.626 -10.054 1.00 0.00 C ATOM 1238 NH1 ARG A 78 -10.114 -20.568 -10.980 1.00 0.00 N ATOM 1239 NH2 ARG A 78 -12.276 -21.048 -10.380 1.00 0.00 N ATOM 0 H ARG A 78 -11.265 -18.589 -4.437 1.00 0.00 H new ATOM 0 HA ARG A 78 -8.623 -17.846 -5.039 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -11.189 -18.259 -6.544 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -9.878 -17.447 -7.376 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -8.438 -19.490 -6.512 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -9.996 -20.271 -6.332 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -9.222 -18.888 -8.917 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -8.732 -20.538 -8.589 1.00 0.00 H new ATOM 0 HE ARG A 78 -11.547 -20.320 -8.116 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -9.179 -20.244 -10.733 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -10.321 -20.847 -11.939 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -13.007 -21.094 -9.671 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -12.479 -21.327 -11.340 1.00 0.00 H new ATOM 1253 N ASP A 79 -10.868 -15.442 -5.430 1.00 0.00 N ATOM 1254 CA ASP A 79 -11.028 -13.996 -5.528 1.00 0.00 C ATOM 1255 C ASP A 79 -10.162 -13.283 -4.494 1.00 0.00 C ATOM 1256 O ASP A 79 -9.854 -12.100 -4.636 1.00 0.00 O ATOM 1257 CB ASP A 79 -12.495 -13.610 -5.336 1.00 0.00 C ATOM 1258 CG ASP A 79 -13.263 -13.585 -6.643 1.00 0.00 C ATOM 1259 OD1 ASP A 79 -13.078 -12.625 -7.420 1.00 0.00 O ATOM 1260 OD2 ASP A 79 -14.049 -14.524 -6.888 1.00 0.00 O ATOM 0 H ASP A 79 -11.744 -15.965 -5.439 1.00 0.00 H new ATOM 0 HA ASP A 79 -10.706 -13.686 -6.522 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -12.967 -14.317 -4.654 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -12.551 -12.628 -4.866 1.00 0.00 H new ATOM 1265 N GLY A 80 -9.773 -14.010 -3.451 1.00 0.00 N ATOM 1266 CA GLY A 80 -8.948 -13.430 -2.408 1.00 0.00 C ATOM 1267 C GLY A 80 -7.510 -13.237 -2.846 1.00 0.00 C ATOM 1268 O GLY A 80 -6.878 -12.237 -2.503 1.00 0.00 O ATOM 0 H GLY A 80 -10.015 -14.991 -3.310 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -9.366 -12.468 -2.111 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -8.973 -14.074 -1.529 1.00 0.00 H new ATOM 1272 N LEU A 81 -6.991 -14.195 -3.606 1.00 0.00 N ATOM 1273 CA LEU A 81 -5.617 -14.127 -4.091 1.00 0.00 C ATOM 1274 C LEU A 81 -5.241 -12.696 -4.462 1.00 0.00 C ATOM 1275 O LEU A 81 -6.059 -11.946 -4.997 1.00 0.00 O ATOM 1276 CB LEU A 81 -5.437 -15.044 -5.302 1.00 0.00 C ATOM 1277 CG LEU A 81 -5.008 -16.480 -4.999 1.00 0.00 C ATOM 1278 CD1 LEU A 81 -5.817 -17.045 -3.842 1.00 0.00 C ATOM 1279 CD2 LEU A 81 -5.160 -17.354 -6.236 1.00 0.00 C ATOM 0 H LEU A 81 -7.501 -15.028 -3.900 1.00 0.00 H new ATOM 0 HA LEU A 81 -4.958 -14.460 -3.289 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -6.378 -15.075 -5.852 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -4.696 -14.597 -5.964 1.00 0.00 H new ATOM 0 HG LEU A 81 -3.957 -16.472 -4.711 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -5.498 -18.068 -3.640 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -5.658 -16.433 -2.954 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -6.876 -17.039 -4.101 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -4.850 -18.373 -6.002 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -6.202 -17.356 -6.554 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.536 -16.960 -7.039 1.00 0.00 H new ATOM 1291 N LEU A 82 -3.998 -12.323 -4.176 1.00 0.00 N ATOM 1292 CA LEU A 82 -3.512 -10.982 -4.481 1.00 0.00 C ATOM 1293 C LEU A 82 -1.992 -10.968 -4.601 1.00 0.00 C ATOM 1294 O LEU A 82 -1.278 -11.224 -3.630 1.00 0.00 O ATOM 1295 CB LEU A 82 -3.959 -9.998 -3.399 1.00 0.00 C ATOM 1296 CG LEU A 82 -3.197 -8.673 -3.341 1.00 0.00 C ATOM 1297 CD1 LEU A 82 -3.746 -7.697 -4.369 1.00 0.00 C ATOM 1298 CD2 LEU A 82 -3.271 -8.076 -1.943 1.00 0.00 C ATOM 0 H LEU A 82 -3.309 -12.931 -3.733 1.00 0.00 H new ATOM 0 HA LEU A 82 -3.936 -10.677 -5.438 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -5.016 -9.780 -3.549 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -3.869 -10.489 -2.430 1.00 0.00 H new ATOM 0 HG LEU A 82 -2.151 -8.867 -3.577 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -3.192 -6.760 -4.313 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -3.640 -8.122 -5.367 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -4.800 -7.508 -4.165 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -2.723 -7.134 -1.920 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -4.313 -7.897 -1.679 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -2.829 -8.770 -1.227 1.00 0.00 H new ATOM 1310 N THR A 83 -1.500 -10.666 -5.799 1.00 0.00 N ATOM 1311 CA THR A 83 -0.065 -10.617 -6.046 1.00 0.00 C ATOM 1312 C THR A 83 0.379 -9.212 -6.435 1.00 0.00 C ATOM 1313 O THR A 83 0.008 -8.703 -7.493 1.00 0.00 O ATOM 1314 CB THR A 83 0.347 -11.600 -7.158 1.00 0.00 C ATOM 1315 OG1 THR A 83 -0.192 -12.899 -6.889 1.00 0.00 O ATOM 1316 CG2 THR A 83 1.862 -11.687 -7.270 1.00 0.00 C ATOM 0 H THR A 83 -2.075 -10.452 -6.613 1.00 0.00 H new ATOM 0 HA THR A 83 0.426 -10.905 -5.116 1.00 0.00 H new ATOM 0 HB THR A 83 -0.051 -11.231 -8.103 1.00 0.00 H new ATOM 0 HG1 THR A 83 -1.125 -12.934 -7.187 1.00 0.00 H new ATOM 0 HG21 THR A 83 2.129 -12.387 -8.062 1.00 0.00 H new ATOM 0 HG22 THR A 83 2.267 -10.702 -7.505 1.00 0.00 H new ATOM 0 HG23 THR A 83 2.277 -12.034 -6.324 1.00 0.00 H new ATOM 1324 N VAL A 84 1.176 -8.588 -5.573 1.00 0.00 N ATOM 1325 CA VAL A 84 1.672 -7.241 -5.828 1.00 0.00 C ATOM 1326 C VAL A 84 3.090 -7.274 -6.389 1.00 0.00 C ATOM 1327 O VAL A 84 3.996 -7.841 -5.780 1.00 0.00 O ATOM 1328 CB VAL A 84 1.659 -6.386 -4.547 1.00 0.00 C ATOM 1329 CG1 VAL A 84 2.256 -5.013 -4.815 1.00 0.00 C ATOM 1330 CG2 VAL A 84 0.243 -6.263 -4.004 1.00 0.00 C ATOM 0 H VAL A 84 1.492 -8.994 -4.692 1.00 0.00 H new ATOM 0 HA VAL A 84 1.004 -6.792 -6.563 1.00 0.00 H new ATOM 0 HB VAL A 84 2.272 -6.882 -3.794 1.00 0.00 H new ATOM 0 HG11 VAL A 84 2.238 -4.423 -3.898 1.00 0.00 H new ATOM 0 HG12 VAL A 84 3.286 -5.124 -5.155 1.00 0.00 H new ATOM 0 HG13 VAL A 84 1.673 -4.506 -5.584 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.252 -5.656 -3.099 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -0.394 -5.790 -4.752 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -0.145 -7.255 -3.772 1.00 0.00 H new ATOM 1340 N ASN A 85 3.274 -6.662 -7.554 1.00 0.00 N ATOM 1341 CA ASN A 85 4.582 -6.621 -8.198 1.00 0.00 C ATOM 1342 C ASN A 85 5.401 -5.439 -7.690 1.00 0.00 C ATOM 1343 O ASN A 85 4.877 -4.340 -7.503 1.00 0.00 O ATOM 1344 CB ASN A 85 4.423 -6.532 -9.717 1.00 0.00 C ATOM 1345 CG ASN A 85 4.361 -7.897 -10.373 1.00 0.00 C ATOM 1346 OD1 ASN A 85 5.278 -8.295 -11.092 1.00 0.00 O ATOM 1347 ND2 ASN A 85 3.276 -8.622 -10.129 1.00 0.00 N ATOM 0 H ASN A 85 2.534 -6.188 -8.072 1.00 0.00 H new ATOM 0 HA ASN A 85 5.112 -7.540 -7.949 1.00 0.00 H new ATOM 0 HB2 ASN A 85 3.515 -5.977 -9.953 1.00 0.00 H new ATOM 0 HB3 ASN A 85 5.258 -5.969 -10.134 1.00 0.00 H new ATOM 0 HD21 ASN A 85 3.178 -9.549 -10.544 1.00 0.00 H new ATOM 0 HD22 ASN A 85 2.540 -8.252 -9.527 1.00 0.00 H new ATOM 1354 N LEU A 86 6.691 -5.671 -7.470 1.00 0.00 N ATOM 1355 CA LEU A 86 7.584 -4.625 -6.984 1.00 0.00 C ATOM 1356 C LEU A 86 8.703 -4.357 -7.986 1.00 0.00 C ATOM 1357 O LEU A 86 9.206 -5.277 -8.631 1.00 0.00 O ATOM 1358 CB LEU A 86 8.179 -5.022 -5.632 1.00 0.00 C ATOM 1359 CG LEU A 86 7.175 -5.293 -4.511 1.00 0.00 C ATOM 1360 CD1 LEU A 86 7.884 -5.835 -3.279 1.00 0.00 C ATOM 1361 CD2 LEU A 86 6.402 -4.027 -4.170 1.00 0.00 C ATOM 0 H LEU A 86 7.141 -6.574 -7.620 1.00 0.00 H new ATOM 0 HA LEU A 86 7.002 -3.711 -6.863 1.00 0.00 H new ATOM 0 HB2 LEU A 86 8.786 -5.916 -5.773 1.00 0.00 H new ATOM 0 HB3 LEU A 86 8.852 -4.228 -5.306 1.00 0.00 H new ATOM 0 HG LEU A 86 6.466 -6.045 -4.858 1.00 0.00 H new ATOM 0 HD11 LEU A 86 7.154 -6.022 -2.492 1.00 0.00 H new ATOM 0 HD12 LEU A 86 8.392 -6.766 -3.531 1.00 0.00 H new ATOM 0 HD13 LEU A 86 8.615 -5.106 -2.930 1.00 0.00 H new ATOM 0 HD21 LEU A 86 5.692 -4.238 -3.370 1.00 0.00 H new ATOM 0 HD22 LEU A 86 7.097 -3.253 -3.843 1.00 0.00 H new ATOM 0 HD23 LEU A 86 5.863 -3.681 -5.052 1.00 0.00 H new ATOM 1373 N ARG A 87 9.090 -3.092 -8.108 1.00 0.00 N ATOM 1374 CA ARG A 87 10.150 -2.702 -9.030 1.00 0.00 C ATOM 1375 C ARG A 87 11.415 -3.519 -8.780 1.00 0.00 C ATOM 1376 O ARG A 87 12.048 -4.002 -9.718 1.00 0.00 O ATOM 1377 CB ARG A 87 10.458 -1.211 -8.887 1.00 0.00 C ATOM 1378 CG ARG A 87 9.375 -0.309 -9.456 1.00 0.00 C ATOM 1379 CD ARG A 87 9.413 -0.282 -10.976 1.00 0.00 C ATOM 1380 NE ARG A 87 10.672 0.259 -11.482 1.00 0.00 N ATOM 1381 CZ ARG A 87 10.826 0.734 -12.713 1.00 0.00 C ATOM 1382 NH1 ARG A 87 9.806 0.735 -13.559 1.00 