USER MOD reduce.3.24.130724 H: found=0, std=0, add=699, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 702 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 88 ASN : amide:sc= -1.21! C(o=-1.3!,f=-7.1!) USER MOD Set 1.2: A 89 SER OG : rot 180:sc= -0.0892 USER MOD Single : A 18 GLN : amide:sc=-0.00567 X(o=-0.0057,f=0) USER MOD Single : A 23 TYR OH : rot -140:sc= -0.421 USER MOD Single : A 28 SER OG : rot 168:sc= 0.695 USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 130:sc= -1.96 USER MOD Single : A 43 THR OG1 : rot 140:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 17:sc= 0.107 USER MOD Single : A 60 THR OG1 : rot -63:sc= -1.62! USER MOD Single : A 63 LYS NZ :NH3+ 162:sc=-0.00284 (180deg=-0.125) USER MOD Single : A 66 ASN :FLIP amide:sc= -1.74! C(o=-6.3!,f=-1.7!) USER MOD Single : A 67 ASN : amide:sc= -0.977 K(o=-0.98,f=-8!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ -141:sc= -0.59 (180deg=-1.9!) USER MOD Single : A 74 HIS :FLIP no HE2:sc= -2.18! C(o=-3.3!,f=-2.2!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 TYR OH : rot -113:sc= 0.864 USER MOD Single : A 82 SER OG : rot 150:sc= -0.69! USER MOD Single : A 86 THR OG1 : rot 13:sc= 0.181! USER MOD Single : A 95 ASN : amide:sc= -0.253 X(o=-0.25,f=0) USER MOD Single : A 96 HIS : no HD1:sc= 0 X(o=0,f=-0.005) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= -0.144 K(o=-0.14,f=-0.88) USER MOD Single : A 101 SER OG : rot -26:sc= -0.688! USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 140:sc= 0.28 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 17 1.078 -9.413 -14.893 1.00 0.00 N ATOM 2 CA LEU A 17 2.046 -8.738 -13.996 1.00 0.00 C ATOM 3 C LEU A 17 3.423 -9.347 -14.189 1.00 0.00 C ATOM 4 O LEU A 17 3.953 -10.008 -13.318 1.00 0.00 O ATOM 5 CB LEU A 17 1.604 -8.923 -12.520 1.00 0.00 C ATOM 6 CG LEU A 17 2.208 -7.806 -11.615 1.00 0.00 C ATOM 7 CD1 LEU A 17 1.155 -7.354 -10.596 1.00 0.00 C ATOM 8 CD2 LEU A 17 3.425 -8.345 -10.852 1.00 0.00 C ATOM 0 HA LEU A 17 2.079 -7.675 -14.234 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.516 -8.900 -12.456 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.924 -9.901 -12.160 1.00 0.00 H new ATOM 0 HG LEU A 17 2.512 -6.970 -12.244 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.574 -6.573 -9.962 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.283 -6.965 -11.122 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.858 -8.202 -9.979 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.839 -7.557 -10.223 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.120 -9.185 -10.227 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.182 -8.677 -11.562 1.00 0.00 H new ATOM 22 N GLN A 18 3.970 -9.127 -15.341 1.00 0.00 N ATOM 23 CA GLN A 18 5.309 -9.675 -15.624 1.00 0.00 C ATOM 24 C GLN A 18 6.336 -8.904 -14.831 1.00 0.00 C ATOM 25 O GLN A 18 7.367 -9.424 -14.450 1.00 0.00 O ATOM 26 CB GLN A 18 5.604 -9.500 -17.125 1.00 0.00 C ATOM 27 CG GLN A 18 4.518 -10.204 -17.948 1.00 0.00 C ATOM 28 CD GLN A 18 4.809 -11.703 -17.985 1.00 0.00 C ATOM 29 OE1 GLN A 18 4.097 -12.501 -17.406 1.00 0.00 O ATOM 30 NE2 GLN A 18 5.845 -12.128 -18.654 1.00 0.00 N ATOM 0 H GLN A 18 3.546 -8.591 -16.098 1.00 0.00 H new ATOM 0 HA GLN A 18 5.347 -10.730 -15.351 1.00 0.00 H new ATOM 0 HB2 GLN A 18 5.637 -8.440 -17.378 1.00 0.00 H new ATOM 0 HB3 GLN A 18 6.583 -9.916 -17.364 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.537 -10.023 -17.509 1.00 0.00 H new ATOM 0 HG3 GLN A 18 4.493 -9.801 -18.960 1.00 0.00 H new ATOM 0 HE21 GLN A 18 6.445 -11.463 -19.141 1.00 0.00 H new ATOM 0 HE22 GLN A 18 6.055 -13.126 -18.690 1.00 0.00 H new ATOM 39 N ASP A 19 6.023 -7.671 -14.597 1.00 0.00 N ATOM 40 CA ASP A 19 6.934 -6.811 -13.835 1.00 0.00 C ATOM 41 C ASP A 19 6.209 -5.557 -13.375 1.00 0.00 C ATOM 42 O ASP A 19 6.610 -4.914 -12.427 1.00 0.00 O ATOM 43 CB ASP A 19 8.071 -6.410 -14.756 1.00 0.00 C ATOM 44 CG ASP A 19 9.407 -6.820 -14.128 1.00 0.00 C ATOM 45 OD1 ASP A 19 9.531 -8.001 -13.845 1.00 0.00 O ATOM 46 OD2 ASP A 19 10.226 -5.931 -13.968 1.00 0.00 O ATOM 0 H ASP A 19 5.162 -7.221 -14.908 1.00 0.00 H new ATOM 0 HA ASP A 19 7.304 -7.345 -12.960 1.00 0.00 H new ATOM 0 HB2 ASP A 19 7.952 -6.889 -15.728 1.00 0.00 H new ATOM 0 HB3 ASP A 19 8.052 -5.334 -14.927 1.00 0.00 H new ATOM 51 N ALA A 20 5.137 -5.249 -14.056 1.00 0.00 N ATOM 52 CA ALA A 20 4.338 -4.035 -13.698 1.00 0.00 C ATOM 53 C ALA A 20 5.218 -2.773 -13.688 1.00 0.00 C ATOM 54 O ALA A 20 6.418 -2.853 -13.508 1.00 0.00 O ATOM 55 CB ALA A 20 3.736 -4.232 -12.292 1.00 0.00 C ATOM 0 H ALA A 20 4.778 -5.785 -14.846 1.00 0.00 H new ATOM 0 HA ALA A 20 3.553 -3.905 -14.443 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.151 -3.353 -12.020 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.091 -5.111 -12.292 1.00 0.00 H new ATOM 0 HB3 ALA A 20 4.539 -4.371 -11.569 1.00 0.00 H new ATOM 61 N GLU A 21 4.604 -1.630 -13.894 1.00 0.00 N ATOM 62 CA GLU A 21 5.396 -0.366 -13.896 1.00 0.00 C ATOM 63 C GLU A 21 5.363 0.295 -12.522 1.00 0.00 C ATOM 64 O GLU A 21 6.379 0.428 -11.869 1.00 0.00 O ATOM 65 CB GLU A 21 4.784 0.612 -14.924 1.00 0.00 C ATOM 66 CG GLU A 21 3.378 0.144 -15.312 1.00 0.00 C ATOM 67 CD GLU A 21 2.740 1.188 -16.238 1.00 0.00 C ATOM 68 OE1 GLU A 21 2.471 2.267 -15.736 1.00 0.00 O ATOM 69 OE2 GLU A 21 2.560 0.846 -17.397 1.00 0.00 O ATOM 0 H GLU A 21 3.603 -1.522 -14.058 1.00 0.00 H new ATOM 0 HA GLU A 21 6.428 -0.604 -14.154 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.740 1.616 -14.503 1.00 0.00 H new ATOM 0 HB3 GLU A 21 5.417 0.666 -15.810 1.00 0.00 H new ATOM 0 HG2 GLU A 21 3.428 -0.823 -15.813 1.00 0.00 H new ATOM 0 HG3 GLU A 21 2.767 0.009 -14.420 1.00 0.00 H new ATOM 76 N TRP A 22 4.188 0.689 -12.111 1.00 0.00 N ATOM 77 CA TRP A 22 4.048 1.350 -10.778 1.00 0.00 C ATOM 78 C TRP A 22 4.897 0.653 -9.740 1.00 0.00 C ATOM 79 O TRP A 22 5.462 1.280 -8.864 1.00 0.00 O ATOM 80 CB TRP A 22 2.587 1.264 -10.350 1.00 0.00 C ATOM 81 CG TRP A 22 1.745 0.790 -11.547 1.00 0.00 C ATOM 82 CD1 TRP A 22 1.327 1.592 -12.508 1.00 0.00 C ATOM 83 CD2 TRP A 22 1.386 -0.455 -11.781 1.00 0.00 C ATOM 84 NE1 TRP A 22 0.690 0.775 -13.358 1.00 0.00 N ATOM 85 CE2 TRP A 22 0.681 -0.544 -12.970 1.00 0.00 C ATOM 86 CE3 TRP A 22 1.599 -1.604 -11.037 1.00 0.00 C ATOM 87 CZ2 TRP A 22 0.200 -1.755 -13.401 1.00 0.00 C ATOM 88 CZ3 TRP A 22 1.111 -2.808 -11.473 1.00 0.00 C ATOM 89 CH2 TRP A 22 0.416 -2.884 -12.652 1.00 0.00 C ATOM 0 H TRP A 22 3.321 0.583 -12.637 1.00 0.00 H new ATOM 0 HA TRP A 22 4.375 2.387 -10.860 1.00 0.00 H new ATOM 0 HB2 TRP A 22 2.479 0.572 -9.515 1.00 0.00 H new ATOM 0 HB3 TRP A 22 2.237 2.237 -10.005 1.00 0.00 H new ATOM 0 HD1 TRP A 22 1.466 2.660 -12.590 1.00 0.00 H new ATOM 0 HE1 TRP A 22 0.250 1.103 -14.218 1.00 0.00 H new ATOM 0 HE3 TRP A 22 2.151 -1.551 -10.110 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -0.348 -1.819 -14.329 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 1.274 -3.700 -10.886 1.00 0.00 H new ATOM 0 HH2 TRP A 22 0.037 -3.836 -12.993 1.00 0.00 H new ATOM 100 N TYR A 23 4.965 -0.629 -9.857 1.00 0.00 N ATOM 101 CA TYR A 23 5.771 -1.418 -8.897 1.00 0.00 C ATOM 102 C TYR A 23 7.197 -1.539 -9.409 1.00 0.00 C ATOM 103 O TYR A 23 7.419 -1.867 -10.557 1.00 0.00 O ATOM 104 CB TYR A 23 5.142 -2.826 -8.789 1.00 0.00 C ATOM 105 CG TYR A 23 3.693 -2.774 -8.203 1.00 0.00 C ATOM 106 CD1 TYR A 23 3.086 -1.581 -7.763 1.00 0.00 C ATOM 107 CD2 TYR A 23 2.966 -3.945 -8.113 1.00 0.00 C ATOM 108 CE1 TYR A 23 1.803 -1.598 -7.257 1.00 0.00 C ATOM 109 CE2 TYR A 23 1.684 -3.947 -7.605 1.00 0.00 C ATOM 110 CZ TYR A 23 1.094 -2.777 -7.175 1.00 0.00 C ATOM 111 OH TYR A 23 -0.190 -2.786 -6.670 1.00 0.00 O ATOM 0 H TYR A 23 4.495 -1.173 -10.580 1.00 0.00 H new ATOM 0 HA TYR A 23 5.785 -0.930 -7.922 1.00 0.00 H new ATOM 0 HB2 TYR A 23 5.118 -3.290 -9.775 1.00 0.00 H new ATOM 0 HB3 TYR A 23 5.767 -3.455 -8.156 1.00 0.00 H new ATOM 0 HD1 TYR A 23 3.628 -0.649 -7.822 1.00 0.00 H new ATOM 0 HD2 TYR A 23 3.408 -4.873 -8.445 1.00 0.00 H new ATOM 0 HE1 TYR A 23 1.349 -0.677 -6.921 1.00 0.00 H new ATOM 0 HE2 TYR A 23 1.136 -4.875 -7.543 1.00 0.00 H new ATOM 0 HH TYR A 23 -0.315 -3.579 -6.109 1.00 0.00 H new ATOM 121 N TRP A 24 8.143 -1.274 -8.550 1.00 0.00 N ATOM 122 CA TRP A 24 9.554 -1.369 -8.983 1.00 0.00 C ATOM 123 C TRP A 24 10.073 -2.772 -8.770 1.00 0.00 C ATOM 124 O TRP A 24 10.959 -3.228 -9.463 1.00 0.00 O ATOM 125 CB TRP A 24 10.422 -0.427 -8.117 1.00 0.00 C ATOM 126 CG TRP A 24 9.970 1.052 -8.222 1.00 0.00 C ATOM 127 CD1 TRP A 24 8.783 1.479 -8.665 1.00 0.00 C ATOM 128 CD2 TRP A 24 10.702 2.061 -7.817 1.00 0.00 C ATOM 129 NE1 TRP A 24 8.844 2.810 -8.491 1.00 0.00 N ATOM 130 CE2 TRP A 24 10.034 3.259 -7.961 1.00 0.00 C ATOM 131 CE3 TRP A 24 11.987 2.051 -7.306 1.00 0.00 C ATOM 132 CZ2 TRP A 24 10.640 4.438 -7.600 1.00 0.00 C ATOM 133 CZ3 TRP A 24 12.595 3.234 -6.944 1.00 0.00 C ATOM 134 CH2 TRP A 24 11.922 4.428 -7.090 1.00 0.00 C ATOM 0 H TRP A 24 7.997 -0.999 -7.579 1.00 0.00 H new ATOM 0 HA TRP A 24 9.606 -1.098 -10.038 1.00 0.00 H new ATOM 0 HB2 TRP A 24 10.373 -0.746 -7.076 1.00 0.00 H new ATOM 0 HB3 TRP A 24 11.464 -0.509 -8.427 1.00 0.00 H new ATOM 0 HD1 TRP A 24 7.969 0.894 -9.067 1.00 0.00 H new ATOM 0 HE1 TRP A 24 8.075 3.435 -8.731 1.00 0.00 H new ATOM 0 HE3 TRP A 24 12.515 1.116 -7.190 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 10.112 5.373 -7.716 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 13.599 3.225 -6.546 1.00 0.00 H new ATOM 0 HH2 TRP A 24 12.398 5.355 -6.805 1.00 0.00 H new ATOM 145 N GLY A 25 9.498 -3.425 -7.809 1.00 0.00 N ATOM 146 CA GLY A 25 9.914 -4.815 -7.490 1.00 0.00 C ATOM 147 C GLY A 25 10.276 -4.890 -6.016 1.00 0.00 C ATOM 148 O GLY A 25 11.195 -5.579 -5.625 1.00 0.00 O ATOM 0 H GLY A 25 8.750 -3.054 -7.223 1.00 0.00 H new ATOM 0 HA2 GLY A 25 9.107 -5.512 -7.717 1.00 0.00 H new ATOM 0 HA3 GLY A 25 10.767 -5.104 -8.104 1.00 0.00 H new ATOM 152 N ASP A 26 9.531 -4.169 -5.231 1.00 0.00 N ATOM 153 CA ASP A 26 9.782 -4.152 -3.766 1.00 0.00 C ATOM 154 C ASP A 26 11.090 -3.435 -3.450 1.00 0.00 C ATOM 155 O ASP A 26 12.122 -3.746 -4.014 1.00 0.00 O ATOM 156 CB ASP A 26 9.867 -5.609 -3.255 1.00 0.00 C ATOM 157 CG ASP A 26 11.320 -5.951 -2.904 1.00 0.00 C ATOM 158 OD1 ASP A 26 11.770 -5.435 -1.896 1.00 0.00 O ATOM 159 OD2 ASP A 26 11.896 -6.709 -3.666 1.00 0.00 O ATOM 0 H ASP A 26 8.754 -3.587 -5.543 1.00 0.00 H new ATOM 0 HA ASP A 26 8.966 -3.622 -3.275 1.00 0.00 H new ATOM 0 HB2 ASP A 26 9.232 -5.734 -2.378 1.00 0.00 H new ATOM 0 HB3 ASP A 26 9.496 -6.294 -4.018 1.00 0.00 H new ATOM 164 N ILE A 