USER MOD reduce.3.24.130724 H: found=0, std=0, add=436, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 0 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 53 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 55 TYR OH : rot 180:sc= -0.0437 USER MOD Set 2.1: A 38 CYS SG : rot -177:sc= 1.32 USER MOD Set 2.2: A 42 CYS SG : rot -140:sc= 1.05 USER MOD Set 2.3: A 69 CYS SG : rot -110:sc= -0.38 USER MOD Set 2.4: A 72 CYS SG : rot -66:sc= -1.83! USER MOD Single : A 8 THR OG1 : rot 167:sc= 0.955 USER MOD Single : A 11 GLN :FLIP amide:sc=-0.00696 F(o=-0.65,f=-0.007) USER MOD Single : A 14 GLN : amide:sc= -0.0784 X(o=-0.078,f=0) USER MOD Single : A 15 SER OG : rot -112:sc= 0.154! USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= -0.117 K(o=-0.12,f=-0.97) USER MOD Single : A 51 ASN : amide:sc= -7.31! C(o=-7.3!,f=-14!) USER MOD Single : A 57 ASN : amide:sc= -2.31! C(o=-2.3!,f=-8.9!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 53 N THR A 8 8.117 11.117 -13.612 1.00 0.00 N ATOM 54 CA THR A 8 6.661 11.058 -13.706 1.00 0.00 C ATOM 55 C THR A 8 6.059 10.301 -12.546 1.00 0.00 C ATOM 56 O THR A 8 6.706 9.464 -11.903 1.00 0.00 O ATOM 57 CB THR A 8 6.225 10.416 -15.068 1.00 0.00 C ATOM 58 OG1 THR A 8 7.078 9.328 -15.400 1.00 0.00 O ATOM 59 CG2 THR A 8 6.274 11.338 -16.305 1.00 0.00 C ATOM 0 HA THR A 8 6.285 12.080 -13.663 1.00 0.00 H new ATOM 0 HB THR A 8 5.188 10.140 -14.879 1.00 0.00 H new ATOM 0 HG1 THR A 8 6.676 8.806 -16.125 1.00 0.00 H new ATOM 0 HG21 THR A 8 5.951 10.783 -17.186 1.00 0.00 H new ATOM 0 HG22 THR A 8 5.612 12.190 -16.150 1.00 0.00 H new ATOM 0 HG23 THR A 8 7.294 11.693 -16.454 1.00 0.00 H new ATOM 60 N ASP A 9 4.662 10.648 -12.197 1.00 0.00 N ATOM 61 CA ASP A 9 3.900 9.882 -11.216 1.00 0.00 C ATOM 62 C ASP A 9 3.943 8.405 -11.537 1.00 0.00 C ATOM 63 O ASP A 9 3.681 7.546 -10.685 1.00 0.00 O ATOM 64 CB ASP A 9 2.444 10.409 -11.126 1.00 0.00 C ATOM 65 CG ASP A 9 1.424 9.784 -12.089 1.00 0.00 C ATOM 66 OD1 ASP A 9 0.845 8.733 -11.856 1.00 0.00 O ATOM 67 OD2 ASP A 9 1.258 10.513 -13.233 1.00 0.00 O ATOM 0 H ASP A 9 4.151 11.428 -12.610 1.00 0.00 H new ATOM 0 HA ASP A 9 4.360 10.015 -10.237 1.00 0.00 H new ATOM 0 HB2 ASP A 9 2.089 10.255 -10.107 1.00 0.00 H new ATOM 0 HB3 ASP A 9 2.460 11.485 -11.299 1.00 0.00 H new ATOM 68 N ASP A 10 4.277 8.045 -12.933 1.00 0.00 N ATOM 69 CA ASP A 10 4.282 6.659 -13.391 1.00 0.00 C ATOM 70 C ASP A 10 5.486 5.916 -12.862 1.00 0.00 C ATOM 71 O ASP A 10 5.389 4.759 -12.422 1.00 0.00 O ATOM 72 CB ASP A 10 4.185 6.596 -14.937 1.00 0.00 C ATOM 73 CG ASP A 10 5.502 6.692 -15.721 1.00 0.00 C ATOM 74 OD1 ASP A 10 6.473 5.989 -15.483 1.00 0.00 O ATOM 75 OD2 ASP A 10 5.456 7.624 -16.720 1.00 0.00 O ATOM 0 H ASP A 10 4.521 8.726 -13.652 1.00 0.00 H new ATOM 0 HA ASP A 10 3.402 6.157 -12.990 1.00 0.00 H new ATOM 0 HB2 ASP A 10 3.696 5.660 -15.208 1.00 0.00 H new ATOM 0 HB3 ASP A 10 3.533 7.404 -15.269 1.00 0.00 H new ATOM 76 N GLN A 11 6.776 6.641 -12.855 1.00 0.00 N ATOM 77 CA GLN A 11 7.977 6.064 -12.253 1.00 0.00 C ATOM 78 C GLN A 11 7.768 5.822 -10.775 1.00 0.00 C ATOM 79 O GLN A 11 8.030 4.740 -10.234 1.00 0.00 O ATOM 80 CB GLN A 11 9.162 7.022 -12.496 1.00 0.00 C ATOM 81 CG GLN A 11 10.210 7.138 -11.339 1.00 0.00 C ATOM 82 CD GLN A 11 11.705 7.115 -11.680 1.00 0.00 C ATOM 83 OE1 GLN A 11 12.097 7.284 -12.917 1.00 0.00 O flip ATOM 84 NE2 GLN A 11 12.548 6.946 -10.813 1.00 0.00 N flip ATOM 0 H GLN A 11 6.911 7.568 -13.259 1.00 0.00 H new ATOM 0 HA GLN A 11 8.193 5.100 -12.713 1.00 0.00 H new ATOM 0 HB2 GLN A 11 9.683 6.700 -13.398 1.00 0.00 H new ATOM 0 HB3 GLN A 11 8.762 8.016 -12.696 1.00 0.00 H new ATOM 0 HG2 GLN A 11 10.009 8.067 -10.806 1.00 0.00 H new ATOM 0 HG3 GLN A 11 10.020 6.323 -10.641 1.00 0.00 H new ATOM 0 HE21 GLN A 11 12.262 6.813 -9.843 1.00 0.00 H new ATOM 0 HE22 GLN A 11 13.538 6.938 -11.059 1.00 0.00 H new ATOM 85 N ARG A 12 7.193 6.953 -10.014 1.00 0.00 N ATOM 86 CA ARG A 12 6.764 6.857 -8.626 1.00 0.00 C ATOM 87 C ARG A 12 6.032 5.569 -8.331 1.00 0.00 C ATOM 88 O ARG A 12 6.495 4.627 -7.654 1.00 0.00 O ATOM 89 CB ARG A 12 5.817 8.071 -8.338 1.00 0.00 C ATOM 90 CG ARG A 12 6.495 9.323 -7.732 1.00 0.00 C ATOM 91 CD ARG A 12 8.016 9.345 -7.935 1.00 0.00 C ATOM 92 NE ARG A 12 8.493 10.732 -7.700 1.00 0.00 N ATOM 93 CZ ARG A 12 8.371 11.742 -8.550 1.00 0.00 C ATOM 94 NH1 ARG A 12 7.816 11.651 -9.723 1.00 0.00 N ATOM 95 NH2 ARG A 12 8.833 12.885 -8.185 1.00 0.00 N ATOM 0 H ARG A 12 7.059 7.881 -10.417 1.00 0.00 H new ATOM 0 HA ARG A 12 7.647 6.870 -7.988 1.00 0.00 H new ATOM 0 HB2 ARG A 12 5.332 8.359 -9.271 1.00 0.00 H new ATOM 0 HB3 ARG A 12 5.031 7.742 -7.659 1.00 0.00 H new ATOM 0 HG2 ARG A 12 6.062 10.216 -8.182 1.00 0.00 H new ATOM 0 HG3 ARG A 12 6.277 9.366 -6.665 1.00 0.00 H new ATOM 0 HD2 ARG A 12 8.502 8.654 -7.247 1.00 0.00 H new ATOM 0 HD3 ARG A 12 8.270 9.021 -8.944 1.00 0.00 H new ATOM 0 HE ARG A 12 8.953 10.923 -6.810 1.00 0.00 H new ATOM 0 HH11 ARG A 12 7.439 10.758 -10.041 1.00 0.00 H new ATOM 0 HH12 ARG A 12 7.757 12.473 -10.325 1.00 0.00 H new ATOM 0 HH21 ARG A 12 9.273 12.989 -7.271 1.00 0.00 H new ATOM 0 HH22 ARG A 12 8.759 13.688 -8.810 1.00 0.00 H new ATOM 96 N TRP A 13 4.651 5.496 -8.884 1.00 0.00 N ATOM 97 CA TRP A 13 3.747 4.421 -8.504 1.00 0.00 C ATOM 98 C TRP A 13 4.210 3.099 -9.064 1.00 0.00 C ATOM 99 O TRP A 13 3.875 2.023 -8.539 1.00 0.00 O ATOM 100 CB TRP A 13 2.301 4.742 -9.000 1.00 0.00 C ATOM 101 CG TRP A 13 1.454 3.455 -8.999 1.00 0.00 C ATOM 102 CD1 TRP A 13 1.153 2.668 -10.127 1.00 0.00 C ATOM 103 CD2 TRP A 13 0.946 2.786 -7.908 1.00 0.00 C ATOM 104 NE1 TRP A 13 0.452 1.501 -9.762 1.00 0.00 N ATOM 105 CE2 TRP A 13 0.343 1.594 -8.381 1.00 0.00 C ATOM 106 CE3 TRP A 13 0.978 3.086 -6.521 1.00 0.00 C ATOM 107 CZ2 TRP A 13 -0.237 0.693 -7.460 1.00 0.00 C ATOM 108 CZ3 TRP A 13 0.383 2.187 -5.636 1.00 0.00 C ATOM 109 CH2 TRP A 13 -0.218 1.008 -6.098 1.00 0.00 C ATOM 0 H TRP A 13 4.260 6.170 -9.542 1.00 0.00 H new ATOM 0 HA TRP A 13 3.744 4.343 -7.417 1.00 0.00 H new ATOM 0 HB2 TRP A 13 1.843 5.491 -8.354 1.00 0.00 H new ATOM 0 HB3 TRP A 13 2.336 5.165 -10.004 1.00 0.00 H new ATOM 0 HD1 TRP A 13 1.424 2.925 -11.140 1.00 0.00 H new ATOM 0 HE1 TRP A 13 0.105 0.760 -10.371 1.00 0.00 H new ATOM 0 HE3 TRP A 13 1.451 3.987 -6.160 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -0.689 -0.226 -7.803 