0.00 N ATOM 1383 NH2 ARG A 87 12.003 1.210 -13.099 1.00 0.00 N ATOM 0 H ARG A 87 8.685 -2.319 -7.580 1.00 0.00 H new ATOM 0 HA ARG A 87 9.804 -2.899 -10.045 1.00 0.00 H new ATOM 0 HB2 ARG A 87 10.597 -0.977 -7.832 1.00 0.00 H new ATOM 0 HB3 ARG A 87 11.401 -0.994 -9.389 1.00 0.00 H new ATOM 0 HG2 ARG A 87 8.398 -0.657 -9.122 1.00 0.00 H new ATOM 0 HG3 ARG A 87 9.502 0.702 -9.070 1.00 0.00 H new ATOM 0 HD2 ARG A 87 9.272 -1.292 -11.360 1.00 0.00 H new ATOM 0 HD3 ARG A 87 8.584 0.319 -11.349 1.00 0.00 H new ATOM 0 HE ARG A 87 11.477 0.273 -10.856 1.00 0.00 H new ATOM 0 HH11 ARG A 87 8.900 0.370 -13.266 1.00 0.00 H new ATOM 0 HH12 ARG A 87 9.927 1.100 -14.504 1.00 0.00 H new ATOM 0 HH21 ARG A 87 12.790 1.211 -12.450 1.00 0.00 H new ATOM 0 HH22 ARG A 87 12.121 1.575 -14.044 1.00 0.00 H new ATOM 1397 N GLU A 88 11.775 -3.669 -7.509 1.00 0.00 N ATOM 1398 CA GLU A 88 12.964 -4.426 -7.137 1.00 0.00 C ATOM 1399 C GLU A 88 13.054 -5.725 -7.934 1.00 0.00 C ATOM 1400 O GLU A 88 14.144 -6.228 -8.202 1.00 0.00 O ATOM 1401 CB GLU A 88 12.952 -4.734 -5.639 1.00 0.00 C ATOM 1402 CG GLU A 88 11.759 -5.565 -5.198 1.00 0.00 C ATOM 1403 CD GLU A 88 11.838 -5.971 -3.738 1.00 0.00 C ATOM 1404 OE1 GLU A 88 11.702 -5.086 -2.868 1.00 0.00 O ATOM 1405 OE2 GLU A 88 12.036 -7.174 -3.467 1.00 0.00 O ATOM 0 H GLU A 88 11.261 -3.277 -6.720 1.00 0.00 H new ATOM 0 HA GLU A 88 13.838 -3.817 -7.368 1.00 0.00 H new ATOM 0 HB2 GLU A 88 13.869 -5.263 -5.378 1.00 0.00 H new ATOM 0 HB3 GLU A 88 12.956 -3.796 -5.084 1.00 0.00 H new ATOM 0 HG2 GLU A 88 10.844 -4.997 -5.364 1.00 0.00 H new ATOM 0 HG3 GLU A 88 11.695 -6.460 -5.817 1.00 0.00 H new ATOM 1412 N GLY A 89 11.897 -6.263 -8.308 1.00 0.00 N ATOM 1413 CA GLY A 89 11.866 -7.499 -9.069 1.00 0.00 C ATOM 1414 C GLY A 89 11.394 -8.678 -8.241 1.00 0.00 C ATOM 1415 O GLY A 89 11.852 -9.804 -8.434 1.00 0.00 O ATOM 0 H GLY A 89 10.981 -5.866 -8.098 1.00 0.00 H new ATOM 0 HA2 GLY A 89 11.208 -7.376 -9.929 1.00 0.00 H new ATOM 0 HA3 GLY A 89 12.863 -7.708 -9.458 1.00 0.00 H new ATOM 1419 N SER A 90 10.476 -8.419 -7.315 1.00 0.00 N ATOM 1420 CA SER A 90 9.946 -9.467 -6.451 1.00 0.00 C ATOM 1421 C SER A 90 8.507 -9.161 -6.046 1.00 0.00 C ATOM 1422 O SER A 90 8.254 -8.267 -5.239 1.00 0.00 O ATOM 1423 CB SER A 90 10.818 -9.617 -5.202 1.00 0.00 C ATOM 1424 OG SER A 90 11.914 -10.481 -5.447 1.00 0.00 O ATOM 0 H SER A 90 10.084 -7.493 -7.144 1.00 0.00 H new ATOM 0 HA SER A 90 9.957 -10.404 -7.008 1.00 0.00 H new ATOM 0 HB2 SER A 90 11.184 -8.639 -4.891 1.00 0.00 H new ATOM 0 HB3 SER A 90 10.218 -10.009 -4.381 1.00 0.00 H new ATOM 0 HG SER A 90 12.134 -10.467 -6.402 1.00 0.00 H new ATOM 1430 N ARG A 91 7.568 -9.911 -6.614 1.00 0.00 N ATOM 1431 CA ARG A 91 6.154 -9.720 -6.314 1.00 0.00 C ATOM 1432 C ARG A 91 5.843 -10.124 -4.876 1.00 0.00 C ATOM 1433 O ARG A 91 6.714 -10.616 -4.156 1.00 0.00 O ATOM 1434 CB ARG A 91 5.291 -10.534 -7.281 1.00 0.00 C ATOM 1435 CG ARG A 91 5.097 -11.980 -6.853 1.00 0.00 C ATOM 1436 CD ARG A 91 6.378 -12.784 -7.006 1.00 0.00 C ATOM 1437 NE ARG A 91 6.840 -12.821 -8.391 1.00 0.00 N ATOM 1438 CZ ARG A 91 8.046 -13.243 -8.753 1.00 0.00 C ATOM 1439 NH1 ARG A 91 8.907 -13.663 -7.837 1.00 0.00 N ATOM 1440 NH2 ARG A 91 8.392 -13.247 -10.034 1.00 0.00 N ATOM 0 H ARG A 91 7.761 -10.656 -7.284 1.00 0.00 H new ATOM 0 HA ARG A 91 5.923 -8.661 -6.434 1.00 0.00 H new ATOM 0 HB2 ARG A 91 4.315 -10.057 -7.374 1.00 0.00 H new ATOM 0 HB3 ARG A 91 5.750 -10.515 -8.269 1.00 0.00 H new ATOM 0 HG2 ARG A 91 4.768 -12.012 -5.814 1.00 0.00 H new ATOM 0 HG3 ARG A 91 4.307 -12.435 -7.451 1.00 0.00 H new ATOM 0 HD2 ARG A 91 7.155 -12.351 -6.376 1.00 0.00 H new ATOM 0 HD3 ARG A 91 6.212 -13.801 -6.652 1.00 0.00 H new ATOM 0 HE ARG A 91 6.201 -12.505 -9.121 1.00 0.00 H new ATOM 0 HH11 ARG A 91 8.644 -13.663 -6.852 1.00 0.00 H new ATOM 0 HH12 ARG A 91 9.833 -13.987 -8.118 1.00 0.00 H new ATOM 0 HH21 ARG A 91 7.731 -12.926 -10.742 1.00 0.00 H new ATOM 0 HH22 ARG A 91 9.319 -13.571 -10.311 1.00 0.00 H new ATOM 1454 N LEU A 92 4.599 -9.912 -4.463 1.00 0.00 N ATOM 1455 CA LEU A 92 4.173 -10.253 -3.110 1.00 0.00 C ATOM 1456 C LEU A 92 2.921 -11.123 -3.136 1.00 0.00 C ATOM 1457 O LEU A 92 1.828 -10.649 -3.448 1.00 0.00 O ATOM 1458 CB LEU A 92 3.907 -8.981 -2.302 1.00 0.00 C ATOM 1459 CG LEU A 92 5.101 -8.413 -1.533 1.00 0.00 C ATOM 1460 CD1 LEU A 92 4.861 -6.953 -1.179 1.00 0.00 C ATOM 1461 CD2 