USER MOD reduce.3.24.130724 H: found=0, std=0, add=567, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 464 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 45 HIS : no HD1:sc= -0.828 K(o=-0.5,f=-1.7) USER MOD Set 1.2: A 74 GLN : amide:sc= -0.85 K(o=-0.5,f=-2.3!) USER MOD Set 1.3: A 76 TYR OH : rot -159:sc= 1.18 USER MOD Set 2.1: A 47 SER OG : rot 180:sc= -0.478 USER MOD Set 2.2: A 48 HIS : no HE2:sc= -6.3! C(o=-6.8!,f=-7!) USER MOD Set 3.1: A 16 GLN : amide:sc=-0.00678 X(o=-0.0068,f=0) USER MOD Set 3.2: A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 ASN : amide:sc= 0.639 K(o=0.64,f=-0.57) USER MOD Single : A 20 SER OG : rot 17:sc= 0.0253 USER MOD Single : A 28 TYR OH : rot 180:sc= -1.18 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -11.3! C(o=-11!,f=-11!) USER MOD Single : A 40 HIS : no HE2:sc= -8.62! C(o=-8.6!,f=-11!) USER MOD Single : A 44 LYS NZ :NH3+ -159:sc= -1.89! (180deg=-2.83!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot -75:sc= 0.191 USER MOD Single : A 58 HIS : no HD1:sc= -2.8 K(o=-2.8,f=-5.9!) USER MOD Single : A 60 THR OG1 : rot -58:sc= 1.29 USER MOD Single : A 61 LYS NZ :NH3+ -134:sc= -1.29 (180deg=-3.62!) USER MOD Single : A 64 SER OG : rot 180:sc=-0.00722 USER MOD Single : A 70 THR OG1 : rot 3:sc= 0.271 USER MOD Single : A 75 GLN : amide:sc= -4.04! C(o=-4!,f=-13!) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 4 1.604 7.586 -12.306 1.00 0.00 N ATOM 2 CA PHE A 4 2.432 6.534 -11.652 1.00 0.00 C ATOM 3 C PHE A 4 2.522 6.740 -10.141 1.00 0.00 C ATOM 4 O PHE A 4 3.610 6.696 -9.564 1.00 0.00 O ATOM 5 CB PHE A 4 3.834 6.549 -12.268 1.00 0.00 C ATOM 6 CG PHE A 4 4.504 5.204 -12.274 1.00 0.00 C ATOM 7 CD1 PHE A 4 4.344 4.329 -11.211 1.00 0.00 C ATOM 8 CD2 PHE A 4 5.300 4.819 -13.340 1.00 0.00 C ATOM 9 CE1 PHE A 4 4.965 3.094 -11.215 1.00 0.00 C ATOM 10 CE2 PHE A 4 5.924 3.586 -13.348 1.00 0.00 C ATOM 11 CZ PHE A 4 5.756 2.723 -12.284 1.00 0.00 C ATOM 0 HA PHE A 4 1.956 5.568 -11.820 1.00 0.00 H new ATOM 0 HB2 PHE A 4 3.768 6.917 -13.292 1.00 0.00 H new ATOM 0 HB3 PHE A 4 4.457 7.253 -11.716 1.00 0.00 H new ATOM 0 HD1 PHE A 4 3.728 4.615 -10.371 1.00 0.00 H new ATOM 0 HD2 PHE A 4 5.435 5.490 -14.175 1.00 0.00 H new ATOM 0 HE1 PHE A 4 4.831 2.420 -10.382 1.00 0.00 H new ATOM 0 HE2 PHE A 4 6.542 3.298 -14.185 1.00 0.00 H new ATOM 0 HZ PHE A 4 6.243 1.759 -12.288 1.00 0.00 H new ATOM 21 N VAL A 5 1.375 6.937 -9.498 1.00 0.00 N ATOM 22 CA VAL A 5 1.337 7.114 -8.052 1.00 0.00 C ATOM 23 C VAL A 5 0.166 6.340 -7.456 1.00 0.00 C ATOM 24 O VAL A 5 0.344 5.262 -6.889 1.00 0.00 O ATOM 25 CB VAL A 5 1.266 8.608 -7.619 1.00 0.00 C ATOM 26 CG1 VAL A 5 0.602 9.479 -8.671 1.00 0.00 C ATOM 27 CG2 VAL A 5 0.561 8.769 -6.274 1.00 0.00 C ATOM 0 H VAL A 5 0.464 6.978 -9.954 1.00 0.00 H new ATOM 0 HA VAL A 5 2.277 6.720 -7.666 1.00 0.00 H new ATOM 0 HB VAL A 5 2.296 8.947 -7.510 1.00 0.00 H new ATOM 0 HG11 VAL A 5 0.575 10.512 -8.324 1.00 0.00 H new ATOM 0 HG12 VAL A 5 1.169 9.423 -9.600 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -0.415 9.128 -8.844 1.00 0.00 H new ATOM 0 HG21 VAL A 5 0.530 9.824 -6.004 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -0.456 8.383 -6.348 1.00 0.00 H new ATOM 0 HG23 VAL A 5 1.105 8.214 -5.509 1.00 0.00 H new ATOM 31 N ASN A 6 -1.029 6.902 -7.600 1.00 0.00 N ATOM 32 CA ASN A 6 -2.253 6.284 -7.091 1.00 0.00 C ATOM 33 C ASN A 6 -2.019 5.618 -5.727 1.00 0.00 C ATOM 34 O ASN A 6 -1.322 6.174 -4.878 1.00 0.00 O ATOM 35 CB ASN A 6 -2.784 5.274 -8.109 1.00 0.00 C ATOM 36 CG ASN A 6 -4.296 5.160 -8.077 1.00 0.00 C ATOM 37 OD1 ASN A 6 -5.008 6.159 -8.186 1.00 0.00 O ATOM 38 ND2 ASN A 6 -4.795 3.939 -7.925 1.00 0.00 N ATOM 0 H ASN A 6 -1.179 7.795 -8.070 1.00 0.00 H new ATOM 0 HA ASN A 6 -2.999 7.065 -6.945 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -2.466 5.569 -9.109 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -2.345 4.297 -7.910 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -5.805 3.801 -7.895 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -4.168 3.139 -7.839 1.00 0.00 H new ATOM 43 N GLU A 7 -2.601 4.435 -5.513 1.00 0.00 N ATOM 44 CA GLU A 7 -2.439 3.731 -4.246 1.00 0.00 C ATOM 45 C GLU A 7 -2.195 2.242 -4.469 1.00 0.00 C ATOM 46 O GLU A 7 -2.552 1.692 -5.510 1.00 0.00 O ATOM 47 CB GLU A 7 -3.679 3.928 -3.370 1.00 0.00 C ATOM 48 CG GLU A 7 -4.992 3.734 -4.112 1.00 0.00 C ATOM 49 CD GLU A 7 -5.622 2.382 -3.836 1.00 0.00 C ATOM 50 OE1 GLU A 7 -4.963 1.354 -4.096 1.00 0.00 O ATOM 51 OE2 GLU A 7 -6.776 2.352 -3.357 1.00 0.00 O ATOM 0 H GLU A 7 -3.183 3.951 -6.197 1.00 0.00 H new ATOM 0 HA GLU A 7 -1.569 4.148 -3.740 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -3.637 3.228 -2.535 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -3.657 4.932 -2.946 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -5.688 4.521 -3.823 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -4.819 3.839 -5.183 1.00 0.00 H new ATOM 58 N TRP A 8 -1.589 1.595 -3.478 1.00 0.00 N ATOM 59 CA TRP A 8 -1.304 0.168 -3.556 1.00 0.00 C ATOM 60 C TRP A 8 -2.474 -0.637 -3.005 1.00 0.00 C ATOM 61 O TRP A 8 -2.837 -0.485 -1.845 1.00 0.00 O ATOM 62 CB TRP A 8 -0.029 -0.170 -2.779 1.00 0.00 C ATOM 63 CG TRP A 8 0.089 -1.627 -2.450 1.00 0.00 C ATOM 64 CD1 TRP A 8 0.572 -2.612 -3.259 1.00 0.00 C ATOM 65 CD2 TRP A 8 -0.305 -2.262 -1.229 1.00 0.00 C ATOM 66 NE1 TRP A 8 0.506 -3.822 -2.616 1.00 0.00 N ATOM 67 CE2 TRP A 8 -0.025 -3.634 -1.365 1.00 0.00 C ATOM 68 CE3 TRP A 8 -0.860 -1.804 -0.032 1.00 0.00 C ATOM 69 CZ2 TRP A 8 -0.287 -4.551 -0.347 1.00 0.00 C ATOM 70 CZ3 TRP A 8 -1.118 -2.715 0.974 1.00 0.00 C ATOM 71 CH2 TRP A 8 -0.832 -4.075 0.811 1.00 0.00 C ATOM 0 H TRP A 8 -1.286 2.038 -2.611 1.00 0.00 H new ATOM 0 HA TRP A 8 -1.156 -0.093 -4.604 1.00 0.00 H new ATOM 0 HB2 TRP A 8 0.838 0.136 -3.364 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -0.010 0.408 -1.855 1.00 0.00 H new ATOM 0 HD1 TRP A 8 0.951 -2.462 -4.259 1.00 0.00 H new ATOM 0 HE1 TRP A 8 0.804 -4.717 -3.005 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -1.084 -0.756 0.105 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -0.066 -5.601 -0.470 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -1.548 -2.371 1.903 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -1.046 -4.761 1.617 1.00 0.00 H new ATOM 82 N ALA A 9 -3.058 -1.494 -3.836 1.00 0.00 N ATOM 83 CA ALA A 9 -4.186 -2.315 -3.410 1.00 0.00 C ATOM 84 C ALA A 9 -3.811 -3.790 -3.348 1.00 0.00 C ATOM 85 O ALA A 9 -3.171 -4.321 -4.258 1.00 0.00 O ATOM 86 CB ALA A 9 -5.373 -2.107 -4.333 1.00 0.00 C ATOM 0 H ALA A 9 -2.771 -1.638 -4.804 1.00 0.00 H new ATOM 0 HA ALA A 9 -4.464 -2.001 -2.404 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -6.205 -2.727 -4.001 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -5.671 -1.059 -4.312 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -5.096 -2.386 -5.350 1.00 0.00 H new ATOM 92 N ALA A 10 -4.204 -4.444 -2.260 1.00 0.00 N ATOM 93 CA ALA A 10 -3.901 -5.856 -2.072 1.00 0.00 C ATOM 94 C ALA A 10 -4.944 -6.557 -1.206 1.00 0.00 C ATOM 95 O ALA A 10 -5.656 -5.919 -0.431 1.00 0.00 O ATOM 96 CB ALA A 10 -2.529 -6.001 -1.446 1.00 0.00 C ATOM 0 H ALA A 10 -4.732 -4.019 -1.497 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.917 -6.333 -3.052 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -2.303 -7.058 -1.306 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -1.781 -5.554 -2.101 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -2.514 -5.496 -0.480 1.00 0.00 H new ATOM 102 N GLU A 11 -4.995 -7.881 -1.322 1.00 0.00 N ATOM 103 CA GLU A 11 -5.912 -8.698 -0.531 1.00 0.00 C ATOM 104 C GLU A 11 -5.129 -9.381 0.585 1.00 0.00 C ATOM 105 O GLU A 11 -4.273 -10.234 0.321 1.00 0.00 O ATOM 106 CB GLU A 11 -6.598 -9.745 -1.409 1.00 0.00 C ATOM 107 CG GLU A 11 -7.438 -9.145 -2.528 1.00 0.00 C ATOM 108 CD GLU A 11 -8.710 -8.489 -2.028 1.00 0.00 C ATOM 109 OE1 GLU A 11 -9.516 -9.180 -1.371 1.00 0.00 O ATOM 110 OE2 GLU A 11 -8.902 -7.286 -2.301 1.00 0.00 O ATOM 0 H GLU A 11 -4.407 -8.415 -1.962 1.00 0.00 H new ATOM 0 HA GLU A 11 -6.684 -8.059 -0.103 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -5.840 -10.396 -1.844 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -7.234 -10.371 -0.784 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -6.843 -8.407 -3.066 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -7.696 -9.928 -3.241 1.00 0.00 H new ATOM 117 N ILE A 12 -5.400 -8.985 1.825 1.00 