USER MOD reduce.3.24.130724 H: found=0, std=0, add=803, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 803 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 86 HIS : no HD1:sc= 1.03 K(o=2.3,f=-1) USER MOD Set 1.2: A 91 THR OG1 : rot -118:sc= 1.28 USER MOD Set 2.1: A 46 ASN : amide:sc= -0.251 K(o=0.049,f=-2.8!) USER MOD Set 2.2: A 78 SER OG : rot 162:sc= 0.3 USER MOD Set 3.1: A 44 HIS : no HE2:sc= -0.188 K(o=-1.1,f=-5.5!) USER MOD Set 3.2: A 84 ASN : amide:sc= -0.876 K(o=-1.1,f=-4.5!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 134:sc= 0.0584 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 HIS : no HD1:sc= -0.0567 X(o=-0.057,f=-0.5) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HD1:sc=-0.00438 X(o=-0.0044,f=-0.0044) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=-0.06) USER MOD Single : A 8 HIS : no HE2:sc= 0.428 K(o=0.43,f=-1.5!) USER MOD Single : A 10 ASN : amide:sc= 0.116 K(o=0.12,f=-1.6) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= 0.138 K(o=0.14,f=-0.37) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 HIS : no HD1:sc= 0.16 K(o=0.16,f=-2.2!) USER MOD Single : A 17 MET CE :methyl -164:sc= -0.0803 (180deg=-0.458) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0.00124 USER MOD Single : A 27 GLN : amide:sc= -1.21 K(o=-1.2,f=-0.27) USER MOD Single : A 33 HIS : no HE2:sc= -1.28 K(o=-1.3,f=-2.4!) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -1.74 K(o=-1.7,f=-0.0064) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ -166:sc= 0.615 (180deg=0.248) USER MOD Single : A 72 LYS NZ :NH3+ 175:sc= 0.35 (180deg=0.204) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot -87:sc= -0.578 USER MOD Single : A 90 GLN : amide:sc= -0.474 X(o=-0.47,f=0) USER MOD Single : A 93 THR OG1 : rot 41:sc= 0.381 USER MOD Single : A 95 ASN : amide:sc=-0.00327 X(o=-0.0033,f=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 31.801 12.815 -29.956 1.00 41.32 N ATOM 2 CA MET A 1 31.368 11.433 -30.255 1.00 41.32 C ATOM 3 C MET A 1 31.444 10.571 -28.979 1.00 4.51 C ATOM 4 O MET A 1 32.271 10.821 -28.091 1.00 2.42 O ATOM 5 CB MET A 1 32.217 10.812 -31.406 1.00 30.22 C ATOM 6 CG MET A 1 33.738 10.757 -31.161 1.00 5.12 C ATOM 7 SD MET A 1 34.632 10.018 -32.548 1.00 32.22 S ATOM 8 CE MET A 1 36.326 10.029 -31.954 1.00 73.02 C ATOM 0 H1 MET A 1 32.460 13.139 -30.693 1.00 41.32 H new ATOM 0 H2 MET A 1 30.971 13.442 -29.933 1.00 41.32 H new ATOM 0 H3 MET A 1 32.277 12.837 -29.032 1.00 41.32 H new ATOM 0 HA MET A 1 30.333 11.460 -30.595 1.00 41.32 H new ATOM 0 HB2 MET A 1 31.860 9.798 -31.589 1.00 30.22 H new ATOM 0 HB3 MET A 1 32.035 11.384 -32.316 1.00 30.22 H new ATOM 0 HG2 MET A 1 34.112 11.766 -30.987 1.00 5.12 H new ATOM 0 HG3 MET A 1 33.937 10.183 -30.256 1.00 5.12 H new ATOM 0 HE1 MET A 1 36.980 9.600 -32.713 1.00 73.02 H new ATOM 0 HE2 MET A 1 36.633 11.054 -31.748 1.00 73.02 H new ATOM 0 HE3 MET A 1 36.395 9.439 -31.040 1.00 73.02 H new ATOM 20 N GLY A 2 30.554 9.568 -28.906 1.00 24.33 N ATOM 21 CA GLY A 2 30.498 8.618 -27.792 1.00 54.41 C ATOM 22 C GLY A 2 30.073 7.236 -28.276 1.00 42.32 C ATOM 23 O GLY A 2 28.996 6.743 -27.903 1.00 74.14 O ATOM 0 H GLY A 2 29.851 9.396 -29.624 1.00 24.33 H new ATOM 0 HA2 GLY A 2 31.475 8.555 -27.313 1.00 54.41 H new ATOM 0 HA3 GLY A 2 29.796 8.976 -27.039 1.00 54.41 H new ATOM 27 N HIS A 3 30.938 6.631 -29.127 1.00 71.02 N ATOM 28 CA HIS A 3 30.698 5.324 -29.791 1.00 43.31 C ATOM 29 C HIS A 3 30.405 4.207 -28.776 1.00 52.32 C ATOM 30 O HIS A 3 29.448 3.440 -28.940 1.00 24.15 O ATOM 31 CB HIS A 3 31.936 4.967 -30.665 1.00 54.41 C ATOM 32 CG HIS A 3 31.875 3.645 -31.406 1.00 65.20 C ATOM 33 ND1 HIS A 3 31.368 3.517 -32.683 1.00 34.30 N ATOM 34 CD2 HIS A 3 32.315 2.407 -31.064 1.00 53.21 C ATOM 35 CE1 HIS A 3 31.493 2.267 -33.083 1.00 74.23 C ATOM 36 NE2 HIS A 3 32.063 1.578 -32.121 1.00 13.12 N ATOM 0 H HIS A 3 31.837 7.044 -29.376 1.00 71.02 H new ATOM 0 HA HIS A 3 29.813 5.412 -30.421 1.00 43.31 H new ATOM 0 HB2 HIS A 3 32.080 5.763 -31.396 1.00 54.41 H new ATOM 0 HB3 HIS A 3 32.817 4.960 -30.024 1.00 54.41 H new ATOM 0 HD2 HIS A 3 32.779 2.129 -30.129 1.00 53.21 H new ATOM 0 HE1 HIS A 3 31.180 1.876 -34.040 1.00 74.23 H new ATOM 0 HE2 HIS A 3 32.283 0.583 -32.157 1.00 13.12 H new ATOM 45 N HIS A 4 31.239 4.124 -27.730 1.00 25.32 N ATOM 46 CA HIS A 4 31.068 3.153 -26.632 1.00 30.20 C ATOM 47 C HIS A 4 31.095 3.911 -25.296 1.00 14.33 C ATOM 48 O HIS A 4 31.819 3.558 -24.352 1.00 75.44 O ATOM 49 CB HIS A 4 32.157 2.049 -26.709 1.00 2.54 C ATOM 50 CG HIS A 4 31.903 0.863 -25.802 1.00 3.42 C ATOM 51 ND1 HIS A 4 32.446 0.746 -24.541 1.00 64.03 N ATOM 52 CD2 HIS A 4 31.168 -0.255 -25.988 1.00 52.43 C ATOM 53 CE1 HIS A 4 32.055 -0.385 -23.997 1.00 50.24 C ATOM 54 NE2 HIS A 4 31.282 -1.009 -24.856 1.00 74.24 N ATOM 0 H HIS A 4 32.053 4.728 -27.618 1.00 25.32 H new ATOM 0 HA HIS A 4 30.107 2.646 -26.719 1.00 30.20 H new ATOM 0 HB2 HIS A 4 32.229 1.697 -27.738 1.00 2.54 H new ATOM 0 HB3 HIS A 4 33.122 2.487 -26.454 1.00 2.54 H new ATOM 0 HD2 HIS A 4 30.596 -0.506 -26.869 1.00 52.43 H new ATOM 0 HE1 HIS A 4 32.323 -0.740 -23.013 1.00 50.24 H new ATOM 0 HE2 HIS A 4 30.837 -1.914 -24.702 1.00 74.24 H new ATOM 63 N HIS A 5 30.306 4.993 -25.250 1.00 33.22 N ATOM 64 CA HIS A 5 30.087 5.774 -24.027 1.00 41.51 C ATOM 65 C HIS A 5 29.191 4.977 -23.072 1.00 23.20 C ATOM 66 O HIS A 5 29.574 4.683 -21.935 1.00 0.30 O ATOM 67 CB HIS A 5 29.448 7.146 -24.375 1.00 11.45 C ATOM 68 CG HIS A 5 29.170 8.036 -23.178 1.00 62.53 C ATOM 69 ND1 HIS A 5 27.903 8.470 -22.836 1.00 43.14 N ATOM 70 CD2 HIS A 5 30.005 8.589 -22.256 1.00 42.52 C ATOM 71 CE1 HIS A 5 27.973 9.236 -21.764 1.00 45.20 C ATOM 72 NE2 HIS A 5 29.234 9.324 -21.395 1.00 55.53 N ATOM 0 H HIS A 5 29.802 5.351 -26.061 1.00 33.22 H new ATOM 0 HA HIS A 5 31.042 5.964 -23.537 1.00 41.51 H new ATOM 0 HB2 HIS A 5 30.110 7.677 -25.060 1.00 11.45 H new ATOM 0 HB3 HIS A 5 28.512 6.972 -24.907 1.00 11.45 H new ATOM 0 HD2 HIS A 5 31.078 8.470 -22.212 1.00 42.52 H new ATOM 0 HE1 HIS A 5 27.137 9.711 -21.272 1.00 45.20 H new ATOM 0 HE2 HIS A 5 29.581 9.855 -20.596 1.00 55.53 H new ATOM 81 N HIS A 6 28.001 4.616 -23.564 1.00 64.13 N ATOM 82 CA HIS A 6 27.012 3.851 -22.796 1.00 71.14 C ATOM 83 C HIS A 6 27.285 2.347 -22.915 1.00 1.13 C ATOM 84 O HIS A 6 27.760 1.866 -23.952 1.00 4.32 O ATOM 85 CB HIS A 6 25.576 4.173 -23.286 1.00 10.12 C ATOM 86 CG HIS A 6 24.486 3.594 -22.407 1.00 45.12 C ATOM 87 ND1 HIS A 6 23.564 2.654 -22.833 1.00 52.30 N ATOM 88 CD2 HIS A 6 24.180 3.842 -21.113 1.00 5.25 C ATOM 89 CE1 HIS A 6 22.755 2.357 -21.832 1.00 62.15 C ATOM 90 NE2 HIS A 6 23.110 3.065 -20.787 1.00 12.23 N ATOM 0 H HIS A 6 27.695 4.847 -24.509 1.00 64.13 H new ATOM 0 HA HIS A 6 27.096 4.139 -21.748 1.00 71.14 H new ATOM 0 HB2 HIS A 6 25.453 5.255 -23.336 1.00 10.12 H new ATOM 0 HB3 HIS A 6 25.454 3.791 -24.300 1.00 10.12 H new ATOM 0 HD2 HIS A 6 24.691 4.531 -20.457 1.00 5.25 H new ATOM 0 HE1 HIS A 6 21.939 1.650 -21.868 1.00 62.15 H new ATOM 0 HE2 HIS A 6 22.656 3.038 -19.874 1.00 12.23 H new ATOM 99 N HIS A 7 26.988 1.628 -21.831 1.00 75.10 N ATOM 100 CA HIS A 7 27.019 0.169 -21.785 1.00 31.01 C ATOM 101 C HIS A 7 25.574 -0.341 -21.884 1.00 22.20 C ATOM 102 O HIS A 7 24.790 -0.201 -20.936 