USER MOD reduce.3.24.130724 H: found=0, std=0, add=656, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 657 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 25 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 28 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 11 LYS NZ :NH3+ 171:sc= 0.136 (180deg=0) USER MOD Set 2.2: A 18 GLN : amide:sc= -1.24 K(o=-1.1,f=-1.7) USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 CYS SG : rot 69:sc= 0.581 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot 160:sc= -0.208 USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 39 GLN : amide:sc= -0.0738 X(o=-0.074,f=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.188 USER MOD Single : A 47 TYR OH : rot 180:sc= -0.041 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot 93:sc= 0.216 USER MOD Single : A 59 HIS : no HD1:sc= -0.147 X(o=-0.15,f=-0.0011) USER MOD Single : A 63 HIS : no HD1:sc= -0.55 X(o=-0.55,f=-0.35) USER MOD Single : A 65 ASN : amide:sc= -1.14 K(o=-1.1,f=-2.7!) USER MOD Single : A 69 SER OG : rot 85:sc= 1.26 USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= -2.25! C(o=-2.2!,f=-3.7!) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc=-0.00333 USER MOD Single : A 81 GLN : amide:sc= -0.423 K(o=-0.42,f=-1.9!) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 5.108 11.486 -4.550 1.00 0.00 N ATOM 60 CA GLY A 7 4.276 10.448 -3.970 1.00 0.00 C ATOM 61 C GLY A 7 3.819 10.789 -2.565 1.00 0.00 C ATOM 62 O GLY A 7 4.240 11.795 -1.996 1.00 0.00 O ATOM 0 HA2 GLY A 7 3.404 10.289 -4.604 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.831 9.510 -3.951 1.00 0.00 H new ATOM 66 N MET A 8 2.953 9.950 -2.007 1.00 0.00 N ATOM 67 CA MET A 8 2.437 10.168 -0.660 1.00 0.00 C ATOM 68 C MET A 8 2.877 9.049 0.278 1.00 0.00 C ATOM 69 O MET A 8 3.474 8.064 -0.154 1.00 0.00 O ATOM 70 CB MET A 8 0.910 10.260 -0.684 1.00 0.00 C ATOM 71 CG MET A 8 0.383 11.393 -1.549 1.00 0.00 C ATOM 72 SD MET A 8 0.255 12.951 -0.651 1.00 0.00 S ATOM 73 CE MET A 8 -1.476 12.934 -0.189 1.00 0.00 C ATOM 0 H MET A 8 2.594 9.113 -2.466 1.00 0.00 H new ATOM 0 HA MET A 8 2.844 11.109 -0.290 1.00 0.00 H new ATOM 0 HB2 MET A 8 0.503 9.317 -1.048 1.00 0.00 H new ATOM 0 HB3 MET A 8 0.546 10.392 0.335 1.00 0.00 H new ATOM 0 HG2 MET A 8 1.041 11.526 -2.407 1.00 0.00 H new ATOM 0 HG3 MET A 8 -0.598 11.121 -1.939 1.00 0.00 H new ATOM 0 HE1 MET A 8 -1.711 13.837 0.375 1.00 0.00 H new ATOM 0 HE2 MET A 8 -2.092 12.897 -1.087 1.00 0.00 H new ATOM 0 HE3 MET A 8 -1.680 12.058 0.427 1.00 0.00 H new ATOM 83 N GLU A 9 2.578 9.209 1.564 1.00 0.00 N ATOM 84 CA GLU A 9 2.944 8.212 2.562 1.00 0.00 C ATOM 85 C GLU A 9 1.703 7.645 3.246 1.00 0.00 C ATOM 86 O GLU A 9 0.938 8.377 3.875 1.00 0.00 O ATOM 87 CB GLU A 9 3.880 8.823 3.607 1.00 0.00 C ATOM 88 CG GLU A 9 5.056 9.574 3.005 1.00 0.00 C ATOM 89 CD GLU A 9 5.793 8.762 1.958 1.00 0.00 C ATOM 90 OE1 GLU A 9 6.133 7.595 2.245 1.00 0.00 O ATOM 91 OE2 GLU A 9 6.029 9.293 0.853 1.00 0.00 O ATOM 0 H GLU A 9 2.084 10.019 1.938 1.00 0.00 H new ATOM 0 HA GLU A 9 3.461 7.399 2.052 1.00 0.00 H new ATOM 0 HB2 GLU A 9 3.310 9.504 4.239 1.00 0.00 H new ATOM 0 HB3 GLU A 9 4.258 8.030 4.252 1.00 0.00 H new ATOM 0 HG2 GLU A 9 4.699 10.501 2.556 1.00 0.00 H new ATOM 0 HG3 GLU A 9 5.750 9.851 3.799 1.00 0.00 H new ATOM 98 N LEU A 10 1.509 6.337 3.116 1.00 0.00 N ATOM 99 CA LEU A 10 0.360 5.670 3.720 1.00 0.00 C ATOM 100 C LEU A 10 0.784 4.848 4.933 1.00 0.00 C ATOM 101 O LEU A 10 1.694 4.022 4.851 1.00 0.00 O ATOM 102 CB LEU A 10 -0.329 4.769 2.695 1.00 0.00 C ATOM 103 CG LEU A 10 -1.833 4.569 2.880 1.00 0.00 C ATOM 104 CD1 LEU A 10 -2.584 5.855 2.571 1.00 0.00 C ATOM 105 CD2 LEU A 10 -2.333 3.433 2.000 1.00 0.00 C ATOM 0 H LEU A 10 2.132 5.717 2.598 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.342 6.436 4.050 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -0.158 5.185 1.702 1.00 0.00 H new ATOM 0 HB3 LEU A 10 0.153 3.792 2.718 1.00 0.00 H new ATOM 0 HG LEU A 10 -2.019 4.304 3.921 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.653 5.694 2.708 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -2.247 6.644 3.243 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -2.391 6.150 1.540 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -3.406 3.305 2.145 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.134 3.668 0.954 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.818 2.511 2.269 1.00 0.00 H new ATOM 117 N LYS A 11 0.117 5.078 6.059 1.00 0.00 N ATOM 118 CA LYS A 11 0.421 4.357 7.290 1.00 0.00 C ATOM 119 C LYS A 11 -0.491 3.145 7.449 1.00 0.00 C ATOM 120 O LYS A 11 -1.682 3.284 7.727 1.00 0.00 O ATOM 121 CB LYS A 11 0.271 5.283 8.499 1.00 0.00 C ATOM 122 CG LYS A 11 1.212 6.476 8.471 1.00 0.00 C ATOM 123 CD LYS A 11 1.387 7.080 9.854 1.00 0.00 C ATOM 124 CE LYS A 11 2.281 6.217 10.730 1.00 0.00 C ATOM 125 NZ LYS A 11 2.043 6.464 12.179 1.00 0.00 N ATOM 0 H LYS A 11 -0.638 5.758 6.145 1.00 0.00 H new ATOM 0 HA LYS A 11 1.453 4.009 7.233 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -0.757 5.642 8.546 1.00 0.00 H new ATOM 0 HB3 LYS A 11 0.450 4.711 9.409 1.00 0.00 H new ATOM 0 HG2 LYS A 11 2.182 6.166 8.083 1.00 0.00 H new ATOM 0 HG3 LYS A 11 0.822 7.232 7.789 1.00 0.00 H new ATOM 0 HD2 LYS A 11 1.817 8.078 9.765 1.00 0.00 H new ATOM 0 HD3 LYS A 11 0.412 7.194 10.328 1.00 0.00 H new ATOM 0 HE2 LYS A 11 2.102 5.165 10.507 1.00 0.00 H new ATOM 0 HE3 LYS A 11 3.326 6.420 10.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 2.556 5.755 12.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 2.381 7.415 12.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 1.025 6.395 12.380 1.00 0.00 H new ATOM 139 N VAL A 12 0.077 1.955 7.273 1.00 0.00 N ATOM 140 CA VAL A 12 -0.685 0.719 7.400 1.00 0.00 C ATOM 141 C VAL A 12 0.058 -0.298 8.260 1.00 0.00 C ATOM 142 O VAL A 12 1.157 -0.733 7.915 1.00 0.00 O ATOM 143 CB VAL A 12 -0.976 0.095 6.023 1.00 0.00 C ATOM 144 CG1 VAL A 12 -2.012 -1.012 6.146 1.00 0.00 C ATOM 145 CG2 VAL A 12 -1.438 1.162 5.042 1.00 0.00 C ATOM 0 H VAL A 12 1.062 1.822 7.042 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.629 0.977 7.880 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.055 -0.344 5.640 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -2.205 -1.441 5.163 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.638 -1.788 6.813 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.937 -0.601 6.550 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -1.639 0.703 4.074 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -2.347 1.632 5.417 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.659 1.916 4.931 1.00 0.00 H new ATOM 155 N TRP A 13 -0.550 -0.674 9.380 1.00 0.00 N ATOM 156 CA TRP A 13 0.054 -1.641 10.289 1.00 0.00 C ATOM 157 C TRP A 13 0.277 -2.978 9.592 1.00 0.00 C ATOM 158 O TRP A 13 -0.645 -3.785 9.467 1.00 0.00 O ATOM 159 CB TRP A 13 -0.831 -1.834 11.522 1.00 0.00 C ATOM 160 CG TRP A 13 -0.824 -0.657 12.449 1.00 0.00 C ATOM 161 CD1 TRP A 13 -1.631 0.443 12.382 1.00 0.00 C ATOM 162 CD2 TRP A 13 0.031 -0.462 13.580 1.00 0.00 C ATOM 163 NE1 TRP A 13 -1.328 1.311 13.404 1.00 0.00 N ATOM 164 CE2 TRP A 13 -0.312 0.778 14.153 1.00 0.00 C ATOM 165 CE3 TRP A 13 1.053 -1.215 14.166 1.00 0.00 C ATOM 166 CZ2 TRP A 13 0.331 1.280 15.282 1.00 0.00 C ATOM 167 CZ3 TRP A 13 1.690 -0.715 15.285 1.00 0.00 C ATOM 168 CH2 TRP A 13 1.327 0.522 15.834 1.00 0.00 C ATOM 0 H TRP A 13 -1.460 -0.324 9.680 1.00 0.00 H new ATOM 0 HA TRP A 13 1.022 -1.252 10.603 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -1.854 -2.027 11.199 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -0.496 -2.717 12.066 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -2.395 0.607 11.636 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -1.785 2.206 13.577 1.00 0.00 H new ATOM 0 HE3 TRP A 13 1.339 -2.170 13.751 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 0.053 2.233 15.706 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 2.482 -1.288 15.745 1.00 0.00 H new ATOM 0 HH2 TRP A 13 1.844 0.884 16.710 1.00 0.00 H new ATOM 179 N VAL A 14 1.505 -3.208 9.140 1.00 0.00 N ATOM 180 CA VAL A 14 1.849 -4.450 8.457 1.00 0.00 C ATOM 181 C VAL A 14 2.615 -5.391 9.380 1.00 0.00 C ATOM 182 O VAL A 14 3.686 -5.050 9.880 1.00 0.00 O ATOM 183 CB VAL A 14 2.694 -4.182 7.198 1.00 0.00 C ATOM 184 CG1 VAL A 14 3.020 -5.486 6.486 1.00 0.00 C ATOM 185 CG2 VAL A 14 1.971 -3.222 6.265 1.00 0.00 C ATOM 0 H VAL A 14 2.279 -2.550 9.234 1.00 0.00 H new ATOM 0 HA VAL A 14 0.911 -4.920 8.162 1.00 0.00 H new ATOM 0 HB VAL A 14 3.632 -3.718 7.503 1.00 0.00 H new ATOM 0 HG11 VAL A 14 3.618 -5.277 5.599 1.00 0.00 H new ATOM 0 HG12 VAL A 14 3.582 -6.136 7.157 1.00 0.00 H new ATOM 0 HG13 VAL A 14 2.095 -5.981 6.192 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.583 -3.044 5.381 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.017 -3.655 5.965 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.794 -2.278 6.780 1.00 0.00 H new ATOM 195 N ASP A 15 2.058 -6.577 9.600 1.00 0.00 N ATOM 196 CA ASP A 15 2.690 -7.570 10.461 1.00 0.00 C ATOM 197 C ASP A 15 3.044 -6.966 11.816 1.00 0.00 C ATOM 198 O ASP A 15 4.170 -7.105 12.294 1.00 0.00 O ATOM 199 CB ASP A 15 3.947 -8.130 9.794 1.00 0.00 C ATOM 200 CG ASP A 15 4.265 -9.541 10.249 1.00 0.00 C ATOM 201 OD1 ASP A 15 3.315 -10.314 10.489 1.00 0.00 O ATOM 202 OD2 ASP A 15 5.464 -9.870 10.367 1.00 0.00 O ATOM 0 H ASP A 15 1.171 -6.874 9.194 1.00 0.00 H new ATOM 0 HA ASP A 15 1.981 -8.382 10.619 1.00 0.00 H new ATOM 0 HB2 ASP A 15 3.815 -8.121 8.712 1.00 0.00 H new ATOM 0 HB3 ASP A 15 4.793 -7.480 10.017 1.00 0.00 H new ATOM 207 N GLY A 16 2.076 -6.294 12.431 1.00 0.00 N ATOM 208 CA GLY A 16 2.306 -5.678 13.725 1.00 0.00 C ATOM 