LEU A 92 5.365 -9.231 -0.278 1.00 0.00 C ATOM 0 H LEU A 92 3.867 -9.505 -5.045 1.00 0.00 H new ATOM 0 HA LEU A 92 4.975 -10.817 -2.635 1.00 0.00 H new ATOM 0 HB2 LEU A 92 3.539 -8.213 -2.982 1.00 0.00 H new ATOM 0 HB3 LEU A 92 3.107 -9.187 -1.591 1.00 0.00 H new ATOM 0 HG LEU A 92 5.982 -8.471 -2.172 1.00 0.00 H new ATOM 0 HD11 LEU A 92 5.720 -6.565 -0.632 1.00 0.00 H new ATOM 0 HD12 LEU A 92 4.721 -6.375 -2.093 1.00 0.00 H new ATOM 0 HD13 LEU A 92 3.969 -6.871 -0.558 1.00 0.00 H new ATOM 0 HD21 LEU A 92 6.218 -8.812 0.256 1.00 0.00 H new ATOM 0 HD22 LEU A 92 4.485 -9.205 0.365 1.00 0.00 H new ATOM 0 HD23 LEU A 92 5.581 -10.263 -0.555 1.00 0.00 H new ATOM 1473 N HIS A 93 3.087 -12.400 -2.805 1.00 0.00 N ATOM 1474 CA HIS A 93 1.969 -13.337 -2.787 1.00 0.00 C ATOM 1475 C HIS A 93 1.126 -13.154 -1.529 1.00 0.00 C ATOM 1476 O HIS A 93 1.636 -13.237 -0.410 1.00 0.00 O ATOM 1477 CB HIS A 93 2.481 -14.775 -2.868 1.00 0.00 C ATOM 1478 CG HIS A 93 2.808 -15.217 -4.261 1.00 0.00 C ATOM 1479 ND1 HIS A 93 4.074 -15.601 -4.651 1.00 0.00 N ATOM 1480 CD2 HIS A 93 2.025 -15.336 -5.359 1.00 0.00 C ATOM 1481 CE1 HIS A 93 4.056 -15.936 -5.929 1.00 0.00 C ATOM 1482 NE2 HIS A 93 2.824 -15.785 -6.382 1.00 0.00 N ATOM 0 H HIS A 93 3.985 -12.809 -2.546 1.00 0.00 H new ATOM 0 HA HIS A 93 1.342 -13.133 -3.655 1.00 0.00 H new ATOM 0 HB2 HIS A 93 3.372 -14.870 -2.247 1.00 0.00 H new ATOM 0 HB3 HIS A 93 1.728 -15.444 -2.451 1.00 0.00 H new ATOM 0 HD2 HIS A 93 0.969 -15.118 -5.419 1.00 0.00 H new ATOM 0 HE1 HIS A 93 4.904 -16.275 -6.505 1.00 0.00 H new ATOM 0 HE2 HIS A 93 2.516 -15.972 -7.336 1.00 0.00 H new ATOM 1491 N LEU A 94 -0.165 -12.904 -1.718 1.00 0.00 N ATOM 1492 CA LEU A 94 -1.078 -12.709 -0.598 1.00 0.00 C ATOM 1493 C LEU A 94 -2.470 -13.238 -0.932 1.00 0.00 C ATOM 1494 O LEU A 94 -2.731 -13.656 -2.060 1.00 0.00 O ATOM 1495 CB LEU A 94 -1.158 -11.226 -0.232 1.00 0.00 C ATOM 1496 CG LEU A 94 0.161 -10.558 0.155 1.00 0.00 C ATOM 1497 CD1 LEU A 94 0.016 -9.044 0.148 1.00 0.00 C ATOM 1498 CD2 LEU A 94 0.624 -11.044 1.521 1.00 0.00 C ATOM 0 H LEU A 94 -0.603 -12.832 -2.636 1.00 0.00 H new ATOM 0 HA LEU A 94 -0.692 -13.267 0.255 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -1.581 -10.686 -1.079 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -1.856 -11.114 0.598 1.00 0.00 H new ATOM 0 HG LEU A 94 0.915 -10.834 -0.582 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.965 -8.586 0.426 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.269 -8.710 -0.850 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.752 -8.749 0.863 1.00 0.00 H new ATOM 0 HD21 LEU A 94 1.565 -10.558 1.780 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -0.130 -10.799 2.269 1.00 0.00 H new ATOM 0 HD23 LEU A 94 0.769 -12.124 1.493 1.00 0.00 H new ATOM 1510 N CYS A 95 -3.358 -13.214 0.056 1.00 0.00 N ATOM 1511 CA CYS A 95 -4.724 -13.690 -0.133 1.00 0.00 C ATOM 1512 C CYS A 95 -5.668 -13.048 0.878 1.00 0.00 C ATOM 1513 O CYS A 95 -5.549 -13.271 2.082 1.00 0.00 O ATOM 1514 CB CYS A 95 -4.778 -15.213 -0.004 1.00 0.00 C ATOM 1515 SG CYS A 95 -6.421 -15.919 -0.269 1.00 0.00 S ATOM 0 H CYS A 95 -3.157 -12.870 0.995 1.00 0.00 H new ATOM 0 HA CYS A 95 -5.046 -13.406 -1.135 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -4.086 -15.652 -0.722 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -4.429 -15.495 0.989 1.00 0.00 H new ATOM 0 HG CYS A 95 -6.364 -17.211 -0.141 1.00 0.00 H new ATOM 1521 N ALA A 96 -6.606 -12.249 0.379 1.00 0.00 N ATOM 1522 CA ALA A 96 -7.571 -11.575 1.239 1.00 0.00 C ATOM 1523 C ALA A 96 -8.788 -12.457 1.496 1.00 0.00 C ATOM 1524 O ALA A 96 -9.151 -13.287 0.663 1.00 0.00 O ATOM 1525 CB ALA A 96 -7.997 -10.253 0.618 1.00 0.00 C ATOM 0 H ALA A 96 -6.718 -12.053 -0.616 1.00 0.00 H new ATOM 0 HA ALA A 96 -7.090 -11.377 2.197 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -8.718 -9.760 1.270 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -7.124 -9.612 0.492 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -8.455 -10.438 -0.354 1.00 0.00 H new ATOM 1531 N GLU A 97 -9.412 -12.274 2.655 1.00 0.00 N ATOM 1532 CA GLU A 97 -10.587 -13.055 3.021 1.00 0.00 C ATOM 1533 C GLU A 97 -11.648 -12.988 1.927 1.00 0.00 C ATOM 1534 O GLU A 97 -12.035 -14.010 1.357 1.00 0.00 O ATOM 1535 CB GLU A 97 -11.171 -12.552 4.343 1.00 0.00 C ATOM 1536 CG GLU A 97 -10.265 -12.793 5.539 1.00 0.00 C ATOM 1537 