USER MOD reduce.3.24.130724 H: found=0, std=0, add=559, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 556 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 Single : A 12 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 14 MET CE :methyl 168:sc=-0.00927 (180deg=-0.205) USER MOD Single : A 15 CYS SG : rot 150:sc= -3.3! USER MOD Single : A 16 MET CE :methyl -166:sc= 0 (180deg=-0.267) USER MOD Single : A 17 GLN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 CYS SG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 35:sc= 0.419 USER MOD Single : A 47 ASN : amide:sc= -0.0102 K(o=-0.01,f=-0.97) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 MET CE :methyl 173:sc= 0 (180deg=-0.043) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0.0447 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 HIS : no HD1:sc= -0.0703 X(o=-0.07,f=-0.061) USER MOD Single : A 68 MET CE :methyl -166:sc= -0.642 (180deg=-1.04) USER MOD Single : A 70 MET CE :methyl -168:sc= 0 (180deg=-0.155) USER MOD Single : A 73 GLN : amide:sc= -0.0717 X(o=-0.072,f=-0.22) USER MOD ----------------------------------------------------------------- ATOM 20 N GLY A 9 1.282 2.331 -0.637 1.00 0.00 N ATOM 21 CA GLY A 9 1.695 3.728 -0.709 1.00 0.00 C ATOM 22 C GLY A 9 1.935 4.304 0.680 1.00 0.00 C ATOM 23 O GLY A 9 2.859 5.091 0.885 1.00 0.00 O ATOM 0 HA2 GLY A 9 2.606 3.810 -1.302 1.00 0.00 H new ATOM 0 HA3 GLY A 9 0.928 4.311 -1.220 1.00 0.00 H new ATOM 27 N TRP A 10 1.098 3.906 1.632 1.00 0.00 N ATOM 28 CA TRP A 10 1.281 4.297 3.025 1.00 0.00 C ATOM 29 C TRP A 10 2.673 3.929 3.522 1.00 0.00 C ATOM 30 O TRP A 10 3.379 4.760 4.093 1.00 0.00 O ATOM 31 CB TRP A 10 0.226 3.629 3.909 1.00 0.00 C ATOM 32 CG TRP A 10 0.293 4.053 5.345 1.00 0.00 C ATOM 33 CD1 TRP A 10 0.886 5.178 5.836 1.00 0.00 C ATOM 34 CD2 TRP A 10 -0.256 3.357 6.490 1.00 0.00 C ATOM 35 NE1 TRP A 10 0.746 5.229 7.201 1.00 0.00 N ATOM 36 CE2 TRP A 10 0.048 4.124 7.618 1.00 0.00 C ATOM 37 CE3 TRP A 10 -0.971 2.163 6.645 1.00 0.00 C ATOM 38 CZ2 TRP A 10 -0.335 3.738 8.893 1.00 0.00 C ATOM 39 CZ3 TRP A 10 -1.357 1.777 7.923 1.00 0.00 C ATOM 40 CH2 TRP A 10 -1.047 2.544 9.018 1.00 0.00 C ATOM 0 H TRP A 10 0.286 3.312 1.464 1.00 0.00 H new ATOM 0 HA TRP A 10 1.168 5.380 3.083 1.00 0.00 H new ATOM 0 HB2 TRP A 10 -0.764 3.860 3.516 1.00 0.00 H new ATOM 0 HB3 TRP A 10 0.348 2.547 3.852 1.00 0.00 H new ATOM 0 HD1 TRP A 10 1.392 5.921 5.238 1.00 0.00 H new ATOM 0 HE1 TRP A 10 1.103 5.968 7.806 1.00 0.00 H new ATOM 0 HE3 TRP A 10 -1.218 1.554 5.788 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 -0.092 4.338 9.757 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 -1.910 0.859 8.057 1.00 0.00 H new ATOM 0 HH2 TRP A 10 -1.361 2.216 9.998 1.00 0.00 H new ATOM 51 N LEU A 11 3.062 2.678 3.302 1.00 0.00 N ATOM 52 CA LEU A 11 4.357 2.187 3.758 1.00 0.00 C ATOM 53 C LEU A 11 5.498 2.872 3.018 1.00 0.00 C ATOM 54 O LEU A 11 6.570 3.096 3.580 1.00 0.00 O ATOM 55 CB LEU A 11 4.449 0.669 3.559 1.00 0.00 C ATOM 56 CG LEU A 11 3.560 -0.178 4.479 1.00 0.00 C ATOM 57 CD1 LEU A 11 3.621 -1.636 4.045 1.00 0.00 C ATOM 58 CD2 LEU A 11 4.021 -0.017 5.920 1.00 0.00 C ATOM 0 H LEU A 11 2.498 1.985 2.810 1.00 0.00 H new ATOM 0 HA LEU A 11 4.447 2.419 4.819 1.00 0.00 H new ATOM 0 HB2 LEU A 11 4.192 0.440 2.525 1.00 0.00 H new ATOM 0 HB3 LEU A 11 5.485 0.364 3.705 1.00 0.00 H new ATOM 0 HG LEU A 11 2.526 0.158 4.409 1.00 0.00 H new ATOM 0 HD11 LEU A 11 2.989 -2.237 4.699 1.00 0.00 H new ATOM 0 HD12 LEU A 11 3.268 -1.725 3.018 1.00 0.00 H new ATOM 0 HD13 LEU A 11 4.650 -1.991 4.107 1.00 0.00 H new ATOM 0 HD21 LEU A 11 3.389 -0.619 6.573 1.00 0.00 H new ATOM 0 HD22 LEU A 11 5.056 -0.348 6.010 1.00 0.00 H new ATOM 0 HD23 LEU A 11 3.949 1.031 6.210 1.00 0.00 H new ATOM 70 N GLN A 12 5.262 3.203 1.753 1.00 0.00 N ATOM 71 CA GLN A 12 6.236 3.942 0.959 1.00 0.00 C ATOM 72 C GLN A 12 6.521 5.309 1.570 1.00 0.00 C ATOM 73 O GLN A 12 7.675 5.728 1.665 1.00 0.00 O ATOM 74 CB GLN A 12 5.741 4.106 -0.480 1.00 0.00 C ATOM 75 CG GLN A 12 5.730 2.817 -1.285 1.00 0.00 C ATOM 76 CD GLN A 12 5.148 3.007 -2.673 1.00 0.00 C ATOM 77 OE1 GLN A 12 4.656 4.086 -3.013 1.00 0.00 O ATOM 78 NE2 GLN A 12 5.201 1.956 -3.484 1.00 0.00 N ATOM 0 H GLN A 12 4.403 2.970 1.255 1.00 0.00 H new ATOM 0 HA GLN A 12 7.163 3.369 0.953 1.00 0.00 H new ATOM 0 HB2 GLN A 12 4.732 4.518 -0.461 1.00 0.00 H new ATOM 0 HB3 GLN A 12 6.373 4.834 -0.989 1.00 0.00 H new ATOM 0 HG2 GLN A 12 6.748 2.436 -1.370 1.00 0.00 H new ATOM 0 HG3 GLN A 12 5.151 2.063 -0.751 1.00 0.00 H new ATOM 0 HE21 GLN A 12 5.617 1.083 -3.161 1.00 0.00 H new ATOM 0 HE22 GLN A 12 4.826 2.022 -4.430 1.00 0.00 H new ATOM 87 N GLU A 13 5.464 5.999 1.982 1.00 0.00 N ATOM 88 CA GLU A 13 5.603 7.284 2.656 1.00 0.00 C ATOM 89 C GLU A 13 6.347 7.135 3.977 1.00 0.00 C ATOM 90 O GLU A 13 7.251 7.913 4.283 1.00 0.00 O ATOM 91 CB GLU A 13 4.228 7.910 2.902 1.00 0.00 C ATOM 92 CG GLU A 13 3.524 8.394 1.642 1.00 0.00 C ATOM 93 CD GLU A 13 2.114 8.848 1.898 1.00 0.00 C ATOM 94 OE1 GLU A 13 1.660 8.716 3.010 1.00 0.00 O ATOM 95 OE2 GLU A 13 1.489 9.327 0.981 1.00 0.00 O1- ATOM 0 H GLU A 13 4.500 5.689 1.861 1.00 0.00 H new ATOM 0 HA GLU A 13 6.183 7.939 2.006 1.00 0.00 H new ATOM 0 HB2 GLU A 13 3.593 7.178 3.400 1.00 0.00 H new ATOM 0 HB3 GLU A 13 4.342 8.751 3.586 1.00 0.00 H new ATOM 0 HG2 GLU A 13 4.092 9.217 1.208 1.00 0.00 H new ATOM 0 HG3 GLU A 13 3.514 7.590 0.906 1.00 0.00 H new ATOM 102 N MET A 14 5.961 6.132 4.758 1.00 0.00 N ATOM 103 CA MET A 14 6.624 5.848 6.025 1.00 0.00 C ATOM 104 C MET A 14 8.111 5.583 5.821 1.00 0.00 C ATOM 105 O MET A 14 8.948 6.079 6.575 1.00 0.00 O ATOM 106 CB MET A 14 5.960 4.657 6.713 1.00 0.00 C ATOM 107 CG MET A 14 4.555 4.932 7.231 1.00 0.00 C ATOM 108 SD MET A 14 3.732 3.444 7.832 1.00 0.00 S ATOM 109 CE MET A 14 4.724 3.067 9.273 1.00 0.00 C ATOM 0 H MET A 14 5.191 5.501 4.535 1.00 0.00 H new ATOM 0 HA MET A 14 6.524 6.726 6.664 1.00 0.00 H new ATOM 0 HB2 MET A 14 5.919 3.824 6.011 1.00 0.00 H new ATOM 0 HB3 MET A 14 6.586 4.340 7.547 1.00 0.00 H new ATOM 0 HG2 MET A 14 4.606 5.665 8.036 1.00 0.00 H new ATOM 0 HG3 MET A 14 3.958 5.376 6.434 1.00 0.00 H new ATOM 0 HE1 MET A 14 4.222 2.307 9.872 1.00 0.00 H new ATOM 0 HE2 MET A 14 5.698 2.695 8.957 1.00 0.00 H new ATOM 0 HE3 MET A 14 4.857 3.969 9.870 1.00 0.00 H new ATOM 119 N CYS A 15 8.432 4.798 4.798 1.00 0.00 N ATOM 120 CA CYS A 15 9.820 4.487 4.479 1.00 0.00 C ATOM 121 C CYS A 15 10.624 5.754 4.219 1.00 0.00 C ATOM 122 O CYS A 15 11.689 5.955 4.801 1.00 0.00 O ATOM 123 CB CYS A 15 9.898 3.579 3.251 1.00 0.00 C ATOM 124 SG CYS A 15 11.581 3.095 2.796 1.00 0.00 S ATOM 0 H CYS A 15 7.749 4.366 4.176 1.00 0.00 H new ATOM 0 HA CYS A 15 10.246 3.972 5.340 1.00 0.00 H new ATOM 0 HB2 CYS A 15 9.311 2.680 3.439 1.00 0.00 H new ATOM 0 HB3 CYS A 15 9.437 4.089 2.405 1.00 0.00 H new ATOM 0 HG CYS A 15 11.559 1.922 2.236 1.00 0.00 H new ATOM 130 N MET A 16 10.106 6.607 3.341 1.00 0.00 N ATOM 131 CA MET A 16 10.773 7.860 3.006 1.00 0.00 C ATOM 132 C MET A 16 10.942 8.740 4.237 1.00 0.00 C ATOM 133 O MET A 16 11.985 9.367 4.426 1.00 0.00 O ATOM 134 CB MET A 16 9.990 8.601 1.924 1.00 0.00 C ATOM 135 CG MET A 16 10.045 7.951 0.549 1.00 0.00 C ATOM 136 SD MET A 16 9.309 8.980 -0.737 1.00 0.00 S ATOM 137 CE MET A 16 7.567 8.783 -0.372 1.00 0.00 C ATOM 0 H MET A 16 9.226 6.453 2.849 1.00 0.00 H new ATOM 0 HA MET A 16 11.766 7.624 2.625 1.00 0.00 H new ATOM 0 HB2 MET A 16 8.948 8.677 2.235 1.00 0.00 H new ATOM 0 HB3 MET A 16 10.375 9.618 1.847 1.00 0.00 H new ATOM 0 HG2 MET A 16 11.083 7.742 0.292 1.00 0.00 H new ATOM 0 HG3 MET A 16 9.526 6.993 0.583 1.00 0.00 H new ATOM 0 HE1 MET A 16 6.976 9.146 -1.212 1.00 0.00 H new ATOM 0 HE2 MET A 16 7.348 7.729 -0.203 1.00 0.00 H new ATOM 0 HE3 MET A 16 7.316 9.354 0.522 1.00 0.00 H new ATOM 147 N GLN A 17 9.911 8.784 5.074 1.00 0.00 N ATOM 148 CA GLN A 17 9.935 9.607 6.277 1.00 0.00 C ATOM 149 C GLN A 17 10.906 9.046 7.308 1.00 0.00 C ATOM 150 O GLN A 17 11.275 9.729 8.264 1.00 0.00 O ATOM 151 CB GLN A 17 8.533 9.711 6.883 1.00 0.00 C ATOM 152 CG GLN A 17 7.567 10.560 6.074 1.00 0.00 C ATOM 