USER MOD reduce.3.24.130724 H: found=0, std=0, add=639, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 639 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 26 GLN : amide:sc= -0.235 X(o=0.32,f=0.17) USER MOD Set 1.2: A 30 TYR OH : rot 30:sc= 0.555 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -174:sc= 0 (180deg=-0.0511) USER MOD Single : A 3 GLN : amide:sc= -0.896 K(o=-0.9,f=0) USER MOD Single : A 7 ASN : amide:sc= 0.0481 X(o=0.048,f=-0.06) USER MOD Single : A 11 MET CE :methyl 153:sc= -3.53 (180deg=-7.1!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl 145:sc= -1.27 (180deg=-4.13!) USER MOD Single : A 20 THR OG1 : rot -72:sc= 0.888 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= 0.033 X(o=0.033,f=-0.21) USER MOD Single : A 40 HIS : no HE2:sc= -2.64! C(o=-2.6!,f=-7.1!) USER MOD Single : A 42 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0561) USER MOD Single : A 45 SER OG : rot -73:sc= -0.659 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 149:sc= 0.216 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 165:sc= 0.0628 USER MOD Single : A 59 ASN : amide:sc= -0.632 K(o=-0.63,f=-4.6!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -0.0108 X(o=-0.011,f=0) USER MOD Single : A 65 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00502) USER MOD Single : A 70 SER OG : rot 168:sc= 0.214 USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 75 HIS : no HE2:sc= 0.841 K(o=0.84,f=-2.9!) USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=-0.0053) USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 78 HIS : no HD1:sc= 0 X(o=0,f=-0.0044) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 8.018 -4.212 -3.037 1.00 3.31 N ATOM 2 CA MET A 1 8.709 -5.452 -2.594 1.00 70.35 C ATOM 3 C MET A 1 7.841 -6.264 -1.619 1.00 21.44 C ATOM 4 O MET A 1 8.000 -6.172 -0.400 1.00 54.21 O ATOM 5 CB MET A 1 10.059 -5.115 -1.942 1.00 55.44 C ATOM 6 CG MET A 1 11.049 -4.451 -2.887 1.00 30.34 C ATOM 7 SD MET A 1 11.377 -5.458 -4.345 1.00 14.23 S ATOM 8 CE MET A 1 12.596 -4.452 -5.191 1.00 2.04 C ATOM 0 H1 MET A 1 8.586 -3.741 -3.770 1.00 3.31 H new ATOM 0 H2 MET A 1 7.084 -4.455 -3.426 1.00 3.31 H new ATOM 0 H3 MET A 1 7.899 -3.572 -2.226 1.00 3.31 H new ATOM 0 HA MET A 1 8.884 -6.063 -3.479 1.00 70.35 H new ATOM 0 HB2 MET A 1 9.886 -4.457 -1.091 1.00 55.44 H new ATOM 0 HB3 MET A 1 10.502 -6.031 -1.552 1.00 55.44 H new ATOM 0 HG2 MET A 1 10.659 -3.482 -3.197 1.00 30.34 H new ATOM 0 HG3 MET A 1 11.984 -4.264 -2.359 1.00 30.34 H new ATOM 0 HE1 MET A 1 12.897 -4.946 -6.115 1.00 2.04 H new ATOM 0 HE2 MET A 1 12.166 -3.478 -5.424 1.00 2.04 H new ATOM 0 HE3 MET A 1 13.467 -4.320 -4.549 1.00 2.04 H new ATOM 20 N ALA A 2 6.913 -7.050 -2.162 1.00 64.34 N ATOM 21 CA ALA A 2 6.044 -7.904 -1.345 1.00 34.45 C ATOM 22 C ALA A 2 6.544 -9.355 -1.333 1.00 11.33 C ATOM 23 O ALA A 2 6.351 -10.100 -2.295 1.00 62.23 O ATOM 24 CB ALA A 2 4.608 -7.835 -1.852 1.00 11.32 C ATOM 0 H ALA A 2 6.741 -7.115 -3.165 1.00 64.34 H new ATOM 0 HA ALA A 2 6.072 -7.534 -0.320 1.00 34.45 H new ATOM 0 HB1 ALA A 2 3.974 -8.473 -1.237 1.00 11.32 H new ATOM 0 HB2 ALA A 2 4.251 -6.807 -1.796 1.00 11.32 H new ATOM 0 HB3 ALA A 2 4.571 -8.176 -2.887 1.00 11.32 H new ATOM 30 N GLN A 3 7.207 -9.745 -0.246 1.00 35.34 N ATOM 31 CA GLN A 3 7.765 -11.100 -0.121 1.00 55.51 C ATOM 32 C GLN A 3 7.357 -11.753 1.209 1.00 62.54 C ATOM 33 O GLN A 3 6.983 -11.067 2.162 1.00 54.10 O ATOM 34 CB GLN A 3 9.298 -11.055 -0.226 1.00 55.04 C ATOM 35 CG GLN A 3 9.820 -10.373 -1.490 1.00 41.14 C ATOM 36 CD GLN A 3 11.338 -10.372 -1.586 1.00 42.12 C ATOM 37 OE1 GLN A 3 11.936 -9.444 -2.117 1.00 13.21 O ATOM 38 NE2 GLN A 3 11.974 -11.422 -1.102 1.00 70.51 N ATOM 0 H GLN A 3 7.373 -9.146 0.563 1.00 35.34 H new ATOM 0 HA GLN A 3 7.362 -11.701 -0.936 1.00 55.51 H new ATOM 0 HB2 GLN A 3 9.695 -10.534 0.645 1.00 55.04 H new ATOM 0 HB3 GLN A 3 9.683 -12.074 -0.191 1.00 55.04 H new ATOM 0 HG2 GLN A 3 9.407 -10.877 -2.364 1.00 41.14 H new ATOM 0 HG3 GLN A 3 9.460 -9.345 -1.515 1.00 41.14 H new ATOM 0 HE21 GLN A 3 11.449 -12.180 -0.665 1.00 70.51 H new ATOM 0 HE22 GLN A 3 12.991 -11.476 -1.165 1.00 70.51 H new ATOM 47 N ILE A 4 7.443 -13.081 1.273 1.00 42.01 N ATOM 48 CA ILE A 4 7.086 -13.826 2.488 1.00 52.01 C ATOM 49 C ILE A 4 8.278 -13.940 3.460 1.00 72.35 C ATOM 50 O ILE A 4 9.100 -14.854 3.351 1.00 4.25 O ATOM 51 CB ILE A 4 6.570 -15.249 2.140 1.00 61.05 C ATOM 52 CG1 ILE A 4 5.382 -15.170 1.166 1.00 23.24 C ATOM 53 CG2 ILE A 4 6.182 -16.020 3.404 1.00 31.32 C ATOM 54 CD1 ILE A 4 4.180 -14.420 1.708 1.00 51.01 C ATOM 0 H ILE A 4 7.757 -13.667 0.499 1.00 42.01 H new ATOM 0 HA ILE A 4 6.291 -13.264 2.978 1.00 52.01 H new ATOM 0 HB ILE A 4 7.381 -15.791 1.653 1.00 61.05 H new ATOM 0 HG12 ILE A 4 5.713 -14.687 0.246 1.00 23.24 H new ATOM 0 HG13 ILE A 4 5.075 -16.182 0.902 1.00 23.24 H new ATOM 0 HG21 ILE A 4 5.824 -17.012 3.129 1.00 31.32 H new ATOM 0 HG22 ILE A 4 7.052 -16.115 4.054 1.00 31.32 H new ATOM 0 HG23 ILE A 4 5.393 -15.483 3.930 1.00 31.32 H new ATOM 0 HD11 ILE A 4 3.388 -14.411 0.959 1.00 51.01 H new ATOM 0 HD12 ILE A 4 3.820 -14.914 2.611 1.00 51.01 H new ATOM 0 HD13 ILE A 4 4.467 -13.395 1.945 1.00 51.01 H new ATOM 66 N ILE A 5 8.379 -12.997 4.401 1.00 12.31 N ATOM 67 CA ILE A 5 9.439 -13.026 5.424 1.00 31.50 C ATOM 68 C ILE A 5 8.919 -13.600 6.756 1.00 54.20 C ATOM 69 O ILE A 5 8.069 -13.000 7.415 1.00 10.20 O ATOM 70 CB ILE A 5 10.052 -11.615 5.687 1.00 12.34 C ATOM 71 CG1 ILE A 5 10.906 -11.140 4.493 1.00 52.21 C ATOM 72 CG2 ILE A 5 10.897 -11.611 6.966 1.00 11.34 C ATOM 73 CD1 ILE A 5 10.117 -10.817 3.244 1.00 3.41 C ATOM 0 H ILE A 5 7.743 -12.204 4.479 1.00 12.31 H new ATOM 0 HA ILE A 5 10.220 -13.674 5.026 1.00 31.50 H new ATOM 0 HB ILE A 5 9.220 -10.922 5.813 1.00 12.34 H new ATOM 0 HG12 ILE A 5 11.465 -10.254 4.793 1.00 52.21 H new ATOM 0 HG13 ILE A 5 11.637 -11.913 4.256 1.00 52.21 H new ATOM 0 HG21 ILE A 5 11.312 -10.616 7.125 1.00 11.34 H new ATOM 0 HG22 ILE A 5 10.272 -11.883 7.816 1.00 11.34 H new ATOM 0 HG23 ILE A 5 11.709 -12.331 6.868 1.00 11.34 H new ATOM 0 HD11 ILE A 5 10.798 -10.492 2.457 1.00 3.41 H new ATOM 0 HD12 ILE A 5 9.579 -11.705 2.914 1.00 3.41 H new ATOM 0 HD13 ILE A 5 9.405 -10.021 3.459 1.00 3.41 H new ATOM 85 N PHE A 6 9.422 -14.779 7.122 1.00 0.43 N ATOM 86 CA PHE A 6 9.139 -15.414 8.423 1.00 32.31 C ATOM 87 C PHE A 6 7.638 -15.699 8.660 1.00 52.32 C ATOM 88 O PHE A 6 7.245 -16.106 9.754 1.00 23.21 O ATOM 89 CB PHE A 6 9.716 -14.564 9.570 1.00 21.51 C ATOM 90 CG PHE A 6 9.749 -15.282 10.903 1.00 3.05 C ATOM 91 CD1 PHE A 6 10.556 -16.398 11.083 1.00 41.50 C ATOM 92 CD2 PHE A 6 8.977 -14.846 11.972 1.00 12.23 C ATOM 93 CE1 PHE A 6 10.593 -17.061 12.296 1.00 41.14 C ATOM 94 CE2 PHE A 6 9.011 -15.506 13.186 1.00 13.04 C ATOM 95 CZ PHE A 6 9.819 -16.614 13.348 1.00 10.55 C ATOM 0 H PHE A 6 10.041 -15.329 6.526 1.00 0.43 H new ATOM 0 HA PHE A 6 9.631 -16.386 8.403 1.00 32.31 H new ATOM 0 HB2 PHE A 6 10.728 -14.256 9.308 1.00 21.51 H new ATOM 0 HB3 PHE A 6 9.122 -13.656 9.671 1.00 21.51 H new ATOM 0 HD1 PHE A 6 11.163 -16.753 10.264 1.00 41.50 H new ATOM 0 HD2 PHE A 6 8.342 -13.980 11.853 1.00 12.23 H new ATOM 0 HE1 PHE A 6 11.226 -17.927 12.420 1.00 41.14 H new ATOM 0 HE2 PHE A 6 8.405 -15.155 14.008 1.00 13.04 H new ATOM 0 HZ PHE A 6 9.845 -17.130 14.296 1.00 10.55 H new ATOM 105 N ASN A 7 6.796 -15.504 7.645 1.00 53.02 N ATOM 106 CA ASN A 7 5.379 -15.868 7.761 1.00 52.22 C ATOM 107 C ASN A 7 5.231 -17.397 7.722 1.00 51.14 C ATOM 108 O ASN A 7 4.783 -17.974 6.728 1.00 14.24 O ATOM 109 CB ASN A 7 4.549 -15.213 6.650 1.00 33.01 C ATOM 110 CG ASN A 7 3.053 -15.402 6.857 1.00 0.14 C ATOM 111 OD1 ASN A 7 2.386 -14.572 7.466 1.00 72.54 O ATOM 112 ND2 ASN A 7 2.519 -16.504 6.372 1.00 70.44 N ATOM 0 H ASN A 7 7.062 -15.103 6.746 1.00 53.02 H new ATOM 0 HA ASN A 7 5.001 -15.500 8.715 1.00 52.22 H new ATOM 0 HB2 ASN A 7 4.776 -14.148 6.610 1.00 33.01 H new ATOM 0 HB3 ASN A 7 4.836 -15.636 5.688 1.00 33.01 H new ATOM 0 HD21 ASN A 7 1.523 -16.687 6.498 1.00 70.44 H new ATOM 0 HD22 ASN A 7 3.101 -17.175 5.870 1.00 70.44 H new ATOM 119 N GLU A 8 5.651 -18.044 8.806 1.00 33.05 N ATOM 120 CA GLU A 8 5.679 -19.506 8.891 1.00 14.14 C ATOM 121 C GLU A 8 5.109 -20.000 10.228 1.00 23.32 C ATOM 122 O GLU A 8 4.554 -19.225 11.011 1.00 42.00 O ATOM 123 CB GLU A 8 7.124 -20.018 8.733 1.00 72.44 C ATOM 124 CG GLU A 8 7.772 -19.682 7.394 1.00 33.24 C ATOM 125 CD GLU A 8 9.195 -20.213 7.288 1.00 63.35 C ATOM 126 OE1 GLU A 8 9.365 -21.417 7.000 1.00 30.32 O ATOM 127 OE2 GLU A 8 10.150 -19.435 7.502 1.00 2.34 O ATOM 0 H GLU A 8 5.981 -17.574 9.649 1.00 33.05 H new ATOM 0 HA GLU A 8 5.058 -19.897 8.085 1.00 14.14 H new ATOM 0 HB2 GLU A 8 7.734 -19.598 9.533 1.00 72.44 H new ATOM 0 HB3 GLU A 8 7.129 -21.100 8.863 1.00 72.44 H new ATOM 0 HG2 GLU A 8 7.170 -20.100 6.587 1.00 33.24 H new ATOM 0 HG3 GLU A 8 7.780 -18.600 7.258 1.00 33.24 H new ATOM 134 N GLU A 9 5.262 -21.298 10.478 1.00 4.51 N ATOM 135 CA GLU A 9 4.775 -21.923 11.708 1.00 70.53 C ATOM 136 C GLU A 9 5.650 -23.143 12.063 1.00 42.30 C ATOM 137 O GLU A 9 5.646 -24.150 11.351 1.00 14.23 O ATOM 138 CB GLU A 9 3.308 -22.342 11.526 1.00 53.03 C ATOM 139 CG GLU A 9 2.616 -22.793 12.808 1.00 1.40 C ATOM 140 CD GLU A 9 2.323 -21.649 13.769 1.00 12.15 C ATOM 141 OE1 GLU A 9 1.405 -20.850 13.482 1.00 11.05 