1.00 32.13 O ATOM 103 CB HIS A 7 27.709 -0.317 -20.483 1.00 54.55 C ATOM 104 CG HIS A 7 29.165 0.087 -20.386 1.00 50.42 C ATOM 105 ND1 HIS A 7 29.576 1.350 -20.003 1.00 23.21 N ATOM 106 CD2 HIS A 7 30.299 -0.598 -20.655 1.00 73.21 C ATOM 107 CE1 HIS A 7 30.892 1.415 -20.050 1.00 10.53 C ATOM 108 NE2 HIS A 7 31.355 0.246 -20.438 1.00 41.32 N ATOM 0 H HIS A 7 26.714 2.053 -20.945 1.00 75.10 H new ATOM 0 HA HIS A 7 27.599 -0.228 -22.618 1.00 31.01 H new ATOM 0 HB2 HIS A 7 27.171 0.084 -19.624 1.00 54.55 H new ATOM 0 HB3 HIS A 7 27.637 -1.403 -20.426 1.00 54.55 H new ATOM 0 HD2 HIS A 7 30.361 -1.625 -20.982 1.00 73.21 H new ATOM 0 HE1 HIS A 7 31.490 2.282 -19.810 1.00 10.53 H new ATOM 0 HE2 HIS A 7 32.340 0.008 -20.558 1.00 41.32 H new ATOM 117 N HIS A 8 25.222 -0.876 -23.073 1.00 32.24 N ATOM 118 CA HIS A 8 23.902 -1.495 -23.338 1.00 4.43 C ATOM 119 C HIS A 8 23.684 -2.697 -22.401 1.00 72.23 C ATOM 120 O HIS A 8 22.559 -3.000 -21.996 1.00 42.05 O ATOM 121 CB HIS A 8 23.826 -1.927 -24.829 1.00 43.21 C ATOM 122 CG HIS A 8 22.537 -2.588 -25.246 1.00 1.34 C ATOM 123 ND1 HIS A 8 22.338 -3.947 -25.159 1.00 15.50 N ATOM 124 CD2 HIS A 8 21.408 -2.085 -25.799 1.00 20.23 C ATOM 125 CE1 HIS A 8 21.152 -4.247 -25.630 1.00 71.33 C ATOM 126 NE2 HIS A 8 20.567 -3.138 -26.024 1.00 1.42 N ATOM 0 H HIS A 8 25.846 -0.892 -23.880 1.00 32.24 H new ATOM 0 HA HIS A 8 23.111 -0.771 -23.144 1.00 4.43 H new ATOM 0 HB2 HIS A 8 23.982 -1.047 -25.453 1.00 43.21 H new ATOM 0 HB3 HIS A 8 24.649 -2.612 -25.033 1.00 43.21 H new ATOM 0 HD1 HIS A 8 23.010 -4.618 -24.786 1.00 15.50 H new ATOM 0 HD2 HIS A 8 21.210 -1.047 -26.021 1.00 20.23 H new ATOM 0 HE1 HIS A 8 20.727 -5.238 -25.685 1.00 71.33 H new ATOM 135 N GLU A 9 24.796 -3.363 -22.080 1.00 12.22 N ATOM 136 CA GLU A 9 24.841 -4.463 -21.124 1.00 15.01 C ATOM 137 C GLU A 9 24.877 -3.912 -19.683 1.00 70.12 C ATOM 138 O GLU A 9 25.659 -3.000 -19.386 1.00 61.04 O ATOM 139 CB GLU A 9 26.099 -5.328 -21.402 1.00 44.54 C ATOM 140 CG GLU A 9 26.249 -5.806 -22.869 1.00 41.22 C ATOM 141 CD GLU A 9 25.059 -6.635 -23.379 1.00 31.25 C ATOM 142 OE1 GLU A 9 24.257 -6.121 -24.192 1.00 42.14 O ATOM 143 OE2 GLU A 9 24.920 -7.810 -22.973 1.00 13.52 O ATOM 0 H GLU A 9 25.706 -3.146 -22.487 1.00 12.22 H new ATOM 0 HA GLU A 9 23.948 -5.079 -21.234 1.00 15.01 H new ATOM 0 HB2 GLU A 9 26.985 -4.754 -21.130 1.00 44.54 H new ATOM 0 HB3 GLU A 9 26.073 -6.202 -20.751 1.00 44.54 H new ATOM 0 HG2 GLU A 9 26.376 -4.936 -23.513 1.00 41.22 H new ATOM 0 HG3 GLU A 9 27.158 -6.402 -22.956 1.00 41.22 H new ATOM 150 N ASN A 10 24.027 -4.468 -18.802 1.00 65.21 N ATOM 151 CA ASN A 10 24.002 -4.104 -17.362 1.00 61.32 C ATOM 152 C ASN A 10 23.925 -5.380 -16.505 1.00 52.00 C ATOM 153 O ASN A 10 23.376 -6.398 -16.940 1.00 35.40 O ATOM 154 CB ASN A 10 22.811 -3.151 -17.055 1.00 70.03 C ATOM 155 CG ASN A 10 22.878 -2.542 -15.644 1.00 31.43 C ATOM 156 OD1 ASN A 10 22.416 -3.127 -14.674 1.00 24.24 O ATOM 157 ND2 ASN A 10 23.469 -1.369 -15.517 1.00 73.24 N ATOM 0 H ASN A 10 23.341 -5.177 -19.059 1.00 65.21 H new ATOM 0 HA ASN A 10 24.921 -3.573 -17.114 1.00 61.32 H new ATOM 0 HB2 ASN A 10 22.796 -2.348 -17.791 1.00 70.03 H new ATOM 0 HB3 ASN A 10 21.876 -3.700 -17.164 1.00 70.03 H new ATOM 0 HD21 ASN A 10 23.547 -0.934 -14.598 1.00 73.24 H new ATOM 0 HD22 ASN A 10 23.848 -0.897 -16.338 1.00 73.24 H new ATOM 164 N LEU A 11 24.480 -5.309 -15.284 1.00 25.14 N ATOM 165 CA LEU A 11 24.631 -6.476 -14.391 1.00 14.23 C ATOM 166 C LEU A 11 23.317 -6.810 -13.655 1.00 65.10 C ATOM 167 O LEU A 11 22.982 -7.985 -13.480 1.00 42.31 O ATOM 168 CB LEU A 11 25.785 -6.251 -13.360 1.00 51.03 C ATOM 169 CG LEU A 11 27.250 -6.183 -13.934 1.00 42.25 C ATOM 170 CD1 LEU A 11 27.579 -7.423 -14.799 1.00 23.25 C ATOM 171 CD2 LEU A 11 27.519 -4.868 -14.708 1.00 31.42 C ATOM 0 H LEU A 11 24.838 -4.441 -14.885 1.00 25.14 H new ATOM 0 HA LEU A 11 24.887 -7.327 -15.022 1.00 14.23 H new ATOM 0 HB2 LEU A 11 25.586 -5.322 -12.826 1.00 51.03 H new ATOM 0 HB3 LEU A 11 25.745 -7.055 -12.626 1.00 51.03 H new ATOM 0 HG LEU A 11 27.922 -6.188 -13.076 1.00 42.25 H new ATOM 0 HD11 LEU A 11 28.598 -7.342 -15.178 1.00 23.25 H new ATOM 0 HD12 LEU A 11 27.488 -8.324 -14.193 1.00 23.25 H new ATOM 0 HD13 LEU A 11 26.883 -7.478 -15.636 1.00 23.25 H new ATOM 0 HD21 LEU A 11 28.542 -4.870 -15.084 1.00 31.42 H new ATOM 0 HD22 LEU A 11 26.825 -4.790 -15.545 1.00 31.42 H new ATOM 0 HD23 LEU A 11 27.379 -4.018 -14.040 1.00 31.42 H new ATOM 183 N TYR A 12 22.592 -5.765 -13.225 1.00 14.24 N ATOM 184 CA TYR A 12 21.341 -5.896 -12.451 1.00 73.35 C ATOM 185 C TYR A 12 20.177 -5.272 -13.257 1.00 52.51 C ATOM 186 O TYR A 12 20.160 -4.069 -13.510 1.00 31.33 O ATOM 187 CB TYR A 12 21.498 -5.245 -11.031 1.00 2.31 C ATOM 188 CG TYR A 12 21.807 -3.728 -11.019 1.00 61.52 C ATOM 189 CD1 TYR A 12 23.070 -3.237 -11.377 1.00 72.40 C ATOM 190 CD2 TYR A 12 20.824 -2.785 -10.673 1.00 1.33 C ATOM 191 CE1 TYR A 12 23.337 -1.878 -11.389 1.00 43.45 C ATOM 192 CE2 TYR A 12 21.089 -1.428 -10.690 1.00 54.52 C ATOM 193 CZ TYR A 12 22.343 -0.980 -11.048 1.00 3.52 C ATOM 194 OH TYR A 12 22.601 0.380 -11.078 1.00 34.44 O ATOM 0 H TYR A 12 22.857 -4.797 -13.405 1.00 14.24 H new ATOM 0 HA TYR A 12 21.115 -6.950 -12.288 1.00 73.35 H new ATOM 0 HB2 TYR A 12 20.579 -5.414 -10.470 1.00 2.31 H new ATOM 0 HB3 TYR A 12 22.296 -5.764 -10.500 1.00 2.31 H new ATOM 0 HD1 TYR A 12 23.851 -3.932 -11.649 1.00 72.40 H new ATOM 0 HD2 TYR A 12 19.840 -3.128 -10.388 1.00 1.33 H new ATOM 0 HE1 TYR A 12 24.319 -1.521 -11.664 1.00 43.45 H new ATOM 0 HE2 TYR A 12 20.317 -0.722 -10.424 1.00 54.52 H new ATOM 0 HH TYR A 12 21.796 0.872 -10.812 1.00 34.44 H new ATOM 204 N PHE A 13 19.235 -6.109 -13.713 1.00 64.03 N ATOM 205 CA PHE A 13 18.043 -5.639 -14.453 1.00 1.11 C ATOM 206 C PHE A 13 17.041 -4.972 -13.488 1.00 11.54 C ATOM 207 O PHE A 13 16.615 -3.832 -13.704 1.00 51.53 O ATOM 208 CB PHE A 13 17.380 -6.819 -15.216 1.00 24.24 C ATOM 209 CG PHE A 13 16.169 -6.408 -16.061 1.00 44.25 C ATOM 210 CD1 PHE A 13 16.345 -5.730 -17.271 1.00 53.43 C ATOM 211 CD2 PHE A 13 14.860 -6.678 -15.647 1.00 53.21 C ATOM 212 CE1 PHE A 13 15.259 -5.342 -18.033 1.00 70.34 C ATOM 213 CE2 PHE A 13 13.779 -6.289 -16.411 1.00 14.14 C ATOM 214 CZ PHE A 13 13.977 -5.621 -17.604 1.00 5.13 C ATOM 0 H PHE A 13 19.271 -7.120 -13.584 1.00 64.03 H new ATOM 0 HA PHE A 13 18.355 -4.895 -15.186 1.00 1.11 H new ATOM 0 HB2 PHE A 13 18.123 -7.283 -15.865 1.00 24.24 H new ATOM 0 HB3 PHE A 13 17.069 -7.576 -14.496 1.00 24.24 H new ATOM 0 HD1 PHE A 13 17.344 -5.506 -17.615 1.00 53.43 H new ATOM 0 HD2 PHE A 13 14.693 -7.199 -14.716 1.00 53.21 H new ATOM 0 HE1 PHE A 13 15.414 -4.820 -18.966 1.00 70.34 H new ATOM 0 HE2 PHE A 13 12.776 -6.507 -16.076 1.00 14.14 H new ATOM 0 HZ PHE A 13 13.129 -5.317 -18.200 1.00 5.13 H new ATOM 224 N GLN A 14 16.697 -5.702 -12.417 1.00 54.24 N ATOM 225 CA GLN A 14 15.665 -5.296 -11.447 1.00 42.05 C ATOM 226 C GLN A 14 15.916 -6.004 -10.098 1.00 43.13 C ATOM 227 O GLN A 14 16.526 -7.081 -10.050 1.00 5.12 O ATOM 228 CB GLN A 14 14.251 -5.654 -12.013 1.00 73.30 C ATOM 229 CG GLN A 14 13.045 -5.331 -11.090 1.00 72.24 C ATOM 230 CD GLN A 14 12.757 -3.835 -10.899 1.00 64.53 C ATOM 231 OE1 GLN A 14 12.996 -3.013 -11.782 1.00 