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 0.385 2.403 -4.578 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -0.674 0.332 -5.390 1.00 0.00 H new ATOM 110 N GLN A 14 5.044 3.134 -10.289 1.00 0.00 N ATOM 111 CA GLN A 14 5.698 1.927 -10.793 1.00 0.00 C ATOM 112 C GLN A 14 6.592 1.349 -9.712 1.00 0.00 C ATOM 113 O GLN A 14 6.686 0.130 -9.519 1.00 0.00 O ATOM 114 CB GLN A 14 6.513 2.258 -12.058 1.00 0.00 C ATOM 115 CG GLN A 14 7.469 1.132 -12.579 1.00 0.00 C ATOM 116 CD GLN A 14 8.195 1.316 -13.917 1.00 0.00 C ATOM 117 OE1 GLN A 14 9.267 0.773 -14.134 1.00 0.00 O ATOM 118 NE2 GLN A 14 7.662 2.058 -14.855 1.00 0.00 N ATOM 0 H GLN A 14 5.213 3.973 -10.844 1.00 0.00 H new ATOM 0 HA GLN A 14 4.944 1.186 -11.058 1.00 0.00 H new ATOM 0 HB2 GLN A 14 5.817 2.513 -12.857 1.00 0.00 H new ATOM 0 HB3 GLN A 14 7.109 3.148 -11.858 1.00 0.00 H new ATOM 0 HG2 GLN A 14 8.229 0.970 -11.815 1.00 0.00 H new ATOM 0 HG3 GLN A 14 6.885 0.214 -12.648 1.00 0.00 H new ATOM 0 HE21 GLN A 14 6.767 2.520 -14.693 1.00 0.00 H new ATOM 0 HE22 GLN A 14 8.142 2.174 -15.748 1.00 0.00 H new ATOM 119 N SER A 15 7.368 2.342 -8.931 1.00 0.00 N ATOM 120 CA SER A 15 8.124 1.958 -7.743 1.00 0.00 C ATOM 121 C SER A 15 7.254 1.140 -6.812 1.00 0.00 C ATOM 122 O SER A 15 7.724 0.194 -6.162 1.00 0.00 O ATOM 123 CB SER A 15 8.743 3.183 -7.028 1.00 0.00 C ATOM 124 OG SER A 15 9.170 2.893 -5.692 1.00 0.00 O ATOM 0 H SER A 15 7.424 3.333 -9.165 1.00 0.00 H new ATOM 0 HA SER A 15 8.961 1.336 -8.061 1.00 0.00 H new ATOM 0 HB2 SER A 15 9.594 3.542 -7.606 1.00 0.00 H new ATOM 0 HB3 SER A 15 8.011 3.990 -7.003 1.00 0.00 H new ATOM 0 HG SER A 15 8.600 3.372 -5.055 1.00 0.00 H new ATOM 125 N VAL A 16 5.826 1.556 -6.692 1.00 0.00 N ATOM 126 CA VAL A 16 4.883 0.718 -5.954 1.00 0.00 C ATOM 127 C VAL A 16 4.651 -0.628 -6.593 1.00 0.00 C ATOM 128 O VAL A 16 4.824 -1.701 -5.955 1.00 0.00 O ATOM 129 CB VAL A 16 3.525 1.449 -5.634 1.00 0.00 C ATOM 130 CG1 VAL A 16 2.785 0.967 -4.343 1.00 0.00 C ATOM 131 CG2 VAL A 16 3.659 2.979 -5.456 1.00 0.00 C ATOM 0 H VAL A 16 5.431 2.406 -7.094 1.00 0.00 H new ATOM 0 HA VAL A 16 5.371 0.527 -4.998 1.00 0.00 H new ATOM 0 HB VAL A 16 2.951 1.187 -6.523 1.00 0.00 H new ATOM 0 HG11 VAL A 16 1.864 1.536 -4.218 1.00 0.00 H new ATOM 0 HG12 VAL A 16 2.548 -0.093 -4.434 1.00 0.00 H new ATOM 0 HG13 VAL A 16 3.427 1.122 -3.476 1.00 0.00 H new ATOM 0 HG21 VAL A 16 2.680 3.407 -5.238 1.00 0.00 H new ATOM 0 HG22 VAL A 16 4.339 3.191 -4.631 1.00 0.00 H new ATOM 0 HG23 VAL A 16 4.052 3.419 -6.373 1.00 0.00 H new ATOM 132 N LEU A 17 4.162 -0.670 -7.986 1.00 0.00 N ATOM 133 CA LEU A 17 3.740 -1.927 -8.637 1.00 0.00 C ATOM 134 C LEU A 17 4.740 -3.015 -8.341 1.00 0.00 C ATOM 135 O LEU A 17 4.421 -4.147 -7.955 1.00 0.00 O ATOM 136 CB LEU A 17 3.595 -1.724 -10.172 1.00 0.00 C ATOM 137 CG LEU A 17 2.322 -0.985 -10.676 1.00 0.00 C ATOM 138 CD1 LEU A 17 2.129 -1.225 -12.178 1.00 0.00 C ATOM 139 CD2 LEU A 17 1.056 -1.414 -9.916 1.00 0.00 C ATOM 0 H LEU A 17 4.084 0.154 -8.582 1.00 0.00 H new ATOM 0 HA LEU A 17 2.769 -2.222 -8.240 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.467 -1.172 -10.523 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.626 -2.705 -10.647 1.00 0.00 H new ATOM 0 HG LEU A 17 2.475 0.078 -10.488 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.235 -0.703 -12.518 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.997 -0.850 -12.721 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.018 -2.293 -12.364 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.196 -0.870 -10.305 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.898 -2.484 -10.048 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.176 -1.193 -8.855 1.00 0.00 H new ATOM 205 N PHE A 27 9.469 7.329 -0.074 1.00 0.00 N ATOM 206 CA PHE A 27 8.157 7.922 -0.367 1.00 0.00 C ATOM 207 C PHE A 27 7.051 7.026 0.129 1.00 0.00 C ATOM 208 O PHE A 27 7.202 5.795 0.241 1.00 0.00 O ATOM 209 CB PHE A 27 8.012 8.231 -1.881 1.00 0.00 C ATOM 210 CG PHE A 27 7.661 7.091 -2.857 1.00 0.00 C ATOM 211 CD1 PHE A 27 8.671 6.269 -3.361 1.00 0.00 C ATOM 212 CD2 PHE A 27 6.338 6.887 -3.267 1.00 0.00 C ATOM 213 CE1 PHE A 27 8.365 5.252 -4.259 1.00 0.00 C ATOM 214 CE2 PHE A 27 6.032 5.869 -4.164 1.00 0.00 C ATOM 215 CZ PHE A 27 7.044 5.053 -4.662 1.00 0.00 C ATOM 0 HA PHE A 27 8.079 8.871 0.164 1.00 0.00 H new ATOM 0 HB2 PHE A 27 7.245 8.999 -1.986 1.00 0.00 H new ATOM 0 HB3 PHE A 27 8.951 8.671 -2.216 1.00 0.00 H new ATOM 0 HD1 PHE A 27 9.694 6.424 -3.052 1.00 0.00 H new ATOM 0 HD2 PHE A 27 5.552 7.522 -2.885 1.00 0.00 H new ATOM 0 HE1 PHE A 27 9.149 4.617 -4.644 1.00 0.00 H new ATOM 0 HE2 PHE A 27 5.010 5.712 -4.474 1.00 0.00 H new ATOM 0 HZ PHE A 27 6.806 4.265 -5.361 1.00 0.00 H new ATOM 216 N VAL A 28 5.781 7.672 0.517 1.00 0.00 N ATOM 217 CA VAL A 28 4.676 6.986 1.209 1.00 0.00 C ATOM 218 C VAL A 28 3.415 7.096 0.390 1.00 0.00 C ATOM 219 O VAL A 28 3.245 8.070 -0.380 1.00 0.00 O ATOM 220 CB VAL A 28 4.509 7.658 2.630 1.00 0.00 C ATOM 221 CG1 VAL A 28 5.742 7.561 3.576 1.00 0.00 C ATOM 222 CG2 VAL A 28 4.180 9.171 2.567 1.00 0.00 C ATOM 0 H VAL A 28 5.585 8.655 0.326 1.00 0.00 H new ATOM 0 HA VAL A 28 4.888 5.924 1.335 1.00 0.00 H new ATOM 0 HB VAL A 28 3.684 7.069 3.030 1.00 0.00 H new ATOM 0 HG11 VAL A 28 5.515 8.055 4.521 1.00 0.00 H new ATOM 0 HG12 VAL A 28 5.977 6.513 3.761 1.00 0.00 H new ATOM 0 HG13 VAL A 28 6.598 8.047 3.109 1.00 0.00 H new ATOM 0 HG21 VAL A 28 4.080 9.564 3.579 1.00 0.00 H new ATOM 0 HG22 VAL A 28 4.984 9.697 2.051 1.00 0.00 H new ATOM 0 HG23 VAL A 28 3.245 9.318 2.026 1.00 0.00 H new ATOM 223 N PHE A 29 2.383 6.045 0.511 1.00 0.00 N ATOM 224 CA PHE A 29 1.221 5.992 -0.377 1.00 0.00 C ATOM 225 C PHE A 29 -0.038 5.732 0.415 1.00 0.00 C ATOM 226 O PHE A 29 -0.089 4.848 1.283 1.00 0.00 O ATOM 227 CB PHE A 29 1.401 4.847 -1.418 1.00 0.00 C ATOM 228 CG PHE A 29 0.737 3.503 -1.077 1.00 0.00 C ATOM 229 CD1 PHE A 29 -0.593 3.253 -1.420 1.00 0.00 C ATOM 230 CD2 PHE A 29 1.486 2.503 -0.446 1.00 0.00 C ATOM 231 CE1 PHE A 29 -1.170 2.019 -1.131 1.00 0.00 C ATOM 232 CE2 PHE A 29 0.908 1.274 -0.151 1.00 0.00 C ATOM 233 CZ PHE A 29 -0.420 1.030 -0.496 1.00 0.00 C ATOM 0 H PHE A 29 2.411 5.301 1.208 1.00 0.00 H new ATOM 0 HA PHE A 29 1.138 6.952 -0.887 1.00 0.00 H new ATOM 0 HB2 PHE A 29 1.007 5.190 -2.375 1.00 0.00 H new ATOM 0 HB3 PHE A 29 2.469 4.675 -1.556 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -1.176 