O ATOM 142 OE2 GLU A 9 2.991 -21.556 14.821 1.00 2.13 O ATOM 0 H GLU A 9 5.724 -21.944 9.839 1.00 4.51 H new ATOM 0 HA GLU A 9 4.837 -21.207 12.528 1.00 70.53 H new ATOM 0 HB2 GLU A 9 2.753 -21.504 11.104 1.00 53.03 H new ATOM 0 HB3 GLU A 9 3.262 -23.153 10.799 1.00 53.03 H new ATOM 0 HG2 GLU A 9 1.681 -23.292 12.552 1.00 1.40 H new ATOM 0 HG3 GLU A 9 3.243 -23.529 13.311 1.00 1.40 H new ATOM 149 N TRP A 10 6.416 -23.042 13.147 1.00 72.45 N ATOM 150 CA TRP A 10 7.350 -24.110 13.551 1.00 11.31 C ATOM 151 C TRP A 10 7.004 -24.648 14.949 1.00 75.22 C ATOM 152 O TRP A 10 6.602 -23.885 15.829 1.00 4.21 O ATOM 153 CB TRP A 10 8.795 -23.585 13.535 1.00 11.21 C ATOM 154 CG TRP A 10 9.331 -23.292 12.158 1.00 73.24 C ATOM 155 CD1 TRP A 10 8.884 -22.343 11.277 1.00 51.20 C ATOM 156 CD2 TRP A 10 10.431 -23.949 11.511 1.00 51.40 C ATOM 157 NE1 TRP A 10 9.632 -22.380 10.123 1.00 54.30 N ATOM 158 CE2 TRP A 10 10.587 -23.354 10.245 1.00 43.12 C ATOM 159 CE3 TRP A 10 11.296 -24.985 11.880 1.00 42.11 C ATOM 160 CZ2 TRP A 10 11.572 -23.758 9.347 1.00 43.35 C ATOM 161 CZ3 TRP A 10 12.276 -25.384 10.987 1.00 52.15 C ATOM 162 CH2 TRP A 10 12.405 -24.772 9.733 1.00 33.24 C ATOM 0 H TRP A 10 6.414 -22.233 13.768 1.00 72.45 H new ATOM 0 HA TRP A 10 7.257 -24.928 12.837 1.00 11.31 H new ATOM 0 HB2 TRP A 10 8.846 -22.675 14.133 1.00 11.21 H new ATOM 0 HB3 TRP A 10 9.442 -24.319 14.016 1.00 11.21 H new ATOM 0 HD1 TRP A 10 8.064 -21.665 11.461 1.00 51.20 H new ATOM 0 HE1 TRP A 10 9.497 -21.780 9.309 1.00 54.30 H new ATOM 0 HE3 TRP A 10 11.201 -25.464 12.843 1.00 42.11 H new ATOM 0 HZ2 TRP A 10 11.674 -23.287 8.380 1.00 43.35 H new ATOM 0 HZ3 TRP A 10 12.952 -26.180 11.261 1.00 52.15 H new ATOM 0 HH2 TRP A 10 13.178 -25.108 9.058 1.00 33.24 H new ATOM 173 N MET A 11 7.166 -25.960 15.157 1.00 41.33 N ATOM 174 CA MET A 11 6.793 -26.583 16.438 1.00 3.50 C ATOM 175 C MET A 11 7.393 -27.990 16.610 1.00 52.40 C ATOM 176 O MET A 11 7.981 -28.552 15.685 1.00 30.42 O ATOM 177 CB MET A 11 5.267 -26.659 16.539 1.00 73.02 C ATOM 178 CG MET A 11 4.633 -27.574 15.501 1.00 51.45 C ATOM 179 SD MET A 11 2.857 -27.304 15.343 1.00 31.04 S ATOM 180 CE MET A 11 2.851 -25.633 14.702 1.00 62.34 C ATOM 0 H MET A 11 7.548 -26.606 14.466 1.00 41.33 H new ATOM 0 HA MET A 11 7.200 -25.961 17.235 1.00 3.50 H new ATOM 0 HB2 MET A 11 4.994 -27.009 17.535 1.00 73.02 H new ATOM 0 HB3 MET A 11 4.853 -25.657 16.429 1.00 73.02 H new ATOM 0 HG2 MET A 11 5.110 -27.409 14.535 1.00 51.45 H new ATOM 0 HG3 MET A 11 4.817 -28.613 15.775 1.00 51.45 H new ATOM 0 HE1 MET A 11 1.948 -25.472 14.113 1.00 62.34 H new ATOM 0 HE2 MET A 11 2.874 -24.925 15.531 1.00 62.34 H new ATOM 0 HE3 MET A 11 3.727 -25.482 14.071 1.00 62.34 H new ATOM 190 N VAL A 12 7.239 -28.548 17.812 1.00 12.24 N ATOM 191 CA VAL A 12 7.669 -29.922 18.101 1.00 4.44 C ATOM 192 C VAL A 12 6.526 -30.929 17.864 1.00 10.24 C ATOM 193 O VAL A 12 5.417 -30.543 17.503 1.00 32.35 O ATOM 194 CB VAL A 12 8.176 -30.056 19.560 1.00 23.23 C ATOM 195 CG1 VAL A 12 9.395 -29.167 19.793 1.00 23.54 C ATOM 196 CG2 VAL A 12 7.063 -29.722 20.555 1.00 34.33 C ATOM 0 H VAL A 12 6.817 -28.068 18.607 1.00 12.24 H new ATOM 0 HA VAL A 12 8.487 -30.149 17.418 1.00 4.44 H new ATOM 0 HB VAL A 12 8.475 -31.092 19.721 1.00 23.23 H new ATOM 0 HG11 VAL A 12 9.734 -29.277 20.823 1.00 23.54 H new ATOM 0 HG12 VAL A 12 10.195 -29.462 19.114 1.00 23.54 H new ATOM 0 HG13 VAL A 12 9.127 -28.127 19.608 1.00 23.54 H new ATOM 0 HG21 VAL A 12 7.442 -29.823 21.572 1.00 34.33 H new ATOM 0 HG22 VAL A 12 6.726 -28.698 20.393 1.00 34.33 H new ATOM 0 HG23 VAL A 12 6.227 -30.407 20.410 1.00 34.33 H new ATOM 206 N GLU A 13 6.800 -32.214 18.095 1.00 2.35 N ATOM 207 CA GLU A 13 5.812 -33.284 17.865 1.00 3.40 C ATOM 208 C GLU A 13 4.511 -33.065 18.656 1.00 52.43 C ATOM 209 O GLU A 13 3.423 -32.987 18.078 1.00 24.25 O ATOM 210 CB GLU A 13 6.418 -34.640 18.248 1.00 34.14 C ATOM 211 CG GLU A 13 5.432 -35.803 18.209 1.00 2.25 C ATOM 212 CD GLU A 13 6.031 -37.090 18.756 1.00 34.51 C ATOM 213 OE1 GLU A 13 6.118 -37.234 19.993 1.00 21.21 O ATOM 214 OE2 GLU A 13 6.442 -37.947 17.956 1.00 0.42 O ATOM 0 H GLU A 13 7.700 -32.546 18.443 1.00 2.35 H new ATOM 0 HA GLU A 13 5.559 -33.266 16.805 1.00 3.40 H new ATOM 0 HB2 GLU A 13 7.246 -34.858 17.573 1.00 34.14 H new ATOM 0 HB3 GLU A 13 6.836 -34.567 19.252 1.00 34.14 H new ATOM 0 HG2 GLU A 13 4.545 -35.544 18.788 1.00 2.25 H new ATOM 0 HG3 GLU A 13 5.106 -35.965 17.182 1.00 2.25 H new ATOM 221 N LYS A 14 4.629 -32.970 19.978 1.00 4.44 N ATOM 222 CA LYS A 14 3.457 -32.868 20.854 1.00 21.55 C ATOM 223 C LYS A 14 2.639 -31.598 20.561 1.00 12.42 C ATOM 224 O LYS A 14 1.426 -31.581 20.743 1.00 60.24 O ATOM 225 CB LYS A 14 3.896 -32.932 22.327 1.00 30.30 C ATOM 226 CG LYS A 14 2.748 -33.131 23.326 1.00 14.41 C ATOM 227 CD LYS A 14 2.213 -31.809 23.869 1.00 32.24 C ATOM 228 CE LYS A 14 3.262 -31.084 24.703 1.00 23.03 C ATOM 229 NZ LYS A 14 2.722 -29.847 25.320 1.00 53.45 N ATOM 0 H LYS A 14 5.523 -32.961 20.469 1.00 4.44 H new ATOM 0 HA LYS A 14 2.801 -33.715 20.653 1.00 21.55 H new ATOM 0 HB2 LYS A 14 4.609 -33.748 22.445 1.00 30.30 H new ATOM 0 HB3 LYS A 14 4.422 -32.010 22.576 1.00 30.30 H new ATOM 0 HG2 LYS A 14 1.938 -33.676 22.841 1.00 14.41 H new ATOM 0 HG3 LYS A 14 3.095 -33.748 24.155 1.00 14.41 H new ATOM 0 HD2 LYS A 14 1.902 -31.173 23.040 1.00 32.24 H new ATOM 0 HD3 LYS A 14 1.328 -31.996 24.477 1.00 32.24 H new ATOM 0 HE2 LYS A 14 3.627 -31.750 25.485 1.00 23.03 H new ATOM 0 HE3 LYS A 14 4.116 -30.833 24.074 1.00 23.03 H new ATOM 0 HZ1 LYS A 14 3.467 -29.384 25.879 1.00 53.45 H new ATOM 0 HZ2 LYS A 14 2.396 -29.200 24.573 1.00 53.45 H new ATOM 0 HZ3 LYS A 14 1.924 -30.089 25.941 1.00 53.45 H new ATOM 243 N ALA A 15 3.299 -30.544 20.089 1.00 51.35 N ATOM 244 CA ALA A 15 2.594 -29.322 19.673 1.00 10.14 C ATOM 245 C ALA A 15 1.965 -29.491 18.279 1.00 21.14 C ATOM 246 O ALA A 15 0.865 -29.002 18.010 1.00 15.42 O ATOM 247 CB ALA A 15 3.547 -28.133 19.683 1.00 54.14 C ATOM 0 H ALA A 15 4.313 -30.505 19.983 1.00 51.35 H new ATOM 0 HA ALA A 15 1.790 -29.137 20.385 1.00 10.14 H new ATOM 0 HB1 ALA A 15 3.012 -27.235 19.373 1.00 54.14 H new ATOM 0 HB2 ALA A 15 3.941 -27.991 20.689 1.00 54.14 H new ATOM 0 HB3 ALA A 15 4.370 -28.321 18.994 1.00 54.14 H new ATOM 253 N LEU A 16 2.675 -30.201 17.406 1.00 50.11 N ATOM 254 CA LEU A 16 2.228 -30.449 16.031 1.00 11.13 C ATOM 255 C LEU A 16 0.906 -31.233 16.014 1.00 2.20 C ATOM 256 O LEU A 16 -0.052 -30.843 15.338 1.00 72.31 O ATOM 257 CB LEU A 16 3.339 -31.212 15.275 1.00 3.44 C ATOM 258 CG LEU A 16 3.176 -31.375 13.746 1.00 61.41 C ATOM 259 CD1 LEU A 16 2.177 -32.474 13.393 1.00 25.34 C ATOM 260 CD2 LEU A 16 2.773 -30.049 13.100 1.00 53.41 C ATOM 0 H LEU A 16 3.577 -30.622 17.628 1.00 50.11 H new ATOM 0 HA LEU A 16 2.042 -29.498 15.533 1.00 11.13 H new ATOM 0 HB2 LEU A 16 4.284 -30.702 15.461 1.00 3.44 H new ATOM 0 HB3 LEU A 16 3.422 -32.207 15.713 1.00 3.44 H new ATOM 0 HG LEU A 16 4.144 -31.676 13.347 1.00 61.41 H new ATOM 0 HD11 LEU A 16 2.093 -32.555 12.309 1.00 25.34 H new ATOM 0 HD12 LEU A 16 2.521 -33.424 13.802 1.00 25.34 H new ATOM 0 HD13 LEU A 16 1.202 -32.229 13.815 1.00 25.34 H new ATOM 0 HD21 LEU A 16 2.664 -30.187 12.024 1.00 53.41 H new ATOM 0 HD22 LEU A 16 1.825 -29.712 13.521 1.00 53.41 H new ATOM 0 HD23 LEU A 16 3.542 -29.301 13.294 1.00 53.41 H new ATOM 272 N MET A 17 0.859 -32.332 16.766 1.00 54.13 N ATOM 273 CA MET A 17 -0.334 -33.192 16.815 1.00 32.12 C ATOM 274 C MET A 17 -1.596 -32.407 17.223 1.00 51.04 C ATOM 275 O MET A 17 -2.687 -32.663 16.713 1.00 0.02 O ATOM 276 CB MET A 17 -0.114 -34.367 17.784 1.00 32.34 C ATOM 277 CG MET A 17 0.066 -33.948 19.240 1.00 45.25 C ATOM 278 SD MET A 17 0.256 -35.350 20.359 1.00 33.12 S ATOM 279 CE MET A 17 1.799 -36.052 19.778 1.00 74.11 C ATOM 0 H MET A 17 1.631 -32.652 17.351 1.00 54.13 H new ATOM 0 HA MET A 17 -0.492 -33.578 15.808 1.00 32.12 H new ATOM 0 HB2 MET A 17 -0.964 -35.045 17.715 1.00 32.34 H new ATOM 0 HB3 MET A 17 0.766 -34.926 17.466 1.00 32.34 H new ATOM 0 HG2 MET A 17 0.942 -33.304 19.321 1.00 45.25 H new ATOM 0 HG3 MET A 17 -0.795 -33.356 19.551 1.00 45.25 H new ATOM 0 HE1 MET A 17 2.357 -36.455 20.624 1.00 74.11 H new ATOM 0 HE2 MET A 17 1.590 -36.851 19.067 1.00 74.11 H new ATOM 0 HE3 MET A 17 2.390 -35.277 19.289 1.00 74.11 H new ATOM 289 N VAL A 18 -1.432 -31.438 18.124 1.00 75.44 N ATOM 290 CA VAL A 18 -2.560 -30.649 18.639 1.00 2.15 C ATOM 291 C VAL A 18 -3.209 -29.778 17.545 1.00 15.44 C ATOM 292 O VAL A 18 -4.435 -29.702 17.443 1.00 74.30 O ATOM 293 CB VAL A 18 -2.110 -29.737 19.813 1.00 63.54 C ATOM 294 CG1 VAL A 18 -3.281 -28.918 20.360 1.00 44.10 C ATOM 295 CG2 VAL A 18 -1.464 -30.566 20.923 1.00 23.01 C ATOM 0 H VAL A 18 -0.527 -31.177 18.516 1.00 75.44 H new ATOM 0 HA VAL A 18 -3.301 -31.366 18.993 1.00 2.15 H new ATOM 0 HB VAL A 18 -1.367 -29.039 19.428 1.00 63.54 H new ATOM 0 HG11 VAL A 18 -2.934 -28.290 21.180 1.00 44.10 H new ATOM 0 HG12 VAL A 18 -3.686 -28.289 19.568 1.00 44.10 H new ATOM 0 HG13 VAL A 18 -4.058 -29.591 20.722 1.00 44.10 H new ATOM 0 HG21 VAL A 18 -1.156 -29.908 21.736 1.00 23.01 H new ATOM 0 HG22 VAL A 18 -2.183 -31.295 21.298 1.00 23.01 H new ATOM 0 HG23 VAL A 18 -0.592 -31.087 20.527 1.00 23.01 H new ATOM 305 N ARG A 19 -2.384 -29.129 16.726 1.00 12.01 N ATOM 306 CA ARG A 19 -2.885 -28.197 