209 C GLY A 16 3.367 -4.597 13.672 1.00 0.00 C ATOM 210 O GLY A 16 3.802 -4.092 14.707 1.00 0.00 O ATOM 0 H GLY A 16 1.136 -6.165 12.056 1.00 0.00 H new ATOM 0 HA2 GLY A 16 1.373 -5.249 14.091 1.00 0.00 H new ATOM 0 HA3 GLY A 16 2.607 -6.444 14.440 1.00 0.00 H new ATOM 214 N VAL A 17 3.786 -4.240 12.462 1.00 0.00 N ATOM 215 CA VAL A 17 4.803 -3.212 12.277 1.00 0.00 C ATOM 216 C VAL A 17 4.345 -2.161 11.272 1.00 0.00 C ATOM 217 O VAL A 17 4.044 -2.478 10.122 1.00 0.00 O ATOM 218 CB VAL A 17 6.135 -3.819 11.798 1.00 0.00 C ATOM 219 CG1 VAL A 17 7.198 -2.740 11.669 1.00 0.00 C ATOM 220 CG2 VAL A 17 6.590 -4.918 12.746 1.00 0.00 C ATOM 0 H VAL A 17 3.436 -4.648 11.595 1.00 0.00 H new ATOM 0 HA VAL A 17 4.956 -2.740 13.248 1.00 0.00 H new ATOM 0 HB VAL A 17 5.980 -4.261 10.814 1.00 0.00 H new ATOM 0 HG11 VAL A 17 8.132 -3.188 11.330 1.00 0.00 H new ATOM 0 HG12 VAL A 17 6.871 -1.992 10.947 1.00 0.00 H new ATOM 0 HG13 VAL A 17 7.354 -2.266 12.638 1.00 0.00 H new ATOM 0 HG21 VAL A 17 7.533 -5.336 12.393 1.00 0.00 H new ATOM 0 HG22 VAL A 17 6.729 -4.503 13.744 1.00 0.00 H new ATOM 0 HG23 VAL A 17 5.835 -5.704 12.781 1.00 0.00 H new ATOM 230 N GLN A 18 4.296 -0.908 11.715 1.00 0.00 N ATOM 231 CA GLN A 18 3.875 0.190 10.853 1.00 0.00 C ATOM 232 C GLN A 18 4.898 0.439 9.750 1.00 0.00 C ATOM 233 O GLN A 18 6.006 0.908 10.011 1.00 0.00 O ATOM 234 CB GLN A 18 3.675 1.464 11.676 1.00 0.00 C ATOM 235 CG GLN A 18 2.629 2.403 11.098 1.00 0.00 C ATOM 236 CD GLN A 18 1.977 3.273 12.155 1.00 0.00 C ATOM 237 OE1 GLN A 18 2.609 3.645 13.145 1.00 0.00 O ATOM 238 NE2 GLN A 18 0.707 3.602 11.951 1.00 0.00 N ATOM 0 H GLN A 18 4.542 -0.629 12.665 1.00 0.00 H new ATOM 0 HA GLN A 18 2.928 -0.088 10.390 1.00 0.00 H new ATOM 0 HB2 GLN A 18 3.384 1.190 12.690 1.00 0.00 H new ATOM 0 HB3 GLN A 18 4.625 1.993 11.749 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.094 3.040 10.345 1.00 0.00 H new ATOM 0 HG3 GLN A 18 1.862 1.818 10.591 1.00 0.00 H new ATOM 0 HE21 GLN A 18 0.222 3.271 11.117 1.00 0.00 H new ATOM 0 HE22 GLN A 18 0.216 4.185 12.629 1.00 0.00 H new ATOM 247 N ARG A 19 4.520 0.122 8.516 1.00 0.00 N ATOM 248 CA ARG A 19 5.405 0.310 7.373 1.00 0.00 C ATOM 249 C ARG A 19 4.916 1.454 6.489 1.00 0.00 C ATOM 250 O ARG A 19 3.838 1.379 5.900 1.00 0.00 O ATOM 251 CB ARG A 19 5.495 -0.979 6.553 1.00 0.00 C ATOM 252 CG ARG A 19 6.587 -1.925 7.025 1.00 0.00 C ATOM 253 CD ARG A 19 7.179 -2.715 5.867 1.00 0.00 C ATOM 254 NE ARG A 19 8.328 -2.037 5.273 1.00 0.00 N ATOM 255 CZ ARG A 19 9.561 -2.119 5.760 1.00 0.00 C ATOM 256 NH1 ARG A 19 9.804 -2.845 6.842 1.00 0.00 N ATOM 257 NH2 ARG A 19 10.555 -1.473 5.163 1.00 0.00 N ATOM 0 H ARG A 19 3.606 -0.266 8.282 1.00 0.00 H new ATOM 0 HA ARG A 19 6.396 0.563 7.750 1.00 0.00 H new ATOM 0 HB2 ARG A 19 4.536 -1.495 6.596 1.00 0.00 H new ATOM 0 HB3 ARG A 19 5.673 -0.724 5.508 1.00 0.00 H new ATOM 0 HG2 ARG A 19 7.375 -1.356 7.519 1.00 0.00 H new ATOM 0 HG3 ARG A 19 6.179 -2.613 7.765 1.00 0.00 H new ATOM 0 HD2 ARG A 19 7.482 -3.701 6.218 1.00 0.00 H new ATOM 0 HD3 ARG A 19 6.415 -2.869 5.105 1.00 0.00 H new ATOM 0 HE ARG A 19 8.175 -1.470 4.439 1.00 0.00 H new ATOM 0 HH11 ARG A 19 9.043 -3.343 7.303 1.00 0.00 H new ATOM 0 HH12 ARG A 19 10.752 -2.906 7.213 1.00 0.00 H new ATOM 0 HH21 ARG A 19 10.372 -0.913 4.330 1.00 0.00 H new ATOM 0 HH22 ARG A 19 11.502 -1.536 5.537 1.00 0.00 H new ATOM 271 N ILE A 20 5.716 2.511 6.403 1.00 0.00 N ATOM 272 CA ILE A 20 5.366 3.670 5.592 1.00 0.00 C ATOM 273 C ILE A 20 5.872 3.513 4.162 1.00 0.00 C ATOM 274 O ILE A 20 7.075 3.397 3.927 1.00 0.00 O ATOM 275 CB ILE A 20 5.939 4.969 6.188 1.00 0.00 C ATOM 276 CG1 ILE A 20 5.684 5.019 7.696 1.00 0.00 C ATOM 277 CG2 ILE A 20 5.327 6.182 5.502 1.00 0.00 C ATOM 278 CD1 ILE A 20 4.307 4.537 8.093 1.00 0.00 C ATOM 0 H ILE A 20 6.611 2.589 6.885 1.00 0.00 H new ATOM 0 HA ILE A 20 4.278 3.733 5.585 1.00 0.00 H new ATOM 0 HB ILE A 20 7.016 4.985 6.019 1.00 0.00 H new ATOM 0 HG12 ILE A 20 6.433 4.411 8.203 1.00 0.00 H new ATOM 0 HG13 ILE A 20 5.816 6.043 8.045 1.00 0.00 H new ATOM 0 HG21 ILE A 20 5.742 7.092 5.934 1.00 0.00 H new ATOM 0 HG22 ILE A 20 5.554 6.150 4.436 1.00 0.00 H new ATOM 0 HG23 ILE A 20 4.246 6.173 5.643 1.00 0.00 H new ATOM 0 HD11 ILE A 20 4.197 4.601 9.176 1.00 0.00 H new ATOM 0 HD12 ILE A 20 3.551 5.160 7.614 1.00 0.00 H new ATOM 0 HD13 ILE A 20 4.178 3.502 7.775 1.00 0.00 H new ATOM 290 N VAL A 21 4.946 3.513 3.208 1.00 0.00 N ATOM 291 CA VAL A 21 5.298 3.374 1.800 1.00 0.00 C ATOM 292 C VAL A 21 5.305 4.728 1.099 1.00 0.00 C ATOM 293 O VAL A 21 4.334 5.481 1.172 1.00 0.00 O ATOM 294 CB VAL A 21 4.322 2.434 1.068 1.00 0.00 C ATOM 295 CG1 VAL A 21 4.809 2.156 -0.346 1.00 0.00 C ATOM 296 CG2 VAL A 21 4.147 1.138 1.845 1.00 0.00 C ATOM 0 H VAL A 21 3.946 3.608 3.385 1.00 0.00 H new ATOM 0 HA VAL A 21 6.299 2.945 1.765 1.00 0.00 H new ATOM 0 HB VAL A 21 3.351 2.925 1.003 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.107 1.490 -0.848 1.00 0.00 H new ATOM 0 HG12 VAL A 21 4.878 3.093 -0.898 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.791 1.685 -0.307 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.454 0.486 1.313 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.111 0.640 1.943 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.750 1.359 2.836 1.00 0.00 H new ATOM 306 N CYS A 22 6.407 5.030 0.421 1.00 0.00 N ATOM 307 CA CYS A 22 6.541 6.295 -0.294 1.00 0.00 C ATOM 308 C CYS A 22 6.398 6.087 -1.798 1.00 0.00 C ATOM 309 O CYS A 22 7.001 5.180 -2.370 1.00 0.00 O ATOM 310 CB CYS A 22 7.892 6.940 0.018 1.00 0.00 C ATOM 311 SG CYS A 22 8.167 8.519 -0.818 1.00 0.00 S ATOM 0 H CYS A 22 7.220 4.417 0.351 1.00 0.00 H new ATOM 0 HA CYS A 22 5.744 6.959 0.040 1.00 0.00 H new ATOM 0 HB2 CYS A 22 7.970 7.093 1.094 1.00 0.00 H new ATOM 0 HB3 CYS A 22 8.686 6.249 -0.264 1.00 0.00 H new ATOM 0 HG CYS A 22 7.364 9.416 -0.327 1.00 0.00 H new ATOM 317 N GLY A 23 5.593 6.933 -2.433 1.00 0.00 N ATOM 318 CA GLY A 23 5.384 6.824 -3.865 1.00 0.00 C ATOM 319 C GLY A 23 3.915 6.730 -4.231 1.00 0.00 C ATOM 320 O GLY A 23 3.490 7.253 -5.261 1.00 0.00 O ATOM 0 H GLY A 23 5.082 7.692 -1.982 1.00 0.00 H new ATOM 0 HA2 GLY A 23 5.824 7.690 -4.360 1.00 0.00 H new ATOM 0 HA3 GLY A 23 5.906 5.943 -4.239 1.00 0.00 H new ATOM 324 N VAL A 24 3.139 6.060 -3.386 1.00 0.00 N ATOM 325 CA VAL A 24 1.709 5.898 -3.625 1.00 0.00 C ATOM 326 C VAL A 24 1.052 7.234 -3.952 1.00 0.00 C ATOM 327 O VAL A 24 0.962 8.119 -3.101 1.00 0.00 O ATOM 328 CB VAL A 24 1.003 5.275 -2.407 1.00 0.00 C ATOM 329 CG1 VAL A 24 1.332 6.054 -1.142 1.00 0.00 C ATOM 330 CG2 VAL A 24 -0.500 5.221 -2.633 1.00 0.00 C ATOM 0 H VAL A 24 3.476 5.620 -2.530 1.00 0.00 H new ATOM 0 HA VAL A 24 1.605 5.227 -4.478 1.00 0.00 H new ATOM 0 HB VAL A 24 1.366 4.255 -2.281 1.00 0.00 H new ATOM 0 HG11 VAL A 24 0.824 5.599 -0.292 1.00 0.00 H new ATOM 0 HG12 VAL A 24 2.409 6.036 -0.973 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.999 7.086 -1.253 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -0.983 4.778 -1.762 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -0.882 6.231 -2.785 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -0.714 4.616 -3.514 1.00 0.00 H new ATOM 340 N THR A 25 0.592 7.374 -5.192 1.00 0.00 N ATOM 341 CA THR A 25 -0.056 8.602 -5.632 1.00 0.00 C ATOM 342 C THR A 25 -1.565 8.416 -5.746 1.00 0.00 C ATOM 343 O THR A 25 -2.088 7.335 -5.480 1.00 0.00 O ATOM 344 CB THR A 25 0.496 9.073 -6.991 1.00 0.00 C ATOM 345 OG1 THR A 25 0.400 8.016 -7.952 1.00 0.00 O ATOM 346 CG2 THR A 25 1.945 9.518 -6.861 1.00 0.00 C ATOM 0 H THR A 25 0.657 6.651 -5.909 1.00 0.00 H new ATOM 0 HA THR A 25 0.158 9.360 -4.879 1.00 0.00 H new ATOM 0 HB THR A 25 -0.100 9.922 -7.326 1.00 0.00 H new ATOM 0 HG1 THR A 25 0.751 8.324 -8.813 1.00 0.00 H new ATOM 0 HG21 THR A 25 2.313 9.846 -7.833 1.00 0.00 H new ATOM 0 HG22 THR A 25 2.010 10.342 -6.151 1.00 0.00 H new ATOM 0 HG23 THR A 25 2.551 8.685 -6.506 1.00 0.00 H new ATOM 354 N GLU A 26 -2.259 9.478 -6.144 1.00 0.00 N ATOM 355 CA GLU A 26 -3.709 9.430 -6.293 1.00 0.00 C ATOM 356 C GLU A 26 -4.119 8.333 -7.271 1.00 0.00 C ATOM 357 O GLU A 26 -5.080 7.601 -7.033 1.00 0.00 O ATOM 358 CB GLU A 26 -4.239 10.782 -6.775 1.00 0.00 C ATOM 359 CG GLU A 26 -3.716 11.962 -5.972 1.00 0.00 C ATOM 360 CD GLU A 26 -4.633 13.168 -6.042 1.00 0.00 C ATOM 361 OE1 GLU A 26 -5.788 13.009 -6.490 1.00 0.00 O ATOM 362 OE2 GLU A 26 -4.197 14.269 -5.648 1.00 0.00 O ATOM 0 H GLU A 26 -1.841 10.381 -6.369 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.142 9.204 -5.318 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -3.968 10.917 -7.822 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.328 10.774 -6.726 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -3.594 11.663 -4.931 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -2.729 12.239 -6.342 1.00 0.00 H new ATOM 369 N VAL A 27 -3.385 8.227 -8.374 1.00 0.00 N ATOM 370 CA VAL A 27 -3.671 7.219 -9.389 1.00 0.00 C ATOM 371 C VAL A 27 -3.533 5.812 -8.820 1.00 0.00 C ATOM 372 O VAL A 27 -4.345 4.931 -9.108 1.00 0.00 O ATOM 373 CB VAL A 27 -2.735 7.365 -10.603 1.00 0.00 C ATOM 374 CG1 VAL A 27 -3.039 6.296 -11.642 1.00 0.00 C ATOM 375 CG2 VAL A 27 -2.857 8.756 -11.206 1.00 0.00 C ATOM 0 H VAL A 27 -2.588 8.826 -8.588 1.00 0.00 H new ATOM 0 HA VAL A 27 -4.700 7.377 -9.712 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.707 7.229 -10.266 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.368 6.414 -12.493 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.896 5.309 -11.202 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -4.071 6.397 -11.977 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.188 8.841 -12.063 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -3.884 