4.018 -1.911 1.00 0.00 H new ATOM 0 HD2 PHE A 29 2.518 2.687 -0.187 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -2.199 1.828 -1.399 1.00 0.00 H new ATOM 0 HE2 PHE A 29 1.487 0.509 0.345 1.00 0.00 H new ATOM 0 HZ PHE A 29 -0.869 0.074 -0.271 1.00 0.00 H new ATOM 234 N ALA A 30 -1.199 6.597 0.114 1.00 0.00 N ATOM 235 CA ALA A 30 -2.418 6.561 0.917 1.00 0.00 C ATOM 236 C ALA A 30 -3.604 6.161 0.071 1.00 0.00 C ATOM 237 O ALA A 30 -4.207 6.982 -0.635 1.00 0.00 O ATOM 238 CB ALA A 30 -2.589 7.941 1.574 1.00 0.00 C ATOM 0 H ALA A 30 -1.225 7.263 -0.658 1.00 0.00 H new ATOM 0 HA ALA A 30 -2.348 5.807 1.701 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -3.494 7.945 2.182 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -1.726 8.153 2.206 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -2.668 8.705 0.801 1.00 0.00 H new ATOM 239 N VAL A 31 -4.025 4.747 0.162 1.00 0.00 N ATOM 240 CA VAL A 31 -5.244 4.264 -0.485 1.00 0.00 C ATOM 241 C VAL A 31 -6.418 4.362 0.459 1.00 0.00 C ATOM 242 O VAL A 31 -6.532 3.604 1.436 1.00 0.00 O ATOM 243 CB VAL A 31 -5.032 2.784 -0.992 1.00 0.00 C ATOM 244 CG1 VAL A 31 -4.207 1.844 -0.068 1.00 0.00 C ATOM 245 CG2 VAL A 31 -6.350 2.018 -1.266 1.00 0.00 C ATOM 0 H VAL A 31 -3.506 4.031 0.670 1.00 0.00 H new ATOM 0 HA VAL A 31 -5.464 4.891 -1.349 1.00 0.00 H new ATOM 0 HB VAL A 31 -4.470 2.984 -1.904 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -4.132 0.858 -0.526 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -3.208 2.256 0.071 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -4.702 1.758 0.899 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -6.120 1.010 -1.611 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -6.936 1.963 -0.349 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -6.923 2.541 -2.032 1.00 0.00 H new ATOM 246 N ARG A 32 -7.447 5.378 0.142 1.00 0.00 N ATOM 247 CA ARG A 32 -8.523 5.692 1.077 1.00 0.00 C ATOM 248 C ARG A 32 -9.672 4.716 1.001 1.00 0.00 C ATOM 249 O ARG A 32 -10.795 5.018 1.457 1.00 0.00 O ATOM 250 CB ARG A 32 -9.005 7.146 0.810 1.00 0.00 C ATOM 251 CG ARG A 32 -9.757 7.816 1.990 1.00 0.00 C ATOM 252 CD ARG A 32 -8.806 8.334 3.076 1.00 0.00 C ATOM 253 NE ARG A 32 -9.373 9.587 3.636 1.00 0.00 N ATOM 254 CZ ARG A 32 -10.155 9.668 4.704 1.00 0.00 C ATOM 255 NH1 ARG A 32 -10.539 8.647 5.411 1.00 0.00 N ATOM 256 NH2 ARG A 32 -10.555 10.837 5.059 1.00 0.00 N ATOM 0 H ARG A 32 -7.473 5.912 -0.727 1.00 0.00 H new ATOM 0 HA ARG A 32 -8.131 5.606 2.090 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -8.140 7.758 0.556 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -9.659 7.141 -0.062 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -10.356 8.644 1.611 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -10.449 7.098 2.430 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -8.685 7.588 3.862 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -7.817 8.519 2.657 1.00 0.00 H new ATOM 0 HE ARG A 32 -9.142 10.459 3.159 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -10.237 7.707 5.155 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -11.142 8.786 6.222 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -10.270 11.658 4.525 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -11.158 10.944 5.875 1.00 0.00 H new ATOM 257 N THR A 33 -9.429 3.396 0.382 1.00 0.00 N ATOM 258 CA THR A 33 -10.464 2.364 0.331 1.00 0.00 C ATOM 259 C THR A 33 -10.251 1.337 1.418 1.00 0.00 C ATOM 260 O THR A 33 -11.200 0.752 1.960 1.00 0.00 O ATOM 261 CB THR A 33 -10.501 1.683 -1.077 1.00 0.00 C ATOM 262 OG1 THR A 33 -11.825 1.273 -1.399 1.00 0.00 O ATOM 263 CG2 THR A 33 -9.651 0.404 -1.242 1.00 0.00 C ATOM 0 H THR A 33 -8.542 3.122 -0.042 1.00 0.00 H new ATOM 0 HA THR A 33 -11.428 2.843 0.501 1.00 0.00 H new ATOM 0 HB THR A 33 -10.094 2.460 -1.724 1.00 0.00 H new ATOM 0 HG1 THR A 33 -11.831 0.851 -2.283 1.00 0.00 H new ATOM 0 HG21 THR A 33 -9.758 0.025 -2.258 1.00 0.00 H new ATOM 0 HG22 THR A 33 -8.604 0.636 -1.049 1.00 0.00 H new ATOM 0 HG23 THR A 33 -9.991 -0.353 -0.535 1.00 0.00 H new ATOM 264 N THR A 34 -8.846 1.046 1.775 1.00 0.00 N ATOM 265 CA THR A 34 -8.487 0.210 2.915 1.00 0.00 C ATOM 266 C THR A 34 -8.157 1.051 4.127 1.00 0.00 C ATOM 267 O THR A 34 -7.918 0.522 5.226 1.00 0.00 O ATOM 268 CB THR A 34 -7.288 -0.731 2.555 1.00 0.00 C ATOM 269 OG1 THR A 34 -7.708 -1.756 1.664 1.00 0.00 O ATOM 270 CG2 THR A 34 -6.633 -1.486 3.732 1.00 0.00 C ATOM 0 H THR A 34 -8.046 1.406 1.255 1.00 0.00 H new ATOM 0 HA THR A 34 -9.350 -0.409 3.160 1.00 0.00 H new ATOM 0 HB THR A 34 -6.560 -0.035 2.138 1.00 0.00 H new ATOM 0 HG1 THR A 34 -6.947 -2.334 1.448 1.00 0.00 H new ATOM 0 HG21 THR A 34 -5.817 -2.104 3.358 1.00 0.00 H new ATOM 0 HG22 THR A 34 -6.243 -0.768 4.453 1.00 0.00 H new ATOM 0 HG23 THR A 34 -7.376 -2.120 4.216 1.00 0.00 H new ATOM 271 N GLY A 35 -8.166 2.521 3.963 1.00 0.00 N ATOM 272 CA GLY A 35 -7.864 3.419 5.076 1.00 0.00 C ATOM 273 C GLY A 35 -6.482 3.152 5.622 1.00 0.00 C ATOM 274 O GLY A 35 -6.252 3.160 6.841 1.00 0.00 O ATOM 0 H GLY A 35 -8.378 2.995 3.085 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -7.934 4.454 4.743 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -8.603 3.287 5.866 1.00 0.00 H new ATOM 275 N ILE A 36 -5.403 2.918 4.632 1.00 0.00 N ATOM 276 CA ILE A 36 -4.011 2.763 5.037 1.00 0.00 C ATOM 277 C ILE A 36 -3.080 3.661 4.260 1.00 0.00 C ATOM 278 O ILE A 36 -3.132 3.763 3.024 1.00 0.00 O ATOM 279 CB ILE A 36 -3.536 1.252 5.005 1.00 0.00 C ATOM 280 CG1 ILE A 36 -3.114 0.677 3.617 1.00 0.00 C ATOM 281 CG2 ILE A 36 -4.595 0.282 5.625 1.00 0.00 C ATOM 282 CD1 ILE A 36 -1.824 -0.173 3.601 1.00 0.00 C ATOM 0 H ILE A 36 -5.558 2.851 3.626 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.962 3.086 6.077 1.00 0.00 H new ATOM 0 HB ILE A 36 -2.631 1.297 5.611 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.932 0.067 3.234 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -2.986 1.509 2.925 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.222 -0.741 5.579 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.775 0.556 6.664 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -5.527 0.354 5.064 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.629 -0.519 2.586 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -0.985 0.432 3.946 