32.31 O ATOM 232 NE2 GLN A 14 12.232 -3.471 -9.745 1.00 31.13 N ATOM 0 H GLN A 14 17.130 -6.599 -12.196 1.00 54.24 H new ATOM 0 HA GLN A 14 15.711 -4.219 -11.283 1.00 42.05 H new ATOM 0 HB2 GLN A 14 14.114 -5.123 -12.955 1.00 73.30 H new ATOM 0 HB3 GLN A 14 14.233 -6.720 -12.242 1.00 73.30 H new ATOM 0 HG2 GLN A 14 12.155 -5.808 -11.500 1.00 72.24 H new ATOM 0 HG3 GLN A 14 13.225 -5.779 -10.113 1.00 72.24 H new ATOM 0 HE21 GLN A 14 12.043 -4.171 -9.028 1.00 31.13 H new ATOM 0 HE22 GLN A 14 12.015 -2.490 -9.570 1.00 31.13 H new ATOM 241 N SER A 15 15.475 -5.369 -9.014 1.00 73.04 N ATOM 242 CA SER A 15 15.489 -5.942 -7.657 1.00 3.03 C ATOM 243 C SER A 15 14.107 -5.714 -7.014 1.00 42.04 C ATOM 244 O SER A 15 13.131 -5.434 -7.725 1.00 11.04 O ATOM 245 CB SER A 15 16.624 -5.274 -6.838 1.00 73.11 C ATOM 246 OG SER A 15 17.881 -5.437 -7.482 1.00 61.24 O ATOM 0 H SER A 15 15.090 -4.425 -9.048 1.00 73.04 H new ATOM 0 HA SER A 15 15.682 -7.014 -7.684 1.00 3.03 H new ATOM 0 HB2 SER A 15 16.411 -4.212 -6.713 1.00 73.11 H new ATOM 0 HB3 SER A 15 16.663 -5.711 -5.840 1.00 73.11 H new ATOM 0 HG SER A 15 18.581 -5.006 -6.948 1.00 61.24 H new ATOM 252 N HIS A 16 14.008 -5.886 -5.684 1.00 53.51 N ATOM 253 CA HIS A 16 12.826 -5.446 -4.919 1.00 54.23 C ATOM 254 C HIS A 16 12.761 -3.912 -4.911 1.00 52.22 C ATOM 255 O HIS A 16 11.671 -3.332 -4.994 1.00 4.24 O ATOM 256 CB HIS A 16 12.859 -5.982 -3.467 1.00 31.35 C ATOM 257 CG HIS A 16 12.573 -7.450 -3.337 1.00 53.44 C ATOM 258 ND1 HIS A 16 13.395 -8.322 -2.666 1.00 32.12 N ATOM 259 CD2 HIS A 16 11.517 -8.185 -3.760 1.00 34.11 C ATOM 260 CE1 HIS A 16 12.859 -9.520 -2.676 1.00 44.14 C ATOM 261 NE2 HIS A 16 11.720 -9.464 -3.332 1.00 63.32 N ATOM 0 H HIS A 16 14.732 -6.326 -5.116 1.00 53.51 H new ATOM 0 HA HIS A 16 11.937 -5.850 -5.403 1.00 54.23 H new ATOM 0 HB2 HIS A 16 13.841 -5.777 -3.040 1.00 31.35 H new ATOM 0 HB3 HIS A 16 12.131 -5.429 -2.873 1.00 31.35 H new ATOM 0 HD2 HIS A 16 10.673 -7.826 -4.329 1.00 34.11 H new ATOM 0 HE1 HIS A 16 13.282 -10.404 -2.222 1.00 44.14 H new ATOM 0 HE2 HIS A 16 11.091 -10.250 -3.494 1.00 63.32 H new ATOM 270 N MET A 17 13.965 -3.282 -4.795 1.00 52.50 N ATOM 271 CA MET A 17 14.139 -1.810 -4.781 1.00 13.23 C ATOM 272 C MET A 17 13.294 -1.207 -3.631 1.00 32.14 C ATOM 273 O MET A 17 12.748 -0.111 -3.741 1.00 4.33 O ATOM 274 CB MET A 17 13.767 -1.240 -6.197 1.00 74.25 C ATOM 275 CG MET A 17 14.216 0.207 -6.474 1.00 40.23 C ATOM 276 SD MET A 17 13.766 0.787 -8.128 1.00 23.10 S ATOM 277 CE MET A 17 14.686 -0.335 -9.188 1.00 72.45 C ATOM 0 H MET A 17 14.845 -3.791 -4.708 1.00 52.50 H new ATOM 0 HA MET A 17 15.175 -1.532 -4.587 1.00 13.23 H new ATOM 0 HB2 MET A 17 14.205 -1.888 -6.956 1.00 74.25 H new ATOM 0 HB3 MET A 17 12.685 -1.294 -6.317 1.00 74.25 H new ATOM 0 HG2 MET A 17 13.770 0.868 -5.730 1.00 40.23 H new ATOM 0 HG3 MET A 17 15.297 0.275 -6.354 1.00 40.23 H new ATOM 0 HE1 MET A 17 14.732 0.073 -10.198 1.00 72.45 H new ATOM 0 HE2 MET A 17 15.697 -0.456 -8.799 1.00 72.45 H new ATOM 0 HE3 MET A 17 14.188 -1.304 -9.211 1.00 72.45 H new ATOM 287 N THR A 18 13.295 -1.942 -2.495 1.00 5.24 N ATOM 288 CA THR A 18 12.251 -1.884 -1.454 1.00 33.33 C ATOM 289 C THR A 18 11.955 -0.462 -0.939 1.00 33.34 C ATOM 290 O THR A 18 10.824 -0.007 -1.045 1.00 61.53 O ATOM 291 CB THR A 18 12.610 -2.812 -0.246 1.00 53.53 C ATOM 292 OG1 THR A 18 13.036 -4.099 -0.728 1.00 71.14 O ATOM 293 CG2 THR A 18 11.409 -3.005 0.707 1.00 42.30 C ATOM 0 H THR A 18 14.039 -2.605 -2.275 1.00 5.24 H new ATOM 0 HA THR A 18 11.343 -2.238 -1.942 1.00 33.33 H new ATOM 0 HB THR A 18 13.414 -2.329 0.309 1.00 53.53 H new ATOM 0 HG1 THR A 18 13.261 -4.675 0.032 1.00 71.14 H new ATOM 0 HG21 THR A 18 11.700 -3.655 1.532 1.00 42.30 H new ATOM 0 HG22 THR A 18 11.097 -2.037 1.100 1.00 42.30 H new ATOM 0 HG23 THR A 18 10.581 -3.459 0.162 1.00 42.30 H new ATOM 301 N ASP A 19 12.984 0.240 -0.427 1.00 51.25 N ATOM 302 CA ASP A 19 12.808 1.557 0.227 1.00 5.44 C ATOM 303 C ASP A 19 12.328 2.631 -0.778 1.00 2.43 C ATOM 304 O ASP A 19 11.566 3.529 -0.410 1.00 13.35 O ATOM 305 CB ASP A 19 14.124 1.988 0.934 1.00 52.31 C ATOM 306 CG ASP A 19 13.977 3.303 1.727 1.00 0.55 C ATOM 307 OD1 ASP A 19 13.280 3.303 2.766 1.00 45.24 O ATOM 308 OD2 ASP A 19 14.569 4.335 1.325 1.00 42.14 O ATOM 0 H ASP A 19 13.951 -0.082 -0.453 1.00 51.25 H new ATOM 0 HA ASP A 19 12.029 1.459 0.984 1.00 5.44 H new ATOM 0 HB2 ASP A 19 14.443 1.195 1.611 1.00 52.31 H new ATOM 0 HB3 ASP A 19 14.910 2.106 0.188 1.00 52.31 H new ATOM 313 N GLU A 20 12.747 2.492 -2.051 1.00 13.43 N ATOM 314 CA GLU A 20 12.316 3.388 -3.146 1.00 62.55 C ATOM 315 C GLU A 20 10.852 3.112 -3.532 1.00 34.14 C ATOM 316 O GLU A 20 10.058 4.046 -3.682 1.00 43.21 O ATOM 317 CB GLU A 20 13.238 3.208 -4.377 1.00 73.43 C ATOM 318 CG GLU A 20 14.708 3.577 -4.122 1.00 51.14 C ATOM 319 CD GLU A 20 14.895 5.044 -3.693 1.00 70.42 C ATOM 320 OE1 GLU A 20 15.116 5.311 -2.491 1.00 14.14 O ATOM 321 OE2 GLU A 20 14.822 5.942 -4.563 1.00 44.11 O ATOM 0 H GLU A 20 13.391 1.759 -2.350 1.00 13.43 H new ATOM 0 HA GLU A 20 12.390 4.418 -2.797 1.00 62.55 H new ATOM 0 HB2 GLU A 20 13.187 2.170 -4.706 1.00 73.43 H new ATOM 0 HB3 GLU A 20 12.858 3.821 -5.194 1.00 73.43 H new ATOM 0 HG2 GLU A 20 15.112 2.924 -3.348 1.00 51.14 H new ATOM 0 HG3 GLU A 20 15.285 3.393 -5.028 1.00 51.14 H new ATOM 328 N LEU A 21 10.526 1.807 -3.660 1.00 73.22 N ATOM 329 CA LEU A 21 9.174 1.311 -3.960 1.00 62.52 C ATOM 330 C LEU A 21 8.178 1.860 -2.923 1.00 34.50 C ATOM 331 O LEU A 21 7.221 2.536 -3.277 1.00 60.24 O ATOM 332 CB LEU A 21 9.177 -0.248 -3.948 1.00 42.44 C ATOM 333 CG LEU A 21 7.789 -0.961 -4.115 1.00 33.34 C ATOM 334 CD1 LEU A 21 7.157 -0.673 -5.493 1.00 11.41 C ATOM 335 CD2 LEU A 21 7.909 -2.479 -3.851 1.00 12.22 C ATOM 0 H LEU A 21 11.211 1.059 -3.555 1.00 73.22 H new ATOM 0 HA LEU A 21 8.868 1.653 -4.949 1.00 62.52 H new ATOM 0 HB2 LEU A 21 9.834 -0.592 -4.747 1.00 42.44 H new ATOM 0 HB3 LEU A 21 9.618 -0.579 -3.008 1.00 42.44 H new ATOM 0 HG LEU A 21 7.116 -0.545 -3.365 1.00 33.34 H new ATOM 0 HD11 LEU A 21 6.198 -1.185 -5.567 1.00 11.41 H new ATOM 0 HD12 LEU A 21 7.005 0.400 -5.606 1.00 11.41 H new ATOM 0 HD13 LEU A 21 7.821 -1.031 -6.280 1.00 11.41 H new ATOM 0 HD21 LEU A 21 6.933 -2.948 -3.974 1.00 12.22 H new ATOM 0 HD22 LEU A 21 8.613 -2.917 -4.558 1.00 12.22 H new ATOM 0 HD23 LEU A 21 8.266 -2.644 -2.834 1.00 12.22 H new ATOM 347 N LEU A 22 8.491 1.622 -1.638 1.00 4.14 N ATOM 348 CA LEU A 22 7.633 2.007 -0.507 1.00 0.34 C ATOM 349 C LEU A 22 7.508 3.532 -0.390 1.00 65.40 C ATOM 350 O LEU A 22 6.453 4.023 -0.008 1.00 62.03 O ATOM 351 CB LEU A 22 8.179 1.432 0.818 1.00 64.41 C ATOM 352 CG LEU A 22 8.359 -0.113 0.887 1.00 3.44 C ATOM 353 CD1 LEU A 22 8.851 -0.535 2.282 1.00 63.44 C ATOM 354 CD2 LEU A 22 7.073 -0.870 0.476 1.00 33.22 C ATOM 0 H LEU A 22 9.352 1.154 -1.354 1.00 4.14 H new ATOM 0 HA LEU A 22 6.644 1.591 -0.698 1.00 0.34 H new ATOM 0 HB2 LEU A 22 9.144 1.897 1.019 1.00 64.41 H new ATOM 0 HB3 LEU A 22 7.507 1.733 1.622 1.00 64.41 H new ATOM 0 HG LEU A 22 9.122 -0.392 0.160 1.00 3.44 H new ATOM 0 HD11 LEU A 22 8.972 -1.618 2.313 1.00 63.44 H new ATOM 0 HD12 LEU A 22 9.808 -0.057 2.490 1.00 63.44 H new ATOM 0 HD13 LEU A 22 8.122 -0.229 3.033 