153 CD GLN A 17 6.182 10.606 6.689 1.00 0.00 C ATOM 154 OE1 GLN A 17 5.933 10.006 7.739 1.00 0.00 O ATOM 155 NE2 GLN A 17 5.270 11.321 6.039 1.00 0.00 N ATOM 0 H GLN A 17 9.047 8.258 4.941 1.00 0.00 H new ATOM 0 HA GLN A 17 10.274 10.603 5.992 1.00 0.00 H new ATOM 0 HB2 GLN A 17 8.119 8.708 6.987 1.00 0.00 H new ATOM 0 HB3 GLN A 17 8.613 10.128 7.887 1.00 0.00 H new ATOM 0 HG2 GLN A 17 7.959 11.574 5.993 1.00 0.00 H new ATOM 0 HG3 GLN A 17 7.499 10.162 5.061 1.00 0.00 H new ATOM 0 HE21 GLN A 17 5.520 11.801 5.174 1.00 0.00 H new ATOM 0 HE22 GLN A 17 4.320 11.390 6.405 1.00 0.00 H new ATOM 164 N ARG A 18 11.317 7.798 7.110 1.00 0.00 N ATOM 165 CA ARG A 18 12.265 7.151 8.009 1.00 0.00 C ATOM 166 C ARG A 18 13.658 7.096 7.395 1.00 0.00 C ATOM 167 O ARG A 18 14.582 6.529 7.977 1.00 0.00 O ATOM 168 CB ARG A 18 11.806 5.740 8.346 1.00 0.00 C ATOM 169 CG ARG A 18 10.580 5.663 9.241 1.00 0.00 C ATOM 170 CD ARG A 18 10.115 4.263 9.415 1.00 0.00 C ATOM 171 NE ARG A 18 8.841 4.198 10.113 1.00 0.00 N ATOM 172 CZ ARG A 18 8.700 4.235 11.452 1.00 0.00 C ATOM 173 NH1 ARG A 18 9.760 4.337 12.223 1.00 0.00 N1+ ATOM 174 NH2 ARG A 18 7.495 4.169 11.992 1.00 0.00 N ATOM 0 H ARG A 18 11.008 7.214 6.333 1.00 0.00 H new ATOM 0 HA ARG A 18 12.308 7.745 8.922 1.00 0.00 H new ATOM 0 HB2 ARG A 18 11.594 5.211 7.417 1.00 0.00 H new ATOM 0 HB3 ARG A 18 12.627 5.213 8.832 1.00 0.00 H new ATOM 0 HG2 ARG A 18 10.813 6.093 10.215 1.00 0.00 H new ATOM 0 HG3 ARG A 18 9.777 6.263 8.811 1.00 0.00 H new ATOM 0 HD2 ARG A 18 10.019 3.788 8.439 1.00 0.00 H new ATOM 0 HD3 ARG A 18 10.863 3.698 9.971 1.00 0.00 H new ATOM 0 HE ARG A 18 7.995 4.119 9.549 1.00 0.00 H new ATOM 0 HH11 ARG A 18 10.690 4.388 11.807 1.00 0.00 H new ATOM 0 HH12 ARG A 18 9.652 4.365 13.237 1.00 0.00 H new ATOM 0 HH21 ARG A 18 6.672 4.090 11.395 1.00 0.00 H new ATOM 0 HH22 ARG A 18 7.388 4.197 13.006 1.00 0.00 H new ATOM 188 N ARG A 19 13.802 7.690 6.215 1.00 0.00 N ATOM 189 CA ARG A 19 15.084 7.710 5.519 1.00 0.00 C ATOM 190 C ARG A 19 15.590 6.298 5.255 1.00 0.00 C ATOM 191 O ARG A 19 16.793 6.040 5.303 1.00 0.00 O ATOM 192 CB ARG A 19 16.120 8.474 6.330 1.00 0.00 C ATOM 193 CG ARG A 19 15.792 9.939 6.572 1.00 0.00 C ATOM 194 CD ARG A 19 16.842 10.612 7.378 1.00 0.00 C ATOM 195 NE ARG A 19 16.449 11.957 7.766 1.00 0.00 N ATOM 196 CZ ARG A 19 17.189 12.778 8.536 1.00 0.00 C ATOM 197 NH1 ARG A 19 18.356 12.378 8.991 1.00 0.00 N1+ ATOM 198 NH2 ARG A 19 16.743 13.985 8.834 1.00 0.00 N ATOM 0 H ARG A 19 13.047 8.164 5.720 1.00 0.00 H new ATOM 0 HA ARG A 19 14.930 8.211 4.563 1.00 0.00 H new ATOM 0 HB2 ARG A 19 16.241 7.980 7.294 1.00 0.00 H new ATOM 0 HB3 ARG A 19 17.080 8.412 5.817 1.00 0.00 H new ATOM 0 HG2 ARG A 19 15.684 10.450 5.615 1.00 0.00 H new ATOM 0 HG3 ARG A 19 14.834 10.017 7.085 1.00 0.00 H new ATOM 0 HD2 ARG A 19 17.048 10.022 8.271 1.00 0.00 H new ATOM 0 HD3 ARG A 19 17.768 10.656 6.804 1.00 0.00 H new ATOM 0 HE ARG A 19 15.550 12.303 7.432 1.00 0.00 H new ATOM 0 HH11 ARG A 19 18.701 11.446 8.761 1.00 0.00 H new ATOM 0 HH12 ARG A 19 18.916 13.000 9.574 1.00 0.00 H new ATOM 0 HH21 ARG A 19 15.838 14.296 8.481 1.00 0.00 H new ATOM 0 HH22 ARG A 19 17.304 14.606 9.417 1.00 0.00 H new ATOM 212 N TRP A 20 14.665 5.387 4.974 1.00 0.00 N ATOM 213 CA TRP A 20 15.018 4.005 4.672 1.00 0.00 C ATOM 214 C TRP A 20 15.191 3.796 3.172 1.00 0.00 C ATOM 215 O TRP A 20 14.698 4.584 2.366 1.00 0.00 O ATOM 216 CB TRP A 20 13.946 3.052 5.202 1.00 0.00 C ATOM 217 CG TRP A 20 13.985 2.876 6.690 1.00 0.00 C ATOM 218 CD1 TRP A 20 14.934 3.355 7.543 1.00 0.00 C ATOM 219 CD2 TRP A 20 13.028 2.166 7.513 1.00 0.00 C ATOM 220 NE1 TRP A 20 14.636 2.994 8.834 1.00 0.00 N ATOM 221 CE2 TRP A 20 13.472 2.267 8.834 1.00 0.00 C ATOM 222 CE3 TRP A 20 11.847 1.465 7.239 1.00 0.00 C ATOM 223 CZ2 TRP A 20 12.779 1.691 9.887 1.00 0.00 C ATOM 224 CZ3 TRP A 20 11.152 0.888 8.295 1.00 0.00 C ATOM 225 CH2 TRP A 20 11.606 0.999 9.585 1.00 0.00 C ATOM 0 H TRP A 20 13.664 5.581 4.949 1.00 0.00 H new ATOM 0 HA TRP A 20 15.967 3.791 5.164 1.00 0.00 H new ATOM 0 HB2 TRP A 20 12.964 3.427 4.914 1.00 0.00 H new ATOM 0 HB3 TRP A 20 14.068 2.079 4.726 1.00 0.00 H new ATOM 0 HD1 TRP A 20 15.796 3.935 7.246 1.00 0.00 H new ATOM 0 HE1 TRP A 20 15.189 3.228 9.658 1.00 0.00 H new ATOM 0 HE3 TRP A 20 11.483 1.375 6.226 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 13.134 1.775 10.904 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 10.240 0.344 8.097 1.00 0.00 H new ATOM 0 HH2 TRP A 20 11.043 0.540 10.384 1.00 0.00 H new ATOM 236 N PRO A 21 15.894 2.731 2.806 1.00 0.00 N ATOM 237 CA PRO A 21 16.082 2.383 1.402 1.00 0.00 C ATOM 238 C PRO A 21 14.747 2.279 0.677 1.00 0.00 C ATOM 239 O PRO A 21 13.754 1.825 1.246 1.00 0.00 O ATOM 240 CB PRO A 21 16.793 1.027 1.475 1.00 0.00 C ATOM 241 CG PRO A 21 17.516 1.064 2.778 1.00 0.00 C ATOM 242 CD PRO A 21 16.578 1.787 3.707 1.00 0.00 C ATOM 0 HA PRO A 21 16.648 3.129 0.844 1.00 0.00 H new ATOM 0 HB2 PRO A 21 16.082 0.202 1.437 1.00 0.00 H new ATOM 0 HB3 PRO A 21 17.482 0.893 0.641 1.00 0.00 H new ATOM 0 HG2 PRO A 21 17.736 0.059 3.139 1.00 0.00 H new ATOM 0 HG3 PRO A 21 18.468 1.587 2.689 1.00 0.00 H new ATOM 0 HD2 PRO A 21 15.877 1.104 4.186 1.00 0.00 H new ATOM 0 HD3 PRO A 21 17.115 2.303 4.503 1.00 0.00 H new ATOM 250 N PRO A 22 14.729 2.701 -0.583 1.00 0.00 N ATOM 251 CA PRO A 22 13.517 2.649 -1.391 1.00 0.00 C ATOM 252 C PRO A 22 12.883 1.265 -1.344 1.00 0.00 C ATOM 253 O PRO A 22 13.556 0.256 -1.556 1.00 0.00 O ATOM 254 CB PRO A 22 14.025 2.990 -2.796 1.00 0.00 C ATOM 255 CG PRO A 22 15.186 3.893 -2.556 1.00 0.00 C ATOM 256 CD PRO A 22 15.857 3.324 -1.334 1.00 0.00 C ATOM 0 HA PRO A 22 12.738 3.328 -1.045 1.00 0.00 H new ATOM 0 HB2 PRO A 22 14.323 2.094 -3.340 1.00 0.00 H new ATOM 0 HB3 PRO A 22 13.254 3.481 -3.390 1.00 0.00 H new ATOM 0 HG2 PRO A 22 15.862 3.906 -3.411 1.00 0.00 H new ATOM 0 HG3 PRO A 22 14.862 4.920 -2.390 1.00 0.00 H new ATOM 0 HD2 PRO A 22 16.619 2.590 -1.598 1.00 0.00 H new ATOM 0 HD3 PRO A 22 16.351 4.099 -0.748 1.00 0.00 H new ATOM 264 N PRO A 23 11.585 1.223 -1.066 1.00 0.00 N ATOM 265 CA PRO A 23 10.855 -0.037 -0.999 1.00 0.00 C ATOM 266 C PRO A 23 10.527 -0.558 -2.393 1.00 0.00 C ATOM 267 O PRO A 23 10.554 0.193 -3.369 1.00 0.00 O ATOM 268 CB PRO A 23 9.588 0.339 -0.225 1.00 0.00 C ATOM 269 CG PRO A 23 9.325 1.753 -0.617 1.00 0.00 C ATOM 270 CD PRO A 23 10.692 2.374 -0.716 1.00 0.00 C ATOM 0 HA PRO A 23 11.420 -0.839 -0.524 1.00 0.00 H new ATOM 0 HB2 PRO A 23 8.753 -0.309 -0.490 1.00 0.00 H new ATOM 0 HB3 PRO A 23 9.736 0.245 0.851 1.00 0.00 H new ATOM 0 HG2 PRO A 23 8.793 1.810 -1.567 1.00 0.00 H new ATOM 0 HG3 PRO A 23 8.710 2.263 0.124 1.00 0.00 H new ATOM 0 HD2 PRO A 23 10.724 3.151 -1.480 1.00 0.00 H new ATOM 0 HD3 PRO A 23 10.989 2.839 0.224 1.00 0.00 H new ATOM 278 N SER A 24 10.219 -1.847 -2.480 1.00 0.00 N ATOM 279 CA SER A 24 9.908 -2.476 -3.758 1.00 0.00 C ATOM 280 C SER A 24 8.996 -3.682 -3.571 1.00 0.00 C ATOM 281 O SER A 24 9.140 -4.438 -2.611 1.00 0.00 O ATOM 282 CB SER A 24 11.186 -2.900 -4.455 1.00 0.00 C ATOM 283 OG SER A 24 10.906 -3.541 -5.670 1.00 0.00 O ATOM 0 H SER A 24 10.178 -2.478 -1.679 1.00 0.00 H new ATOM 0 HA SER A 24 9.385 -1.745 -4.375 1.00 0.00 H new ATOM 0 HB2 SER A 24 11.813 -2.027 -4.636 1.00 0.00 H new ATOM 0 HB3 SER A 24 11.752 -3.570 -3.808 1.00 0.00 H new ATOM 0 HG SER A 24 11.745 -3.804 -6.102 1.00 0.00 H new ATOM 289 N TYR A 25 8.057 -3.855 -4.495 1.00 0.00 N ATOM 290 CA TYR A 25 7.147 -4.994 -4.458 1.00 0.00 C ATOM 291 C TYR A 25 6.974 -5.606 -5.842 1.00 0.00 C ATOM 292 O TYR A 25 7.158 -4.934 -6.856 1.00 0.00 O ATOM 293 CB TYR A 25 5.789 -4.576 -3.890 1.00 0.00 C ATOM 294 CG TYR A 25 5.049 -3.575 -4.750 1.00 0.00 C ATOM 295 CD1 TYR A 25 4.144 -4.016 -5.703 1.00 0.00 C ATOM 296 CD2 TYR A 25 5.276 -2.217 -4.584 1.00 0.00 C ATOM 297 CE1 TYR A 25 3.468 -3.102 -6.489 1.00 0.00 C ATOM 298 CE2 TYR A 25 4.601 -1.303 -5.370 1.00 0.00 C ATOM 299 CZ TYR A 25 3.700 -1.742 -6.319 1.00 0.00 C ATOM 300 OH TYR A 25 3.027 -0.832 -7.101 1.00 0.00 O ATOM 0 H TYR A 25 7.906 -3.221 -5.279 1.00 0.00 H new ATOM 0 HA TYR A 25 7.584 -5.750 -3.806 1.00 0.00 H new ATOM 0 HB2 TYR A 25 5.169 -5.464 -3.767 1.00 0.00 H new ATOM 0 HB3 TYR A 25 5.936 -4.150 -2.898 1.00 0.00 H new ATOM 0 HD1 TYR A 25 3.967 -5.074 -5.831 1.00 0.00 H new ATOM 0 HD2 TYR A 25 5.980 -1.874 -3.841 1.00 0.00 H new ATOM 0 HE1 TYR A 25 2.762 -3.443 -7.232 1.00 0.00 H new ATOM 0 HE2 TYR A 25 4.778 -0.245 -5.242 1.00 0.00 H new ATOM 0 HH TYR A 25 3.302 0.076 -6.856 1.00 0.00 H new ATOM 310 N GLU A 26 6.620 -6.887 -5.877 1.00 0.00 N ATOM 311 CA GLU A 26 6.535 -7.624 -7.132 1.00 0.00 C ATOM 312 C GLU A 26 5.221 -8.388 -7.234 1.00 0.00 C ATOM 313 O GLU A 26 4.700 -8.882 -6.234 1.00 0.00 O ATOM 314 CB GLU A 26 7.711 -8.594 -7.262 1.00 0.00 C ATOM 315 CG GLU A 26 9.075 -7.921 -7.336 1.00 0.00 C ATOM 316 CD GLU A 26 10.204 -8.903 -7.479 1.00 0.00 C ATOM 317 OE1 GLU A 26 9.944 -10.082 -7.488 1.00 0.00 O ATOM 318 OE2 GLU A 26 11.329 -8.473 -7.580 1.00 0.00 O1- ATOM 0 H GLU A 26 6.387 -7.436 -5.050 1.00 0.00 H new ATOM 0 HA GLU A 26 6.576 -6.900 -7.946 1.00 0.00 H new ATOM 0 HB2 GLU A 26 7.701 -9.275 -6.411 1.00 0.00 H new ATOM 0 HB3 GLU A 26 7.569 -9.200 -8.157 1.00 0.00 H new ATOM 0 HG2 GLU A 26 9.090 -7.233 -8.181 1.00 0.00 H new ATOM 0 HG3 GLU A 26 9.230 -7.325 -6.437 1.00 0.00 H new ATOM 325 N THR A 27 4.690 -8.482 -8.448 1.00 0.00 N ATOM 326 CA THR A 27 3.428 -9.175 -8.681 1.00 0.00 C ATOM 327 C THR A 27 3.647 -10.479 -9.437 1.00 0.00 C ATOM 328 O THR A 27 4.323 -10.506 -10.465 1.00 0.00 O ATOM 329 CB THR A 27 2.442 -8.285 -9.460 1.00 0.00 C ATOM 330 OG1 THR A 27 2.153 -7.106 -8.697 1.00 0.00 O ATOM 331 CG2 THR A 27 1.149 -9.036 -9.735 1.00 0.00 C ATOM 0 H THR A 27 5.114 -8.087 -9.287 1.00 0.00 H new ATOM 0 HA THR A 27 3.001 -9.403 -7.705 1.00 0.00 H new ATOM 0 HB THR A 27 2.898 -8.008 -10.410 1.00 0.00 H new ATOM 0 HG1 THR A 27 1.527 -6.540 -9.195 1.00 0.00 H new ATOM 0 HG21 THR A 27 0.464 -8.392 -10.286 1.00 0.00 H new ATOM 0 HG22 THR A 27 1.364 -9.927 -10.326 1.00 0.00 H new ATOM 0 HG23 THR A 27 0.691 -9.329 -8.791 1.00 0.00 H new ATOM 339 N GLU A 28 3.072 -11.560 -8.921 1.00 0.00 N ATOM 340 CA GLU A 28 3.207 -12.871 -9.544 1.00 0.00 C ATOM 341 C GLU A 28 2.095 -13.117 -10.556 1.00 0.00 C ATOM 342 O GLU A 28 1.034 -12.498 -10.489 1.00 0.00 O ATOM 343 CB GLU A 28 3.194 -13.971 -8.480 1.00 0.00 C ATOM 344 CG GLU A 28 4.365 -13.920 -7.509 1.00 0.00 C ATOM 345 CD GLU A 28 5.695 -14.101 -8.186 1.00 0.00 C ATOM 346 OE1 GLU A 28 5.865 -15.084 -8.866 1.00 0.00 O ATOM 347 OE2 GLU A 28 6.542 -13.255 -8.022 1.00 0.00 O1- ATOM 0 H GLU A 28 2.507 -11.554 -8.072 1.00 0.00 H new ATOM 0 HA GLU A 28 4.161 -12.893 -10.070 1.00 0.00 H new ATOM 0 HB2 GLU A 28 2.265 -13.901 -7.914 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.192 -14.941 -8.977 1.00 0.00 H new ATOM 0 HG2 GLU A 28 4.356 -12.963 -6.987 1.00 0.00 H new ATOM 0 HG3 GLU A 28 4.239 -14.696 -6.754 1.00 0.00 H new ATOM 354 N THR A 29 2.346 -14.025 -11.493 1.00 0.00 N ATOM 355 CA THR A 29 1.354 -14.378 -12.502 1.00 0.00 C ATOM 356 C THR A 29 0.116 -14.997 -11.865 1.00 0.00 C ATOM 357 O THR A 29 0.219 -15.800 -10.938 1.00 0.00 O ATOM 358 CB THR A 29 1.942 -15.351 -13.541 1.00 0.00 C ATOM 359 OG1 THR A 29 3.079 -14.748 -14.173 1.00 0.00 O ATOM 360 CG2 THR A 29 0.903 -15.696 -14.597 1.00 0.00 C ATOM 0 H THR A 29 3.228 -14.530 -11.575 1.00 0.00 H new ATOM 0 HA THR A 29 1.065 -13.456 -13.006 1.00 0.00 H new ATOM 0 HB THR A 29 2.243 -16.266 -13.031 1.00 0.00 H new ATOM 0 HG1 THR A 29 3.454 -15.368 -14.833 1.00 0.00 H new ATOM 0 HG21 THR A 29 1.336 -16.384 -15.323 1.00 0.00 H new ATOM 0 HG22 THR A 29 0.042 -16.165 -14.121 1.00 0.00 H new ATOM 0 HG23 THR A 29 0.585 -14.786 -15.105 1.00 0.00 H new ATOM 368 N GLU A 30 -1.054 -14.619 -12.369 1.00 0.00 N ATOM 369 CA GLU A 30 -2.314 -15.139 -11.853 1.00 0.00 C ATOM 370 C GLU A 30 -2.340 -16.662 -11.896 1.00 0.00 C ATOM 371 O GLU A 30 -1.882 -17.273 -12.861 1.00 0.00 O ATOM 372 CB GLU A 30 -3.491 -14.576 -12.652 1.00 0.00 C ATOM 373 CG GLU A 30 -3.457 -14.907 -14.138 1.00 0.00 C ATOM 374 CD GLU A 30 -2.667 -13.911 -14.941 1.00 0.00 C ATOM 375 OE1 GLU A 30 -2.116 -13.009 -14.357 1.00 0.00 O ATOM 376 OE2 GLU A 30 -2.614 -14.053 -16.140 1.00 0.00 O1- ATOM 0 H GLU A 30 -1.155 -13.953 -13.135 1.00 0.00 H new ATOM 0 HA GLU A 30 -2.404 -14.823 -10.814 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -4.419 -14.959 -12.228 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -3.510 -13.493 -12.534 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -3.027 -15.899 -14.274 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -4.477 -14.947 -14.520 1.00 0.00 H new ATOM 383 N VAL A 31 -2.880 -17.269 -10.845 1.00 0.00 N ATOM 384 CA VAL A 31 -2.957 -18.722 -10.756 1.00 0.00 C ATOM 385 C VAL A 31 -4.360 -19.177 -10.374 1.00 0.00 C ATOM 386 O VAL A 31 -4.529 -20.120 -9.602 1.00 0.00 O ATOM 387 CB VAL A 31 -1.950 -19.249 -9.716 1.00 0.00 C ATOM 388 CG1 VAL A 31 -0.524 -19.038 -10.203 1.00 0.00 C ATOM 389 CG2 VAL A 31 -2.172 -18.554 -8.382 1.00 0.00 C ATOM 0 H VAL A 31 -3.271 -16.776 -10.042 1.00 0.00 H new ATOM 0 HA VAL A 31 -2.713 -19.126 -11.738 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.107 -20.319 -9.582 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.175 -19.416 -9.457 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.377 -19.573 -11.141 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.347 -17.974 -10.360 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.457 -18.932 -7.652 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -2.033 -17.480 -8.504 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -3.185 -18.752 -8.033 1.00 0.00 H new ATOM 399 N GLY A 32 -5.365 -18.500 -10.920 1.00 0.00 N ATOM 400 CA GLY A 32 -6.756 -18.817 -10.618 1.00 0.00 C ATOM 401 C GLY A 32 -7.506 -19.254 -11.869 1.00 0.00 C ATOM 402 O GLY A 32 -6.925 -19.853 -12.775 1.00 0.00 O ATOM 0 H GLY A 32 -5.242 -17.728 -11.575 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -6.797 -19.610 -9.871 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -7.245 -17.944 -10.184 1.00 0.00 H new ATOM 406 N LEU A 33 -8.799 -18.952 -11.914 1.00 0.00 N ATOM 407 CA LEU A 33 -9.643 -19.362 -13.029 1.00 0.00 C ATOM 408 C LEU A 33 -9.855 -18.217 -14.011 1.00 0.00 C ATOM 409 O LEU A 33 -9.672 -17.049 -13.666 1.00 0.00 O ATOM 410 CB LEU A 33 -11.000 -19.858 -12.513 1.00 0.00 C ATOM 411 CG LEU A 33 -10.945 -21.001 -11.490 1.00 0.00 C ATOM 412 CD1 LEU A 33 -12.355 -21.323 -11.013 1.00 0.00 C ATOM 413 CD2 LEU A 33 -10.291 -22.219 -12.125 1.00 0.00 C ATOM 0 H LEU A 33 -9.286 -18.424 -11.190 1.00 0.00 H new ATOM 0 HA LEU A 33 -9.135 -20.173 -13.551 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -11.526 -19.017 -12.062 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -11.594 -20.186 -13.366 1.00 0.00 H new ATOM 0 HG LEU A 33 -10.350 -20.702 -10.627 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -12.317 -22.135 -10.286 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -12.792 -20.440 -10.548 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -12.966 -21.625 -11.863 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -10.252 -23.031 -11.399 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -10.873 -22.534 -12.991 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -9.279 -21.965 -12.441 1.00 0.00 H new ATOM 425 N PRO A 34 -10.241 -18.558 -15.236 1.00 0.00 N ATOM 426 CA PRO A 34 -10.528 -17.555 -16.255 1.00 0.00 C ATOM 427 C PRO A 34 -11.555 -16.545 -15.760 1.00 0.00 C ATOM 428 O PRO A 34 -11.505 -15.368 -16.119 1.00 0.00 O ATOM 429 CB PRO A 34 -11.075 -18.392 -17.416 1.00 0.00 C ATOM 430 CG PRO A 34 -10.428 -19.724 -17.243 1.00 0.00 C ATOM 431 CD PRO A 34 -10.400 -19.935 -15.753 1.00 0.00 C ATOM 0 HA PRO A 34 -9.658 -16.960 -16.532 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -12.162 -18.469 -17.374 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -10.823 -17.949 -18.380 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -10.994 -20.509 -17.745 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -9.423 -19.736 -17.665 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -11.317 -20.400 -15.392 