27 11.020 -2.467 -2.567 1.00 0.00 N ATOM 165 CA ILE A 27 12.263 -1.722 -2.203 1.00 0.00 C ATOM 166 C ILE A 27 12.289 -1.420 -0.701 1.00 0.00 C ATOM 167 O ILE A 27 12.278 -2.323 0.113 1.00 0.00 O ATOM 168 CB ILE A 27 12.324 -0.394 -2.987 1.00 0.00 C ATOM 169 CG1 ILE A 27 11.001 0.403 -2.824 1.00 0.00 C ATOM 170 CG2 ILE A 27 12.610 -0.702 -4.478 1.00 0.00 C ATOM 171 CD1 ILE A 27 9.986 0.097 -3.932 1.00 0.00 C ATOM 0 H ILE A 27 10.170 -2.166 -2.090 1.00 0.00 H new ATOM 0 HA ILE A 27 13.123 -2.342 -2.457 1.00 0.00 H new ATOM 0 HB ILE A 27 13.127 0.227 -2.590 1.00 0.00 H new ATOM 0 HG12 ILE A 27 10.558 0.169 -1.856 1.00 0.00 H new ATOM 0 HG13 ILE A 27 11.222 1.470 -2.824 1.00 0.00 H new ATOM 0 HG21 ILE A 27 12.655 0.231 -5.040 1.00 0.00 H new ATOM 0 HG22 ILE A 27 13.563 -1.225 -4.565 1.00 0.00 H new ATOM 0 HG23 ILE A 27 11.814 -1.329 -4.879 1.00 0.00 H new ATOM 0 HD11 ILE A 27 9.081 0.682 -3.768 1.00 0.00 H new ATOM 0 HD12 ILE A 27 10.415 0.356 -4.900 1.00 0.00 H new ATOM 0 HD13 ILE A 27 9.740 -0.965 -3.917 1.00 0.00 H new ATOM 183 N SER A 28 12.324 -0.159 -0.357 1.00 0.00 N ATOM 184 CA SER A 28 12.350 0.204 1.075 1.00 0.00 C ATOM 185 C SER A 28 12.028 1.684 1.262 1.00 0.00 C ATOM 186 O SER A 28 12.160 2.470 0.344 1.00 0.00 O ATOM 187 CB SER A 28 13.753 -0.079 1.618 1.00 0.00 C ATOM 188 OG SER A 28 14.614 0.314 0.564 1.00 0.00 O ATOM 0 H SER A 28 12.335 0.626 -1.008 1.00 0.00 H new ATOM 0 HA SER A 28 11.602 -0.382 1.610 1.00 0.00 H new ATOM 0 HB2 SER A 28 13.951 0.488 2.528 1.00 0.00 H new ATOM 0 HB3 SER A 28 13.880 -1.133 1.865 1.00 0.00 H new ATOM 0 HG SER A 28 15.537 0.352 0.892 1.00 0.00 H new ATOM 194 N ARG A 29 11.599 2.035 2.450 1.00 0.00 N ATOM 195 CA ARG A 29 11.259 3.461 2.728 1.00 0.00 C ATOM 196 C ARG A 29 12.252 4.398 2.085 1.00 0.00 C ATOM 197 O ARG A 29 11.886 5.333 1.401 1.00 0.00 O ATOM 198 CB ARG A 29 11.301 3.678 4.233 1.00 0.00 C ATOM 199 CG ARG A 29 10.257 2.787 4.895 1.00 0.00 C ATOM 200 CD ARG A 29 10.556 2.709 6.387 1.00 0.00 C ATOM 201 NE ARG A 29 9.283 2.481 7.132 1.00 0.00 N ATOM 202 CZ ARG A 29 9.308 2.396 8.437 1.00 0.00 C ATOM 203 NH1 ARG A 29 10.103 1.526 9.000 1.00 0.00 N ATOM 204 NH2 ARG A 29 8.532 3.181 9.135 1.00 0.00 N ATOM 0 H ARG A 29 11.471 1.397 3.235 1.00 0.00 H new ATOM 0 HA ARG A 29 10.270 3.669 2.320 1.00 0.00 H new ATOM 0 HB2 ARG A 29 12.293 3.445 4.619 1.00 0.00 H new ATOM 0 HB3 ARG A 29 11.105 4.724 4.468 1.00 0.00 H new ATOM 0 HG2 ARG A 29 9.258 3.190 4.731 1.00 0.00 H new ATOM 0 HG3 ARG A 29 10.276 1.791 4.453 1.00 0.00 H new ATOM 0 HD2 ARG A 29 11.258 1.900 6.587 1.00 0.00 H new ATOM 0 HD3 ARG A 29 11.028 3.632 6.724 1.00 0.00 H new ATOM 0 HE ARG A 29 8.401 2.392 6.628 1.00 0.00 H new ATOM 0 HH11 ARG A 29 10.692 0.926 8.423 1.00 0.00 H new ATOM 0 HH12 ARG A 29 10.135 1.447 10.016 1.00 0.00 H new ATOM 0 HH21 ARG A 29 7.920 3.846 8.661 1.00 0.00 H new ATOM 0 HH22 ARG A 29 8.538 3.129 10.154 1.00 0.00 H new ATOM 218 N GLU A 30 13.487 4.131 2.317 1.00 0.00 N ATOM 219 CA GLU A 30 14.540 4.991 1.733 1.00 0.00 C ATOM 220 C GLU A 30 14.252 5.312 0.272 1.00 0.00 C ATOM 221 O GLU A 30 14.262 6.458 -0.115 1.00 0.00 O ATOM 222 CB GLU A 30 15.899 4.272 1.823 1.00 0.00 C ATOM 223 CG GLU A 30 15.675 2.828 2.224 1.00 0.00 C ATOM 224 CD GLU A 30 16.970 2.034 2.025 1.00 0.00 C ATOM 225 OE1 GLU A 30 17.966 2.475 2.576 1.00 0.00 O ATOM 226 OE2 GLU A 30 16.889 1.032 1.333 1.00 0.00 O ATOM 0 H GLU A 30 13.822 3.354 2.887 1.00 0.00 H new ATOM 0 HA GLU A 30 14.560 5.924 2.297 1.00 0.00 H new ATOM 0 HB2 GLU A 30 16.413 4.319 0.863 1.00 0.00 H new ATOM 0 HB3 GLU A 30 16.539 4.769 2.552 1.00 0.00 H new ATOM 0 HG2 GLU A 30 15.360 2.774 3.266 1.00 0.00 H new ATOM 0 HG3 GLU A 30 14.874 2.394 1.626 1.00 0.00 H new ATOM 233 N GLU A 31 13.986 4.299 -0.518 1.00 0.00 N ATOM 234 CA GLU A 31 13.700 4.558 -1.949 1.00 0.00 C ATOM 235 C GLU A 31 12.306 5.132 -2.119 1.00 0.00 C ATOM 236 O GLU A 31 12.139 6.196 -2.683 1.00 0.00 O ATOM 237 CB GLU A 31 13.793 3.228 -2.705 1.00 0.00 C ATOM 238 CG GLU A 31 15.244 2.728 -2.698 1.00 0.00 C ATOM 239 CD GLU A 31 15.537 2.004 -4.015 1.00 0.00 C ATOM 240 OE1 GLU A 31 14.985 0.929 -4.175 1.00 0.00 O ATOM 241 OE2 GLU A 31 16.301 2.565 -4.783 1.00 0.00 O ATOM 0 H GLU A 31 13.957 3.320 -0.232 1.00 0.00 H new ATOM 0 HA GLU A 31 14.420 5.277 -2.339 1.00 0.00 H new ATOM 0 HB2 GLU A 31 13.141 2.488 -2.240 1.00 0.00 H new ATOM 0 HB3 GLU A 31 13.448 3.357 -3.731 1.00 0.00 H new ATOM 0 HG2 GLU A 31 15.929 3.566 -2.571 1.00 0.00 H new ATOM 0 HG3 GLU A 31 15.404 2.055 -1.856 1.00 0.00 H new ATOM 248 N VAL A 32 11.324 4.416 -1.637 1.00 0.00 N ATOM 249 CA VAL A 32 9.933 4.915 -1.767 1.00 0.00 C ATOM 250 C VAL A 32 9.878 6.397 -1.431 1.00 0.00 C ATOM 251 O VAL A 32 9.609 7.228 -2.272 1.00 0.00 O ATOM 252 CB VAL A 32 9.049 4.175 -0.751 1.00 0.00 C ATOM 253 CG1 VAL A 32 7.720 4.923 -0.607 1.00 0.00 C ATOM 254 CG2 VAL A 32 8.788 2.755 -1.243 1.00 0.00 C ATOM 0 H VAL A 32 11.427 3.518 -1.165 1.00 0.00 H new ATOM 0 HA VAL A 32 9.589 4.750 -2.788 1.00 0.00 H new ATOM 0 HB VAL A 32 9.552 4.133 0.215 1.00 0.00 H new ATOM 0 HG11 VAL A 32 7.087 4.404 0.112 1.00 0.00 H new ATOM 0 HG12 VAL A 32 7.910 5.938 -0.258 1.00 0.00 H new ATOM 0 HG13 VAL A 32 7.217 4.960 -1.573 1.00 0.00 H new ATOM 0 HG21 VAL A 32 8.161 2.230 -0.523 1.00 0.00 H new ATOM 0 HG22 VAL A 32 8.281 2.791 -2.207 1.00 0.00 H new ATOM 0 HG23 VAL A 32 9.736 2.228 -1.352 1.00 0.00 H new ATOM 264 N ASN A 33 10.146 6.686 -0.191 1.00 0.00 N ATOM 265 CA ASN A 33 10.127 8.095 0.273 1.00 0.00 C ATOM 266 C ASN A 33 10.967 9.024 -0.623 1.00 0.00 C ATOM 267 O ASN A 33 10.433 9.879 -1.307 1.00 0.00 O ATOM 268 CB ASN A 33 10.721 8.118 1.691 1.00 0.00 C ATOM 269 CG ASN A 33 10.276 9.389 2.409 1.00 0.00 C ATOM 270 OD1 ASN A 33 10.944 10.401 2.371 1.00 0.00 O ATOM 271 ND2 ASN A 33 9.156 9.379 3.076 1.00 0.00 N ATOM 0 H ASN A 33 10.379 5.999 0.526 1.00 0.00 H new ATOM 0 HA ASN A 33 9.099 8.456 0.243 1.00 0.00 H new ATOM 0 HB2 ASN A 33 10.394 7.240 2.248 1.00 0.00 H new ATOM 0 HB3 ASN A 33 11.809 8.078 1.642 1.00 0.00 H new ATOM 0 HD21 ASN A 33 8.845 10.220 3.563 1.00 0.00 H new ATOM 0 HD22 ASN A 33 8.591 8.531 3.111 1.00 0.00 H new ATOM 278 N GLU A 34 12.267 8.834 -0.592 1.00 0.00 N ATOM 279 CA GLU A 34 13.180 9.687 -1.423 1.00 0.00 C ATOM 280 C GLU A 34 12.575 10.082 -2.758 1.00 0.00 C ATOM 281 O GLU A 34 12.842 11.158 -3.258 1.00 0.00 O ATOM 282 CB GLU A 34 14.476 8.907 -1.688 1.00 0.00 C ATOM 283 CG GLU A 34 15.344 8.927 -0.425 1.00 0.00 C ATOM 284 CD GLU A 34 16.459 7.887 -0.558 1.00 0.00 C ATOM 285 OE1 GLU A 34 17.071 7.881 -1.615 1.00 0.00 O ATOM 286 OE2 GLU A 34 16.636 7.156 0.403 1.00 0.00 O ATOM 0 H GLU A 34 12.735 8.125 -0.027 1.00 0.00 H new ATOM 0 HA GLU A 34 13.363 10.604 -0.863 1.00 0.00 H new ATOM 0 HB2 GLU A 34 14.245 7.879 -1.969 1.00 0.00 H new ATOM 0 HB3 GLU A 34 15.018 9.351 -2.523 1.00 0.00 H new ATOM 0 HG2 GLU A 34 15.772 9.919 -0.280 1.00 0.00 H new ATOM 0 HG3 GLU A 34 14.734 8.712 0.452 1.00 0.00 H new ATOM 293 N LYS A 35 11.780 9.227 -3.317 1.00 0.00 N ATOM 294 CA LYS A 35 11.170 9.577 -4.622 1.00 0.00 C ATOM 295 C LYS A 35 9.853 10.278 -4.431 1.00 0.00 C ATOM 296 O LYS A 35 9.537 11.223 -5.128 1.00 0.00 O ATOM 297 CB LYS A 35 10.927 8.307 -5.416 1.00 0.00 C ATOM 298 CG LYS A 35 11.447 8.517 -6.840 1.00 0.00 C ATOM 299 CD LYS A 35 10.714 9.711 -7.484 1.00 0.00 C ATOM 300 CE LYS A 35 10.524 9.447 -8.980 1.00 0.00 C ATOM 301 NZ LYS A 35 10.402 10.735 -9.720 1.00 0.00 N ATOM 0 H LYS A 35 11.527 8.315 -2.937 1.00 0.00 H new ATOM 0 HA LYS A 35 11.853 10.241 -5.152 1.00 0.00 H new ATOM 0 HB2 LYS A 35 11.436 7.464 -4.948 1.00 0.00 H new ATOM 0 HB3 LYS A 35 9.864 8.068 -5.433 1.00 0.00 H new ATOM 0 HG2 LYS A 35 12.521 8.702 -6.823 1.00 0.00 H new ATOM 0 HG3 LYS A 35 11.288 7.616 -7.433 1.00 0.00 H new ATOM 0 HD2 LYS A 35 9.747 9.859 -7.004 1.00 0.00 H new ATOM 0 HD3 LYS A 35 11.287 10.626 -7.335 1.00 0.00 H new ATOM 0 HE2 LYS A 35 11.369 8.876 -9.366 1.00 0.00 H new ATOM 0 HE3 LYS A 35 9.631 8.842 -9.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 10.274 10.542 -10.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 9.582 11.265 -9.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 11.265 11.298 -9.581 1.00 0.00 H new ATOM 315 N LEU A 36 9.110 9.811 -3.492 1.00 0.00 N ATOM 316 CA LEU A 36 7.804 10.435 -3.234 1.00 0.00 C ATOM 317 C LEU A 36 7.968 11.749 -2.472 1.00 0.00 C ATOM 318 O LEU A 36 7.004 12.331 -2.018 1.00 0.00 O ATOM 319 CB LEU A 36 6.962 9.465 -2.398 1.00 0.00 C ATOM 320 CG LEU A 36 6.075 8.640 -3.343 1.00 0.00 C ATOM 321 CD1 LEU A 36 6.955 7.821 -4.284 1.00 0.00 C ATOM 322 CD2 LEU A 36 5.196 7.688 -2.519 1.00 0.00 C ATOM 0 H LEU A 36 9.349 9.023 -2.890 1.00 0.00 H new ATOM 0 HA LEU A 36 7.316 10.651 -4.184 1.00 0.00 H new ATOM 0 HB2 LEU A 36 7.609 8.807 -1.817 1.00 0.00 H new ATOM 0 HB3 LEU A 36 6.346 10.016 -1.687 1.00 0.00 H new ATOM 0 HG LEU A 36 5.444 9.312 -3.924 1.00 0.00 H new ATOM 0 HD11 LEU A 36 6.325 7.236 -4.954 1.00 0.00 H new ATOM 0 HD12 LEU A 36 7.584 8.491 -4.870 1.00 0.00 H new ATOM 0 HD13 LEU A 36 7.585 7.150 -3.701 1.00 0.00 H new ATOM 0 HD21 LEU A 36 4.566 7.102 -3.189 1.00 0.00 H new ATOM 0 HD22 LEU A 36 5.830 7.018 -1.939 1.00 0.00 H new ATOM 0 HD23 LEU A 36 4.566 8.267 -1.843 1.00 0.00 H new ATOM 334 N ARG A 37 9.194 12.190 -2.348 1.00 0.00 N ATOM 335 CA ARG A 37 9.450 13.450 -1.630 1.00 0.00 C ATOM 336 C ARG A 37 8.625 14.593 -2.201 1.00 0.00 C ATOM 337 O ARG A 37 7.508 14.832 -1.790 1.00 0.00 O ATOM 338 CB ARG A 37 10.938 13.776 -1.803 1.00 0.00 C ATOM 339 CG ARG A 37 11.713 13.187 -0.648 1.00 0.00 C ATOM 340 CD ARG A 37 11.717 14.207 0.484 1.00 0.00 C ATOM 341 NE ARG A 37 12.834 15.172 0.275 1.00 0.00 N ATOM 342 CZ ARG A 37 12.634 16.440 0.525 1.00 0.00 C ATOM 343 NH1 ARG A 37 12.699 16.856 1.759 1.00 0.00 N ATOM 344 NH2 ARG A 37 12.373 17.246 -0.468 1.00 0.00 N ATOM 0 H ARG A 37 10.022 11.723 -2.717 1.00 0.00 H new ATOM 0 HA ARG A 37 9.177 13.333 -0.581 1.00 0.00 H new ATOM 0 HB2 ARG A 37 11.304 13.371 -2.746 1.00 0.00 H new ATOM 0 HB3 ARG A 37 11.084 14.855 -1.842 1.00 0.00 H new ATOM 0 HG2 ARG A 37 11.256 12.254 -0.319 1.00 0.00 H new ATOM 0 HG3 ARG A 37 12.733 12.952 -0.953 1.00 0.00 H new ATOM 0 HD2 ARG A 37 10.765 14.737 0.515 1.00 0.00 H new ATOM 0 HD3 ARG A 37 11.832 13.702 1.443 1.00 0.00 H new ATOM 0 HE ARG A 37 13.742 14.848 -0.058 1.00 0.00 H new ATOM 0 HH11 ARG A 37 12.903 16.196 2.510 1.00 0.00 H new ATOM 0 HH12 ARG A 37 12.546 17.841 1.974 1.00 0.00 H new ATOM 0 HH21 ARG A 37 12.328 16.884 -1.420 1.00 0.00 H new ATOM 0 HH22 ARG A 37 12.214 18.238 -0.291 1.00 0.00 H new ATOM 358 N