0.00 N ATOM 118 CA ILE A 12 -4.696 -9.545 2.974 1.00 0.00 C ATOM 119 C ILE A 12 -5.680 -10.113 4.010 1.00 0.00 C ATOM 120 O ILE A 12 -6.588 -9.420 4.463 1.00 0.00 O ATOM 121 CB ILE A 12 -3.763 -8.490 3.630 1.00 0.00 C ATOM 122 CG1 ILE A 12 -3.587 -8.772 5.126 1.00 0.00 C ATOM 123 CG2 ILE A 12 -4.269 -7.070 3.393 1.00 0.00 C ATOM 124 CD1 ILE A 12 -4.639 -8.115 6.002 1.00 0.00 C ATOM 0 H ILE A 12 -6.100 -8.281 2.060 1.00 0.00 H new ATOM 0 HA ILE A 12 -4.078 -10.366 2.609 1.00 0.00 H new ATOM 0 HB ILE A 12 -2.786 -8.571 3.153 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -3.614 -9.849 5.289 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -2.601 -8.427 5.438 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -3.592 -6.359 3.866 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -4.312 -6.873 2.322 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -5.265 -6.962 3.822 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -4.448 -8.361 7.047 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -4.599 -7.034 5.870 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -5.627 -8.478 5.719 1.00 0.00 H new ATOM 128 N PRO A 13 -5.529 -11.402 4.373 1.00 0.00 N ATOM 129 CA PRO A 13 -6.420 -12.078 5.325 1.00 0.00 C ATOM 130 C PRO A 13 -6.204 -11.700 6.797 1.00 0.00 C ATOM 131 O PRO A 13 -7.173 -11.515 7.532 1.00 0.00 O ATOM 132 CB PRO A 13 -6.100 -13.570 5.128 1.00 0.00 C ATOM 133 CG PRO A 13 -5.208 -13.645 3.933 1.00 0.00 C ATOM 134 CD PRO A 13 -4.512 -12.321 3.854 1.00 0.00 C ATOM 0 HA PRO A 13 -7.453 -11.793 5.127 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -5.608 -13.983 6.009 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -7.011 -14.147 4.972 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -4.489 -14.458 4.033 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -5.784 -13.838 3.028 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -3.603 -12.303 4.455 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -4.224 -12.073 2.832 1.00 0.00 H new ATOM 142 N GLY A 14 -4.948 -11.633 7.244 1.00 0.00 N ATOM 143 CA GLY A 14 -4.693 -11.332 8.647 1.00 0.00 C ATOM 144 C GLY A 14 -3.676 -10.234 8.897 1.00 0.00 C ATOM 145 O GLY A 14 -3.493 -9.809 10.038 1.00 0.00 O ATOM 0 H GLY A 14 -4.116 -11.779 6.672 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -5.634 -11.048 9.118 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -4.351 -12.241 9.141 1.00 0.00 H new ATOM 149 N GLY A 15 -3.013 -9.767 7.851 1.00 0.00 N ATOM 150 CA GLY A 15 -2.024 -8.715 8.011 1.00 0.00 C ATOM 151 C GLY A 15 -2.651 -7.350 8.232 1.00 0.00 C ATOM 152 O GLY A 15 -2.094 -6.333 7.826 1.00 0.00 O ATOM 0 H GLY A 15 -3.140 -10.095 6.894 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -1.378 -8.955 8.856 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -1.390 -8.680 7.125 1.00 0.00 H new ATOM 156 N GLN A 16 -3.816 -7.328 8.877 1.00 0.00 N ATOM 157 CA GLN A 16 -4.522 -6.085 9.150 1.00 0.00 C ATOM 158 C GLN A 16 -3.749 -5.225 10.144 1.00 0.00 C ATOM 159 O GLN A 16 -3.311 -4.124 9.815 1.00 0.00 O ATOM 160 CB GLN A 16 -5.917 -6.391 9.696 1.00 0.00 C ATOM 161 CG GLN A 16 -6.801 -7.148 8.720 1.00 0.00 C ATOM 162 CD GLN A 16 -8.146 -7.514 9.315 1.00 0.00 C ATOM 163 OE1 GLN A 16 -8.228 -8.311 10.250 1.00 0.00 O ATOM 164 NE2 GLN A 16 -9.211 -6.931 8.777 1.00 0.00 N ATOM 0 H GLN A 16 -4.290 -8.163 9.220 1.00 0.00 H new ATOM 0 HA GLN A 16 -4.612 -5.528 8.217 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -5.819 -6.974 10.612 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -6.406 -5.455 9.965 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -6.956 -6.540 7.829 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -6.289 -8.056 8.401 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -9.098 -6.276 8.003 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -10.142 -7.138 9.138 1.00 0.00 H new ATOM 171 N GLU A 17 -3.578 -5.738 11.360 1.00 0.00 N ATOM 172 CA GLU A 17 -2.848 -5.015 12.396 1.00 0.00 C ATOM 173 C GLU A 17 -1.480 -4.586 11.879 1.00 0.00 C ATOM 174 O GLU A 17 -0.959 -3.536 12.255 1.00 0.00 O ATOM 175 CB GLU A 17 -2.688 -5.886 13.643 1.00 0.00 C ATOM 176 CG GLU A 17 -3.979 -6.554 14.089 1.00 0.00 C ATOM 177 CD GLU A 17 -4.289 -6.306 15.552 1.00 0.00 C ATOM 178 OE1 GLU A 17 -3.649 -6.947 16.412 1.00 0.00 O ATOM 179 OE2 GLU A 17 -5.173 -5.471 15.838 1.00 0.00 O ATOM 0 H GLU A 17 -3.934 -6.649 11.651 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.418 -4.125 12.662 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.941 -6.654 13.446 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -2.306 -5.272 14.458 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -4.804 -6.185 13.479 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -3.908 -7.627 13.913 1.00 0.00 H new ATOM 186 N ALA A 18 -0.913 -5.408 11.002 1.00 0.00 N ATOM 187 CA ALA A 18 0.387 -5.123 10.414 1.00 0.00 C ATOM 188 C ALA A 18 0.254 -4.133 9.264 1.00 0.00 C ATOM 189 O ALA A 18 1.130 -3.297 9.049 1.00 0.00 O ATOM 190 CB ALA A 18 1.041 -6.409 9.932 1.00 0.00 C ATOM 0 H ALA A 18 -1.337 -6.279 10.683 1.00 0.00 H new ATOM 0 HA ALA A 18 1.019 -4.674 11.180 1.00 0.00 H new ATOM 0 HB1 ALA A 18 2.013 -6.181 9.494 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.173 -7.088 10.774 1.00 0.00 H new ATOM 0 HB3 ALA A 18 0.407 -6.881 9.181 1.00 0.00 H new ATOM 196 N ALA A 19 -0.858 -4.230 8.537 1.00 0.00 N ATOM 197 CA ALA A 19 -1.126 -3.346 7.408 1.00 0.00 C ATOM 198 C ALA A 19 -1.026 -1.889 7.835 1.00 0.00 C ATOM 199 O ALA A 19 -0.356 -1.078 7.189 1.00 0.00 O ATOM 200 CB ALA A 19 -2.501 -3.645 6.828 1.00 0.00 C ATOM 0 H ALA A 19 -1.591 -4.917 8.713 1.00 0.00 H new ATOM 0 HA ALA A 19 -0.377 -3.524 6.636 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.693 -2.980 5.986 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.535 -4.680 6.489 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -3.261 -3.489 7.594 1.00 0.00 H new ATOM 206 N SER A 20 -1.682 -1.571 8.941 1.00 0.00 N ATOM 207 CA SER A 20 -1.660 -0.222 9.477 1.00 0.00 C ATOM 208 C SER A 20 -0.271 0.105 10.007 1.00 0.00 C ATOM 209 O SER A 20 0.152 1.263 10.013 1.00 0.00 O ATOM 210 CB SER A 20 -2.696 -0.072 10.592 1.00 0.00 C ATOM 211 OG SER A 20 -2.622 -1.152 11.506 1.00 0.00 O ATOM 0 H SER A 20 -2.237 -2.232 9.485 1.00 0.00 H new ATOM 0 HA SER A 20 -1.909 0.475 8.677 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.533 0.867 11.120 1.00 0.00 H new ATOM 0 HB3 SER A 20 -3.696 -0.025 10.160 1.00 0.00 H new ATOM 0 HG SER A 20 -1.764 -1.613 11.399 1.00 0.00 H new ATOM 217 N ALA A 21 0.435 -0.929 10.452 1.00 0.00 N ATOM 218 CA ALA A 21 1.775 -0.768 10.985 1.00 0.00 C ATOM 219 C ALA A 21 2.774 -0.447 9.880 1.00 0.00 C ATOM 220 O ALA A 21 3.789 0.206 10.123 1.00 0.00 O ATOM 221 CB ALA A 21 2.198 -2.022 11.735 1.00 0.00 C ATOM 0 H ALA A 21 0.096 -1.891 10.452 1.00 0.00 H new ATOM 0 HA ALA A 21 1.763 0.072 11.680 1.00 0.00 H new ATOM 0 HB1 ALA A 21 3.205 -1.888 12.130 1.00 0.00 H new ATOM 0 HB2 ALA A 21 1.507 -2.204 12.558 1.00 0.00 H new ATOM 0 HB3 ALA A 21 2.185 -2.874 11.055 1.00 0.00 H new ATOM 227 N ILE A 22 2.481 -0.902 8.665 1.00 0.00 N ATOM 228 CA ILE A 22 3.353 -0.655 7.529 1.00 0.00 C ATOM 229 C ILE A 22 3.413 0.829 7.221 1.00 0.00 C ATOM 230 O ILE A 22 4.480 1.440 7.239 1.00 0.00 O ATOM 231 CB ILE A 22 2.868 -1.395 6.270 1.00 0.00 C ATOM 232 CG1 ILE A 22 2.293 -2.770 6.633 1.00 0.00 C ATOM 233 CG2 ILE A 22 4.007 -1.524 5.278 1.00 0.00 C ATOM 234 CD1 ILE A 22 2.148 -3.712 5.455 1.00 0.00 C ATOM 0 H ILE A 22 1.645 -1.444 8.445 1.00 0.00 H new ATOM 0 HA ILE A 22 4.342 -1.025 7.800 1.00 0.00 H new ATOM 0 HB ILE A 22 2.069 -0.816 5.807 1.00 0.00 H new ATOM 0 HG12 ILE A 22 2.937 -3.235 7.379 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.316 -2.632 7.096 1.00 0.00 H new ATOM 0 HG21 ILE A 22 3.657 -2.049 4.389 1.00 0.00 H new ATOM 0 HG22 ILE A 22 4.360 -0.531 4.998 1.00 0.00 H new ATOM 0 HG23 ILE A 22 4.824 -2.085 5.733 1.00 0.00 H new ATOM 0 HD11 ILE A 22 1.735 -4.661 5.797 1.00 0.00 H new ATOM 0 HD12 ILE A 22 1.479 -3.270 4.716 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.125 -3.883 5.003 1.00 0.00 H new ATOM 238 N ALA A 23 2.248 1.404 6.944 1.00 0.00 N ATOM 239 CA ALA A 23 2.150 2.826 6.636 1.00 0.00 C ATOM 240 C ALA A 23 2.931 3.650 7.651 1.00 0.00 C ATOM 241 O ALA A 23 3.553 4.656 7.311 1.00 0.00 O ATOM 242 CB ALA A 23 0.691 3.256 6.609 1.00 0.00 C ATOM 0 H ALA A 23 1.358 0.907 6.926 1.00 0.00 H new ATOM 