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -9.575 -20.580 -15.450 1.00 0.00 H new ATOM 439 N HIS A 35 -12.485 -17.010 -14.933 1.00 0.00 N ATOM 440 CA HIS A 35 -13.542 -16.154 -14.409 1.00 0.00 C ATOM 441 C HIS A 35 -13.353 -15.892 -12.921 1.00 0.00 C ATOM 442 O HIS A 35 -14.281 -15.467 -12.233 1.00 0.00 O ATOM 443 CB HIS A 35 -14.918 -16.783 -14.652 1.00 0.00 C ATOM 444 CG HIS A 35 -15.230 -17.009 -16.099 1.00 0.00 C ATOM 445 ND1 HIS A 35 -15.573 -15.983 -16.955 1.00 0.00 N ATOM 446 CD2 HIS A 35 -15.251 -18.141 -16.841 1.00 0.00 C ATOM 447 CE1 HIS A 35 -15.791 -16.476 -18.162 1.00 0.00 C ATOM 448 NE2 HIS A 35 -15.603 -17.782 -18.118 1.00 0.00 N ATOM 0 H HIS A 35 -12.528 -17.977 -14.611 1.00 0.00 H new ATOM 0 HA HIS A 35 -13.486 -15.203 -14.938 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -14.970 -17.736 -14.125 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -15.684 -16.138 -14.221 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -15.032 -19.140 -16.493 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -16.075 -15.907 -19.035 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -15.703 -18.421 -18.906 1.00 0.00 H new ATOM 455 N GLU A 36 -12.146 -16.148 -12.429 1.00 0.00 N ATOM 456 CA GLU A 36 -11.832 -15.938 -11.021 1.00 0.00 C ATOM 457 C GLU A 36 -10.336 -16.068 -10.765 1.00 0.00 C ATOM 458 O GLU A 36 -9.892 -16.991 -10.081 1.00 0.00 O ATOM 459 CB GLU A 36 -12.597 -16.936 -10.149 1.00 0.00 C ATOM 460 CG GLU A 36 -12.372 -16.767 -8.653 1.00 0.00 C ATOM 461 CD GLU A 36 -13.179 -17.729 -7.827 1.00 0.00 C ATOM 462 OE1 GLU A 36 -13.900 -18.513 -8.398 1.00 0.00 O ATOM 463 OE2 GLU A 36 -13.076 -17.679 -6.624 1.00 0.00 O1- ATOM 0 H GLU A 36 -11.368 -16.502 -12.986 1.00 0.00 H new ATOM 0 HA GLU A 36 -12.138 -14.925 -10.759 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -13.663 -16.839 -10.357 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -12.307 -17.947 -10.436 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -11.314 -16.906 -8.432 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -12.627 -15.747 -8.365 1.00 0.00 H new ATOM 470 N ARG A 37 -9.563 -15.140 -11.317 1.00 0.00 N ATOM 471 CA ARG A 37 -8.109 -15.200 -11.226 1.00 0.00 C ATOM 472 C ARG A 37 -7.634 -14.920 -9.805 1.00 0.00 C ATOM 473 O ARG A 37 -8.218 -14.101 -9.096 1.00 0.00 O ATOM 474 CB ARG A 37 -7.471 -14.197 -12.176 1.00 0.00 C ATOM 475 CG ARG A 37 -7.637 -14.521 -13.653 1.00 0.00 C ATOM 476 CD ARG A 37 -7.047 -13.466 -14.516 1.00 0.00 C ATOM 477 NE ARG A 37 -7.799 -12.224 -14.446 1.00 0.00 N ATOM 478 CZ ARG A 37 -7.413 -11.063 -15.010 1.00 0.00 C ATOM 479 NH1 ARG A 37 -6.284 -11.002 -15.681 1.00 0.00 N1+ ATOM 480 NH2 ARG A 37 -8.169 -9.986 -14.889 1.00 0.00 N ATOM 0 H ARG A 37 -9.920 -14.336 -11.833 1.00 0.00 H new ATOM 0 HA ARG A 37 -7.805 -16.209 -11.506 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -7.899 -13.213 -11.984 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -6.407 -14.131 -11.951 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -7.162 -15.478 -13.871 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -8.696 -14.631 -13.885 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -6.016 -13.284 -14.213 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -7.019 -13.815 -15.548 1.00 0.00 H new ATOM 0 HE ARG A 37 -8.681 -12.232 -13.934 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -5.701 -11.834 -15.774 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -5.991 -10.123 -16.108 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -9.045 -10.034 -14.369 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -7.877 -9.107 -15.316 1.00 0.00 H new ATOM 494 N LEU A 38 -6.573 -15.607 -9.396 1.00 0.00 N ATOM 495 CA LEU A 38 -5.981 -15.390 -8.082 1.00 0.00 C ATOM 496 C LEU A 38 -4.594 -14.771 -8.198 1.00 0.00 C ATOM 497 O LEU A 38 -3.764 -15.227 -8.984 1.00 0.00 O ATOM 498 CB LEU A 38 -5.893 -16.715 -7.314 1.00 0.00 C ATOM 499 CG LEU A 38 -7.224 -17.448 -7.099 1.00 0.00 C ATOM 500 CD1 LEU A 38 -6.963 -18.786 -6.422 1.00 0.00 C ATOM 501 CD2 LEU A 38 -8.150 -16.582 -6.259 1.00 0.00 C ATOM 0 H LEU A 38 -6.105 -16.319 -9.956 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.623 -14.698 -7.537 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -5.215 -17.380 -7.849 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.445 -16.520 -6.340 1.00 0.00 H new ATOM 0 HG LEU A 38 -7.705 -17.636 -8.059 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -7.908 -19.307 -6.269 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -6.313 -19.392 -7.053 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -6.481 -18.619 -5.459 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -9.096 -17.102 -6.106 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -7.685 -16.383 -5.293 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -8.334 -15.639 -6.775 1.00 0.00 H new ATOM 513 N PHE A 39 -4.348 -13.730 -7.410 1.00 0.00 N ATOM 514 CA PHE A 39 -3.130 -12.939 -7.542 1.00 0.00 C ATOM 515 C PHE A 39 -2.308 -12.975 -6.259 1.00 0.00 C ATOM 516 O PHE A 39 -2.859 -12.990 -5.158 1.00 0.00 O ATOM 517 CB PHE A 39 -3.469 -11.490 -7.896 1.00 0.00 C ATOM 518 CG PHE A 39 -4.194 -11.340 -9.203 1.00 0.00 C ATOM 519 CD1 PHE A 39 -5.580 -11.354 -9.250 1.00 0.00 C ATOM 520 CD2 PHE A 39 -3.491 -11.185 -10.389 1.00 0.00 C ATOM 521 CE1 PHE A 39 -6.248 -11.216 -10.452 1.00 0.00 C ATOM 522 CE2 PHE A 39 -4.156 -11.045 -11.592 1.00 0.00 C ATOM 523 CZ PHE A 39 -5.536 -11.061 -11.623 1.00 0.00 C ATOM 0 H PHE A 39 -4.977 -13.414 -6.672 1.00 0.00 H new ATOM 0 HA PHE A 39 -2.537 -13.376 -8.345 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -4.081 -11.065 -7.101 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -2.547 -10.910 -7.934 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -6.144 -11.474 -8.337 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -2.411 -11.174 -10.372 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -7.328 -11.230 -10.474 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -3.596 -10.923 -12.508 1.00 0.00 H new ATOM 0 HZ PHE A 39 -6.057 -10.952 -12.563 1.00 0.00 H new ATOM 533 N THR A 40 -0.988 -12.988 -6.408 1.00 0.00 N ATOM 534 CA THR A 40 -0.088 -12.975 -5.262 1.00 0.00 C ATOM 535 C THR A 40 0.979 -11.898 -5.411 1.00 0.00 C ATOM 536 O THR A 40 1.689 -11.848 -6.415 1.00 0.00 O ATOM 537 CB THR A 40 0.586 -14.347 -5.071 1.00 0.00 C ATOM 538 OG1 THR A 40 -0.418 -15.352 -4.876 1.00 0.00 O ATOM 539 CG2 THR A 40 1.515 -14.322 -3.867 1.00 0.00 C ATOM 0 H THR A 40 -0.517 -13.008 -7.313 1.00 0.00 H new ATOM 0 HA THR A 40 -0.691 -12.752 -4.382 1.00 0.00 H new ATOM 0 HB THR A 40 1.170 -14.576 -5.962 1.00 0.00 H new ATOM 0 HG1 THR A 40 0.012 -16.225 -4.756 1.00 0.00 H new ATOM 0 HG21 THR A 40 1.982 -15.300 -3.748 1.00 0.00 H new ATOM 0 HG22 THR A 40 2.287 -13.567 -4.018 1.00 0.00 H new ATOM 0 HG23 THR A 40 0.943 -14.081 -2.971 1.00 0.00 H new ATOM 547 N ILE A 41 1.087 -11.036 -4.405 1.00 0.00 N ATOM 548 CA ILE A 41 1.990 -9.893 -4.469 1.00 0.00 C ATOM 549 C ILE A 41 2.812 -9.769 -3.193 1.00 0.00 C ATOM 550 O ILE A 41 2.270 -9.808 -2.088 1.00 0.00 O ATOM 551 CB ILE A 41 1.209 -8.588 -4.707 1.00 0.00 C ATOM 552 CG1 ILE A 41 0.488 -8.636 -6.057 1.00 0.00 C ATOM 553 CG2 ILE A 41 2.143 -7.390 -4.640 1.00 0.00 C ATOM 554 CD1 ILE A 41 -0.382 -7.429 -6.327 1.00 0.00 C ATOM 0 H ILE A 41 0.560 -11.108 -3.535 1.00 0.00 H new ATOM 0 HA ILE A 41 2.666 -10.060 -5.307 1.00 0.00 H new ATOM 0 HB ILE A 41 0.461 -8.483 -3.922 1.00 0.00 H new ATOM 0 HG12 ILE A 41 1.229 -8.723 -6.851 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -0.129 -9.534 -6.097 1.00 0.00 H new ATOM 0 HG21 ILE A 41 1.575 -6.476 -4.810 1.00 0.00 H new ATOM 0 HG22 ILE A 41 2.611 -7.348 -3.657 1.00 0.00 H new ATOM 0 HG23 ILE A 41 2.914 -7.486 -5.405 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -0.859 -7.535 -7.301 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -1.147 -7.352 -5.554 1.00 0.00 H new ATOM 0 HD13 ILE A 41 0.233 -6.529 -6.320 1.00 0.00 H new ATOM 566 N ALA A 42 4.123 -9.620 -3.351 1.00 0.00 N ATOM 567 CA ALA A 42 5.028 -9.538 -2.211 1.00 0.00 