1.00 63.44 H new ATOM 0 HD21 LEU A 22 7.247 -1.944 0.540 1.00 33.22 H new ATOM 0 HD22 LEU A 22 6.259 -0.594 1.146 1.00 33.22 H new ATOM 0 HD23 LEU A 22 6.807 -0.606 -0.547 1.00 33.22 H new ATOM 366 N GLU A 23 8.594 4.264 -0.737 1.00 34.25 N ATOM 367 CA GLU A 23 8.612 5.741 -0.747 1.00 21.41 C ATOM 368 C GLU A 23 7.515 6.282 -1.677 1.00 75.41 C ATOM 369 O GLU A 23 6.783 7.190 -1.297 1.00 23.24 O ATOM 370 CB GLU A 23 9.998 6.267 -1.191 1.00 0.50 C ATOM 371 CG GLU A 23 10.100 7.804 -1.291 1.00 31.14 C ATOM 372 CD GLU A 23 11.400 8.285 -1.954 1.00 55.24 C ATOM 373 OE1 GLU A 23 12.269 8.848 -1.265 1.00 32.34 O ATOM 374 OE2 GLU A 23 11.542 8.115 -3.180 1.00 53.34 O ATOM 0 H GLU A 23 9.480 3.844 -1.017 1.00 34.25 H new ATOM 0 HA GLU A 23 8.418 6.093 0.266 1.00 21.41 H new ATOM 0 HB2 GLU A 23 10.750 5.911 -0.487 1.00 0.50 H new ATOM 0 HB3 GLU A 23 10.242 5.836 -2.162 1.00 0.50 H new ATOM 0 HG2 GLU A 23 9.250 8.181 -1.859 1.00 31.14 H new ATOM 0 HG3 GLU A 23 10.031 8.232 -0.291 1.00 31.14 H new ATOM 381 N ARG A 24 7.395 5.661 -2.870 1.00 72.51 N ATOM 382 CA ARG A 24 6.355 6.003 -3.867 1.00 3.32 C ATOM 383 C ARG A 24 4.943 5.792 -3.281 1.00 25.10 C ATOM 384 O ARG A 24 4.010 6.542 -3.585 1.00 5.21 O ATOM 385 CB ARG A 24 6.510 5.136 -5.148 1.00 51.04 C ATOM 386 CG ARG A 24 7.890 5.192 -5.848 1.00 15.05 C ATOM 387 CD ARG A 24 8.276 6.588 -6.384 1.00 2.41 C ATOM 388 NE ARG A 24 8.841 7.473 -5.343 1.00 20.11 N ATOM 389 CZ ARG A 24 8.517 8.767 -5.157 1.00 33.14 C ATOM 390 NH1 ARG A 24 7.610 9.364 -5.922 1.00 62.34 N ATOM 391 NH2 ARG A 24 9.132 9.463 -4.221 1.00 1.31 N ATOM 0 H ARG A 24 8.015 4.909 -3.170 1.00 72.51 H new ATOM 0 HA ARG A 24 6.483 7.054 -4.127 1.00 3.32 H new ATOM 0 HB2 ARG A 24 6.300 4.099 -4.887 1.00 51.04 H new ATOM 0 HB3 ARG A 24 5.749 5.445 -5.865 1.00 51.04 H new ATOM 0 HG2 ARG A 24 8.654 4.862 -5.145 1.00 15.05 H new ATOM 0 HG3 ARG A 24 7.893 4.484 -6.677 1.00 15.05 H new ATOM 0 HD2 ARG A 24 9.002 6.474 -7.189 1.00 2.41 H new ATOM 0 HD3 ARG A 24 7.394 7.062 -6.816 1.00 2.41 H new ATOM 0 HE ARG A 24 9.534 7.070 -4.713 1.00 20.11 H new ATOM 0 HH11 ARG A 24 7.146 8.842 -6.665 1.00 62.34 H new ATOM 0 HH12 ARG A 24 7.377 10.345 -5.766 1.00 62.34 H new ATOM 0 HH21 ARG A 24 9.848 9.021 -3.644 1.00 1.31 H new ATOM 0 HH22 ARG A 24 8.892 10.443 -4.074 1.00 1.31 H new ATOM 405 N LEU A 25 4.822 4.772 -2.413 1.00 61.12 N ATOM 406 CA LEU A 25 3.549 4.388 -1.787 1.00 25.44 C ATOM 407 C LEU A 25 3.251 5.309 -0.595 1.00 71.22 C ATOM 408 O LEU A 25 2.092 5.613 -0.344 1.00 13.53 O ATOM 409 CB LEU A 25 3.583 2.889 -1.355 1.00 74.40 C ATOM 410 CG LEU A 25 3.298 1.826 -2.479 1.00 51.42 C ATOM 411 CD1 LEU A 25 4.217 1.982 -3.701 1.00 13.15 C ATOM 412 CD2 LEU A 25 3.406 0.405 -1.909 1.00 41.42 C ATOM 0 H LEU A 25 5.609 4.190 -2.126 1.00 61.12 H new ATOM 0 HA LEU A 25 2.745 4.503 -2.514 1.00 25.44 H new ATOM 0 HB2 LEU A 25 4.564 2.679 -0.929 1.00 74.40 H new ATOM 0 HB3 LEU A 25 2.852 2.747 -0.559 1.00 74.40 H new ATOM 0 HG LEU A 25 2.281 2.004 -2.827 1.00 51.42 H new ATOM 0 HD11 LEU A 25 3.971 1.220 -4.441 1.00 13.15 H new ATOM 0 HD12 LEU A 25 4.077 2.971 -4.138 1.00 13.15 H new ATOM 0 HD13 LEU A 25 5.256 1.866 -3.392 1.00 13.15 H new ATOM 0 HD21 LEU A 25 3.206 -0.320 -2.698 1.00 41.42 H new ATOM 0 HD22 LEU A 25 4.410 0.246 -1.516 1.00 41.42 H new ATOM 0 HD23 LEU A 25 2.678 0.278 -1.107 1.00 41.42 H new ATOM 424 N ARG A 26 4.315 5.771 0.103 1.00 0.43 N ATOM 425 CA ARG A 26 4.199 6.663 1.268 1.00 40.51 C ATOM 426 C ARG A 26 3.630 8.005 0.827 1.00 23.23 C ATOM 427 O ARG A 26 2.688 8.495 1.431 1.00 30.52 O ATOM 428 CB ARG A 26 5.577 6.872 1.951 1.00 23.54 C ATOM 429 CG ARG A 26 5.499 7.578 3.329 1.00 31.22 C ATOM 430 CD ARG A 26 6.876 8.005 3.858 1.00 3.31 C ATOM 431 NE ARG A 26 7.490 9.043 3.004 1.00 63.14 N ATOM 432 CZ ARG A 26 8.699 8.971 2.419 1.00 15.12 C ATOM 433 NH1 ARG A 26 9.480 7.900 2.569 1.00 14.25 N ATOM 434 NH2 ARG A 26 9.129 9.989 1.697 1.00 52.41 N ATOM 0 H ARG A 26 5.278 5.532 -0.131 1.00 0.43 H new ATOM 0 HA ARG A 26 3.529 6.200 1.992 1.00 40.51 H new ATOM 0 HB2 ARG A 26 6.058 5.902 2.078 1.00 23.54 H new ATOM 0 HB3 ARG A 26 6.213 7.459 1.289 1.00 23.54 H new ATOM 0 HG2 ARG A 26 4.858 8.456 3.246 1.00 31.22 H new ATOM 0 HG3 ARG A 26 5.030 6.908 4.049 1.00 31.22 H new ATOM 0 HD2 ARG A 26 6.774 8.384 4.875 1.00 3.31 H new ATOM 0 HD3 ARG A 26 7.533 7.137 3.905 1.00 3.31 H new ATOM 0 HE ARG A 26 6.947 9.892 2.844 1.00 63.14 H new ATOM 0 HH11 ARG A 26 9.164 7.114 3.137 1.00 14.25 H new ATOM 0 HH12 ARG A 26 10.393 7.867 2.116 1.00 14.25 H new ATOM 0 HH21 ARG A 26 8.546 10.819 1.587 1.00 52.41 H new ATOM 0 HH22 ARG A 26 10.044 9.946 1.249 1.00 52.41 H new ATOM 448 N GLN A 27 4.205 8.547 -0.272 1.00 70.30 N ATOM 449 CA GLN A 27 3.740 9.793 -0.910 1.00 44.42 C ATOM 450 C GLN A 27 2.241 9.692 -1.254 1.00 11.33 C ATOM 451 O GLN A 27 1.480 10.642 -1.058 1.00 11.33 O ATOM 452 CB GLN A 27 4.543 10.083 -2.209 1.00 40.23 C ATOM 453 CG GLN A 27 6.078 10.172 -2.045 1.00 1.02 C ATOM 454 CD GLN A 27 6.558 11.306 -1.130 1.00 52.14 C ATOM 455 OE1 GLN A 27 5.936 12.360 -1.026 1.00 2.24 O ATOM 456 NE2 GLN A 27 7.691 11.112 -0.484 1.00 71.01 N ATOM 0 H GLN A 27 5.008 8.127 -0.740 1.00 70.30 H new ATOM 0 HA GLN A 27 3.899 10.608 -0.204 1.00 44.42 H new ATOM 0 HB2 GLN A 27 4.319 9.301 -2.935 1.00 40.23 H new ATOM 0 HB3 GLN A 27 4.187 11.022 -2.632 1.00 40.23 H new ATOM 0 HG2 GLN A 27 6.443 9.224 -1.649 1.00 1.02 H new ATOM 0 HG3 GLN A 27 6.528 10.302 -3.029 1.00 1.02 H new ATOM 0 HE21 GLN A 27 8.191 10.229 -0.585 1.00 71.01 H new ATOM 0 HE22 GLN A 27 8.067 11.845 0.117 1.00 71.01 H new ATOM 465 N LEU A 28 1.844 8.501 -1.749 1.00 74.33 N ATOM 466 CA LEU A 28 0.471 8.213 -2.174 1.00 42.34 C ATOM 467 C LEU A 28 -0.479 8.116 -0.966 1.00 5.30 C ATOM 468 O LEU A 28 -1.585 8.636 -1.016 1.00 55.32 O ATOM 469 CB LEU A 28 0.421 6.903 -2.994 1.00 23.13 C ATOM 470 CG LEU A 28 -0.970 6.533 -3.599 1.00 14.40 C ATOM 471 CD1 LEU A 28 -1.488 7.638 -4.548 1.00 3.35 C ATOM 472 CD2 LEU A 28 -0.915 5.168 -4.299 1.00 13.43 C ATOM 0 H LEU A 28 2.478 7.710 -1.863 1.00 74.33 H new ATOM 0 HA LEU A 28 0.139 9.039 -2.803 1.00 42.34 H new ATOM 0 HB2 LEU A 28 1.142 6.978 -3.808 1.00 23.13 H new ATOM 0 HB3 LEU A 28 0.748 6.083 -2.354 1.00 23.13 H new ATOM 0 HG LEU A 28 -1.682 6.458 -2.777 1.00 14.40 H new ATOM 0 HD11 LEU A 28 -2.458 7.347 -4.951 1.00 3.35 H new ATOM 0 HD12 LEU A 28 -1.590 8.573 -3.997 1.00 3.35 H new ATOM 0 HD13 LEU A 28 -0.782 7.775 -5.367 1.00 3.35 H new ATOM 0 HD21 LEU A 28 -1.895 4.931 -4.713 1.00 13.43 H new ATOM 0 HD22 LEU A 28 -0.180 5.201 -5.103 1.00 13.43 H new ATOM 0 HD23 LEU A 28 -0.630 4.401 -3.579 1.00 13.43 H new ATOM 484 N PHE A 29 -0.027 7.455 0.121 1.00 12.34 N ATOM 485 CA PHE A 29 -0.829 7.300 1.352 1.00 43.22 C ATOM 486 C PHE A 29 -1.033 8.667 2.030 1.00 41.44 C ATOM 487 O PHE A 29 -2.091 8.921 2.594 1.00 61.21 O ATOM 488 CB PHE A 29 -0.172 6.305 2.346 1.00 34.33 C ATOM 489 CG PHE A 29 -0.202 4.832 1.938 1.00 71.01 C ATOM 490 CD1 PHE A 29 -1.387 4.242 1.502 1.00 54.55 C ATOM 491 CD2 PHE A 29 0.947 4.032 1.997 1.00 64.21 C ATOM 492 CE1 PHE A 29 -1.423 2.914 1.137 1.00 35.51 C ATOM 493 CE2 PHE A 29 0.907 2.700 1.630 1.00 61.32 C ATOM 494 CZ PHE A 29 -0.277 2.142 1.199 1.00 13.34 C ATOM 0 H