15.704 1.00 62.43 C ATOM 307 C ARG A 19 -3.279 -28.921 14.403 1.00 40.35 C ATOM 308 O ARG A 19 -4.011 -28.375 13.574 1.00 70.24 O ATOM 309 CB ARG A 19 -1.822 -27.133 15.401 1.00 12.52 C ATOM 310 CG ARG A 19 -1.241 -26.468 16.647 1.00 32.41 C ATOM 311 CD ARG A 19 -0.291 -25.335 16.284 1.00 21.43 C ATOM 312 NE ARG A 19 0.459 -24.850 17.441 1.00 4.40 N ATOM 313 CZ ARG A 19 1.282 -23.839 17.407 1.00 20.23 C ATOM 314 NH1 ARG A 19 1.407 -23.132 16.328 1.00 52.14 N ATOM 315 NH2 ARG A 19 1.956 -23.523 18.465 1.00 2.51 N ATOM 0 H ARG A 19 -1.369 -29.227 16.745 1.00 12.01 H new ATOM 0 HA ARG A 19 -3.782 -27.724 16.105 1.00 62.43 H new ATOM 0 HB2 ARG A 19 -1.012 -27.593 14.835 1.00 12.52 H new ATOM 0 HB3 ARG A 19 -2.261 -26.366 14.763 1.00 12.52 H new ATOM 0 HG2 ARG A 19 -2.051 -26.081 17.265 1.00 32.41 H new ATOM 0 HG3 ARG A 19 -0.712 -27.211 17.244 1.00 32.41 H new ATOM 0 HD2 ARG A 19 0.406 -25.679 15.520 1.00 21.43 H new ATOM 0 HD3 ARG A 19 -0.859 -24.512 15.851 1.00 21.43 H new ATOM 0 HE ARG A 19 0.331 -25.332 18.330 1.00 4.40 H new ATOM 0 HH11 ARG A 19 0.860 -23.365 15.499 1.00 52.14 H new ATOM 0 HH12 ARG A 19 2.052 -22.342 16.308 1.00 52.14 H new ATOM 0 HH21 ARG A 19 1.843 -24.064 19.322 1.00 2.51 H new ATOM 0 HH22 ARG A 19 2.601 -22.733 18.442 1.00 2.51 H new ATOM 329 N THR A 20 -2.782 -30.143 14.223 1.00 3.31 N ATOM 330 CA THR A 20 -3.052 -30.925 13.004 1.00 35.32 C ATOM 331 C THR A 20 -4.146 -31.979 13.218 1.00 12.21 C ATOM 332 O THR A 20 -4.836 -32.368 12.275 1.00 10.11 O ATOM 333 CB THR A 20 -1.779 -31.642 12.503 1.00 63.13 C ATOM 334 OG1 THR A 20 -1.272 -32.512 13.529 1.00 12.21 O ATOM 335 CG2 THR A 20 -0.702 -30.636 12.098 1.00 13.11 C ATOM 0 H THR A 20 -2.189 -30.619 14.903 1.00 3.31 H new ATOM 0 HA THR A 20 -3.393 -30.206 12.259 1.00 35.32 H new ATOM 0 HB THR A 20 -2.044 -32.230 11.624 1.00 63.13 H new ATOM 0 HG1 THR A 20 -0.874 -31.975 14.246 1.00 12.21 H new ATOM 0 HG21 THR A 20 0.182 -31.170 11.750 1.00 13.11 H new ATOM 0 HG22 THR A 20 -1.081 -30.000 11.298 1.00 13.11 H new ATOM 0 HG23 THR A 20 -0.438 -30.020 12.957 1.00 13.11 H new ATOM 343 N GLY A 21 -4.301 -32.442 14.456 1.00 53.33 N ATOM 344 CA GLY A 21 -5.282 -33.481 14.755 1.00 35.43 C ATOM 345 C GLY A 21 -4.718 -34.896 14.626 1.00 72.13 C ATOM 346 O GLY A 21 -5.462 -35.849 14.383 1.00 42.03 O ATOM 0 H GLY A 21 -3.765 -32.118 15.261 1.00 53.33 H new ATOM 0 HA2 GLY A 21 -5.657 -33.337 15.768 1.00 35.43 H new ATOM 0 HA3 GLY A 21 -6.133 -33.373 14.082 1.00 35.43 H new ATOM 350 N LEU A 22 -3.400 -35.026 14.777 1.00 61.12 N ATOM 351 CA LEU A 22 -2.721 -36.331 14.708 1.00 42.10 C ATOM 352 C LEU A 22 -2.361 -36.859 16.109 1.00 75.52 C ATOM 353 O LEU A 22 -2.658 -36.228 17.125 1.00 14.10 O ATOM 354 CB LEU A 22 -1.438 -36.226 13.858 1.00 13.50 C ATOM 355 CG LEU A 22 -1.625 -36.293 12.329 1.00 71.54 C ATOM 356 CD1 LEU A 22 -2.542 -35.180 11.824 1.00 35.41 C ATOM 357 CD2 LEU A 22 -0.271 -36.231 11.622 1.00 45.42 C ATOM 0 H LEU A 22 -2.773 -34.240 14.949 1.00 61.12 H new ATOM 0 HA LEU A 22 -3.414 -37.032 14.243 1.00 42.10 H new ATOM 0 HB2 LEU A 22 -0.942 -35.286 14.101 1.00 13.50 H new ATOM 0 HB3 LEU A 22 -0.763 -37.029 14.156 1.00 13.50 H new ATOM 0 HG LEU A 22 -2.102 -37.245 12.096 1.00 71.54 H new ATOM 0 HD11 LEU A 22 -2.650 -35.260 10.742 1.00 35.41 H new ATOM 0 HD12 LEU A 22 -3.521 -35.274 12.294 1.00 35.41 H new ATOM 0 HD13 LEU A 22 -2.110 -34.211 12.075 1.00 35.41 H new ATOM 0 HD21 LEU A 22 -0.421 -36.279 10.543 1.00 45.42 H new ATOM 0 HD22 LEU A 22 0.230 -35.297 11.877 1.00 45.42 H new ATOM 0 HD23 LEU A 22 0.345 -37.072 11.941 1.00 45.42 H new ATOM 369 N GLY A 23 -1.721 -38.026 16.144 1.00 35.25 N ATOM 370 CA GLY A 23 -1.207 -38.584 17.392 1.00 72.42 C ATOM 371 C GLY A 23 0.264 -38.972 17.281 1.00 24.21 C ATOM 372 O GLY A 23 0.788 -39.107 16.174 1.00 71.34 O ATOM 0 H GLY A 23 -1.546 -38.604 15.322 1.00 35.25 H new ATOM 0 HA2 GLY A 23 -1.330 -37.855 18.193 1.00 72.42 H new ATOM 0 HA3 GLY A 23 -1.794 -39.461 17.666 1.00 72.42 H new ATOM 376 N ALA A 24 0.929 -39.168 18.422 1.00 55.23 N ATOM 377 CA ALA A 24 2.369 -39.480 18.446 1.00 54.23 C ATOM 378 C ALA A 24 2.709 -40.717 17.597 1.00 54.23 C ATOM 379 O ALA A 24 3.651 -40.699 16.798 1.00 64.31 O ATOM 380 CB ALA A 24 2.839 -39.675 19.885 1.00 50.34 C ATOM 0 H ALA A 24 0.497 -39.117 19.345 1.00 55.23 H new ATOM 0 HA ALA A 24 2.896 -38.634 18.006 1.00 54.23 H new ATOM 0 HB1 ALA A 24 3.904 -39.905 19.892 1.00 50.34 H new ATOM 0 HB2 ALA A 24 2.661 -38.762 20.453 1.00 50.34 H new ATOM 0 HB3 ALA A 24 2.287 -40.498 20.340 1.00 50.34 H new ATOM 386 N ARG A 25 1.921 -41.778 17.756 1.00 21.33 N ATOM 387 CA ARG A 25 2.132 -43.026 17.013 1.00 42.15 C ATOM 388 C ARG A 25 1.933 -42.801 15.497 1.00 25.30 C ATOM 389 O ARG A 25 2.613 -43.411 14.667 1.00 32.33 O ATOM 390 CB ARG A 25 1.177 -44.116 17.549 1.00 65.12 C ATOM 391 CG ARG A 25 1.569 -45.559 17.195 1.00 45.35 C ATOM 392 CD ARG A 25 1.213 -45.934 15.758 1.00 14.51 C ATOM 393 NE ARG A 25 1.685 -47.272 15.401 1.00 32.14 N ATOM 394 CZ ARG A 25 1.861 -47.688 14.176 1.00 54.14 C ATOM 395 NH1 ARG A 25 1.598 -46.921 13.167 1.00 52.43 N ATOM 396 NH2 ARG A 25 2.297 -48.881 13.960 1.00 72.13 N ATOM 0 H ARG A 25 1.126 -41.802 18.395 1.00 21.33 H new ATOM 0 HA ARG A 25 3.159 -43.361 17.160 1.00 42.15 H new ATOM 0 HB2 ARG A 25 1.122 -44.027 18.634 1.00 65.12 H new ATOM 0 HB3 ARG A 25 0.177 -43.923 17.162 1.00 65.12 H new ATOM 0 HG2 ARG A 25 2.641 -45.686 17.344 1.00 45.35 H new ATOM 0 HG3 ARG A 25 1.069 -46.245 17.879 1.00 45.35 H new ATOM 0 HD2 ARG A 25 0.132 -45.886 15.629 1.00 14.51 H new ATOM 0 HD3 ARG A 25 1.648 -45.204 15.076 1.00 14.51 H new ATOM 0 HE ARG A 25 1.890 -47.923 16.159 1.00 32.14 H new ATOM 0 HH11 ARG A 25 1.248 -45.976 13.323 1.00 52.43 H new ATOM 0 HH12 ARG A 25 1.741 -47.262 12.216 1.00 52.43 H new ATOM 0 HH21 ARG A 25 2.504 -49.498 14.745 1.00 72.13 H new ATOM 0 HH22 ARG A 25 2.435 -49.208 13.004 1.00 72.13 H new ATOM 410 N GLN A 26 1.004 -41.915 15.143 1.00 65.44 N ATOM 411 CA GLN A 26 0.746 -41.588 13.735 1.00 60.11 C ATOM 412 C GLN A 26 1.906 -40.770 13.139 1.00 63.34 C ATOM 413 O GLN A 26 2.344 -41.019 12.015 1.00 4.34 O ATOM 414 CB GLN A 26 -0.572 -40.808 13.602 1.00 23.35 C ATOM 415 CG GLN A 26 -1.102 -40.730 12.172 1.00 5.42 C ATOM 416 CD GLN A 26 -2.379 -39.911 12.054 1.00 21.11 C ATOM 417 OE1 GLN A 26 -3.161 -39.809 12.994 1.00 72.21 O ATOM 418 NE2 GLN A 26 -2.610 -39.335 10.892 1.00 72.25 N ATOM 0 H GLN A 26 0.417 -41.410 15.807 1.00 65.44 H new ATOM 0 HA GLN A 26 0.664 -42.522 13.179 1.00 60.11 H new ATOM 0 HB2 GLN A 26 -1.326 -41.277 14.234 1.00 23.35 H new ATOM 0 HB3 GLN A 26 -0.424 -39.796 13.980 1.00 23.35 H new ATOM 0 HG2 GLN A 26 -0.337 -40.294 11.530 1.00 5.42 H new ATOM 0 HG3 GLN A 26 -1.289 -41.739 11.804 1.00 5.42 H new ATOM 0 HE21 GLN A 26 -1.940 -39.438 10.129 1.00 72.25 H new ATOM 0 HE22 GLN A 26 -3.458 -38.786 10.755 1.00 72.25 H new ATOM 427 N ILE A 27 2.407 -39.805 13.910 1.00 72.24 N ATOM 428 CA ILE A 27 3.508 -38.939 13.464 1.00 74.43 C ATOM 429 C ILE A 27 4.812 -39.731 13.262 1.00 53.34 C ATOM 430 O ILE A 27 5.454 -39.627 12.212 1.00 53.52 O ATOM 431 CB ILE A 27 3.760 -37.782 14.466 1.00 41.23 C ATOM 432 CG1 ILE A 27 2.499 -36.908 14.601 1.00 4.30 C ATOM 433 CG2 ILE A 27 4.963 -36.935 14.032 1.00 14.04 C ATOM 434 CD1 ILE A 27 2.633 -35.776 15.601 1.00 52.35 C ATOM 0 H ILE A 27 2.069 -39.600 14.850 1.00 72.24 H new ATOM 0 HA ILE A 27 3.202 -38.520 12.505 1.00 74.43 H new ATOM 0 HB ILE A 27 3.988 -38.215 15.440 1.00 41.23 H new ATOM 0 HG12 ILE A 27 2.255 -36.489 13.625 1.00 4.30 H new ATOM 0 HG13 ILE A 27 1.662 -37.541 14.895 1.00 4.30 H new ATOM 0 HG21 ILE A 27 5.120 -36.130 14.750 1.00 14.04 H new ATOM 0 HG22 ILE A 27 5.853 -37.562 13.990 1.00 14.04 H new ATOM 0 HG23 ILE A 27 4.772 -36.510 13.047 1.00 14.04 H new ATOM 0 HD11 ILE A 27 1.703 -35.209 15.636 1.00 52.35 H new ATOM 0 HD12 ILE A 27 2.845 -36.186 16.588 1.00 52.35 H new ATOM 0 HD13 ILE A 27 3.448 -35.118 15.299 1.00 52.35 H new ATOM 446 N GLU A 28 5.203 -40.523 14.265 1.00 62.43 N ATOM 447 CA GLU A 28 6.428 -41.332 14.172 1.00 73.01 C ATOM 448 C GLU A 28 6.375 -42.282 12.964 1.00 23.02 C ATOM 449 O GLU A 28 7.404 -42.609 12.371 1.00 25.02 O ATOM 450 CB GLU A 28 6.665 -42.136 15.463 1.00 74.41 C ATOM 451 CG GLU A 28 5.637 -43.229 15.721 1.00 54.41 C ATOM 452 CD GLU A 28 6.003 -44.104 16.909 1.00 71.34 C ATOM 453 OE1 GLU A 28 6.858 -45.001 16.747 1.00 64.22 O ATOM 454 OE2 GLU A 28 5.453 -43.894 18.009 1.00 64.23 O ATOM 0 H GLU A 28 4.696 -40.623 15.144 1.00 62.43 H new ATOM 0 HA GLU A 28 7.261 -40.643 14.036 1.00 73.01 H new ATOM 0 HB2 GLU A 28 7.655 -42.589 15.418 1.00 74.41 H new ATOM 0 HB3 GLU A 28 6.667 -41.449 16.309 1.00 74.41 H new ATOM 0 HG2 GLU A 28 4.663 -42.773 15.896 1.00 54.41 H new ATOM 0 HG3 GLU A 28 5.542 -43.851 14.831 1.00 54.41 H new ATOM 461 N SER A 29 5.166 -42.713 12.604 1.00 71.31 N ATOM 462 CA SER A 29 4.954 -43.540 11.408 1.00 60.14 C ATOM 463 C SER A 29 5.357 -42.785 10.132 1.00 54.44 C ATOM 464 O SER A 29 5.938 -43.364 9.209 1.00 55.45 O ATOM 465 CB SER A 29 3.485 -43.976 11.311 1.00 54.42 C ATOM 466 OG SER A 29 3.233 -44.696 10.113 1.00 42.13 O ATOM 0 H SER A 29 4.313 -42.504 13.123 1.00 71.31 H new ATOM 0 HA SER A 29 5.585 -44.424 11.500 1.00 60.14 H new ATOM 0 HB2 SER A 29 3.231 -44.597 12.170 1.00 54.42 H new ATOM 0 HB3 SER A 29 2.840 -43.098 11.351 1.00 54.42 H new ATOM 0 HG SER A 29 2.290 -44.960 10.082 1.00 42.13 H new ATOM 472 N TYR A 30 5.052 -41.486 10.088 1.00 61.24 N ATOM 473 CA TYR A 30 5.406 -40.639 8.941 1.00 14.41 C ATOM 474 C TYR A 30 6.906 -40.292 8.932 1.00 25.31 C ATOM 475 O TYR A 30 7.509 -40.124 7.869 1.00 61.45 O ATOM 476 CB TYR A 30 4.576 -39.349 8.950 1.00 25.03 C ATOM 477 CG TYR A 30 3.076 -39.569 8.840 1.00 1.34 C ATOM 478 CD1 TYR A 30 2.545 -40.438 7.892 1.00 51.34 C ATOM 479 CD2 TYR A 30 2.192 -38.903 9.682 1.00 0.01 C ATOM 480 CE1 TYR A 30 1.180 -40.636 7.788 1.00 0.22 C ATOM 481 CE2 TYR A 30 0.829 -39.096 9.582 1.00 45.12 C ATOM 482 CZ TYR A 30 0.327 -39.962 8.636 1.00 33.43 C ATOM 483 OH TYR A 30 -1.033 -40.155 8.539 1.00 12.22 O ATOM 0 H TYR A 30 4.560 -40.995 10.834 1.00 61.24 H new ATOM 0 HA TYR A 30 5.183 -41.206 8.037 1.00 14.41 H new ATOM 0 HB2 TYR A 30 4.785 -38.803 9.870 1.00 25.03 H new ATOM 0 HB3 TYR A 30 4.900 -38.717 8.124 1.00 25.03 H new ATOM 0 HD1 TYR A 30 3.210 -40.967 7.226 1.00 51.34 H new ATOM 0 HD2 TYR A 30 2.579 -38.223 10.427 1.00 0.01 H new ATOM 0 HE1 TYR A 30 0.785 -41.315 7.047 1.00 0.22 H new ATOM 0 HE2 TYR A 30 0.158 -38.569 10.244 1.00 45.12 H new ATOM 0 HH TYR A 30 -1.212 -41.063 8.218 1.00 12.22 H new ATOM 493 N ARG A 31 7.508 -40.195 10.121 1.00 5.31 N ATOM 494 CA ARG A 31 8.944 -39.885 10.245 1.00 20.50 C ATOM 495 C ARG A 31 9.831 -40.995 9.655 1.00 63.05 C ATOM 496 O ARG A 31 11.041 -40.819 9.495 1.00 52.54 O ATOM 497 CB ARG A 31 9.331 -39.646 11.711 1.00 60.54 C ATOM 498 CG ARG A 31 8.648 -38.439 12.345 1.00 23.40 C ATOM 499 CD ARG A 31 9.278 -38.066 13.684 1.00 4.42 C ATOM 500 NE ARG A 31 9.235 -39.163 14.643 1.00 74.31 N ATOM 501 CZ ARG A 31 8.827 -39.038 15.875 1.00 22.14 C ATOM 502 NH1 ARG A 31 8.499 -37.881 16.347 1.00 2.43 N ATOM 503 NH2 ARG A 31 8.786 -40.071 16.645 1.00 42.12 N ATOM 0 H ARG A 31 7.029 -40.325 11.012 1.00 5.31 H new ATOM 0 HA ARG A 31 9.115 -38.973 9.672 1.00 20.50 H new ATOM 0 HB2 ARG A 31 9.085 -40.536 12.291 1.00 60.54 H new ATOM 0 HB3 ARG A 31 10.411 -39.514 11.774 1.00 60.54 H new ATOM 0 HG2 ARG A 31 8.710 -37.589 11.666 1.00 23.40 H new ATOM 0 HG3 ARG A 31 7.590 -38.655 12.490 1.00 23.40 H new ATOM 0 HD2 ARG A 31 10.314 -37.767 13.524 1.00 4.42 H new ATOM 0 HD3 ARG A 31 8.758 -37.203 14.100 1.00 4.42 H new ATOM 0 HE ARG A 31 9.543 -40.084 14.331 1.00 74.31 H new ATOM 0 HH11 ARG A 31 8.558 -37.053 15.754 1.00 2.43 H new ATOM 0 HH12 ARG A 31 8.181 -37.795 17.312 1.00 2.43 H new ATOM 0 HH21 ARG A 31 9.072 -40.983 16.290 1.00 42.12 H new ATOM 0 HH22 ARG A 31 8.467 -39.976 17.609 1.00 42.12 H new ATOM 517 N GLN A 32 9.224 -42.134 9.345 1.00 34.55 N ATOM 518 CA GLN A 32 9.945 -43.285 8.794 1.00 24.40 C ATOM 519 C GLN A 32 9.966 -43.267 7.253 1.00 74.14 C ATOM 520 O GLN A 32 10.359 -44.248 6.619 1.00 4.23 O ATOM 521 CB GLN A 32 9.290 -44.574 9.306 1.00 71.54 C ATOM 522 CG GLN A 32 9.279 -44.675 10.831 1.00 44.21 C ATOM 523 CD GLN A 32 8.402 -45.798 11.353 1.00 42.03 C ATOM 524 OE1 GLN A 32 8.225 -46.825 10.706 1.00 62.11 O ATOM 525 NE2 GLN A 32 7.828 -45.598 12.522 1.00 52.31 N ATOM 0 H GLN A 32 8.223 -42.290 9.466 1.00 34.55 H new ATOM 0 HA GLN A 32 10.982 -43.235 9.126 1.00 24.40 H new ATOM 0 HB2 GLN A 32 8.266 -44.626 8.937 1.00 71.54 H new ATOM 0 HB3 GLN A 32 9.821 -45.433 8.895 1.00 71.54 H new ATOM 0 HG2 GLN A 32 10.299 -44.825 11.185 1.00 44.21 H new ATOM 0 HG3 GLN A 32 8.933 -43.729 11.248 1.00 44.21 H new ATOM 0 HE21 GLN A 32 7.998 -44.731 13.032 1.00 52.31 H new ATOM 0 HE22 GLN A 32 7.213 -46.310 12.917 1.00 52.31 H new ATOM 534 N GLY A 33 9.555 -42.147 6.650 1.00 63.14 N ATOM 535 CA GLY A 33 9.553 -42.052 5.190 1.00 44.43 C ATOM 536 C GLY A 33 9.024 -40.725 4.643 1.00 10.42 C ATOM 537 O GLY A 33 9.669 -40.093 3.804 1.00 51.45 O ATOM 0 H GLY A 33 9.227 -41.313 7.137 1.00 63.14 H new ATOM 0 HA2 GLY A 33 10.570 -42.201 4.827 1.00 44.43 H new ATOM 0 HA3 GLY A 33 8.948 -42.864 4.786 1.00 44.43 H new ATOM 541 N ALA A 34 7.848 -40.306 5.109 1.00 74.13 N ATOM 542 CA ALA A 34 7.198 -39.084 4.604 1.00 44.21 C ATOM 543 C ALA A 34 7.962 -37.809 5.006 1.00 53.21 C ATOM 544 O ALA A 34 8.106 -36.878 4.211 1.00 43.32 O ATOM 545 CB ALA A 34 5.755 -39.017 5.098 1.00 62.43 C ATOM 0 H ALA A 34 7.321 -40.791 5.836 1.00 74.13 H new ATOM 0 HA ALA A 34 7.207 -39.134 3.515 1.00 44.21 H new ATOM 0 HB1 ALA A 34 5.283 -38.110 4.720 1.00 62.43 H new ATOM 0 HB2 ALA A 34 5.207 -39.888 4.740 1.00 62.43 H new ATOM 0 HB3 ALA A 34 5.744 -39.004 6.188 1.00 62.43 H new ATOM 551 N TRP A 35 8.442 -37.769 6.247 1.00 14.03 N ATOM 552 CA TRP A 35 9.234 -36.633 6.736 1.00 54.04 C ATOM 553 C TRP A 35 10.639 -36.622 6.104 1.00 21.10 C ATOM 554 O TRP A 35 11.389 -37.591 6.214 1.00 43.31 O ATOM 555 CB TRP A 35 9.355 -36.683 8.267 1.00 5.21 C ATOM 556 CG TRP A 35 8.180 -36.117 9.042 1.00 41.22 C ATOM 557 CD1 TRP A 35 8.242 -35.576 10.297 1.00 54.13 C ATOM 558 CD2 TRP A 35 6.794 -36.017 8.641 1.00 62.03 C ATOM 559 NE1 TRP A 35 6.999 -35.170 10.705 1.00 33.41 N ATOM 560 CE2 TRP A 35 6.096 -35.423 9.712 1.00 53.03 C ATOM 561 CE3 TRP A 35 6.069 -36.370 7.495 1.00 12.42 C ATOM 562 CZ2 TRP A 35 4.727 -35.180 9.672 1.00 60.13 C ATOM 563 CZ3 TRP A 35 4.708 -36.121 7.458 1.00 43.51 C ATOM 564 CH2 TRP A 35 4.051 -35.532 8.540 1.00 35.33 C ATOM 0 H TRP A 35 8.299 -38.508 6.935 1.00 14.03 H new ATOM 0 HA TRP A 35 8.717 -35.718 6.446 1.00 54.04 H new ATOM 0 HB2 TRP A 35 9.498 -37.721 8.567 1.00 5.21 H new ATOM 0 HB3 TRP A 35 10.254 -36.140 8.559 1.00 5.21 H new ATOM 0 HD1 TRP A 35 9.144 -35.482 10.884 1.00 54.13 H new ATOM 0 HE1 TRP A 35 6.782 -34.746 11.607 1.00 33.41 H new ATOM 0 HE3 TRP A 35 6.565 -36.830 6.653 1.00 12.42 H new ATOM 0 HZ2 TRP A 35 4.216 -34.728 10.509 1.00 60.13 H new ATOM 0 HZ3 TRP A 35 4.144 -36.387 6.576 1.00 43.51 H new ATOM 0 HH2 TRP A 35 2.988 -35.352 8.480 1.00 35.33 H new ATOM 575 N ILE A 36 10.986 -35.513 5.452 1.00 25.25 N ATOM 576 CA ILE A 36 12.296 -35.359 4.801 1.00 15.45 C ATOM 577 C ILE A 36 13.126 -34.250 5.478 1.00 51.41 C ATOM 578 O ILE A 36 12.615 -33.153 5.724 1.00 14.40 O ATOM 579 CB ILE A 36 12.122 -35.019 3.298 1.00 74.33 C ATOM 580 CG1 ILE A 36 11.279 -36.100 2.598 1.00 34.24 C ATOM 581 CG2 ILE A 36 13.482 -34.865 2.614 1.00 64.54 C ATOM 582 CD1 ILE A 36 10.993 -35.810 1.139 1.00 51.34 C ATOM 0 H ILE A 36 10.377 -34.700 5.358 1.00 25.25 H new ATOM 0 HA ILE A 36 12.824 -36.307 4.901 1.00 15.45 H new ATOM 0 HB ILE A 36 11.596 -34.067 3.220 1.00 74.33 H new ATOM 0 HG12 ILE A 36 11.798 -37.056 2.673 1.00 34.24 H new ATOM 0 HG13 ILE A 36 10.333 -36.208 3.128 1.00 34.24 H new ATOM 0 HG21 ILE A 36 13.335 -34.627 1.561 1.00 64.54 H new ATOM 0 HG22 ILE A 36 14.041 -34.061 3.093 1.00 64.54 H new ATOM 0 HG23 ILE A 36 14.040 -35.797 2.700 1.00 64.54 H new ATOM 0 HD11 ILE A 36 10.395 -36.618 0.718 1.00 51.34 H new ATOM 0 HD12 ILE A 36 10.445 -34.871 1.055 1.00 51.34 H new ATOM 0 HD13 ILE A 36 11.933 -35.732 0.593 1.00 51.34 H new ATOM 594 N GLU A 37 14.400 -34.535 5.775 1.00 31.34 N ATOM 595 CA GLU A 37 15.283 -33.550 6.424 1.00 13.32 C ATOM 596 C GLU A 37 15.464 -32.292 5.555 1.00 33.22 C ATOM 597 O GLU A 37 15.470 -32.369 4.321 1.00 42.44 O ATOM 598 CB GLU A 37 16.660 -34.161 6.731 1.00 32.03 C ATOM 599 CG GLU A 37 17.488 -34.484 5.489 1.00 44.44 C ATOM 600 CD GLU A 37 18.961 -34.703 5.803 1.00 21.03 C ATOM 601 OE1 GLU A 37 19.609 -33.755 6.296 1.00 53.11 O ATOM 602 OE2 GLU A 37 19.484 -35.807 5.539 1.00 11.43 O ATOM 0 H GLU A 37 14.843 -35.433 5.579 1.00 31.34 H new ATOM 0 HA GLU A 37 14.802 -33.261 7.359 1.00 13.32 H new ATOM 0 HB2 GLU A 37 17.221 -33.469 7.359 1.00 32.03 H new ATOM 0 HB3 GLU A 37 16.520 -35.074 7.309 1.00 32.03 H new ATOM 0 HG2 GLU A 37 17.086 -35.378 5.012 1.00 44.44 H new ATOM 0 HG3 GLU A 37 17.391 -33.669 4.771 1.00 44.44 H new ATOM 609 N GLY A 38 15.609 -31.140 6.205 1.00 60.53 N ATOM 610 CA GLY A 38 15.716 -29.870 5.494 1.00 73.13 C ATOM 611 C GLY A 38 14.374 -29.381 4.961 1.00 41.41 C ATOM 612 O GLY A 38 13.955 -28.253 5.234 1.00 53.12 O ATOM 0 H GLY A 38 15.655 -31.060 7.221 1.00 60.53 H new ATOM 0 HA2 GLY A 38 16.133 -29.117 6.163 1.00 73.13 H new ATOM 0 HA3 GLY A 38 16.414 -29.980 4.664 1.00 73.13 H new ATOM 616 N VAL A 39 13.701 -30.244 4.204 1.00 3.34 N ATOM 617 CA VAL A 39 12.416 -29.920 3.585 1.00 41.30 C ATOM 618 C VAL A 39 11.275 -29.820 4.617 1.00 13.24 C ATOM 619 O VAL A 39 10.716 -28.748 4.827 1.00 1.01 O ATOM 620 CB VAL A 39 12.046 -30.979 2.513 1.00 43.41 C ATOM 621 CG1 VAL A 39 10.748 -30.606 1.801 1.00 15.02 C ATOM 622 CG2 VAL A 39 13.187 -31.152 1.512 1.00 4.22 C ATOM 0 H VAL A 39 14.030 -31.188 4.002 1.00 3.34 H new ATOM 0 HA VAL A 39 12.532 -28.942 3.117 1.00 41.30 H new ATOM 0 HB VAL A 39 11.888 -31.932 3.018 1.00 43.41 H new ATOM 0 HG11 VAL A 39 10.511 -31.364 1.055 1.00 15.02 H new ATOM 0 HG12 VAL A 39 9.938 -30.547 2.528 1.00 15.02 H new ATOM 0 HG13 VAL A 39 10.867 -29.640 1.311 1.00 15.02 H new ATOM 0 HG21 VAL A 39 12.909 -31.899 0.768 1.00 4.22 H new ATOM 0 HG22 VAL A 39 13.383 -30.201 1.016 1.00 4.22 H new ATOM 0 HG23 VAL A 39 14.085 -31.480 2.036 1.00 4.22 H new ATOM 632 N HIS A 40 10.932 -30.940 5.257 1.00 32.31 N ATOM 633 CA HIS A 40 9.794 -30.977 6.194 1.00 23.34 C ATOM 634 C HIS A 40 10.223 -30.811 7.669 1.00 24.33 C ATOM 635 O HIS A 40 9.386 -30.528 8.528 1.00 60.21 O ATOM 636 CB HIS A 40 9.008 -32.289 6.026 1.00 62.22 