C ATOM 568 C ALA A 42 5.693 -8.170 -2.133 1.00 0.00 C ATOM 569 O ALA A 42 6.019 -7.568 -3.156 1.00 0.00 O ATOM 570 CB ALA A 42 6.081 -10.634 -2.291 1.00 0.00 C ATOM 0 H ALA A 42 4.583 -9.554 -4.259 1.00 0.00 H new ATOM 0 HA ALA A 42 4.440 -9.679 -1.304 1.00 0.00 H new ATOM 0 HB1 ALA A 42 6.749 -10.560 -1.433 1.00 0.00 H new ATOM 0 HB2 ALA A 42 5.593 -11.609 -2.287 1.00 0.00 H new ATOM 0 HB3 ALA A 42 6.656 -10.520 -3.210 1.00 0.00 H new ATOM 576 N CYS A 43 5.892 -7.684 -0.913 1.00 0.00 N ATOM 577 CA CYS A 43 6.453 -6.355 -0.699 1.00 0.00 C ATOM 578 C CYS A 43 7.650 -6.406 0.241 1.00 0.00 C ATOM 579 O CYS A 43 7.594 -7.035 1.298 1.00 0.00 O ATOM 580 CB CYS A 43 5.397 -5.412 -0.122 1.00 0.00 C ATOM 581 SG CYS A 43 5.987 -3.725 0.157 1.00 0.00 S ATOM 0 H CYS A 43 5.673 -8.191 -0.056 1.00 0.00 H new ATOM 0 HA CYS A 43 6.784 -5.980 -1.668 1.00 0.00 H new ATOM 0 HB2 CYS A 43 4.544 -5.380 -0.800 1.00 0.00 H new ATOM 0 HB3 CYS A 43 5.038 -5.821 0.822 1.00 0.00 H new ATOM 0 HG CYS A 43 5.022 -3.003 0.644 1.00 0.00 H new ATOM 587 N SER A 44 8.732 -5.741 -0.149 1.00 0.00 N ATOM 588 CA SER A 44 9.958 -5.744 0.639 1.00 0.00 C ATOM 589 C SER A 44 10.346 -4.332 1.059 1.00 0.00 C ATOM 590 O SER A 44 10.412 -3.423 0.231 1.00 0.00 O ATOM 591 CB SER A 44 11.087 -6.373 -0.154 1.00 0.00 C ATOM 592 OG SER A 44 12.289 -6.333 0.565 1.00 0.00 O ATOM 0 H SER A 44 8.784 -5.192 -1.007 1.00 0.00 H new ATOM 0 HA SER A 44 9.777 -6.331 1.539 1.00 0.00 H new ATOM 0 HB2 SER A 44 10.836 -7.407 -0.393 1.00 0.00 H new ATOM 0 HB3 SER A 44 11.208 -5.847 -1.101 1.00 0.00 H new ATOM 0 HG SER A 44 12.103 -6.454 1.520 1.00 0.00 H new ATOM 598 N ILE A 45 10.602 -4.153 2.351 1.00 0.00 N ATOM 599 CA ILE A 45 10.982 -2.851 2.884 1.00 0.00 C ATOM 600 C ILE A 45 12.170 -2.968 3.830 1.00 0.00 C ATOM 601 O ILE A 45 12.171 -3.795 4.741 1.00 0.00 O ATOM 602 CB ILE A 45 9.802 -2.193 3.621 1.00 0.00 C ATOM 603 CG1 ILE A 45 8.611 -2.021 2.674 1.00 0.00 C ATOM 604 CG2 ILE A 45 10.220 -0.852 4.204 1.00 0.00 C ATOM 605 CD1 ILE A 45 7.348 -1.552 3.361 1.00 0.00 C ATOM 0 H ILE A 45 10.553 -4.895 3.049 1.00 0.00 H new ATOM 0 HA ILE A 45 11.267 -2.226 2.038 1.00 0.00 H new ATOM 0 HB ILE A 45 9.499 -2.844 4.441 1.00 0.00 H new ATOM 0 HG12 ILE A 45 8.878 -1.305 1.896 1.00 0.00 H new ATOM 0 HG13 ILE A 45 8.413 -2.971 2.178 1.00 0.00 H new ATOM 0 HG21 ILE A 45 9.374 -0.401 4.722 1.00 0.00 H new ATOM 0 HG22 ILE A 45 11.039 -1.001 4.908 1.00 0.00 H new ATOM 0 HG23 ILE A 45 10.548 -0.192 3.401 1.00 0.00 H new ATOM 0 HD11 ILE A 45 6.549 -1.454 2.626 1.00 0.00 H new ATOM 0 HD12 ILE A 45 7.056 -2.278 4.120 1.00 0.00 H new ATOM 0 HD13 ILE A 45 7.528 -0.586 3.833 1.00 0.00 H new ATOM 617 N LEU A 46 13.182 -2.136 3.607 1.00 0.00 N ATOM 618 CA LEU A 46 14.368 -2.128 4.455 1.00 0.00 C ATOM 619 C LEU A 46 15.042 -3.494 4.472 1.00 0.00 C ATOM 620 O LEU A 46 15.773 -3.847 3.547 1.00 0.00 O ATOM 621 CB LEU A 46 13.995 -1.717 5.885 1.00 0.00 C ATOM 622 CG LEU A 46 15.164 -1.603 6.871 1.00 0.00 C ATOM 623 CD1 LEU A 46 16.082 -0.465 6.442 1.00 0.00 C ATOM 624 CD2 LEU A 46 14.625 -1.370 8.274 1.00 0.00 C ATOM 0 H LEU A 46 13.204 -1.458 2.845 1.00 0.00 H new ATOM 0 HA LEU A 46 15.070 -1.403 4.042 1.00 0.00 H new ATOM 0 HB2 LEU A 46 13.483 -0.756 5.845 1.00 0.00 H new ATOM 0 HB3 LEU A 46 13.282 -2.442 6.277 1.00 0.00 H new ATOM 0 HG LEU A 46 15.740 -2.528 6.873 1.00 0.00 H new ATOM 0 HD11 LEU A 46 16.913 -0.384 7.143 1.00 0.00 H new ATOM 0 HD12 LEU A 46 16.468 -0.666 5.443 1.00 0.00 H new ATOM 0 HD13 LEU A 46 15.522 0.470 6.433 1.00 0.00 H new ATOM 0 HD21 LEU A 46 15.456 -1.289 8.974 1.00 0.00 H new ATOM 0 HD22 LEU A 46 14.044 -0.448 8.292 1.00 0.00 H new ATOM 0 HD23 LEU A 46 13.988 -2.206 8.562 1.00 0.00 H new ATOM 636 N ASN A 47 14.791 -4.258 5.530 1.00 0.00 N ATOM 637 CA ASN A 47 15.389 -5.580 5.679 1.00 0.00 C ATOM 638 C ASN A 47 14.321 -6.647 5.882 1.00 0.00 C ATOM 639 O ASN A 47 14.591 -7.710 6.441 1.00 0.00 O ATOM 640 CB ASN A 47 16.381 -5.591 6.827 1.00 0.00 C ATOM 641 CG ASN A 47 17.598 -4.754 6.548 1.00 0.00 C ATOM 642 OD1 ASN A 47 18.035 -4.636 5.397 1.00 0.00 O ATOM 643 ND2 ASN A 47 18.155 -4.171 7.579 1.00 0.00 N ATOM 0 H ASN A 47 14.177 -3.984 6.297 1.00 0.00 H new ATOM 0 HA ASN A 47 15.924 -5.812 4.758 1.00 0.00 H new ATOM 0 HB2 ASN A 47 15.891 -5.224 7.729 1.00 0.00 H new ATOM 0 HB3 ASN A 47 16.689 -6.617 7.027 1.00 0.00 H new ATOM 0 HD21 ASN A 47 18.984 -3.591 7.451 1.00 0.00 H new ATOM 0 HD22 ASN A 47 17.760 -4.297 8.511 1.00 0.00 H new ATOM 650 N TYR A 48 13.108 -6.358 5.423 1.00 0.00 N ATOM 651 CA TYR A 48 11.974 -7.247 5.645 1.00 0.00 C ATOM 652 C TYR A 48 11.208 -7.496 4.351 1.00 0.00 C ATOM 653 O TYR A 48 11.331 -6.736 3.390 1.00 0.00 O ATOM 654 CB TYR A 48 11.041 -6.668 6.710 1.00 0.00 C ATOM 655 CG TYR A 48 11.717 -6.410 8.039 1.00 0.00 C ATOM 656 CD1 TYR A 48 12.291 -5.174 8.296 1.00 0.00 C ATOM 657 CD2 TYR A 48 11.762 -7.409 8.999 1.00 0.00 C ATOM 658 CE1 TYR A 48 12.908 -4.938 9.509 1.00 0.00 C ATOM 659 CE2 TYR A 48 12.379 -7.174 10.212 1.00 0.00 C ATOM 660 CZ TYR A 48 12.951 -5.944 10.468 1.00 0.00 C ATOM 661 OH TYR A 48 13.566 -5.709 11.677 1.00 0.00 O ATOM 0 H TYR A 48 12.885 -5.514 4.895 1.00 0.00 H new ATOM 0 HA TYR A 48 12.362 -8.203 5.998 1.00 0.00 H new ATOM 0 HB2 TYR A 48 10.618 -5.734 6.340 1.00 0.00 H new ATOM 0 HB3 TYR A 48 10.209 -7.355 6.863 1.00 0.00 H new ATOM 0 HD1 TYR A 48 12.256 -4.396 7.548 1.00 0.00 H new ATOM 0 HD2 TYR A 48 11.314 -8.371 8.798 1.00 0.00 H new ATOM 0 HE1 TYR A 48 13.355 -3.976 9.712 1.00 0.00 H new ATOM 0 HE2 TYR A 48 12.414 -7.952 10.960 1.00 0.00 H new ATOM 0 HH TYR A 48 13.508 -6.513 12.235 1.00 0.00 H new ATOM 671 N ARG A 49 10.419 -8.564 4.333 1.00 0.00 N ATOM 672 CA ARG A 49 9.631 -8.915 3.158 1.00 0.00 C ATOM 673 C ARG A 49 8.457 -9.811 3.529 1.00 0.00 C ATOM 674 O ARG A 49 8.624 -10.816 4.220 1.00 0.00 O ATOM 675 CB ARG A 49 10.497 -9.622 2.125 1.00 0.00 C ATOM 676 CG ARG A 49 9.812 -9.896 0.795 1.00 0.00 C ATOM 677 CD ARG A 49 10.732 -10.546 -0.173 1.00 0.00 C ATOM 678 NE ARG A 49 10.023 -11.058 -1.334 1.00 0.00 N ATOM 679 CZ ARG A 49 10.615 -11.462 -2.475 1.00 0.00 C ATOM 680 NH1 ARG A 49 11.923 -11.407 -2.593 1.00 0.00 N1+ ATOM 681 NH2 ARG A 49 9.880 -11.913 -3.477 1.00 0.00 N ATOM 0 H ARG A 49 10.308 -9.203 5.120 1.00 0.00 H new ATOM 0 HA ARG A 49 9.245 -7.988 2.734 1.00 0.00 H new ATOM 0 HB2 ARG A 49 11.385 -9.017 1.942 1.00 0.00 H new ATOM 0 HB3 ARG A 49 10.837 -10.569 2.544 1.00 0.00 H new ATOM 0 HG2 ARG A 49 8.944 -10.535 0.958 1.00 0.00 H new ATOM 0 HG3 ARG A 49 9.444 -8.960 0.375 1.00 0.00 H new ATOM 0 HD2 ARG A 49 11.486 -9.828 -0.496 1.00 0.00 H new ATOM 0 HD3 ARG A 49 11.260 -11.363 0.320 1.00 0.00 H new ATOM 0 HE ARG A 49 9.006 -11.115 -1.281 1.00 0.00 H new ATOM 0 HH11 ARG A 49 12.491 -11.058 -1.821 1.00 0.00 H new ATOM 0 HH12 ARG A 49 12.370 -11.713 -3.457 1.00 0.00 H new ATOM 0 HH21 ARG A 49 8.865 -11.955 -3.386 1.00 0.00 H new ATOM 0 HH22 ARG A 49 10.328 -12.219 -4.341 1.00 0.00 H new ATOM 695 N GLU A 50 7.267 -9.441 3.066 1.00 0.00 N ATOM 696 CA GLU A 50 6.074 -10.249 3.285 1.00 0.00 C ATOM 697 C GLU A 50 5.280 -10.419 1.996 1.00 0.00 C ATOM 698 O GLU A 50 5.538 -9.740 1.002 1.00 0.00 O ATOM 699 CB GLU A 50 5.190 -9.615 4.361 1.00 0.00 C ATOM 700 CG GLU A 50 5.830 -9.547 5.740 1.00 0.00 C ATOM 701 CD GLU A 50 5.994 -10.899 6.377 1.00 0.00 C ATOM 702 OE1 GLU A 50 5.386 -11.832 5.910 1.00 0.00 O ATOM 703 OE2 GLU A 50 6.728 -10.999 7.331 1.00 0.00 O1- ATOM 0 H GLU A 50 7.104 -8.585 2.536 1.00 0.00 H new ATOM 0 HA GLU A 50 6.396 -11.234 3.622 1.00 0.00 H new ATOM 0 HB2 GLU A 50 4.924 -8.606 4.047 1.00 0.00 H new ATOM 0 HB3 GLU A 50 4.262 -10.182 4.432 1.00 0.00 H new ATOM 0 HG2 GLU A 50 6.806 -9.069 5.659 1.00 0.00 H new ATOM 0 HG3 GLU A 50 5.220 -8.918 6.388 1.00 0.00 H new ATOM 710 N MET A 51 4.312 -11.329 2.019 1.00 0.00 N ATOM 711 CA MET A 51 3.567 -11.686 0.818 1.00 0.00 C ATOM 712 C MET A 51 2.082 -11.845 1.117 1.00 0.00 C ATOM 713 O MET A 51 1.700 -12.526 2.068 1.00 0.00 O ATOM 714 CB MET A 51 4.129 -12.970 0.210 1.00 0.00 C ATOM 715 CG MET A 51 3.419 -13.431 -1.054 1.00 0.00 C ATOM 716 SD MET A 51 4.205 -14.870 -1.807 1.00 0.00 S ATOM 717 CE MET A 51 3.693 -16.163 -0.679 1.00 0.00 C ATOM 0 H MET A 51 4.025 -11.833 2.858 1.00 0.00 H new ATOM 0 HA MET A 51 3.678 -10.876 0.098 1.00 0.00 H new ATOM 0 HB2 MET A 51 5.185 -12.819 -0.016 1.00 0.00 H new ATOM 0 HB3 MET A 51 4.073 -13.765 0.954 1.00 0.00 H new ATOM 0 HG2 MET A 51 2.382 -13.671 -0.817 1.00 0.00 H new ATOM 0 HG3 MET A 51 3.401 -12.613 -1.775 1.00 0.00 H new ATOM 0 HE1 MET A 51 3.995 -17.132 -1.076 1.00 0.00 H new ATOM 0 HE2 MET A 51 4.163 -16.006 0.292 1.00 0.00 H new ATOM 0 HE3 MET A 51 2.609 -16.139 -0.566 1.00 0.00 H new ATOM 727 N GLY A 52 1.248 -11.212 0.299 1.00 0.00 N ATOM 728 CA GLY A 52 -0.197 -11.381 0.398 1.00 0.00 C ATOM 729 C GLY A 52 -0.782 -11.901 -0.909 1.00 0.00 C ATOM 730 O GLY A 52 -0.120 -11.883 -1.947 1.00 0.00 O ATOM 0 H GLY A 52 1.548 -10.577 -0.440 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.430 -12.075 1.205 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.661 -10.428 0.653 1.00 0.00 H new ATOM 734 N LYS A 53 -2.025 -12.365 -0.852 1.00 0.00 N ATOM 735 CA LYS A 53 -2.687 -12.930 -2.022 1.00 0.00 C ATOM 736 C LYS A 53 -4.201 -12.927 -1.854 1.00 0.00 C ATOM 737 O LYS A 53 -4.711 -12.929 -0.734 1.00 0.00 O ATOM 738 CB LYS A 53 -2.190 -14.353 -2.284 1.00 0.00 C ATOM 739 CG LYS A 53 -2.537 -15.352 -1.188 1.00 0.00 C ATOM 740 CD LYS A 53 -2.025 -16.744 -1.527 1.00 0.00 C ATOM 741 CE LYS A 53 -2.355 -17.740 -0.425 1.00 0.00 C ATOM 742 NZ LYS A 53 -1.845 -19.102 -0.735 1.00 0.00 N1+ ATOM 0 H LYS A 53 -2.596 -12.361 -0.007 1.00 0.00 H new ATOM 0 HA LYS A 53 -2.438 -12.305 -2.879 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -2.611 -14.704 -3.226 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -1.107 -14.330 -2.408 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -2.105 -15.023 -0.243 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -3.618 -15.383 -1.050 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -2.468 -17.078 -2.466 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -0.946 -16.710 -1.678 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -1.924 -17.397 0.515 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -3.435 -17.781 -0.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -2.091 -19.750 0.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -2.276 -19.441 -1.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -0.811 -19.069 -0.844 1.00 0.00 H new ATOM 756 N GLY A 54 -4.915 -12.922 -2.974 1.00 0.00 N ATOM 757 CA GLY A 54 -6.373 -12.885 -2.953 1.00 0.00 C ATOM 758 C GLY A 54 -6.947 -13.000 -4.359 1.00 0.00 C ATOM 759 O GLY A 54 -6.280 -13.483 -5.275 1.00 0.00 O ATOM 0 H GLY A 54 -4.508 -12.943 -3.909 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -6.751 -13.699 -2.335 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -6.709 -11.955 -2.495 1.00 0.00 H new ATOM 763 N LYS A 55 -8.188 -12.555 -4.525 1.00 0.00 N ATOM 764 CA LYS A 55 -8.883 -12.680 -5.800 1.00 0.00 C ATOM 765 C LYS A 55 -8.629 -11.468 -6.687 1.00 0.00 C ATOM 766 O LYS A 55 -9.153 -11.379 -7.798 1.00 0.00 O ATOM 767 CB LYS A 55 -10.385 -12.862 -5.576 1.00 0.00 C ATOM 768 CG LYS A 55 -10.763 -14.151 -4.858 1.00 0.00 C ATOM 769 CD LYS A 55 -12.269 -14.264 -4.679 1.00 0.00 C ATOM 770 CE LYS A 55 -12.643 -15.520 -3.907 1.00 0.00 C ATOM 771 NZ LYS A 55 -14.117 -15.656 -3.745 1.00 0.00 N1+ ATOM 0 H LYS A 55 -8.734 -12.104 -3.791 1.00 0.00 H new ATOM 0 HA LYS A 55 -8.492 -13.562 -6.308 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -10.759 -12.016 -4.999 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -10.890 -12.837 -6.542 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -10.397 -15.007 -5.426 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -10.276 -14.183 -3.884 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -12.641 -13.386 -4.151 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -12.753 -14.278 -5.656 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -12.253 -16.395 -4.427 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -12.171 -15.496 -2.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -14.329 -16.525 -3.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -14.487 -14.834 -3.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -14.566 -15.705 -4.682 1.00 0.00 H new ATOM 785 N SER A 56 -7.823 -10.536 -6.190 1.00 0.00 N ATOM 786 CA SER A 56 -7.426 -9.371 -6.972 1.00 0.00 C ATOM 787 C SER A 56 -6.045 -8.876 -6.560 1.00 0.00 C ATOM 788 O SER A 56 -5.570 -9.174 -5.464 1.00 0.00 O ATOM 789 CB SER A 56 -8.442 -8.259 -6.804 1.00 0.00 C ATOM 790 OG SER A 56 -8.386 -7.717 -5.513 1.00 0.00 O ATOM 0 H SER A 56 -7.432 -10.565 -5.249 1.00 0.00 H new ATOM 0 HA SER A 56 -7.385 -9.668 -8.020 1.00 0.00 H new ATOM 0 HB2 SER A 56 -8.254 -7.476 -7.539 1.00 0.00 H new ATOM 0 HB3 SER A 56 -9.443 -8.644 -6.997 1.00 0.00 H new ATOM 0 HG SER A 56 -9.049 -7.001 -5.430 1.00 0.00 H new ATOM 796 N LYS A 57 -5.406 -8.119 -7.444 1.00 0.00 N ATOM 797 CA LYS A 57 -4.130 -7.487 -7.131 1.00 0.00 C ATOM 798 C LYS A 57 -4.273 -6.495 -5.984 1.00 0.00 C ATOM 799 O LYS A 57 -3.358 -6.327 -5.178 1.00 0.00 O ATOM 800 CB LYS A 57 -3.562 -6.784 -8.366 1.00 0.00 C ATOM 801 CG LYS A 57 -3.105 -7.727 -9.471 1.00 0.00 C ATOM 802 CD LYS A 57 -2.562 -6.956 -10.665 1.00 0.00 C ATOM 803 CE LYS A 57 -2.186 -7.892 -11.804 1.00 0.00 C ATOM 804 NZ LYS A 57 -1.680 -7.150 -12.991 1.00 0.00 N1+ ATOM 0 H LYS A 57 -5.751 -7.928 -8.385 1.00 0.00 H new ATOM 0 HA LYS A 57 -3.438 -8.270 -6.820 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -4.321 -6.113 -8.768 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -2.718 -6.165 -8.061 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -2.335 -8.396 -9.086 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -3.940 -8.352 -9.788 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -3.310 -6.242 -11.010 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -1.688 -6.380 -10.361 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -1.424 -8.592 -11.462 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -3.056 -8.483 -12.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -1.435 -7.825 -13.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -2.416 -6.500 -13.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -0.834 -6.606 -12.726 1.00 0.00 H new ATOM 818 N LYS A 58 -5.427 -5.839 -5.916 1.00 0.00 N ATOM 819 CA LYS A 58 -5.712 -4.899 -4.839 1.00 0.00 C ATOM 820 C LYS A 58 -5.696 -5.594 -3.483 1.00 0.00 C ATOM 821 O LYS A 58 -5.085 -5.107 -2.532 1.00 0.00 O ATOM 822 CB LYS A 58 -7.063 -4.219 -5.065 1.00 0.00 C ATOM 823 CG LYS A 58 -7.088 -3.243 -6.234 1.00 0.00 C ATOM 824 CD LYS A 58 -8.462 -2.611 -6.397 1.00 0.00 C ATOM 825 CE LYS A 58 -8.496 -1.656 -7.581 1.00 0.00 C ATOM 826 NZ LYS A 58 -9.843 -1.054 -7.772 1.00 0.00 N1+ ATOM 0 H LYS A 58 -6.181 -5.942 -6.595 1.00 0.00 H new ATOM 0 HA LYS A 58 -4.929 -4.141 -4.843 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -7.819 -4.986 -5.232 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -7.345 -3.686 -4.157 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -6.343 -2.463 -6.075 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -6.814 -3.764 -7.151 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -9.209 -3.392 -6.536 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -8.728 -2.074 -5.486 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -7.763 -0.864 -7.429 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -8.206 -2.190 -8.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -9.823 -0.410 -8.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -10.539 -1.808 -7.