PHE A 29 0.894 7.019 0.170 1.00 12.34 H new ATOM 0 HA PHE A 29 -1.798 6.891 1.064 1.00 43.22 H new ATOM 0 HB2 PHE A 29 0.867 6.600 2.491 1.00 34.33 H new ATOM 0 HB3 PHE A 29 -0.669 6.404 3.311 1.00 34.33 H new ATOM 0 HD1 PHE A 29 -2.289 4.834 1.450 1.00 54.55 H new ATOM 0 HD2 PHE A 29 1.878 4.463 2.334 1.00 64.21 H new ATOM 0 HE1 PHE A 29 -2.350 2.474 0.801 1.00 35.51 H new ATOM 0 HE2 PHE A 29 1.802 2.098 1.681 1.00 61.32 H new ATOM 0 HZ PHE A 29 -0.310 1.102 0.910 1.00 13.34 H new ATOM 504 N GLU A 30 0.006 9.532 1.949 1.00 61.04 N ATOM 505 CA GLU A 30 -0.043 10.929 2.434 1.00 70.12 C ATOM 506 C GLU A 30 -1.047 11.743 1.600 1.00 60.10 C ATOM 507 O GLU A 30 -1.810 12.550 2.142 1.00 42.11 O ATOM 508 CB GLU A 30 1.368 11.582 2.368 1.00 21.31 C ATOM 509 CG GLU A 30 2.408 10.986 3.347 1.00 44.21 C ATOM 510 CD GLU A 30 3.823 11.563 3.141 1.00 3.21 C ATOM 511 OE1 GLU A 30 4.061 12.730 3.529 1.00 45.23 O ATOM 512 OE2 GLU A 30 4.705 10.868 2.581 1.00 24.13 O ATOM 0 H GLU A 30 0.906 9.277 1.543 1.00 61.04 H new ATOM 0 HA GLU A 30 -0.370 10.924 3.474 1.00 70.12 H new ATOM 0 HB2 GLU A 30 1.750 11.485 1.352 1.00 21.31 H new ATOM 0 HB3 GLU A 30 1.269 12.648 2.571 1.00 21.31 H new ATOM 0 HG2 GLU A 30 2.088 11.178 4.371 1.00 44.21 H new ATOM 0 HG3 GLU A 30 2.440 9.904 3.221 1.00 44.21 H new ATOM 519 N GLU A 31 -1.044 11.491 0.276 1.00 43.21 N ATOM 520 CA GLU A 31 -1.966 12.123 -0.685 1.00 24.13 C ATOM 521 C GLU A 31 -3.427 11.775 -0.336 1.00 62.14 C ATOM 522 O GLU A 31 -4.286 12.645 -0.289 1.00 23.41 O ATOM 523 CB GLU A 31 -1.623 11.661 -2.131 1.00 61.05 C ATOM 524 CG GLU A 31 -2.495 12.276 -3.253 1.00 21.53 C ATOM 525 CD GLU A 31 -2.332 13.804 -3.373 1.00 74.53 C ATOM 526 OE1 GLU A 31 -1.348 14.262 -3.987 1.00 73.41 O ATOM 527 OE2 GLU A 31 -3.182 14.555 -2.854 1.00 15.45 O ATOM 0 H GLU A 31 -0.394 10.836 -0.159 1.00 43.21 H new ATOM 0 HA GLU A 31 -1.850 13.205 -0.627 1.00 24.13 H new ATOM 0 HB2 GLU A 31 -0.579 11.902 -2.333 1.00 61.05 H new ATOM 0 HB3 GLU A 31 -1.714 10.576 -2.178 1.00 61.05 H new ATOM 0 HG2 GLU A 31 -2.233 11.812 -4.204 1.00 21.53 H new ATOM 0 HG3 GLU A 31 -3.542 12.042 -3.061 1.00 21.53 H new ATOM 534 N LEU A 32 -3.672 10.492 -0.044 1.00 50.20 N ATOM 535 CA LEU A 32 -5.024 9.973 0.238 1.00 60.11 C ATOM 536 C LEU A 32 -5.457 10.282 1.690 1.00 5.23 C ATOM 537 O LEU A 32 -6.658 10.398 1.980 1.00 62.51 O ATOM 538 CB LEU A 32 -5.040 8.454 -0.065 1.00 5.13 C ATOM 539 CG LEU A 32 -4.644 8.080 -1.533 1.00 55.50 C ATOM 540 CD1 LEU A 32 -4.469 6.558 -1.717 1.00 54.24 C ATOM 541 CD2 LEU A 32 -5.645 8.677 -2.549 1.00 21.32 C ATOM 0 H LEU A 32 -2.942 9.781 0.004 1.00 50.20 H new ATOM 0 HA LEU A 32 -5.751 10.471 -0.403 1.00 60.11 H new ATOM 0 HB2 LEU A 32 -4.357 7.952 0.621 1.00 5.13 H new ATOM 0 HB3 LEU A 32 -6.038 8.066 0.138 1.00 5.13 H new ATOM 0 HG LEU A 32 -3.670 8.527 -1.732 1.00 55.50 H new ATOM 0 HD11 LEU A 32 -4.195 6.346 -2.750 1.00 54.24 H new ATOM 0 HD12 LEU A 32 -3.684 6.199 -1.052 1.00 54.24 H new ATOM 0 HD13 LEU A 32 -5.405 6.053 -1.479 1.00 54.24 H new ATOM 0 HD21 LEU A 32 -5.345 8.401 -3.560 1.00 21.32 H new ATOM 0 HD22 LEU A 32 -6.643 8.288 -2.348 1.00 21.32 H new ATOM 0 HD23 LEU A 32 -5.653 9.763 -2.456 1.00 21.32 H new ATOM 553 N HIS A 33 -4.451 10.483 2.568 1.00 31.15 N ATOM 554 CA HIS A 33 -4.642 10.759 4.009 1.00 32.42 C ATOM 555 C HIS A 33 -5.517 12.007 4.238 1.00 61.34 C ATOM 556 O HIS A 33 -6.396 11.989 5.100 1.00 33.35 O ATOM 557 CB HIS A 33 -3.259 10.931 4.698 1.00 2.43 C ATOM 558 CG HIS A 33 -3.306 11.181 6.180 1.00 14.12 C ATOM 559 ND1 HIS A 33 -2.632 12.213 6.798 1.00 51.53 N ATOM 560 CD2 HIS A 33 -3.913 10.498 7.172 1.00 3.01 C ATOM 561 CE1 HIS A 33 -2.825 12.145 8.096 1.00 2.22 C ATOM 562 NE2 HIS A 33 -3.598 11.115 8.349 1.00 34.43 N ATOM 0 H HIS A 33 -3.469 10.458 2.292 1.00 31.15 H new ATOM 0 HA HIS A 33 -5.164 9.910 4.451 1.00 32.42 H new ATOM 0 HB2 HIS A 33 -2.667 10.034 4.516 1.00 2.43 H new ATOM 0 HB3 HIS A 33 -2.735 11.760 4.223 1.00 2.43 H new ATOM 0 HD1 HIS A 33 -2.071 12.919 6.322 1.00 51.53 H new ATOM 0 HD2 HIS A 33 -4.535 9.623 7.057 1.00 3.01 H new ATOM 0 HE1 HIS A 33 -2.416 12.823 8.831 1.00 2.22 H new ATOM 571 N GLU A 34 -5.297 13.057 3.418 1.00 54.31 N ATOM 572 CA GLU A 34 -5.994 14.354 3.583 1.00 55.44 C ATOM 573 C GLU A 34 -7.518 14.247 3.322 1.00 73.34 C ATOM 574 O GLU A 34 -8.288 15.077 3.819 1.00 74.25 O ATOM 575 CB GLU A 34 -5.372 15.459 2.681 1.00 64.15 C ATOM 576 CG GLU A 34 -5.421 15.158 1.174 1.00 31.21 C ATOM 577 CD GLU A 34 -5.039 16.359 0.289 1.00 14.11 C ATOM 578 OE1 GLU A 34 -5.938 16.984 -0.310 1.00 70.04 O ATOM 579 OE2 GLU A 34 -3.842 16.693 0.198 1.00 61.54 O ATOM 0 H GLU A 34 -4.643 13.033 2.635 1.00 54.31 H new ATOM 0 HA GLU A 34 -5.857 14.638 4.626 1.00 55.44 H new ATOM 0 HB2 GLU A 34 -5.893 16.398 2.868 1.00 64.15 H new ATOM 0 HB3 GLU A 34 -4.333 15.607 2.975 1.00 64.15 H new ATOM 0 HG2 GLU A 34 -4.748 14.329 0.956 1.00 31.21 H new ATOM 0 HG3 GLU A 34 -6.426 14.830 0.911 1.00 31.21 H new ATOM 586 N ARG A 35 -7.961 13.225 2.549 1.00 45.13 N ATOM 587 CA ARG A 35 -9.413 12.993 2.324 1.00 1.24 C ATOM 588 C ARG A 35 -9.927 11.852 3.215 1.00 5.24 C ATOM 589 O ARG A 35 -11.137 11.732 3.424 1.00 1.53 O ATOM 590 CB ARG A 35 -9.772 12.758 0.822 1.00 44.35 C ATOM 591 CG ARG A 35 -8.919 11.713 0.051 1.00 61.31 C ATOM 592 CD ARG A 35 -7.679 12.326 -0.632 1.00 11.32 C ATOM 593 NE ARG A 35 -8.044 13.333 -1.641 1.00 30.12 N ATOM 594 CZ ARG A 35 -7.180 14.110 -2.316 1.00 22.15 C ATOM 595 NH1 ARG A 35 -5.875 14.025 -2.110 1.00 51.42 N ATOM 596 NH2 ARG A 35 -7.639 14.971 -3.208 1.00 54.45 N ATOM 0 H ARG A 35 -7.349 12.559 2.078 1.00 45.13 H new ATOM 0 HA ARG A 35 -9.926 13.911 2.611 1.00 1.24 H new ATOM 0 HB2 ARG A 35 -10.816 12.451 0.767 1.00 44.35 H new ATOM 0 HB3 ARG A 35 -9.692 13.712 0.301 1.00 44.35 H new ATOM 0 HG2 ARG A 35 -8.597 10.935 0.743 1.00 61.31 H new ATOM 0 HG3 ARG A 35 -9.541 11.232 -0.704 1.00 61.31 H new ATOM 0 HD2 ARG A 35 -7.040 12.785 0.122 1.00 11.32 H new ATOM 0 HD3 ARG A 35 -7.097 11.534 -1.104 1.00 11.32 H new ATOM 0 HE ARG A 35 -9.036 13.451 -1.845 1.00 30.12 H new ATOM 0 HH11 ARG A 35 -5.508 13.361 -1.428 1.00 51.42 H new ATOM 0 HH12 ARG A 35 -5.236 14.624 -2.633 1.00 51.42 H new ATOM 0 HH21 ARG A 35 -8.642 15.042 -3.379 1.00 54.45 H new ATOM 0 HH22 ARG A 35 -6.990 15.565 -3.725 1.00 54.45 H new ATOM 610 N GLY A 36 -8.987 11.035 3.741 1.00 2.12 N ATOM 611 CA GLY A 36 -9.291 9.980 4.718 1.00 12.25 C ATOM 612 C GLY A 36 -10.260 8.917 4.211 1.00 2.30 C ATOM 613 O GLY A 36 -11.047 8.370 4.986 1.00 4.42 O ATOM 0 H GLY A 36 -7.998 11.093 3.496 1.00 2.12 H new ATOM 0 HA2 GLY A 36 -8.360 9.496 5.014 1.00 12.25 H new ATOM 0 HA3 GLY A 36 -9.710 10.440 5.613 1.00 12.25 H new ATOM 617 N THR A 37 -10.219 8.661 2.893 1.00 0.24 N ATOM 618 CA THR A 37 -11.046 7.630 2.242 1.00 30.24 C ATOM 619 C THR A 37 -10.397 6.247 2.438 1.00 62.41 C ATOM 620 O THR A 37 -9.164 6.148 2.555 1.00 43.00 O ATOM 621 CB THR A 37 -11.259 7.946 0.716 1.00 5.22 C ATOM 622 OG1 THR A 37 -12.058 6.925 0.090 1.00 12.33 O ATOM 623 CG2 THR A 37 -9.927 8.101 -0.043 1.00 65.13 C ATOM 0 H THR A 37 -9.610 9.164 2.247 1.00 0.24 H new ATOM 0 HA THR A 37 -12.031 7.627 2.708 1.00 30.24 H new ATOM 0 HB THR A 37 -11.783 8.900 0.666 1.00 5.22 H new