CD GLU A 97 -10.760 -12.101 6.795 1.00 0.00 C ATOM 1538 OE1 GLU A 97 -11.990 -11.951 6.945 1.00 0.00 O ATOM 1539 OE2 GLU A 97 -9.915 -11.709 7.627 1.00 0.00 O ATOM 0 H GLU A 97 -9.123 -11.592 3.356 1.00 0.00 H new ATOM 0 HA GLU A 97 -10.277 -14.093 3.140 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -11.371 -11.484 4.259 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -12.128 -13.043 4.518 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -10.191 -13.865 5.724 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -9.260 -12.440 5.306 1.00 0.00 H new ATOM 1546 N THR A 98 -12.116 -11.778 1.636 1.00 0.00 N ATOM 1547 CA THR A 98 -13.132 -11.577 0.612 1.00 0.00 C ATOM 1548 C THR A 98 -12.573 -10.796 -0.572 1.00 0.00 C ATOM 1549 O THR A 98 -11.413 -10.385 -0.564 1.00 0.00 O ATOM 1550 CB THR A 98 -14.355 -10.828 1.174 1.00 0.00 C ATOM 1551 OG1 THR A 98 -13.942 -9.596 1.775 1.00 0.00 O ATOM 1552 CG2 THR A 98 -15.086 -11.679 2.201 1.00 0.00 C ATOM 0 H THR A 98 -11.807 -10.922 2.096 1.00 0.00 H new ATOM 0 HA THR A 98 -13.443 -12.567 0.277 1.00 0.00 H new ATOM 0 HB THR A 98 -15.035 -10.619 0.349 1.00 0.00 H new ATOM 0 HG1 THR A 98 -14.726 -9.125 2.128 1.00 0.00 H new ATOM 0 HG21 THR A 98 -15.946 -11.129 2.584 1.00 0.00 H new ATOM 0 HG22 THR A 98 -15.425 -12.603 1.733 1.00 0.00 H new ATOM 0 HG23 THR A 98 -14.411 -11.916 3.024 1.00 0.00 H new ATOM 1560 N ARG A 99 -13.405 -10.595 -1.589 1.00 0.00 N ATOM 1561 CA ARG A 99 -12.993 -9.864 -2.781 1.00 0.00 C ATOM 1562 C ARG A 99 -12.849 -8.375 -2.482 1.00 0.00 C ATOM 1563 O ARG A 99 -12.016 -7.690 -3.076 1.00 0.00 O ATOM 1564 CB ARG A 99 -14.004 -10.074 -3.909 1.00 0.00 C ATOM 1565 CG ARG A 99 -15.392 -9.543 -3.589 1.00 0.00 C ATOM 1566 CD ARG A 99 -16.210 -9.327 -4.852 1.00 0.00 C ATOM 1567 NE ARG A 99 -17.433 -8.571 -4.590 1.00 0.00 N ATOM 1568 CZ ARG A 99 -18.328 -8.274 -5.525 1.00 0.00 C ATOM 1569 NH1 ARG A 99 -18.139 -8.666 -6.777 1.00 0.00 N ATOM 1570 NH2 ARG A 99 -19.415 -7.583 -5.208 1.00 0.00 N ATOM 0 H ARG A 99 -14.369 -10.928 -1.611 1.00 0.00 H new ATOM 0 HA ARG A 99 -12.023 -10.249 -3.096 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -13.636 -9.585 -4.811 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -14.074 -11.139 -4.130 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -15.909 -10.245 -2.935 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -15.306 -8.603 -3.044 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -15.607 -8.796 -5.588 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -16.467 -10.293 -5.287 1.00 0.00 H new ATOM 0 HE ARG A 99 -17.609 -8.254 -3.637 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -17.304 -9.197 -7.025 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -18.828 -8.436 -7.493 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -19.564 -7.279 -4.246 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -20.102 -7.355 -5.927 1.00 0.00 H new ATOM 1584 N ASP A 100 -13.666 -7.880 -1.559 1.00 0.00 N ATOM 1585 CA ASP A 100 -13.630 -6.472 -1.181 1.00 0.00 C ATOM 1586 C ASP A 100 -12.269 -6.100 -0.601 1.00 0.00 C ATOM 1587 O ASP A 100 -11.547 -5.276 -1.163 1.00 0.00 O ATOM 1588 CB ASP A 100 -14.732 -6.166 -0.166 1.00 0.00 C ATOM 1589 CG ASP A 100 -16.120 -6.324 -0.753 1.00 0.00 C ATOM 1590 OD1 ASP A 100 -16.256 -6.222 -1.990 1.00 0.00 O ATOM 1591 OD2 ASP A 100 -17.072 -6.549 0.024 1.00 0.00 O ATOM 0 H ASP A 100 -14.362 -8.433 -1.058 1.00 0.00 H new ATOM 0 HA ASP A 100 -13.798 -5.876 -2.078 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -14.626 -6.830 0.692 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -14.610 -5.147 0.202 1.00 0.00 H new ATOM 1596 N ASP A 101 -11.926 -6.711 0.528 1.00 0.00 N ATOM 1597 CA ASP A 101 -10.651 -6.444 1.185 1.00 0.00 C ATOM 1598 C ASP A 101 -9.506 -6.466 0.178 1.00 0.00 C ATOM 1599 O ASP A 101 -8.639 -5.593 0.191 1.00 0.00 O ATOM 1600 CB ASP A 101 -10.397 -7.473 2.288 1.00 0.00 C ATOM 1601 CG ASP A 101 -11.053 -7.090 3.600 1.00 0.00 C ATOM 1602 OD1 ASP A 101 -10.579 -6.130 4.242 1.00 0.00 O ATOM 1603 OD2 ASP A 101 -12.041 -7.750 3.985 1.00 0.00 O ATOM 0 H ASP A 101 -12.513 -7.394 1.007 1.00 0.00 H new ATOM 0 HA ASP A 101 -10.700 -5.450 1.630 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -10.773 -8.445 1.968 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -9.323 -7.581 2.440 1.00 0.00 H new ATOM 1608 N ALA A 102 -9.509 -7.470 -0.693 1.00 0.00 N ATOM 1609 CA ALA A 102 -8.470 -7.605 -1.707 1.00 0.00 C ATOM 1610 C ALA A 102 -8.390 -6.357 -2.579 1.00 0.00 C ATOM 1611 O ALA A 102 -7.315 -5.784 -2.762 1.00 0.00 O ATOM 1612 CB ALA A 102 -8.727 -8.836 -2.564 1.00 0.00 C ATOM 0 H ALA A 102 -10.219 -8.202 -0.717 1.00 0.00 H new ATOM 0 HA ALA A 102 -7.513 -7.723 -1.199 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -7.944 -8.925 -3.317 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -8.727 -9.725 -1.933 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -9.695 -8.741 -3.056 1.00 0.00 H new ATOM 1618 N ILE A 103 -9.532 -5.942 -3.117 1.00 0.00 N ATOM 1619 CA ILE A 103 -9.589 -4.761 -3.970 1.00 0.00 C ATOM 1620 C ILE A 103 -9.104 -3.522 -3.226 1.00 0.00 C ATOM 1621 O ILE A 103 -8.382 -2.695 -3.782 1.00 0.00 O ATOM 1622 CB ILE A 103 -11.018 -4.510 -4.487 1.00 0.00 C ATOM 1623 CG1 ILE A 103 -11.486 -5.684 -5.348 1.00 0.00 C ATOM 1624 CG2 ILE A 103 -11.074 -3.211 -5.277 1.00 0.00 C ATOM 1625 CD1 ILE A 103 -12.991 -5.794 -5.454 1.00 0.00 C ATOM 0 H ILE A 103 -10.430 -6.406 -2.977 1.00 0.00 H new ATOM 0 HA ILE A 103 -8.932 -4.952 -4.819 1.00 0.00 H new ATOM 0 HB ILE A 103 -11.688 -4.422 -3.632 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -11.066 -5.580 -6.349 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -11.091 -6.610 -4.931 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -12.090 -3.047 -5.636 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -10.778 -2.382 -4.635 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -10.394 -3.272 -6.127 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -13.250 -6.648 -6.079 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -13.417 -5.929 -4.460 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -13.392 -4.884 -5.899 1.00 0.00 H new ATOM 1637 N ALA A 104 -9.505 -3.400 -1.965 1.00 0.00 N ATOM 1638 CA ALA A 104 -9.108 -2.263 -1.143 1.00 0.00 C ATOM 1639 C ALA A 104 -7.609 -2.006 -1.250 1.00 0.00 C ATOM 1640 O ALA A 104 -7.182 -0.894 -1.561 1.00 0.00 O ATOM 1641 CB ALA A 104 -9.504 -2.497 0.307 1.00 0.00 C ATOM 0 H ALA A 104 -10.105 -4.075 -1.490 1.00 0.00 H new ATOM 0 HA ALA A 104 -9.629 -1.379 -1.512 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -9.202 -1.640 0.910 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -10.585 -2.624 0.373 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -9.010 -3.395 0.679 1.00 0.00 H new ATOM 1647 N TRP A 105 -6.816 -3.039 -0.990 1.00 0.00 N ATOM 1648 CA TRP A 105 -5.364 -2.923 -1.057 1.00 0.00 C ATOM 1649 C TRP A 105 -4.912 -2.550 -2.464 1.00 0.00 C ATOM 1650 O TRP A 105 -4.054 -1.685 -2.643 1.00 0.00 O ATOM 1651 CB TRP A 105 -4.707 -4.236 -0.628 1.00 0.00 C ATOM 1652 CG TRP A 105 -4.655 -4.416 0.859 1.00 0.00 C ATOM 1653 CD1 TRP A 105 -5.356 -5.325 1.599 1.00 0.00 C ATOM 1654 CD2 TRP A 105 -3.862 -3.667 1.786 1.00 0.00 C ATOM 1655 NE1 TRP A 105 -5.046 -5.186 2.931 1.00 0.00 N ATOM 1656 CE2 TRP A 105 -4.131 -4.176 3.071 1.00 0.00 C ATOM 1657 CE3 TRP A 105 -2.949 -2.617 1.655 1.00 0.00 C ATOM 1658 CZ2 TRP A 105 -3.520 -3.670 4.215 1.00 0.00 C ATOM 1659 CZ3 TRP A 105 -2.344 -2.115 2.791 1.00 0.00 C ATOM 1660 CH2 TRP A 105 -2.630 -2.642 4.058 1.00 0.00 C ATOM 0 H TRP A 105 -7.154 -3.966 -0.731 1.00 0.00 H new ATOM 0 HA TRP A 105 -5.056 -2.131 -0.375 1.00 0.00 H new ATOM 0 HB2 TRP A 105 -5.255 -5.069 -1.069 1.00 0.00 H new ATOM 0 HB3 TRP A 105 -3.693 -4.274 -1.027 1.00 0.00 H new ATOM 0 HD1 TRP A 105 -6.052 -6.047 1.197 1.00 0.00 H new ATOM 0 HE1 TRP A 105 -5.434 -5.744 3.691 1.00 0.00 H new ATOM 0 HE3 TRP A 105 -2.721 -2.205 0.683 1.00 0.00 H new ATOM 0 HZ2 TRP A 105 -3.740 -4.074 5.192 1.00 0.00 H new ATOM 0 HZ3 TRP A 105 -1.638 -1.302 2.701 1.00 0.00 H new ATOM 0 HH2 TRP A 105 -2.139 -2.229 4.927 1.00 0.00 H new ATOM 1671 N LYS A 106 -5.494 -3.207 -3.462 1.00 0.00 N ATOM 1672 CA LYS A 106 -5.152 -2.943 -4.855 1.00 0.00 C ATOM 1673 C LYS A 106 -5.283 -1.458 -5.175 1.00 0.00 C ATOM 1674 O LYS A 106 -4.397 -0.863 -5.791 1.00 0.00 O ATOM 1675 CB LYS A 106 -6.053 -3.758 -5.785 1.00 0.00 C ATOM 1676 CG LYS A 106 -5.907 -3.388 -7.251 1.00 0.00 C ATOM 1677 CD LYS A 106 -6.241 -4.560 -8.159 1.00 0.00 C ATOM 1678 CE LYS A 106 -5.590 -4.410 -9.525 1.00 0.00 C ATOM 1679 NZ LYS A 106 -6.150 -3.256 -10.282 1.00 0.00 N ATOM 0 H LYS A 106 -6.205 -3.927 -3.332 1.00 0.00 H new ATOM 0 HA LYS A 106 -4.115 -3.240 -5.012 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -5.825 -4.817 -5.662 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -7.092 -3.618 -5.485 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -6.563 -2.549 -7.482 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -4.887 -3.057 -7.444 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -5.906 -5.488 -7.695 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -7.322 -4.634 -8.276 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -4.515 -4.277 -9.403 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -5.734 -5.325 -10.