8.924 -11.529 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.586 9.502 -10.459 1.00 0.00 H new ATOM 385 N THR A 28 -2.500 5.605 -8.010 1.00 0.00 N ATOM 386 CA THR A 28 -2.254 4.304 -7.400 1.00 0.00 C ATOM 387 C THR A 28 -3.467 3.831 -6.608 1.00 0.00 C ATOM 388 O THR A 28 -3.799 4.394 -5.564 1.00 0.00 O ATOM 389 CB THR A 28 -1.029 4.343 -6.468 1.00 0.00 C ATOM 390 OG1 THR A 28 0.146 4.676 -7.216 1.00 0.00 O ATOM 391 CG2 THR A 28 -0.833 3.003 -5.776 1.00 0.00 C ATOM 0 H THR A 28 -1.819 6.323 -7.761 1.00 0.00 H new ATOM 0 HA THR A 28 -2.059 3.605 -8.213 1.00 0.00 H new ATOM 0 HB THR A 28 -1.203 5.105 -5.708 1.00 0.00 H new ATOM 0 HG1 THR A 28 0.920 4.700 -6.616 1.00 0.00 H new ATOM 0 HG21 THR A 28 0.038 3.055 -5.123 1.00 0.00 H new ATOM 0 HG22 THR A 28 -1.717 2.767 -5.184 1.00 0.00 H new ATOM 0 HG23 THR A 28 -0.679 2.226 -6.525 1.00 0.00 H new ATOM 399 N THR A 29 -4.127 2.791 -7.109 1.00 0.00 N ATOM 400 CA THR A 29 -5.304 2.241 -6.448 1.00 0.00 C ATOM 401 C THR A 29 -4.929 1.554 -5.140 1.00 0.00 C ATOM 402 O THR A 29 -3.771 1.583 -4.722 1.00 0.00 O ATOM 403 CB THR A 29 -6.037 1.234 -7.353 1.00 0.00 C ATOM 404 OG1 THR A 29 -5.138 0.197 -7.761 1.00 0.00 O ATOM 405 CG2 THR A 29 -6.612 1.926 -8.579 1.00 0.00 C ATOM 0 H THR A 29 -3.866 2.313 -7.971 1.00 0.00 H new ATOM 0 HA THR A 29 -5.969 3.079 -6.237 1.00 0.00 H new ATOM 0 HB THR A 29 -6.858 0.799 -6.784 1.00 0.00 H new ATOM 0 HG1 THR A 29 -5.612 -0.440 -8.335 1.00 0.00 H new ATOM 0 HG21 THR A 29 -7.125 1.194 -9.203 1.00 0.00 H new ATOM 0 HG22 THR A 29 -7.319 2.694 -8.265 1.00 0.00 H new ATOM 0 HG23 THR A 29 -5.805 2.386 -9.149 1.00 0.00 H new ATOM 413 N CYS A 30 -5.914 0.936 -4.498 1.00 0.00 N ATOM 414 CA CYS A 30 -5.688 0.240 -3.237 1.00 0.00 C ATOM 415 C CYS A 30 -4.851 -1.017 -3.452 1.00 0.00 C ATOM 416 O CYS A 30 -3.781 -1.169 -2.864 1.00 0.00 O ATOM 417 CB CYS A 30 -7.022 -0.125 -2.585 1.00 0.00 C ATOM 418 SG CYS A 30 -7.758 1.209 -1.611 1.00 0.00 S ATOM 0 H CYS A 30 -6.878 0.903 -4.831 1.00 0.00 H new ATOM 0 HA CYS A 30 -5.140 0.910 -2.574 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -7.725 -0.423 -3.363 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -6.874 -0.992 -1.941 1.00 0.00 H new ATOM 0 HG CYS A 30 -9.029 0.985 -1.459 1.00 0.00 H new ATOM 424 N GLN A 31 -5.348 -1.915 -4.296 1.00 0.00 N ATOM 425 CA GLN A 31 -4.648 -3.160 -4.586 1.00 0.00 C ATOM 426 C GLN A 31 -3.174 -2.900 -4.878 1.00 0.00 C ATOM 427 O GLN A 31 -2.294 -3.525 -4.286 1.00 0.00 O ATOM 428 CB GLN A 31 -5.297 -3.871 -5.775 1.00 0.00 C ATOM 429 CG GLN A 31 -4.579 -5.145 -6.188 1.00 0.00 C ATOM 430 CD GLN A 31 -5.338 -5.926 -7.243 1.00 0.00 C ATOM 431 OE1 GLN A 31 -6.498 -5.634 -7.534 1.00 0.00 O ATOM 432 NE2 GLN A 31 -4.684 -6.926 -7.824 1.00 0.00 N ATOM 0 H GLN A 31 -6.233 -1.803 -4.791 1.00 0.00 H new ATOM 0 HA GLN A 31 -4.719 -3.800 -3.706 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -6.330 -4.111 -5.524 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -5.326 -3.188 -6.624 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -3.590 -4.893 -6.570 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -4.431 -5.775 -5.311 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -3.723 -7.133 -7.552 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -5.143 -7.487 -8.542 1.00 0.00 H new ATOM 441 N GLU A 32 -2.911 -1.973 -5.795 1.00 0.00 N ATOM 442 CA GLU A 32 -1.543 -1.632 -6.166 1.00 0.00 C ATOM 443 C GLU A 32 -0.664 -1.487 -4.927 1.00 0.00 C ATOM 444 O GLU A 32 0.305 -2.226 -4.750 1.00 0.00 O ATOM 445 CB GLU A 32 -1.519 -0.334 -6.976 1.00 0.00 C ATOM 446 CG GLU A 32 -1.793 -0.536 -8.457 1.00 0.00 C ATOM 447 CD GLU A 32 -1.743 0.760 -9.242 1.00 0.00 C ATOM 448 OE1 GLU A 32 -0.740 1.494 -9.112 1.00 0.00 O ATOM 449 OE2 GLU A 32 -2.706 1.042 -9.985 1.00 0.00 O ATOM 0 H GLU A 32 -3.627 -1.445 -6.294 1.00 0.00 H new ATOM 0 HA GLU A 32 -1.147 -2.442 -6.779 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -2.261 0.353 -6.568 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -0.545 0.141 -6.857 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -1.061 -1.233 -8.866 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.774 -0.994 -8.582 1.00 0.00 H new ATOM 456 N VAL A 33 -1.008 -0.529 -4.073 1.00 0.00 N ATOM 457 CA VAL A 33 -0.252 -0.287 -2.850 1.00 0.00 C ATOM 458 C VAL A 33 0.048 -1.592 -2.121 1.00 0.00 C ATOM 459 O VAL A 33 1.204 -1.908 -1.843 1.00 0.00 O ATOM 460 CB VAL A 33 -1.010 0.658 -1.899 1.00 0.00 C ATOM 461 CG1 VAL A 33 -0.207 0.894 -0.628 1.00 0.00 C ATOM 462 CG2 VAL A 33 -1.324 1.974 -2.593 1.00 0.00 C ATOM 0 H VAL A 33 -1.806 0.093 -4.205 1.00 0.00 H new ATOM 0 HA VAL A 33 0.686 0.183 -3.146 1.00 0.00 H new ATOM 0 HB VAL A 33 -1.953 0.186 -1.622 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.758 1.564 0.032 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.039 -0.057 -0.122 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.753 1.344 -0.882 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.860 2.629 -1.906 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.395 2.453 -2.901 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -1.943 1.784 -3.470 1.00 0.00 H new ATOM 472 N VAL A 34 -1.003 -2.346 -1.815 1.00 0.00 N ATOM 473 CA VAL A 34 -0.853 -3.619 -1.119 1.00 0.00 C ATOM 474 C VAL A 34 0.269 -4.451 -1.731 1.00 0.00 C ATOM 475 O VAL A 34 1.195 -4.870 -1.035 1.00 0.00 O ATOM 476 CB VAL A 34 -2.159 -4.435 -1.153 1.00 0.00 C ATOM 477 CG1 VAL A 34 -2.013 -5.711 -0.339 1.00 0.00 C ATOM 478 CG2 VAL A 34 -3.322 -3.598 -0.643 1.00 0.00 C ATOM 0 H VAL A 34 -1.967 -2.098 -2.038 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.606 -3.386 -0.083 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.366 -4.714 -2.186 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.946 -6.274 -0.375 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -1.207 -6.317 -0.753 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.781 -5.458 0.696 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -4.237 -4.190 -0.674 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.125 -3.288 0.383 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -3.439 -2.716 -1.272 1.00 0.00 H new ATOM 488 N ILE A 35 0.180 -4.685 -3.036 1.00 0.00 N ATOM 489 CA ILE A 35 1.189 -5.465 -3.742 1.00 0.00 C ATOM 490 C ILE A 35 2.596 -5.012 -3.368 1.00 0.00 C ATOM 491 O ILE A 35 3.514 -5.825 -3.264 1.00 0.00 O ATOM 492 CB ILE A 35 1.016 -5.360 -5.268 1.00 0.00 C ATOM 493 CG1 ILE A 35 -0.310 -5.991 -5.698 1.00 0.00 C ATOM 494 CG2 ILE A 35 2.182 -6.027 -5.981 1.00 0.00 C ATOM 495 CD1 ILE A 35 -0.738 -5.604 -7.097 1.00 0.00 C ATOM 0 H ILE A 35 -0.580 -4.346 -3.626 1.00 0.00 H new ATOM 0 HA ILE A 35 1.053 -6.503 -3.440 1.00 0.00 H new ATOM 0 HB ILE A 35 1.002 -4.306 -5.545 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -0.222 -7.076 -5.641 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -1.088 -5.697 -4.994 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.045 -5.944 -7.059 1.00 0.00 H new ATOM 0 HG22 ILE A 35 3.112 -5.536 -5.695 1.00 0.00 H new ATOM 0 HG23 ILE A 35 2.226 -7.079 -5.701 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.686 -6.088 -7.334 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -0.858 -4.522 -7.155 1.00 0.00 H new ATOM 0 HD13 ILE A 35 0.021 -5.923 -7.811 1.00 0.00 H new ATOM 507 N ALA A 36 2.757 -3.708 -3.166 1.00 0.00 N ATOM 508 CA ALA A 36 4.051 -3.146 -2.800 1.00 0.00 C ATOM 509 C ALA A 36 4.525 -3.689 -1.456 1.00 0.00 C ATOM 510 O ALA A 36 5.714 -3.943 -1.262 1.00 0.00 O ATOM 511 CB ALA A 36 3.975 -1.627 -2.761 1.00 0.00 C ATOM 0 H ALA A 36 2.007 -3.021 -3.250 1.00 0.00 H new ATOM 0 HA ALA A 36 4.776 -3.443 -3.558 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.949 -1.221 -2.486 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.689 -1.252 -3.744 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.232 -1.319 -2.025 1.00 0.00 H new ATOM 517 N LEU A 37 3.588 -3.864 -0.531 1.00 0.00 N ATOM 518 CA LEU A 37 3.910 -4.376 0.797 1.00 0.00 C ATOM 519 C LEU A 37 4.458 -5.797 0.714 1.00 0.00 C ATOM 520 O LEU A 37 5.476 -6.116 1.326 1.00 0.00 O ATOM 521 CB LEU A 37 2.669 -4.347 1.691 1.00 0.00 C ATOM 522 CG LEU A 37 2.373 -3.017 2.386 1.00 0.00 C ATOM 523 CD1 LEU A 37 3.569 -2.569 3.212 1.00 0.00 C ATOM 524 CD2 LEU A 37 2.000 -1.953 1.364 1.00 0.00 C ATOM 0 H LEU A 37 2.599 -3.659 -0.676 1.00 0.00 H new ATOM 0 HA LEU A 37 4.677 -3.735 1.231 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.804 -4.618 1.086 1.00 0.00 H new ATOM 0 HB3 LEU A 37 2.778 -5.117 2.455 1.00 0.00 H new ATOM 0 HG LEU A 37 1.526 -3.160 3.058 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.340 -1.621 3.699 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.791 -3.322 3.969 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.434 -2.443 2.561 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.793 -1.013 1.876 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.826 -1.812 0.667 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.113 -2.270 0.815 1.00 0.00 H new ATOM 536 N ALA A 38 3.776 -6.645 -0.049 1.00 0.00 N ATOM 537 CA ALA A 38 4.197 -8.031 -0.215 1.00 0.00 C ATOM 538 C ALA A 38 5.630 -8.111 -0.730 1.00 0.00 C ATOM 539 O ALA A 38 6.400 -8.976 -0.314 1.00 0.00 O ATOM 540 CB ALA A 38 3.253 -8.759 -1.161 1.00 0.00 C ATOM 0 H ALA A 38 2.930 -6.397 -0.562 1.00 0.00 H new ATOM 0 HA ALA A 38 4.162 -8.515 0.761 1.00 0.00 H new ATOM 0 HB1 ALA A 38 3.579 -9.793 -1.276 1.00 0.00 H new ATOM 0 HB2 ALA A 38 2.243 -8.740 -0.752 1.00 0.00 H new ATOM 0 HB3 ALA A 38 3.260 -8.266 -2.133 1.00 0.00 H new ATOM 546 N GLN A 39 5.980 -7.204 -1.637 1.00 0.00 N ATOM 547 CA GLN A 39 7.321 -7.175 -2.209 1.00 0.00 C ATOM 548 C GLN A 39 8.367 -6.913 -1.130 1.00 0.00 C