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -1.946 -1.032 4.260 1.00 0.00 H new ATOM 283 N PHE A 37 -2.129 4.459 5.063 1.00 0.00 N ATOM 284 CA PHE A 37 -1.019 5.212 4.451 1.00 0.00 C ATOM 285 C PHE A 37 0.273 4.502 4.778 1.00 0.00 C ATOM 286 O PHE A 37 0.690 4.480 5.967 1.00 0.00 O ATOM 287 CB PHE A 37 -1.000 6.679 4.965 1.00 0.00 C ATOM 288 CG PHE A 37 -0.091 7.053 6.146 1.00 0.00 C ATOM 289 CD1 PHE A 37 1.231 7.454 5.938 1.00 0.00 C ATOM 290 CD2 PHE A 37 -0.594 6.989 7.450 1.00 0.00 C ATOM 291 CE1 PHE A 37 2.037 7.794 7.021 1.00 0.00 C ATOM 292 CE2 PHE A 37 0.208 7.340 8.530 1.00 0.00 C ATOM 293 CZ PHE A 37 1.525 7.740 8.316 1.00 0.00 C ATOM 0 H PHE A 37 -2.177 4.540 6.079 1.00 0.00 H new ATOM 0 HA PHE A 37 -1.148 5.254 3.369 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -0.724 7.316 4.125 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -2.021 6.942 5.242 1.00 0.00 H new ATOM 0 HD1 PHE A 37 1.629 7.500 4.935 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -1.610 6.665 7.618 1.00 0.00 H new ATOM 0 HE1 PHE A 37 3.060 8.100 6.857 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -0.190 7.303 9.533 1.00 0.00 H new ATOM 0 HZ PHE A 37 2.150 8.009 9.155 1.00 0.00 H new ATOM 294 N CYS A 38 1.013 3.790 3.717 1.00 0.00 N ATOM 295 CA CYS A 38 2.144 2.904 4.030 1.00 0.00 C ATOM 296 C CYS A 38 3.255 3.078 3.028 1.00 0.00 C ATOM 297 O CYS A 38 3.057 3.637 1.933 1.00 0.00 O ATOM 298 CB CYS A 38 1.592 1.470 4.116 1.00 0.00 C ATOM 299 SG CYS A 38 2.484 0.284 3.096 1.00 0.00 S ATOM 0 H CYS A 38 0.796 3.863 2.723 1.00 0.00 H new ATOM 0 HA CYS A 38 2.599 3.153 4.989 1.00 0.00 H new ATOM 0 HB2 CYS A 38 1.626 1.140 5.154 1.00 0.00 H new ATOM 0 HB3 CYS A 38 0.544 1.476 3.817 1.00 0.00 H new ATOM 0 HG CYS A 38 1.907 -0.878 3.177 1.00 0.00 H new ATOM 300 N ARG A 39 4.584 2.551 3.408 1.00 0.00 N ATOM 301 CA ARG A 39 5.705 2.578 2.452 1.00 0.00 C ATOM 302 C ARG A 39 5.504 1.500 1.413 1.00 0.00 C ATOM 303 O ARG A 39 5.098 0.367 1.706 1.00 0.00 O ATOM 304 CB ARG A 39 7.036 2.464 3.233 1.00 0.00 C ATOM 305 CG ARG A 39 8.180 1.694 2.522 1.00 0.00 C ATOM 306 CD ARG A 39 9.514 1.808 3.274 1.00 0.00 C ATOM 307 NE ARG A 39 10.587 1.235 2.424 1.00 0.00 N ATOM 308 CZ ARG A 39 11.005 -0.024 2.456 1.00 0.00 C ATOM 309 NH1 ARG A 39 10.519 -0.939 3.241 1.00 0.00 N ATOM 310 NH2 ARG A 39 11.955 -0.354 1.654 1.00 0.00 N ATOM 0 H ARG A 39 4.807 2.150 4.319 1.00 0.00 H new ATOM 0 HA ARG A 39 5.744 3.521 1.907 1.00 0.00 H new ATOM 0 HB2 ARG A 39 7.388 3.470 3.459 1.00 0.00 H new ATOM 0 HB3 ARG A 39 6.834 1.975 4.186 1.00 0.00 H new ATOM 0 HG2 ARG A 39 7.906 0.643 2.431 1.00 0.00 H new ATOM 0 HG3 ARG A 39 8.301 2.081 1.510 1.00 0.00 H new ATOM 0 HD2 ARG A 39 9.730 2.851 3.504 1.00 0.00 H new ATOM 0 HD3 ARG A 39 9.459 1.276 4.224 1.00 0.00 H new ATOM 0 HE ARG A 39 11.041 1.861 1.759 1.00 0.00 H new ATOM 0 HH11 ARG A 39 9.765 -0.708 3.888 1.00 0.00 H new ATOM 0 HH12 ARG A 39 10.891 -1.888 3.210 1.00 0.00 H new ATOM 0 HH21 ARG A 39 12.357 0.342 1.026 1.00 0.00 H new ATOM 0 HH22 ARG A 39 12.306 -1.312 1.646 1.00 0.00 H new ATOM 311 N PRO A 40 5.872 1.842 0.026 1.00 0.00 N ATOM 312 CA PRO A 40 5.742 1.008 -1.248 1.00 0.00 C ATOM 313 C PRO A 40 5.418 -0.460 -1.276 1.00 0.00 C ATOM 314 O PRO A 40 4.636 -0.892 -2.184 1.00 0.00 O ATOM 315 CB PRO A 40 7.072 1.272 -1.980 1.00 0.00 C ATOM 316 CG PRO A 40 7.236 2.776 -1.714 1.00 0.00 C ATOM 317 CD PRO A 40 6.474 3.130 -0.436 1.00 0.00 C ATOM 0 HA PRO A 40 4.801 1.341 -1.685 1.00 0.00 H new ATOM 0 HB2 PRO A 40 7.895 0.685 -1.572 1.00 0.00 H new ATOM 0 HB3 PRO A 40 7.014 1.042 -3.044 1.00 0.00 H new ATOM 0 HG2 PRO A 40 8.291 3.029 -1.608 1.00 0.00 H new ATOM 0 HG3 PRO A 40 6.853 3.353 -2.555 1.00 0.00 H new ATOM 0 HD2 PRO A 40 7.141 3.547 0.319 1.00 0.00 H new ATOM 0 HD3 PRO A 40 5.705 3.878 -0.630 1.00 0.00 H new ATOM 318 N SER A 41 5.942 -1.403 -0.267 1.00 0.00 N ATOM 319 CA SER A 41 5.808 -2.851 -0.405 1.00 0.00 C ATOM 320 C SER A 41 4.690 -3.521 0.350 1.00 0.00 C ATOM 321 O SER A 41 4.879 -4.624 0.921 1.00 0.00 O ATOM 322 CB SER A 41 7.179 -3.531 -0.114 1.00 0.00 C ATOM 323 OG SER A 41 7.350 -4.760 -0.825 1.00 0.00 O ATOM 0 H SER A 41 6.426 -1.109 0.582 1.00 0.00 H new ATOM 0 HA SER A 41 5.504 -2.997 -1.442 1.00 0.00 H new ATOM 0 HB2 SER A 41 7.983 -2.846 -0.383 1.00 0.00 H new ATOM 0 HB3 SER A 41 7.266 -3.720 0.956 1.00 0.00 H new ATOM 0 HG SER A 41 8.225 -5.144 -0.609 1.00 0.00 H new ATOM 324 N CYS A 42 3.341 -2.883 0.357 1.00 0.00 N ATOM 325 CA CYS A 42 2.187 -3.582 0.919 1.00 0.00 C ATOM 326 C CYS A 42 1.783 -4.720 -0.017 1.00 0.00 C ATOM 327 O CYS A 42 1.188 -4.508 -1.081 1.00 0.00 O ATOM 328 CB CYS A 42 1.004 -2.692 1.311 1.00 0.00 C ATOM 329 SG CYS A 42 0.752 -2.687 3.125 1.00 0.00 S ATOM 0 H CYS A 42 3.140 -1.954 -0.014 1.00 0.00 H new ATOM 0 HA CYS A 42 2.507 -3.989 1.878 1.00 0.00 H new ATOM 0 HB2 CYS A 42 1.180 -1.674 0.963 1.00 0.00 H new ATOM 0 HB3 CYS A 42 0.099 -3.046 0.816 1.00 0.00 H new ATOM 0 HG CYS A 42 -0.521 -2.716 3.386 1.00 0.00 H new ATOM 330 N ARG A 43 2.176 -6.086 0.398 1.00 0.00 N ATOM 331 CA ARG A 43 2.039 -7.260 -0.457 1.00 0.00 C ATOM 332 C ARG A 43 0.634 -7.814 -0.455 1.00 0.00 C ATOM 333 O ARG A 43 0.030 -8.049 -1.514 1.00 0.00 O ATOM 334 CB ARG A 43 3.062 -8.337 0.014 1.00 0.00 C ATOM 335 CG ARG A 43 4.216 -7.805 0.904 1.00 0.00 C ATOM 336 CD ARG A 43 4.534 -8.738 2.080 1.00 0.00 C ATOM 337 NE ARG A 43 4.724 -10.111 1.548 1.00 0.00 N ATOM 338 CZ ARG A 43 4.553 -11.234 2.233 1.00 0.00 C ATOM 339 NH1 ARG A 43 4.196 -11.284 3.482 1.00 0.00 N ATOM 340 NH2 ARG A 43 4.755 -12.343 1.614 1.00 0.00 N ATOM 0 H ARG A 43 2.571 -6.295 1.315 1.00 0.00 H new ATOM 0 HA ARG A 43 2.247 -6.967 -1.486 1.00 0.00 H new ATOM 0 HB2 ARG A 43 2.525 -9.109 0.565 1.00 0.00 H new ATOM 0 HB3 ARG A 43 3.493 -8.815 -0.866 1.00 0.00 H new ATOM 0 HG2 ARG A 43 5.111 -7.677 0.294 1.00 0.00 H new ATOM 0 HG3 ARG A 43 3.949 -6.821 1.288 1.00 0.00 H new ATOM 0 HD2 ARG A 43 5.433 -8.404 2.598 1.00 0.00 H new ATOM 0 HD3 ARG A 43 3.723 -8.722 2.808 1.00 0.00 H new ATOM 0 HE ARG A 43 5.010 -10.198 0.573 1.00 0.00 H new ATOM 0 HH11 ARG A 43 4.028 -10.421 3.999 1.00 0.00 H new ATOM 0 HH12 ARG A 43 4.084 -12.186 3.945 1.00 0.00 H new ATOM 0 HH21 ARG A 43 5.036 -12.336 0.633 1.00 0.00 H new ATOM 0 HH22 ARG A 43 4.635 -13.230 2.104 1.00 0.00 H new ATOM 341 N ALA A 44 0.034 -8.097 0.866 1.00 0.00 N ATOM 342 CA ALA A 44 -1.361 -8.497 