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -10.110 -0.523 -6.919 1.00 0.00 H new ATOM 840 N ILE A 59 -6.371 -6.736 -3.401 1.00 0.00 N ATOM 841 CA ILE A 59 -6.403 -7.521 -2.173 1.00 0.00 C ATOM 842 C ILE A 59 -5.006 -7.984 -1.779 1.00 0.00 C ATOM 843 O ILE A 59 -4.614 -7.885 -0.616 1.00 0.00 O ATOM 844 CB ILE A 59 -7.326 -8.743 -2.326 1.00 0.00 C ATOM 845 CG1 ILE A 59 -8.785 -8.298 -2.458 1.00 0.00 C ATOM 846 CG2 ILE A 59 -7.159 -9.687 -1.145 1.00 0.00 C ATOM 847 CD1 ILE A 59 -9.722 -9.399 -2.899 1.00 0.00 C ATOM 0 H ILE A 59 -6.904 -7.139 -4.172 1.00 0.00 H new ATOM 0 HA ILE A 59 -6.794 -6.876 -1.386 1.00 0.00 H new ATOM 0 HB ILE A 59 -7.046 -9.277 -3.234 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -9.124 -7.908 -1.498 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -8.841 -7.478 -3.173 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -7.819 -10.546 -1.269 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -6.125 -10.028 -1.095 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -7.413 -9.165 -0.223 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -10.737 -9.007 -2.970 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -9.409 -9.774 -3.873 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -9.697 -10.211 -2.172 1.00 0.00 H new ATOM 859 N ALA A 60 -4.259 -8.490 -2.754 1.00 0.00 N ATOM 860 CA ALA A 60 -2.901 -8.963 -2.512 1.00 0.00 C ATOM 861 C ALA A 60 -2.017 -7.846 -1.971 1.00 0.00 C ATOM 862 O ALA A 60 -1.255 -8.048 -1.026 1.00 0.00 O ATOM 863 CB ALA A 60 -2.305 -9.537 -3.789 1.00 0.00 C ATOM 0 H ALA A 60 -4.571 -8.583 -3.720 1.00 0.00 H new ATOM 0 HA ALA A 60 -2.948 -9.750 -1.760 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -1.291 -9.886 -3.593 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -2.916 -10.372 -4.132 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -2.280 -8.765 -4.558 1.00 0.00 H new ATOM 869 N LYS A 61 -2.125 -6.668 -2.576 1.00 0.00 N ATOM 870 CA LYS A 61 -1.354 -5.510 -2.139 1.00 0.00 C ATOM 871 C LYS A 61 -1.732 -5.100 -0.721 1.00 0.00 C ATOM 872 O LYS A 61 -0.865 -4.807 0.102 1.00 0.00 O ATOM 873 CB LYS A 61 -1.561 -4.337 -3.098 1.00 0.00 C ATOM 874 CG LYS A 61 -0.872 -4.498 -4.447 1.00 0.00 C ATOM 875 CD LYS A 61 -1.106 -3.286 -5.336 1.00 0.00 C ATOM 876 CE LYS A 61 -0.472 -3.472 -6.706 1.00 0.00 C ATOM 877 NZ LYS A 61 -0.704 -2.298 -7.591 1.00 0.00 N1+ ATOM 0 H LYS A 61 -2.739 -6.490 -3.371 1.00 0.00 H new ATOM 0 HA LYS A 61 -0.300 -5.790 -2.143 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -2.630 -4.203 -3.263 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -1.195 -3.426 -2.623 1.00 0.00 H new ATOM 0 HG2 LYS A 61 0.198 -4.640 -4.296 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -1.245 -5.393 -4.944 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -2.177 -3.117 -5.449 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -0.692 -2.398 -4.859 1.00 0.00 H new ATOM 0 HE2 LYS A 61 0.600 -3.633 -6.591 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -0.880 -4.367 -7.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -0.256 -2.465 -8.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -1.726 -2.159 -7.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -0.292 -1.448 -7.155 1.00 0.00 H new ATOM 891 N ARG A 62 -3.031 -5.081 -0.442 1.00 0.00 N ATOM 892 CA ARG A 62 -3.526 -4.691 0.872 1.00 0.00 C ATOM 893 C ARG A 62 -3.004 -5.624 1.957 1.00 0.00 C ATOM 894 O ARG A 62 -2.541 -5.175 3.006 1.00 0.00 O ATOM 895 CB ARG A 62 -5.048 -4.695 0.894 1.00 0.00 C ATOM 896 CG ARG A 62 -5.701 -3.531 0.165 1.00 0.00 C ATOM 897 CD ARG A 62 -7.176 -3.684 0.097 1.00 0.00 C ATOM 898 NE ARG A 62 -7.802 -2.594 -0.634 1.00 0.00 N ATOM 899 CZ ARG A 62 -9.119 -2.509 -0.902 1.00 0.00 C ATOM 900 NH1 ARG A 62 -9.935 -3.455 -0.494 1.00 0.00 N1+ ATOM 901 NH2 ARG A 62 -9.591 -1.474 -1.576 1.00 0.00 N ATOM 0 H ARG A 62 -3.760 -5.332 -1.110 1.00 0.00 H new ATOM 0 HA ARG A 62 -3.163 -3.683 1.072 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -5.401 -5.626 0.451 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -5.382 -4.689 1.932 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -5.455 -2.599 0.674 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -5.296 -3.460 -0.844 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -7.421 -4.631 -0.384 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -7.584 -3.725 1.107 1.00 0.00 H new ATOM 0 HE ARG A 62 -7.201 -1.840 -0.967 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -9.571 -4.254 0.026 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -10.933 -3.391 -0.697 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -8.958 -0.740 -1.893 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -10.589 -1.410 -1.779 1.00 0.00 H new ATOM 915 N LEU A 63 -3.081 -6.925 1.699 1.00 0.00 N ATOM 916 CA LEU A 63 -2.650 -7.925 2.669 1.00 0.00 C ATOM 917 C LEU A 63 -1.141 -7.881 2.873 1.00 0.00 C ATOM 918 O LEU A 63 -0.654 -7.993 3.998 1.00 0.00 O ATOM 919 CB LEU A 63 -3.069 -9.326 2.206 1.00 0.00 C ATOM 920 CG LEU A 63 -4.575 -9.614 2.235 1.00 0.00 C ATOM 921 CD1 LEU A 63 -4.848 -10.961 1.579 1.00 0.00 C ATOM 922 CD2 LEU A 63 -5.068 -9.597 3.675 1.00 0.00 C ATOM 0 H LEU A 63 -3.438 -7.312 0.825 1.00 0.00 H new ATOM 0 HA LEU A 63 -3.132 -7.698 3.620 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -2.709 -9.475 1.188 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.565 -10.062 2.833 1.00 0.00 H new ATOM 0 HG LEU A 63 -5.112 -8.846 1.679 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -5.918 -11.166 1.600 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.503 -10.939 0.545 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.318 -11.744 2.122 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -6.138 -9.802 3.696 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -4.542 -10.360 4.249 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -4.877 -8.617 4.113 1.00 0.00 H new ATOM 934 N ALA A 64 -0.406 -7.716 1.779 1.00 0.00 N ATOM 935 CA ALA A 64 1.042 -7.554 1.846 1.00 0.00 C ATOM 936 C ALA A 64 1.421 -6.337 2.682 1.00 0.00 C ATOM 937 O ALA A 64 2.321 -6.404 3.519 1.00 0.00 O ATOM 938 CB ALA A 64 1.627 -7.437 0.447 1.00 0.00 C ATOM 0 H ALA A 64 -0.789 -7.691 0.834 1.00 0.00 H new ATOM 0 HA ALA A 64 1.458 -8.438 2.329 1.00 0.00 H new ATOM 0 HB1 ALA A 64 2.708 -7.317 0.514 1.00 0.00 H new ATOM 0 HB2 ALA A 64 1.397 -8.339 -0.120 1.00 0.00 H new ATOM 0 HB3 ALA A 64 1.196 -6.572 -0.056 1.00 0.00 H new ATOM 944 N ALA A 65 0.729 -5.227 2.449 1.00 0.00 N ATOM 945 CA ALA A 65 0.968 -4.003 3.204 1.00 0.00 C ATOM 946 C ALA A 65 0.659 -4.199 4.683 1.00 0.00 C ATOM 947 O ALA A 65 1.408 -3.746 5.549 1.00 0.00 O ATOM 948 CB ALA A 65 0.138 -2.860 2.638 1.00 0.00 C ATOM 0 H ALA A 65 -0.003 -5.150 1.742 1.00 0.00 H new ATOM 0 HA ALA A 65 2.024 -3.752 3.110 1.00 0.00 H new ATOM 0 HB1 ALA A 65 0.328 -1.953 3.213 1.00 0.00 H new ATOM 0 HB2 ALA A 65 0.411 -2.693 1.596 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -0.920 -3.114 2.699 1.00 0.00 H new ATOM 954 N HIS A 66 -0.448 -4.877 4.966 1.00 0.00 N ATOM 955 CA HIS A 66 -0.822 -5.194 6.339 1.00 0.00 C ATOM 956 C HIS A 66 0.291 -5.951 7.052 1.00 0.00 C ATOM 957 O HIS A 66 0.690 -5.589 8.160 1.00 0.00 O ATOM 958 CB HIS A 66 -2.111 -6.021 6.371 1.00 0.00 C ATOM 959 CG HIS A 66 -3.323 -5.263 5.927 1.00 0.00 C ATOM 960 ND1 HIS A 66 -4.492 -5.887 5.545 1.00 0.00 N ATOM 961 CD2 HIS A 66 -3.548 -3.934 5.803 1.00 0.00 C ATOM 962 CE1 HIS A 66 -5.385 -4.973 5.205 1.00 0.00 C ATOM 963 NE2 HIS A 66 -4.836 -3.781 5.353 1.00 0.00 N ATOM 0 H HIS A 66 -1.102 -5.218 4.262 1.00 0.00 H new ATOM 0 HA HIS A 66 -0.990 -4.251 6.860 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -1.987 -6.896 5.733 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -2.273 -6.386 7.385 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -2.846 -3.142 6.018 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -6.391 -5.168 4.865 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -5.295 -2.890 5.163 1.00 0.00 H new ATOM 970 N ARG A 67 0.790 -7.003 6.412 1.00 0.00 N ATOM 971 CA ARG A 67 1.837 -7.831 6.997 1.00 0.00 C ATOM 972 C ARG A 67 3.121 -7.035 7.198 1.00 0.00 C ATOM 973 O ARG A 67 3.766 -7.133 8.241 1.00 0.00 O ATOM 974 CB ARG A 67 2.124 -9.036 6.114 1.00 0.00 C ATOM 975 CG ARG A 67 1.037 -10.100 6.112 1.00 0.00 C ATOM 976 CD ARG A 67 1.420 -11.273 5.285 1.00 0.00 C ATOM 977 NE ARG A 67 2.559 -11.983 5.845 1.00 0.00 N ATOM 978 CZ ARG A 67 2.476 -12.932 6.797 1.00 0.00 C ATOM 979 NH1 ARG A 67 1.304 -13.273 7.285 1.00 0.00 N1+ ATOM 980 NH2 ARG A 67 3.573 -13.520 7.241 