0 HA ALA A 23 2.584 2.999 5.651 1.00 0.00 H new ATOM 0 HB1 ALA A 23 0.629 4.319 6.378 1.00 0.00 H new ATOM 0 HB2 ALA A 23 0.158 2.688 5.847 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.239 3.069 7.583 1.00 0.00 H new ATOM 248 N GLU A 24 2.891 3.205 8.899 1.00 0.00 N ATOM 249 CA GLU A 24 3.591 3.883 9.980 1.00 0.00 C ATOM 250 C GLU A 24 5.074 3.520 9.993 1.00 0.00 C ATOM 251 O GLU A 24 5.916 4.326 10.388 1.00 0.00 O ATOM 252 CB GLU A 24 2.960 3.520 11.324 1.00 0.00 C ATOM 253 CG GLU A 24 1.464 3.777 11.385 1.00 0.00 C ATOM 254 CD GLU A 24 0.833 3.248 12.659 1.00 0.00 C ATOM 255 OE1 GLU A 24 1.069 3.847 13.729 1.00 0.00 O ATOM 256 OE2 GLU A 24 0.106 2.235 12.586 1.00 0.00 O ATOM 0 H GLU A 24 2.378 2.372 9.189 1.00 0.00 H new ATOM 0 HA GLU A 24 3.503 4.957 9.814 1.00 0.00 H new ATOM 0 HB2 GLU A 24 3.147 2.466 11.531 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.450 4.092 12.112 1.00 0.00 H new ATOM 0 HG2 GLU A 24 1.280 4.849 11.311 1.00 0.00 H new ATOM 0 HG3 GLU A 24 0.984 3.310 10.525 1.00 0.00 H new ATOM 263 N GLU A 25 5.381 2.297 9.573 1.00 0.00 N ATOM 264 CA GLU A 25 6.760 1.816 9.552 1.00 0.00 C ATOM 265 C GLU A 25 7.582 2.502 8.464 1.00 0.00 C ATOM 266 O GLU A 25 8.758 2.806 8.666 1.00 0.00 O ATOM 267 CB GLU A 25 6.793 0.301 9.346 1.00 0.00 C ATOM 268 CG GLU A 25 8.033 -0.363 9.923 1.00 0.00 C ATOM 269 CD GLU A 25 7.924 -0.602 11.417 1.00 0.00 C ATOM 270 OE1 GLU A 25 6.976 -1.295 11.839 1.00 0.00 O ATOM 271 OE2 GLU A 25 8.788 -0.095 12.164 1.00 0.00 O ATOM 0 H GLU A 25 4.694 1.620 9.242 1.00 0.00 H new ATOM 0 HA GLU A 25 7.205 2.061 10.516 1.00 0.00 H new ATOM 0 HB2 GLU A 25 5.908 -0.139 9.805 1.00 0.00 H new ATOM 0 HB3 GLU A 25 6.739 0.086 8.279 1.00 0.00 H new ATOM 0 HG2 GLU A 25 8.200 -1.314 9.418 1.00 0.00 H new ATOM 0 HG3 GLU A 25 8.903 0.262 9.721 1.00 0.00 H new ATOM 278 N LEU A 26 6.965 2.744 7.311 1.00 0.00 N ATOM 279 CA LEU A 26 7.657 3.392 6.203 1.00 0.00 C ATOM 280 C LEU A 26 7.259 4.858 6.114 1.00 0.00 C ATOM 281 O LEU A 26 8.107 5.750 6.123 1.00 0.00 O ATOM 282 CB LEU A 26 7.352 2.689 4.870 1.00 0.00 C ATOM 283 CG LEU A 26 6.303 1.571 4.915 1.00 0.00 C ATOM 284 CD1 LEU A 26 4.946 2.099 4.482 1.00 0.00 C ATOM 285 CD2 LEU A 26 6.728 0.412 4.031 1.00 0.00 C ATOM 0 H LEU A 26 5.992 2.502 7.121 1.00 0.00 H new ATOM 0 HA LEU A 26 8.728 3.321 6.393 1.00 0.00 H new ATOM 0 HB2 LEU A 26 7.019 3.441 4.155 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.281 2.271 4.484 1.00 0.00 H new ATOM 0 HG LEU A 26 6.222 1.213 5.941 1.00 0.00 H new ATOM 0 HD11 LEU A 26 4.213 1.293 4.520 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.637 2.902 5.152 1.00 0.00 H new ATOM 0 HD13 LEU A 26 5.013 2.482 3.464 1.00 0.00 H new ATOM 0 HD21 LEU A 26 5.974 -0.374 4.073 1.00 0.00 H new ATOM 0 HD22 LEU A 26 6.834 0.758 3.003 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.682 0.018 4.381 1.00 0.00 H new ATOM 291 N GLY A 27 5.959 5.088 6.024 1.00 0.00 N ATOM 292 CA GLY A 27 5.444 6.443 5.930 1.00 0.00 C ATOM 293 C GLY A 27 4.381 6.578 4.859 1.00 0.00 C ATOM 294 O GLY A 27 4.532 7.354 3.917 1.00 0.00 O ATOM 0 H GLY A 27 5.246 4.359 6.014 1.00 0.00 H new ATOM 0 HA2 GLY A 27 5.027 6.739 6.893 1.00 0.00 H new ATOM 0 HA3 GLY A 27 6.264 7.127 5.714 1.00 0.00 H new ATOM 298 N TYR A 28 3.307 5.810 5.002 1.00 0.00 N ATOM 299 CA TYR A 28 2.214 5.832 4.038 1.00 0.00 C ATOM 300 C TYR A 28 0.863 5.886 4.740 1.00 0.00 C ATOM 301 O TYR A 28 0.786 5.911 5.968 1.00 0.00 O ATOM 302 CB TYR A 28 2.266 4.585 3.156 1.00 0.00 C ATOM 303 CG TYR A 28 3.277 4.661 2.039 1.00 0.00 C ATOM 304 CD1 TYR A 28 4.637 4.731 2.311 1.00 0.00 C ATOM 305 CD2 TYR A 28 2.870 4.656 0.711 1.00 0.00 C ATOM 306 CE1 TYR A 28 5.567 4.793 1.291 1.00 0.00 C ATOM 307 CE2 TYR A 28 3.793 4.718 -0.315 1.00 0.00 C ATOM 308 CZ TYR A 28 5.140 4.786 -0.021 1.00 0.00 C ATOM 309 OH TYR A 28 6.062 4.847 -1.041 1.00 0.00 O ATOM 0 H TYR A 28 3.170 5.163 5.778 1.00 0.00 H new ATOM 0 HA TYR A 28 2.330 6.726 3.425 1.00 0.00 H new ATOM 0 HB2 TYR A 28 2.495 3.721 3.780 1.00 0.00 H new ATOM 0 HB3 TYR A 28 1.279 4.416 2.727 1.00 0.00 H new ATOM 0 HD1 TYR A 28 4.973 4.737 3.337 1.00 0.00 H new ATOM 0 HD2 TYR A 28 1.817 4.603 0.477 1.00 0.00 H new ATOM 0 HE1 TYR A 28 6.621 4.847 1.519 1.00 0.00 H new ATOM 0 HE2 TYR A 28 3.462 4.713 -1.343 1.00 0.00 H new ATOM 0 HH TYR A 28 5.597 4.831 -1.904 1.00 0.00 H new ATOM 319 N ASP A 29 -0.198 5.877 3.944 1.00 0.00 N ATOM 320 CA ASP A 29 -1.555 5.896 4.471 1.00 0.00 C ATOM 321 C ASP A 29 -2.266 4.605 4.087 1.00 0.00 C ATOM 322 O ASP A 29 -2.825 4.494 2.998 1.00 0.00 O ATOM 323 CB ASP A 29 -2.325 7.104 3.936 1.00 0.00 C ATOM 324 CG ASP A 29 -1.961 8.386 4.660 1.00 0.00 C ATOM 325 OD1 ASP A 29 -0.869 8.929 4.392 1.00 0.00 O ATOM 326 OD2 ASP A 29 -2.769 8.848 5.493 1.00 0.00 O ATOM 0 H ASP A 29 -0.144 5.857 2.926 1.00 0.00 H new ATOM 0 HA ASP A 29 -1.512 5.976 5.557 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -2.120 7.220 2.872 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -3.395 6.924 4.037 1.00 0.00 H new ATOM 331 N LEU A 30 -2.222 3.624 4.980 1.00 0.00 N ATOM 332 CA LEU A 30 -2.844 2.333 4.724 1.00 0.00 C ATOM 333 C LEU A 30 -4.295 2.324 5.174 1.00 0.00 C ATOM 334 O LEU A 30 -4.584 2.495 6.356 1.00 0.00 O ATOM 335 CB LEU A 30 -2.072 1.225 5.446 1.00 0.00 C ATOM 336 CG LEU A 30 -2.787 -0.129 5.539 1.00 0.00 C ATOM 337 CD1 LEU A 30 -3.614 -0.217 6.810 1.00 0.00 C ATOM 338 CD2 LEU A 30 -3.649 -0.380 4.307 1.00 0.00 C ATOM 0 H LEU A 30 -1.762 3.699 5.887 1.00 0.00 H new ATOM 0 HA LEU A 30 -2.817 2.154 3.649 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.120 1.079 4.936 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.843 1.565 6.456 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.026 -0.909 5.577 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -4.112 -1.186 6.854 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -2.962 -0.104 7.677 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -4.362 0.576 6.813 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -4.144 -1.347 4.400 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -4.400 0.405 4.222 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.020 -0.378 3.417 1.00 0.00 H new ATOM 344 N LEU A 31 -5.204 2.107 4.224 1.00 0.00 N ATOM 345 CA LEU A 31 -6.614 2.068 4.521 1.00 0.00 C ATOM 346 C LEU A 31 -7.362 1.168 3.563 1.00 0.00 C ATOM 347 O LEU A 31 -7.616 1.521 2.417 1.00 0.00 O ATOM 348 CB LEU A 31 -7.215 3.470 4.478 1.00 0.00 C ATOM 349 CG LEU A 31 -6.329 4.554 5.076 1.00 0.00 C ATOM 350 CD1 LEU A 31 -6.818 5.938 4.687 1.00 0.00 C ATOM 351 CD2 LEU A 31 -6.284 4.385 6.580 1.00 0.00 C ATOM 0 H LEU A 31 -4.976 1.956 3.241 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.718 1.661 5.527 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -7.433 3.727 3.441 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -8.166 3.461 5.010 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.319 4.453 4.678 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -6.166 6.692 5.128 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.804 6.037 3.602 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -7.835 6.080 5.051 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.651 5.159 7.014 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -7.292 4.471 6.986 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.877 3.404 6.824 1.00 0.00 H new ATOM 357 N GLY A 32 -7.719 0.010 4.059 1.00 0.00 N ATOM 358 CA GLY A 32 -8.461 -0.945 3.257 1.00 0.00 C ATOM 359 C GLY A 32 -9.368 -1.833 4.088 1.00 0.00 C ATOM 360 O GLY A 32 -8.901 -2.750 4.763 1.00 0.00 O ATOM 0 H GLY A 32 -7.512 -0.298 5.009 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -9.061 -0.407 2.523 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -7.760 -1.568 2.702 1.00 0.00 H new ATOM 364 N GLN A 33 -10.668 -1.561 4.038 1.00 0.00 N ATOM 365 CA GLN A 33 -11.641 -2.345 4.791 1.00 0.00 C ATOM 366 C GLN A 33 -12.996 -2.362 4.086 1.00 0.00 C ATOM 367 O GLN A 33 -13.990 -1.870 4.620 1.00 0.00 O ATOM 368 CB GLN A 33 -11.790 -1.786 6.208 1.00 0.00 C ATOM 369 CG GLN A 33 -10.989 -2.549 7.251 1.00 0.00 C ATOM 370 CD GLN A 33 -11.719 -3.775 7.762 1.00 0.00 C ATOM 371 OE1 GLN A 33 -11.530 -4.880 7.253 1.00 0.00 O ATOM 372 NE2 GLN A 33 -12.560 -3.587 8.771 1.00 0.00 N ATOM 0 H GLN A 33 -11.072 -0.805 3.485 1.00 0.00 H new ATOM 0 HA GLN A 33 -11.276 -3.370 4.851 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -11.476 -0.742 