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -5.681 -3.187 -11.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -7.171 -3.395 -10.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -5.990 -2.379 -9.747 1.00 0.00 H new ATOM 1693 N THR A 107 -6.394 -0.861 -4.753 1.00 0.00 N ATOM 1694 CA THR A 107 -6.641 0.554 -4.995 1.00 0.00 C ATOM 1695 C THR A 107 -5.749 1.426 -4.118 1.00 0.00 C ATOM 1696 O THR A 107 -5.177 2.411 -4.583 1.00 0.00 O ATOM 1697 CB THR A 107 -8.114 0.921 -4.733 1.00 0.00 C ATOM 1698 OG1 THR A 107 -8.968 0.164 -5.598 1.00 0.00 O ATOM 1699 CG2 THR A 107 -8.350 2.407 -4.954 1.00 0.00 C ATOM 0 H THR A 107 -7.137 -1.337 -4.242 1.00 0.00 H new ATOM 0 HA THR A 107 -6.409 0.740 -6.044 1.00 0.00 H new ATOM 0 HB THR A 107 -8.345 0.684 -3.695 1.00 0.00 H new ATOM 0 HG1 THR A 107 -9.903 0.401 -5.424 1.00 0.00 H new ATOM 0 HG21 THR A 107 -9.397 2.641 -4.763 1.00 0.00 H new ATOM 0 HG22 THR A 107 -7.720 2.981 -4.274 1.00 0.00 H new ATOM 0 HG23 THR A 107 -8.102 2.666 -5.984 1.00 0.00 H new ATOM 1707 N ALA A 108 -5.635 1.056 -2.846 1.00 0.00 N ATOM 1708 CA ALA A 108 -4.810 1.803 -1.905 1.00 0.00 C ATOM 1709 C ALA A 108 -3.348 1.806 -2.338 1.00 0.00 C ATOM 1710 O ALA A 108 -2.614 2.760 -2.077 1.00 0.00 O ATOM 1711 CB ALA A 108 -4.947 1.221 -0.506 1.00 0.00 C ATOM 0 H ALA A 108 -6.103 0.244 -2.444 1.00 0.00 H new ATOM 0 HA ALA A 108 -5.160 2.835 -1.893 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -4.325 1.789 0.187 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -5.988 1.277 -0.189 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -4.625 0.180 -0.512 1.00 0.00 H new ATOM 1717 N LEU A 109 -2.930 0.732 -2.999 1.00 0.00 N ATOM 1718 CA LEU A 109 -1.554 0.610 -3.468 1.00 0.00 C ATOM 1719 C LEU A 109 -1.377 1.293 -4.821 1.00 0.00 C ATOM 1720 O LEU A 109 -0.510 2.150 -4.985 1.00 0.00 O ATOM 1721 CB LEU A 109 -1.159 -0.864 -3.573 1.00 0.00 C ATOM 1722 CG LEU A 109 -1.049 -1.625 -2.251 1.00 0.00 C ATOM 1723 CD1 LEU A 109 -1.109 -3.125 -2.492 1.00 0.00 C ATOM 1724 CD2 LEU A 109 0.235 -1.250 -1.525 1.00 0.00 C ATOM 0 H LEU A 109 -3.524 -0.067 -3.222 1.00 0.00 H new ATOM 0 HA LEU A 109 -0.905 1.103 -2.745 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -1.891 -1.372 -4.202 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -0.199 -0.927 -4.086 1.00 0.00 H new ATOM 0 HG LEU A 109 -1.894 -1.345 -1.621 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -1.029 -3.650 -1.540 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -2.056 -3.379 -2.968 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -0.285 -3.423 -3.141 1.00 0.00 H new ATOM 0 HD21 LEU A 109 0.297 -1.801 -0.586 1.00 0.00 H new ATOM 0 HD22 LEU A 109 1.093 -1.500 -2.150 1.00 0.00 H new ATOM 0 HD23 LEU A 109 0.237 -0.180 -1.318 1.00 0.00 H new ATOM 1736 N MET A 110 -2.206 0.908 -5.785 1.00 0.00 N ATOM 1737 CA MET A 110 -2.143 1.485 -7.123 1.00 0.00 C ATOM 1738 C MET A 110 -2.064 3.007 -7.054 1.00 0.00 C ATOM 1739 O MET A 110 -1.382 3.638 -7.860 1.00 0.00 O ATOM 1740 CB MET A 110 -3.365 1.063 -7.942 1.00 0.00 C ATOM 1741 CG MET A 110 -3.227 -0.314 -8.572 1.00 0.00 C ATOM 1742 SD MET A 110 -2.392 -0.266 -10.169 1.00 0.00 S ATOM 1743 CE MET A 110 -0.815 -1.005 -9.749 1.00 0.00 C ATOM 0 H MET A 110 -2.929 0.199 -5.665 1.00 0.00 H new ATOM 0 HA MET A 110 -1.242 1.113 -7.611 1.00 0.00 H new ATOM 0 HB2 MET A 110 -4.245 1.073 -7.299 1.00 0.00 H new ATOM 0 HB3 MET A 110 -3.537 1.798 -8.728 1.00 0.00 H new ATOM 0 HG2 MET A 110 -2.673 -0.965 -7.896 1.00 0.00 H new ATOM 0 HG3 MET A 110 -4.217 -0.753 -8.697 1.00 0.00 H new ATOM 0 HE1 MET A 110 -0.011 -0.441 -10.222 1.00 0.00 H new ATOM 0 HE2 MET A 110 -0.682 -0.988 -8.667 1.00 0.00 H new ATOM 0 HE3 MET A 110 -0.791 -2.036 -10.101 1.00 0.00 H new ATOM 1753 N GLU A 111 -2.767 