ASP A 38 9.200 15.271 -3.135 1.00 0.00 N ATOM 359 CA ASP A 38 8.487 16.415 -3.769 1.00 0.00 C ATOM 360 C ASP A 38 7.721 15.968 -5.007 1.00 0.00 C ATOM 361 O ASP A 38 7.883 16.519 -6.077 1.00 0.00 O ATOM 362 CB ASP A 38 9.529 17.470 -4.183 1.00 0.00 C ATOM 363 CG ASP A 38 8.857 18.845 -4.252 1.00 0.00 C ATOM 364 OD1 ASP A 38 7.830 18.914 -4.906 1.00 0.00 O ATOM 365 OD2 ASP A 38 9.409 19.748 -3.644 1.00 0.00 O ATOM 0 H ASP A 38 10.137 15.089 -3.495 1.00 0.00 H new ATOM 0 HA ASP A 38 7.775 16.826 -3.053 1.00 0.00 H new ATOM 0 HB2 ASP A 38 10.349 17.489 -3.465 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.958 17.213 -5.151 1.00 0.00 H new ATOM 370 N THR A 39 6.898 14.973 -4.832 1.00 0.00 N ATOM 371 CA THR A 39 6.103 14.464 -5.979 1.00 0.00 C ATOM 372 C THR A 39 4.697 15.043 -5.959 1.00 0.00 C ATOM 373 O THR A 39 4.337 15.772 -5.056 1.00 0.00 O ATOM 374 CB THR A 39 6.000 12.948 -5.844 1.00 0.00 C ATOM 375 OG1 THR A 39 6.290 12.684 -4.487 1.00 0.00 O ATOM 376 CG2 THR A 39 7.120 12.250 -6.632 1.00 0.00 C ATOM 0 H THR A 39 6.743 14.492 -3.946 1.00 0.00 H new ATOM 0 HA THR A 39 6.590 14.752 -6.911 1.00 0.00 H new ATOM 0 HB THR A 39 5.026 12.605 -6.194 1.00 0.00 H new ATOM 0 HG1 THR A 39 5.596 12.104 -4.111 1.00 0.00 H new ATOM 0 HG21 THR A 39 7.025 11.170 -6.520 1.00 0.00 H new ATOM 0 HG22 THR A 39 7.042 12.514 -7.687 1.00 0.00 H new ATOM 0 HG23 THR A 39 8.089 12.571 -6.249 1.00 0.00 H new ATOM 384 N ALA A 40 3.922 14.706 -6.952 1.00 0.00 N ATOM 385 CA ALA A 40 2.539 15.232 -6.997 1.00 0.00 C ATOM 386 C ALA A 40 1.789 14.857 -5.728 1.00 0.00 C ATOM 387 O ALA A 40 2.376 14.363 -4.784 1.00 0.00 O ATOM 388 CB ALA A 40 1.812 14.609 -8.199 1.00 0.00 C ATOM 0 H ALA A 40 4.187 14.095 -7.725 1.00 0.00 H new ATOM 0 HA ALA A 40 2.573 16.318 -7.086 1.00 0.00 H new ATOM 0 HB1 ALA A 40 0.791 14.989 -8.243 1.00 0.00 H new ATOM 0 HB2 ALA A 40 2.337 14.871 -9.118 1.00 0.00 H new ATOM 0 HB3 ALA A 40 1.791 13.525 -8.090 1.00 0.00 H new ATOM 394 N ASP A 41 0.503 15.095 -5.729 1.00 0.00 N ATOM 395 CA ASP A 41 -0.310 14.761 -4.532 1.00 0.00 C ATOM 396 C ASP A 41 -1.124 13.497 -4.772 1.00 0.00 C ATOM 397 O ASP A 41 -2.332 13.502 -4.647 1.00 0.00 O ATOM 398 CB ASP A 41 -1.276 15.928 -4.263 1.00 0.00 C ATOM 399 CG ASP A 41 -1.903 15.764 -2.874 1.00 0.00 C ATOM 400 OD1 ASP A 41 -2.313 14.651 -2.592 1.00 0.00 O ATOM 401 OD2 ASP A 41 -1.932 16.762 -2.174 1.00 0.00 O ATOM 0 H ASP A 41 -0.014 15.505 -6.507 1.00 0.00 H new ATOM 0 HA ASP A 41 0.352 14.596 -3.682 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -0.743 16.877 -4.323 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -2.055 15.952 -5.025 1.00 0.00 H new ATOM 406 N GLY A 42 -0.454 12.431 -5.123 1.00 0.00 N ATOM 407 CA GLY A 42 -1.198 11.164 -5.370 1.00 0.00 C ATOM 408 C GLY A 42 -0.337 10.152 -6.130 1.00 0.00 C ATOM 409 O GLY A 42 -0.718 9.683 -7.184 1.00 0.00 O ATOM 0 H GLY A 42 0.557 12.383 -5.247 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.514 10.734 -4.419 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -2.102 11.376 -5.940 1.00 0.00 H new ATOM 413 N THR A 43 0.805 9.830 -5.580 1.00 0.00 N ATOM 414 CA THR A 43 1.693 8.846 -6.267 1.00 0.00 C ATOM 415 C THR A 43 1.450 7.449 -5.707 1.00 0.00 C ATOM 416 O THR A 43 0.775 7.302 -4.718 1.00 0.00 O ATOM 417 CB THR A 43 3.141 9.240 -5.998 1.00 0.00 C ATOM 418 OG1 THR A 43 3.157 10.652 -6.019 1.00 0.00 O ATOM 419 CG2 THR A 43 4.044 8.825 -7.165 1.00 0.00 C ATOM 0 H THR A 43 1.158 10.200 -4.697 1.00 0.00 H new ATOM 0 HA THR A 43 1.485 8.845 -7.337 1.00 0.00 H new ATOM 0 HB THR A 43 3.481 8.781 -5.070 1.00 0.00 H new ATOM 0 HG1 THR A 43 3.743 10.983 -5.307 1.00 0.00 H new ATOM 0 HG21 THR A 43 5.072 9.116 -6.951 1.00 0.00 H new ATOM 0 HG22 THR A 43 3.993 7.744 -7.298 1.00 0.00 H new ATOM 0 HG23 THR A 43 3.710 9.319 -8.077 1.00 0.00 H new ATOM 427 N PHE A 44 2.001 6.435 -6.336 1.00 0.00 N ATOM 428 CA PHE A 44 1.770 5.067 -5.794 1.00 0.00 C ATOM 429 C PHE A 44 2.755 4.035 -6.324 1.00 0.00 C ATOM 430 O PHE A 44 2.988 3.931 -7.512 1.00 0.00 O ATOM 431 CB PHE A 44 0.335 4.622 -6.158 1.00 0.00 C ATOM 432 CG PHE A 44 0.158 4.550 -7.683 1.00 0.00 C ATOM 433 CD1 PHE A 44 0.149 5.705 -8.449 1.00 0.00 C ATOM 434 CD2 PHE A 44 -0.051 3.329 -8.311 1.00 0.00 C ATOM 435 CE1 PHE A 44 -0.069 5.637 -9.807 1.00 0.00 C ATOM 436 CE2 PHE A 44 -0.270 3.272 -9.671 1.00 0.00 C ATOM 437 CZ PHE A 44 -0.277 4.422 -10.416 1.00 0.00 C ATOM 0 H PHE A 44 2.581 6.495 -7.173 1.00 0.00 H new ATOM 0 HA PHE A 44 1.913 5.121 -4.715 1.00 0.00 H new ATOM 0 HB2 PHE A 44 0.129 3.647 -5.717 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -0.386 5.322 -5.736 1.00 0.00 H new ATOM 0 HD1 PHE A 44 0.314 6.663 -7.979 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -0.042 2.418 -7.730 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -0.077 6.542 -10.396 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -0.436 2.319 -10.150 1.00 0.00 H new ATOM 0 HZ PHE A 44 -0.446 4.374 -11.482 1.00 0.00 H new ATOM 447 N LEU A 45 3.318 3.286 -5.405 1.00 0.00 N ATOM 448 CA LEU A 45 4.293 2.240 -5.784 1.00 0.00 C ATOM 449 C LEU A 45 4.186 1.077 -4.788 1.00 0.00 C ATOM 450 O LEU A 45 3.396 1.142 -3.866 1.00 0.00 O ATOM 451 CB LEU A 45 5.725 2.819 -5.758 1.00 0.00 C ATOM 452 CG LEU A 45 5.891 3.804 -4.595 1.00 0.00 C ATOM 453 CD1 LEU A 45 5.678 3.085 -3.264 1.00 0.00 C ATOM 454 CD2 LEU A 45 7.311 4.354 -4.620 1.00 0.00 C ATOM 0 H LEU A 45 3.136 3.363 -4.404 1.00 0.00 H new ATOM 0 HA LEU A 45 4.076 1.886 -6.792 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.448 2.009 -5.661 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.936 3.323 -6.701 1.00 0.00 H new ATOM 0 HG LEU A 45 5.160 4.606 -4.698 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.798 3.793 -2.444 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.673 2.663 -3.235 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.410 2.284 -3.162 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.444 5.057 -3.797 1.00 0.00 H new ATOM 0 HD22 LEU A 45 8.021 3.534 -4.514 1.00 0.00 H new ATOM 0 HD23 LEU A 45 7.486 4.866 -5.566 1.00 0.00 H new ATOM 466 N VAL A 46 4.974 0.042 -4.979 1.00 0.00 N ATOM 467 CA VAL A 46 4.901 -1.124 -4.027 1.00 0.00 C ATOM 468 C VAL A 46 6.054 -1.106 -3.021 1.00 0.00 C ATOM 469 O VAL A 46 7.112 -0.587 -3.294 1.00 0.00 O ATOM 470 CB VAL A 46 4.936 -2.444 -4.867 1.00 0.00 C ATOM 471 CG1 VAL A 46 5.976 -3.441 -4.311 1.00 0.00 C ATOM 472 CG2 VAL A 46 3.553 -3.106 -4.808 1.00 0.00 C ATOM 0 H VAL A 46 5.652 -0.049 -5.735 1.00 0.00 H new ATOM 0 HA VAL A 46 3.976 -1.059 -3.454 1.00 0.00 H new ATOM 0 HB VAL A 46 5.210 -2.188 -5.891 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.973 -4.346 -4.918 1.00 0.00 H new ATOM 0 HG12 VAL A 46 6.967 -2.987 -4.340 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.723 -3.694 -3.281 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.566 -4.027 -5.390 1.00 0.00 H new ATOM 0 HG22 VAL A 46 3.303 -3.335 -3.772 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.807 -2.427 -5.220 1.00 0.00 H new ATOM 482 N ARG A 47 5.806 -1.690 -1.873 1.00 0.00 N ATOM 483 CA ARG A 47 6.837 -1.744 -0.809 1.00 0.00 C ATOM 484 C ARG A 47 6.913 -3.171 -0.245 1.00 0.00 C ATOM 485 O ARG A 47 5.904 -3.762 0.077 1.00 0.00 O ATOM 486 CB ARG A 47 6.416 -0.768 0.322 1.00 0.00 C ATOM 487 CG ARG A 47 7.267 -0.995 1.596 1.00 0.00 C ATOM 488 CD ARG A 47 8.756 -0.858 1.267 1.00 0.00 C ATOM 489 NE ARG A 47 9.520 -0.833 2.542 1.00 0.00 N ATOM 490 CZ ARG A 47 9.594 -1.917 3.263 1.00 0.00 C ATOM 491 NH1 ARG A 47 8.610 -2.200 4.069 1.00 0.00 N ATOM 492 NH2 ARG A 47 10.646 -2.682 3.150 1.00 0.00 N ATOM 0 H ARG A 47 4.920 -2.135 -1.633 1.00 0.00 H new ATOM 0 HA ARG A 47 7.811 -1.464 -1.211 1.00 0.00 H new ATOM 0 HB2 ARG A 47 6.532 0.261 -0.019 1.00 0.00 H new ATOM 0 HB3 ARG A 47 5.361 -0.909 0.555 1.00 0.00 H new ATOM 0 HG2 ARG A 47 6.988 -0.272 2.362 1.00 0.00 H new ATOM 0 HG3 ARG A 47 7.067 -1.986 2.005 1.00 0.00 H new ATOM 0 HD2 ARG A 47 9.085 -1.690 0.645 1.00 0.00 H new ATOM 0 HD3 ARG A 47 8.936 0.055 0.699 1.00 0.00 H new ATOM 0 HE ARG A 47 9.981 0.023 2.850 1.00 0.00 H new ATOM 0 HH11 ARG A 47 7.803 -1.579 4.126 1.00 0.00 H new ATOM 0 HH12 ARG A 47 8.647 -3.043 4.642 1.00 0.00 H new ATOM 0 HH21 ARG A 47 11.394 -2.428 2.505 1.00 0.00 H new ATOM 0 HH22 ARG A 47 10.720 -3.533 3.707 1.00 0.00 H new ATOM 506 N ASP A 48 8.099 -3.700 -0.146 1.00 0.00 N ATOM 507 CA ASP A 48 8.238 -5.079 0.393 1.00 0.00 C ATOM 508 C ASP A 48 7.454 -5.256 1.685 1.00 0.00 C ATOM 509 O ASP A 48 7.527 -4.437 2.579 1.00 0.00 O ATOM 510 CB ASP A 48 9.714 -5.326 0.676 1.00 0.00 C ATOM 511 CG ASP A 48 9.851 -6.303 1.842 1.00 0.00 C ATOM 512 OD1 ASP A 48 9.331 -7.398 1.695 1.00 0.00 O ATOM 513 OD2 ASP A 48 10.467 -5.903 2.816 1.00 0.00 O ATOM 0 H ASP A 48 8.971 -3.242 -0.412 1.00 0.00 H new ATOM 0 HA ASP A 48 7.846 -5.785 -0.339 1.00 0.00 H new ATOM 0 HB2 ASP A 48 10.203 -5.730 -0.211 1.00 0.00 H new ATOM 0 HB3 ASP A 48 10.212 -4.386 0.914 1.00 0.00 H new ATOM 518 N ALA A 49 6.710 -6.330 1.759 1.00 0.00 N ATOM 519 CA ALA A 49 5.913 -6.584 2.984 1.00 0.00 C ATOM 520 C ALA A 49 6.732 -7.365 4.004 1.00 0.00 C ATOM 521 O ALA A 49 7.157 -8.473 3.747 1.00 0.00 O ATOM 522 CB ALA A 49 4.688 -7.423 2.598 1.00 0.00 C ATOM 0 H ALA A 49 6.624 -7.034 1.026 1.00 0.00 H new ATOM 0 HA ALA A 49 5.616 -5.631 3.422 1.00 0.00 H new ATOM 0 HB1 ALA A 49 4.088 -7.621 3.486 1.00 0.00 H new ATOM 0 HB2 ALA A 49 4.088 -6.878 1.869 1.00 0.00 H new ATOM 0 HB3 ALA A 49 5.016 -8.367 2.164 1.00 0.00 H new ATOM 616 N ASP A 56 2.182 -10.434 0.664 1.00 0.00 N ATOM 617 CA ASP A 56 2.838 -10.162 -0.638 1.00 0.00 C ATOM 618 C ASP A 56 3.692 -8.888 -0.554 1.00 0.00 C ATOM 619 O ASP A 56 4.896 -8.959 -0.416 1.00 0.00 O ATOM 620 CB ASP A 56 1.739 -9.991 -1.703 1.00 0.00 C ATOM 621 CG ASP A 56 1.879 -11.094 -2.757 1.00 0.00 C ATOM 622 OD1 ASP A 56 1.782 -12.242 -2.355 1.00 0.00 O ATOM 623 OD2 ASP A 56 2.075 -10.724 -3.903 1.00 0.00 O ATOM 0 HA ASP A 56 3.495 -10.991 -0.902 1.00 0.00 H new ATOM 0 HB2 ASP A 56 0.755 -10.040 -1.237 1.00 0.00 H new ATOM 0 HB3 ASP A 56 1.821 -9.011 -2.173 1.00 0.00 H new ATOM 628 N TYR A 57 3.050 -7.748 -0.645 1.00 0.00 N ATOM 629 CA TYR A 57 3.795 -6.472 -0.570 1.00 0.00 C ATOM 630 C TYR A 57 3.015 -5.445 0.249 1.00 0.00 C ATOM 631 O TYR A 57 2.159 -5.798 1.036 1.00 0.00 O ATOM 632 CB TYR A 57 3.980 -5.944 -2.001 1.00 0.00 C ATOM 633 CG TYR A 57 4.829 -6.942 -2.789 1.00 0.00 C ATOM 634 CD1 TYR A 57 6.195 -6.925 -2.685 1.00 0.00 C ATOM 635 CD2 TYR A 57 4.233 -7.911 -3.554 1.00 0.00 C ATOM 636 CE1 TYR A 57 6.960 -7.869 -3.325 1.00 0.00 C