C ATOM 637 CG HIS A 40 8.279 -32.424 4.713 1.00 60.55 C ATOM 638 ND1 HIS A 40 8.199 -31.418 3.767 1.00 52.41 N ATOM 639 CD2 HIS A 40 7.582 -33.469 4.196 1.00 2.50 C ATOM 640 CE1 HIS A 40 7.490 -31.840 2.737 1.00 5.20 C ATOM 641 NE2 HIS A 40 7.108 -33.075 2.972 1.00 12.51 N ATOM 0 H HIS A 40 11.418 -31.830 5.149 1.00 32.31 H new ATOM 0 HA HIS A 40 9.158 -30.127 5.946 1.00 23.34 H new ATOM 0 HB2 HIS A 40 9.698 -33.126 6.130 1.00 62.22 H new ATOM 0 HB3 HIS A 40 8.285 -32.370 6.837 1.00 62.22 H new ATOM 0 HD1 HIS A 40 8.622 -30.494 3.852 1.00 52.41 H new ATOM 0 HD2 HIS A 40 7.430 -34.431 4.663 1.00 2.50 H new ATOM 0 HE1 HIS A 40 7.262 -31.267 1.850 1.00 5.20 H new ATOM 650 N PHE A 41 11.511 -31.005 7.962 1.00 41.42 N ATOM 651 CA PHE A 41 12.025 -30.847 9.336 1.00 4.12 C ATOM 652 C PHE A 41 13.552 -30.668 9.340 1.00 11.45 C ATOM 653 O PHE A 41 14.193 -30.782 8.300 1.00 65.34 O ATOM 654 CB PHE A 41 11.648 -32.068 10.198 1.00 74.41 C ATOM 655 CG PHE A 41 12.412 -33.334 9.863 1.00 1.14 C ATOM 656 CD1 PHE A 41 13.633 -33.609 10.470 1.00 1.43 C ATOM 657 CD2 PHE A 41 11.913 -34.246 8.947 1.00 65.03 C ATOM 658 CE1 PHE A 41 14.334 -34.759 10.171 1.00 74.02 C ATOM 659 CE2 PHE A 41 12.616 -35.401 8.646 1.00 23.14 C ATOM 660 CZ PHE A 41 13.825 -35.657 9.258 1.00 54.00 C ATOM 0 H PHE A 41 12.217 -31.270 7.276 1.00 41.42 H new ATOM 0 HA PHE A 41 11.568 -29.952 9.758 1.00 4.12 H new ATOM 0 HB2 PHE A 41 11.818 -31.823 11.246 1.00 74.41 H new ATOM 0 HB3 PHE A 41 10.581 -32.262 10.085 1.00 74.41 H new ATOM 0 HD1 PHE A 41 14.039 -32.911 11.187 1.00 1.43 H new ATOM 0 HD2 PHE A 41 10.967 -34.054 8.463 1.00 65.03 H new ATOM 0 HE1 PHE A 41 15.281 -34.955 10.652 1.00 74.02 H new ATOM 0 HE2 PHE A 41 12.216 -36.103 7.930 1.00 23.14 H new ATOM 0 HZ PHE A 41 14.371 -36.558 9.022 1.00 54.00 H new ATOM 670 N LYS A 42 14.132 -30.408 10.515 1.00 23.20 N ATOM 671 CA LYS A 42 15.598 -30.348 10.654 1.00 53.43 C ATOM 672 C LYS A 42 16.052 -30.568 12.111 1.00 25.14 C ATOM 673 O LYS A 42 15.301 -30.319 13.056 1.00 51.05 O ATOM 674 CB LYS A 42 16.152 -29.021 10.083 1.00 63.40 C ATOM 675 CG LYS A 42 15.522 -27.738 10.645 1.00 12.24 C ATOM 676 CD LYS A 42 16.082 -27.342 12.013 1.00 24.13 C ATOM 677 CE LYS A 42 17.593 -27.109 11.980 1.00 72.51 C ATOM 678 NZ LYS A 42 17.983 -26.042 11.019 1.00 5.11 N ATOM 0 H LYS A 42 13.618 -30.236 11.379 1.00 23.20 H new ATOM 0 HA LYS A 42 16.014 -31.168 10.068 1.00 53.43 H new ATOM 0 HB2 LYS A 42 17.226 -28.988 10.268 1.00 63.40 H new ATOM 0 HB3 LYS A 42 16.015 -29.027 9.002 1.00 63.40 H new ATOM 0 HG2 LYS A 42 15.687 -26.922 9.942 1.00 12.24 H new ATOM 0 HG3 LYS A 42 14.444 -27.876 10.727 1.00 12.24 H new ATOM 0 HD2 LYS A 42 15.585 -26.435 12.357 1.00 24.13 H new ATOM 0 HD3 LYS A 42 15.854 -28.125 12.736 1.00 24.13 H new ATOM 0 HE2 LYS A 42 17.938 -26.839 12.978 1.00 72.51 H new ATOM 0 HE3 LYS A 42 18.095 -28.038 11.710 1.00 72.51 H new ATOM 0 HZ1 LYS A 42 19.002 -25.851 11.107 1.00 5.11 H new ATOM 0 HZ2 LYS A 42 17.771 -26.354 10.050 1.00 5.11 H new ATOM 0 HZ3 LYS A 42 17.449 -25.174 11.228 1.00 5.11 H new ATOM 692 N ARG A 43 17.286 -31.052 12.278 1.00 3.34 N ATOM 693 CA ARG A 43 17.855 -31.321 13.609 1.00 4.35 C ATOM 694 C ARG A 43 18.363 -30.040 14.293 1.00 42.11 C ATOM 695 O ARG A 43 19.215 -29.329 13.756 1.00 45.14 O ATOM 696 CB ARG A 43 19.015 -32.325 13.494 1.00 64.31 C ATOM 697 CG ARG A 43 18.597 -33.720 13.041 1.00 74.13 C ATOM 698 CD ARG A 43 19.811 -34.609 12.778 1.00 5.43 C ATOM 699 NE ARG A 43 20.602 -34.133 11.640 1.00 1.51 N ATOM 700 CZ ARG A 43 21.835 -33.706 11.717 1.00 33.52 C ATOM 701 NH1 ARG A 43 22.441 -33.628 12.860 1.00 21.15 N ATOM 702 NH2 ARG A 43 22.453 -33.340 10.645 1.00 4.34 N ATOM 0 H ARG A 43 17.916 -31.268 11.505 1.00 3.34 H new ATOM 0 HA ARG A 43 17.055 -31.737 14.221 1.00 4.35 H new ATOM 0 HB2 ARG A 43 19.751 -31.933 12.791 1.00 64.31 H new ATOM 0 HB3 ARG A 43 19.509 -32.403 14.462 1.00 64.31 H new ATOM 0 HG2 ARG A 43 17.967 -34.178 13.804 1.00 74.13 H new ATOM 0 HG3 ARG A 43 17.996 -33.645 12.135 1.00 74.13 H new ATOM 0 HD2 ARG A 43 20.438 -34.639 13.669 1.00 5.43 H new ATOM 0 HD3 ARG A 43 19.479 -35.630 12.587 1.00 5.43 H new ATOM 0 HE ARG A 43 20.158 -34.135 10.722 1.00 1.51 H new ATOM 0 HH11 ARG A 43 21.956 -33.902 13.714 1.00 21.15 H new ATOM 0 HH12 ARG A 43 23.403 -33.293 12.905 1.00 21.15 H new ATOM 0 HH21 ARG A 43 21.979 -33.385 9.743 1.00 4.34 H new ATOM 0 HH22 ARG A 43 23.415 -33.006 10.700 1.00 4.34 H new ATOM 716 N VAL A 44 17.842 -29.756 15.483 1.00 75.35 N ATOM 717 CA VAL A 44 18.314 -28.627 16.291 1.00 54.42 C ATOM 718 C VAL A 44 19.193 -29.116 17.456 1.00 32.12 C ATOM 719 O VAL A 44 18.697 -29.659 18.447 1.00 71.44 O ATOM 720 CB VAL A 44 17.133 -27.790 16.850 1.00 2.21 C ATOM 721 CG1 VAL A 44 17.640 -26.614 17.686 1.00 24.43 C ATOM 722 CG2 VAL A 44 16.235 -27.302 15.712 1.00 35.32 C ATOM 0 H VAL A 44 17.089 -30.293 15.914 1.00 75.35 H new ATOM 0 HA VAL A 44 18.908 -27.991 15.634 1.00 54.42 H new ATOM 0 HB VAL A 44 16.541 -28.432 17.503 1.00 2.21 H new ATOM 0 HG11 VAL A 44 16.791 -26.045 18.065 1.00 24.43 H new ATOM 0 HG12 VAL A 44 18.228 -26.990 18.523 1.00 24.43 H new ATOM 0 HG13 VAL A 44 18.262 -25.968 17.066 1.00 24.43 H new ATOM 0 HG21 VAL A 44 15.412 -26.717 16.123 1.00 35.32 H new ATOM 0 HG22 VAL A 44 16.817 -26.681 15.030 1.00 35.32 H new ATOM 0 HG23 VAL A 44 15.835 -28.159 15.171 1.00 35.32 H new ATOM 732 N SER A 45 20.503 -28.938 17.315 1.00 34.34 N ATOM 733 CA SER A 45 21.465 -29.343 18.349 1.00 3.53 C ATOM 734 C SER A 45 21.663 -28.223 19.385 1.00 35.04 C ATOM 735 O SER A 45 21.437 -27.052 19.083 1.00 21.14 O ATOM 736 CB SER A 45 22.808 -29.710 17.703 1.00 55.34 C ATOM 737 OG SER A 45 23.362 -28.604 17.009 1.00 54.54 O ATOM 0 H SER A 45 20.930 -28.514 16.492 1.00 34.34 H new ATOM 0 HA SER A 45 21.066 -30.217 18.865 1.00 3.53 H new ATOM 0 HB2 SER A 45 23.504 -30.047 18.471 1.00 55.34 H new ATOM 0 HB3 SER A 45 22.668 -30.542 17.013 1.00 55.34 H new ATOM 0 HG SER A 45 22.856 -28.449 16.184 1.00 54.54 H new ATOM 743 N PRO A 46 22.092 -28.569 20.622 1.00 72.40 N ATOM 744 CA PRO A 46 22.256 -27.597 21.723 1.00 52.44 C ATOM 745 C PRO A 46 22.909 -26.264 21.300 1.00 71.21 C ATOM 746 O PRO A 46 22.394 -25.187 21.606 1.00 65.14 O ATOM 747 CB PRO A 46 23.157 -28.352 22.705 1.00 51.30 C ATOM 748 CG PRO A 46 22.788 -29.786 22.517 1.00 43.21 C ATOM 749 CD PRO A 46 22.443 -29.943 21.056 1.00 11.03 C ATOM 0 HA PRO A 46 21.292 -27.290 22.128 1.00 52.44 H new ATOM 0 HB2 PRO A 46 24.212 -28.181 22.489 1.00 51.30 H new ATOM 0 HB3 PRO A 46 22.985 -28.028 23.732 1.00 51.30 H new ATOM 0 HG2 PRO A 46 23.614 -30.440 22.794 1.00 43.21 H new ATOM 0 HG3 PRO A 46 21.942 -30.056 23.148 1.00 43.21 H new ATOM 0 HD2 PRO A 46 23.284 -30.339 20.487 1.00 11.03 H new ATOM 0 HD3 PRO A 46 21.610 -30.632 20.914 1.00 11.03 H new ATOM 757 N SER A 47 24.033 -26.342 20.588 1.00 62.50 N ATOM 758 CA SER A 47 24.777 -25.137 20.166 1.00 12.21 C ATOM 759 C SER A 47 24.608 -24.832 18.671 1.00 53.20 C ATOM 760 O SER A 47 25.325 -23.994 18.124 1.00 55.14 O ATOM 761 CB SER A 47 26.271 -25.309 20.474 1.00 61.13 C ATOM 762 OG SER A 47 26.499 -25.450 21.868 1.00 33.00 O ATOM 0 H SER A 47 24.454 -27.221 20.288 1.00 62.50 H new ATOM 0 HA SER A 47 24.363 -24.299 20.727 1.00 12.21 H new ATOM 0 HB2 SER A 47 26.654 -26.185 19.951 1.00 61.13 H new ATOM 0 HB3 SER A 47 26.823 -24.447 20.099 1.00 61.13 H new ATOM 0 HG SER A 47 27.459 -25.559 22.033 1.00 33.00 H new ATOM 768 N GLY A 48 23.651 -25.485 18.016 1.00 70.21 N ATOM 769 CA GLY A 48 23.517 -25.353 16.562 1.00 22.31 C ATOM 770 C GLY A 48 24.722 -25.926 15.821 1.00 12.33 C ATOM 771 O GLY A 48 25.079 -25.480 14.730 1.00 34.35 O ATOM 0 H GLY A 48 22.967 -26.101 18.456 1.00 70.21 H new ATOM 0 HA2 GLY A 48 22.613 -25.865 16.234 1.00 22.31 H new ATOM 0 HA3 GLY A 48 23.399 -24.301 16.303 1.00 22.31 H new ATOM 775 N GLU A 49 25.323 -26.945 16.426 1.00 50.32 N ATOM 776 CA GLU A 49 26.575 -27.545 15.950 1.00 30.00 C ATOM 777 C GLU A 49 26.329 -28.614 14.871 1.00 3.40 C ATOM 778 O GLU A 49 27.263 -29.279 14.426 1.00 52.11 O ATOM 779 CB GLU A 49 27.315 -28.157 17.152 1.00 0.32 C ATOM 780 CG GLU A 49 26.482 -29.181 17.920 1.00 45.43 C ATOM 781 CD GLU A 49 27.097 -29.580 19.254 1.00 72.04 C ATOM 782 OE1 GLU A 49 27.959 -30.484 19.275 1.00 71.10 O ATOM 783 OE2 GLU A 49 26.704 -29.001 20.291 1.00 54.30 O ATOM 0 H GLU A 49 24.955 -27.386 17.269 1.00 50.32 H new ATOM 0 HA GLU A 49 27.181 -26.765 15.489 1.00 30.00 H new ATOM 0 HB2 GLU A 49 28.230 -28.634 16.801 1.00 0.32 H new ATOM 0 HB3 GLU A 49 27.612 -27.358 17.831 1.00 0.32 H new ATOM 0 HG2 GLU A 49 25.487 -28.772 18.095 1.00 45.43 H new ATOM 0 HG3 GLU A 49 26.357 -30.072 17.305 1.00 45.43 H new ATOM 790 N LYS A 50 25.063 -28.783 14.475 1.00 24.20 N ATOM 791 CA LYS A 50 24.670 -29.740 13.419 1.00 51.34 C ATOM 792 C LYS A 50 24.910 -31.211 13.815 1.00 72.04 C ATOM 793 O LYS A 50 24.660 -32.119 13.021 1.00 54.51 O ATOM 794 CB LYS A 50 25.394 -29.431 12.096 1.00 52.44 C ATOM 795 CG LYS A 50 25.037 -28.074 11.495 1.00 10.53 C ATOM 796 CD LYS A 50 25.763 -27.828 10.174 1.00 50.33 C ATOM 797 CE LYS A 50 25.427 -28.890 9.130 1.00 12.33 C ATOM 798 NZ LYS A 50 26.096 -28.622 7.831 1.00 63.22 N ATOM 0 H LYS A 50 24.279 -28.265 14.872 1.00 24.20 H new ATOM 0 HA LYS A 50 23.596 -29.613 13.284 1.00 51.34 H new ATOM 0 HB2 LYS A 50 26.470 -29.470 