ATOM 549 O GLN A 39 9.556 -7.161 -1.331 1.00 0.00 O ATOM 550 CB GLN A 39 7.411 -6.102 -3.295 1.00 0.00 C ATOM 551 CG GLN A 39 6.849 -6.545 -4.636 1.00 0.00 C ATOM 552 CD GLN A 39 7.406 -5.744 -5.796 1.00 0.00 C ATOM 553 OE1 GLN A 39 6.671 -5.039 -6.488 1.00 0.00 O ATOM 554 NE2 GLN A 39 8.712 -5.847 -6.015 1.00 0.00 N ATOM 0 H GLN A 39 5.354 -6.480 -1.991 1.00 0.00 H new ATOM 0 HA GLN A 39 7.521 -8.150 -2.654 1.00 0.00 H new ATOM 0 HB2 GLN A 39 6.875 -5.213 -2.961 1.00 0.00 H new ATOM 0 HB3 GLN A 39 8.454 -5.815 -3.425 1.00 0.00 H new ATOM 0 HG2 GLN A 39 7.072 -7.601 -4.788 1.00 0.00 H new ATOM 0 HG3 GLN A 39 5.763 -6.448 -4.621 1.00 0.00 H new ATOM 0 HE21 GLN A 39 9.284 -6.443 -5.417 1.00 0.00 H new ATOM 0 HE22 GLN A 39 9.143 -5.330 -6.781 1.00 0.00 H new ATOM 563 N ALA A 40 7.917 -6.409 0.014 1.00 0.00 N ATOM 564 CA ALA A 40 8.813 -6.115 1.125 1.00 0.00 C ATOM 565 C ALA A 40 8.829 -7.256 2.136 1.00 0.00 C ATOM 566 O ALA A 40 9.845 -7.929 2.311 1.00 0.00 O ATOM 567 CB ALA A 40 8.407 -4.814 1.801 1.00 0.00 C ATOM 0 H ALA A 40 6.936 -6.196 0.196 1.00 0.00 H new ATOM 0 HA ALA A 40 9.821 -6.005 0.726 1.00 0.00 H new ATOM 0 HB1 ALA A 40 9.085 -4.607 2.629 1.00 0.00 H new ATOM 0 HB2 ALA A 40 8.456 -3.998 1.080 1.00 0.00 H new ATOM 0 HB3 ALA A 40 7.389 -4.903 2.180 1.00 0.00 H new ATOM 573 N ILE A 41 7.697 -7.469 2.799 1.00 0.00 N ATOM 574 CA ILE A 41 7.581 -8.529 3.792 1.00 0.00 C ATOM 575 C ILE A 41 7.756 -9.903 3.152 1.00 0.00 C ATOM 576 O ILE A 41 8.201 -10.849 3.800 1.00 0.00 O ATOM 577 CB ILE A 41 6.220 -8.481 4.512 1.00 0.00 C ATOM 578 CG1 ILE A 41 5.079 -8.571 3.497 1.00 0.00 C ATOM 579 CG2 ILE A 41 6.103 -7.208 5.337 1.00 0.00 C ATOM 580 CD1 ILE A 41 3.709 -8.381 4.110 1.00 0.00 C ATOM 0 H ILE A 41 6.847 -6.921 2.666 1.00 0.00 H new ATOM 0 HA ILE A 41 8.374 -8.366 4.521 1.00 0.00 H new ATOM 0 HB ILE A 41 6.151 -9.335 5.185 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.230 -7.817 2.725 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.117 -9.543 3.005 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.136 -7.188 5.840 1.00 0.00 H new ATOM 0 HG22 ILE A 41 6.900 -7.182 6.081 1.00 0.00 H new ATOM 0 HG23 ILE A 41 6.189 -6.341 4.682 1.00 0.00 H new ATOM 0 HD11 ILE A 41 2.949 -8.457 3.333 1.00 0.00 H new ATOM 0 HD12 ILE A 41 3.537 -9.151 4.862 1.00 0.00 H new ATOM 0 HD13 ILE A 41 3.653 -7.398 4.577 1.00 0.00 H new ATOM 592 N GLY A 42 7.405 -10.003 1.874 1.00 0.00 N ATOM 593 CA GLY A 42 7.532 -11.264 1.167 1.00 0.00 C ATOM 594 C GLY A 42 6.300 -12.136 1.309 1.00 0.00 C ATOM 595 O GLY A 42 6.347 -13.191 1.940 1.00 0.00 O ATOM 0 H GLY A 42 7.035 -9.234 1.316 1.00 0.00 H new ATOM 0 HA2 GLY A 42 7.714 -11.068 0.110 1.00 0.00 H new ATOM 0 HA3 GLY A 42 8.400 -11.803 1.546 1.00 0.00 H new ATOM 599 N ARG A 43 5.193 -11.693 0.721 1.00 0.00 N ATOM 600 CA ARG A 43 3.942 -12.438 0.788 1.00 0.00 C ATOM 601 C ARG A 43 3.279 -12.512 -0.585 1.00 0.00 C ATOM 602 O ARG A 43 3.814 -12.009 -1.573 1.00 0.00 O ATOM 603 CB ARG A 43 2.989 -11.788 1.792 1.00 0.00 C ATOM 604 CG ARG A 43 3.294 -12.143 3.239 1.00 0.00 C ATOM 605 CD ARG A 43 2.852 -13.560 3.570 1.00 0.00 C ATOM 606 NE ARG A 43 2.651 -13.749 5.004 1.00 0.00 N ATOM 607 CZ ARG A 43 2.222 -14.885 5.542 1.00 0.00 C ATOM 608 NH1 ARG A 43 1.950 -15.928 4.769 1.00 0.00 N ATOM 609 NH2 ARG A 43 2.064 -14.981 6.856 1.00 0.00 N ATOM 0 H ARG A 43 5.138 -10.822 0.193 1.00 0.00 H new ATOM 0 HA ARG A 43 4.169 -13.452 1.118 1.00 0.00 H new ATOM 0 HB2 ARG A 43 3.035 -10.705 1.675 1.00 0.00 H new ATOM 0 HB3 ARG A 43 1.968 -12.091 1.560 1.00 0.00 H new ATOM 0 HG2 ARG A 43 4.364 -12.042 3.422 1.00 0.00 H new ATOM 0 HG3 ARG A 43 2.790 -11.439 3.901 1.00 0.00 H new ATOM 0 HD2 ARG A 43 1.925 -13.784 3.041 1.00 0.00 H new ATOM 0 HD3 ARG A 43 3.601 -14.266 3.213 1.00 0.00 H new ATOM 0 HE ARG A 43 2.851 -12.966 5.626 1.00 0.00 H new ATOM 0 HH11 ARG A 43 2.070 -15.859 3.758 1.00 0.00 H new ATOM 0 HH12 ARG A 43 1.621 -16.799 5.185 1.00 0.00 H new ATOM 0 HH21 ARG A 43 2.272 -14.182 7.454 1.00 0.00 H new ATOM 0 HH22 ARG A 43 1.734 -15.854 7.268 1.00 0.00 H new ATOM 623 N THR A 44 2.109 -13.142 -0.638 1.00 0.00 N ATOM 624 CA THR A 44 1.374 -13.282 -1.889 1.00 0.00 C ATOM 625 C THR A 44 1.143 -11.927 -2.547 1.00 0.00 C ATOM 626 O THR A 44 1.695 -11.639 -3.608 1.00 0.00 O ATOM 627 CB THR A 44 0.013 -13.970 -1.666 1.00 0.00 C ATOM 628 OG1 THR A 44 -0.832 -13.136 -0.866 1.00 0.00 O ATOM 629 CG2 THR A 44 0.194 -15.319 -0.985 1.00 0.00 C ATOM 0 H THR A 44 1.651 -13.563 0.170 1.00 0.00 H new ATOM 0 HA THR A 44 1.984 -13.902 -2.546 1.00 0.00 H new ATOM 0 HB THR A 44 -0.452 -14.131 -2.639 1.00 0.00 H new ATOM 0 HG1 THR A 44 -1.695 -13.579 -0.730 1.00 0.00 H new ATOM 0 HG21 THR A 44 -0.780 -15.786 -0.838 1.00 0.00 H new ATOM 0 HG22 THR A 44 0.814 -15.962 -1.610 1.00 0.00 H new ATOM 0 HG23 THR A 44 0.678 -15.177 -0.019 1.00 0.00 H new ATOM 637 N GLY A 45 0.324 -11.096 -1.909 1.00 0.00 N ATOM 638 CA GLY A 45 0.036 -9.779 -2.447 1.00 0.00 C ATOM 639 C GLY A 45 -1.446 -9.560 -2.679 1.00 0.00 C ATOM 640 O GLY A 45 -1.856 -8.501 -3.156 1.00 0.00 O ATOM 0 H GLY A 45 -0.145 -11.311 -1.029 1.00 0.00 H new ATOM 0 HA2 GLY A 45 0.409 -9.019 -1.760 1.00 0.00 H new ATOM 0 HA3 GLY A 45 0.571 -9.649 -3.388 1.00 0.00 H new ATOM 644 N ARG A 46 -2.251 -10.562 -2.343 1.00 0.00 N ATOM 645 CA ARG A 46 -3.695 -10.474 -2.520 1.00 0.00 C ATOM 646 C ARG A 46 -4.380 -10.076 -1.216 1.00 0.00 C ATOM 647 O ARG A 46 -5.292 -10.758 -0.748 1.00 0.00 O ATOM 648 CB ARG A 46 -4.252 -11.811 -3.013 1.00 0.00 C ATOM 649 CG ARG A 46 -3.769 -12.197 -4.402 1.00 0.00 C ATOM 650 CD ARG A 46 -4.134 -13.635 -4.739 1.00 0.00 C ATOM 651 NE ARG A 46 -3.589 -14.580 -3.768 1.00 0.00 N ATOM 652 CZ ARG A 46 -4.065 -15.808 -3.592 1.00 0.00 C ATOM 653 NH1 ARG A 46 -5.089 -16.236 -4.317 1.00 0.00 N ATOM 654 NH2 ARG A 46 -3.515 -16.610 -2.689 1.00 0.00 N ATOM 0 H ARG A 46 -1.928 -11.444 -1.947 1.00 0.00 H new ATOM 0 HA ARG A 46 -3.898 -9.706 -3.266 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -3.970 -12.594 -2.309 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -5.341 -11.762 -3.017 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -4.208 -11.526 -5.141 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -2.688 -12.072 -4.460 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -5.219 -13.735 -4.773 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -3.760 -13.880 -5.733 1.00 0.00 H new ATOM 0 HE ARG A 46 -2.801 -14.281 -3.194 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -5.514 -15.622 -5.012 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -5.452 -17.179 -4.180 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -2.727 -16.284 -2.130 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -3.881 -17.553 -2.554 1.00 0.00 H new ATOM 668 N TYR A 47 -3.933 -8.969 -0.634 1.00 0.00 N ATOM 669 CA TYR A 47 -4.500 -8.481 0.618 1.00 0.00 C ATOM 670 C TYR A 47 -5.360 -7.243 0.381 1.00 0.00 C ATOM 671 O TYR A 47 -5.388 -6.693 -0.720 1.00 0.00 O ATOM 672 CB TYR A 47 -3.387 -8.160 1.616 1.00 0.00 C ATOM 673 CG TYR A 47 -2.571 -9.366 2.023 1.00 0.00 C ATOM 674 CD1 TYR A 47 -1.637 -9.922 1.158 1.00 0.00 C ATOM 675 CD2 TYR A 47 -2.734 -9.949 3.273 1.00 0.00 C ATOM 676 CE1 TYR A 47 -0.890 -11.025 1.525 1.00 0.00 C ATOM 677 CE2 TYR A 47 -1.991 -11.051 3.650 1.00 0.00 C ATOM 678 CZ TYR A 47 -1.071 -11.585 2.772 1.00 0.00 C ATOM 679 OH TYR A 47 -0.328 -12.683 3.143 1.00 0.00 O ATOM 0 H TYR A 47 -3.180 -8.392 -1.009 1.00 0.00 H new ATOM 0 HA TYR A 47 -5.133 -9.267 1.031 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -2.723 -7.414 1.179 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -3.828 -7.713 2.507 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -1.492 -9.484 0.181 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -3.454 -9.534 3.962 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -0.169 -11.446 0.840 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -2.130 -11.492 4.626 1.00 0.00 H new ATOM 0 HH TYR A 47 -0.576 -12.954 4.052 1.00 0.00 H new ATOM 689 N THR A 48 -6.060 -6.809 1.424 1.00 0.00 N ATOM 690 CA THR A 48 -6.921 -5.636 1.331 1.00 0.00 C ATOM 691 C THR A 48 -6.603 -4.632 2.433 1.00 0.00 C ATOM 692 O THR A 48 -5.891 -4.947 3.388 1.00 0.00 O ATOM 693 CB THR A 48 -8.409 -6.024 1.420 1.00 0.00 C ATOM 694 OG1 THR A 48 -9.216 -5.013 0.806 1.00 0.00 O ATOM 695 CG2 THR A 48 -8.835 -6.209 2.869 1.00 0.00 C ATOM 0 H THR A 48 -6.048 -7.252 2.343 1.00 0.00 H new ATOM 0 HA THR A 48 -6.729 -5.179 0.360 1.00 0.00 H new ATOM 0 HB THR A 48 -8.547 -6.969 0.894 1.00 0.00 H new ATOM 0 HG1 THR A 48 -10.160 -5.268 0.865 1.00 0.00 H new ATOM 0 HG21 THR A 48 -9.889 -6.483 2.906 1.00 0.00 H new ATOM 0 HG22 THR A 48 -8.239 -6.999 3.325 1.00 0.00 H new ATOM 0 HG23 THR A 48 -8.682 -5.278 3.415 1.00 0.00 H new ATOM 703 N LEU A 49 -7.134 -3.422 2.296 1.00 0.00 N ATOM 704 CA LEU A 49 -6.907 -2.370 3.281 1.00 0.00 C ATOM 705 C LEU A 49 -8.161 -2.124 4.114 1.00 0.00 C ATOM 706 O LEU A 49 -9.254 -1.957 3.573 1.00 0.00 O ATOM 707 CB LEU A 49 -6.481 -1.076 2.585 1.00 0.00 C ATOM 708 CG LEU A 49 -5.102 -1.092 1.924 1.00 0.00 C ATOM 709 CD1 LEU A 49 -5.070 -0.145 0.735 1.00 0.00 C ATOM 710 CD2 LEU A 49 -4.023 -0.724 2.932 1.00 0.00 C ATOM 0 H LEU A 49 -7.725 -3.145 1.512 1.00 0.00 H new ATOM 0 HA LEU A 49 -6.109 -2.697 3.948 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.224 -0.835 1.824 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -6.501 -0.269 3.318 1.00 0.00 H new ATOM 0 HG LEU A 49 -4.904 -2.101 1.563 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.081 -0.169 0.277 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.816 -0.454 0.003 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.289 0.868 1.071 