1.021 1.00 0.00 C ATOM 343 C ALA A 44 -2.239 -7.721 0.058 1.00 0.00 C ATOM 344 O ALA A 44 -2.001 -6.548 -0.251 1.00 0.00 O ATOM 345 CB ALA A 44 -1.760 -8.289 2.490 1.00 0.00 C ATOM 0 H ALA A 44 0.548 -8.032 1.745 1.00 0.00 H new ATOM 0 HA ALA A 44 -1.495 -9.550 0.775 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.801 -8.582 2.629 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.122 -8.899 3.130 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.640 -7.238 2.754 1.00 0.00 H new ATOM 346 N ARG A 45 -3.371 -8.496 -0.509 1.00 0.00 N ATOM 347 CA ARG A 45 -4.223 -7.983 -1.575 1.00 0.00 C ATOM 348 C ARG A 45 -4.512 -6.511 -1.371 1.00 0.00 C ATOM 349 O ARG A 45 -5.412 -6.114 -0.620 1.00 0.00 O ATOM 350 CB ARG A 45 -5.538 -8.808 -1.619 1.00 0.00 C ATOM 351 CG ARG A 45 -5.458 -10.140 -2.412 1.00 0.00 C ATOM 352 CD ARG A 45 -6.442 -10.187 -3.588 1.00 0.00 C ATOM 353 NE ARG A 45 -7.748 -9.647 -3.131 1.00 0.00 N ATOM 354 CZ ARG A 45 -8.816 -9.465 -3.896 1.00 0.00 C ATOM 355 NH1 ARG A 45 -8.862 -9.734 -5.168 1.00 0.00 N ATOM 356 NH2 ARG A 45 -9.873 -8.990 -3.338 1.00 0.00 N ATOM 0 H ARG A 45 -3.625 -9.432 -0.192 1.00 0.00 H new ATOM 0 HA ARG A 45 -3.707 -8.085 -2.529 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -5.842 -9.031 -0.596 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -6.321 -8.190 -2.057 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -4.443 -10.275 -2.787 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -5.663 -10.972 -1.739 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -6.061 -9.601 -4.424 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -6.559 -11.211 -3.944 1.00 0.00 H new ATOM 0 HE ARG A 45 -7.830 -9.395 -2.146 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -8.040 -10.111 -5.640 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -9.720 -9.568 -5.694 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -9.868 -8.768 -2.342 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -10.716 -8.835 -3.891 1.00 0.00 H new ATOM 357 N HIS A 46 -3.633 -5.577 -2.113 1.00 0.00 N ATOM 358 CA HIS A 46 -3.666 -4.134 -1.895 1.00 0.00 C ATOM 359 C HIS A 46 -4.538 -3.454 -2.924 1.00 0.00 C ATOM 360 O HIS A 46 -4.505 -3.774 -4.120 1.00 0.00 O ATOM 361 CB HIS A 46 -2.213 -3.645 -2.011 1.00 0.00 C ATOM 362 CG HIS A 46 -1.753 -3.532 -3.435 1.00 0.00 C ATOM 363 ND1 HIS A 46 -1.586 -4.590 -4.325 1.00 0.00 N ATOM 364 CD2 HIS A 46 -1.436 -2.316 -4.026 1.00 0.00 C ATOM 365 CE1 HIS A 46 -1.168 -3.913 -5.411 1.00 0.00 C ATOM 366 NE2 HIS A 46 -1.054 -2.560 -5.319 1.00 0.00 N ATOM 0 H HIS A 46 -2.956 -5.876 -2.815 1.00 0.00 H new ATOM 0 HA HIS A 46 -4.087 -3.896 -0.918 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -2.121 -2.674 -1.525 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -1.558 -4.333 -1.475 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -1.482 -1.348 -3.550 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -0.930 -4.429 -6.329 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -0.758 -1.895 -6.033 1.00 0.00 H new ATOM 367 N ALA A 47 -5.460 -2.414 -2.415 1.00 0.00 N ATOM 368 CA ALA A 47 -6.273 -1.603 -3.316 1.00 0.00 C ATOM 369 C ALA A 47 -5.431 -1.034 -4.434 1.00 0.00 C ATOM 370 O ALA A 47 -4.195 -1.118 -4.431 1.00 0.00 O ATOM 371 CB ALA A 47 -6.974 -0.522 -2.477 1.00 0.00 C ATOM 0 H ALA A 47 -5.586 -2.200 -1.426 1.00 0.00 H new ATOM 0 HA ALA A 47 -7.035 -2.210 -3.806 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -7.590 0.100 -3.126 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -7.604 -0.997 -1.725 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -6.225 0.098 -1.984 1.00 0.00 H new ATOM 372 N LEU A 48 -6.164 -0.335 -5.512 1.00 0.00 N ATOM 373 CA LEU A 48 -5.504 0.107 -6.735 1.00 0.00 C ATOM 374 C LEU A 48 -4.820 1.443 -6.552 1.00 0.00 C ATOM 375 O LEU A 48 -4.748 2.014 -5.456 1.00 0.00 O ATOM 376 CB LEU A 48 -6.521 0.167 -7.912 1.00 0.00 C ATOM 377 CG LEU A 48 -8.017 -0.120 -7.612 1.00 0.00 C ATOM 378 CD1 LEU A 48 -8.629 1.036 -6.808 1.00 0.00 C ATOM 379 CD2 LEU A 48 -8.844 -0.353 -8.888 1.00 0.00 C ATOM 0 H LEU A 48 -7.160 -0.120 -5.473 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.732 -0.624 -6.975 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.456 1.160 -8.356 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -6.193 -0.543 -8.671 1.00 0.00 H new ATOM 0 HG LEU A 48 -8.049 -1.040 -7.028 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -9.678 0.822 -6.604 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -8.092 1.148 -5.866 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -8.552 1.959 -7.382 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -9.882 -0.549 -8.618 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -8.795 0.533 -9.521 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -8.442 -1.209 -9.431 1.00 0.00 H new ATOM 380 N ARG A 49 -4.269 2.053 -7.784 1.00 0.00 N ATOM 381 CA ARG A 49 -3.732 3.412 -7.840 1.00 0.00 C ATOM 382 C ARG A 49 -4.824 4.407 -8.152 1.00 0.00 C ATOM 383 O ARG A 49 -4.576 5.555 -8.550 1.00 0.00 O ATOM 384 CB ARG A 49 -2.615 3.440 -8.922 1.00 0.00 C ATOM 385 CG ARG A 49 -1.796 4.747 -9.071 1.00 0.00 C ATOM 386 CD ARG A 49 -1.543 5.111 -10.542 1.00 0.00 C ATOM 387 NE ARG A 49 -1.256 3.860 -11.289 1.00 0.00 N ATOM 388 CZ ARG A 49 -1.144 3.756 -12.607 1.00 0.00 C ATOM 389 NH1 ARG A 49 -1.275 4.749 -13.435 1.00 0.00 N ATOM 390 NH2 ARG A 49 -0.889 2.592 -13.091 1.00 0.00 N ATOM 0 H ARG A 49 -4.229 1.562 -8.677 1.00 0.00 H new ATOM 0 HA ARG A 49 -3.315 3.694 -6.873 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -1.919 2.629 -8.708 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -3.074 3.219 -9.885 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -2.327 5.564 -8.583 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -0.841 4.636 -8.557 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -2.413 5.614 -10.964 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -0.705 5.803 -10.623 1.00 0.00 H new ATOM 0 HE ARG A 49 -1.135 3.008 -10.742 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -1.478 5.684 -13.082 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -1.175 4.593 -14.438 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -0.781 1.793 -12.467 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -0.795 2.468 -14.099 1.00 0.00 H new ATOM 391 N GLU A 50 -6.215 3.952 -7.923 1.00 0.00 N ATOM 392 CA GLU A 50 -7.378 4.719 -8.351 1.00 0.00 C ATOM 393 C GLU A 50 -7.824 5.737 -7.331 1.00 0.00 C ATOM 394 O GLU A 50 -8.476 6.747 -7.689 1.00 0.00 O ATOM 395 CB GLU A 50 -8.528 3.720 -8.679 1.00 0.00 C ATOM 396 CG GLU A 50 -9.692 3.596 -7.642 1.00 0.00 C ATOM 397 CD GLU A 50 -10.959 4.424 -7.868 1.00 0.00 C ATOM 398 OE1 GLU A 50 -11.727 3.980 -8.901 1.00 0.00 O ATOM 399 OE2 GLU A 50 -11.251 5.394 -7.181 1.00 0.00 O ATOM 0 H GLU A 50 -6.448 3.077 -7.453 1.00 0.00 H new ATOM 0 HA GLU A 50 -7.103 5.293 -9.236 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -8.960 4.007 -9.638 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -8.088 2.732 -8.811 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -9.985 2.547 -7.595 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -9.293 3.860 -6.662 1.00 0.00 H new ATOM 400 N ASN A 51 -7.461 5.533 -5.920 1.00 0.00 N ATOM 401 CA ASN A 51 -7.956 6.433 -4.847 1.00 0.00 C ATOM 402 C ASN A 51 -6.792 6.703 -3.917 1.00 0.00 C ATOM 403 O ASN A 51 -6.887 6.993 -2.719 1.00 0.00 O ATOM 404 CB ASN A 51 -9.109 5.709 -4.111 1.00 0.00 C ATOM 405 CG ASN A 51 -8.847 5.110 -2.723 1.00 0.00 C ATOM 406 OD1 ASN A 51 -9.484 5.439 -1.734 1.00 0.00 O ATOM 407 ND2 ASN A 51 -7.919 4.199 -2.604 1.00 0.00 N ATOM 0 H ASN A 51 -6.859 4.778 -5.591 1.00 0.00 H new ATOM 0 HA ASN A 51 -8.333 7.379 -5.235 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -9.932 6.417 -4.014 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -9.456 4.903 -4.757 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -7.735 3.774 -1.695 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -7.378 3.913 -3.420 1.00 0.00 H new ATOM 408 N VAL A 52 -5.452 6.548 -4.569 1.00 0.00 N ATOM 409 CA VAL A 52 -4.211 6.451 -3.809 1.00 0.00 C ATOM 410 C VAL A 52 -3.506 7.781 -3.770 1.00 0.00 C ATOM 411 O VAL A 52 -3.546 8.534 -4.779 1.00 0.00 O ATOM 412 CB VAL A 52 -3.296 5.317 -4.437 1.00 0.00 C ATOM 413 CG1 VAL A 52 -2.127 5.785 -5.342 1.00 0.00 C ATOM 414 CG2 VAL A 52 -2.658 4.386 -3.377 1.00 0.00 C ATOM 0 H VAL A 52 -5.322 6.501 -5.580 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.436 6.179 -2.778 1.00 0.00 H new ATOM 0 HB VAL A 52 -4.030 4.800 -5.056 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -1.580 4.916 -5.708 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -2.524 6.346 -6.188 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.455 6.422 -4.767 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.046 3.634 -3.875 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -2.035 4.974 -2.704 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -3.444 3.893 -2.805 1.00 0.00 H new ATOM 415 N SER A 53 -2.808 8.211 -2.542 1.00 0.00 N ATOM 416 CA SER A 53 -2.168 9.524 -2.435 1.00 0.00 C ATOM 417 C SER A 53 -0.735 9.409 -1.978 1.00 0.00 C ATOM 418 O SER A 53 -0.429 8.856 -0.913 1.00 0.00 O ATOM 419 CB SER A 53 -2.995 10.473 -1.534 1.00 0.00 C ATOM 420 OG SER A 53 -2.422 11.781 -1.429 1.00 0.00 O ATOM 0 H SER A 53 -2.727 7.635 -1.704 1.00 0.00 H new ATOM 0 HA SER A 53 -2.142 9.965 -3.431 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.006 10.556 -1.933 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.080 10.038 -0.538 1.00 0.00 H new ATOM 0 HG SER A 53 -2.984 12.339 -0.851 1.00 0.00 H new ATOM 421 N PHE A 54 0.288 10.033 -2.850 1.00 0.00 N ATOM 422 CA PHE A 54 1.716 9.838 -2.616 1.00 0.00 C ATOM 423 C PHE A 54 2.356 11.032 -1.947 1.00 0.00 C ATOM 424 O PHE A 54 1.941 12.187 -2.113 1.00 0.00 O ATOM 425 CB PHE A 54 2.446 9.567 -3.966 1.00 0.00 C ATOM 426 CG PHE A 54 1.873 8.447 -4.847 1.00 0.00 C ATOM 427 CD1 PHE A 54 1.234 7.352 -4.252 1.00 0.00 C ATOM 428 CD2 PHE A 54 1.990 8.505 -6.238 1.00 0.00 C ATOM 429 CE1 PHE A 54 0.715 6.329 -5.040 1.00 0.00 C ATOM 430 CE2 PHE A 54 1.473 7.480 -7.026 1.00 0.00 C ATOM 431 CZ PHE A 54 0.837 6.393 -6.427 1.00 0.00 C ATOM 0 H PHE A 54 0.069 10.625 -3.651 1.00 0.00 H new ATOM 0 HA PHE A 54 1.814 8.981 -1.949 1.00 0.00 H new ATOM 0 HB2 PHE A 54 2.444 10.490 -4.545 1.00 0.00 H new ATOM 0 HB3 PHE A 54 3.487 9.330 -3.748 1.00 0.00 H new ATOM 0 HD1 PHE A 54 1.144 7.301 -3.177 1.00 0.00 H new ATOM 0 HD2 PHE A 54 2.482 9.346 -6.703 1.00 0.00 H new ATOM 0 HE1 PHE A 54 0.219 5.488 -4.578 1.00 0.00 H new ATOM 0 HE2 PHE A 54 1.565 7.527 -8.101 1.00 0.00 H new ATOM 0 HZ PHE A 54 0.438 5.598 -7.040 1.00 0.00 H new ATOM 432 N TYR A 55 3.511 10.739 -1.072 1.00 0.00 N ATOM 433 CA TYR A 55 4.281 11.779 -0.380 1.00 0.00 C ATOM 434 C TYR A 55 5.743 11.407 -0.327 1.00 0.00 C ATOM 435 O TYR A 55 6.104 10.227 -0.568 1.00 0.00 O ATOM 436 CB TYR A 55 3.760 11.915 1.081 1.00 0.00 C ATOM 437 CG TYR A 55 2.274 11.569 1.299 1.00 0.00 C ATOM 438 CD1 TYR A 55 1.819 10.286 1.597 1.00 0.00 C ATOM 439 CD2 TYR A 55 1.339 12.620 1.192 1.00 0.00 C ATOM 440 CE1 TYR A 55 0.462 10.045 1.792 1.00 0.00 C ATOM 441 CE2 TYR A 55 -0.016 12.376 1.386 1.00 0.00 C ATOM 442 CZ TYR A 55 -0.453 11.089 1.688 1.00 0.00 C ATOM 443 OH TYR A 55 -1.785 10.851 1.886 1.00 0.00 O ATOM 0 H TYR A 55 3.848 9.793 -0.892 1.00 0.00 H new ATOM 0 HA TYR A 55 4.163 12.717 -0.922 1.00 0.00 H new ATOM 0 HB2 TYR A 55 4.361 11.271 1.722 1.00 0.00 H new ATOM 0 HB3 TYR A 55 3.927 12.940 1.412 1.00 0.00 H new ATOM 0 HD1 TYR A 55 2.525 9.472 1.677 1.00 0.00 H new ATOM 0 HD2 TYR A 55 1.677 13.619 0.958 1.00 0.00 H new ATOM 0 HE1 TYR A 55 0.119 9.048 2.024 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -0.728 13.183 1.303 1.00 0.00 H new ATOM 0 HH TYR A 55 -2.286 11.686 1.778 1.00 0.00 H new ATOM 444 N ALA A 56 6.769 12.434 -0.031 1.00 0.00 N ATOM 445 CA ALA A 56 8.179 12.094 0.186 1.00 0.00 C ATOM 446 C ALA A 56 8.403 11.417 1.516 1.00 0.00 C ATOM 447 O ALA A 56 9.200 10.467 1.630 1.00 0.00 O ATOM 448 CB ALA A 56 9.006 13.378 0.020 1.00 0.00 C ATOM 0 H ALA A 56 6.565 13.431 0.040 1.00 0.00 H new ATOM 0 HA ALA A 56 8.504 11.362 -0.553 1.00 0.00 H new ATOM 0 HB1 ALA A 56 10.061 13.154 0.176 1.00 0.00 H new ATOM 0 HB2 ALA A 56 8.864 13.775 -0.985 1.00 0.00 H new ATOM 0 HB3 ALA A 56 8.680 14.118 0.751 1.00 0.00 H new ATOM 449 N ASN A 57 7.670 11.951 2.684 1.00 0.00 N ATOM 450 CA ASN A 57 7.793 11.349 4.010 1.00 0.00 C ATOM 451 C ASN A 57 6.436 11.126 4.634 1.00 0.00 C ATOM 452 O ASN A 57 5.455 11.816 4.326 1.00 0.00 O ATOM 453 CB ASN A 57 8.681 12.252 4.914 1.00 0.00 C ATOM 454 CG ASN A 57 8.877 11.803 6.366 1.00 0.00 