ATOM 0 HG1 THR A 37 -12.180 7.141 -0.858 1.00 12.33 H new ATOM 0 HG21 THR A 37 -10.129 8.318 -1.092 1.00 65.13 H new ATOM 0 HG22 THR A 37 -9.353 8.919 0.393 1.00 65.13 H new ATOM 0 HG23 THR A 37 -9.356 7.176 0.032 1.00 65.13 H new ATOM 631 N GLU A 38 -11.236 5.196 2.491 1.00 43.02 N ATOM 632 CA GLU A 38 -10.784 3.832 2.788 1.00 55.52 C ATOM 633 C GLU A 38 -9.921 3.253 1.641 1.00 1.44 C ATOM 634 O GLU A 38 -10.373 3.110 0.495 1.00 12.05 O ATOM 635 CB GLU A 38 -11.985 2.917 3.181 1.00 73.41 C ATOM 636 CG GLU A 38 -13.198 2.951 2.230 1.00 51.10 C ATOM 637 CD GLU A 38 -14.440 2.283 2.848 1.00 13.32 C ATOM 638 OE1 GLU A 38 -14.673 1.077 2.603 1.00 33.53 O ATOM 639 OE2 GLU A 38 -15.163 2.955 3.626 1.00 11.32 O ATOM 0 H GLU A 38 -12.240 5.272 2.329 1.00 43.02 H new ATOM 0 HA GLU A 38 -10.129 3.871 3.658 1.00 55.52 H new ATOM 0 HB2 GLU A 38 -11.628 1.889 3.246 1.00 73.41 H new ATOM 0 HB3 GLU A 38 -12.322 3.201 4.178 1.00 73.41 H new ATOM 0 HG2 GLU A 38 -13.431 3.986 1.978 1.00 51.10 H new ATOM 0 HG3 GLU A 38 -12.942 2.446 1.299 1.00 51.10 H new ATOM 646 N ILE A 39 -8.657 2.973 1.989 1.00 21.41 N ATOM 647 CA ILE A 39 -7.615 2.483 1.082 1.00 33.40 C ATOM 648 C ILE A 39 -7.500 0.950 1.196 1.00 61.10 C ATOM 649 O ILE A 39 -7.408 0.414 2.303 1.00 55.02 O ATOM 650 CB ILE A 39 -6.223 3.133 1.447 1.00 21.15 C ATOM 651 CG1 ILE A 39 -6.323 4.694 1.469 1.00 33.34 C ATOM 652 CG2 ILE A 39 -5.114 2.663 0.475 1.00 63.02 C ATOM 653 CD1 ILE A 39 -5.080 5.402 1.991 1.00 32.32 C ATOM 0 H ILE A 39 -8.322 3.087 2.946 1.00 21.41 H new ATOM 0 HA ILE A 39 -7.886 2.757 0.062 1.00 33.40 H new ATOM 0 HB ILE A 39 -5.952 2.798 2.448 1.00 21.15 H new ATOM 0 HG12 ILE A 39 -6.528 5.046 0.458 1.00 33.34 H new ATOM 0 HG13 ILE A 39 -7.175 4.982 2.085 1.00 33.34 H new ATOM 0 HG21 ILE A 39 -4.167 3.127 0.751 1.00 63.02 H new ATOM 0 HG22 ILE A 39 -5.017 1.579 0.531 1.00 63.02 H new ATOM 0 HG23 ILE A 39 -5.376 2.952 -0.543 1.00 63.02 H new ATOM 0 HD11 ILE A 39 -5.240 6.480 1.970 1.00 32.32 H new ATOM 0 HD12 ILE A 39 -4.883 5.084 3.015 1.00 32.32 H new ATOM 0 HD13 ILE A 39 -4.226 5.149 1.362 1.00 32.32 H new ATOM 665 N VAL A 40 -7.509 0.256 0.049 1.00 51.24 N ATOM 666 CA VAL A 40 -7.291 -1.196 -0.021 1.00 32.10 C ATOM 667 C VAL A 40 -5.885 -1.453 -0.570 1.00 74.43 C ATOM 668 O VAL A 40 -5.612 -1.202 -1.745 1.00 41.00 O ATOM 669 CB VAL A 40 -8.345 -1.918 -0.934 1.00 62.41 C ATOM 670 CG1 VAL A 40 -8.171 -3.458 -0.882 1.00 32.34 C ATOM 671 CG2 VAL A 40 -9.781 -1.490 -0.567 1.00 53.43 C ATOM 0 H VAL A 40 -7.669 0.688 -0.861 1.00 51.24 H new ATOM 0 HA VAL A 40 -7.402 -1.602 0.985 1.00 32.10 H new ATOM 0 HB VAL A 40 -8.167 -1.609 -1.964 1.00 62.41 H new ATOM 0 HG11 VAL A 40 -8.915 -3.930 -1.524 1.00 32.34 H new ATOM 0 HG12 VAL A 40 -7.172 -3.723 -1.228 1.00 32.34 H new ATOM 0 HG13 VAL A 40 -8.304 -3.805 0.143 1.00 32.34 H new ATOM 0 HG21 VAL A 40 -10.491 -2.005 -1.215 1.00 53.43 H new ATOM 0 HG22 VAL A 40 -9.984 -1.749 0.472 1.00 53.43 H new ATOM 0 HG23 VAL A 40 -9.885 -0.413 -0.699 1.00 53.43 H new ATOM 681 N VAL A 41 -5.003 -1.941 0.295 1.00 0.34 N ATOM 682 CA VAL A 41 -3.638 -2.318 -0.067 1.00 42.24 C ATOM 683 C VAL A 41 -3.642 -3.808 -0.424 1.00 0.14 C ATOM 684 O VAL A 41 -3.843 -4.657 0.443 1.00 14.23 O ATOM 685 CB VAL A 41 -2.666 -2.042 1.134 1.00 4.12 C ATOM 686 CG1 VAL A 41 -1.223 -2.484 0.814 1.00 34.43 C ATOM 687 CG2 VAL A 41 -2.722 -0.553 1.538 1.00 14.44 C ATOM 0 H VAL A 41 -5.217 -2.089 1.281 1.00 0.34 H new ATOM 0 HA VAL A 41 -3.292 -1.731 -0.917 1.00 42.24 H new ATOM 0 HB VAL A 41 -3.000 -2.641 1.982 1.00 4.12 H new ATOM 0 HG11 VAL A 41 -0.581 -2.276 1.670 1.00 34.43 H new ATOM 0 HG12 VAL A 41 -1.209 -3.553 0.600 1.00 34.43 H new ATOM 0 HG13 VAL A 41 -0.859 -1.936 -0.055 1.00 34.43 H new ATOM 0 HG21 VAL A 41 -2.043 -0.377 2.372 1.00 14.44 H new ATOM 0 HG22 VAL A 41 -2.425 0.065 0.691 1.00 14.44 H new ATOM 0 HG23 VAL A 41 -3.738 -0.295 1.837 1.00 14.44 H new ATOM 697 N GLU A 42 -3.444 -4.109 -1.707 1.00 42.51 N ATOM 698 CA GLU A 42 -3.572 -5.470 -2.231 1.00 52.30 C ATOM 699 C GLU A 42 -2.221 -5.930 -2.808 1.00 22.33 C ATOM 700 O GLU A 42 -1.823 -5.520 -3.900 1.00 41.42 O ATOM 701 CB GLU A 42 -4.712 -5.466 -3.290 1.00 71.04 C ATOM 702 CG GLU A 42 -4.974 -6.808 -3.986 1.00 31.23 C ATOM 703 CD GLU A 42 -5.143 -7.988 -3.016 1.00 54.33 C ATOM 704 OE1 GLU A 42 -4.172 -8.756 -2.836 1.00 2.21 O ATOM 705 OE2 GLU A 42 -6.247 -8.159 -2.450 1.00 2.04 O ATOM 0 H GLU A 42 -3.191 -3.417 -2.413 1.00 42.51 H new ATOM 0 HA GLU A 42 -3.833 -6.181 -1.448 1.00 52.30 H new ATOM 0 HB2 GLU A 42 -5.633 -5.143 -2.805 1.00 71.04 H new ATOM 0 HB3 GLU A 42 -4.474 -4.723 -4.051 1.00 71.04 H new ATOM 0 HG2 GLU A 42 -5.873 -6.720 -4.597 1.00 31.23 H new ATOM 0 HG3 GLU A 42 -4.148 -7.022 -4.664 1.00 31.23 H new ATOM 712 N VAL A 43 -1.535 -6.807 -2.060 1.00 21.32 N ATOM 713 CA VAL A 43 -0.191 -7.297 -2.388 1.00 33.23 C ATOM 714 C VAL A 43 -0.304 -8.641 -3.147 1.00 43.20 C ATOM 715 O VAL A 43 -0.621 -9.682 -2.565 1.00 13.12 O ATOM 716 CB VAL A 43 0.685 -7.443 -1.075 1.00 23.43 C ATOM 717 CG1 VAL A 43 2.150 -7.804 -1.400 1.00 23.53 C ATOM 718 CG2 VAL A 43 0.612 -6.156 -0.217 1.00 5.34 C ATOM 0 H VAL A 43 -1.906 -7.201 -1.196 1.00 21.32 H new ATOM 0 HA VAL A 43 0.311 -6.576 -3.034 1.00 33.23 H new ATOM 0 HB VAL A 43 0.268 -8.267 -0.496 1.00 23.43 H new ATOM 0 HG11 VAL A 43 2.717 -7.895 -0.473 1.00 23.53 H new ATOM 0 HG12 VAL A 43 2.180 -8.751 -1.938 1.00 23.53 H new ATOM 0 HG13 VAL A 43 2.589 -7.021 -2.018 1.00 23.53 H new ATOM 0 HG21 VAL A 43 1.221 -6.281 0.678 1.00 5.34 H new ATOM 0 HG22 VAL A 43 0.986 -5.311 -0.796 1.00 5.34 H new ATOM 0 HG23 VAL A 43 -0.422 -5.969 0.071 1.00 5.34 H new ATOM 728 N HIS A 44 -0.108 -8.569 -4.473 1.00 13.40 N ATOM 729 CA HIS A 44 -0.101 -9.727 -5.386 1.00 22.12 C ATOM 730 C HIS A 44 1.347 -10.143 -5.686 1.00 71.14 C ATOM 731 O HIS A 44 2.082 -9.401 -6.343 1.00 22.02 O ATOM 732 CB HIS A 44 -0.815 -9.380 -6.727 1.00 15.21 C ATOM 733 CG HIS A 44 -2.300 -9.131 -6.650 1.00 12.14 C ATOM 734 ND1 HIS A 44 -2.991 -8.449 -7.628 1.00 43.13 N ATOM 735 CD2 HIS A 44 -3.227 -9.518 -5.752 1.00 72.52 C ATOM 736 CE1 HIS A 44 -4.271 -8.436 -7.337 1.00 34.05 C ATOM 737 NE2 HIS A 44 -4.441 -9.078 -6.203 1.00 14.11 N ATOM 0 H HIS A 44 0.054 -7.684 -4.953 1.00 13.40 H new ATOM 0 HA HIS A 44 -0.633 -10.545 -4.901 1.00 22.12 H new ATOM 0 HB2 HIS A 44 -0.341 -8.493 -7.147 1.00 15.21 H new ATOM 0 HB3 HIS A 44 -0.641 -10.196 -7.428 1.00 15.21 H new ATOM 0 HD1 HIS A 44 -2.572 -8.020 -8.453 1.00 43.13 H new ATOM 0 HD2 HIS A 44 -3.045 -10.073 -4.844 1.00 72.52 H new ATOM 0 HE1 HIS A 44 -5.050 -7.977 -7.928 1.00 34.05 H new ATOM 746 N ILE A 45 1.765 -11.320 -5.192 1.00 14.44 N ATOM 747 CA ILE A 45 3.116 -11.869 -5.447 1.00 33.35 C ATOM 748 C ILE A 45 2.994 -13.340 -5.878 1.00 52.24 C ATOM 749 O ILE A 45 2.426 -14.155 -5.133 1.00 44.42 O ATOM 750 CB ILE A 45 4.059 -11.778 -4.184 1.00 21.12 C ATOM 751 CG1 ILE A 45 4.095 -10.333 -3.598 1.00 31.22 C ATOM 752 CG2 ILE A 45 5.495 -12.270 -4.535 1.00 64.24 C ATOM 753 CD1 ILE A 45 4.905 -10.184 -2.319 1.00 14.15 C ATOM 0 H ILE A 45 1.182 -11.919 -4.607 1.00 14.44 H new ATOM 0 HA ILE A 45 3.566 -11.267 -6.236 1.00 33.35 H new ATOM 0 HB ILE A 45 3.648 -12.432 -3.415 1.00 21.12 H new ATOM 0 HG12 ILE A 