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -3.048 -0.741 2.444 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.216 0.275 3.323 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -4.031 -1.442 3.752 1.00 0.00 H new ATOM 722 N ILE A 50 -7.994 -2.102 5.432 1.00 0.00 N ATOM 723 CA ILE A 50 -9.112 -1.872 6.339 1.00 0.00 C ATOM 724 C ILE A 50 -8.867 -0.648 7.215 1.00 0.00 C ATOM 725 O ILE A 50 -7.762 -0.442 7.714 1.00 0.00 O ATOM 726 CB ILE A 50 -9.364 -3.094 7.242 1.00 0.00 C ATOM 727 CG1 ILE A 50 -9.912 -4.261 6.418 1.00 0.00 C ATOM 728 CG2 ILE A 50 -10.326 -2.734 8.365 1.00 0.00 C ATOM 729 CD1 ILE A 50 -9.769 -5.603 7.101 1.00 0.00 C ATOM 0 H ILE A 50 -7.096 -2.241 5.895 1.00 0.00 H new ATOM 0 HA ILE A 50 -9.992 -1.701 5.719 1.00 0.00 H new ATOM 0 HB ILE A 50 -8.417 -3.400 7.685 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -10.966 -4.081 6.205 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -9.394 -4.293 5.460 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -10.494 -3.608 8.994 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -9.900 -1.931 8.966 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -11.274 -2.405 7.940 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -10.178 -6.383 6.459 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -8.715 -5.805 7.290 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -10.311 -5.590 8.047 1.00 0.00 H new ATOM 741 N GLU A 51 -9.908 0.159 7.399 1.00 0.00 N ATOM 742 CA GLU A 51 -9.805 1.362 8.216 1.00 0.00 C ATOM 743 C GLU A 51 -10.542 1.185 9.540 1.00 0.00 C ATOM 744 O GLU A 51 -11.730 0.860 9.565 1.00 0.00 O ATOM 745 CB GLU A 51 -10.371 2.567 7.462 1.00 0.00 C ATOM 746 CG GLU A 51 -9.345 3.280 6.597 1.00 0.00 C ATOM 747 CD GLU A 51 -9.228 2.674 5.212 1.00 0.00 C ATOM 748 OE1 GLU A 51 -9.485 1.460 5.073 1.00 0.00 O ATOM 749 OE2 GLU A 51 -8.880 3.414 4.268 1.00 0.00 O ATOM 0 H GLU A 51 -10.831 0.001 6.994 1.00 0.00 H new ATOM 0 HA GLU A 51 -8.750 1.537 8.428 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -11.197 2.236 6.833 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -10.782 3.275 8.182 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -9.618 4.331 6.508 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -8.373 3.244 7.089 1.00 0.00 H new ATOM 756 N LYS A 52 -9.829 1.399 10.641 1.00 0.00 N ATOM 757 CA LYS A 52 -10.413 1.265 11.970 1.00 0.00 C ATOM 758 C LYS A 52 -10.513 2.621 12.660 1.00 0.00 C ATOM 759 O LYS A 52 -9.513 3.323 12.817 1.00 0.00 O ATOM 760 CB LYS A 52 -9.578 0.307 12.822 1.00 0.00 C ATOM 761 CG LYS A 52 -10.375 -0.396 13.907 1.00 0.00 C ATOM 762 CD LYS A 52 -9.681 -1.662 14.378 1.00 0.00 C ATOM 763 CE LYS A 52 -10.040 -1.991 15.819 1.00 0.00 C ATOM 764 NZ LYS A 52 -9.272 -3.161 16.329 1.00 0.00 N ATOM 0 H LYS A 52 -8.845 1.666 10.639 1.00 0.00 H new ATOM 0 HA LYS A 52 -11.419 0.860 11.858 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -9.125 -0.442 12.173 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -8.762 0.863 13.285 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -10.515 0.279 14.752 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -11.367 -0.643 13.529 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -9.962 -2.494 13.733 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -8.601 -1.541 14.289 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -9.842 -1.124 16.449 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -11.108 -2.199 15.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -9.545 -3.353 17.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -9.480 -3.995 15.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -8.254 -2.953 16.286 1.00 0.00 H new ATOM 778 N TRP A 53 -11.722 2.983 13.072 1.00 0.00 N ATOM 779 CA TRP A 53 -11.951 4.255 13.748 1.00 0.00 C ATOM 780 C TRP A 53 -13.163 4.172 14.668 1.00 0.00 C ATOM 781 O TRP A 53 -14.284 3.939 14.215 1.00 0.00 O ATOM 782 CB TRP A 53 -12.149 5.372 12.722 1.00 0.00 C ATOM 783 CG TRP A 53 -12.122 6.744 13.325 1.00 0.00 C ATOM 784 CD1 TRP A 53 -11.016 7.486 13.624 1.00 0.00 C ATOM 785 CD2 TRP A 53 -13.254 7.536 13.703 1.00 0.00 C ATOM 786 NE1 TRP A 53 -11.391 8.692 14.166 1.00 0.00 N ATOM 787 CE2 TRP A 53 -12.758 8.747 14.225 1.00 0.00 C ATOM 788 CE3 TRP A 53 -14.636 7.341 13.651 1.00 0.00 C ATOM 789 CZ2 TRP A 53 -13.598 9.755 14.690 1.00 0.00 C ATOM 790 CZ3 TRP A 53 -15.468 8.342 14.113 1.00 0.00 C ATOM 791 CH2 TRP A 53 -14.947 9.538 14.627 1.00 0.00 C ATOM 0 H TRP A 53 -12.560 2.414 12.950 1.00 0.00 H new ATOM 0 HA TRP A 53 -11.073 4.479 14.354 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -11.370 5.301 11.963 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -13.102 5.225 12.214 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -9.996 7.172 13.459 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -10.754 9.427 14.474 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -15.047 6.423 13.256 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -13.198 10.677 15.087 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -16.538 8.201 14.078 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -15.624 10.302 14.980 1.00 0.00 H new ATOM 802 N ARG A 54 -12.932 4.365 15.963 1.00 0.00 N ATOM 803 CA ARG A 54 -14.007 4.311 16.947 1.00 0.00 C ATOM 804 C ARG A 54 -14.726 2.966 16.893 1.00 0.00 C ATOM 805 O ARG A 54 -15.955 2.907 16.926 1.00 0.00 O ATOM 806 CB ARG A 54 -15.005 5.445 16.707 1.00 0.00 C ATOM 807 CG ARG A 54 -14.572 6.774 17.305 1.00 0.00 C ATOM 808 CD ARG A 54 -14.924 6.862 18.781 1.00 0.00 C ATOM 809 NE ARG A 54 -16.364 6.770 19.007 1.00 0.00 N ATOM 810 CZ ARG A 54 -16.942 7.016 20.178 1.00 0.00 C ATOM 811 NH1 ARG A 54 -16.206 7.367 21.223 1.00 0.00 N ATOM 812 NH2 ARG A 54 -18.259 6.912 20.304 1.00 0.00 N ATOM 0 H ARG A 54 -12.011 4.560 16.355 1.00 0.00 H new ATOM 0 HA ARG A 54 -13.566 4.429 17.937 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -15.150 5.569 15.634 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -15.970 5.164 17.129 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -13.496 6.898 17.178 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -15.053 7.590 16.766 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -14.420 6.061 19.322 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -14.553 7.803 19.187 1.00 0.00 H new ATOM 0 HE ARG A 54 -16.959 6.502 18.223 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -15.194 7.449 21.129 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -16.652 7.555 22.121 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -18.828 6.643 19.502 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -18.702 7.101 21.203 1.00 0.00 H new ATOM 826 N ASP A 55 -13.952 1.890 16.811 1.00 0.00 N ATOM 827 CA ASP A 55 -14.514 0.546 16.753 1.00 0.00 C ATOM 828 C ASP A 55 -15.334 0.354 15.481 1.00 0.00 C ATOM 829 O ASP A 55 -16.422 -0.222 15.511 1.00 0.00 O ATOM 830 CB ASP A 55 -15.387 0.282 17.981 1.00 0.00 C ATOM 831 CG ASP A 55 -14.672 0.602 19.280 1.00 0.00 C ATOM 832 OD1 ASP A 55 -13.451 0.354 19.360 1.00 0.00 O ATOM 833 OD2 ASP A 55 -15.333 1.099 20.215 1.00 0.00 O ATOM 0 H ASP A 55 -12.933 1.922 16.783 1.00 0.00 H new ATOM 0 HA ASP A 55 -13.689 -0.166 16.743 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -16.295 0.881 17.913 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -15.694 -0.764 17.987 1.00 0.00 H new ATOM 838 N THR A 56 -14.804 0.841 14.363 1.00 0.00 N ATOM 839 CA THR A 56 -15.487 0.725 13.081 1.00 0.00 C ATOM 840 C THR A 56 -14.548 0.194 12.004 1.00 0.00 C ATOM 841 O THR A 56 -13.641 0.896 11.557 1.00 0.00 O ATOM 842 CB THR A 56 -16.059 2.081 12.624 1.00 0.00 C ATOM 843 OG1 THR A 56 -16.864 2.648 13.663 1.00 0.00 O ATOM 844 CG2 THR A 56 -16.891 1.920 11.361 1.00 0.00 C ATOM 0 H THR A 56 -13.904 1.319 14.320 1.00 0.00 H new ATOM 0 HA THR A 56 -16.308 0.022 13.223 1.00 0.00 H new ATOM 0 HB THR A 56 -15.224 2.748 12.407 1.00 0.00 H new ATOM 0 HG1 THR A 56 -16.315 3.245 14.213 1.00 0.00 H new ATOM 0 HG21 THR A 56 -17.284 2.890 11.058 1.00 0.00 H new ATOM 0 HG22 THR A 56 -16.267 1.516 10.564 1.00 0.00 H new ATOM 0 HG23 THR A 56 -17.719 1.238 11.555 1.00 0.00 H new ATOM 852 N GLU A 57 -14.771 -1.049 11.591 1.00 0.00 N ATOM 853 CA GLU A 57 -13.943 -1.673 10.565 1.00 0.00 C ATOM 854 C GLU A 57 -14.685 -1.740 9.233 1.00 0.00 C ATOM 855 O GLU A 57 -15.784 -2.288 9.149 1.00 0.00 O ATOM 856 CB GLU A 57 -13.528 -3.080 11.001 1.00 0.00 C ATOM 857 CG GLU A 57 -12.250 -3.110 11.822 1.00 0.00 C ATOM 858 CD GLU A 57 -12.096 -4.393 12.616 1.00 0.00 C ATOM 859 OE1 GLU A 57 -12.869 -4.593 13.576 1.00 0.00 O ATOM 860 OE2 GLU A 57 -11.204 -5.198 12.276 1.00 0.00 O ATOM 0 H GLU A 57 -15.517 -1.644 11.950 1.00 0.00 H new ATOM 0 HA GLU A 57 -13.050 -1.062 10.433 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -14.335 -3.523 11.584 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -13.396 -3.702 10.115 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -11.393 -2.993 11.158 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -12.242 -2.261 12.506 1.00 0.00 H new ATOM 867 N ARG A 58 -14.076 -1.176 8.195 1.00 0.00 N ATOM 868 CA ARG A 58 -14.678 -1.169 6.867 1.00 0.00 C ATOM 869 C ARG A 58 -13.686 -1.661 5.818 1.00 0.00 C ATOM 870 O ARG A 58 -12.487 -1.392 5.907 1.00 0.00 O ATOM 871 CB ARG A 58 -15.159 0.238 6.510 1.00 0.00 C ATOM 872 CG ARG A 58 -15.562 0.392 5.052 1.00 0.00 C ATOM 873 CD ARG A 58 -15.979 1.820 4.737 1.00 0.00 C ATOM 874 NE ARG A 58 -17.186 2.210 5.462 1.00 0.00 N ATOM 875 CZ ARG A 58 -17.513 3.472 5.718 1.00 0.00 C ATOM 876 NH1 ARG A 58 -16.729 4.460 5.310 1.00 0.00 N ATOM 877 NH2 ARG A 58 -18.628 3.747 6.383 1.00 0.00 N ATOM 0 H ARG A 58 -13.166 -0.718 8.248 1.00 0.00 H new ATOM 0 HA ARG A 58 -15.533 -1.846 6.879 