12.265 1.00 52.44 H new ATOM 0 HB3 LYS A 50 25.156 -30.211 11.373 1.00 52.44 H new ATOM 0 HG2 LYS A 50 23.960 -28.020 11.333 1.00 10.53 H new ATOM 0 HG3 LYS A 50 25.293 -27.285 12.202 1.00 10.53 H new ATOM 0 HD2 LYS A 50 25.493 -26.844 9.790 1.00 50.33 H new ATOM 0 HD3 LYS A 50 26.839 -27.818 10.348 1.00 50.33 H new ATOM 0 HE2 LYS A 50 25.730 -29.870 9.499 1.00 12.33 H new ATOM 0 HE3 LYS A 50 24.348 -28.925 8.982 1.00 12.33 H new ATOM 0 HZ1 LYS A 50 25.842 -29.366 7.150 1.00 63.22 H new ATOM 0 HZ2 LYS A 50 25.788 -27.698 7.466 1.00 63.22 H new ATOM 0 HZ3 LYS A 50 27.127 -28.614 7.967 1.00 63.22 H new ATOM 812 N THR A 51 25.376 -31.452 15.038 1.00 24.54 N ATOM 813 CA THR A 51 25.613 -32.820 15.517 1.00 11.42 C ATOM 814 C THR A 51 24.296 -33.610 15.600 1.00 24.45 C ATOM 815 O THR A 51 23.225 -33.037 15.801 1.00 33.33 O ATOM 816 CB THR A 51 26.308 -32.821 16.900 1.00 43.21 C ATOM 817 OG1 THR A 51 27.531 -32.071 16.835 1.00 65.14 O ATOM 818 CG2 THR A 51 26.612 -34.240 17.372 1.00 41.01 C ATOM 0 H THR A 51 25.598 -30.724 15.717 1.00 24.54 H new ATOM 0 HA THR A 51 26.272 -33.304 14.796 1.00 11.42 H new ATOM 0 HB THR A 51 25.626 -32.360 17.614 1.00 43.21 H new ATOM 0 HG1 THR A 51 27.707 -31.656 17.705 1.00 65.14 H new ATOM 0 HG21 THR A 51 27.100 -34.203 18.346 1.00 41.01 H new ATOM 0 HG22 THR A 51 25.682 -34.804 17.453 1.00 41.01 H new ATOM 0 HG23 THR A 51 27.271 -34.729 16.655 1.00 41.01 H new ATOM 826 N LEU A 52 24.383 -34.927 15.437 1.00 73.10 N ATOM 827 CA LEU A 52 23.197 -35.797 15.402 1.00 14.51 C ATOM 828 C LEU A 52 22.374 -35.722 16.699 1.00 5.34 C ATOM 829 O LEU A 52 21.143 -35.814 16.674 1.00 50.23 O ATOM 830 CB LEU A 52 23.609 -37.255 15.145 1.00 43.34 C ATOM 831 CG LEU A 52 24.320 -37.536 13.806 1.00 50.15 C ATOM 832 CD1 LEU A 52 23.557 -36.917 12.639 1.00 54.25 C ATOM 833 CD2 LEU A 52 25.770 -37.053 13.832 1.00 3.11 C ATOM 0 H LEU A 52 25.267 -35.424 15.326 1.00 73.10 H new ATOM 0 HA LEU A 52 22.569 -35.437 14.587 1.00 14.51 H new ATOM 0 HB2 LEU A 52 24.266 -37.573 15.955 1.00 43.34 H new ATOM 0 HB3 LEU A 52 22.716 -37.877 15.196 1.00 43.34 H new ATOM 0 HG LEU A 52 24.335 -38.616 13.662 1.00 50.15 H new ATOM 0 HD11 LEU A 52 24.081 -37.131 11.707 1.00 54.25 H new ATOM 0 HD12 LEU A 52 22.553 -37.339 12.596 1.00 54.25 H new ATOM 0 HD13 LEU A 52 23.491 -35.838 12.779 1.00 54.25 H new ATOM 0 HD21 LEU A 52 26.242 -37.267 12.873 1.00 3.11 H new ATOM 0 HD22 LEU A 52 25.792 -35.979 14.016 1.00 3.11 H new ATOM 0 HD23 LEU A 52 26.311 -37.569 14.625 1.00 3.11 H new ATOM 845 N ARG A 53 23.053 -35.546 17.825 1.00 21.13 N ATOM 846 CA ARG A 53 22.393 -35.525 19.130 1.00 74.55 C ATOM 847 C ARG A 53 21.711 -34.170 19.380 1.00 35.14 C ATOM 848 O ARG A 53 22.305 -33.251 19.949 1.00 51.45 O ATOM 849 CB ARG A 53 23.410 -35.839 20.236 1.00 34.12 C ATOM 850 CG ARG A 53 24.216 -37.113 19.988 1.00 33.32 C ATOM 851 CD ARG A 53 23.338 -38.361 19.988 1.00 43.34 C ATOM 852 NE ARG A 53 24.072 -39.550 19.553 1.00 43.03 N ATOM 853 CZ ARG A 53 24.471 -40.508 20.347 1.00 53.45 C ATOM 854 NH1 ARG A 53 24.288 -40.431 21.626 1.00 63.21 N ATOM 855 NH2 ARG A 53 25.066 -41.545 19.856 1.00 2.14 N ATOM 0 H ARG A 53 24.064 -35.415 17.864 1.00 21.13 H new ATOM 0 HA ARG A 53 21.618 -36.291 19.141 1.00 74.55 H new ATOM 0 HB2 ARG A 53 24.097 -34.999 20.334 1.00 34.12 H new ATOM 0 HB3 ARG A 53 22.883 -35.932 21.186 1.00 34.12 H new ATOM 0 HG2 ARG A 53 24.732 -37.034 19.031 1.00 33.32 H new ATOM 0 HG3 ARG A 53 24.983 -37.211 20.756 1.00 33.32 H new ATOM 0 HD2 ARG A 53 22.943 -38.526 20.990 1.00 43.34 H new ATOM 0 HD3 ARG A 53 22.483 -38.202 19.331 1.00 43.34 H new ATOM 0 HE ARG A 53 24.287 -39.637 18.560 1.00 43.03 H new ATOM 0 HH11 ARG A 53 23.827 -39.614 22.027 1.00 63.21 H new ATOM 0 HH12 ARG A 53 24.605 -41.187 22.233 1.00 63.21 H new ATOM 0 HH21 ARG A 53 25.223 -41.614 18.851 1.00 2.14 H new ATOM 0 HH22 ARG A 53 25.378 -42.294 20.474 1.00 2.14 H new ATOM 869 N GLY A 54 20.476 -34.047 18.902 1.00 51.23 N ATOM 870 CA GLY A 54 19.690 -32.831 19.102 1.00 73.33 C ATOM 871 C GLY A 54 18.192 -33.047 18.883 1.00 40.10 C ATOM 872 O GLY A 54 17.775 -34.090 18.372 1.00 24.42 O ATOM 0 H GLY A 54 19.996 -34.775 18.373 1.00 51.23 H new ATOM 0 HA2 GLY A 54 19.854 -32.461 20.114 1.00 73.33 H new ATOM 0 HA3 GLY A 54 20.044 -32.059 18.419 1.00 73.33 H new ATOM 876 N THR A 55 17.383 -32.055 19.253 1.00 15.24 N ATOM 877 CA THR A 55 15.917 -32.158 19.150 1.00 55.24 C ATOM 878 C THR A 55 15.426 -31.855 17.729 1.00 34.52 C ATOM 879 O THR A 55 15.870 -30.897 17.097 1.00 31.34 O ATOM 880 CB THR A 55 15.211 -31.208 20.152 1.00 34.41 C ATOM 881 OG1 THR A 55 15.553 -31.586 21.498 1.00 23.24 O ATOM 882 CG2 THR A 55 13.690 -31.243 19.984 1.00 21.41 C ATOM 0 H THR A 55 17.713 -31.166 19.629 1.00 15.24 H new ATOM 0 HA THR A 55 15.660 -33.188 19.396 1.00 55.24 H new ATOM 0 HB THR A 55 15.551 -30.192 19.949 1.00 34.41 H new ATOM 0 HG1 THR A 55 15.108 -30.984 22.130 1.00 23.24 H new ATOM 0 HG21 THR A 55 13.229 -30.565 20.702 1.00 21.41 H new ATOM 0 HG22 THR A 55 13.428 -30.932 18.972 1.00 21.41 H new ATOM 0 HG23 THR A 55 13.328 -32.256 20.157 1.00 21.41 H new ATOM 890 N THR A 56 14.499 -32.667 17.232 1.00 2.33 N ATOM 891 CA THR A 56 14.001 -32.525 15.859 1.00 2.21 C ATOM 892 C THR A 56 12.689 -31.724 15.795 1.00 63.44 C ATOM 893 O THR A 56 11.621 -32.226 16.150 1.00 73.24 O ATOM 894 CB THR A 56 13.784 -33.912 15.201 1.00 1.14 C ATOM 895 OG1 THR A 56 15.026 -34.641 15.157 1.00 61.42 O ATOM 896 CG2 THR A 56 13.221 -33.777 13.788 1.00 62.04 C ATOM 0 H THR A 56 14.074 -33.432 17.756 1.00 2.33 H new ATOM 0 HA THR A 56 14.765 -31.975 15.310 1.00 2.21 H new ATOM 0 HB THR A 56 13.061 -34.457 15.808 1.00 1.14 H new ATOM 0 HG1 THR A 56 14.877 -35.516 14.741 1.00 61.42 H new ATOM 0 HG21 THR A 56 13.081 -34.768 13.356 1.00 62.04 H new ATOM 0 HG22 THR A 56 12.263 -33.259 13.826 1.00 62.04 H new ATOM 0 HG23 THR A 56 13.917 -33.208 13.172 1.00 62.04 H new ATOM 904 N TRP A 57 12.780 -30.477 15.336 1.00 54.24 N ATOM 905 CA TRP A 57 11.597 -29.629 15.136 1.00 72.43 C ATOM 906 C TRP A 57 10.976 -29.872 13.752 1.00 11.30 C ATOM 907 O TRP A 57 11.675 -30.247 12.806 1.00 62.45 O ATOM 908 CB TRP A 57 11.969 -28.147 15.298 1.00 24.45 C ATOM 909 CG TRP A 57 12.300 -27.755 16.710 1.00 74.20 C ATOM 910 CD1 TRP A 57 13.359 -28.185 17.457 1.00 15.14 C ATOM 911 CD2 TRP A 57 11.567 -26.845 17.541 1.00 43.55 C ATOM 912 NE1 TRP A 57 13.330 -27.599 18.698 1.00 22.15 N ATOM 913 CE2 TRP A 57 12.239 -26.772 18.775 1.00 0.14 C ATOM 914 CE3 TRP A 57 10.408 -26.084 17.358 1.00 13.52 C ATOM 915 CZ2 TRP A 57 11.790 -25.968 19.820 1.00 13.54 C ATOM 916 CZ3 TRP A 57 9.962 -25.288 18.395 1.00 52.42 C ATOM 917 CH2 TRP A 57 10.651 -25.234 19.613 1.00 52.25 C ATOM 0 H TRP A 57 13.662 -30.026 15.094 1.00 54.24 H new ATOM 0 HA TRP A 57 10.858 -29.892 15.893 1.00 72.43 H new ATOM 0 HB2 TRP A 57 12.824 -27.925 14.659 1.00 24.45 H new ATOM 0 HB3 TRP A 57 11.140 -27.533 14.945 1.00 24.45 H new ATOM 0 HD1 TRP A 57 14.110 -28.884 17.120 1.00 15.14 H new ATOM 0 HE1 TRP A 57 14.010 -27.754 19.442 1.00 22.15 H new ATOM 0 HE3 TRP A 57 9.871 -26.118 16.422 1.00 13.52 H new ATOM 0 HZ2 TRP A 57 12.320 -25.924 20.760 1.00 13.54 H new ATOM 0 HZ3 TRP A 57 9.067 -24.698 18.264 1.00 52.42 H new ATOM 0 HH2 TRP A 57 10.278 -24.602 20.405 1.00 52.25 H new ATOM 928 N TYR A 58 9.666 -29.654 13.637 1.00 13.11 N ATOM 929 CA TYR A 58 8.939 -29.927 12.390 1.00 75.02 C ATOM 930 C TYR A 58 8.334 -28.646 11.788 1.00 55.32 C ATOM 931 O TYR A 58 7.914 -27.738 12.511 1.00 45.42 O ATOM 932 CB TYR A 58 7.826 -30.955 12.642 1.00 4.22 C ATOM 933 CG TYR A 58 8.294 -32.194 13.382 1.00 20.03 C ATOM 934 CD1 TYR A 58 9.125 -33.125 12.769 1.00 14.12 C ATOM 935 CD2 TYR A 58 7.914 -32.425 14.698 1.00 62.34 C ATOM 936 CE1 TYR A 58 9.559 -34.249 13.446 1.00 45.31 C ATOM 937 CE2 TYR A 58 8.346 -33.544 15.380 1.00 42.31 C ATOM 938 CZ TYR A 58 9.165 -34.453 14.752 1.00 74.05 C ATOM 939 OH TYR A 58 9.598 -35.569 15.436 1.00 74.23 O ATOM 0 H TYR A 58 9.083 -29.289 14.391 1.00 13.11 H new ATOM 0 HA TYR A 58 9.656 -30.329 11.674 1.00 75.02 H new ATOM 0 HB2 TYR A 58 7.029 -30.481 13.214 1.00 4.22 H new ATOM 0 HB3 TYR A 58 7.397 -31.254 11.686 1.00 4.22 H new ATOM 0 HD1 TYR A 58 9.436 -32.967 11.747 1.00 14.12 H new ATOM 0 HD2 TYR A 58 7.269 -31.716 15.196 1.00 62.34 H new ATOM 0 HE1 TYR A 58 10.203 -34.964 12.955 1.00 45.31 H new ATOM 0 HE2 TYR A 58 8.042 -33.706 16.404 1.00 42.31 H new ATOM 0 HH TYR A 58 9.437 -35.448 16.395 1.00 74.23 H new ATOM 949 N ASN A 59 8.289 -28.591 10.457 1.00 54.55 N ATOM 950 CA ASN A 59 7.720 -27.446 9.737 1.00 42.04 C ATOM 951 C ASN A 59 6.213 -27.643 9.495 1.00 0.43 C ATOM 952 O ASN A 59 5.810 -28.470 8.670 1.00 31.43 O ATOM 953 CB ASN A 59 8.440 -27.261 8.393 1.00 21.22 C ATOM 954 CG ASN A 59 9.947 -27.111 8.540 1.00 2.43 C ATOM 955 OD1 ASN A 59 10.552 -27.618 9.475 1.00 30.44 O ATOM 956 ND2 ASN A 59 10.571 -26.422 7.609 1.00 12.41 N ATOM 0 H ASN A 59 8.642 -29.331 9.850 1.00 54.55 H new ATOM 0 HA ASN A 59 7.859 -26.555 10.349 1.00 42.04 H new ATOM 0 HB2 ASN A 59 8.227 -28.117 7.752 1.00 21.22 H new ATOM 0 HB3 ASN A 59 8.040 -26.380 7.891 1.00 21.22 H new ATOM 0 HD21 ASN A 59 11.583 -26.300 7.656 1.00 12.41 H new ATOM 0 HD22 ASN A 59 10.043 -26.009 6.840 1.00 12.41 H new ATOM 963 N TYR A 60 5.385 -26.874 10.205 1.00 65.31 N ATOM 964 CA TYR A 60 3.921 -27.003 