6.213 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -12.843 -1.803 6.487 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -10.034 -2.852 6.821 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -10.766 -1.888 8.088 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -12.686 -2.654 9.163 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -13.080 -4.376 9.155 1.00 0.00 H new ATOM 379 N ILE A 34 -13.032 -2.929 2.882 1.00 0.00 N ATOM 380 CA ILE A 34 -14.277 -3.002 2.115 1.00 0.00 C ATOM 381 C ILE A 34 -15.378 -3.672 2.922 1.00 0.00 C ATOM 382 O ILE A 34 -16.548 -3.304 2.828 1.00 0.00 O ATOM 383 CB ILE A 34 -14.119 -3.741 0.758 1.00 0.00 C ATOM 384 CG1 ILE A 34 -12.818 -4.550 0.690 1.00 0.00 C ATOM 385 CG2 ILE A 34 -14.173 -2.745 -0.390 1.00 0.00 C ATOM 386 CD1 ILE A 34 -12.671 -5.578 1.792 1.00 0.00 C ATOM 0 H ILE A 34 -12.222 -3.341 2.418 1.00 0.00 H new ATOM 0 HA ILE A 34 -14.549 -1.969 1.899 1.00 0.00 H new ATOM 0 HB ILE A 34 -14.948 -4.444 0.671 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -12.768 -5.057 -0.274 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -11.973 -3.863 0.734 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -14.061 -3.274 -1.336 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -15.131 -2.225 -0.376 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -13.366 -2.021 -0.282 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -11.725 -6.107 1.672 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -12.687 -5.078 2.760 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -13.494 -6.290 1.737 1.00 0.00 H new ATOM 390 N GLY A 35 -14.988 -4.647 3.721 1.00 0.00 N ATOM 391 CA GLY A 35 -15.944 -5.356 4.552 1.00 0.00 C ATOM 392 C GLY A 35 -16.596 -6.523 3.837 1.00 0.00 C ATOM 393 O GLY A 35 -16.607 -7.641 4.352 1.00 0.00 O ATOM 0 H GLY A 35 -14.023 -4.965 3.813 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -15.440 -5.721 5.447 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -16.716 -4.661 4.882 1.00 0.00 H new ATOM 397 N SER A 36 -17.141 -6.264 2.649 1.00 0.00 N ATOM 398 CA SER A 36 -17.801 -7.304 1.859 1.00 0.00 C ATOM 399 C SER A 36 -16.983 -8.592 1.867 1.00 0.00 C ATOM 400 O SER A 36 -17.529 -9.690 1.975 1.00 0.00 O ATOM 401 CB SER A 36 -18.003 -6.825 0.420 1.00 0.00 C ATOM 402 OG SER A 36 -19.176 -6.037 0.305 1.00 0.00 O ATOM 0 H SER A 36 -17.139 -5.342 2.212 1.00 0.00 H new ATOM 0 HA SER A 36 -18.773 -7.508 2.308 1.00 0.00 H new ATOM 0 HB2 SER A 36 -17.138 -6.243 0.102 1.00 0.00 H new ATOM 0 HB3 SER A 36 -18.072 -7.685 -0.247 1.00 0.00 H new ATOM 0 HG SER A 36 -19.282 -5.742 -0.623 1.00 0.00 H new ATOM 408 N LEU A 37 -15.670 -8.439 1.761 1.00 0.00 N ATOM 409 CA LEU A 37 -14.756 -9.573 1.763 1.00 0.00 C ATOM 410 C LEU A 37 -13.782 -9.476 2.934 1.00 0.00 C ATOM 411 O LEU A 37 -13.172 -10.467 3.335 1.00 0.00 O ATOM 412 CB LEU A 37 -13.992 -9.615 0.449 1.00 0.00 C ATOM 413 CG LEU A 37 -13.146 -8.377 0.198 1.00 0.00 C ATOM 414 CD1 LEU A 37 -11.830 -8.493 0.930 1.00 0.00 C ATOM 415 CD2 LEU A 37 -12.918 -8.172 -1.282 1.00 0.00 C ATOM 0 H LEU A 37 -15.211 -7.532 1.672 1.00 0.00 H new ATOM 0 HA LEU A 37 -15.334 -10.490 1.874 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -13.347 -10.494 0.441 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -14.701 -9.733 -0.370 1.00 0.00 H new ATOM 0 HG LEU A 37 -13.682 -7.507 0.577 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -11.231 -7.602 0.744 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -12.016 -8.589 2.000 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -11.292 -9.372 0.575 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -12.310 -7.280 -1.436 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -12.402 -9.039 -1.694 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -13.877 -8.049 -1.784 1.00 0.00 H new ATOM 421 N GLU A 38 -13.664 -8.273 3.486 1.00 0.00 N ATOM 422 CA GLU A 38 -12.800 -8.000 4.628 1.00 0.00 C ATOM 423 C GLU A 38 -11.454 -8.715 4.548 1.00 0.00 C ATOM 424 O GLU A 38 -11.340 -9.889 4.897 1.00 0.00 O ATOM 425 CB GLU A 38 -13.519 -8.391 5.905 1.00 0.00 C ATOM 426 CG GLU A 38 -14.181 -9.751 5.816 1.00 0.00 C ATOM 427 CD GLU A 38 -14.785 -10.200 7.131 1.00 0.00 C ATOM 428 OE1 GLU A 38 -15.009 -9.338 8.006 1.00 0.00 O ATOM 429 OE2 GLU A 38 -15.033 -11.415 7.286 1.00 0.00 O ATOM 0 H GLU A 38 -14.170 -7.453 3.150 1.00 0.00 H new ATOM 0 HA GLU A 38 -12.584 -6.932 4.621 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -12.808 -8.392 6.731 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -14.274 -7.639 6.136 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -14.961 -9.721 5.055 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -13.446 -10.487 5.490 1.00 0.00 H new ATOM 436 N ASN A 39 -10.438 -7.975 4.109 1.00 0.00 N ATOM 437 CA ASN A 39 -9.072 -8.491 3.992 1.00 0.00 C ATOM 438 C ASN A 39 -8.225 -7.543 3.147 1.00 0.00 C ATOM 439 O ASN A 39 -7.041 -7.346 3.402 1.00 0.00 O ATOM 440 CB ASN A 39 -9.064 -9.928 3.423 1.00 0.00 C ATOM 441 CG ASN A 39 -8.334 -10.055 2.101 1.00 0.00 C ATOM 442 OD1 ASN A 39 -7.331 -10.758 1.991 1.00 0.00 O ATOM 443 ND2 ASN A 39 -8.848 -9.378 1.089 1.00 0.00 N ATOM 0 H ASN A 39 -10.536 -7.001 3.824 1.00 0.00 H new ATOM 0 HA ASN A 39 -8.631 -8.542 4.988 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -8.600 -10.595 4.150 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -10.093 -10.264 3.294 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -8.411 -9.426 0.169 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -9.682 -8.808 1.228 1.00 0.00 H new ATOM 448 N HIS A 40 -8.858 -6.956 2.153 1.00 0.00 N ATOM 449 CA HIS A 40 -8.206 -6.012 1.260 1.00 0.00 C ATOM 450 C HIS A 40 -7.717 -4.795 2.033 1.00 0.00 C ATOM 451 O HIS A 40 -8.412 -4.279 2.907 1.00 0.00 O ATOM 452 CB HIS A 40 -9.170 -5.575 0.156 1.00 0.00 C ATOM 453 CG HIS A 40 -8.556 -4.643 -0.843 1.00 0.00 C ATOM 454 ND1 HIS A 40 -7.670 -5.057 -1.814 1.00 0.00 N ATOM 455 CD2 HIS A 40 -8.710 -3.310 -1.020 1.00 0.00 C ATOM 456 CE1 HIS A 40 -7.303 -4.019 -2.544 1.00 0.00 C ATOM 457 NE2 HIS A 40 -7.921 -2.948 -2.083 1.00 0.00 N ATOM 0 H HIS A 40 -9.842 -7.118 1.938 1.00 0.00 H new ATOM 0 HA HIS A 40 -7.347 -6.506 0.806 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -9.539 -6.459 -0.364 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -10.033 -5.089 0.611 1.00 0.00 H new ATOM 0 HD1 HIS A 40 -7.348 -6.015 -1.948 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -9.337 -2.654 -0.434 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -6.615 -4.043 -3.376 1.00 0.00 H new ATOM 466 N TYR A 41 -6.518 -4.348 1.701 1.00 0.00 N ATOM 467 CA TYR A 41 -5.913 -3.195 2.353 1.00 0.00 C ATOM 468 C TYR A 41 -5.077 -2.422 1.340 1.00 0.00 C ATOM 469 O TYR A 41 -4.302 -3.024 0.597 1.00 0.00 O ATOM 470 CB TYR A 41 -5.050 -3.664 3.526 1.00 0.00 C ATOM 471 CG TYR A 41 -5.790 -3.708 4.847 1.00 0.00 C ATOM 472 CD1 TYR A 41 -6.781 -4.655 5.084 1.00 0.00 C ATOM 473 CD2 TYR A 41 -5.498 -2.801 5.857 1.00 0.00 C ATOM 474 CE1 TYR A 41 -7.459 -4.692 6.288 1.00 0.00 C ATOM 475 CE2 TYR A 41 -6.171 -2.833 7.064 1.00 0.00 C ATOM 476 CZ TYR A 41 -7.150 -3.781 7.274 1.00 0.00 C ATOM 477 OH TYR A 41 -7.822 -3.816 8.475 1.00 0.00 O ATOM 0 H TYR A 41 -5.938 -4.770 0.976 1.00 0.00 H new ATOM 0 HA TYR A 41 -6.691 -2.536 2.739 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -4.661 -4.658 3.305 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -4.191 -2.999 3.623 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -7.025 -5.373 4.315 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -4.731 -2.057 5.697 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -8.228 -5.432 6.455 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -5.931 -2.119 7.838 1.00 0.00 H new ATOM 0 HH TYR A 41 -7.483 -3.107 9.060 1.00 0.00 H new ATOM 487 N LEU A 42 -5.227 -1.094 1.286 1.00 0.00 N ATOM 488 CA LEU A 42 -4.451 -0.320 0.319 1.00 0.00 C ATOM 489 C LEU A 42 -3.811 0.911 0.935 1.00 0.00 C ATOM 490 O LEU A 42 -4.298 1.476 1.912 1.00 0.00 O ATOM 491 CB LEU A 42 -5.273 0.060 -0.926 1.00 0.00 C ATOM 492 CG LEU A 42 -6.663 0.637 -0.682 1.00 0.00 C ATOM 493 CD1 LEU A 42 -7.505 -0.332 0.120 1.00 0.00 C ATOM 494 CD2 LEU A 42 -6.568 1.987 0.005 1.00 0.00 C ATOM 0 H LEU A 42 -5.855 -0.551 1.878 1.00 0.00 H new ATOM 0 HA LEU A 42 -3.647 -0.981 -0.005 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -4.700 0.786 -1.503 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -5.379 -0.829 -1.548 1.00 0.00 H new ATOM 0 HG LEU A 42 -7.152 0.788 -1.644 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -8.494 0.096 0.285 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -7.602 -1.269 -0.428 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -7.026 -0.521 1.081 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -7.570 2.382 0.170 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -6.060 1.873 0.963 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -6.005 2.677 -0.624 1.00 0.00 H new ATOM 500 N PHE A 43 -2.685 1.293 0.350 1.00 0.00 N ATOM 501 CA PHE A 43 -1.904 2.437 0.811 1.00 0.00 C ATOM 502 C PHE A 43 -1.997 3.597 -0.175 1.00 0.00 C ATOM 503 O PHE A 43 -1.825 3.409 -1.379 1.00 0.00 O ATOM 504 CB PHE A 43 -0.426 2.046 0.960 1.00 0.00 C ATOM 505 CG PHE A 43 -0.121 1.038 2.040 1.00 0.00 C ATOM 506 CD1 PHE A 43 -1.070 0.122 2.473 1.00 0.00 C ATOM 507 CD2 PHE A 43 1.138 1.005 2.615 1.00 0.00 C ATOM 508 CE1 PHE A 43 -0.765 -0.801 3.453 1.00 0.00 C ATOM 509 CE2 PHE A 43 1.445 0.084 3.596 1.00 0.00 C ATOM 510 CZ PHE A 43 0.490 -0.819 4.015 1.00 0.00 C ATOM 0 H PHE A 43 -2.284 0.819 -0.459 1.00 0.00 H new ATOM 0 HA PHE A 43 -2.311 2.746 1.774 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -0.077 1.647 0.008 1.00 0.00 H new ATOM 0 HB3 PHE A 43 0.151 2.949 1.158 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -2.058 0.132 2.038 1.00 0.00 H new ATOM 0 HD2 PHE A 43 1.890 1.709 2.292 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -1.512 -1.509 3.779 1.00 0.00 H new ATOM 0 HE2 PHE A 43 2.432 0.070 4.035 1.00 0.00 H new ATOM 0 HZ PHE A 43 0.728 -1.539 4.784 1.00 0.00 H new ATOM 520 N LYS A 44 -2.246 4.799 0.334 1.00 0.00 N ATOM 521 CA LYS A 44 -2.334 5.979 -0.521 1.00 0.00 C ATOM 522 C LYS A 44 -1.214 6.962 -0.198 1.00 0.00 C ATOM 523 O LYS A 44 -1.113 7.457 0.925 1.00 0.00 O ATOM 524 CB LYS A 44 -3.693 6.661 -0.366 1.00 0.00 C ATOM 525 CG LYS A 44 -4.862 5.699 -0.469 1.00 0.00 C ATOM 526 CD LYS A 44 -5.030 4.899 0.811 1.00 0.00 C ATOM 527 CE LYS A 44 -6.374 5.163 1.471 1.00 0.00 C ATOM 528 NZ LYS A 44 -6.758 6.601 1.404 1.00 0.00 N ATOM 0 H LYS A 44 -2.390 4.982 1.327 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.225 5.654 -1.556 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -3.731 7.166 0.599 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -3.795 7.430 -1.132 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -5.776 6.255 -0.676 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.705 5.020 -1.307 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.937 3.836 0.590 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -4.229 5.152 1.505 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -7.141 4.560 0.985 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -6.334 4.847 2.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -7.463 6.807 2.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -5.916 7.193 1.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -7.163 6.809 0.469 1.00 0.00 H new ATOM 542 N HIS A 45 -0.373 7.238 -1.188 1.00 0.00 N ATOM 543 CA HIS A 45 0.742 8.162 -1.009 1.00 0.00 C ATOM 544 C HIS A 45 0.623 9.350 -1.957 1.00 0.00 C ATOM 545 O HIS A 45 1.624 9.961 -2.331 1.00 0.00 O ATOM 546 CB HIS A 45 2.071 7.441 -1.243 1.00 0.00 C ATOM 547 CG HIS A 45 2.081 6.596 -2.479 1.00 0.00 C ATOM 548 ND1 HIS A 45 1.335 5.443 -2.608 1.00 0.00 N ATOM 549 CD2 HIS A 45 2.752 6.739 -3.646 1.00 0.00 C ATOM 550 CE1 HIS A 45 1.547 4.915 -3.801 1.00 0.00 C ATOM 551 NE2 HIS A 45 2.402 5.683 -4.450 1.00 0.00 N ATOM 0 H HIS A 45 -0.441 6.836 -2.123 1.00 0.00 H new ATOM 0 HA HIS A 45 0.712 8.533 0.015 1.00 0.00 H new ATOM 0 HB2 HIS A 45 2.869 8.180 -1.311 1.00 0.00 H new ATOM 0 HB3 HIS A 45 2.291 6.812 -0.380 1.00 0.00 H new ATOM 0 HD2 HIS A 45 3.436 7.536 -3.898 1.00 0.00 H new ATOM 0 HE1 HIS A 45 1.097 4.009 -4.180 1.00 0.00 H new ATOM 0 HE2 HIS A 45 2.747 5.518 -5.396 1.00 0.00 H new ATOM 560 N LYS A 46 -0.607 9.672 -2.344 1.00 0.00 N ATOM 561 CA LYS A 46 -0.852 10.788 -3.248 1.00 0.00 C ATOM 562 C LYS A 46 -0.497 12.112 -2.581 1.00 0.00 C ATOM 563 O LYS A 46 -1.374 12.842 -2.118 1.00 0.00 O ATOM 564 CB LYS A 46 -2.316 10.801 -3.690 1.00 0.00 C ATOM 565 CG LYS A 46 -2.602 9.893 -4.874 1.00 0.00 C ATOM 566 CD LYS A 46 -3.975 10.165 -5.466 1.00 0.00 C ATOM 567 CE LYS A 46 -4.478 8.983 -6.280 1.00 0.00 C ATOM 568 NZ LYS A 46 -5.877 9.184 -6.745 1.00 0.00 N ATOM 0 H LYS A 46 -1.447 9.177 -2.046 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.217 10.661 -4.125 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.943 10.498 -2.851 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -2.600 11.821 -3.948 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -1.839 10.040 -5.639 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -2.541 8.852 -4.558 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -4.681 10.382 -4.664 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -3.930 11.051 -6.100 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -3.827 8.832 -7.141 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -4.423 8.077 -5.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -6.182 8.356 -7.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -6.503 9.302 -5.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -5.926 10.034 -7.342 1.00 0.00 H new ATOM 582 N SER A 47 0.796 12.415 -2.534 1.00 0.00 N ATOM 583 CA SER A 47 1.268 13.646 -1.924 1.00 0.00 C ATOM 584 C SER A 47 2.584 14.097 -2.549 1.00 0.00 C ATOM 585 O SER A 47 2.750 15.269 -2.888 1.00 0.00 O ATOM 586 CB SER A 47 1.439 13.462 -0.415 1.00 0.00 C ATOM 587 OG SER A 47 2.694 12.878 -0.109 1.00 0.00 O ATOM 0 H SER A 47 1.534 11.822 -2.913 1.00 0.00 H new ATOM 0 HA SER A 47 0.521 14.419 -2.104 1.00 0.00 H new ATOM 0 HB2 SER A 47 1.353 14.427 0.084 1.00 0.00 H new ATOM 0 HB3 SER A 47 0.638 12.831 -0.030 1.00 0.00 H new ATOM 0 HG SER A 47 2.778 12.773 0.862 1.00 0.00 H new ATOM 593 N HIS A 48 3.523 13.164 -2.694 1.00 0.00 N ATOM 594 CA HIS A 48 4.824 13.487 -3.275 1.00 0.00 C ATOM 595 C HIS A 48 4.859 13.253 -4.791 1.00 0.00 C ATOM 596 O HIS A 48 5.447 14.051 -5.520 1.00 0.00 O ATOM 597 CB HIS A 48 5.959 12.707 -2.588 1.00 0.00 C ATOM 598 CG HIS A 48 5.594 11.323 -2.141 1.00 0.00 C ATOM 599 ND1 HIS A 48 5.965 10.188 -2.833 1.00 0.00 N ATOM 600 CD2 HIS A 48 4.895 10.892 -1.064 1.00 0.00 C ATOM 601 CE1 HIS A 48 5.509 9.120 -2.201 1.00 0.00 C ATOM 602 NE2 HIS A 48 4.857 9.520 -1.125 1.00 0.00 N ATOM 0 H HIS A 48 3.409 12.188 -2.420 1.00 0.00 H new ATOM 0 HA HIS A 48 4.981 14.551 -3.101 1.00 0.00 H new ATOM 0 HB2 HIS A 48 6.802 12.640 -3.275 1.00 0.00 H new ATOM 0 HB3 HIS A 48 6.298 13.275 -1.722 1.00 0.00 H new ATOM 0 HD1 HIS A 48 6.507 10.175 -3.697 1.00 0.00 H new ATOM 0 HD2 HIS A 48 4.450 11.512 -0.299 1.00 0.00 H new ATOM 0 HE1 HIS A 48 5.646 8.095 -2.512 1.00 0.00 H new ATOM 611 N PRO A 49 4.250 12.161 -5.300 1.00 0.00 N ATOM 612 CA PRO A 49 4.243 11.853 -6.718 1.00 0.00 C ATOM 613 C PRO A 49 2.962 12.291 -7.418 1.00 0.00 C ATOM 614 O PRO A 49 1.861 11.910 -7.020 1.00 0.00 O ATOM 615 CB PRO A 49 4.359 10.331 -6.710 1.00 0.00 C ATOM 616 CG PRO A 49 3.759 9.885 -5.406 1.00 0.00 C ATOM 617 CD PRO A 49 3.530 11.122 -4.562 1.00 0.00 C ATOM 0 HA PRO A 49 5.033 12.370 -7.262 1.00 0.00 H new ATOM 0 HB2 PRO A 49 3.828 9.893 -7.555 1.00 0.00 H new ATOM 0 HB3 PRO A 49 5.400 10.017 -6.790 1.00 0.00 H new ATOM 0 HG2 PRO A 49 2.820 9.358 -5.577 1.00 0.00 H new ATOM 0 HG3 PRO A 49 4.426 9.191 -4.895 1.00 0.00 H new ATOM 0 HD2 PRO A 49 2.470 11.355 -4.467 1.00 0.00 H new ATOM 0 HD3 PRO A 49 3.921 11.000 -3.552 1.00 0.00 H new ATOM 625 N ARG A 50 3.119 13.084 -8.473 1.00 0.00 N ATOM 626 CA ARG A 50 1.983 13.567 -9.247 1.00 0.00 C ATOM 627 C ARG A 50 1.779 12.693 -10.482 1.00 0.00 C ATOM 628 O ARG A 50 1.347 13.169 -11.530 1.00 0.00 O ATOM 629 CB ARG A 50 2.202 15.025 -9.662 1.00 0.00 C ATOM 630 CG ARG A 50 1.197 15.989 -9.054 1.00 0.00 C ATOM 631 CD ARG A 50 1.523 17.430 -9.412 1.00 0.00 C ATOM 632 NE ARG A 50 1.814 17.589 -10.835 1.00 0.00 N ATOM 633 CZ ARG A 50 2.441 18.643 -11.351 1.00 0.00 C ATOM 634 NH1 ARG A 50 2.845 19.633 -10.565 1.00 0.00 N ATOM 635 NH2 ARG A 50 2.666 18.707 -12.656 1.00 0.00 N ATOM 0 H ARG A 50 4.026 13.406 -8.812 1.00 0.00 H new ATOM 0 HA ARG A 50 1.089 13.513 -8.625 1.00 0.00 H new ATOM 0 HB2 ARG A 50 3.207 15.330 -9.371 1.00 0.00 H new ATOM 0 HB3 ARG A 50 2.150 15.096 -10.748 1.00 0.00 H new ATOM 0 HG2 