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -16.009 0.493 7.142 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -14.367 0.952 6.737 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -14.728 0.105 4.411 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -16.385 -0.286 4.827 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -15.166 2.500 4.993 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -16.152 1.919 3.665 1.00 0.00 H new ATOM 0 HE ARG A 58 -17.811 1.474 5.789 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -15.872 4.252 4.798 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -16.983 5.428 5.508 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -19.234 2.989 6.698 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -18.879 4.716 6.579 1.00 0.00 H new ATOM 891 N HIS A 59 -14.193 -2.384 4.824 1.00 0.00 N ATOM 892 CA HIS A 59 -13.351 -2.914 3.757 1.00 0.00 C ATOM 893 C HIS A 59 -13.413 -2.021 2.522 1.00 0.00 C ATOM 894 O HIS A 59 -14.487 -1.568 2.124 1.00 0.00 O ATOM 895 CB HIS A 59 -13.784 -4.335 3.396 1.00 0.00 C ATOM 896 CG HIS A 59 -13.482 -5.343 4.462 1.00 0.00 C ATOM 897 ND1 HIS A 59 -12.855 -6.544 4.206 1.00 0.00 N ATOM 898 CD2 HIS A 59 -13.723 -5.322 5.793 1.00 0.00 C ATOM 899 CE1 HIS A 59 -12.726 -7.219 5.334 1.00 0.00 C ATOM 900 NE2 HIS A 59 -13.244 -6.499 6.313 1.00 0.00 N ATOM 0 H HIS A 59 -15.182 -2.616 4.735 1.00 0.00 H new ATOM 0 HA HIS A 59 -12.322 -2.936 4.116 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -14.856 -4.340 3.196 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -13.287 -4.634 2.473 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -14.203 -4.527 6.344 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -12.274 -8.194 5.438 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -13.282 -6.773 7.295 1.00 0.00 H new ATOM 909 N LEU A 60 -12.256 -1.771 1.920 1.00 0.00 N ATOM 910 CA LEU A 60 -12.178 -0.931 0.730 1.00 0.00 C ATOM 911 C LEU A 60 -12.331 -1.766 -0.537 1.00 0.00 C ATOM 912 O LEU A 60 -12.509 -2.982 -0.473 1.00 0.00 O ATOM 913 CB LEU A 60 -10.848 -0.177 0.700 1.00 0.00 C ATOM 914 CG LEU A 60 -10.621 0.830 1.828 1.00 0.00 C ATOM 915 CD1 LEU A 60 -9.206 1.385 1.771 1.00 0.00 C ATOM 916 CD2 LEU A 60 -11.641 1.956 1.753 1.00 0.00 C ATOM 0 H LEU A 60 -11.358 -2.138 2.236 1.00 0.00 H new ATOM 0 HA LEU A 60 -12.996 -0.211 0.769 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -10.039 -0.907 0.724 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -10.774 0.350 -0.251 1.00 0.00 H new ATOM 0 HG LEU A 60 -10.749 0.315 2.780 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -9.063 2.100 2.581 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -8.491 0.569 1.876 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -9.049 1.884 0.815 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -11.463 2.663 2.564 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -11.546 2.470 0.796 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -12.646 1.543 1.845 1.00 0.00 H new ATOM 928 N ALA A 61 -12.259 -1.105 -1.688 1.00 0.00 N ATOM 929 CA ALA A 61 -12.386 -1.787 -2.970 1.00 0.00 C ATOM 930 C ALA A 61 -11.041 -1.867 -3.684 1.00 0.00 C ATOM 931 O ALA A 61 -10.203 -0.970 -3.585 1.00 0.00 O ATOM 932 CB ALA A 61 -13.409 -1.079 -3.846 1.00 0.00 C ATOM 0 H ALA A 61 -12.113 -0.098 -1.759 1.00 0.00 H new ATOM 0 HA ALA A 61 -12.729 -2.804 -2.780 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -13.493 -1.599 -4.800 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -14.378 -1.078 -3.346 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -13.090 -0.051 -4.020 1.00 0.00 H new ATOM 938 N PRO A 62 -10.825 -2.967 -4.421 1.00 0.00 N ATOM 939 CA PRO A 62 -9.583 -3.190 -5.166 1.00 0.00 C ATOM 940 C PRO A 62 -9.443 -2.247 -6.355 1.00 0.00 C ATOM 941 O PRO A 62 -8.345 -2.051 -6.879 1.00 0.00 O ATOM 942 CB PRO A 62 -9.711 -4.639 -5.644 1.00 0.00 C ATOM 943 CG PRO A 62 -11.179 -4.892 -5.696 1.00 0.00 C ATOM 944 CD PRO A 62 -11.779 -4.077 -4.584 1.00 0.00 C ATOM 0 HA PRO A 62 -8.701 -3.006 -4.552 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -9.251 -4.775 -6.623 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -9.215 -5.327 -4.960 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -11.592 -4.599 -6.661 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -11.397 -5.952 -5.565 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -12.775 -3.716 -4.842 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -11.879 -4.659 -3.668 1.00 0.00 H new ATOM 952 N HIS A 63 -10.560 -1.664 -6.778 1.00 0.00 N ATOM 953 CA HIS A 63 -10.561 -0.740 -7.906 1.00 0.00 C ATOM 954 C HIS A 63 -10.634 0.706 -7.424 1.00 0.00 C ATOM 955 O HIS A 63 -10.724 1.633 -8.227 1.00 0.00 O ATOM 956 CB HIS A 63 -11.736 -1.040 -8.837 1.00 0.00 C ATOM 957 CG HIS A 63 -13.009 -1.354 -8.113 1.00 0.00 C ATOM 958 ND1 HIS A 63 -13.828 -0.384 -7.575 1.00 0.00 N ATOM 959 CD2 HIS A 63 -13.603 -2.539 -7.841 1.00 0.00 C ATOM 960 CE1 HIS A 63 -14.870 -0.959 -7.001 1.00 0.00 C ATOM 961 NE2 HIS A 63 -14.758 -2.267 -7.149 1.00 0.00 N ATOM 0 H HIS A 63 -11.476 -1.815 -6.356 1.00 0.00 H new ATOM 0 HA HIS A 63 -9.629 -0.874 -8.455 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -11.901 -0.182 -9.489 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -11.475 -1.882 -9.478 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -13.237 -3.517 -8.117 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -15.676 -0.447 -6.497 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -15.421 -2.962 -6.805 1.00 0.00 H new ATOM 970 N GLU A 64 -10.596 0.888 -6.108 1.00 0.00 N ATOM 971 CA GLU A 64 -10.660 2.221 -5.520 1.00 0.00 C ATOM 972 C GLU A 64 -9.265 2.728 -5.169 1.00 0.00 C ATOM 973 O GLU A 64 -8.281 1.997 -5.277 1.00 0.00 O ATOM 974 CB GLU A 64 -11.540 2.209 -4.268 1.00 0.00 C ATOM 975 CG GLU A 64 -13.026 2.107 -4.570 1.00 0.00 C ATOM 976 CD GLU A 64 -13.599 3.396 -5.125 1.00 0.00 C ATOM 977 OE1 GLU A 64 -13.713 4.374 -4.356 1.00 0.00 O ATOM 978 OE2 GLU A 64 -13.934 3.428 -6.328 1.00 0.00 O ATOM 0 H GLU A 64 -10.521 0.130 -5.429 1.00 0.00 H new ATOM 0 HA GLU A 64 -11.098 2.894 -6.257 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -11.248 1.370 -3.637 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -11.356 3.118 -3.696 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -13.193 1.302 -5.286 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -13.560 1.839 -3.659 1.00 0.00 H new ATOM 985 N ASN A 65 -9.187 3.987 -4.747 1.00 0.00 N ATOM 986 CA ASN A 65 -7.912 4.593 -4.381 1.00 0.00 C ATOM 987 C ASN A 65 -7.849 4.862 -2.881 1.00 0.00 C ATOM 988 O ASN A 65 -8.837 5.240 -2.251 1.00 0.00 O ATOM 989 CB ASN A 65 -7.704 5.897 -5.154 1.00 0.00 C ATOM 990 CG ASN A 65 -7.385 5.657 -6.617 1.00 0.00 C ATOM 991 OD1 ASN A 65 -6.317 5.146 -6.956 1.00 0.00 O ATOM 992 ND2 ASN A 65 -8.313 6.025 -7.493 1.00 0.00 N ATOM 0 H ASN A 65 -9.992 4.606 -4.650 1.00 0.00 H new ATOM 0 HA ASN A 65 -7.117 3.894 -4.640 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -8.602 6.509 -5.077 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -6.892 6.462 -4.696 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -8.155 5.888 -8.491 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -9.184 6.445 -7.167 1.00 0.00 H new ATOM 999 N PRO A 66 -6.660 4.665 -2.294 1.00 0.00 N ATOM 1000 CA PRO A 66 -6.438 4.881 -0.861 1.00 0.00 C ATOM 1001 C PRO A 66 -6.489 6.358 -0.483 1.00 0.00 C ATOM 1002 O PRO A 66 -7.200 6.746 0.444 1.00 0.00 O ATOM 1003 CB PRO A 66 -5.034 4.318 -0.630 1.00 0.00 C ATOM 1004 CG PRO A 66 -4.361 4.422 -1.955 1.00 0.00 C ATOM 1005 CD PRO A 66 -5.439 4.215 -2.984 1.00 0.00 C ATOM 0 HA PRO A 66 -7.208 4.405 -0.253 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -4.500 4.887 0.131 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -5.074 3.284 -0.286 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -3.887 5.396 -2.077 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -3.577 3.671 -2.055 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -5.250 4.796 -3.887 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -5.510 3.170 -3.287 1.00 0.00 H new ATOM 1013 N ILE A 67 -5.732 7.175 -1.207 1.00 0.00 N ATOM 1014 CA ILE A 67 -5.693 8.609 -0.948 1.00 0.00 C ATOM 1015 C ILE A 67 -7.098 9.202 -0.925 1.00 0.00 C ATOM 1016 O ILE A 67 -7.584 9.631 0.121 1.00 0.00 O ATOM 1017 CB ILE A 67 -4.852 9.349 -2.004 1.00 0.00 C ATOM 1018 CG1 ILE A 67 -3.435 8.775 -2.054 1.00 0.00 C ATOM 1019 CG2 ILE A 67 -4.815 10.840 -1.702 1.00 0.00 C ATOM 1020 CD1 ILE A 67 -2.608 9.098 -0.829 1.00 0.00 C ATOM 0 H ILE A 67 -5.138 6.869 -1.977 1.00 0.00 H new ATOM 0 HA ILE A 67 -5.230 8.741 0.030 1.00 0.00 H new ATOM 0 HB ILE A 67 -5.316 9.207 -2.980 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -3.494 7.693 -2.167 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -2.927 9.161 -2.938 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -4.217 11.349 -2.457 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -5.829 11.239 -1.713 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -4.372 11.001 -0.719 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -1.616 8.659 -0.934 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -2.518 10.179 -0.726 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -3.094 8.688 0.056 1.00 0.00 H new ATOM 1032 N ILE A 68 -7.744 9.221 -2.086 1.00 0.00 N ATOM 1033 CA ILE A 68 -9.094 9.759 -2.199 1.00 0.00 C ATOM 1034 C ILE A 68 -9.997 9.213 -1.098 1.00 0.00 C ATOM 1035 O ILE A 68 -10.514 9.967 -0.274 1.00 0.00 O ATOM 1036 CB ILE A 68 -9.718 9.431 -3.568 1.00 0.00 C ATOM 1037 CG1 ILE A 68 -8.889 10.054 -4.693 1.00 0.00 C ATOM 1038 CG2 ILE A 68 -11.156 9.925 -3.627 1.00 0.00 C ATOM 1039 CD1 ILE A 68 -7.729 9.190 -5.138 1.00 0.00 C ATOM 0 H ILE A 68 -7.355 8.870 -2.961 1.00 0.00 H new ATOM 0 HA ILE A 68 -9.012 10.841 -2.096 1.00 0.00 H new ATOM 0 HB ILE A 68 -9.720 8.349 -3.700 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -9.537 10.246 -5.548 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -8.506 11.019 -4.360 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -11.583 9.686 -4.601 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -11.740 9.439 -2.845 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -11.176 11.004 -3.477 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -7.186 9.694 -5.937 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -7.059 9.019 -4.296 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -8.106 8.234 -5.502 1.00 0.00 H new ATOM 1051 N SER A 69 -10.181 7.896 -1.089 1.00 0.00 N ATOM 1052 CA SER A 69 -11.023 7.249 -0.090 1.00 0.00 C ATOM 1053 C SER A 69 -10.844 7.901 1.277 1.00 0.00 C ATOM 1054 O SER A 69 -11.746 8.571 1.782 1.00 0.00 O ATOM 1055 CB SER A 69 -10.693 5.757 -0.004 1.00 0.00 C ATOM 1056 OG SER A 69 -11.161 5.064 -1.147 1.00 0.00 O ATOM 0 H SER A 69 -9.758 7.257 -1.762 1.00 0.00 H new ATOM 0 HA SER A 69 -12.063 7.367 -0.395 1.00 0.00 H new ATOM 0 HB2 SER A 69 -9.615 5.625 0.089 1.00 0.00 H new ATOM 0 HB3 SER A 69 -11.145 5.333 0.893 1.00 0.00 H new ATOM 0 HG SER A 69 -10.495 5.127 -1.863 1.00 0.00 H new ATOM 1062 N LEU A 70 -9.673 7.701 1.872 1.00 0.00 N ATOM 1063 CA LEU A 70 -9.373 8.269 3.182 1.00 0.00 C ATOM 1064 C LEU A 70 -9.652 9.769 3.201 1.00 0.00 C ATOM 1065 O LEU A 70 -10.207 10.294 4.166 1.00 0.00 O ATOM 1066 CB LEU A 70 -7.912 8.006 3.551 1.00 0.00 C ATOM 1067 CG LEU A 70 -7.514 8.335 4.991 1.00 0.00 C ATOM 1068 CD1 LEU A 70 -8.138 7.341 5.958 1.00 0.00 C ATOM 1069 CD2 LEU A 70 -6.000 8.345 5.136 1.00 0.00 C ATOM 0 H LEU A 70 -8.916 7.150 1.468 1.00 0.00 H new ATOM 0 HA LEU A 70 -10.019 7.788 3.916 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -7.695 6.954 3.367 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -7.278 8.585 2.879 1.00 0.00 H new ATOM 0 HG LEU A 70 -7.889 9.329 5.233 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -7.844 7.591 6.977 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -9.224 7.383 5.873 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -7.794 6.335 5.718 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -5.735 8.581 6.167 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -5.603 7.364 4.874 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -5.576 9.097 4.471 1.00 0.00 H new ATOM 1081 N ASN A 71 -9.265 10.452 2.129 1.00 0.00 N ATOM 1082 CA ASN A 71 -9.475 11.891 2.022 1.00 0.00 C ATOM 1083 C ASN A 71 -10.841 12.284 2.577 1.00 0.00 C ATOM 1084 O ASN A 71 -10.973 13.282 3.285 1.00 0.00 O ATOM 1085 CB ASN A 71 -9.356 12.338 0.564 1.00 0.00 C ATOM 1086 CG ASN A 71 -8.879 13.772 0.436 1.00 0.00 C ATOM 1087 OD1 ASN A 71 -9.667 14.712 0.544 1.00 0.00 O ATOM 1088 ND2 ASN A 71 -7.583 13.946 0.205 1.00 0.00 N ATOM 0 H ASN A 71 -8.804 10.032 1.322 1.00 0.00 H new ATOM 0 HA ASN A 71 -8.706 12.390 2.611 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -8.663 11.679 0.040 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -10.325 12.235 0.075 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -7.204 14.888 0.110 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -6.967 13.138 0.123 1.00 0.00 H new ATOM 1095 N LYS A 72 -11.856 11.491 2.250 1.00 0.00 N ATOM 1096 CA LYS A 72 -13.213 11.753 2.716 1.00 0.00 C ATOM 1097 C LYS A 72 -13.201 12.342 4.123 1.00 0.00 C ATOM 1098 O LYS A 72 -13.665 13.461 4.341 1.00 0.00 O ATOM 1099 CB LYS A 72 -14.038 10.464 2.698 1.00 0.00 C ATOM 1100 CG LYS A 72 -14.567 10.100 1.321 1.00 0.00 C ATOM 1101 CD LYS A 72 -15.740 9.139 1.411 1.00 0.00 C ATOM 1102 CE LYS A 72 -17.050 9.877 1.641 1.00 0.00 C ATOM 1103 NZ LYS A 72 -18.216 8.951 1.649 1.00 0.00 N ATOM 0 H LYS A 72 -11.765 10.661 1.664 1.00 0.00 H new ATOM 0 HA LYS A 72 -13.668 12.478 2.042 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -13.424 9.644 3.071 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -14.878 10.570 3.384 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -14.876 11.005 0.798 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -13.769 9.648 0.732 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -15.806 8.557 0.492 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -15.571 8.433 2.224 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -17.004 10.411 2.590 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -17.187 10.626 0.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -19.089 9.493 1.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -18.276 8.460 0.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -18.099 8.252 2.410 1.00 0.00 H new ATOM 1117 N TRP A 73 -12.667 11.582 5.072 1.00 0.00 N ATOM 1118 CA TRP A 73 -12.594 12.030 6.458 1.00 0.00 C ATOM 1119 C TRP A 73 -12.000 13.432 6.547 1.00 0.00 C ATOM 1120 O TRP A 73 -12.559 14.313 7.198 1.00 0.00 O ATOM 1121 CB TRP A 73 -11.757 11.055 7.288 1.00 0.00 C ATOM 1122 CG TRP A 73 -12.270 9.648 7.246 1.00 0.00 C ATOM 1123 CD1 TRP A 73 -11.765 8.612 6.513 1.00 0.00 C ATOM 1124 CD2 TRP A 73 -13.389 9.122 7.968 1.00 0.00 C ATOM 1125 NE1 TRP A 73 -12.503 7.475 6.735 1.00 0.00 N ATOM 1126 CE2 TRP A 73 -13.505 7.761 7.624 1.00 0.00 C ATOM 1127 CE3 TRP A 73 -14.304 9.668 8.872 1.00 0.00 C ATOM 1128 CZ2 TRP A 73 -14.499 6.942 8.153 1.00 0.00 C ATOM 1129 CZ3 TRP A 73 -15.291 8.854 9.395 1.00 0.00 C ATOM 1130 CH2 TRP A 73 -15.381 7.503 9.035 1.00 0.00 C ATOM 0 H TRP A 73 -12.278 10.653 4.908 1.00 0.00 H new ATOM 0 HA TRP A 73 -13.608 12.059 6.858 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -10.729 11.070 6.926 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -11.736 11.396 8.323 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -10.911 8.677 5.855 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -12.332 6.565 6.307 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -14.241 10.708 9.157 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -14.571 5.900 7.877 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -16.005 9.266 10.093 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -16.162 6.892 9.463 1.00 0.00 H new ATOM 1141 N GLY A 74 -10.864 13.631 5.886 1.00 0.00 N ATOM 1142 CA GLY A 74 -10.214 14.929 5.903 1.00 0.00 C ATOM 1143 C GLY A 74 -9.648 15.276 7.266 1.00 0.00 C ATOM 1144 O GLY A 74 -8.445 15.154 7.494 1.00 0.00 O ATOM 0 H GLY A 74 -10.382 12.917 5.339 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -9.411 14.939 5.166 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -10.930 15.695 5.605 1.00 0.00 H new ATOM 1148 N GLN A 75 -10.517 15.711 8.173 1.00 0.00 N ATOM 1149 CA GLN A 75 -10.096 16.079 9.519 1.00 0.00 C ATOM 1150 C GLN A 75 -9.942 14.842 10.399 1.00 0.00 C ATOM 1151 O GLN A 75 -9.135 14.826 11.328 1.00 0.00 O ATOM 1152 CB GLN A 75 -11.104 17.043 10.146 1.00 0.00 C ATOM 1153 CG GLN A 75 -12.513 16.480 10.230 1.00 0.00 C ATOM 1154 CD GLN A 75 -13.301 16.684 8.951 1.00 0.00 C ATOM 1155 OE1 GLN A 75 -13.046 17.622 8.195 1.00 0.00 O ATOM 1156 NE2 GLN A 75 -14.264 15.804 8.702 1.00 0.00 N ATOM 0 H GLN A 75 -11.517 15.817 8.000 1.00 0.00 H new ATOM 0 HA GLN A 75 -9.127 16.574 9.447 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -10.767 17.307 11.148 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -11.124 17.964 9.564 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -12.462 15.415 10.454 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -13.041 16.955 11.057 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -14.440 15.042 9.357 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -14.827 15.890 7.856 1.00 0.00 H new ATOM 1165 N TYR A 76 -10.721 13.809 10.099 1.00 0.00 N ATOM 1166 CA TYR A 76 -10.674 12.569 10.864 1.00 0.00 C ATOM 1167 C TYR A 76 -9.914 11.488 10.102 1.00 0.00 C ATOM 1168 O TYR A 76 -10.002 10.304 10.428 1.00 0.00 O ATOM 1169 CB TYR A 76 -12.090 12.086 11.180 1.00 0.00 C ATOM 1170 CG TYR A 76 -12.937 13.116 11.892 1.00 0.00 C ATOM 1171 CD1 TYR A 76 -12.572 13.600 13.142 1.00 0.00 C ATOM 1172 CD2 TYR A 76 -14.102 13.606 11.314 1.00 0.00 C ATOM 1173 CE1 TYR A 76 -13.343 14.542 13.797 1.00 0.00 C ATOM 1174 CE2 TYR A 76 -14.878 14.548 11.961 1.00 0.00 C ATOM 1175 CZ TYR A 76 -14.495 15.013 13.201 1.00 0.00 C ATOM 1176 OH TYR A 76 -15.266 15.951 13.849 1.00 0.00 O ATOM 0 H TYR A 76 -11.393 13.806 9.331 1.00 0.00 H new ATOM 0 HA TYR A 76 -10.148 12.768 11.798 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -12.584 11.802 10.251 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -12.030 11.189 11.796 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -11.670 13.234 13.610 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -14.406 13.244 10.343 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -13.046 14.907 14.769 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -15.780 14.918 11.498 1.00 0.00 H new ATOM 0 HH TYR A 76 -16.041 16.178 13.294 1.00 0.00 H new ATOM 1186 N ALA A 77 -9.165 11.904 9.086 1.00 0.00 N ATOM 1187 CA ALA A 77 -8.387 10.973 8.279 1.00 0.00 C ATOM 1188 C ALA A 77 -7.184 10.446 9.055 1.00 0.00 C ATOM 1189 O ALA A 77 -6.913 9.245 9.057 1.00 0.00 O ATOM 1190 CB ALA A 77 -7.933 11.643 6.990 1.00 0.00 C ATOM 0 H ALA A 77 -9.081 12.880 8.802 1.00 0.00 H new ATOM 0 HA ALA A 77 -9.026 10.126 8.030 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -7.353 10.936 6.397 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -8.805 11.965 6.420 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -7.316 12.509 7.228 1.00 0.00 H new ATOM 1196 N SER A 78 -6.467 11.352 9.712 1.00 0.00 N ATOM 1197 CA SER A 78 -5.290 10.978 10.488 1.00 