ATOM 637 CE2 TYR A 57 4.992 -8.859 -4.201 1.00 0.00 C ATOM 638 CZ TYR A 57 6.366 -8.846 -4.092 1.00 0.00 C ATOM 639 OH TYR A 57 7.131 -9.794 -4.743 1.00 0.00 O ATOM 0 H TYR A 57 2.042 -7.656 -0.768 1.00 0.00 H new ATOM 0 HA TYR A 57 4.759 -6.637 -0.089 1.00 0.00 H new ATOM 0 HB2 TYR A 57 3.011 -5.810 -2.482 1.00 0.00 H new ATOM 0 HB3 TYR A 57 4.464 -4.968 -1.983 1.00 0.00 H new ATOM 0 HD1 TYR A 57 6.676 -6.160 -2.093 1.00 0.00 H new ATOM 0 HD2 TYR A 57 3.157 -7.930 -3.650 1.00 0.00 H new ATOM 0 HE1 TYR A 57 8.035 -7.845 -3.226 1.00 0.00 H new ATOM 0 HE2 TYR A 57 4.508 -9.618 -4.798 1.00 0.00 H new ATOM 0 HH TYR A 57 6.545 -10.405 -5.236 1.00 0.00 H new ATOM 649 N THR A 58 3.326 -4.196 0.050 1.00 0.00 N ATOM 650 CA THR A 58 2.623 -3.134 0.798 1.00 0.00 C ATOM 651 C THR A 58 2.378 -1.930 -0.099 1.00 0.00 C ATOM 652 O THR A 58 3.291 -1.206 -0.437 1.00 0.00 O ATOM 653 CB THR A 58 3.503 -2.719 1.961 1.00 0.00 C ATOM 654 OG1 THR A 58 3.185 -3.616 3.005 1.00 0.00 O ATOM 655 CG2 THR A 58 3.094 -1.349 2.497 1.00 0.00 C ATOM 0 H THR A 58 4.040 -3.870 -0.602 1.00 0.00 H new ATOM 0 HA THR A 58 1.661 -3.506 1.151 1.00 0.00 H new ATOM 0 HB THR A 58 4.547 -2.708 1.647 1.00 0.00 H new ATOM 0 HG1 THR A 58 2.714 -4.393 2.637 1.00 0.00 H new ATOM 0 HG21 THR A 58 3.741 -1.076 3.330 1.00 0.00 H new ATOM 0 HG22 THR A 58 3.189 -0.606 1.705 1.00 0.00 H new ATOM 0 HG23 THR A 58 2.059 -1.386 2.838 1.00 0.00 H new ATOM 663 N LEU A 59 1.148 -1.737 -0.468 1.00 0.00 N ATOM 664 CA LEU A 59 0.823 -0.590 -1.341 1.00 0.00 C ATOM 665 C LEU A 59 0.979 0.724 -0.584 1.00 0.00 C ATOM 666 O LEU A 59 0.308 0.953 0.404 1.00 0.00 O ATOM 667 CB LEU A 59 -0.636 -0.750 -1.799 1.00 0.00 C ATOM 668 CG LEU A 59 -0.822 -0.097 -3.177 1.00 0.00 C ATOM 669 CD1 LEU A 59 -0.447 -1.107 -4.269 1.00 0.00 C ATOM 670 CD2 LEU A 59 -2.292 0.297 -3.365 1.00 0.00 C ATOM 0 H LEU A 59 0.357 -2.324 -0.202 1.00 0.00 H new ATOM 0 HA LEU A 59 1.501 -0.570 -2.195 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -0.898 -1.807 -1.849 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.307 -0.289 -1.074 1.00 0.00 H new ATOM 0 HG LEU A 59 -0.188 0.787 -3.244 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -0.577 -0.648 -5.249 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.593 -1.408 -4.145 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -1.090 -1.984 -4.190 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -2.422 0.760 -4.343 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -2.918 -0.592 -3.298 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -2.582 1.004 -2.587 1.00 0.00 H new ATOM 682 N THR A 60 1.874 1.568 -1.068 1.00 0.00 N ATOM 683 CA THR A 60 2.098 2.878 -0.397 1.00 0.00 C ATOM 684 C THR A 60 1.972 4.027 -1.394 1.00 0.00 C ATOM 685 O THR A 60 2.463 3.935 -2.502 1.00 0.00 O ATOM 686 CB THR A 60 3.520 2.879 0.185 1.00 0.00 C ATOM 687 OG1 THR A 60 3.357 2.544 1.545 1.00 0.00 O ATOM 688 CG2 THR A 60 4.119 4.305 0.207 1.00 0.00 C ATOM 0 H THR A 60 2.449 1.398 -1.893 1.00 0.00 H new ATOM 0 HA THR A 60 1.351 3.014 0.385 1.00 0.00 H new ATOM 0 HB THR A 60 4.156 2.214 -0.399 1.00 0.00 H new ATOM 0 HG1 THR A 60 2.828 3.237 1.992 1.00 0.00 H new ATOM 0 HG21 THR A 60 5.125 4.271 0.624 1.00 0.00 H new ATOM 0 HG22 THR A 60 4.161 4.698 -0.809 1.00 0.00 H new ATOM 0 HG23 THR A 60 3.494 4.953 0.821 1.00 0.00 H new ATOM 696 N LEU A 61 1.314 5.095 -0.980 1.00 0.00 N ATOM 697 CA LEU A 61 1.153 6.261 -1.903 1.00 0.00 C ATOM 698 C LEU A 61 1.407 7.575 -1.204 1.00 0.00 C ATOM 699 O LEU A 61 1.331 7.673 -0.006 1.00 0.00 O ATOM 700 CB LEU A 61 -0.286 6.298 -2.492 1.00 0.00 C ATOM 701 CG LEU A 61 -1.346 5.868 -1.453 1.00 0.00 C ATOM 702 CD1 LEU A 61 -2.230 7.071 -1.128 1.00 0.00 C ATOM 703 CD2 LEU A 61 -2.227 4.756 -2.041 1.00 0.00 C ATOM 0 H LEU A 61 0.891 5.203 -0.058 1.00 0.00 H new ATOM 0 HA LEU A 61 1.888 6.131 -2.697 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.509 7.306 -2.842 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.340 5.640 -3.359 1.00 0.00 H new ATOM 0 HG LEU A 61 -0.849 5.504 -0.554 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -2.983 6.782 -0.395 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -1.616 7.874 -0.720 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.722 7.417 -2.037 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -2.973 4.456 -1.305 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -2.728 5.124 -2.936 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -1.606 3.898 -2.299 1.00 0.00 H new ATOM 715 N ARG A 62 1.709 8.563 -1.988 1.00 0.00 N ATOM 716 CA ARG A 62 1.979 9.899 -1.423 1.00 0.00 C ATOM 717 C ARG A 62 0.712 10.725 -1.433 1.00 0.00 C ATOM 718 O ARG A 62 0.211 11.077 -2.494 1.00 0.00 O ATOM 719 CB ARG A 62 3.020 10.577 -2.317 1.00 0.00 C ATOM 720 CG ARG A 62 3.455 11.908 -1.703 1.00 0.00 C ATOM 721 CD ARG A 62 4.149 11.659 -0.358 1.00 0.00 C ATOM 722 NE ARG A 62 5.262 12.638 -0.204 1.00 0.00 N ATOM 723 CZ ARG A 62 6.009 12.599 0.865 1.00 0.00 C ATOM 724 NH1 ARG A 62 6.002 11.520 1.601 1.00 0.00 N ATOM 725 NH2 ARG A 62 6.740 13.639 1.164 1.00 0.00 N ATOM 0 H ARG A 62 1.780 8.499 -3.003 1.00 0.00 H new ATOM 0 HA ARG A 62 2.338 9.811 -0.397 1.00 0.00 H new ATOM 0 HB2 ARG A 62 3.885 9.925 -2.440 1.00 0.00 H new ATOM 0 HB3 ARG A 62 2.603 10.745 -3.310 1.00 0.00 H new ATOM 0 HG2 ARG A 62 4.132 12.427 -2.381 1.00 0.00 H new ATOM 0 HG3 ARG A 62 2.588 12.554 -1.561 1.00 0.00 H new ATOM 0 HD2 ARG A 62 3.436 11.766 0.460 1.00 0.00 H new ATOM 0 HD3 ARG A 62 4.534 10.640 -0.315 1.00 0.00 H new ATOM 0 HE ARG A 62 5.438 13.333 -0.929 1.00 0.00 H new ATOM 0 HH11 ARG A 62 5.419 10.726 1.336 1.00 0.00 H new ATOM 0 HH12 ARG A 62 6.580 11.471 2.440 1.00 0.00 H new ATOM 0 HH21 ARG A 62 6.721 14.465 0.565 1.00 0.00 H new ATOM 0 HH22 ARG A 62 7.330 13.626 1.996 1.00 0.00 H new ATOM 739 N LYS A 63 0.202 11.016 -0.255 1.00 0.00 N ATOM 740 CA LYS A 63 -1.047 11.825 -0.182 1.00 0.00 C ATOM 741 C LYS A 63 -0.764 13.316 -0.278 1.00 0.00 C ATOM 742 O LYS A 63 -1.616 14.137 0.003 1.00 0.00 O ATOM 743 CB LYS A 63 -1.745 11.507 1.139 1.00 0.00 C ATOM 744 CG LYS A 63 -1.084 12.308 2.236 1.00 0.00 C ATOM 745 CD LYS A 63 -1.422 11.718 3.626 1.00 0.00 C ATOM 746 CE LYS A 63 -2.244 12.740 4.416 1.00 0.00 C ATOM 747 NZ LYS A 63 -3.557 12.976 3.748 1.00 0.00 N ATOM 0 H LYS A 63 0.594 10.730 0.642 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.685 11.567 -1.028 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -2.805 11.754 1.076 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -1.678 10.441 1.356 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.004 12.311 2.090 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -1.415 13.345 2.186 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -1.982 10.790 3.515 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -0.506 11.475 4.164 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -2.405 12.380 5.432 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -1.694 13.678 4.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -4.216 13.416 4.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -3.423 13.608 2.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -3.949 12.069 3.423 1.00 0.00 H new ATOM 761 N GLY A 64 0.416 13.630 -0.686 1.00 0.00 N ATOM 762 CA GLY A 64 0.800 15.071 -0.819 1.00 0.00 C ATOM 763 C GLY A 64 1.462 15.606 0.450 1.00 0.00 C ATOM 764 O GLY A 64 2.229 16.549 0.394 1.00 0.00 O ATOM 0 H GLY A 64 1.143 12.961 -0.937 1.00 0.00 H new ATOM 0 HA2 GLY A 64 1.482 15.188 -1.661 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -0.087 15.664 -1.043 1.00 0.00 H new ATOM 768 N GLY A 65 1.158 14.996 1.560 1.00 0.00 N ATOM 769 CA GLY A 65 1.762 15.459 2.851 1.00 0.00 C ATOM 770 C GLY A 65 2.647 14.378 3.447 1.00 0.00 C ATOM 771 O GLY A 65 3.708 14.654 3.971 1.00 0.00 O ATOM 0 H GLY A 65 0.522 14.202 1.635 1.00 0.00 H new ATOM 0 HA2 GLY A 65 2.347 16.363 2.681 1.00 0.00 H new ATOM 0 HA3 GLY A 65 0.972 15.719 3.556 1.00 0.00 H new ATOM 775 N ASN A 66 2.194 13.174 3.352 1.00 0.00 N ATOM 776 CA ASN A 66 2.974 12.063 3.899 1.00 0.00 C ATOM 777 C ASN A 66 2.770 10.786 3.097 1.00 0.00 C ATOM 778 O ASN A 66 1.905 10.708 2.247 1.00 0.00 O ATOM 779 CB ASN A 66 2.475 11.832 5.315 1.00 0.00 C ATOM 780 CG ASN A 66 3.488 10.990 6.079 1.00 0.00 C ATOM 781 OD1 ASN A 66 3.540 9.711 5.844 1.00 0.00 O flip ATOM 782 ND2 ASN A 66 4.240 11.486 6.894 1.00 0.00 N flip ATOM 0 H ASN A 66 1.310 12.914 2.915 1.00 0.00 H new ATOM 0 HA ASN A 66 4.035 12.310 3.866 1.00 0.00 H new ATOM 0 HB2 ASN A 66 2.325 12.787 5.819 1.00 0.00 H new ATOM 0 HB3 ASN A 66 1.509 11.328 5.294 1.00 0.00 H new ATOM 0 HD21 ASN A 66 4.201 12.488 7.080 1.00 0.00 H new ATOM 0 HD22 ASN A 66 4.910 10.900 7.392 1.00 0.00 H new ATOM 789 N ASN A 67 3.578 9.807 3.385 1.00 0.00 N ATOM 790 CA ASN A 67 3.463 8.523 2.667 1.00 0.00 C ATOM 791 C ASN A 67 2.455 7.618 3.358 1.00 0.00 C ATOM 792 O ASN A 67 2.593 7.305 4.524 1.00 0.00 O ATOM 793 CB ASN A 67 4.838 7.832 2.691 1.00 0.00 C ATOM 794 CG ASN A 67 5.735 8.521 3.720 1.00 0.00 C ATOM 795 OD1 ASN A 67 6.214 9.617 3.507 1.00 0.00 O ATOM 796 ND2 ASN A 67 5.988 7.912 4.847 1.00 0.00 N ATOM 0 H ASN A 67 4.314 9.847 4.090 1.00 0.00 H new ATOM 0 HA ASN A 67 3.133 8.709 1.645 1.00 0.00 H new ATOM 0 HB2 ASN A 67 4.723 6.777 2.941 1.00 0.00 H new ATOM 0 HB3 ASN A 67 5.297 7.877 1.704 1.00 0.00 H new ATOM 0 HD21 ASN A 67 6.585 8.357 5.544 1.00 0.00 H new ATOM 0 HD22 ASN A 67 5.588 6.992 5.030 1.00 0.00 H new ATOM 803 N LYS A 68 1.458 7.218 2.631 1.00 0.00 N ATOM 804 CA LYS A 68 0.434 6.332 3.228 1.00 0.00 C ATOM 805 C LYS A 68 0.876 4.891 3.096 1.00 0.00 C ATOM 806 O LYS A 68 1.505 4.533 2.123 1.00 0.00 O ATOM 807 CB LYS A 68 -0.872 6.510 2.447 1.00 0.00 C ATOM 808 CG LYS A 68 -1.698 7.618 3.083 1.00 0.00 C ATOM 809 CD LYS A 68 -2.948 7.843 2.231 1.00 0.00 C ATOM 810 CE LYS A 68 -3.979 8.648 3.032 1.00 0.00 C ATOM 811 NZ LYS A 68 -5.096 7.765 3.470 1.00 0.00 N ATOM 0 H LYS A 68 1.308 7.465 1.653 1.00 0.00 H new ATOM 0 HA LYS A 68 0.296 6.582 4.280 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -0.656 6.755 1.407 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -1.436 5.577 2.444 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -1.978 7.345 4.101 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -1.114 8.536 3.148 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -2.686 8.376 1.317 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -3.373 6.885 1.931 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -3.502 9.101 3.901 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -4.368 9.463 2.