ARG A 50 0.195 15.743 -9.406 1.00 0.00 H new ATOM 0 HG3 ARG A 50 1.191 15.874 -7.970 1.00 0.00 H new ATOM 0 HD2 ARG A 50 0.683 18.070 -9.140 1.00 0.00 H new ATOM 0 HD3 ARG A 50 2.380 17.764 -8.827 1.00 0.00 H new ATOM 0 HE ARG A 50 1.519 16.848 -11.471 1.00 0.00 H new ATOM 0 HH11 ARG A 50 2.675 19.588 -9.560 1.00 0.00 H new ATOM 0 HH12 ARG A 50 3.325 20.439 -10.966 1.00 0.00 H new ATOM 0 HH21 ARG A 50 2.358 17.948 -13.264 1.00 0.00 H new ATOM 0 HH22 ARG A 50 3.147 19.515 -13.052 1.00 0.00 H new ATOM 649 N ARG A 51 2.111 11.410 -10.343 1.00 0.00 N ATOM 650 CA ARG A 51 1.988 10.446 -11.431 1.00 0.00 C ATOM 651 C ARG A 51 3.110 10.638 -12.444 1.00 0.00 C ATOM 652 O ARG A 51 3.107 11.597 -13.216 1.00 0.00 O ATOM 653 CB ARG A 51 0.627 10.562 -12.133 1.00 0.00 C ATOM 654 CG ARG A 51 -0.561 10.471 -11.189 1.00 0.00 C ATOM 655 CD ARG A 51 -1.852 10.898 -11.869 1.00 0.00 C ATOM 656 NE ARG A 51 -2.938 9.947 -11.631 1.00 0.00 N ATOM 657 CZ ARG A 51 -3.172 8.878 -12.392 1.00 0.00 C ATOM 658 NH1 ARG A 51 -2.397 8.611 -13.437 1.00 0.00 N ATOM 659 NH2 ARG A 51 -4.184 8.070 -12.105 1.00 0.00 N ATOM 0 H ARG A 51 2.471 11.013 -9.475 1.00 0.00 H new ATOM 0 HA ARG A 51 2.064 9.449 -10.996 1.00 0.00 H new ATOM 0 HB2 ARG A 51 0.584 11.512 -12.666 1.00 0.00 H new ATOM 0 HB3 ARG A 51 0.546 9.773 -12.881 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -0.661 9.448 -10.827 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -0.383 11.101 -10.318 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -2.146 11.882 -11.504 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -1.682 10.993 -12.941 1.00 0.00 H new ATOM 0 HE ARG A 51 -3.553 10.112 -10.834 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -1.615 9.226 -13.663 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -2.583 7.791 -14.014 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -4.782 8.267 -11.303 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -4.364 7.252 -12.687 1.00 0.00 H new ATOM 673 N SER A 52 4.072 9.720 -12.429 1.00 0.00 N ATOM 674 CA SER A 52 5.215 9.774 -13.338 1.00 0.00 C ATOM 675 C SER A 52 6.243 10.789 -12.853 1.00 0.00 C ATOM 676 O SER A 52 6.939 11.416 -13.651 1.00 0.00 O ATOM 677 CB SER A 52 4.765 10.120 -14.761 1.00 0.00 C ATOM 678 OG SER A 52 5.381 9.270 -15.712 1.00 0.00 O ATOM 0 H SER A 52 4.083 8.923 -11.792 1.00 0.00 H new ATOM 0 HA SER A 52 5.678 8.787 -13.351 1.00 0.00 H new ATOM 0 HB2 SER A 52 3.681 10.029 -14.835 1.00 0.00 H new ATOM 0 HB3 SER A 52 5.013 11.158 -14.982 1.00 0.00 H new ATOM 0 HG SER A 52 5.076 9.510 -16.612 1.00 0.00 H new ATOM 684 N ARG A 53 6.333 10.944 -11.537 1.00 0.00 N ATOM 685 CA ARG A 53 7.274 11.878 -10.937 1.00 0.00 C ATOM 686 C ARG A 53 8.201 11.160 -9.961 1.00 0.00 C ATOM 687 O ARG A 53 9.410 11.393 -9.953 1.00 0.00 O ATOM 688 CB ARG A 53 6.521 13.000 -10.217 1.00 0.00 C ATOM 689 CG ARG A 53 6.764 14.378 -10.814 1.00 0.00 C ATOM 690 CD ARG A 53 5.643 14.785 -11.757 1.00 0.00 C ATOM 691 NE ARG A 53 6.145 15.145 -13.082 1.00 0.00 N ATOM 692 CZ ARG A 53 6.866 16.237 -13.329 1.00 0.00 C ATOM 693 NH1 ARG A 53 7.169 17.078 -12.348 1.00 0.00 N ATOM 694 NH2 ARG A 53 7.283 16.489 -14.562 1.00 0.00 N ATOM 0 H ARG A 53 5.763 10.432 -10.864 1.00 0.00 H new ATOM 0 HA ARG A 53 7.880 12.311 -11.733 1.00 0.00 H new ATOM 0 HB2 ARG A 53 5.453 12.785 -10.244 1.00 0.00 H new ATOM 0 HB3 ARG A 53 6.818 13.010 -9.168 1.00 0.00 H new ATOM 0 HG2 ARG A 53 6.851 15.112 -10.013 1.00 0.00 H new ATOM 0 HG3 ARG A 53 7.712 14.380 -11.352 1.00 0.00 H new ATOM 0 HD2 ARG A 53 4.931 13.965 -11.850 1.00 0.00 H new ATOM 0 HD3 ARG A 53 5.101 15.630 -11.333 1.00 0.00 H new ATOM 0 HE ARG A 53 5.931 14.524 -13.862 1.00 0.00 H new ATOM 0 HH11 ARG A 53 6.849 16.890 -11.398 1.00 0.00 H new ATOM 0 HH12 ARG A 53 7.722 17.913 -12.544 1.00 0.00 H new ATOM 0 HH21 ARG A 53 7.051 15.847 -15.320 1.00 0.00 H new ATOM 0 HH22 ARG A 53 7.835 17.325 -14.753 1.00 0.00 H new ATOM 708 N ARG A 54 7.626 10.284 -9.143 1.00 0.00 N ATOM 709 CA ARG A 54 8.399 9.527 -8.164 1.00 0.00 C ATOM 710 C ARG A 54 7.684 8.235 -7.779 1.00 0.00 C ATOM 711 O ARG A 54 6.679 8.257 -7.070 1.00 0.00 O ATOM 712 CB ARG A 54 8.646 10.374 -6.913 1.00 0.00 C ATOM 713 CG ARG A 54 9.621 11.520 -7.132 1.00 0.00 C ATOM 714 CD ARG A 54 10.987 11.018 -7.574 1.00 0.00 C ATOM 715 NE ARG A 54 11.560 10.075 -6.617 1.00 0.00 N ATOM 716 CZ ARG A 54 12.572 9.259 -6.899 1.00 0.00 C ATOM 717 NH1 ARG A 54 13.124 9.265 -8.107 1.00 0.00 N ATOM 718 NH2 ARG A 54 13.035 8.432 -5.971 1.00 0.00 N ATOM 0 H ARG A 54 6.627 10.081 -9.139 1.00 0.00 H new ATOM 0 HA ARG A 54 9.355 9.269 -8.619 1.00 0.00 H new ATOM 0 HB2 ARG A 54 7.695 10.779 -6.566 1.00 0.00 H new ATOM 0 HB3 ARG A 54 9.027 9.731 -6.120 1.00 0.00 H new ATOM 0 HG2 ARG A 54 9.221 12.199 -7.885 1.00 0.00 H new ATOM 0 HG3 ARG A 54 9.724 12.092 -6.210 1.00 0.00 H new ATOM 0 HD2 ARG A 54 10.899 10.537 -8.548 1.00 0.00 H new ATOM 0 HD3 ARG A 54 11.662 11.865 -7.697 1.00 0.00 H new ATOM 0 HE ARG A 54 11.161 10.040 -5.679 1.00 0.00 H new ATOM 0 HH11 ARG A 54 12.772 9.898 -8.825 1.00 0.00 H new ATOM 0 HH12 ARG A 54 13.900 8.637 -8.316 1.00 0.00 H new ATOM 0 HH21 ARG A 54 12.615 8.422 -5.042 1.00 0.00 H new ATOM 0 HH22 ARG A 54 13.811 7.806 -6.187 1.00 0.00 H new ATOM 732 N SER A 55 8.213 7.108 -8.247 1.00 0.00 N ATOM 733 CA SER A 55 7.628 5.805 -7.948 1.00 0.00 C ATOM 734 C SER A 55 7.715 5.503 -6.457 1.00 0.00 C ATOM 735 O SER A 55 8.165 6.337 -5.671 1.00 0.00 O ATOM 736 CB SER A 55 8.345 4.711 -8.741 1.00 0.00 C ATOM 737 OG SER A 55 7.737 4.513 -10.005 1.00 0.00 O ATOM 0 H SER A 55 9.046 7.071 -8.835 1.00 0.00 H new ATOM 0 HA SER A 55 6.577 5.828 -8.237 1.00 0.00 H new ATOM 0 HB2 SER A 55 9.392 4.983 -8.877 1.00 0.00 H new ATOM 0 HB3 SER A 55 8.329 3.779 -8.176 1.00 0.00 H new ATOM 0 HG SER A 55 6.895 4.026 -9.890 1.00 0.00 H new ATOM 743 N ALA A 56 7.289 4.301 -6.071 1.00 0.00 N ATOM 744 CA ALA A 56 7.331 3.895 -4.671 1.00 0.00 C ATOM 745 C ALA A 56 8.748 4.007 -4.121 1.00 0.00 C ATOM 746 O ALA A 56 9.712 4.073 -4.883 1.00 0.00 O ATOM 747 CB ALA A 56 6.805 2.477 -4.511 1.00 0.00 C ATOM 0 H ALA A 56 6.913 3.596 -6.706 1.00 0.00 H new ATOM 0 HA ALA A 56 6.689 4.566 -4.100 1.00 0.00 H new ATOM 0 HB1 ALA A 56 6.844 2.191 -3.460 1.00 0.00 H new ATOM 0 HB2 ALA A 56 5.774 2.430 -4.862 1.00 0.00 H new ATOM 0 HB3 ALA A 56 7.419 1.793 -5.096 1.00 0.00 H new ATOM 753 N LEU A 57 8.872 4.048 -2.799 1.00 0.00 N ATOM 754 CA LEU A 57 10.181 4.176 -2.168 1.00 0.00 C ATOM 755 C LEU A 57 10.279 3.324 -0.906 1.00 0.00 C ATOM 756 O LEU A 57 10.829 2.223 -0.929 1.00 0.00 O ATOM 757 CB LEU A 57 10.473 5.645 -1.834 1.00 0.00 C ATOM 758 CG LEU A 57 9.451 6.658 -2.357 1.00 0.00 C ATOM 759 CD1 LEU A 57 8.429 6.980 -1.281 1.00 0.00 C ATOM 760 CD2 LEU A 57 10.153 7.918 -2.836 1.00 0.00 C ATOM 0 H LEU A 57 8.089 3.995 -2.148 1.00 0.00 H new ATOM 0 HA LEU A 57 10.926 3.815 -2.877 1.00 0.00 H new ATOM 0 HB2 LEU A 57 10.537 5.747 -0.751 1.00 0.00 H new ATOM 0 HB3 LEU A 57 11.452 5.903 -2.237 1.00 0.00 H new ATOM 0 HG LEU A 57 8.924 6.220 -3.205 1.00 0.00 H new ATOM 0 HD11 LEU A 57 7.709 7.701 -1.667 1.00 0.00 H new ATOM 0 HD12 LEU A 57 7.908 6.068 -0.989 1.00 0.00 H new ATOM 0 HD13 LEU A 57 8.935 7.402 -0.413 1.00 0.00 H new ATOM 0 HD21 LEU A 57 9.413 8.629 -3.205 1.00 0.00 H new ATOM 0 HD22 LEU A 57 10.704 8.365 -2.008 1.00 0.00 H new ATOM 0 HD23 LEU A 57 10.846 7.666 -3.639 1.00 0.00 H new ATOM 766 N HIS A 58 9.747 3.842 0.195 1.00 0.00 N ATOM 767 CA HIS A 58 9.780 3.136 1.465 1.00 0.00 C ATOM 768 C HIS A 58 8.830 1.945 1.442 1.00 0.00 C ATOM 769 O HIS A 58 9.048 0.952 2.134 1.00 0.00 O ATOM 770 CB HIS A 58 9.406 4.090 2.601 1.00 0.00 C ATOM 771 CG HIS A 58 10.313 3.993 3.786 1.00 0.00 C ATOM 772 ND1 HIS A 58 10.533 2.817 4.468 1.00 0.00 N ATOM 773 CD2 HIS A 58 11.059 4.934 4.412 1.00 0.00 C ATOM 774 CE1 HIS A 58 11.375 3.037 5.463 1.00 0.00 C ATOM 775 NE2 HIS A 58 11.709 4.314 5.450 1.00 0.00 N ATOM 0 H HIS A 58 9.287 4.752 0.231 1.00 0.00 H new ATOM 0 HA HIS A 58 10.791 2.764 1.631 1.00 0.00 H new ATOM 0 HB2 HIS A 58 9.421 5.113 2.225 1.00 0.00 H new ATOM 0 HB3 HIS A 58 8.384 3.882 2.918 1.00 0.00 H new ATOM 0 HD2 HIS A 58 11.129 5.978 4.144 1.00 0.00 H new ATOM 0 HE1 HIS A 58 11.729 2.298 6.166 1.00 0.00 H new ATOM 0 HE2 HIS A 58 12.347 4.767 6.105 1.00 0.00 H new ATOM 784 N ILE A 59 7.776 2.057 0.637 1.00 0.00 N ATOM 785 CA ILE A 59 6.784 0.997 0.517 1.00 0.00 C ATOM 786 C ILE A 59 7.340 -0.219 -0.230 1.00 0.00 C ATOM 787 