0.00 C ATOM 1198 C SER A 78 -5.668 10.037 11.628 1.00 0.00 C ATOM 1199 O SER A 78 -4.963 9.066 11.905 1.00 0.00 O ATOM 1200 CB SER A 78 -4.605 12.226 11.048 1.00 0.00 C ATOM 1201 OG SER A 78 -5.464 12.926 11.931 1.00 0.00 O ATOM 0 H SER A 78 -6.680 12.349 9.723 1.00 0.00 H new ATOM 0 HA SER A 78 -4.598 10.459 9.825 1.00 0.00 H new ATOM 0 HB2 SER A 78 -3.694 11.940 11.573 1.00 0.00 H new ATOM 0 HB3 SER A 78 -4.309 12.881 10.229 1.00 0.00 H new ATOM 0 HG SER A 78 -5.002 13.718 12.277 1.00 0.00 H new ATOM 1207 N ASP A 79 -6.784 10.331 12.285 1.00 0.00 N ATOM 1208 CA ASP A 79 -7.258 9.512 13.394 1.00 0.00 C ATOM 1209 C ASP A 79 -7.539 8.085 12.934 1.00 0.00 C ATOM 1210 O ASP A 79 -7.478 7.143 13.725 1.00 0.00 O ATOM 1211 CB ASP A 79 -8.520 10.122 14.005 1.00 0.00 C ATOM 1212 CG ASP A 79 -8.264 11.481 14.626 1.00 0.00 C ATOM 1213 OD1 ASP A 79 -7.226 11.639 15.303 1.00 0.00 O ATOM 1214 OD2 ASP A 79 -9.101 12.388 14.434 1.00 0.00 O ATOM 0 H ASP A 79 -7.378 11.131 12.069 1.00 0.00 H new ATOM 0 HA ASP A 79 -6.475 9.483 14.152 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -9.284 10.216 13.234 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -8.915 9.447 14.764 1.00 0.00 H new ATOM 1219 N VAL A 80 -7.849 7.932 11.651 1.00 0.00 N ATOM 1220 CA VAL A 80 -8.140 6.620 11.085 1.00 0.00 C ATOM 1221 C VAL A 80 -6.859 5.829 10.845 1.00 0.00 C ATOM 1222 O VAL A 80 -5.921 6.324 10.221 1.00 0.00 O ATOM 1223 CB VAL A 80 -8.913 6.740 9.759 1.00 0.00 C ATOM 1224 CG1 VAL A 80 -9.085 5.373 9.115 1.00 0.00 C ATOM 1225 CG2 VAL A 80 -10.263 7.404 9.987 1.00 0.00 C ATOM 0 H VAL A 80 -7.905 8.701 10.983 1.00 0.00 H new ATOM 0 HA VAL A 80 -8.759 6.092 11.811 1.00 0.00 H new ATOM 0 HB VAL A 80 -8.336 7.366 9.078 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -9.634 5.478 8.179 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -8.105 4.939 8.915 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -9.640 4.720 9.789 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -10.796 7.481 9.039 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -10.849 6.806 10.685 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -10.113 8.401 10.400 1.00 0.00 H new ATOM 1235 N GLN A 81 -6.829 4.598 11.343 1.00 0.00 N ATOM 1236 CA GLN A 81 -5.662 3.738 11.183 1.00 0.00 C ATOM 1237 C GLN A 81 -5.930 2.644 10.154 1.00 0.00 C ATOM 1238 O GLN A 81 -6.982 2.005 10.172 1.00 0.00 O ATOM 1239 CB GLN A 81 -5.276 3.110 12.523 1.00 0.00 C ATOM 1240 CG GLN A 81 -4.691 4.104 13.514 1.00 0.00 C ATOM 1241 CD GLN A 81 -3.603 4.965 12.903 1.00 0.00 C ATOM 1242 OE1 GLN A 81 -2.450 4.545 12.794 1.00 0.00 O ATOM 1243 NE2 GLN A 81 -3.964 6.178 12.501 1.00 0.00 N ATOM 0 H GLN A 81 -7.599 4.173 11.860 1.00 0.00 H new ATOM 0 HA GLN A 81 -4.835 4.353 10.827 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -6.158 2.645 12.965 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -4.551 2.315 12.347 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -5.487 4.745 13.892 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -4.284 3.563 14.368 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -4.931 6.485 12.611 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -3.275 6.803 12.083 1.00 0.00 H new ATOM 1252 N LEU A 82 -4.971 2.434 9.258 1.00 0.00 N ATOM 1253 CA LEU A 82 -5.104 1.417 8.221 1.00 0.00 C ATOM 1254 C LEU A 82 -4.414 0.121 8.637 1.00 0.00 C ATOM 1255 O LEU A 82 -3.374 0.145 9.295 1.00 0.00 O ATOM 1256 CB LEU A 82 -4.511 1.923 6.905 1.00 0.00 C ATOM 1257 CG LEU A 82 -5.470 2.681 5.985 1.00 0.00 C ATOM 1258 CD1 LEU A 82 -4.702 3.638 5.086 1.00 0.00 C ATOM 1259 CD2 LEU A 82 -6.292 1.708 5.153 1.00 0.00 C ATOM 0 H LEU A 82 -4.094 2.954 9.229 1.00 0.00 H new ATOM 0 HA LEU A 82 -6.166 1.213 8.081 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -3.669 2.575 7.136 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -4.112 1.069 6.357 1.00 0.00 H new ATOM 0 HG LEU A 82 -6.152 3.264 6.604 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -5.400 4.168 4.439 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -4.159 4.357 5.700 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -3.996 3.076 4.475 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -6.968 2.265 4.505 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -5.626 1.097 4.543 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -6.872 1.063 5.814 1.00 0.00 H new ATOM 1271 N ILE A 83 -4.999 -1.006 8.247 1.00 0.00 N ATOM 1272 CA ILE A 83 -4.439 -2.311 8.577 1.00 0.00 C ATOM 1273 C ILE A 83 -4.459 -3.239 7.368 1.00 0.00 C ATOM 1274 O ILE A 83 -5.462 -3.333 6.659 1.00 0.00 O ATOM 1275 CB ILE A 83 -5.206 -2.977 9.735 1.00 0.00 C ATOM 1276 CG1 ILE A 83 -5.165 -2.089 10.980 1.00 0.00 C ATOM 1277 CG2 ILE A 83 -4.624 -4.349 10.036 1.00 0.00 C ATOM 1278 CD1 ILE A 83 -6.199 -0.985 10.970 1.00 0.00 C ATOM 0 H ILE A 83 -5.861 -1.042 7.702 1.00 0.00 H new ATOM 0 HA ILE A 83 -3.407 -2.143 8.886 1.00 0.00 H new ATOM 0 HB ILE A 83 -6.247 -3.104 9.437 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -5.316 -2.709 11.864 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -4.173 -1.646 11.068 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -5.177 -4.807 10.856 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -4.701 -4.979 9.150 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -3.576 -4.246 10.317 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -6.111 -0.396 11.883 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -6.036 -0.341 10.106 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -7.196 -1.421 10.914 1.00 0.00 H new ATOM 1290 N LEU A 84 -3.345 -3.926 7.138 1.00 0.00 N ATOM 1291 CA LEU A 84 -3.235 -4.851 6.015 1.00 0.00 C ATOM 1292 C LEU A 84 -3.705 -6.247 6.411 1.00 0.00 C ATOM 1293 O LEU A 84 -2.993 -6.982 7.094 1.00 0.00 O ATOM 1294 CB LEU A 84 -1.789 -4.909 5.518 1.00 0.00 C ATOM 1295 CG LEU A 84 -1.560 -5.664 4.208 1.00 0.00 C ATOM 1296 CD1 LEU A 84 -2.290 -4.979 3.063 1.00 0.00 C ATOM 1297 CD2 LEU A 84 -0.072 -5.770 3.907 1.00 0.00 C ATOM 0 H LEU A 84 -2.506 -3.860 7.714 1.00 0.00 H new ATOM 0 HA LEU A 84 -3.875 -4.487 5.212 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -1.427 -3.888 5.394 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -1.178 -5.372 6.293 1.00 0.00 H new ATOM 0 HG LEU A 84 -1.961 -6.672 4.316 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -2.116 -5.530 2.139 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -3.359 -4.955 3.275 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.919 -3.960 2.953 1.00 0.00 H new ATOM 0 HD21 LEU A 84 0.072 -6.310 2.971 1.00 0.00 H new ATOM 0 HD22 LEU A 84 0.353 -4.770 3.818 1.00 0.00 H new ATOM 0 HD23 LEU A 84 0.426 -6.306 4.716 1.00 0.00 H new ATOM 1309 N ARG A 85 -4.908 -6.606 5.974 1.00 0.00 N ATOM 1310 CA ARG A 85 -5.473 -7.914 6.282 1.00 0.00 C ATOM 1311 C ARG A 85 -5.729 -8.710 5.005 1.00 0.00 C ATOM 1312 O ARG A 85 -5.810 -8.143 3.915 1.00 0.00 O ATOM 1313 CB ARG A 85 -6.777 -7.758 7.068 1.00 0.00 C ATOM 1314 CG ARG A 85 -6.568 -7.380 8.525 1.00 0.00 C ATOM 1315 CD ARG A 85 -6.192 -8.590 9.366 1.00 0.00 C ATOM 1316 NE ARG A 85 -4.748 -8.798 9.412 1.00 0.00 N ATOM 1317 CZ ARG A 85 -4.172 -9.827 10.025 1.00 0.00 C ATOM 1318 NH1 ARG A 85 -4.915 -10.736 10.640 1.00 0.00 N ATOM 1319 NH2 ARG A 85 -2.851 -9.947 10.022 1.00 0.00 N ATOM 0 H ARG A 85 -5.510 -6.010 5.406 1.00 0.00 H new ATOM 0 HA ARG A 85 -4.752 -8.459 6.891 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -7.392 -6.996 6.588 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -7.334 -8.694 7.020 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -5.783 -6.627 8.598 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -7.479 -6.930 8.920 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -6.572 -8.459 10.379 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -6.673 -9.479 8.958 1.00 0.00 H new ATOM 0 HE ARG A 85 -4.148 -8.116 8.948 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -5.931 -10.647 10.643 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -4.471 -11.525 11.110 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -2.277 -9.249 9.549 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -2.410 -10.737 10.493 1.00 0.00 H new ATOM 1333 N ARG A 86 -5.854 -10.025 5.148 1.00 0.00 N ATOM 1334 CA ARG A 86 -6.098 -10.898 4.007 1.00 0.00 C ATOM 1335 C ARG A 86 -7.566 -11.309 3.941 1.00 0.00 C ATOM 1336 O ARG A 86 -8.175 -11.644 4.957 1.00 0.00 O ATOM 1337 CB ARG A 86 -5.213 -12.143 4.091 1.00 0.00 C ATOM 1338 CG ARG A 86 -5.496 -13.011 5.307 1.00 0.00 C ATOM 1339 CD ARG A 86 -4.787 -14.352 5.211 1.00 0.00 C ATOM 1340 NE ARG A 86 -5.201 -15.107 4.032 1.00 0.00 N ATOM 1341 CZ ARG A 86 -4.670 -16.273 3.681 1.00 0.00 C ATOM 1342 NH1 ARG A 86 -3.708 -16.815 4.416 1.00 0.00 N ATOM 1343 NH2 ARG A 86 -5.100 -16.900 2.593 1.00 0.00 N ATOM 0 H ARG A 86 -5.790 -10.509 6.043 1.00 0.00 H new ATOM 0 HA ARG A 86 -5.851 -10.346 3.100 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -5.353 -12.739 3.189 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -4.168 -11.835 4.111 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -5.173 -12.491 6.209 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -6.570 -13.172 5.399 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -3.709 -14.191 5.178 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -4.995 -14.937 6.107 1.00 0.00 H new ATOM 0 HE ARG A 86 -5.939 -14.718 3.445 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -3.374 -16.336 5.253 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -3.302 -17.710 4.144 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -5.839 -16.487 2.025 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -4.691 -17.795 2.325 1.00 0.00 H new