3.589 -6.087 1.00 0.00 N ATOM 1754 CA GLU A 111 -2.776 5.037 -5.916 1.00 0.00 C ATOM 1755 C GLU A 111 -1.414 5.538 -5.444 1.00 0.00 C ATOM 1756 O GLU A 111 -0.707 6.229 -6.177 1.00 0.00 O ATOM 1757 CB GLU A 111 -3.857 5.448 -4.915 1.00 0.00 C ATOM 1758 CG GLU A 111 -5.207 5.724 -5.555 1.00 0.00 C ATOM 1759 CD GLU A 111 -5.262 7.075 -6.241 1.00 0.00 C ATOM 1760 OE1 GLU A 111 -4.776 7.180 -7.387 1.00 0.00 O ATOM 1761 OE2 GLU A 111 -5.792 8.028 -5.632 1.00 0.00 O ATOM 0 H GLU A 111 -3.337 3.080 -5.411 1.00 0.00 H new ATOM 0 HA GLU A 111 -2.995 5.490 -6.883 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -3.971 4.659 -4.172 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -3.527 6.341 -4.383 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -5.427 4.942 -6.282 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -5.983 5.677 -4.791 1.00 0.00 H new ATOM 1768 N ALA A 112 -1.053 5.184 -4.215 1.00 0.00 N ATOM 1769 CA ALA A 112 0.224 5.595 -3.645 1.00 0.00 C ATOM 1770 C ALA A 112 1.363 5.371 -4.633 1.00 0.00 C ATOM 1771 O ALA A 112 2.280 6.185 -4.732 1.00 0.00 O ATOM 1772 CB ALA A 112 0.490 4.843 -2.350 1.00 0.00 C ATOM 0 H ALA A 112 -1.627 4.613 -3.595 1.00 0.00 H new ATOM 0 HA ALA A 112 0.171 6.662 -3.428 1.00 0.00 H new ATOM 0 HB1 ALA A 112 1.447 5.160 -1.935 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -0.304 5.058 -1.635 1.00 0.00 H new ATOM 0 HB3 ALA A 112 0.518 3.772 -2.550 1.00 0.00 H new ATOM 1778 N ASN A 113 1.299 4.262 -5.362 1.00 0.00 N ATOM 1779 CA ASN A 113 2.327 3.930 -6.342 1.00 0.00 C ATOM 1780 C ASN A 113 2.465 5.038 -7.382 1.00 0.00 C ATOM 1781 O ASN A 113 3.571 5.372 -7.805 1.00 0.00 O ATOM 1782 CB ASN A 113 1.995 2.606 -7.032 1.00 0.00 C ATOM 1783 CG ASN A 113 2.542 2.537 -8.445 1.00 0.00 C ATOM 1784 OD1 ASN A 113 3.754 2.573 -8.655 1.00 0.00 O ATOM 1785 ND2 ASN A 113 1.647 2.437 -9.422 1.00 0.00 N ATOM 0 H ASN A 113 0.546 3.578 -5.293 1.00 0.00 H new ATOM 0 HA ASN A 113 3.276 3.829 -5.816 1.00 0.00 H new ATOM 0 HB2 ASN A 113 2.403 1.782 -6.447 1.00 0.00 H new ATOM 0 HB3 ASN A 113 0.913 2.474 -7.057 1.00 0.00 H new ATOM 0 HD21 ASN A 113 1.955 2.387 -10.393 1.00 0.00 H new ATOM 0 HD22 ASN A 113 0.652 2.411 -9.201 1.00 0.00 H new ATOM 1792 N SER A 114 1.333 5.604 -7.789 1.00 0.00 N ATOM 1793 CA SER A 114 1.326 6.672 -8.782 1.00 0.00 C ATOM 1794 C SER A 114 0.762 7.960 -8.190 1.00 0.00 C ATOM 1795 O SER A 114 -0.033 8.653 -8.826 1.00 0.00 O ATOM 1796 CB SER A 114 0.506 6.256 -10.004 1.00 0.00 C ATOM 1797 OG SER A 114 0.690 7.165 -11.076 1.00 0.00 O ATOM 0 H SER A 114 0.409 5.341 -7.446 1.00 0.00 H new ATOM 0 HA SER A 114 2.355 6.855 -9.090 1.00 0.00 H new ATOM 0 HB2 SER A 114 0.799 5.254 -10.318 1.00 0.00 H new ATOM 0 HB3 SER A 114 -0.550 6.211 -9.739 1.00 0.00 H new ATOM 0 HG SER A 114 0.472 8.072 -10.777 1.00 0.00 H new ATOM 1803 N THR A 115 1.179 8.275 -6.968 1.00 0.00 N ATOM 1804 CA THR A 115 0.716 9.478 -6.288 1.00 0.00 C ATOM 1805 C THR A 115 1.738 9.961 -5.266 1.00 0.00 C ATOM 1806 O THR A 115 1.892 9.387 -4.188 1.00 0.00 O ATOM 1807 CB THR A 115 -0.630 9.239 -5.578 1.00 0.00 C ATOM 1808 OG1 THR A 115 -1.683 9.137 -6.544 1.00 0.00 O ATOM 1809 CG2 THR A 115 -0.936 10.367 -4.604 1.00 0.00 C ATOM 0 H THR A 115 1.837 7.713 -6.428 1.00 0.00 H new ATOM 0 HA THR A 115 0.584 10.242 -7.054 1.00 0.00 H new ATOM 0 HB THR A 115 -0.560 8.306 -5.019 1.00 0.00 H new ATOM 0 HG1 THR A 115 -1.298 9.094 -7.444 1.00 0.00 H new ATOM 0 HG21 THR A 115 -1.891 10.176 -4.115 1.00 0.00 H new ATOM 0 HG22 THR A 115 -0.148 10.423 -3.853 1.00 0.00 H new ATOM 0 HG23 THR A 115 -0.988 11.311 -5.146 1.00 0.00 H new ATOM 1817 N PRO A 116 2.455 11.041 -5.610 1.00 0.00 N ATOM 1818 CA PRO A 116 3.475 11.626 -4.734 1.00 0.00 C ATOM 1819 C PRO A 116 2.869 12.296 -3.506 1.00 0.00 C ATOM 1820 O PRO A 116 1.649 12.398 -3.381 1.00 0.00 O ATOM 1821 CB PRO A 116 4.157 12.664 -5.628 1.00 0.00 C ATOM 1822 CG PRO A 116 3.128 13.025 -6.643 1.00 0.00 C ATOM 1823 CD PRO A 116 2.324 11.776 -6.879 1.00 0.00 C ATOM 0 HA PRO A 116 4.155 10.871 -4.339 1.00 0.00 H new ATOM 0 HB2 PRO A 116 4.470 13.536 -5.054 1.00 0.00 H new ATOM 0 HB3 PRO A 116 5.051 12.255 -6.099 1.00 0.00 H new ATOM 0 HG2 PRO A 116 2.494 13.836 -6.285 1.00 0.00 H new ATOM 0 HG3 PRO A 116 3.594 13.369 -7.566 1.00 0.00 H new ATOM 0 HD2 PRO A 116 1.283 12.005 -7.105 1.00 0.00 H new ATOM 0 HD3 PRO A 116 2.713 11.200 -7.719 1.00 0.00 H new