O ILE A 59 6.666 -1.238 -0.355 1.00 0.00 O ATOM 788 CB ILE A 59 5.497 1.530 -0.172 1.00 0.00 C ATOM 789 CG1 ILE A 59 4.388 1.701 0.867 1.00 0.00 C ATOM 790 CG2 ILE A 59 5.025 0.625 -1.308 1.00 0.00 C ATOM 791 CD1 ILE A 59 4.038 0.424 1.596 1.00 0.00 C ATOM 0 H ILE A 59 7.589 2.875 0.057 1.00 0.00 H new ATOM 0 HA ILE A 59 6.528 0.669 1.524 1.00 0.00 H new ATOM 0 HB ILE A 59 5.739 2.496 -0.616 1.00 0.00 H new ATOM 0 HG12 ILE A 59 4.696 2.452 1.595 1.00 0.00 H new ATOM 0 HG13 ILE A 59 3.495 2.084 0.373 1.00 0.00 H new ATOM 0 HG21 ILE A 59 4.123 1.043 -1.755 1.00 0.00 H new ATOM 0 HG22 ILE A 59 5.806 0.554 -2.065 1.00 0.00 H new ATOM 0 HG23 ILE A 59 4.809 -0.369 -0.916 1.00 0.00 H new ATOM 0 HD11 ILE A 59 3.245 0.622 2.317 1.00 0.00 H new ATOM 0 HD12 ILE A 59 3.698 -0.323 0.879 1.00 0.00 H new ATOM 0 HD13 ILE A 59 4.918 0.051 2.119 1.00 0.00 H new ATOM 795 N THR A 60 8.573 -0.117 -0.715 1.00 0.00 N ATOM 796 CA THR A 60 9.193 -1.222 -1.435 1.00 0.00 C ATOM 797 C THR A 60 9.931 -2.162 -0.482 1.00 0.00 C ATOM 798 O THR A 60 10.814 -2.908 -0.902 1.00 0.00 O ATOM 799 CB THR A 60 10.160 -0.689 -2.492 1.00 0.00 C ATOM 800 OG1 THR A 60 11.298 -0.106 -1.882 1.00 0.00 O ATOM 801 CG2 THR A 60 9.541 0.350 -3.401 1.00 0.00 C ATOM 0 H THR A 60 9.159 0.713 -0.623 1.00 0.00 H new ATOM 0 HA THR A 60 8.400 -1.787 -1.925 1.00 0.00 H new ATOM 0 HB THR A 60 10.435 -1.555 -3.094 1.00 0.00 H new ATOM 0 HG1 THR A 60 11.014 0.617 -1.284 1.00 0.00 H new ATOM 0 HG21 THR A 60 10.281 0.686 -4.127 1.00 0.00 H new ATOM 0 HG22 THR A 60 8.690 -0.086 -3.925 1.00 0.00 H new ATOM 0 HG23 THR A 60 9.205 1.200 -2.807 1.00 0.00 H new ATOM 806 N LYS A 61 9.575 -2.120 0.804 1.00 0.00 N ATOM 807 CA LYS A 61 10.231 -2.976 1.790 1.00 0.00 C ATOM 808 C LYS A 61 9.226 -3.686 2.706 1.00 0.00 C ATOM 809 O LYS A 61 9.207 -4.914 2.773 1.00 0.00 O ATOM 810 CB LYS A 61 11.273 -2.155 2.589 1.00 0.00 C ATOM 811 CG LYS A 61 10.942 -1.882 4.060 1.00 0.00 C ATOM 812 CD LYS A 61 10.267 -0.526 4.250 1.00 0.00 C ATOM 813 CE LYS A 61 10.390 -0.028 5.684 1.00 0.00 C ATOM 814 NZ LYS A 61 10.181 -1.116 6.683 1.00 0.00 N ATOM 0 H LYS A 61 8.848 -1.512 1.181 1.00 0.00 H new ATOM 0 HA LYS A 61 10.755 -3.770 1.257 1.00 0.00 H new ATOM 0 HB2 LYS A 61 12.228 -2.679 2.545 1.00 0.00 H new ATOM 0 HB3 LYS A 61 11.412 -1.198 2.087 1.00 0.00 H new ATOM 0 HG2 LYS A 61 10.288 -2.669 4.437 1.00 0.00 H new ATOM 0 HG3 LYS A 61 11.857 -1.918 4.651 1.00 0.00 H new ATOM 0 HD2 LYS A 61 10.716 0.201 3.573 1.00 0.00 H new ATOM 0 HD3 LYS A 61 9.213 -0.604 3.982 1.00 0.00 H new ATOM 0 HE2 LYS A 61 11.377 0.411 5.830 1.00 0.00 H new ATOM 0 HE3 LYS A 61 9.660 0.764 5.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 9.540 -0.782 7.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 9.762 -1.944 6.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 11.095 -1.382 7.103 1.00 0.00 H new ATOM 828 N ARG A 62 8.409 -2.920 3.418 1.00 0.00 N ATOM 829 CA ARG A 62 7.428 -3.499 4.332 1.00 0.00 C ATOM 830 C ARG A 62 6.167 -3.950 3.603 1.00 0.00 C ATOM 831 O ARG A 62 5.422 -4.791 4.104 1.00 0.00 O ATOM 832 CB ARG A 62 7.071 -2.499 5.431 1.00 0.00 C ATOM 833 CG ARG A 62 6.484 -3.148 6.674 1.00 0.00 C ATOM 834 CD ARG A 62 7.518 -3.270 7.781 1.00 0.00 C ATOM 835 NE ARG A 62 6.898 -3.366 9.100 1.00 0.00 N ATOM 836 CZ ARG A 62 7.535 -3.783 10.192 1.00 0.00 C ATOM 837 NH1 ARG A 62 8.812 -4.141 10.127 1.00 0.00 N ATOM 838 NH2 ARG A 62 6.895 -3.842 11.351 1.00 0.00 N ATOM 0 H ARG A 62 8.405 -1.901 3.382 1.00 0.00 H new ATOM 0 HA ARG A 62 7.883 -4.382 4.782 1.00 0.00 H new ATOM 0 HB2 ARG A 62 7.966 -1.942 5.710 1.00 0.00 H new ATOM 0 HB3 ARG A 62 6.357 -1.777 5.036 1.00 0.00 H new ATOM 0 HG2 ARG A 62 5.638 -2.559 7.028 1.00 0.00 H new ATOM 0 HG3 ARG A 62 6.100 -4.137 6.423 1.00 0.00 H new ATOM 0 HD2 ARG A 62 8.135 -4.151 7.605 1.00 0.00 H new ATOM 0 HD3 ARG A 62 8.182 -2.406 7.754 1.00 0.00 H new ATOM 0 HE ARG A 62 5.918 -3.097 9.190 1.00 0.00 H new ATOM 0 HH11 ARG A 62 9.309 -4.097 9.238 1.00 0.00 H new ATOM 0 HH12 ARG A 62 9.296 -4.460 10.967 1.00 0.00 H new ATOM 0 HH21 ARG A 62 5.914 -3.568 11.406 1.00 0.00 H new ATOM 0 HH22 ARG A 62 7.383 -4.162 12.188 1.00 0.00 H new ATOM 852 N LEU A 63 5.925 -3.389 2.424 1.00 0.00 N ATOM 853 CA LEU A 63 4.749 -3.744 1.642 1.00 0.00 C ATOM 854 C LEU A 63 4.828 -5.199 1.216 1.00 0.00 C ATOM 855 O LEU A 63 3.933 -5.991 1.511 1.00 0.00 O ATOM 856 CB LEU A 63 4.635 -2.823 0.419 1.00 0.00 C ATOM 857 CG LEU A 63 3.317 -2.882 -0.366 1.00 0.00 C ATOM 858 CD1 LEU A 63 2.995 -4.305 -0.794 1.00 0.00 C ATOM 859 CD2 LEU A 63 2.175 -2.287 0.447 1.00 0.00 C ATOM 0 H LEU A 63 6.526 -2.688 1.990 1.00 0.00 H new ATOM 0 HA LEU A 63 3.857 -3.614 2.255 1.00 0.00 H new ATOM 0 HB2 LEU A 63 4.788 -1.796 0.751 1.00 0.00 H new ATOM 0 HB3 LEU A 63 5.450 -3.062 -0.265 1.00 0.00 H new ATOM 0 HG LEU A 63 3.439 -2.283 -1.269 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.056 -4.315 -1.348 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.795 -4.684 -1.430 1.00 0.00 H new ATOM 0 HD13 LEU A 63 2.902 -4.938 0.088 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.252 -2.340 -0.130 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.057 -2.849 1.374 1.00 0.00 H new ATOM 0 HD23 LEU A 63 2.398 -1.246 0.680 1.00 0.00 H new ATOM 865 N SER A 64 5.909 -5.554 0.537 1.00 0.00 N ATOM 866 CA SER A 64 6.094 -6.927 0.095 1.00 0.00 C ATOM 867 C SER A 64 6.357 -7.818 1.302 1.00 0.00 C ATOM 868 O SER A 64 5.892 -8.958 1.369 1.00 0.00 O ATOM 869 CB SER A 64 7.236 -7.031 -0.916 1.00 0.00 C ATOM 870 OG SER A 64 8.482 -7.222 -0.268 1.00 0.00 O ATOM 0 H SER A 64 6.664 -4.917 0.282 1.00 0.00 H new ATOM 0 HA SER A 64 5.185 -7.261 -0.404 1.00 0.00 H new ATOM 0 HB2 SER A 64 7.047 -7.861 -1.597 1.00 0.00 H new ATOM 0 HB3 SER A 64 7.273 -6.125 -1.520 1.00 0.00 H new ATOM 0 HG SER A 64 9.193 -7.287 -0.939 1.00 0.00 H new ATOM 876 N ASP A 65 7.087 -7.278 2.277 1.00 0.00 N ATOM 877 CA ASP A 65 7.382 -8.018 3.495 1.00 0.00 C ATOM 878 C ASP A 65 6.080 -8.452 4.158 1.00 0.00 C ATOM 879 O ASP A 65 5.930 -9.605 4.562 1.00 0.00 O ATOM 880 CB ASP A 65 8.204 -7.161 4.460 1.00 0.00 C ATOM 881 CG ASP A 65 8.626 -7.926 5.698 1.00 0.00 C ATOM 882 OD1 ASP A 65 9.228 -9.011 5.549 1.00 0.00 O ATOM 883 OD2 ASP A 65 8.355 -7.441 6.817 1.00 0.00 O ATOM 0 H ASP A 65 7.481 -6.338 2.245 1.00 0.00 H new ATOM 0 HA ASP A 65 7.967 -8.901 3.237 1.00 0.00 H new ATOM 0 HB2 ASP A 65 9.091 -6.790 3.946 1.00 0.00 H new ATOM 0 HB3 ASP A 65 7.619 -6.290 4.756 1.00 0.00 H new ATOM 888 N ASP A 66 5.131 -7.521 4.242 1.00 0.00 N ATOM 889 CA ASP A 66 3.829 -7.810 4.830 1.00 0.00 C ATOM 890 C ASP A 66 2.923 -8.500 3.812 1.00 0.00 C ATOM 891 O ASP A 66 1.947 -9.155 4.174 1.00 0.00 O ATOM 892 CB ASP A 66 3.172 -6.526 5.336 1.00 0.00 C ATOM 893 CG ASP A 66 2.522 -6.707 6.693 1.00 0.00 C ATOM 894 OD1 ASP A 66 3.259 -6.894 7.684 1.00 0.00 O ATOM 895 OD2 ASP A 66 1.275 -6.661 6.765 1.00 0.00 O ATOM 0 H ASP A 66 5.241 -6.563 3.910 1.00 0.00 H new ATOM 0 HA ASP A 66 3.977 -8.481 5.676 1.00 0.00 H new ATOM 0 HB2 ASP A 66 3.922 -5.737 5.397 1.00 0.00 H new ATOM 0 HB3 ASP A 66 2.421 -6.197 4.617 1.00 0.00 H new ATOM 900 N ASP A 67 3.261 -8.345 2.532 1.00 0.00 N ATOM 901 CA ASP A 67 2.492 -8.945 1.448 1.00 0.00 C ATOM 902 C ASP A 67 2.407 -10.462 1.601 1.00 0.00 C ATOM 903 O ASP A 67 1.567 -11.110 0.978 1.00 0.00 O ATOM 904 CB ASP A 67 3.129 -8.584 0.101 1.00 0.00 C ATOM 905 CG ASP A 67 2.631 -9.447 -1.045 1.00 0.00 C ATOM 906 OD1 ASP A 67 1.441 -9.819 -1.033 1.00 0.00 O ATOM 907 OD2 ASP A 67 3.433 -9.749 -1.954 1.00 0.00 O ATOM 0 H ASP A 67 4.069 -7.805 2.222 1.00 0.00 H new ATOM 0 HA ASP A 67 1.477 -8.549 1.488 1.00 0.00 H new ATOM 0 HB2 ASP A 67 2.921 -7.538 -0.123 1.00 0.00 H new ATOM 0 HB3 ASP A 67 4.212 -8.684 0.179 1.00 0.00 H new ATOM 912 N ARG A 68 3.276 -11.028 2.436 1.00 0.00 N ATOM 913 CA ARG A 68 3.288 -12.469 2.664 1.00 0.00 C ATOM 914 C ARG A 68 1.879 -12.993 2.904 1.00 0.00 C ATOM 915 O ARG A 68 1.580 -14.153 2.619 1.00 0.00 O ATOM 916 CB ARG A 68 4.192 -12.811 3.850 1.00 0.00 C ATOM 917 CG ARG A 68 3.644 -12.348 5.190 1.00 0.00 C ATOM 918 CD ARG A 68 4.750 -12.190 6.221 1.00 0.00 C ATOM 919 NE ARG A 68 4.224 -12.130 7.582 1.00 0.00 N ATOM 920 CZ ARG A 68 4.958 -12.346 8.671 1.00 0.00 C ATOM 921 NH1 ARG A 68 6.250 -12.633 8.563 1.00 0.00 N ATOM 922 NH2 ARG A 68 4.401 -12.272 9.872 1.00 0.00 N ATOM 0 H ARG A 68 3.979 -10.511 2.964 1.00 0.00 H new ATOM 0 HA ARG A 68 3.683 -12.952 1.770 1.00 0.00 