C ATOM 455 OD1 ASN A 57 8.429 12.434 7.312 1.00 0.00 O ATOM 456 ND2 ASN A 57 9.545 10.706 6.599 1.00 0.00 N ATOM 0 H ASN A 57 7.045 12.756 2.644 1.00 0.00 H new ATOM 0 HA ASN A 57 8.269 10.374 3.910 1.00 0.00 H new ATOM 0 HB2 ASN A 57 9.664 12.335 4.449 1.00 0.00 H new ATOM 0 HB3 ASN A 57 8.248 13.252 4.924 1.00 0.00 H new ATOM 0 HD21 ASN A 57 9.686 10.389 7.558 1.00 0.00 H new ATOM 0 HD22 ASN A 57 9.926 10.166 5.822 1.00 0.00 H new ATOM 457 N ALA A 58 6.336 10.012 5.603 1.00 0.00 N ATOM 458 CA ALA A 58 5.087 9.671 6.271 1.00 0.00 C ATOM 459 C ALA A 58 4.647 10.735 7.249 1.00 0.00 C ATOM 460 O ALA A 58 3.501 10.716 7.739 1.00 0.00 O ATOM 461 CB ALA A 58 5.270 8.294 6.938 1.00 0.00 C ATOM 0 H ALA A 58 7.123 9.418 5.863 1.00 0.00 H new ATOM 0 HA ALA A 58 4.281 9.618 5.539 1.00 0.00 H new ATOM 0 HB1 ALA A 58 4.349 8.011 7.447 1.00 0.00 H new ATOM 0 HB2 ALA A 58 5.507 7.550 6.178 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.084 8.345 7.661 1.00 0.00 H new ATOM 462 N SER A 59 5.628 11.772 7.633 1.00 0.00 N ATOM 463 CA SER A 59 5.276 12.865 8.539 1.00 0.00 C ATOM 464 C SER A 59 4.156 13.698 7.960 1.00 0.00 C ATOM 465 O SER A 59 3.362 14.318 8.680 1.00 0.00 O ATOM 466 CB SER A 59 6.514 13.729 8.882 1.00 0.00 C ATOM 467 OG SER A 59 6.169 15.026 9.382 1.00 0.00 O ATOM 0 H SER A 59 6.592 11.795 7.300 1.00 0.00 H new ATOM 0 HA SER A 59 4.918 12.432 9.473 1.00 0.00 H new ATOM 0 HB2 SER A 59 7.119 13.209 9.624 1.00 0.00 H new ATOM 0 HB3 SER A 59 7.130 13.841 7.990 1.00 0.00 H new ATOM 0 HG SER A 59 6.987 15.527 9.583 1.00 0.00 H new ATOM 468 N GLU A 60 4.072 13.736 6.483 1.00 0.00 N ATOM 469 CA GLU A 60 2.968 14.385 5.783 1.00 0.00 C ATOM 470 C GLU A 60 1.680 13.612 5.936 1.00 0.00 C ATOM 471 O GLU A 60 0.692 14.102 6.507 1.00 0.00 O ATOM 472 CB GLU A 60 3.355 14.544 4.285 1.00 0.00 C ATOM 473 CG GLU A 60 2.200 14.445 3.234 1.00 0.00 C ATOM 474 CD GLU A 60 1.693 15.732 2.579 1.00 0.00 C ATOM 475 OE1 GLU A 60 0.882 16.476 3.115 1.00 0.00 O ATOM 476 OE2 GLU A 60 2.227 15.969 1.349 1.00 0.00 O ATOM 0 H GLU A 60 4.769 13.318 5.866 1.00 0.00 H new ATOM 0 HA GLU A 60 2.793 15.367 6.222 1.00 0.00 H new ATOM 0 HB2 GLU A 60 3.841 15.512 4.163 1.00 0.00 H new ATOM 0 HB3 GLU A 60 4.097 13.782 4.045 1.00 0.00 H new ATOM 0 HG2 GLU A 60 2.532 13.778 2.439 1.00 0.00 H new ATOM 0 HG3 GLU A 60 1.351 13.964 3.720 1.00 0.00 H new ATOM 477 N ALA A 61 1.633 12.258 5.337 1.00 0.00 N ATOM 478 CA ALA A 61 0.443 11.420 5.424 1.00 0.00 C ATOM 479 C ALA A 61 -0.071 11.290 6.839 1.00 0.00 C ATOM 480 O ALA A 61 -1.260 10.983 7.059 1.00 0.00 O ATOM 481 CB ALA A 61 0.778 10.063 4.782 1.00 0.00 C ATOM 0 H ALA A 61 2.412 11.831 4.835 1.00 0.00 H new ATOM 0 HA ALA A 61 -0.379 11.886 4.880 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -0.095 9.412 4.832 1.00 0.00 H new ATOM 0 HB2 ALA A 61 1.060 10.213 3.740 1.00 0.00 H new ATOM 0 HB3 ALA A 61 1.606 9.601 5.319 1.00 0.00 H new ATOM 482 N LEU A 62 0.885 11.493 7.947 1.00 0.00 N ATOM 483 CA LEU A 62 0.441 11.557 9.341 1.00 0.00 C ATOM 484 C LEU A 62 -0.187 12.900 9.632 1.00 0.00 C ATOM 485 O LEU A 62 -1.263 12.999 10.238 1.00 0.00 O ATOM 486 CB LEU A 62 1.619 11.260 10.310 1.00 0.00 C ATOM 487 CG LEU A 62 1.292 10.611 11.682 1.00 0.00 C ATOM 488 CD1 LEU A 62 0.076 11.300 12.316 1.00 0.00 C ATOM 489 CD2 LEU A 62 1.035 9.099 11.578 1.00 0.00 C ATOM 0 H LEU A 62 1.891 11.599 7.819 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.316 10.790 9.500 1.00 0.00 H new ATOM 0 HB2 LEU A 62 2.321 10.607 9.791 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.139 12.199 10.501 1.00 0.00 H new ATOM 0 HG LEU A 62 2.170 10.748 12.313 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.144 10.837 13.278 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.293 12.358 12.464 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.786 11.196 11.657 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.812 8.699 12.567 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.190 8.918 10.914 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.921 8.606 11.179 1.00 0.00 H new ATOM 490 N ALA A 63 0.576 14.087 9.192 1.00 0.00 N ATOM 491 CA ALA A 63 0.012 15.435 9.238 1.00 0.00 C ATOM 492 C ALA A 63 -1.346 15.470 8.578 1.00 0.00 C ATOM 493 O ALA A 63 -2.190 16.329 8.865 1.00 0.00 O ATOM 494 CB ALA A 63 1.019 16.393 8.580 1.00 0.00 C ATOM 0 H ALA A 63 1.530 14.045 8.833 1.00 0.00 H new ATOM 0 HA ALA A 63 -0.151 15.752 10.268 1.00 0.00 H new ATOM 0 HB1 ALA A 63 0.622 17.408 8.601 1.00 0.00 H new ATOM 0 HB2 ALA A 63 1.962 16.361 9.126 1.00 0.00 H new ATOM 0 HB3 ALA A 63 1.187 16.090 7.546 1.00 0.00 H new ATOM 495 N ALA A 64 -1.626 14.397 7.597 1.00 0.00 N ATOM 496 CA ALA A 64 -2.951 14.211 7.013 1.00 0.00 C ATOM 497 C ALA A 64 -3.900 13.654 8.057 1.00 0.00 C ATOM 498 O ALA A 64 -5.049 14.087 8.212 1.00 0.00 O ATOM 499 CB ALA A 64 -2.803 13.289 5.793 1.00 0.00 C ATOM 0 H ALA A 64 -0.927 13.730 7.271 1.00 0.00 H new ATOM 0 HA ALA A 64 -3.377 15.158 6.681 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -3.780 13.132 5.335 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -2.132 13.750 5.068 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -2.392 12.330 6.109 1.00 0.00 H new ATOM 500 N GLY A 65 -3.333 12.577 8.904 1.00 0.00 N ATOM 501 CA GLY A 65 -4.073 11.993 10.019 1.00 0.00 C ATOM 502 C GLY A 65 -4.538 10.594 9.651 1.00 0.00 C ATOM 503 O GLY A 65 -5.643 10.152 9.988 1.00 0.00 O ATOM 0 H GLY A 65 -2.404 12.179 8.766 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -3.441 11.955 10.906 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -4.931 12.618 10.265 1.00 0.00 H new ATOM 504 N PHE A 66 -3.589 9.814 8.827 1.00 0.00 N ATOM 505 CA PHE A 66 -3.936 8.528 8.231 1.00 0.00 C ATOM 506 C PHE A 66 -3.273 7.377 8.945 1.00 0.00 C ATOM 507 O PHE A 66 -2.655 7.564 10.019 1.00 0.00 O ATOM 508 CB PHE A 66 -3.511 8.528 6.727 1.00 0.00 C ATOM 509 CG PHE A 66 -4.314 7.592 5.811 1.00 0.00 C ATOM 510 CD1 PHE A 66 -5.564 7.126 6.247 1.00 0.00 C ATOM 511 CD2 PHE A 66 -3.817 7.180 4.574 1.00 0.00 C ATOM 512 CE1 PHE A 66 -6.306 6.262 5.449 1.00 0.00 C ATOM 513 CE2 PHE A 66 -4.562 6.314 3.776 1.00 0.00 C ATOM 514 CZ PHE A 66 -5.802 5.856 4.215 1.00 0.00 C ATOM 0 H PHE A 66 -2.638 10.121 8.623 1.00 0.00 H new ATOM 0 HA PHE A 66 -5.014 8.394 8.322 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -3.597 9.545 6.343 