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -5.787 8.322 4.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -5.561 7.353 2.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -4.721 7.002 4.069 1.00 0.00 H new ATOM 825 N LEU A 69 0.545 4.088 4.081 1.00 0.00 N ATOM 826 CA LEU A 69 0.943 2.658 4.027 1.00 0.00 C ATOM 827 C LEU A 69 -0.260 1.724 4.046 1.00 0.00 C ATOM 828 O LEU A 69 -0.807 1.428 5.091 1.00 0.00 O ATOM 829 CB LEU A 69 1.805 2.360 5.257 1.00 0.00 C ATOM 830 CG LEU A 69 2.681 1.149 4.958 1.00 0.00 C ATOM 831 CD1 LEU A 69 4.040 1.631 4.443 1.00 0.00 C ATOM 832 CD2 LEU A 69 2.884 0.343 6.242 1.00 0.00 C ATOM 0 H LEU A 69 0.020 4.365 4.911 1.00 0.00 H new ATOM 0 HA LEU A 69 1.484 2.489 3.096 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.424 3.223 5.503 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.173 2.164 6.123 1.00 0.00 H new ATOM 0 HG LEU A 69 2.202 0.523 4.206 1.00 0.00 H new ATOM 0 HD11 LEU A 69 4.673 0.771 4.227 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.898 2.215 3.534 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.517 2.251 5.202 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.510 -0.524 6.032 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.370 0.968 6.991 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.917 0.010 6.619 1.00 0.00 H new ATOM 844 N ILE A 70 -0.645 1.279 2.880 1.00 0.00 N ATOM 845 CA ILE A 70 -1.807 0.358 2.786 1.00 0.00 C ATOM 846 C ILE A 70 -1.302 -1.066 2.564 1.00 0.00 C ATOM 847 O ILE A 70 -0.374 -1.291 1.807 1.00 0.00 O ATOM 848 CB ILE A 70 -2.677 0.790 1.602 1.00 0.00 C ATOM 849 CG1 ILE A 70 -3.346 2.127 1.921 1.00 0.00 C ATOM 850 CG2 ILE A 70 -3.777 -0.274 1.367 1.00 0.00 C ATOM 851 CD1 ILE A 70 -2.966 3.136 0.844 1.00 0.00 C ATOM 0 H ILE A 70 -0.204 1.515 1.991 1.00 0.00 H new ATOM 0 HA ILE A 70 -2.392 0.391 3.705 1.00 0.00 H new ATOM 0 HB ILE A 70 -2.055 0.891 0.712 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -4.429 2.007 1.961 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -3.029 2.483 2.901 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -4.401 0.027 0.525 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -3.312 -1.236 1.149 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -4.394 -0.364 2.261 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -3.438 4.094 1.061 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -1.883 3.260 0.827 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -3.305 2.776 -0.127 1.00 0.00 H new ATOM 863 N LYS A 71 -1.921 -1.999 3.219 1.00 0.00 N ATOM 864 CA LYS A 71 -1.488 -3.409 3.060 1.00 0.00 C ATOM 865 C LYS A 71 -2.197 -4.122 1.907 1.00 0.00 C ATOM 866 O LYS A 71 -3.289 -3.763 1.514 1.00 0.00 O ATOM 867 CB LYS A 71 -1.812 -4.156 4.368 1.00 0.00 C ATOM 868 CG LYS A 71 -3.153 -3.654 4.922 1.00 0.00 C ATOM 869 CD LYS A 71 -3.924 -4.831 5.517 1.00 0.00 C ATOM 870 CE LYS A 71 -3.077 -5.488 6.607 1.00 0.00 C ATOM 871 NZ LYS A 71 -2.430 -6.723 6.088 1.00 0.00 N ATOM 0 H LYS A 71 -2.704 -1.849 3.855 1.00 0.00 H new ATOM 0 HA LYS A 71 -0.421 -3.408 2.836 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -1.860 -5.229 4.185 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -1.020 -3.993 5.099 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -2.983 -2.893 5.684 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -3.736 -3.186 4.128 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -4.871 -4.488 5.933 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -4.162 -5.556 4.739 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -2.316 -4.790 6.955 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -3.703 -5.731 7.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -2.440 -7.456 6.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -2.950 -7.063 5.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -1.447 -6.514 5.822 1.00 0.00 H new ATOM 885 N ILE A 72 -1.532 -5.122 1.394 1.00 0.00 N ATOM 886 CA ILE A 72 -2.090 -5.915 0.269 1.00 0.00 C ATOM 887 C ILE A 72 -2.522 -7.280 0.816 1.00 0.00 C ATOM 888 O ILE A 72 -1.742 -7.942 1.475 1.00 0.00 O ATOM 889 CB ILE A 72 -0.962 -6.111 -0.755 1.00 0.00 C ATOM 890 CG1 ILE A 72 -0.766 -4.827 -1.597 1.00 0.00 C ATOM 891 CG2 ILE A 72 -1.307 -7.302 -1.671 1.00 0.00 C ATOM 892 CD1 ILE A 72 -1.799 -4.737 -2.740 1.00 0.00 C ATOM 0 H ILE A 72 -0.612 -5.425 1.714 1.00 0.00 H new ATOM 0 HA ILE A 72 -2.943 -5.416 -0.192 1.00 0.00 H new ATOM 0 HB ILE A 72 -0.031 -6.318 -0.227 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -0.856 -3.952 -0.954 1.00 0.00 H new ATOM 0 HG13 ILE A 72 0.241 -4.814 -2.014 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -0.509 -7.444 -2.399 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -1.414 -8.205 -1.069 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -2.242 -7.101 -2.193 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -1.632 -3.823 -3.310 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.691 -5.600 -3.397 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -2.805 -4.724 -2.321 1.00 0.00 H new ATOM 904 N PHE A 73 -3.746 -7.689 0.541 1.00 0.00 N ATOM 905 CA PHE A 73 -4.194 -9.014 1.068 1.00 0.00 C ATOM 906 C PHE A 73 -4.028 -10.135 0.040 1.00 0.00 C ATOM 907 O PHE A 73 -4.746 -10.210 -0.936 1.00 0.00 O ATOM 908 CB PHE A 73 -5.681 -8.914 1.481 1.00 0.00 C ATOM 909 CG PHE A 73 -6.126 -7.436 1.523 1.00 0.00 C ATOM 910 CD1 PHE A 73 -5.368 -6.488 2.194 1.00 0.00 C ATOM 911 CD2 PHE A 73 -7.285 -7.031 0.880 1.00 0.00 C ATOM 912 CE1 PHE A 73 -5.761 -5.166 2.216 1.00 0.00 C ATOM 913 CE2 PHE A 73 -7.673 -5.705 0.906 1.00 0.00 C ATOM 914 CZ PHE A 73 -6.909 -4.774 1.573 1.00 0.00 C ATOM 0 H PHE A 73 -4.433 -7.175 -0.011 1.00 0.00 H new ATOM 0 HA PHE A 73 -3.568 -9.261 1.925 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -6.300 -9.467 0.775 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -5.826 -9.373 2.459 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -4.464 -6.787 2.703 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -7.889 -7.756 0.355 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -5.163 -4.436 2.741 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -8.578 -5.398 0.402 1.00 0.00 H new ATOM 0 HZ PHE A 73 -7.212 -3.738 1.590 1.00 0.00 H new ATOM 924 N HIS A 74 -3.063 -10.989 0.300 1.00 0.00 N ATOM 925 CA HIS A 74 -2.785 -12.134 -0.613 1.00 0.00 C ATOM 926 C HIS A 74 -3.000 -13.455 0.137 1.00 0.00 C ATOM 927 O HIS A 74 -3.101 -13.458 1.349 1.00 0.00 O ATOM 928 CB HIS A 74 -1.311 -12.042 -1.034 1.00 0.00 C ATOM 929 CG HIS A 74 -0.741 -13.447 -1.218 1.00 0.00 C ATOM 930 ND1 HIS A 74 -0.859 -14.313 -2.285 1.00 0.00 N flip ATOM 931 CD2 HIS A 74 -0.049 -14.053 -0.373 1.00 0.00 C flip ATOM 932 CE1 HIS A 74 -0.188 -15.464 -2.003 1.00 0.00 C flip ATOM 933 NE2 HIS A 74 0.283 -15.204 -0.784 1.00 0.00 N flip ATOM 0 H HIS A 74 -2.453 -10.936 1.116 1.00 0.00 H new ATOM 0 HA HIS A 74 -3.447 -12.100 -1.478 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -1.222 -11.478 -1.963 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -0.740 -11.503 -0.278 1.00 0.00 H new ATOM 0 HD1 HIS A 74 -1.368 -14.122 -3.148 1.00 0.00 H new ATOM 0 HD2 HIS A 74 0.231 -13.646 0.588 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -0.069 -16.352 -2.607 1.00 0.00 H new ATOM 941 N ARG A 75 -3.069 -14.557 -0.581 1.00 0.00 N ATOM 942 CA ARG A 75 -3.275 -15.852 0.127 1.00 0.00 C ATOM 943 C ARG A 75 -2.604 -17.027 -0.605 1.00 0.00 C ATOM 944 O ARG A 75 -1.551 -17.481 -0.201 1.00 0.00 O ATOM 945 CB ARG A 75 -4.787 -16.106 0.251 1.00 0.00 C ATOM 946 CG ARG A 75 -5.051 -16.806 1.582 1.00 0.00 C ATOM 947 CD ARG A 75 -6.490 -17.299 1.610 1.00 0.00 C ATOM 948 NE ARG A 75 -7.407 -16.129 1.504 1.00 0.00 N ATOM 949 CZ ARG A 75 -8.522 -16.126 2.181 1.00 0.00 C ATOM 950 NH1 ARG A 75 -9.106 -17.264 2.440 1.00 0.00 N ATOM 951 NH2 ARG A 75 -9.015 -14.984 2.579 1.00 0.00 N ATOM 0 H ARG A 75 -2.993 -14.610 -1.597 1.00 0.00 H new ATOM 0 HA ARG A 75 -2.813 -15.784 1.112 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -5.335 -15.165 0.202 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -5.137 -16.722 -0.577 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -4.364 -17.643 1.709 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -4.873 -16.119 2.410 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -6.667 -17.991 0.787 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -6.683 -17.846 2.533 1.00 0.00 H new ATOM 0 HE ARG A 75 -7.165 -15.338 0.908 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -8.690 -18.136 2.114 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -9.978 -17.281 2.968 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -8.529 -14.114 2.359 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -9.886 -14.962 3.109 1.00 0.00 H new ATOM 965 N ASP A 76 -3.214 -17.500 -1.660 1.00 0.00 N ATOM 966 CA ASP A 76 -2.603 -18.635 -2.400 1.00 0.00 C ATOM 967 C ASP A 76 -1.668 -18.139 -3.493 1.00 0.00 C ATOM 968 O ASP A 76 -0.525 -18.543 -3.570 1.00 0.00 O ATOM 969 CB ASP A 76 -3.724 -19.455 -3.044 1.00 0.00 C ATOM 970 CG ASP A 76 -3.780 -20.838 -2.390 1.00 0.00 C ATOM 971 OD1 ASP A 76 -2.741 -21.478 -2.388 1.00 0.00 O ATOM 972 OD2 ASP A 76 -4.859 -21.176 -1.929 1.00 0.00 O ATOM 0 H ASP A 76 -4.097 -17.153 -2.035 1.00 0.00 H new ATOM 0 HA ASP A 76 -2.026 -19.240 -1.700 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -4.679 -18.944 -2.923 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -3.549 -19.554 -4.115 1.00 0.00 H new ATOM 977 N GLY A 77 -2.175 -17.274 -4.319 1.00 0.00 N ATOM 978 CA GLY A 77 -1.340 -16.729 -5.422 1.00 0.00 C ATOM 979 C GLY A 77 -2.063 -15.557 -6.074 1.00 0.00 C ATOM 980 O GLY A 77 -1.601 -14.998 -7.050 1.00 0.00 O ATOM 0 H GLY A 77 -3.131 -16.920 -4.280 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -0.374 -16.405 -5.035 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -1.143 -17.505 -6.161 1.00 0.00 H new ATOM 984 N LYS A 78 -3.190 -15.214 -5.507 1.00 0.00 N ATOM 985 CA LYS A 78 -3.982 -14.094 -6.048 1.00 0.00 C ATOM 986 C LYS A 78 -3.811 -12.855 -5.173 1.00 0.00 C ATOM 987 O LYS A 78 -2.873 -12.766 -4.412 1.00 0.00 O ATOM 988 CB LYS A 78 -5.465 -14.529 -6.063 1.00 0.00 C ATOM 989 CG LYS A 78 -5.630 -15.816 -5.250 1.00 0.00 C ATOM 990 CD LYS A 78 -7.121 -16.129 -5.121 1.00 0.00 C ATOM 991 CE LYS A 78 -7.306 -17.472 -4.404 1.00 0.00 C ATOM 992 NZ LYS A 78 -8.200 -18.364 -5.194 1.00 0.00 N ATOM 0 H LYS A 78 -3.590 -15.671 -4.687 1.00 0.00 H new ATOM 0 HA LYS A 78 -3.646 -13.846 -7.055 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -6.090 -13.740 -5.645 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -5.797 -14.689 -7.089 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -5.112 -16.641 -5.740 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -5.182 -15.699 -4.263 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -7.622 -15.337 -4.565 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -7.582 -16.166 -6.108 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -6.338 -17.951 -4.261 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -7.730 -17.307 -3.