H new ATOM 0 HB2 ARG A 68 4.342 -13.890 3.882 1.00 0.00 H new ATOM 0 HB3 ARG A 68 5.171 -12.358 3.692 1.00 0.00 H new ATOM 0 HG2 ARG A 68 3.125 -11.398 5.063 1.00 0.00 H new ATOM 0 HG3 ARG A 68 2.909 -13.067 5.551 1.00 0.00 H new ATOM 0 HD2 ARG A 68 5.446 -13.025 6.138 1.00 0.00 H new ATOM 0 HD3 ARG A 68 5.315 -11.282 6.010 1.00 0.00 H new ATOM 0 HE ARG A 68 3.236 -11.910 7.705 1.00 0.00 H new ATOM 0 HH11 ARG A 68 6.685 -12.689 7.642 1.00 0.00 H new ATOM 0 HH12 ARG A 68 6.808 -12.798 9.401 1.00 0.00 H new ATOM 0 HH21 ARG A 68 3.410 -12.049 9.962 1.00 0.00 H new ATOM 0 HH22 ARG A 68 4.964 -12.438 10.706 1.00 0.00 H new ATOM 936 N VAL A 69 1.013 -12.124 3.415 1.00 0.00 N ATOM 937 CA VAL A 69 -0.374 -12.480 3.679 1.00 0.00 C ATOM 938 C VAL A 69 -0.968 -13.291 2.540 1.00 0.00 C ATOM 939 O VAL A 69 -1.446 -14.409 2.734 1.00 0.00 O ATOM 940 CB VAL A 69 -1.253 -11.229 3.867 1.00 0.00 C ATOM 941 CG1 VAL A 69 -1.457 -10.946 5.346 1.00 0.00 C ATOM 942 CG2 VAL A 69 -0.665 -10.015 3.154 1.00 0.00 C ATOM 0 H VAL A 69 1.251 -11.162 3.656 1.00 0.00 H new ATOM 0 HA VAL A 69 -0.364 -13.072 4.594 1.00 0.00 H new ATOM 0 HB VAL A 69 -2.224 -11.430 3.413 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -2.080 -10.059 5.464 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -1.947 -11.799 5.815 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -0.491 -10.776 5.821 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -1.313 -9.152 3.310 1.00 0.00 H new ATOM 0 HG22 VAL A 69 0.326 -9.802 3.555 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.587 -10.222 2.087 1.00 0.00 H new ATOM 946 N THR A 70 -0.936 -12.708 1.353 1.00 0.00 N ATOM 947 CA THR A 70 -1.471 -13.352 0.169 1.00 0.00 C ATOM 948 C THR A 70 -0.827 -12.772 -1.083 1.00 0.00 C ATOM 949 O THR A 70 0.068 -13.378 -1.670 1.00 0.00 O ATOM 950 CB THR A 70 -2.988 -13.192 0.114 1.00 0.00 C ATOM 951 OG1 THR A 70 -3.604 -13.866 1.197 1.00 0.00 O ATOM 952 CG2 THR A 70 -3.606 -13.720 -1.162 1.00 0.00 C ATOM 0 H THR A 70 -0.541 -11.782 1.185 1.00 0.00 H new ATOM 0 HA THR A 70 -1.240 -14.416 0.217 1.00 0.00 H new ATOM 0 HB THR A 70 -3.162 -12.117 0.164 1.00 0.00 H new ATOM 0 HG1 THR A 70 -2.915 -14.255 1.775 1.00 0.00 H new ATOM 0 HG21 THR A 70 -4.686 -13.573 -1.131 1.00 0.00 H new ATOM 0 HG22 THR A 70 -3.191 -13.185 -2.016 1.00 0.00 H new ATOM 0 HG23 THR A 70 -3.387 -14.783 -1.259 1.00 0.00 H new ATOM 957 N TRP A 71 -1.272 -11.581 -1.472 1.00 0.00 N ATOM 958 CA TRP A 71 -0.714 -10.910 -2.641 1.00 0.00 C ATOM 959 C TRP A 71 -0.740 -9.407 -2.459 1.00 0.00 C ATOM 960 O TRP A 71 -1.613 -8.865 -1.784 1.00 0.00 O ATOM 961 CB TRP A 71 -1.459 -11.286 -3.921 1.00 0.00 C ATOM 962 CG TRP A 71 -2.809 -10.651 -4.030 1.00 0.00 C ATOM 963 CD1 TRP A 71 -3.984 -11.205 -3.647 1.00 0.00 C ATOM 964 CD2 TRP A 71 -3.123 -9.347 -4.542 1.00 0.00 C ATOM 965 NE1 TRP A 71 -5.020 -10.340 -3.893 1.00 0.00 N ATOM 966 CE2 TRP A 71 -4.518 -9.190 -4.442 1.00 0.00 C ATOM 967 CE3 TRP A 71 -2.367 -8.297 -5.076 1.00 0.00 C ATOM 968 CZ2 TRP A 71 -5.172 -8.032 -4.854 1.00 0.00 C ATOM 969 CZ3 TRP A 71 -3.020 -7.145 -5.484 1.00 0.00 C ATOM 970 CH2 TRP A 71 -4.409 -7.023 -5.371 1.00 0.00 C ATOM 0 H TRP A 71 -2.012 -11.064 -0.998 1.00 0.00 H new ATOM 0 HA TRP A 71 0.319 -11.244 -2.739 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -0.858 -10.994 -4.782 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -1.571 -12.369 -3.963 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -4.090 -12.187 -3.210 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -6.004 -10.524 -3.699 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -1.294 -8.383 -5.168 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -6.244 -7.935 -4.768 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -2.447 -6.328 -5.896 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -4.888 -6.113 -5.699 1.00 0.00 H new ATOM 981 N ALA A 72 0.233 -8.750 -3.061 1.00 0.00 N ATOM 982 CA ALA A 72 0.350 -7.308 -2.970 1.00 0.00 C ATOM 983 C ALA A 72 0.823 -6.709 -4.289 1.00 0.00 C ATOM 984 O ALA A 72 1.917 -7.014 -4.765 1.00 0.00 O ATOM 985 CB ALA A 72 1.300 -6.946 -1.842 1.00 0.00 C ATOM 0 H ALA A 72 0.958 -9.196 -3.622 1.00 0.00 H new ATOM 0 HA ALA A 72 -0.634 -6.890 -2.757 1.00 0.00 H new ATOM 0 HB1 ALA A 72 1.388 -5.862 -1.774 1.00 0.00 H new ATOM 0 HB2 ALA A 72 0.914 -7.339 -0.901 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.281 -7.378 -2.040 1.00 0.00 H new ATOM 991 N GLU A 73 -0.007 -5.849 -4.872 1.00 0.00 N ATOM 992 CA GLU A 73 0.328 -5.203 -6.134 1.00 0.00 C ATOM 993 C GLU A 73 -0.110 -3.744 -6.125 1.00 0.00 C ATOM 994 O GLU A 73 -1.211 -3.418 -5.680 1.00 0.00 O ATOM 995 CB GLU A 73 -0.330 -5.938 -7.302 1.00 0.00 C ATOM 996 CG GLU A 73 0.348 -5.682 -8.639 1.00 0.00 C ATOM 997 CD GLU A 73 0.650 -6.962 -9.394 1.00 0.00 C ATOM 998 OE1 GLU A 73 -0.276 -7.508 -10.031 1.00 0.00 O ATOM 999 OE2 GLU A 73 1.812 -7.416 -9.351 1.00 0.00 O ATOM 0 H GLU A 73 -0.915 -5.584 -4.490 1.00 0.00 H new ATOM 0 HA GLU A 73 1.410 -5.241 -6.258 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -0.321 -7.009 -7.098 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -1.375 -5.635 -7.369 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -0.292 -5.046 -9.251 1.00 0.00 H new ATOM 0 HG3 GLU A 73 1.276 -5.135 -8.473 1.00 0.00 H new ATOM 1006 N GLN A 74 0.757 -2.866 -6.617 1.00 0.00 N ATOM 1007 CA GLN A 74 0.456 -1.442 -6.663 1.00 0.00 C ATOM 1008 C GLN A 74 -0.232 -1.076 -7.972 1.00 0.00 C ATOM 1009 O GLN A 74 0.157 -1.545 -9.042 1.00 0.00 O ATOM 1010 CB GLN A 74 1.736 -0.620 -6.496 1.00 0.00 C ATOM 1011 CG GLN A 74 1.494 0.769 -5.931 1.00 0.00 C ATOM 1012 CD GLN A 74 2.618 1.237 -5.028 1.00 0.00 C ATOM 1013 OE1 GLN A 74 3.794 0.999 -5.306 1.00 0.00 O ATOM 1014 NE2 GLN A 74 2.262 1.905 -3.937 1.00 0.00 N ATOM 0 H GLN A 74 1.673 -3.116 -6.989 1.00 0.00 H new ATOM 0 HA GLN A 74 -0.221 -1.212 -5.840 1.00 0.00 H new ATOM 0 HB2 GLN A 74 2.420 -1.157 -5.839 1.00 0.00 H new ATOM 0 HB3 GLN A 74 2.229 -0.529 -7.464 1.00 0.00 H new ATOM 0 HG2 GLN A 74 1.375 1.475 -6.753 1.00 0.00 H new ATOM 0 HG3 GLN A 74 0.559 0.771 -5.371 1.00 0.00 H new ATOM 0 HE21 GLN A 74 1.276 2.080 -3.745 1.00 0.00 H new ATOM 0 HE22 GLN A 74 2.975 2.243 -3.291 1.00 0.00 H new ATOM 1021 N GLN A 75 -1.256 -0.236 -7.880 1.00 0.00 N ATOM 1022 CA GLN A 75 -1.999 0.196 -9.056 1.00 0.00 C ATOM 1023 C GLN A 75 -1.933 1.709 -9.204 1.00 0.00 C ATOM 1024 O GLN A 75 -2.642 2.440 -8.513 1.00 0.00 O ATOM 1025 CB GLN A 75 -3.456 -0.259 -8.961 1.00 0.00 C ATOM 1026 CG GLN A 75 -3.622 -1.770 -8.935 1.00 0.00 C ATOM 1027 CD GLN A 75 -4.254 -2.267 -7.648 1.00 0.00 C ATOM 1028 OE1 GLN A 75 -3.758 -1.999 -6.555 1.00 0.00 O ATOM 1029 NE2 GLN A 75 -5.356 -2.997 -7.775 1.00 0.00 N ATOM 0 H GLN A 75 -1.591 0.160 -7.001 1.00 0.00 H new ATOM 0 HA GLN A 75 -1.544 -0.260 -9.936 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -3.901 0.162 -8.060 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -4.010 0.144 -9.809 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -4.237 -2.079 -9.780 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -2.647 -2.241 -9.062 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -5.733 -3.195 -8.702 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -5.826 -3.360 -6.946 1.00 0.00 H new ATOM 1036 N TYR A 76 -1.070 2.169 -10.105 1.00 0.00 N ATOM 1037 CA TYR A 76 -0.900 3.596 -10.347 1.00 0.00 C ATOM 1038 C TYR A 76 -1.824 4.074 -11.462 1.00 0.00 C ATOM 1039 O TYR A 76 -2.535 5.063 -11.299 1.00 99.99 O ATOM 1040 CB TYR A 76 0.555 3.905 -10.705 1.00 0.00 C ATOM 1041 CG TYR A 76 1.564 3.090 -9.927 1.00 0.00 C ATOM 1042 CD1 TYR A 76 1.959 1.835 -10.371 1.00 0.00 C ATOM 1043 CD2 TYR A 76 2.119 3.575 -8.750 1.00 0.00 C ATOM 1044 CE1 TYR A 76 2.880 1.086 -9.664 1.00 0.00 C ATOM 1045 CE2 TYR A 76 3.041 2.832 -8.037 1.00 0.00 C ATOM 1046 CZ TYR A 76 3.418 1.588 -8.499 1.00 0.00 C ATOM 1047 OH TYR A 76 4.337 0.845 -7.792 1.00 0.00 O ATOM 0 H TYR A 76 -0.477 1.571 -10.680 1.00 0.00 H new ATOM 0 HA TYR A 76 -1.162 4.127 -9.432 1.00 0.00 H new ATOM 0 HB2 TYR A 76 0.702 3.727 -11.770 1.00 0.00 H new ATOM 0 HB3 TYR A 76 0.745 4.964 -10.530 1.00 0.00 H new ATOM 0 HD1 TYR A 76 1.540 1.438 -11.284 1.00 0.00 H new ATOM 0 HD2 TYR A 76 1.825 4.548 -8.386 1.00 0.00 H new ATOM 0 HE1 TYR A 76 3.177 0.112 -10.023 1.00 0.00 H new ATOM 0 HE2 TYR A 76 3.464 3.223 -7.123 1.00 0.00 H new ATOM 0 HH TYR A 76 4.368 1.160 -6.864 1.00 0.00 H new TER 1057 TYR A 76