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -2.458 8.252 6.665 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -5.951 7.439 7.205 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -2.854 7.533 4.235 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -7.269 5.907 5.784 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -4.178 5.998 2.817 1.00 0.00 H new ATOM 0 HZ PHE A 66 -6.376 5.183 3.596 1.00 0.00 H new ATOM 515 N ARG A 67 -3.391 6.022 8.363 1.00 0.00 N ATOM 516 CA ARG A 67 -2.926 4.838 9.087 1.00 0.00 C ATOM 517 C ARG A 67 -1.532 4.424 8.680 1.00 0.00 C ATOM 518 O ARG A 67 -1.310 3.796 7.637 1.00 0.00 O ATOM 519 CB ARG A 67 -3.947 3.683 8.914 1.00 0.00 C ATOM 520 CG ARG A 67 -4.200 2.840 10.194 1.00 0.00 C ATOM 521 CD ARG A 67 -2.966 2.039 10.627 1.00 0.00 C ATOM 522 NE ARG A 67 -3.359 0.614 10.770 1.00 0.00 N ATOM 523 CZ ARG A 67 -3.494 -0.037 11.917 1.00 0.00 C ATOM 524 NH1 ARG A 67 -3.296 0.492 13.088 1.00 0.00 N ATOM 525 NH2 ARG A 67 -3.845 -1.273 11.861 1.00 0.00 N ATOM 0 H ARG A 67 -3.792 5.827 7.446 1.00 0.00 H new ATOM 0 HA ARG A 67 -2.862 5.091 10.145 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -4.896 4.103 8.579 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -3.594 3.021 8.123 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -4.502 3.501 11.006 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -5.029 2.155 10.015 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -2.170 2.141 9.890 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -2.577 2.422 11.571 1.00 0.00 H new ATOM 0 HE ARG A 67 -3.540 0.092 9.913 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -3.018 1.470 13.165 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -3.419 -0.071 13.929 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -4.008 -1.716 10.957 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -3.960 -1.810 12.721 1.00 0.00 H new ATOM 526 N PRO A 68 -0.449 4.790 9.618 1.00 0.00 N ATOM 527 CA PRO A 68 1.046 4.514 9.465 1.00 0.00 C ATOM 528 C PRO A 68 1.439 3.055 9.432 1.00 0.00 C ATOM 529 O PRO A 68 1.573 2.402 10.488 1.00 0.00 O ATOM 530 CB PRO A 68 1.755 5.164 10.652 1.00 0.00 C ATOM 531 CG PRO A 68 0.737 6.218 11.114 1.00 0.00 C ATOM 532 CD PRO A 68 -0.613 5.519 10.908 1.00 0.00 C ATOM 0 HA PRO A 68 1.334 4.921 8.496 1.00 0.00 H new ATOM 0 HB2 PRO A 68 1.975 4.441 11.438 1.00 0.00 H new ATOM 0 HB3 PRO A 68 2.703 5.616 10.360 1.00 0.00 H new ATOM 0 HG2 PRO A 68 0.891 6.496 12.157 1.00 0.00 H new ATOM 0 HG3 PRO A 68 0.810 7.133 10.526 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -0.838 4.836 11.727 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -1.431 6.238 10.859 1.00 0.00 H new ATOM 533 N CYS A 69 1.614 2.402 8.112 1.00 0.00 N ATOM 534 CA CYS A 69 2.184 1.071 7.987 1.00 0.00 C ATOM 535 C CYS A 69 3.648 1.085 7.606 1.00 0.00 C ATOM 536 O CYS A 69 4.075 1.525 6.529 1.00 0.00 O ATOM 537 CB CYS A 69 1.352 0.205 7.012 1.00 0.00 C ATOM 538 SG CYS A 69 2.397 -1.085 6.327 1.00 0.00 S ATOM 0 H CYS A 69 1.352 2.833 7.225 1.00 0.00 H new ATOM 0 HA CYS A 69 2.137 0.617 8.977 1.00 0.00 H new ATOM 0 HB2 CYS A 69 0.503 -0.237 7.534 1.00 0.00 H new ATOM 0 HB3 CYS A 69 0.947 0.824 6.212 1.00 0.00 H new ATOM 0 HG CYS A 69 2.618 -0.842 5.069 1.00 0.00 H new ATOM 539 N LYS A 70 4.581 0.550 8.638 1.00 0.00 N ATOM 540 CA LYS A 70 5.994 0.291 8.411 1.00 0.00 C ATOM 541 C LYS A 70 6.307 -1.174 8.666 1.00 0.00 C ATOM 542 O LYS A 70 7.421 -1.567 9.034 1.00 0.00 O ATOM 543 CB LYS A 70 6.857 1.203 9.322 1.00 0.00 C ATOM 544 CG LYS A 70 6.670 2.714 9.037 1.00 0.00 C ATOM 545 CD LYS A 70 6.980 3.635 10.221 1.00 0.00 C ATOM 546 CE LYS A 70 8.470 3.525 10.570 1.00 0.00 C ATOM 547 NZ LYS A 70 8.616 3.222 12.005 1.00 0.00 N ATOM 0 H LYS A 70 4.281 0.328 9.587 1.00 0.00 H new ATOM 0 HA LYS A 70 6.233 0.517 7.372 1.00 0.00 H new ATOM 0 HB2 LYS A 70 6.607 1.004 10.364 1.00 0.00 H new ATOM 0 HB3 LYS A 70 7.908 0.944 9.192 1.00 0.00 H new ATOM 0 HG2 LYS A 70 7.310 2.993 8.200 1.00 0.00 H new ATOM 0 HG3 LYS A 70 5.641 2.885 8.722 1.00 0.00 H new ATOM 0 HD2 LYS A 70 6.728 4.666 9.971 1.00 0.00 H new ATOM 0 HD3 LYS A 70 6.371 3.358 11.082 1.00 0.00 H new ATOM 0 HE2 LYS A 70 8.938 2.743 9.972 1.00 0.00 H new ATOM 0 HE3 LYS A 70 8.981 4.458 10.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 9.626 3.147 12.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 8.183 3.983 12.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 8.142 2.321 12.220 1.00 0.00 H new ATOM 548 N ARG A 71 5.171 -2.106 8.481 1.00 0.00 N ATOM 549 CA ARG A 71 5.229 -3.525 8.824 1.00 0.00 C ATOM 550 C ARG A 71 4.164 -4.296 8.070 1.00 0.00 C ATOM 551 O ARG A 71 3.568 -5.251 8.578 1.00 0.00 O ATOM 552 CB ARG A 71 5.085 -3.691 10.359 1.00 0.00 C ATOM 553 CG ARG A 71 6.385 -4.114 11.097 1.00 0.00 C ATOM 554 CD ARG A 71 6.832 -3.081 12.140 1.00 0.00 C ATOM 555 NE ARG A 71 8.077 -3.574 12.782 1.00 0.00 N ATOM 556 CZ ARG A 71 8.168 -4.635 13.572 1.00 0.00 C ATOM 557 NH1 ARG A 71 7.167 -5.400 13.892 1.00 0.00 N ATOM 558 NH2 ARG A 71 9.327 -4.920 14.051 1.00 0.00 N ATOM 0 H ARG A 71 4.270 -1.815 8.100 1.00 0.00 H new ATOM 0 HA ARG A 71 6.194 -3.936 8.526 1.00 0.00 H new ATOM 0 HB2 ARG A 71 4.736 -2.748 10.780 1.00 0.00 H new ATOM 0 HB3 ARG A 71 4.313 -4.434 10.558 1.00 0.00 H new ATOM 0 HG2 ARG A 71 6.224 -5.074 11.587 1.00 0.00 H new ATOM 0 HG3 ARG A 71 7.182 -4.258 10.368 1.00 0.00 H new ATOM 0 HD2 ARG A 71 7.006 -2.115 11.667 1.00 0.00 H new ATOM 0 HD3 ARG A 71 6.052 -2.934 12.887 1.00 0.00 H new ATOM 0 HE ARG A 71 8.934 -3.052 12.600 1.00 0.00 H new ATOM 0 HH11 ARG A 71 6.235 -5.199 13.529 1.00 0.00 H new ATOM 0 HH12 ARG A 71 7.313 -6.201 14.506 1.00 0.00 H new ATOM 0 HH21 ARG A 71 10.132 -4.338 13.819 1.00 0.00 H new ATOM 0 HH22 ARG A 71 9.441 -5.728 14.663 1.00 0.00 H new ATOM 559 N CYS A 72 3.956 -3.911 6.652 1.00 0.00 N ATOM 560 CA CYS A 72 2.877 -4.350 5.744 1.00 0.00 C ATOM 561 C CYS A 72 1.883 -5.163 6.535 1.00 0.00 C ATOM 562 O CYS A 72 1.430 -6.292 6.345 1.00 0.00 O ATOM 563 CB CYS A 72 3.547 -4.850 4.456 1.00 0.00 C ATOM 564 SG CYS A 72 4.260 -3.340 3.637 1.00 0.00 S ATOM 0 H CYS A 72 4.598 -3.270 6.186 1.00 0.00 H new ATOM 0 HA CYS A 72 2.201 -3.594 5.344 1.00 0.00 H new ATOM 0 HB2 CYS A 72 4.326 -5.579 4.678 1.00 0.00 H new ATOM 0 HB3 CYS A 72 2.825 -5.343 3.806 1.00 0.00 H new ATOM 0 HG CYS A 72 3.295 -2.558 3.254 1.00 0.00 H new