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -8.316 -19.269 -4.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -9.129 -17.911 -5.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -7.780 -18.535 -6.130 1.00 0.00 H new ATOM 1006 N TYR A 79 -4.714 -11.918 -5.305 1.00 0.00 N ATOM 1007 CA TYR A 79 -4.615 -10.686 -4.491 1.00 0.00 C ATOM 1008 C TYR A 79 -5.954 -10.308 -3.922 1.00 0.00 C ATOM 1009 O TYR A 79 -6.983 -10.757 -4.383 1.00 0.00 O ATOM 1010 CB TYR A 79 -4.159 -9.541 -5.395 1.00 0.00 C ATOM 1011 CG TYR A 79 -2.674 -9.671 -5.673 1.00 0.00 C ATOM 1012 CD1 TYR A 79 -2.214 -10.619 -6.553 1.00 0.00 C ATOM 1013 CD2 TYR A 79 -1.775 -8.823 -5.071 1.00 0.00 C ATOM 1014 CE1 TYR A 79 -0.873 -10.724 -6.834 1.00 0.00 C ATOM 1015 CE2 TYR A 79 -0.430 -8.922 -5.348 1.00 0.00 C ATOM 1016 CZ TYR A 79 0.034 -9.875 -6.234 1.00 0.00 C ATOM 1017 OH TYR A 79 1.381 -9.971 -6.520 1.00 0.00 O ATOM 0 H TYR A 79 -5.510 -11.959 -5.941 1.00 0.00 H new ATOM 0 HA TYR A 79 -3.912 -10.865 -3.678 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -4.717 -9.559 -6.331 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -4.367 -8.583 -4.918 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -2.914 -11.290 -7.030 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -2.126 -8.074 -4.376 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -0.527 -11.475 -7.528 1.00 0.00 H new ATOM 0 HE2 TYR A 79 0.267 -8.250 -4.869 1.00 0.00 H new ATOM 0 HH TYR A 79 1.865 -10.268 -5.721 1.00 0.00 H new ATOM 1027 N GLY A 80 -5.911 -9.481 -2.931 1.00 0.00 N ATOM 1028 CA GLY A 80 -7.156 -9.031 -2.287 1.00 0.00 C ATOM 1029 C GLY A 80 -7.118 -7.528 -2.170 1.00 0.00 C ATOM 1030 O GLY A 80 -6.279 -6.976 -1.483 1.00 0.00 O ATOM 0 H GLY A 80 -5.055 -9.093 -2.535 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -8.020 -9.344 -2.873 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -7.258 -9.485 -1.301 1.00 0.00 H new ATOM 1034 N PHE A 81 -8.002 -6.894 -2.868 1.00 0.00 N ATOM 1035 CA PHE A 81 -8.047 -5.430 -2.822 1.00 0.00 C ATOM 1036 C PHE A 81 -9.450 -4.947 -3.111 1.00 0.00 C ATOM 1037 O PHE A 81 -9.879 -3.923 -2.614 1.00 0.00 O ATOM 1038 CB PHE A 81 -7.103 -4.891 -3.901 1.00 0.00 C ATOM 1039 CG PHE A 81 -6.234 -3.809 -3.285 1.00 0.00 C ATOM 1040 CD1 PHE A 81 -5.215 -4.143 -2.418 1.00 0.00 C ATOM 1041 CD2 PHE A 81 -6.490 -2.481 -3.541 1.00 0.00 C ATOM 1042 CE1 PHE A 81 -4.471 -3.159 -1.808 1.00 0.00 C ATOM 1043 CE2 PHE A 81 -5.747 -1.498 -2.930 1.00 0.00 C ATOM 1044 CZ PHE A 81 -4.736 -1.839 -2.062 1.00 0.00 C ATOM 0 H PHE A 81 -8.697 -7.334 -3.471 1.00 0.00 H new ATOM 0 HA PHE A 81 -7.747 -5.081 -1.834 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -6.483 -5.695 -4.297 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -7.674 -4.488 -4.737 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -5.000 -5.182 -2.217 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -7.279 -2.209 -4.226 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -3.677 -3.428 -1.128 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -5.957 -0.458 -3.132 1.00 0.00 H new ATOM 0 HZ PHE A 81 -4.152 -1.068 -1.582 1.00 0.00 H new ATOM 1054 N SER A 82 -10.136 -5.704 -3.911 1.00 0.00 N ATOM 1055 CA SER A 82 -11.529 -5.335 -4.271 1.00 0.00 C ATOM 1056 C SER A 82 -12.420 -6.560 -4.290 1.00 0.00 C ATOM 1057 O SER A 82 -13.370 -6.654 -3.539 1.00 0.00 O ATOM 1058 CB SER A 82 -11.523 -4.714 -5.672 1.00 0.00 C ATOM 1059 OG SER A 82 -10.967 -5.728 -6.499 1.00 0.00 O ATOM 0 H SER A 82 -9.792 -6.566 -4.334 1.00 0.00 H new ATOM 0 HA SER A 82 -11.911 -4.631 -3.532 1.00 0.00 H new ATOM 0 HB2 SER A 82 -12.529 -4.445 -5.993 1.00 0.00 H new ATOM 0 HB3 SER A 82 -10.925 -3.803 -5.702 1.00 0.00 H new ATOM 0 HG SER A 82 -11.339 -5.654 -7.403 1.00 0.00 H new ATOM 1065 N ASP A 83 -12.100 -7.475 -5.148 1.00 0.00 N ATOM 1066 CA ASP A 83 -12.916 -8.709 -5.238 1.00 0.00 C ATOM 1067 C ASP A 83 -12.508 -9.697 -4.120 1.00 0.00 C ATOM 1068 O ASP A 83 -11.391 -9.652 -3.655 1.00 0.00 O ATOM 1069 CB ASP A 83 -12.641 -9.365 -6.610 1.00 0.00 C ATOM 1070 CG ASP A 83 -13.951 -9.462 -7.397 1.00 0.00 C ATOM 1071 OD1 ASP A 83 -14.484 -8.405 -7.697 1.00 0.00 O ATOM 1072 OD2 ASP A 83 -14.347 -10.587 -7.655 1.00 0.00 O ATOM 0 H ASP A 83 -11.310 -7.424 -5.791 1.00 0.00 H new ATOM 0 HA ASP A 83 -13.972 -8.464 -5.127 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -11.911 -8.777 -7.167 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -12.212 -10.358 -6.472 1.00 0.00 H new ATOM 1077 N PRO A 84 -13.427 -10.575 -3.696 1.00 0.00 N ATOM 1078 CA PRO A 84 -13.113 -11.542 -2.641 1.00 0.00 C ATOM 1079 C PRO A 84 -12.002 -12.503 -3.101 1.00 0.00 C ATOM 1080 O PRO A 84 -12.251 -13.659 -3.381 1.00 0.00 O ATOM 1081 CB PRO A 84 -14.445 -12.311 -2.403 1.00 0.00 C ATOM 1082 CG PRO A 84 -15.448 -11.846 -3.502 1.00 0.00 C ATOM 1083 CD PRO A 84 -14.806 -10.653 -4.226 1.00 0.00 C ATOM 0 HA PRO A 84 -12.748 -11.062 -1.733 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -14.283 -13.387 -2.460 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -14.839 -12.100 -1.409 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -15.654 -12.655 -4.202 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -16.401 -11.559 -3.057 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -14.805 -10.802 -5.306 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -15.355 -9.732 -4.031 1.00 0.00 H new ATOM 1091 N LEU A 85 -10.785 -11.983 -3.156 1.00 0.00 N ATOM 1092 CA LEU A 85 -9.617 -12.815 -3.592 1.00 0.00 C ATOM 1093 C LEU A 85 -10.046 -13.913 -4.564 1.00 0.00 C ATOM 1094 O LEU A 85 -9.905 -15.086 -4.285 1.00 0.00 O ATOM 1095 CB LEU A 85 -8.969 -13.451 -2.341 1.00 0.00 C ATOM 1096 CG LEU A 85 -7.956 -12.460 -1.745 1.00 0.00 C ATOM 1097 CD1 LEU A 85 -7.959 -12.581 -0.229 1.00 0.00 C ATOM 1098 CD2 LEU A 85 -6.553 -12.785 -2.269 1.00 0.00 C ATOM 0 H LEU A 85 -10.559 -11.018 -2.916 1.00 0.00 H new ATOM 0 HA LEU A 85 -8.903 -12.174 -4.109 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -9.734 -13.697 -1.604 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -8.472 -14.384 -2.607 1.00 0.00 H new ATOM 0 HG LEU A 85 -8.232 -11.446 -2.034 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -7.241 -11.878 0.194 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -8.955 -12.355 0.152 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -7.683 -13.597 0.055 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -5.835 -12.082 -1.846 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -6.282 -13.800 -1.978 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -6.543 -12.704 -3.356 1.00 0.00 H new ATOM 1110 N THR A 86 -10.590 -13.498 -5.686 1.00 0.00 N ATOM 1111 CA THR A 86 -11.043 -14.485 -6.705 1.00 0.00 C ATOM 1112 C THR A 86 -10.415 -14.183 -8.060 1.00 0.00 C ATOM 1113 O THR A 86 -10.477 -14.988 -8.968 1.00 0.00 O ATOM 1114 CB THR A 86 -12.569 -14.399 -6.828 1.00 0.00 C ATOM 1115 OG1 THR A 86 -12.873 -14.956 -8.087 1.00 0.00 O ATOM 1116 CG2 THR A 86 -13.031 -12.942 -6.928 1.00 0.00 C ATOM 0 H THR A 86 -10.737 -12.520 -5.934 1.00 0.00 H new ATOM 0 HA THR A 86 -10.739 -15.485 -6.394 1.00 0.00 H new ATOM 0 HB THR A 86 -13.035 -14.887 -5.972 1.00 0.00 H new ATOM 0 HG1 THR A 86 -12.083 -15.416 -8.440 1.00 0.00 H new ATOM 0 HG21 THR A 86 -14.117 -12.910 -7.014 1.00 0.00 H new ATOM 0 HG22 THR A 86 -12.722 -12.400 -6.034 1.00 0.00 H new ATOM 0 HG23 THR A 86 -12.583 -12.478 -7.807 1.00 0.00 H new ATOM 1124 N PHE A 87 -9.815 -13.026 -8.171 1.00 0.00 N ATOM 1125 CA PHE A 87 -9.178 -12.661 -9.458 1.00 0.00 C ATOM 1126 C PHE A 87 -7.733 -13.135 -9.447 1.00 0.00 C ATOM 1127 O PHE A 87 -7.480 -14.299 -9.213 1.00 0.00 O ATOM 1128 CB PHE A 87 -9.251 -11.116 -9.669 1.00 0.00 C ATOM 1129 CG PHE A 87 -8.571 -10.356 -8.513 1.00 0.00 C ATOM 1130 CD1 PHE A 87 -9.122 -10.353 -7.238 1.00 0.00 C ATOM 1131 CD2 PHE A 87 -7.406 -9.633 -8.739 1.00 0.00 C ATOM 1132 CE1 PHE A 87 -8.516 -9.649 -6.219 1.00 0.00 C ATOM 1133 CE2 PHE A 87 -6.810 -8.931 -7.715 1.00 0.00 C ATOM 1134 CZ PHE A 87 -7.364 -8.941 -6.458 1.00 0.00 C ATOM 0 H PHE A 87 -9.742 -12.328 -7.430 1.00 0.00 H new ATOM 0 HA PHE A 87 -9.705 -13.141 -10.282 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -8.770 -10.853 -10.611 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -10.293 -10.807 -9.746 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -10.030 -10.905 -7.044 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -6.965 -9.622 -9.725 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -8.949 -9.654 -5.230 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -5.905 -8.371 -7.901 1.00 0.00 H new ATOM 0 HZ PHE A 87 -6.893 -8.391 -5.657 1.00 0.00 H new ATOM 1144 N ASN A 88 -6.800 -12.258 -9.686 1.00 0.00 N ATOM 1145 CA ASN A 88 -5.385 -12.731 -9.671 1.00 0.00 C ATOM 1146 C ASN A 88 -4.368 -11.651 -10.004 1.00 0.00 C ATOM 1147 O ASN A 88 -3.417 -11.463 -9.279 1.00 0.00 O ATOM 1148 CB ASN A 88 -5.241 -13.855 -10.710 1.00 0.00 C ATOM 1149 CG ASN A 88 -6.236 -13.626 -11.851 1.00 0.00 C ATOM 1150 OD1 ASN A 88 -6.200 -12.617 -12.527 1.00 0.00 O ATOM 1151 ND2 ASN A 88 -7.135 -14.539 -12.101 1.00 0.00 N ATOM 0 H ASN A 88 -6.944 -11.268 -9.885 1.00 0.00 H new ATOM 0 HA ASN A 88 -5.176 -13.064 -8.654 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -4.223 -13.876 -11.100 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -5.424 -14.823 -10.242 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -7.802 -14.403 -12.860 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -7.170 -15.388 -11.537 1.00 0.00 H new ATOM 1158 N SER A 89 -4.571 -10.968 -11.084 1.00 0.00 N ATOM 1159 CA SER A 89 -3.597 -9.899 -11.458 1.00 0.00 C ATOM 1160 C SER A 89 -4.017 -8.510 -11.012 1.00 0.00 C ATOM 1161 O SER A 89 -5.168 -8.098 -11.144 1.00 0.00 O ATOM 1162 CB SER A 89 -3.451 -9.885 -12.974 1.00 0.00 C ATOM 1163 OG SER A 89 -4.343 -10.897 -13.423 1.00 0.00 O ATOM 0 H SER A 89 -5.356 -11.094 -11.723 1.00 0.00 H new ATOM 0 HA SER A 89 -2.661 -10.133 -10.951 1.00 0.00 H new ATOM 0 HB2 SER A 89 -3.712 -8.912 -13.390 1.00 0.00 H new ATOM 0 HB3 SER A 89 -2.425 -10.096 -13.277 1.00 0.00 H new ATOM 0 HG SER A 89 -4.310 -10.952 -14.401 1.00 0.00 H new ATOM 1169 N VAL A 90 -3.050 -7.792 -10.524 1.00 0.00 N ATOM 1170 CA VAL A 90 -3.324 -6.429 -10.058 1.00 0.00 C ATOM 1171 C VAL A 90 -3.389 -5.505 -11.244 1.00 0.00 C ATOM 1172 O VAL A 90 -4.070 -4.500 -11.221 1.00 0.00 O ATOM 1173 CB VAL A 90 -2.187 -5.979 -9.126 1.00 0.00 C ATOM 1174 CG1 VAL A 90 -2.476 -4.558 -8.632 1.00 0.00 C ATOM 1175 CG2 VAL A 90 -2.115 -6.925 -7.924 1.00 0.00 C ATOM 0 H VAL A 90 -2.082 -8.100 -10.431 1.00 0.00 H new ATOM 0 HA VAL A 90 -4.272 -6.404 -9.521 1.00 0.00 H new ATOM 0 HB VAL A 90 -1.240 -5.997 -9.665 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -1.673 -4.233 -7.970 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -2.540 -3.882 -9.485 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -3.421 -4.547 -8.089 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -1.310 -6.610 -7.260 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -3.061 -6.900 -7.384 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -1.922 -7.940 -8.271 1.00 0.00 H new ATOM 1185 N VAL A 91 -2.676 -5.863 -12.277 1.00 0.00 N ATOM 1186 CA VAL A 91 -2.688 -5.018 -13.471 1.00 0.00 C ATOM 1187 C VAL A 91 -4.120 -4.877 -13.926 1.00 0.00 C ATOM 1188 O VAL A 91 -4.523 -3.855 -14.439 1.00 0.00 O ATOM 1189 CB VAL A 91 -1.862 -5.709 -14.582 1.00 0.00 C ATOM 1190 CG1 VAL A 91 -1.203 -4.652 -15.486 1.00 0.00 C ATOM 1191 CG2 VAL A 91 -0.766 -6.568 -13.953 1.00 0.00 C ATOM 0 H VAL A 91 -2.095 -6.699 -12.332 1.00 0.00 H new ATOM 0 HA VAL A 91 -2.260 -4.039 -13.257 1.00 0.00 H new ATOM 0 HB VAL A 91 -2.531 -6.333 -15.175 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -0.624 -5.149 -16.264 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -1.975 -4.034 -15.946 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -0.543 -4.023 -14.889 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -0.187 -7.052 -14.739 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -0.108 -5.938 -13.354 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -1.220 -7.327 -13.316 1.00 0.00 H new ATOM 1201 N GLU A 92 -4.868 -5.925 -13.717 1.00 0.00 N ATOM 1202 CA GLU A 92 -6.287 -5.898 -14.117 1.00 0.00 C ATOM 1203 C GLU A 92 -7.033 -4.978 -13.179 1.00 0.00 C ATOM 1204 O GLU A 92 -7.841 -4.173 -13.597 1.00 0.00 O ATOM 1205 CB GLU A 92 -6.869 -7.315 -13.991 1.00 0.00 C ATOM 1206 CG GLU A 92 -8.398 -7.226 -13.973 1.00 0.00 C ATOM 1207 CD GLU A 92 -8.990 -8.558 -14.442 1.00 0.00 C ATOM 1208 OE1 GLU A 92 -8.787 -9.523 -13.724 1.00 0.00 O ATOM 1209 OE2 GLU A 92 -9.617 -8.533 -15.488 1.00 0.00 O ATOM 0 H GLU A 92 -4.551 -6.794 -13.287 1.00 0.00 H new ATOM 0 HA GLU A 92 -6.382 -5.548 -15.145 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -6.538 -7.934 -14.825 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -6.509 -7.790 -13.079 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -8.748 -6.994 -12.967 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -8.734 -6.417 -14.622 1.00 0.00 H new ATOM 1216 N LEU A 93 -6.749 -5.124 -11.911 1.00 0.00 N ATOM 1217 CA LEU A 93 -7.427 -4.261 -10.912 1.00 0.00 C ATOM 1218 C LEU A 93 -6.962 -2.824 -11.082 1.00 0.00 C ATOM 1219 O LEU A 93 -7.711 -1.970 -11.526 1.00 0.00 O ATOM 1220 CB LEU A 93 -7.029 -4.760 -9.500 1.00 0.00 C ATOM 1221 CG LEU A 93 -7.587 -3.813 -8.419 1.00 0.00 C ATOM 1222 CD1 LEU A 93 -8.388 -4.623 -7.409 1.00 0.00 C ATOM 1223 CD2 LEU A 93 -6.428 -3.129 -7.678 1.00 0.00 C ATOM 0 H LEU A 93 -6.083 -5.797 -11.531 1.00 0.00 H new ATOM 0 HA LEU A 93 -8.508 -4.305 -11.046 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -7.412 -5.768 -9.342 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -5.943 -4.815 -9.419 1.00 0.00 H new ATOM 0 HG LEU A 93 -8.219 -3.063 -8.895 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -8.785 -3.958 -6.642 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -9.212 -5.125 -7.916 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -7.741 -5.367 -6.944 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -6.828 -2.461 -6.915 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -5.801 -3.885 -7.206 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -5.831 -2.555 -8.387 1.00 0.00 H new ATOM 1235 N ILE A 94 -5.737 -2.586 -10.711 1.00 0.00 N ATOM 1236 CA ILE A 94 -5.177 -1.223 -10.831 1.00 0.00 C ATOM 1237 C ILE A 94 -5.623 -0.578 -12.139 1.00 0.00 C ATOM 1238 O ILE A 94 -5.891 0.601 -12.188 1.00 0.00 O ATOM 1239 CB ILE A 94 -3.622 -1.354 -10.782 1.00 0.00 C ATOM 1240 CG1 ILE A 94 -3.001 -0.384 -9.756 1.00 0.00 C ATOM 1241 CG2 ILE A 94 -2.994 -1.070 -12.172 1.00 0.00 C ATOM 1242 CD1 ILE A 94 -3.628 1.019 -9.858 1.00 0.00 C ATOM 0 H ILE A 94 -5.100 -3.284 -10.328 1.00 0.00 H new ATOM 0 HA ILE A 94 -5.531 -0.588 -10.019 1.00 0.00 H new ATOM 0 HB ILE A 94 -3.406 -2.379 -10.482 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -3.145 -0.776 -8.749 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -1.926 -0.317 -9.921 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -1.910 -1.168 -12.109 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -3.381 -1.784 -12.899 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -3.249 -0.058 -12.486 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -3.168 1.678 -9.121 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -3.461 1.420 -10.858 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -4.699 0.954 -9.667 1.00 0.00 H new ATOM 1254 N ASN A 95 -5.709 -1.368 -13.173 1.00 0.00 N ATOM 1255 CA ASN A 95 -6.139 -0.804 -14.470 1.00 0.00 C ATOM 1256 C ASN A 95 -7.521 -0.195 -14.338 1.00 0.00 C ATOM 1257 O ASN A 95 -7.744 0.958 -14.693 1.00 0.00 O ATOM 1258 CB ASN A 95 -6.196 -1.933 -15.506 1.00 0.00 C ATOM 1259 CG ASN A 95 -7.097 -1.501 -16.664 1.00 0.00 C ATOM 1260 OD1 ASN A 95 -6.674 -0.810 -17.570 1.00 0.00 O ATOM 1261 ND2 ASN A 95 -8.343 -1.885 -16.674 1.00 0.00 N ATOM 0 H ASN A 95 -5.502 -2.367 -13.172 1.00 0.00 H new ATOM 0 HA ASN A 95 -5.432 -0.035 -14.780 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -5.195 -2.159 -15.872 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -6.581 -2.844 -15.049 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -8.957 -1.605 -17.439 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -8.704 -2.465 -15.917 1.00 0.00 H new ATOM 1268 N HIS A 96 -8.427 -0.975 -13.812 1.00 0.00 N ATOM 1269 CA HIS A 96 -9.799 -0.472 -13.643 1.00 0.00 C ATOM 1270 C HIS A 96 -9.809 0.772 -12.766 1.00 0.00 C ATOM 1271 O HIS A 96 -10.760 1.528 -12.778 1.00 0.00 O ATOM 1272 CB HIS A 96 -10.633 -1.571 -12.968 1.00 0.00 C ATOM 1273 CG HIS A 96 -11.403 -2.347 -14.038 1.00 0.00 C ATOM 1274 ND1 HIS A 96 -11.011 -3.405 -14.578 1.00 0.00 N ATOM 1275 CD2 HIS A 96 -12.625 -2.070 -14.620 1.00 0.00 C ATOM 1276 CE1 HIS A 96 -11.846 -3.829 -15.433 1.00 0.00 C ATOM 1277 NE2 HIS A 96 -12.915 -3.038 -15.533 1.00 0.00 N ATOM 0 H HIS A 96 -8.267 -1.932 -13.497 1.00 0.00 H new ATOM 0 HA HIS A 96 -10.213 -0.212 -14.617 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -9.984 -2.245 -12.409 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -11.326 -1.130 -12.252 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -13.251 -1.221 -14.388 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -11.707 -4.729 -16.014 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -13.733 -3.133 -16.134 1.00 0.00 H new ATOM 1285 N TYR A 97 -8.740 0.965 -12.020 1.00 0.00 N ATOM 1286 CA TYR A 97 -8.672 2.159 -11.133 1.00 0.00 C ATOM 1287 C TYR A 97 -7.779 3.247 -11.716 1.00 0.00 C ATOM 1288 O TYR A 97 -7.900 4.402 -11.359 1.00 0.00 O ATOM 1289 CB TYR A 97 -8.108 1.727 -9.772 1.00 0.00 C ATOM 1290 CG TYR A 97 -9.259 1.213 -8.902 1.00 0.00 C ATOM 1291 CD1 TYR A 97 -10.304 2.047 -8.565 1.00 0.00 C ATOM 1292 CD2 TYR A 97 -9.284 -0.092 -8.474 1.00 0.00 C ATOM 1293 CE1 TYR A 97 -11.360 1.582 -7.816 1.00 0.00 C ATOM 1294 CE2 TYR A 97 -10.341 -0.561 -7.722 1.00 0.00 C ATOM 1295 CZ TYR A 97 -11.389 0.273 -7.388 1.00 0.00 C ATOM 1296 OH TYR A 97 -12.448 -0.196 -6.638 1.00 0.00 O ATOM 0 H TYR A 97 -7.926 0.351 -11.992 1.00 0.00 H new ATOM 0 HA TYR A 97 -9.677 2.568 -11.031 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -7.358 0.947 -9.905 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -7.613 2.567 -9.285 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -10.293 3.076 -8.892 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -8.470 -0.755 -8.728 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -12.172 2.248 -7.562 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -10.349 -1.589 -7.392 1.00 0.00 H new ATOM 0 HH TYR A 97 -12.304 -1.141 -6.424 1.00 0.00 H new ATOM 1306 N ARG A 98 -6.902 2.873 -12.599 1.00 0.00 N ATOM 1307 CA ARG A 98 -6.011 3.894 -13.196 1.00 0.00 C ATOM 1308 C ARG A 98 -6.828 4.865 -14.013 1.00 0.00 C ATOM 1309 O ARG A 98 -6.552 6.048 -14.044 1.00 0.00 O ATOM 1310 CB ARG A 98 -5.017 3.194 -14.122 1.00 0.00 C ATOM 1311 CG ARG A 98 -3.596 3.477 -13.641 1.00 0.00 C ATOM 1312 CD ARG A 98 -2.613 2.666 -14.484 1.00 0.00 C ATOM 1313 NE ARG A 98 -2.501 3.295 -15.828 1.00 0.00 N ATOM 1314 CZ ARG A 98 -2.418 2.537 -16.886 1.00 0.00 C ATOM 1315 NH1 ARG A 98 -1.310 1.885 -17.108 1.00 0.00 N ATOM 1316 NH2 ARG A 98 -3.447 2.453 -17.684 1.00 0.00 N ATOM 0 H ARG A 98 -6.765 1.918 -12.929 1.00 0.00 H new ATOM 0 HA ARG A 98 -5.487 4.430 -12.405 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -5.204 2.120 -14.130 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -5.144 3.547 -15.145 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -3.375 4.541 -13.725 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -3.496 3.213 -12.588 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -1.637 2.634 -14.000 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -2.956 1.636 -14.577 1.00 0.00 H new ATOM 0 HE ARG A 98 -2.489 4.311 -15.921 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -0.528 1.973 -16.459 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -1.226 1.287 -17.930 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -4.298 2.975 -17.476 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -3.400 1.865 -18.516 1.00 0.00 H new ATOM 1330 N ASN A 99 -7.827 4.346 -14.667 1.00 0.00 N ATOM 1331 CA ASN A 99 -8.681 5.225 -15.491 1.00 0.00 C ATOM 1332 C ASN A 99 -9.772 5.859 -14.641 1.00 0.00 C ATOM 1333 O ASN A 99 -10.338 6.872 -15.008 1.00 0.00 O ATOM 1334 CB ASN A 99 -9.337 4.373 -16.577 1.00 0.00 C ATOM 1335 CG ASN A 99 -8.870 4.850 -17.959 1.00 0.00 C ATOM 1336 