1.00 0.00 N ATOM 0 H ARG A 67 0.485 -7.303 5.486 1.00 0.00 H new ATOM 0 HA ARG A 67 1.479 -8.172 7.969 1.00 0.00 H new ATOM 0 HB2 ARG A 67 2.277 -8.691 5.091 1.00 0.00 H new ATOM 0 HB3 ARG A 67 3.059 -9.493 6.439 1.00 0.00 H new ATOM 0 HG2 ARG A 67 0.842 -10.423 7.135 1.00 0.00 H new ATOM 0 HG3 ARG A 67 0.110 -9.673 5.731 1.00 0.00 H new ATOM 0 HD2 ARG A 67 0.572 -11.953 5.205 1.00 0.00 H new ATOM 0 HD3 ARG A 67 1.660 -10.942 4.275 1.00 0.00 H new ATOM 0 HE ARG A 67 3.486 -11.746 5.492 1.00 0.00 H new ATOM 0 HH11 ARG A 67 0.457 -12.819 6.943 1.00 0.00 H new ATOM 0 HH12 ARG A 67 1.241 -13.992 8.006 1.00 0.00 H new ATOM 0 HH21 ARG A 67 4.482 -13.255 6.863 1.00 0.00 H new ATOM 0 HH22 ARG A 67 3.510 -14.239 7.962 1.00 0.00 H new ATOM 994 N MET A 68 3.486 -6.248 6.192 1.00 0.00 N ATOM 995 CA MET A 68 4.711 -5.459 6.242 1.00 0.00 C ATOM 996 C MET A 68 4.642 -4.403 7.337 1.00 0.00 C ATOM 997 O MET A 68 5.618 -4.167 8.049 1.00 0.00 O ATOM 998 CB MET A 68 4.974 -4.806 4.887 1.00 0.00 C ATOM 999 CG MET A 68 5.502 -5.756 3.821 1.00 0.00 C ATOM 1000 SD MET A 68 7.020 -6.591 4.325 1.00 0.00 S ATOM 1001 CE MET A 68 8.136 -5.200 4.478 1.00 0.00 C ATOM 0 H MET A 68 2.950 -6.139 5.331 1.00 0.00 H new ATOM 0 HA MET A 68 5.537 -6.131 6.477 1.00 0.00 H new ATOM 0 HB2 MET A 68 4.048 -4.356 4.529 1.00 0.00 H new ATOM 0 HB3 MET A 68 5.691 -3.996 5.021 1.00 0.00 H new ATOM 0 HG2 MET A 68 4.740 -6.502 3.594 1.00 0.00 H new ATOM 0 HG3 MET A 68 5.686 -5.199 2.902 1.00 0.00 H new ATOM 0 HE1 MET A 68 9.162 -5.562 4.538 1.00 0.00 H new ATOM 0 HE2 MET A 68 8.030 -4.551 3.609 1.00 0.00 H new ATOM 0 HE3 MET A 68 7.896 -4.639 5.381 1.00 0.00 H new ATOM 1011 N TRP A 69 3.481 -3.768 7.467 1.00 0.00 N ATOM 1012 CA TRP A 69 3.270 -2.763 8.502 1.00 0.00 C ATOM 1013 C TRP A 69 3.461 -3.355 9.893 1.00 0.00 C ATOM 1014 O TRP A 69 4.192 -2.807 10.716 1.00 0.00 O ATOM 1015 CB TRP A 69 1.866 -2.166 8.386 1.00 0.00 C ATOM 1016 CG TRP A 69 1.601 -1.065 9.368 1.00 0.00 C ATOM 1017 CD1 TRP A 69 1.896 0.256 9.211 1.00 0.00 C ATOM 1018 CD2 TRP A 69 0.982 -1.185 10.672 1.00 0.00 C ATOM 1019 NE1 TRP A 69 1.507 0.963 10.321 1.00 0.00 N ATOM 1020 CE2 TRP A 69 0.944 0.098 11.225 1.00 0.00 C ATOM 1021 CE3 TRP A 69 0.464 -2.262 11.402 1.00 0.00 C ATOM 1022 CZ2 TRP A 69 0.409 0.340 12.480 1.00 0.00 C ATOM 1023 CZ3 TRP A 69 -0.073 -2.019 12.661 1.00 0.00 C ATOM 1024 CH2 TRP A 69 -0.100 -0.751 13.185 1.00 0.00 C ATOM 0 H TRP A 69 2.672 -3.932 6.868 1.00 0.00 H new ATOM 0 HA TRP A 69 4.011 -1.977 8.357 1.00 0.00 H new ATOM 0 HB2 TRP A 69 1.725 -1.782 7.375 1.00 0.00 H new ATOM 0 HB3 TRP A 69 1.130 -2.957 8.532 1.00 0.00 H new ATOM 0 HD1 TRP A 69 2.368 0.685 8.339 1.00 0.00 H new ATOM 0 HE1 TRP A 69 1.618 1.968 10.453 1.00 0.00 H new ATOM 0 HE3 TRP A 69 0.481 -3.262 10.995 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 0.387 1.336 12.897 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 -0.475 -2.841 13.235 1.00 0.00 H new ATOM 0 HH2 TRP A 69 -0.525 -0.594 14.165 1.00 0.00 H new ATOM 1035 N MET A 70 2.798 -4.478 10.148 1.00 0.00 N ATOM 1036 CA MET A 70 2.938 -5.179 11.419 1.00 0.00 C ATOM 1037 C MET A 70 4.381 -5.607 11.655 1.00 0.00 C ATOM 1038 O MET A 70 4.914 -5.445 12.753 1.00 0.00 O ATOM 1039 CB MET A 70 2.009 -6.390 11.459 1.00 0.00 C ATOM 1040 CG MET A 70 0.530 -6.047 11.567 1.00 0.00 C ATOM 1041 SD MET A 70 -0.503 -7.499 11.844 1.00 0.00 S ATOM 1042 CE MET A 70 -0.471 -8.252 10.220 1.00 0.00 C ATOM 0 H MET A 70 2.158 -4.923 9.490 1.00 0.00 H new ATOM 0 HA MET A 70 2.657 -4.493 12.218 1.00 0.00 H new ATOM 0 HB2 MET A 70 2.167 -6.983 10.558 1.00 0.00 H new ATOM 0 HB3 MET A 70 2.286 -7.017 12.306 1.00 0.00 H new ATOM 0 HG2 MET A 70 0.384 -5.341 12.384 1.00 0.00 H new ATOM 0 HG3 MET A 70 0.209 -5.547 10.653 1.00 0.00 H new ATOM 0 HE1 MET A 70 -1.227 -9.035 10.167 1.00 0.00 H new ATOM 0 HE2 MET A 70 -0.679 -7.495 9.464 1.00 0.00 H new ATOM 0 HE3 MET A 70 0.513 -8.685 10.039 1.00 0.00 H new ATOM 1052 N ARG A 71 5.008 -6.154 10.619 1.00 0.00 N ATOM 1053 CA ARG A 71 6.399 -6.581 10.705 1.00 0.00 C ATOM 1054 C ARG A 71 7.301 -5.436 11.145 1.00 0.00 C ATOM 1055 O ARG A 71 8.121 -5.591 12.050 1.00 0.00 O ATOM 1056 CB ARG A 71 6.879 -7.113 9.362 1.00 0.00 C ATOM 1057 CG ARG A 71 8.319 -7.601 9.345 1.00 0.00 C ATOM 1058 CD ARG A 71 8.508 -8.783 10.224 1.00 0.00 C ATOM 1059 NE ARG A 71 7.787 -9.946 9.733 1.00 0.00 N ATOM 1060 CZ ARG A 71 7.497 -11.035 10.471 1.00 0.00 C ATOM 1061 NH1 ARG A 71 7.874 -11.096 11.729 1.00 0.00 N1+ ATOM 1062 NH2 ARG A 71 6.835 -12.043 9.930 1.00 0.00 N ATOM 0 H ARG A 71 4.574 -6.312 9.709 1.00 0.00 H new ATOM 0 HA ARG A 71 6.452 -7.375 11.450 1.00 0.00 H new ATOM 0 HB2 ARG A 71 6.229 -7.934 9.059 1.00 0.00 H new ATOM 0 HB3 ARG A 71 6.768 -6.327 8.615 1.00 0.00 H new ATOM 0 HG2 ARG A 71 8.605 -7.857 8.325 1.00 0.00 H new ATOM 0 HG3 ARG A 71 8.980 -6.797 9.669 1.00 0.00 H new ATOM 0 HD2 ARG A 71 9.570 -9.017 10.293 1.00 0.00 H new ATOM 0 HD3 ARG A 71 8.168 -8.544 11.232 1.00 0.00 H new ATOM 0 HE ARG A 71 7.479 -9.937 8.761 1.00 0.00 H new ATOM 0 HH11 ARG A 71 8.386 -10.319 12.146 1.00 0.00 H new ATOM 0 HH12 ARG A 71 7.654 -11.921 12.288 1.00 0.00 H new ATOM 0 HH21 ARG A 71 6.544 -11.996 8.954 1.00 0.00 H new ATOM 0 HH22 ARG A 71 6.615 -12.868 10.489 1.00 0.00 H new ATOM 1076 N LEU A 72 7.145 -4.284 10.500 1.00 0.00 N ATOM 1077 CA LEU A 72 7.976 -3.123 10.794 1.00 0.00 C ATOM 1078 C LEU A 72 7.604 -2.505 12.136 1.00 0.00 C ATOM 1079 O LEU A 72 8.459 -1.974 12.844 1.00 0.00 O ATOM 1080 CB LEU A 72 7.832 -2.074 9.684 1.00 0.00 C ATOM 1081 CG LEU A 72 8.345 -2.495 8.301 1.00 0.00 C ATOM 1082 CD1 LEU A 72 7.952 -1.443 7.271 1.00 0.00 C ATOM 1083 CD2 LEU A 72 9.855 -2.673 8.352 1.00 0.00 C ATOM 0 H LEU A 72 6.450 -4.130 9.770 1.00 0.00 H new ATOM 0 HA LEU A 72 9.012 -3.457 10.845 1.00 0.00 H new ATOM 0 HB2 LEU A 72 6.779 -1.808 9.595 1.00 0.00 H new ATOM 0 HB3 LEU A 72 8.364 -1.173 9.990 1.00 0.00 H new ATOM 0 HG LEU A 72 7.896 -3.445 8.011 1.00 0.00 H new ATOM 0 HD11 LEU A 72 8.316 -1.742 6.288 1.00 0.00 H new ATOM 0 HD12 LEU A 72 6.866 -1.350 7.242 1.00 0.00 H new ATOM 0 HD13 LEU A 72 8.392 -0.484 7.545 1.00 0.00 H new ATOM 0 HD21 LEU A 72 10.219 -2.972 7.369 1.00 0.00 H new ATOM 0 HD22 LEU A 72 10.323 -1.732 8.641 1.00 0.00 H new ATOM 0 HD23 LEU A 72 10.106 -3.443 9.082 1.00 0.00 H new ATOM 1095 N GLN A 73 6.323 -2.578 12.480 1.00 0.00 N ATOM 1096 CA GLN A 73 5.838 -2.041 13.746 1.00 0.00 C ATOM 1097 C GLN A 73 6.421 -2.805 14.928 1.00 0.00 C ATOM 1098 O GLN A 73 6.791 -2.211 15.941 1.00 0.00 O ATOM 1099 CB GLN A 73 4.308 -2.087 13.797 1.00 0.00 C ATOM 1100 CG GLN A 73 3.708 -1.457 15.042 1.00 0.00 C ATOM 1101 CD GLN A 73 4.008 0.027 15.142 1.00 0.00 C ATOM 1102 OE1 GLN A 73 3.873 0.769 14.164 1.00 0.00 O ATOM 1103 NE2 GLN A 73 4.417 0.469 16.325 1.00 0.00 N ATOM 0 H GLN A 73 5.601 -3.004 11.899 1.00 0.00 H new ATOM 0 HA GLN A 73 6.165 -1.003 13.814 1.00 0.00 H new ATOM 0 HB2 GLN A 73 3.911 -1.578 12.919 1.00 0.00 H new ATOM 0 HB3 GLN A 73 3.985 -3.126 13.737 1.00 0.00 H new ATOM 0 HG2 GLN A 73 2.628 -1.607 15.037 1.00 0.00 H new ATOM 0 HG3 GLN A 73 4.096 -1.964 15.925 1.00 0.00 H new ATOM 0 HE21 GLN A 73 4.514 -0.180 17.106 1.00 0.00 H new ATOM 0 HE22 GLN A 73 4.634 1.457 16.453 1.00 0.00 H new ATOM 1112 N GLU A 74 6.501 -4.124 14.792 1.00 0.00 N ATOM 1113 CA GLU A 74 7.040 -4.972 15.849 1.00 0.00 C ATOM 1114 C GLU A 74 8.559 -5.056 15.767 1.00 0.00 C ATOM 1115 O GLU A 74 9.119 -4.747 16.536 1.00 0.00 O ATOM 1116 CB GLU A 74 6.436 -6.375 15.766 1.00 0.00 C ATOM 1117 CG GLU A 74 4.941 -6.434 16.043 1.00 0.00 C ATOM 1118 CD GLU A 74 4.388 -7.831 15.979 1.00 0.00 C ATOM 1119 OE1 GLU A 74 5.138 -8.733 15.694 1.00 0.00 O ATOM 1120 OE2 GLU A 74 3.215 -7.995 16.216 1.00 0.00 O1- ATOM 1121 OXT GLU A 74 9.083 -5.493 14.780 1.00 0.00 O1- ATOM 0 H GLU A 74 6.199 -4.630 13.959 1.00 0.00 H new ATOM 0 HA GLU A 74 6.773 -4.523 16.806 1.00 0.00 H new ATOM 0 HB2 GLU A 74 6.625 -6.780 14.772 1.00 0.00 H new ATOM 0 HB3 GLU A 74 6.951 -7.021 16.477 1.00 0.00 H new ATOM 0 HG2 GLU A 74 4.743 -6.015 17.030 1.00 0.00 H new ATOM 0 HG3 GLU A 74 4.418 -5.808 15.320 1.00 0.00 H new