10.106 1.00 22.44 C ATOM 965 C TYR A 60 3.397 -26.827 8.662 1.00 24.42 C ATOM 966 O TYR A 60 2.602 -27.643 8.206 1.00 20.12 O ATOM 967 CB TYR A 60 3.228 -26.007 11.049 1.00 51.04 C ATOM 968 CG TYR A 60 1.706 -26.056 11.009 1.00 10.12 C ATOM 969 CD1 TYR A 60 1.000 -26.981 11.771 1.00 54.23 C ATOM 970 CD2 TYR A 60 0.974 -25.173 10.213 1.00 65.13 C ATOM 971 CE1 TYR A 60 -0.380 -27.027 11.742 1.00 63.33 C ATOM 972 CE2 TYR A 60 -0.407 -25.215 10.181 1.00 23.23 C ATOM 973 CZ TYR A 60 -1.079 -26.143 10.947 1.00 52.42 C ATOM 974 OH TYR A 60 -2.455 -26.191 10.915 1.00 52.23 O ATOM 0 H TYR A 60 5.699 -26.154 10.856 1.00 65.31 H new ATOM 0 HA TYR A 60 3.677 -28.021 10.409 1.00 22.44 H new ATOM 0 HB2 TYR A 60 3.559 -26.201 12.069 1.00 51.04 H new ATOM 0 HB3 TYR A 60 3.554 -24.998 10.795 1.00 51.04 H new ATOM 0 HD1 TYR A 60 1.541 -27.676 12.397 1.00 54.23 H new ATOM 0 HD2 TYR A 60 1.496 -24.444 9.611 1.00 65.13 H new ATOM 0 HE1 TYR A 60 -0.910 -27.753 12.340 1.00 63.33 H new ATOM 0 HE2 TYR A 60 -0.957 -24.524 9.559 1.00 23.23 H new ATOM 0 HH TYR A 60 -2.792 -25.501 10.307 1.00 52.23 H new ATOM 984 N PRO A 61 3.809 -25.768 7.917 1.00 41.31 N ATOM 985 CA PRO A 61 3.345 -25.562 6.527 1.00 43.51 C ATOM 986 C PRO A 61 3.681 -26.751 5.606 1.00 64.14 C ATOM 987 O PRO A 61 2.923 -27.080 4.690 1.00 15.43 O ATOM 988 CB PRO A 61 4.086 -24.288 6.079 1.00 21.15 C ATOM 989 CG PRO A 61 5.222 -24.138 7.039 1.00 2.45 C ATOM 990 CD PRO A 61 4.734 -24.698 8.344 1.00 20.32 C ATOM 0 HA PRO A 61 2.260 -25.472 6.473 1.00 43.51 H new ATOM 0 HB2 PRO A 61 4.446 -24.381 5.054 1.00 21.15 H new ATOM 0 HB3 PRO A 61 3.428 -23.419 6.108 1.00 21.15 H new ATOM 0 HG2 PRO A 61 6.103 -24.675 6.688 1.00 2.45 H new ATOM 0 HG3 PRO A 61 5.508 -23.092 7.145 1.00 2.45 H new ATOM 0 HD2 PRO A 61 5.553 -25.089 8.948 1.00 20.32 H new ATOM 0 HD3 PRO A 61 4.228 -23.942 8.944 1.00 20.32 H new ATOM 998 N GLU A 62 4.814 -27.395 5.870 1.00 52.40 N ATOM 999 CA GLU A 62 5.236 -28.580 5.117 1.00 24.02 C ATOM 1000 C GLU A 62 4.331 -29.783 5.425 1.00 23.22 C ATOM 1001 O GLU A 62 3.864 -30.473 4.520 1.00 15.55 O ATOM 1002 CB GLU A 62 6.690 -28.926 5.458 1.00 20.51 C ATOM 1003 CG GLU A 62 7.705 -27.866 5.036 1.00 15.23 C ATOM 1004 CD GLU A 62 7.842 -27.746 3.527 1.00 4.45 C ATOM 1005 OE1 GLU A 62 8.194 -28.756 2.881 1.00 35.41 O ATOM 1006 OE2 GLU A 62 7.596 -26.648 2.983 1.00 62.44 O ATOM 0 H GLU A 62 5.464 -27.116 6.605 1.00 52.40 H new ATOM 0 HA GLU A 62 5.155 -28.353 4.054 1.00 24.02 H new ATOM 0 HB2 GLU A 62 6.771 -29.082 6.534 1.00 20.51 H new ATOM 0 HB3 GLU A 62 6.948 -29.870 4.979 1.00 20.51 H new ATOM 0 HG2 GLU A 62 7.407 -26.901 5.447 1.00 15.23 H new ATOM 0 HG3 GLU A 62 8.677 -28.109 5.466 1.00 15.23 H new ATOM 1013 N ILE A 63 4.095 -30.030 6.712 1.00 23.32 N ATOM 1014 CA ILE A 63 3.219 -31.124 7.144 1.00 14.21 C ATOM 1015 C ILE A 63 1.762 -30.874 6.710 1.00 52.32 C ATOM 1016 O ILE A 63 1.044 -31.801 6.333 1.00 15.34 O ATOM 1017 CB ILE A 63 3.285 -31.306 8.680 1.00 32.52 C ATOM 1018 CG1 ILE A 63 4.732 -31.609 9.108 1.00 41.41 C ATOM 1019 CG2 ILE A 63 2.329 -32.406 9.152 1.00 65.01 C ATOM 1020 CD1 ILE A 63 4.918 -31.746 10.603 1.00 64.45 C ATOM 0 H ILE A 63 4.497 -29.488 7.477 1.00 23.32 H new ATOM 0 HA ILE A 63 3.572 -32.037 6.664 1.00 14.21 H new ATOM 0 HB ILE A 63 2.966 -30.377 9.153 1.00 32.52 H new ATOM 0 HG12 ILE A 63 5.056 -32.531 8.626 1.00 41.41 H new ATOM 0 HG13 ILE A 63 5.382 -30.813 8.743 1.00 41.41 H new ATOM 0 HG21 ILE A 63 2.399 -32.509 10.235 1.00 65.01 H new ATOM 0 HG22 ILE A 63 1.307 -32.142 8.878 1.00 65.01 H new ATOM 0 HG23 ILE A 63 2.599 -33.350 8.679 1.00 65.01 H new ATOM 0 HD11 ILE A 63 5.964 -31.959 10.821 1.00 64.45 H new ATOM 0 HD12 ILE A 63 4.627 -30.817 11.093 1.00 64.45 H new ATOM 0 HD13 ILE A 63 4.297 -32.561 10.974 1.00 64.45 H new ATOM 1032 N ASN A 64 1.344 -29.611 6.755 1.00 21.14 N ATOM 1033 CA ASN A 64 0.015 -29.206 6.289 1.00 54.23 C ATOM 1034 C ASN A 64 -0.148 -29.509 4.789 1.00 42.32 C ATOM 1035 O ASN A 64 -1.219 -29.910 4.336 1.00 0.51 O ATOM 1036 CB ASN A 64 -0.200 -27.711 6.568 1.00 43.11 C ATOM 1037 CG ASN A 64 -1.577 -27.219 6.154 1.00 64.41 C ATOM 1038 OD1 ASN A 64 -2.532 -27.297 6.917 1.00 1.11 O ATOM 1039 ND2 ASN A 64 -1.686 -26.692 4.951 1.00 10.53 N ATOM 0 H ASN A 64 1.911 -28.842 7.113 1.00 21.14 H new ATOM 0 HA ASN A 64 -0.739 -29.777 6.831 1.00 54.23 H new ATOM 0 HB2 ASN A 64 -0.058 -27.522 7.632 1.00 43.11 H new ATOM 0 HB3 ASN A 64 0.559 -27.136 6.038 1.00 43.11 H new ATOM 0 HD21 ASN A 64 -2.586 -26.334 4.631 1.00 10.53 H new ATOM 0 HD22 ASN A 64 -0.871 -26.642 4.340 1.00 10.53 H new ATOM 1046 N LYS A 65 0.932 -29.322 4.033 1.00 10.03 N ATOM 1047 CA LYS A 65 0.965 -29.665 2.605 1.00 63.45 C ATOM 1048 C LYS A 65 0.708 -31.170 2.394 1.00 34.14 C ATOM 1049 O LYS A 65 0.022 -31.573 1.447 1.00 53.34 O ATOM 1050 CB LYS A 65 2.324 -29.253 2.016 1.00 14.53 C ATOM 1051 CG LYS A 65 2.501 -29.557 0.531 1.00 71.42 C ATOM 1052 CD LYS A 65 3.796 -28.951 -0.007 1.00 72.42 C ATOM 1053 CE LYS A 65 4.003 -29.250 -1.487 1.00 41.45 C ATOM 1054 NZ LYS A 65 4.311 -30.685 -1.739 1.00 63.12 N ATOM 0 H LYS A 65 1.806 -28.931 4.386 1.00 10.03 H new ATOM 0 HA LYS A 65 0.172 -29.123 2.089 1.00 63.45 H new ATOM 0 HB2 LYS A 65 2.461 -28.183 2.171 1.00 14.53 H new ATOM 0 HB3 LYS A 65 3.113 -29.760 2.572 1.00 14.53 H new ATOM 0 HG2 LYS A 65 2.510 -30.636 0.377 1.00 71.42 H new ATOM 0 HG3 LYS A 65 1.652 -29.162 -0.027 1.00 71.42 H new ATOM 0 HD2 LYS A 65 3.780 -27.872 0.145 1.00 72.42 H new ATOM 0 HD3 LYS A 65 4.640 -29.340 0.562 1.00 72.42 H new ATOM 0 HE2 LYS A 65 3.106 -28.971 -2.040 1.00 41.45 H new ATOM 0 HE3 LYS A 65 4.817 -28.634 -1.869 1.00 41.45 H new ATOM 0 HZ1 LYS A 65 4.477 -30.831 -2.755 1.00 63.12 H new ATOM 0 HZ2 LYS A 65 5.163 -30.956 -1.207 1.00 63.12 H new ATOM 0 HZ3 LYS A 65 3.509 -31.271 -1.431 1.00 63.12 H new ATOM 1068 N PHE A 66 1.264 -31.990 3.289 1.00 13.13 N ATOM 1069 CA PHE A 66 1.018 -33.438 3.294 1.00 71.23 C ATOM 1070 C PHE A 66 -0.450 -33.749 3.643 1.00 63.24 C ATOM 1071 O PHE A 66 -1.143 -34.444 2.897 1.00 74.15 O ATOM 1072 CB PHE A 66 1.966 -34.127 4.294 1.00 13.32 C ATOM 1073 CG PHE A 66 1.689 -35.597 4.499 1.00 72.40 C ATOM 1074 CD1 PHE A 66 2.052 -36.528 3.537 1.00 43.45 C ATOM 1075 CD2 PHE A 66 1.063 -36.046 5.655 1.00 62.23 C ATOM 1076 CE1 PHE A 66 1.797 -37.875 3.724 1.00 44.40 C ATOM 1077 CE2 PHE A 66 0.806 -37.388 5.847 1.00 52.01 C ATOM 1078 CZ PHE A 66 1.173 -38.304 4.880 1.00 52.33 C ATOM 0 H PHE A 66 1.893 -31.674 4.027 1.00 13.13 H new ATOM 0 HA PHE A 66 1.213 -33.824 2.294 1.00 71.23 H new ATOM 0 HB2 PHE A 66 2.992 -34.007 3.946 1.00 13.32 H new ATOM 0 HB3 PHE A 66 1.894 -33.618 5.255 1.00 13.32 H new ATOM 0 HD1 PHE A 66 2.539 -36.198 2.632 1.00 43.45 H new ATOM 0 HD2 PHE A 66 0.773 -35.335 6.414 1.00 62.23 H new ATOM 0 HE1 PHE A 66 2.085 -38.590 2.968 1.00 44.40 H new ATOM 0 HE2 PHE A 66 0.319 -37.722 6.751 1.00 52.01 H new ATOM 0 HZ PHE A 66 0.972 -39.355 5.027 1.00 52.33 H new ATOM 1088 N ILE A 67 -0.923 -33.211 4.769 1.00 40.22 N ATOM 1089 CA ILE A 67 -2.306 -33.424 5.215 1.00 30.25 C ATOM 1090 C ILE A 67 -3.318 -32.958 4.153 1.00 23.43 C ATOM 1091 O ILE A 67 -4.344 -33.601 3.933 1.00 65.40 O ATOM 1092 CB ILE A 67 -2.581 -32.689 6.553 1.00 11.35 C ATOM 1093 CG1 ILE A 67 -1.616 -33.193 7.639 1.00 42.53 C ATOM 1094 CG2 ILE A 67 -4.037 -32.874 6.990 1.00 31.22 C ATOM 1095 CD1 ILE A 67 -1.784 -32.503 8.976 1.00 63.33 C ATOM 0 H ILE A 67 -0.369 -32.623 5.392 1.00 40.22 H new ATOM 0 HA ILE A 67 -2.430 -34.496 5.367 1.00 30.25 H new ATOM 0 HB ILE A 67 -2.412 -31.623 6.404 1.00 11.35 H new ATOM 0 HG12 ILE A 67 -1.763 -34.265 7.773 1.00 42.53 H new ATOM 0 HG13 ILE A 67 -0.591 -33.052 7.295 1.00 42.53 H new ATOM 0 HG21 ILE A 67 -4.204 -32.349 7.931 1.00 31.22 H new ATOM 0 HG22 ILE A 67 -4.700 -32.469 6.226 1.00 31.22 H new ATOM 0 HG23 ILE A 67 -4.244 -33.936 7.125 1.00 31.22 H new ATOM 0 HD11 ILE A 67 -1.069 -32.913 9.689 1.00 63.33 H new ATOM 0 HD12 ILE A 67 -1.607 -31.434 8.858 1.00 63.33 H new ATOM 0 HD13 ILE A 67 -2.797 -32.665 9.344 1.00 63.33 H new ATOM 1107 N ARG A 68 -3.013 -31.845 3.488 1.00 1.14 N ATOM 1108 CA ARG A 68 -3.855 -31.325 2.401 1.00 22.54 C ATOM 1109 C ARG A 68 -4.021 -32.367 1.278 1.00 53.13 C ATOM 1110 O ARG A 68 -5.084 -32.476 0.666 1.00 62.34 O ATOM 1111 CB ARG A 68 -3.243 -30.030 1.838 1.00 3.11 C ATOM 1112 CG ARG A 68 -4.037 -29.401 0.692 1.00 72.22 C ATOM 1113 CD ARG A 68 -3.386 -28.115 0.191 1.00 4.03 C ATOM 1114 NE ARG A 68 -4.111 -27.529 -0.936 1.00 73.42 N ATOM 1115 CZ ARG A 68 -3.878 -26.336 -1.418 1.00 44.10 C ATOM 1116 NH1 ARG A 68 -2.984 -25.566 -0.873 1.00 64.30 N ATOM 1117 NH2 ARG A 68 -4.547 -25.911 -2.441 1.00 70.43 N ATOM 0 H ARG A 68 -2.186 -31.280 3.681 1.00 1.14 H new ATOM 0 HA ARG A 68 -4.843 -31.109 2.808 1.00 22.54 H new ATOM 0 HB2 ARG A 68 -3.156 -29.303 2.645 1.00 3.11 H new ATOM 0 HB3 ARG A 68 -2.232 -30.242 1.490 1.00 3.11 H new ATOM 0 HG2 ARG A 68 -4.115 -30.113 -0.130 1.00 72.22 H new ATOM 0 HG3 ARG A 68 -5.052 -29.188 1.027 1.00 72.22 H new ATOM 0 HD2 ARG A 68 -3.340 -27.392 1.006 1.00 4.03 H new ATOM 0 HD3 ARG A 68 -2.359 -28.323 -0.109 1.00 4.03 H new ATOM 0 HE ARG A 68 -4.845 -28.086 -1.374 1.00 73.42 H new ATOM 0 HH11 ARG A 68 -2.457 -25.891 -0.062 1.00 64.30 H new ATOM 0 HH12 ARG A 68 -2.809 -24.637 -1.256 1.00 64.30 H new ATOM 0 HH21 ARG A 68 -5.255 -26.506 -2.870 1.00 70.43 H new ATOM 0 HH22 ARG A 68 -4.366 -24.981 -2.818 1.00 70.43 H new ATOM 1131 N ASP A 69 -2.967 -33.139 1.029 1.00 42.34 N ATOM 1132 CA ASP A 69 -2.977 -34.156 -0.025 1.00 14.14 C ATOM 1133 C ASP A 69 -3.636 -35.468 0.453 1.00 11.43 C ATOM 1134 O ASP A 69 -4.428 -36.077 -0.267 1.00 31.32 O ATOM 1135 CB ASP A 69 -1.540 -34.421 -0.491 1.00 51.20 C ATOM 1136 CG ASP A 69 -1.481 -35.314 -1.717 1.00 54.43 C ATOM 1137 OD1 ASP A 69 -1.867 -34.850 -2.810 1.00 63.33 O ATOM 1138 OD2 ASP A 69 -1.051 -36.478 -1.600 1.00 34.42 O ATOM 0 H ASP A 69 -2.089 -33.081 1.545 1.00 42.34 H new ATOM 0 HA ASP A 69 -3.571 -33.779 -0.858 1.00 14.14 H new ATOM 0 HB2 ASP A 69 -1.053 -33.472 -0.713 1.00 51.20 H new ATOM 0 HB3 ASP A 69 -0.978 -34.885 0.320 1.00 51.20 H new ATOM 1143 N SER A 70 -3.302 -35.894 1.670 1.00 21.55 N ATOM 1144 CA SER A 70 -3.836 -37.146 2.233 1.00 12.24 C ATOM 1145 C SER A 70 -5.304 -37.011 2.665 1.00 14.44 C ATOM 1146 O SER A 70 -6.158 -37.794 2.248 1.00 54.45 O ATOM 1147 CB SER A 70 -2.989 -37.595 3.432 1.00 32.53 C ATOM 1148 OG SER A 70 -1.642 -37.830 3.053 1.00 1.44 O ATOM 0 H SER A 70 -2.664 -35.395 2.290 1.00 21.55 H new ATOM 0 HA SER A 70 -3.788 -37.896 1.443 1.00 12.24 H new ATOM 0 HB2 SER A 70 -3.022 -36.832 4.210 1.00 32.53 H new ATOM 0 HB3 SER A 70 -3.413 -38.504 3.859 1.00 32.53 H new ATOM 0 HG SER A 70 -1.087 -37.919 3.856 1.00 1.44 H new ATOM 1154 N LEU A 71 -5.592 -36.020 3.504 1.00 13.22 N ATOM 1155 CA LEU A 71 -6.945 -35.828 4.045 1.00 53.33 C ATOM 1156 C LEU A 71 -7.900 -35.216 3.007 1.00 5.20 C ATOM 1157 O LEU A 71 -9.050 -35.643 2.892 1.00 31.42 O ATOM 1158 CB LEU A 71 -6.893 -34.931 5.291 1.00 25.52 C ATOM 1159 CG LEU A 71 -8.252 -34.628 5.955 1.00 61.53 C ATOM 1160 CD1 LEU A 71 -8.930 -35.910 6.434 1.00 33.44 C ATOM 1161 CD2 LEU A 71 -8.079 -33.645 7.110 1.00 21.44 C ATOM 0 H LEU A 71 -4.910 -35.334 3.828 1.00 13.22 H new ATOM 0 HA LEU A 71 -7.330 -36.812 4.313 1.00 53.33 H new ATOM 0 HB2 LEU A 71 -6.246 -35.404 6.030 1.00 25.52 H new ATOM 0 HB3 LEU A 71 -6.425 -33.986 5.016 1.00 25.52 H new ATOM 0 HG LEU A 71 -8.897 -34.169 5.206 1.00 61.53 H new ATOM 0 HD11 LEU A 71 -9.886 -35.665 6.898 1.00 33.44 H new ATOM 0 HD12 LEU A 71 -9.098 -36.572 5.585 1.00 33.44 H new ATOM 0 HD13 LEU A 71 -8.291 -36.409 7.162 1.00 33.44 H new ATOM 0 HD21 LEU A 71 -9.049 -33.444 7.565 1.00 21.44 H new ATOM 0 HD22 LEU A 71 -7.410 -34.074 7.856 1.00 21.44 H new ATOM 0 HD23 LEU A 71 -7.654 -32.714 6.735 1.00 21.44 H new ATOM 1173 N GLU A 72 -7.411 -34.212 2.270 1.00 31.11 N ATOM 1174 CA GLU A 72 -8.212 -33.466 1.276 1.00 1.30 C ATOM 1175 C GLU A 72 -9.287 -32.564 1.920 1.00 3.04 C ATOM 1176 O GLU A 72 -9.371 -31.376 1.604 1.00 24.45 O ATOM 1177 CB GLU A 72 -8.863 -34.407 0.244 1.00 41.21 C ATOM 1178 CG GLU A 72 -7.877 -35.011 -0.752 1.00 75.25 C ATOM 1179 CD GLU A 72 -8.556 -35.826 -1.843 1.00 70.22 C ATOM 1180 OE1 GLU A 72 -9.555 -35.344 -2.423 1.00 13.32 O ATOM 1181 OE2 GLU A 72 -8.087 -36.945 -2.140 1.00 20.13 O ATOM 0 H GLU A 72 -6.446 -33.888 2.342 1.00 31.11 H new ATOM 0 HA GLU A 72 -7.505 -32.815 0.762 1.00 1.30 H new ATOM 0 HB2 GLU A 72 -9.371 -35.214 0.772 1.00 41.21 H new ATOM 0 HB3 GLU A 72 -9.627 -33.856 -0.305 1.00 41.21 H new ATOM 0 HG2 GLU A 72 -7.298 -34.210 -1.212 1.00 75.25 H new ATOM 0 HG3 GLU A 72 -7.172 -35.647 -0.217 1.00 75.25 H new ATOM 1188 N HIS A 73 -10.113 -33.129 2.802 1.00 43.41 N ATOM 1189 CA HIS A 73 -11.212 -32.386 3.436 1.00 50.23 C ATOM 1190 C HIS A 73 -10.731 -31.073 4.088 1.00 13.54 C ATOM 1191 O HIS A 73 -10.043 -31.081 5.113 1.00 51.32 O ATOM 1192 CB HIS A 73 -11.915 -33.266 4.480 1.00 14.34 C ATOM 1193 CG HIS A 73 -13.176 -32.664 5.026 1.00 53.34 C ATOM 1194 ND1 HIS A 73 -14.407 -32.846 4.438 1.00 55.13 N ATOM 1195 CD2 HIS A 73 -13.395 -31.873 6.105 1.00 55.12 C ATOM 1196 CE1 HIS A 73 -15.324 -32.198 5.123 1.00 73.04 C ATOM 1197 NE2 HIS A 73 -14.740 -31.601 6.140 1.00 11.11 N ATOM 0 H HIS A 73 -10.044 -34.103 3.097 1.00 43.41 H new ATOM 0 HA HIS A 73 -11.917 -32.119 2.649 1.00 50.23 H new ATOM 0 HB2 HIS A 73 -12.149 -34.231 4.030 1.00 14.34 H new ATOM 0 HB3 HIS A 73 -11.227 -33.456 5.304 1.00 14.34 H new ATOM 0 HD2 HIS A 73 -12.651 -31.523 6.805 1.00 55.12 H new ATOM 0 HE1 HIS A 73 -16.378 -32.162 4.890 1.00 73.04 H new ATOM 0 HE2 HIS A 73 -15.211 -31.029 6.841 1.00 11.11 H new ATOM 1206 N HIS A 74 -11.109 -29.947 3.484 1.00 15.44 N ATOM 1207 CA HIS A 74 -10.749 -28.623 4.002 1.00 4.23 C ATOM 1208 C HIS A 74 -11.451 -28.353 5.346 1.00 44.43 C ATOM 1209 O HIS A 74 -12.622 -28.689 5.522 1.00 61.43 O ATOM 1210 CB HIS A 74 -11.118 -27.540 2.979 1.00 35.33 C ATOM 1211 CG HIS A 74 -10.542 -27.782 1.613 1.00 54.33 C ATOM 1212 ND1 HIS A 74 -11.257 -27.594 0.451 1.00 54.24 N ATOM 1213 CD2 HIS A 74 -9.314 -28.212 1.226 1.00 32.22 C ATOM 1214 CE1 HIS A 74 -10.501 -27.899 -0.585 1.00 51.15 C ATOM 1215 NE2 HIS A 74 -9.318 -28.278 -0.146 1.00 22.05 N ATOM 0 H HIS A 74 -11.667 -29.923 2.631 1.00 15.44 H new ATOM 0 HA HIS A 74 -9.672 -28.598 4.170 1.00 4.23 H new ATOM 0 HB2 HIS A 74 -12.204 -27.480 2.901 1.00 35.33 H new ATOM 0 HB3 HIS A 74 -10.771 -26.573 3.344 1.00 35.33 H new ATOM 0 HD2 HIS A 74 -8.487 -28.457 1.876 1.00 32.22 H new ATOM 0 HE1 HIS A 74 -10.801 -27.847 -1.621 1.00 51.15 H new ATOM 0 HE2 HIS A 74 -8.534 -28.572 -0.729 1.00 22.05 H new ATOM 1224 N HIS A 75 -10.740 -27.737 6.289 1.00 11.11 N ATOM 1225 CA HIS A 75 -11.262 -27.559 7.651 1.00 41.30 C ATOM 1226 C HIS A 75 -10.647 -26.337 8.350 1.00 11.35 C ATOM 1227 O HIS A 75 -9.521 -25.940 8.055 1.00 40.33 O ATOM 1228 CB HIS A 75 -10.988 -28.823 8.479 1.00 33.25 C ATOM 1229 CG HIS A 75 -9.539 -29.210 8.517 1.00 53.33 C ATOM 1230 ND1 HIS A 75 -8.947 -29.985 7.545 1.00 4.35 N ATOM 1231 CD2 HIS A 75 -8.558 -28.915 9.404 1.00 3.02 C ATOM 1232 CE1 HIS A 75 -7.673 -30.150 7.828 1.00 3.53 C ATOM 1233 NE2 HIS A 75 -7.410 -29.514 8.948 1.00 53.35 N ATOM 0 H HIS A 75 -9.807 -27.354 6.141 1.00 11.11 H new ATOM 0 HA HIS A 75 -12.336 -27.388 7.574 1.00 41.30 H new ATOM 0 HB2 HIS A 75 -11.340 -28.664 9.498 1.00 33.25 H new ATOM 0 HB3 HIS A 75 -11.566 -29.650 8.067 1.00 33.25 H new ATOM 0 HD1 HIS A 75 -9.423 -30.372 6.730 1.00 4.35 H new ATOM 0 HD2 HIS A 75 -8.660 -28.321 10.300 1.00 3.02 H new ATOM 0 HE1 HIS A 75 -6.963 -30.713 7.240 1.00 3.53 H new ATOM 1242 N HIS A 76 -11.399 -25.749 9.277 1.00 2.44 N ATOM 1243 CA HIS A 76 -10.913 -24.618 10.082 1.00 24.41 C ATOM 1244 C HIS A 76 -11.143 -24.864 11.582 1.00 63.21 C ATOM 1245 O HIS A 76 -12.114 -25.515 11.973 1.00 74.14 O ATOM 1246 CB HIS A 76 -11.605 -23.311 9.657 1.00 2.05 C ATOM 1247 CG HIS A 76 -11.149 -22.786 8.329 1.00 21.12 C ATOM 1248 ND1 HIS A 76 -10.345 -21.674 8.198 1.00 33.13 N ATOM 1249 CD2 HIS A 76 -11.394 -23.216 7.069 1.00 32.42 C ATOM 1250 CE1 HIS A 76 -10.114 -21.445 6.922 1.00 60.42 C ATOM 1251 NE2 HIS A 76 -10.737 -22.364 6.217 1.00 34.11 N ATOM 0 H HIS A 76 -12.354 -26.035 9.494 1.00 2.44 H new ATOM 0 HA HIS A 76 -9.841 -24.526 9.907 1.00 24.41 H new ATOM 0 HB2 HIS A 76 -12.682 -23.477 9.621 1.00 2.05 H new ATOM 0 HB3 HIS A 76 -11.425 -22.552 10.418 1.00 2.05 H new ATOM 0 HD2 HIS A 76 -11.994 -24.069 6.787 1.00 32.42 H new ATOM 0 HE1 HIS A 76 -9.515 -20.640 6.523 1.00 60.42 H new ATOM 0 HE2 HIS A 76 -10.733 -22.433 5.199 1.00 34.11 H new ATOM 1260 N HIS A 77 -10.239 -24.359 12.418 1.00 73.42 N ATOM 1261 CA HIS A 77 -10.402 -24.448 13.871 1.00 63.40 C ATOM 1262 C HIS A 77 -11.391 -23.383 14.374 1.00 61.51 C ATOM 1263 O HIS A 77 -12.136 -23.612 15.328 1.00 55.52 O ATOM 1264 CB HIS A 77 -9.046 -24.288 14.574 1.00 64.35 C ATOM 1265 CG HIS A 77 -9.115 -24.480 16.059 1.00 42.40 C ATOM 1266 ND1 HIS A 77 -9.021 -23.445 16.965 1.00 11.11 N ATOM 1267 CD2 HIS A 77 -9.276 -25.603 16.795 1.00 54.13 C ATOM 1268 CE1 HIS A 77 -9.119 -23.924 18.189 1.00 32.45 C ATOM 1269 NE2 HIS A 77 -9.275 -25.230 18.115 1.00 44.34 N ATOM 0 H HIS A 77 -9.387 -23.885 12.118 1.00 73.42 H new ATOM 0 HA HIS A 77 -10.805 -25.432 14.109 1.00 63.40 H new ATOM 0 HB2 HIS A 77 -8.342 -25.007 14.155 1.00 64.35 H new ATOM 0 HB3 HIS A 77 -8.651 -23.294 14.362 1.00 64.35 H new ATOM 0 HD2 HIS A 77 -9.385 -26.608 16.414 1.00 54.13 H new ATOM 0 HE1 HIS A 77 -9.078 -23.344 19.099 1.00 32.45 H new ATOM 0 HE2 HIS A 77 -9.378 -25.861 18.910 1.00 44.34 H new ATOM 1278 N HIS A 78 -11.393 -22.224 13.719 1.00 72.52 N ATOM 1279 CA HIS A 78 -12.293 -21.122 14.084 1.00 21.23 C ATOM 1280 C HIS A 78 -12.773 -20.348 12.837 1.00 63.14 C ATOM 1281 O HIS A 78 -12.044 -19.447 12.366 1.00 37.48 O ATOM 1282 CB HIS A 78 -11.586 -20.177 15.068 1.00 44.44 C ATOM 1283 CG HIS A 78 -12.420 -19.004 15.489 1.00 3.22 C ATOM 1284 ND1 HIS A 78 -12.220 -17.724 15.015 1.00 44.33 N ATOM 1285 CD2 HIS A 78 -13.463 -18.920 16.349 1.00 23.05 C ATOM 1286 CE1 HIS A 78 -13.100 -16.911 15.563 1.00 53.42 C ATOM 1287 NE2 HIS A 78 -13.863 -17.610 16.372 1.00 24.14 N ATOM 1288 OXT HIS A 78 -13.886 -20.639 12.343 1.00 37.48 O ATOM 0 H HIS A 78 -10.781 -22.019 12.929 1.00 72.52 H new ATOM 0 HA HIS A 78 -13.175 -21.546 14.565 1.00 21.23 H new ATOM 0 HB2 HIS A 78 -11.297 -20.741 15.954 1.00 44.44 H new ATOM 0 HB3 HIS A 78 -10.667 -19.811 14.609 1.00 44.44 H new ATOM 0 HD2 HIS A 78 -13.898 -19.733 16.911 1.00 23.05 H new ATOM 0 HE1 HIS A 78 -13.180 -15.850 15.378 1.00 53.42 H new ATOM 0 HE2 HIS A 78 -14.632 -17.237 16.929 1.00 24.14 H new TER 1297 HIS A 78