OD1 ASN A 99 -8.681 6.028 -18.192 1.00 0.00 O ATOM 1337 ND2 ASN A 99 -8.672 3.967 -18.903 1.00 0.00 N ATOM 0 H ASN A 99 -8.084 3.359 -14.664 1.00 0.00 H new ATOM 0 HA ASN A 99 -8.071 6.016 -15.927 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -9.077 3.324 -16.436 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -10.422 4.445 -16.504 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -8.361 4.269 -19.826 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -8.828 2.977 -18.716 1.00 0.00 H new ATOM 1344 N GLU A 100 -10.045 5.246 -13.510 1.00 0.00 N ATOM 1345 CA GLU A 100 -11.101 5.790 -12.606 1.00 0.00 C ATOM 1346 C GLU A 100 -10.524 6.414 -11.329 1.00 0.00 C ATOM 1347 O GLU A 100 -9.774 7.367 -11.387 1.00 0.00 O ATOM 1348 CB GLU A 100 -12.026 4.638 -12.205 1.00 0.00 C ATOM 1349 CG GLU A 100 -12.624 4.022 -13.467 1.00 0.00 C ATOM 1350 CD GLU A 100 -13.978 3.393 -13.131 1.00 0.00 C ATOM 1351 OE1 GLU A 100 -14.853 4.157 -12.762 1.00 0.00 O ATOM 1352 OE2 GLU A 100 -14.059 2.181 -13.259 1.00 0.00 O ATOM 0 H GLU A 100 -9.583 4.399 -13.180 1.00 0.00 H new ATOM 0 HA GLU A 100 -11.631 6.575 -13.146 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -11.470 3.886 -11.645 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -12.819 5.001 -11.551 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -12.746 4.785 -14.236 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -11.950 3.267 -13.871 1.00 0.00 H new ATOM 1359 N SER A 101 -10.874 5.823 -10.202 1.00 0.00 N ATOM 1360 CA SER A 101 -10.388 6.331 -8.885 1.00 0.00 C ATOM 1361 C SER A 101 -10.774 5.343 -7.795 1.00 0.00 C ATOM 1362 O SER A 101 -11.757 4.640 -7.928 1.00 0.00 O ATOM 1363 CB SER A 101 -11.100 7.665 -8.576 1.00 0.00 C ATOM 1364 OG SER A 101 -10.771 8.513 -9.659 1.00 0.00 O ATOM 0 H SER A 101 -11.480 5.005 -10.146 1.00 0.00 H new ATOM 0 HA SER A 101 -9.306 6.461 -8.921 1.00 0.00 H new ATOM 0 HB2 SER A 101 -12.178 7.528 -8.495 1.00 0.00 H new ATOM 0 HB3 SER A 101 -10.760 8.084 -7.629 1.00 0.00 H new ATOM 0 HG SER A 101 -9.920 8.227 -10.051 1.00 0.00 H new ATOM 1370 N LEU A 102 -10.017 5.300 -6.736 1.00 0.00 N ATOM 1371 CA LEU A 102 -10.365 4.346 -5.651 1.00 0.00 C ATOM 1372 C LEU A 102 -11.263 4.985 -4.615 1.00 0.00 C ATOM 1373 O LEU A 102 -10.801 5.565 -3.655 1.00 0.00 O ATOM 1374 CB LEU A 102 -9.078 3.877 -4.979 1.00 0.00 C ATOM 1375 CG LEU A 102 -8.128 3.394 -6.066 1.00 0.00 C ATOM 1376 CD1 LEU A 102 -7.023 4.409 -6.231 1.00 0.00 C ATOM 1377 CD2 LEU A 102 -7.522 2.046 -5.673 1.00 0.00 C ATOM 0 H LEU A 102 -9.188 5.872 -6.576 1.00 0.00 H new ATOM 0 HA LEU A 102 -10.902 3.505 -6.090 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -8.626 4.691 -4.412 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -9.288 3.074 -4.272 1.00 0.00 H new ATOM 0 HG LEU A 102 -8.675 3.276 -7.001 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -6.335 4.075 -7.007 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -7.451 5.370 -6.515 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -6.484 4.516 -5.290 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -6.844 1.709 -6.457 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -6.971 2.153 -4.739 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -8.318 1.313 -5.543 1.00 0.00 H new ATOM 1534 N LYS A 112 -7.030 9.394 -6.667 1.00 0.00 N ATOM 1535 CA LYS A 112 -6.699 9.255 -8.112 1.00 0.00 C ATOM 1536 C LYS A 112 -5.204 9.027 -8.265 1.00 0.00 C ATOM 1537 O LYS A 112 -4.439 9.967 -8.370 1.00 0.00 O ATOM 1538 CB LYS A 112 -7.068 10.568 -8.825 1.00 0.00 C ATOM 1539 CG LYS A 112 -8.563 10.837 -8.659 1.00 0.00 C ATOM 1540 CD LYS A 112 -8.869 12.256 -9.145 1.00 0.00 C ATOM 1541 CE LYS A 112 -8.700 13.238 -7.981 1.00 0.00 C ATOM 1542 NZ LYS A 112 -8.286 14.578 -8.482 1.00 0.00 N ATOM 0 HA LYS A 112 -7.248 8.416 -8.540 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -6.491 11.394 -8.410 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -6.815 10.503 -9.883 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -9.142 10.110 -9.229 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -8.852 10.726 -7.614 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -8.200 12.525 -9.963 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -9.886 12.308 -9.535 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -9.637 13.323 -7.431 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -7.954 12.858 -7.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -8.176 15.230 -7.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -7.381 14.495 -8.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -9.012 14.946 -9.130 1.00 0.00 H new ATOM 1556 N LEU A 113 -4.812 7.784 -8.275 1.00 0.00 N ATOM 1557 CA LEU A 113 -3.368 7.477 -8.416 1.00 0.00 C ATOM 1558 C LEU A 113 -2.933 7.314 -9.890 1.00 0.00 C ATOM 1559 O LEU A 113 -2.527 6.274 -10.324 1.00 0.00 O ATOM 1560 CB LEU A 113 -3.064 6.200 -7.538 1.00 0.00 C ATOM 1561 CG LEU A 113 -3.206 4.826 -8.286 1.00 0.00 C ATOM 1562 CD1 LEU A 113 -3.371 3.734 -7.222 1.00 0.00 C ATOM 1563 CD2 LEU A 113 -4.432 4.763 -9.236 1.00 0.00 C ATOM 0 H LEU A 113 -5.427 6.974 -8.192 1.00 0.00 H new ATOM 0 HA LEU A 113 -2.774 8.317 -8.056 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -2.049 6.280 -7.148 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -3.736 6.200 -6.680 1.00 0.00 H new ATOM 0 HG LEU A 113 -2.316 4.691 -8.901 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -3.473 2.764 -7.709 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -2.496 3.724 -6.572 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -4.262 3.937 -6.628 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -4.468 3.787 -9.719 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -5.346 4.918 -8.662 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -4.344 5.540 -9.995 1.00 0.00 H new ATOM 1575 N LEU A 114 -3.030 8.395 -10.628 1.00 0.00 N ATOM 1576 CA LEU A 114 -2.636 8.352 -12.057 1.00 0.00 C ATOM 1577 C LEU A 114 -1.237 8.927 -12.229 1.00 0.00 C ATOM 1578 O LEU A 114 -0.907 9.480 -13.260 1.00 0.00 O ATOM 1579 CB LEU A 114 -3.617 9.223 -12.861 1.00 0.00 C ATOM 1580 CG LEU A 114 -4.977 8.520 -12.985 1.00 0.00 C ATOM 1581 CD1 LEU A 114 -5.875 8.916 -11.812 1.00 0.00 C ATOM 1582 CD2 LEU A 114 -5.635 8.973 -14.272 1.00 0.00 C ATOM 0 H LEU A 114 -3.365 9.299 -10.296 1.00 0.00 H new ATOM 0 HA LEU A 114 -2.653 7.319 -12.405 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -3.743 10.188 -12.371 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -3.210 9.420 -13.853 1.00 0.00 H new ATOM 0 HG LEU A 114 -4.832 7.440 -12.983 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -6.838 8.414 -11.906 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -5.402 8.621 -10.876 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -6.026 9.995 -11.818 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -6.603 8.484 -14.377 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -5.775 10.054 -14.248 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -5.001 8.708 -15.118 1.00 0.00 H new ATOM 1594 N TYR A 115 -0.443 8.780 -11.206 1.00 0.00 N ATOM 1595 CA TYR A 115 0.947 9.301 -11.259 1.00 0.00 C ATOM 1596 C TYR A 115 1.913 8.304 -10.620 1.00 0.00 C ATOM 1597 O TYR A 115 2.406 8.525 -9.533 1.00 0.00 O ATOM 1598 CB TYR A 115 1.002 10.602 -10.447 1.00 0.00 C ATOM 1599 CG TYR A 115 -0.147 11.515 -10.864 1.00 0.00 C ATOM 1600 CD1 TYR A 115 0.003 12.391 -11.918 1.00 0.00 C ATOM 1601 CD2 TYR A 115 -1.348 11.481 -10.187 1.00 0.00 C ATOM 1602 CE1 TYR A 115 -1.032 13.224 -12.291 1.00 0.00 C ATOM 1603 CE2 TYR A 115 -2.384 12.313 -10.560 1.00 0.00 C ATOM 1604 CZ TYR A 115 -2.234 13.191 -11.614 1.00 0.00 C ATOM 1605 OH TYR A 115 -3.270 14.022 -11.987 1.00 0.00 O ATOM 0 H TYR A 115 -0.700 8.319 -10.333 1.00 0.00 H new ATOM 0 HA TYR A 115 1.230 9.465 -12.299 1.00 0.00 H new ATOM 0 HB2 TYR A 115 0.936 10.381 -9.382 1.00 0.00 H new ATOM 0 HB3 TYR A 115 1.956 11.104 -10.609 1.00 0.00 H new ATOM 0 HD1 TYR A 115 0.939 12.426 -12.456 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -1.479 10.799 -9.360 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -0.900 13.906 -13.118 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -3.320 12.277 -10.022 1.00 0.00 H new ATOM 0 HH TYR A 115 -4.041 13.865 -11.403 1.00 0.00 H new ATOM 1615 N PRO A 116 2.163 7.215 -11.314 1.00 0.00 N ATOM 1616 CA PRO A 116 3.063 6.185 -10.818 1.00 0.00 C ATOM 1617 C PRO A 116 4.506 6.595 -10.985 1.00 0.00 C ATOM 1618 O PRO A 116 4.816 7.477 -11.763 1.00 0.00 O ATOM 1619 CB PRO A 116 2.786 4.977 -11.714 1.00 0.00 C ATOM 1620 CG PRO A 116 1.974 5.494 -12.944 1.00 0.00 C ATOM 1621 CD PRO A 116 1.568 6.940 -12.631 1.00 0.00 C ATOM 0 HA PRO A 116 2.903 5.991 -9.757 1.00 0.00 H new ATOM 0 HB2 PRO A 116 3.719 4.514 -12.035 1.00 0.00 H new ATOM 0 HB3 PRO A 116 2.223 4.217 -11.173 1.00 0.00 H new ATOM 0 HG2 PRO A 116 2.576 5.449 -13.851 1.00 0.00 H new ATOM 0 HG3 PRO A 116 1.094 4.874 -13.115 1.00 0.00 H new ATOM 0 HD2 PRO A 116 1.943 7.630 -13.387 1.00 0.00 H new ATOM 0 HD3 PRO A 116 0.484 7.051 -12.607 1.00 0.00 H new ATOM 1629 N VAL A 117 5.364 5.946 -10.250 1.00 0.00 N ATOM 1630 CA VAL A 117 6.802 6.269 -10.340 1.00 0.00 C ATOM 1631 C VAL A 117 7.588 4.999 -10.579 1.00 0.00 C ATOM 1632 O VAL A 117 7.252 3.964 -10.053 1.00 0.00 O ATOM 1633 CB VAL A 117 7.254 6.890 -9.010 1.00 0.00 C ATOM 1634 CG1 VAL A 117 6.945 8.389 -9.017 1.00 0.00 C ATOM 1635 CG2 VAL A 117 6.499 6.230 -7.863 1.00 0.00 C ATOM 0 H VAL A 117 5.125 5.205 -9.591 1.00 0.00 H new ATOM 0 HA VAL A 117 6.973 6.967 -11.160 1.00 0.00 H new ATOM 0 HB VAL A 117 8.326 6.737 -8.883 1.00 0.00 H new ATOM 0 HG11 VAL A 117 7.265 8.831 -8.074 1.00 0.00 H new ATOM 0 HG12 VAL A 117 7.477 8.866 -9.840 1.00 0.00 H new ATOM 0 HG13 VAL A 117 5.873 8.539 -9.142 1.00 0.00 H new ATOM 0 HG21 VAL A 117 6.818 6.669 -6.917 1.00 0.00 H new ATOM 0 HG22 VAL A 117 5.428 6.388 -7.994 1.00 0.00 H new ATOM 0 HG23 VAL A 117 6.710 5.161 -7.856 1.00 0.00 H new ATOM 1645 N SER A 118 8.606 5.083 -11.386 1.00 0.00 N ATOM 1646 CA SER A 118 9.411 3.871 -11.656 1.00 0.00 C ATOM 1647 C SER A 118 10.623 4.190 -12.500 1.00 0.00 C ATOM 1648 O SER A 118 11.025 5.330 -12.618 1.00 0.00 O ATOM 1649 CB SER A 118 8.558 2.865 -12.426 1.00 0.00 C ATOM 1650 OG SER A 118 9.133 1.607 -12.104 1.00 0.00 O ATOM 0 H SER A 118 8.910 5.931 -11.864 1.00 0.00 H new ATOM 0 HA SER A 118 9.738 3.467 -10.698 1.00 0.00 H new ATOM 0 HB2 SER A 118 7.512 2.915 -12.123 1.00 0.00 H new ATOM 0 HB3 SER A 118 8.589 3.055 -13.499 1.00 0.00 H new ATOM 0 HG SER A 118 8.421 0.947 -11.970 1.00 0.00 H new