45 4.505 -9.660 -4.352 1.00 31.22 H new ATOM 0 HG13 ILE A 45 3.073 -10.009 -3.404 1.00 31.22 H new ATOM 0 HG21 ILE A 45 6.130 -12.200 -3.652 1.00 64.24 H new ATOM 0 HG22 ILE A 45 5.453 -13.306 -4.870 1.00 64.24 H new ATOM 0 HG23 ILE A 45 5.908 -11.649 -5.329 1.00 64.24 H new ATOM 0 HD11 ILE A 45 4.872 -9.146 -1.987 1.00 14.15 H new ATOM 0 HD12 ILE A 45 4.485 -10.826 -1.545 1.00 14.15 H new ATOM 0 HD13 ILE A 45 5.939 -10.472 -2.508 1.00 14.15 H new ATOM 765 N ASN A 46 3.506 -13.657 -7.093 1.00 45.43 N ATOM 766 CA ASN A 46 3.608 -15.034 -7.636 1.00 12.03 C ATOM 767 C ASN A 46 2.244 -15.748 -7.721 1.00 23.05 C ATOM 768 O ASN A 46 2.147 -16.956 -7.483 1.00 30.10 O ATOM 769 CB ASN A 46 4.644 -15.865 -6.817 1.00 51.04 C ATOM 770 CG ASN A 46 6.057 -15.266 -6.786 1.00 11.12 C ATOM 771 OD1 ASN A 46 6.787 -15.431 -5.805 1.00 15.20 O ATOM 772 ND2 ASN A 46 6.476 -14.592 -7.862 1.00 72.42 N ATOM 0 H ASN A 46 3.866 -12.950 -7.734 1.00 45.43 H new ATOM 0 HA ASN A 46 3.964 -14.951 -8.663 1.00 12.03 H new ATOM 0 HB2 ASN A 46 4.283 -15.965 -5.793 1.00 51.04 H new ATOM 0 HB3 ASN A 46 4.698 -16.870 -7.236 1.00 51.04 H new ATOM 0 HD21 ASN A 46 7.418 -14.201 -7.884 1.00 72.42 H new ATOM 0 HD22 ASN A 46 5.854 -14.469 -8.661 1.00 72.42 H new ATOM 779 N GLY A 47 1.194 -14.981 -8.066 1.00 43.34 N ATOM 780 CA GLY A 47 -0.164 -15.521 -8.235 1.00 70.10 C ATOM 781 C GLY A 47 -0.980 -15.548 -6.945 1.00 4.35 C ATOM 782 O GLY A 47 -2.178 -15.852 -6.979 1.00 31.32 O ATOM 0 H GLY A 47 1.263 -13.977 -8.234 1.00 43.34 H new ATOM 0 HA2 GLY A 47 -0.693 -14.923 -8.977 1.00 70.10 H new ATOM 0 HA3 GLY A 47 -0.096 -16.534 -8.632 1.00 70.10 H new ATOM 786 N GLU A 48 -0.333 -15.242 -5.801 1.00 22.54 N ATOM 787 CA GLU A 48 -1.001 -15.152 -4.491 1.00 61.42 C ATOM 788 C GLU A 48 -1.493 -13.718 -4.234 1.00 15.15 C ATOM 789 O GLU A 48 -0.870 -12.749 -4.676 1.00 52.44 O ATOM 790 CB GLU A 48 -0.049 -15.595 -3.348 1.00 11.11 C ATOM 791 CG GLU A 48 0.248 -17.104 -3.302 1.00 53.31 C ATOM 792 CD GLU A 48 1.079 -17.506 -2.072 1.00 11.25 C ATOM 793 OE1 GLU A 48 2.275 -17.846 -2.217 1.00 1.32 O ATOM 794 OE2 GLU A 48 0.531 -17.470 -0.941 1.00 11.34 O ATOM 0 H GLU A 48 0.668 -15.051 -5.762 1.00 22.54 H new ATOM 0 HA GLU A 48 -1.858 -15.825 -4.507 1.00 61.42 H new ATOM 0 HB2 GLU A 48 0.893 -15.057 -3.450 1.00 11.11 H new ATOM 0 HB3 GLU A 48 -0.485 -15.296 -2.395 1.00 11.11 H new ATOM 0 HG2 GLU A 48 -0.692 -17.656 -3.297 1.00 53.31 H new ATOM 0 HG3 GLU A 48 0.782 -17.393 -4.207 1.00 53.31 H new ATOM 801 N ARG A 49 -2.614 -13.616 -3.507 1.00 63.11 N ATOM 802 CA ARG A 49 -3.239 -12.347 -3.087 1.00 35.10 C ATOM 803 C ARG A 49 -3.022 -12.124 -1.577 1.00 52.34 C ATOM 804 O ARG A 49 -3.007 -13.084 -0.803 1.00 62.24 O ATOM 805 CB ARG A 49 -4.773 -12.380 -3.452 1.00 43.53 C ATOM 806 CG ARG A 49 -5.715 -11.640 -2.469 1.00 23.40 C ATOM 807 CD ARG A 49 -7.172 -11.579 -2.948 1.00 32.32 C ATOM 808 NE ARG A 49 -8.062 -10.978 -1.932 1.00 42.42 N ATOM 809 CZ ARG A 49 -8.943 -11.663 -1.182 1.00 4.44 C ATOM 810 NH1 ARG A 49 -9.066 -12.983 -1.313 1.00 1.01 N ATOM 811 NH2 ARG A 49 -9.708 -11.024 -0.313 1.00 55.50 N ATOM 0 H ARG A 49 -3.128 -14.435 -3.184 1.00 63.11 H new ATOM 0 HA ARG A 49 -2.776 -11.512 -3.613 1.00 35.10 H new ATOM 0 HB2 ARG A 49 -4.901 -11.947 -4.444 1.00 43.53 H new ATOM 0 HB3 ARG A 49 -5.090 -13.421 -3.516 1.00 43.53 H new ATOM 0 HG2 ARG A 49 -5.680 -12.138 -1.500 1.00 23.40 H new ATOM 0 HG3 ARG A 49 -5.347 -10.625 -2.320 1.00 23.40 H new ATOM 0 HD2 ARG A 49 -7.227 -10.998 -3.868 1.00 32.32 H new ATOM 0 HD3 ARG A 49 -7.519 -12.585 -3.185 1.00 32.32 H new ATOM 0 HE ARG A 49 -8.003 -9.970 -1.790 1.00 42.42 H new ATOM 0 HH11 ARG A 49 -8.488 -13.485 -1.988 1.00 1.01 H new ATOM 0 HH12 ARG A 49 -9.738 -13.492 -0.739 1.00 1.01 H new ATOM 0 HH21 ARG A 49 -9.630 -10.012 -0.212 1.00 55.50 H new ATOM 0 HH22 ARG A 49 -10.377 -11.543 0.256 1.00 55.50 H new ATOM 825 N ASP A 50 -2.837 -10.857 -1.173 1.00 55.30 N ATOM 826 CA ASP A 50 -2.807 -10.448 0.240 1.00 33.42 C ATOM 827 C ASP A 50 -3.581 -9.129 0.384 1.00 31.51 C ATOM 828 O ASP A 50 -3.128 -8.085 -0.071 1.00 13.00 O ATOM 829 CB ASP A 50 -1.342 -10.274 0.691 1.00 51.41 C ATOM 830 CG ASP A 50 -1.203 -9.833 2.151 1.00 21.20 C ATOM 831 OD1 ASP A 50 -0.795 -8.681 2.409 1.00 23.24 O ATOM 832 OD2 ASP A 50 -1.484 -10.656 3.056 1.00 33.01 O ATOM 0 H ASP A 50 -2.703 -10.082 -1.823 1.00 55.30 H new ATOM 0 HA ASP A 50 -3.273 -11.207 0.869 1.00 33.42 H new ATOM 0 HB2 ASP A 50 -0.813 -11.217 0.552 1.00 51.41 H new ATOM 0 HB3 ASP A 50 -0.857 -9.538 0.049 1.00 51.41 H new ATOM 837 N GLU A 51 -4.736 -9.178 1.039 1.00 1.44 N ATOM 838 CA GLU A 51 -5.647 -8.024 1.160 1.00 51.02 C ATOM 839 C GLU A 51 -5.511 -7.396 2.555 1.00 34.11 C ATOM 840 O GLU A 51 -5.670 -8.086 3.565 1.00 44.44 O ATOM 841 CB GLU A 51 -7.115 -8.462 0.897 1.00 10.32 C ATOM 842 CG GLU A 51 -8.135 -7.300 0.911 1.00 11.54 C ATOM 843 CD GLU A 51 -9.588 -7.768 0.753 1.00 0.52 C ATOM 844 OE1 GLU A 51 -10.304 -7.890 1.770 1.00 30.54 O ATOM 845 OE2 GLU A 51 -10.016 -8.047 -0.390 1.00 54.42 O ATOM 0 H GLU A 51 -5.076 -10.018 1.506 1.00 1.44 H new ATOM 0 HA GLU A 51 -5.376 -7.279 0.412 1.00 51.02 H new ATOM 0 HB2 GLU A 51 -7.165 -8.963 -0.070 1.00 10.32 H new ATOM 0 HB3 GLU A 51 -7.405 -9.194 1.651 1.00 10.32 H new ATOM 0 HG2 GLU A 51 -8.037 -6.751 1.847 1.00 11.54 H new ATOM 0 HG3 GLU A 51 -7.895 -6.605 0.107 1.00 11.54 H new ATOM 852 N ILE A 52 -5.177 -6.100 2.602 1.00 10.52 N ATOM 853 CA ILE A 52 -5.089 -5.312 3.844 1.00 22.43 C ATOM 854 C ILE A 52 -5.857 -3.999 3.624 1.00 43.11 C ATOM 855 O ILE A 52 -5.397 -3.135 2.879 1.00 25.31 O ATOM 856 CB ILE A 52 -3.582 -4.994 4.219 1.00 54.31 C ATOM 857 CG1 ILE A 52 -2.735 -6.307 4.293 1.00 2.44 C ATOM 858 CG2 ILE A 52 -3.497 -4.204 5.554 1.00 63.12 C ATOM 859 CD1 ILE A 52 -1.245 -6.090 4.466 1.00 63.54 C ATOM 0 H ILE A 52 -4.956 -5.558 1.766 1.00 10.52 H new ATOM 0 HA ILE A 52 -5.519 -5.883 4.667 1.00 22.43 H new ATOM 0 HB ILE A 52 -3.165 -4.368 3.430 1.00 54.31 H new ATOM 0 HG12 ILE A 52 -3.099 -6.912 5.123 1.00 2.44 H new ATOM 0 HG13 ILE A 52 -2.901 -6.882 3.382 1.00 2.44 H new ATOM 0 HG21 ILE A 52 -2.453 -3.998 5.789 1.00 63.12 H new ATOM 0 HG22 ILE A 52 -4.039 -3.263 5.455 1.00 63.12 H new ATOM 0 HG23 ILE A 52 -3.940 -4.795 6.356 1.00 63.12 H new ATOM 0 HD11 ILE A 52 -0.739 -7.055 4.507 1.00 63.54 H new ATOM 0 HD12 ILE A 52 -0.861 -5.515 3.624 1.00 63.54 H new ATOM 0 HD13 ILE A 52 -1.062 -5.545 5.392 1.00 63.54 H new ATOM 871 N ARG A 53 -7.038 -3.854 4.247 1.00 50.51 N ATOM 872 CA ARG A 53 -7.870 -2.640 4.111 1.00 34.55 C ATOM 873 C ARG A 53 -7.714 -1.761 5.365 1.00 11.01 C ATOM 874 O ARG A 53 -7.620 -2.274 6.486 1.00 23.21 O ATOM 875 CB ARG A 53 -9.371 -2.994 3.904 1.00 21.42 C ATOM 876 CG ARG A 53 -9.661 -4.009 2.773 1.00 0.14 C ATOM 877 CD ARG A 53 -11.174 -4.159 2.484 1.00 22.31 C ATOM 878 NE ARG A 53 -11.723 -2.994 1.752 1.00 24.11 N ATOM 879 CZ ARG A 53 -12.560 -2.063 2.247 1.00 34.33 C ATOM 880 NH1 ARG A 53 -12.992 -2.120 3.504 1.00 1.42 N ATOM 881 NH2 ARG A 53 -12.958 -1.065 1.466 1.00 13.33 N ATOM 0 H ARG A 53 -7.443 -4.566 4.855 1.00 50.51 H new ATOM 0 HA ARG A 53 -7.528 -2.096 3.230 1.00 34.55 H new ATOM 0 HB2 ARG A 53 -9.765 -3.394 4.838 1.00 21.42 H new ATOM 0 HB3 ARG A 53 -9.918 -2.075 3.694 1.00 21.42 H new ATOM 0 HG2 ARG A 53 -9.151 -3.691 1.864 1.00 0.14 H new ATOM 0 HG3 ARG A 53 -9.249 -4.980 3.046 1.00 0.14 H new ATOM 0 HD2 ARG A 53 -11.343 -5.064 1.901 1.00 22.31 H new ATOM 0 HD3 ARG A 53 -11.711 -4.281 3.425 1.00 22.31 H new ATOM 0 HE ARG A 53 -11.439 -2.887 0.778 1.00 24.11 H new ATOM 0 HH11 ARG A 53 -12.689 -2.880 4.113 1.00 1.42 H new ATOM 0 HH12 ARG A 53 -13.626 -1.404 3.858 1.00 1.42 H new ATOM 0 HH21 ARG A 53 -12.630 -1.010 0.502 1.00 13.33 H new ATOM 0 HH22 ARG A 53 -13.592 -0.354 1.830 1.00 13.33 H new ATOM 895 N VAL A 54 -7.694 -0.444 5.151 1.00 3.21 N ATOM 896 CA VAL A 54 -7.664 0.590 6.210 1.00 45.04 C ATOM 897 C VAL A 54 -8.576 1.744 5.786 1.00 13.25 C ATOM 898 O VAL A 54 -8.785 1.951 4.588 1.00 23.23 O ATOM 899 CB VAL A 54 -6.204 1.124 6.474 1.00 43.14 C ATOM 900 CG1 VAL A 54 -5.382 0.118 7.314 1.00 54.34 C ATOM 901 CG2 VAL A 54 -5.494 1.448 5.132 1.00 5.02 C ATOM 0 H VAL A 54 -7.698 -0.047 4.212 1.00 3.21 H new ATOM 0 HA VAL A 54 -8.014 0.145 7.141 1.00 45.04 H new ATOM 0 HB VAL A 54 -6.278 2.046 7.051 1.00 43.14 H new ATOM 0 HG11 VAL A 54 -4.380 0.515 7.479 1.00 54.34 H new ATOM 0 HG12 VAL A 54 -5.872 -0.040 8.274 1.00 54.34 H new ATOM 0 HG13 VAL A 54 -5.313 -0.830 6.781 1.00 54.34 H new ATOM 0 HG21 VAL A 54 -4.488 1.815 5.332 1.00 5.02 H new ATOM 0 HG22 VAL A 54 -5.436 0.545 4.524 1.00 5.02 H new ATOM 0 HG23 VAL A 54 -6.059 2.211 4.596 1.00 5.02 H new ATOM 911 N ARG A 55 -9.149 2.469 6.759 1.00 3.21 N ATOM 912 CA ARG A 55 -10.044 3.608 6.478 1.00 21.34 C ATOM 913 C ARG A 55 -9.324 4.942 6.769 1.00 65.11 C ATOM 914 O ARG A 55 -9.044 5.722 5.852 1.00 14.22 O ATOM 915 CB ARG A 55 -11.371 3.470 7.273 1.00 54.04 C ATOM 916 CG ARG A 55 -12.075 2.096 7.082 1.00 11.30 C ATOM 917 CD ARG A 55 -13.545 2.111 7.528 1.00 12.23 C ATOM 918 NE ARG A 55 -14.370 2.951 6.636 1.00 33.04 N ATOM 919 CZ ARG A 55 -15.357 3.775 7.026 1.00 41.15 C ATOM 920 NH1 ARG A 55 -15.684 3.896 8.317 1.00 20.43 N ATOM 921 NH2 ARG A 55 -16.009 4.470 6.107 1.00 63.30 N ATOM 0 H ARG A 55 -9.009 2.287 7.753 1.00 3.21 H new ATOM 0 HA ARG A 55 -10.304 3.604 5.419 1.00 21.34 H new ATOM 0 HB2 ARG A 55 -11.166 3.619 8.333 1.00 54.04 H new ATOM 0 HB3 ARG A 55 -12.052 4.263 6.966 1.00 54.04 H new ATOM 0 HG2 ARG A 55 -12.022 1.809 6.032 1.00 11.30 H new ATOM 0 HG3 ARG A 55 -11.537 1.336 7.648 1.00 11.30 H new ATOM 0 HD2 ARG A 55 -13.935 1.093 7.535 1.00 12.23 H new ATOM 0 HD3 ARG A 55 -13.613 2.486 8.549 1.00 12.23 H new ATOM 0 HE ARG A 55 -14.173 2.901 5.636 1.00 33.04 H new ATOM 0 HH11 ARG A 55 -15.181 3.358 9.023 1.00 20.43 H new ATOM 0 HH12 ARG A 55 -16.436 4.526 8.596 1.00 20.43 H new ATOM 0 HH21 ARG A 55 -15.759 4.375 5.123 1.00 63.30 H new ATOM 0 HH22 ARG A 55 -16.761 5.101 6.383 1.00 63.30 H new ATOM 935 N ASN A 56 -9.035 5.200 8.059 1.00 42.14 N ATOM 936 CA ASN A 56 -8.292 6.398 8.513 1.00 31.13 C ATOM 937 C ASN A 56 -6.977 5.963 9.178 1.00 30.31 C ATOM 938 O ASN A 56 -6.972 5.481 10.315 1.00 74.24 O ATOM 939 CB ASN A 56 -9.154 7.265 9.498 1.00 74.54 C ATOM 940 CG ASN A 56 -10.186 8.193 8.823 1.00 54.01 C ATOM 941 OD1 ASN A 56 -10.491 9.275 9.340 1.00 32.44 O ATOM 942 ND2 ASN A 56 -10.738 7.798 7.688 1.00 32.42 N ATOM 0 H ASN A 56 -9.311 4.582 8.822 1.00 42.14 H new ATOM 0 HA ASN A 56 -8.068 7.019 7.646 1.00 31.13 H new ATOM 0 HB2 ASN A 56 -9.681 6.597 10.179 1.00 74.54 H new ATOM 0 HB3 ASN A 56 -8.483 7.874 10.104 1.00 74.54 H new ATOM 0 HD21 ASN A 56 -11.428 8.389 7.224 1.00 32.42 H new ATOM 0 HD22 ASN A 56 -10.474 6.903 7.277 1.00 32.42 H new ATOM 949 N ILE A 57 -5.866 6.125 8.442 1.00 40.22 N ATOM 950 CA ILE A 57 -4.503 5.803 8.920 1.00 43.11 C ATOM 951 C ILE A 57 -3.640 7.077 8.960 1.00 41.40 C ATOM 952 O ILE A 57 -3.411 7.700 7.930 1.00 71.33 O ATOM 953 CB ILE A 57 -3.812 4.644 8.059 1.00 55.13 C ATOM 954 CG1 ILE A 57 -4.346 4.556 6.577 1.00 3.13 C ATOM 955 CG2 ILE A 57 -3.981 3.278 8.768 1.00 62.22 C ATOM 956 CD1 ILE A 57 -4.020 5.718 5.649 1.00 64.23 C ATOM 0 H ILE A 57 -5.884 6.486 7.488 1.00 40.22 H new ATOM 0 HA ILE A 57 -4.590 5.413 9.934 1.00 43.11 H new ATOM 0 HB ILE A 57 -2.755 4.901 7.991 1.00 55.13 H new ATOM 0 HG12 ILE A 57 -3.950 3.645 6.129 1.00 3.13 H new ATOM 0 HG13 ILE A 57 -5.430 4.448 6.615 1.00 3.13 H new ATOM 0 HG21 ILE A 57 -3.507 2.498 8.173 1.00 62.22 H new ATOM 0 HG22 ILE A 57 -3.513 3.318 9.752 1.00 62.22 H new ATOM 0 HG23 ILE A 57 -5.042 3.055 8.880 1.00 62.22 H new ATOM 0 HD11 ILE A 57 -4.446 5.528 4.664 1.00 64.23 H new ATOM 0 HD12 ILE A 57 -4.441 6.637 6.055 1.00 64.23 H new ATOM 0 HD13 ILE A 57 -2.938 5.822 5.562 1.00 64.23 H new ATOM 968 N SER A 58 -3.158 7.435 10.167 1.00 61.24 N ATOM 969 CA SER A 58 -2.412 8.696 10.423 1.00 10.22 C ATOM 970 C SER A 58 -1.042 8.735 9.683 1.00 4.43 C ATOM 971 O SER A 58 -0.662 7.759 9.050 1.00 52.13 O ATOM 972 CB SER A 58 -2.232 8.864 11.941 1.00 11.04 C ATOM 973 OG SER A 58 -3.468 8.787 12.625 1.00 30.22 O ATOM 0 H SER A 58 -3.273 6.858 11.000 1.00 61.24 H new ATOM 0 HA SER A 58 -2.991 9.530 10.026 1.00 10.22 H new ATOM 0 HB2 SER A 58 -1.560 8.092 12.316 1.00 11.04 H new ATOM 0 HB3 SER A 58 -1.761 9.825 12.148 1.00 11.04 H new ATOM 0 HG SER A 58 -3.317 8.896 13.587 1.00 30.22 H new ATOM 979 N LYS A 59 -0.298 9.861 9.804 1.00 54.13 N ATOM 980 CA LYS A 59 0.905 10.150 8.964 1.00 45.24 C ATOM 981 C LYS A 59 2.024 9.076 9.117 1.00 2.23 C ATOM 982 O LYS A 59 2.722 8.751 8.152 1.00 70.44 O ATOM 983 CB LYS A 59 1.426 11.607 9.242 1.00 30.43 C ATOM 984 CG LYS A 59 1.886 11.920 10.697 1.00 2.44 C ATOM 985 CD LYS A 59 3.361 11.548 10.974 1.00 72.51 C ATOM 986 CE LYS A 59 3.752 11.734 12.445 1.00 11.11 C ATOM 987 NZ LYS A 59 3.674 13.150 12.905 1.00 61.22 N ATOM 0 H LYS A 59 -0.508 10.595 10.481 1.00 54.13 H new ATOM 0 HA LYS A 59 0.599 10.095 7.919 1.00 45.24 H new ATOM 0 HB2 LYS A 59 2.262 11.803 8.571 1.00 30.43 H new ATOM 0 HB3 LYS A 59 0.634 12.308 8.977 1.00 30.43 H new ATOM 0 HG2 LYS A 59 1.745 12.983 10.893 1.00 2.44 H new ATOM 0 HG3 LYS A 59 1.247 11.380 11.395 1.00 2.44 H new ATOM 0 HD2 LYS A 59 3.530 10.510 10.686 1.00 72.51 H new ATOM 0 HD3 LYS A 59 4.010 12.162 10.349 1.00 72.51 H new ATOM 0 HE2 LYS A 59 3.099 11.121 13.067 1.00 11.11 H new ATOM 0 HE3 LYS A 59 4.768 11.368 12.592 1.00 11.11 H new ATOM 0 HZ1 LYS A 59 3.951 13.206 13.906 1.00 61.22 H new ATOM 0 HZ2 LYS A 59 4.317 13.736 12.335 1.00 61.22 H new ATOM 0 HZ3 LYS A 59 2.700 13.498 12.795 1.00 61.22 H new ATOM 1001 N GLU A 60 2.209 8.556 10.339 1.00 23.42 N ATOM 1002 CA GLU A 60 3.165 7.458 10.611 1.00 10.31 C ATOM 1003 C GLU A 60 2.480 6.090 10.455 1.00 3.33 C ATOM 1004 O GLU A 60 3.114 5.102 10.074 1.00 53.15 O ATOM 1005 CB GLU A 60 3.822 7.591 12.020 1.00 73.23 C ATOM 1006 CG GLU A 60 2.898 7.323 13.235 1.00 44.31 C ATOM 1007 CD GLU A 60 1.819 8.392 13.447 1.00 63.25 C ATOM 1008 OE1 GLU A 60 2.071 9.382 14.157 1.00 65.04 O ATOM 1009 OE2 GLU A 60 0.720 8.260 12.885 1.00 42.41 O ATOM 0 H GLU A 60 1.706 8.878 11.166 1.00 23.42 H new ATOM 0 HA GLU A 60 3.964 7.533 9.874 1.00 10.31 H new ATOM 0 HB2 GLU A 60 4.664 6.901 12.072 1.00 73.23 H new ATOM 0 HB3 GLU A 60 4.229 8.598 12.115 1.00 73.23 H new ATOM 0 HG2 GLU A 60 2.415 6.355 13.104 1.00 44.31 H new ATOM 0 HG3 GLU A 60 3.509 7.255 14.135 1.00 44.31 H new ATOM 1016 N GLU A 61 1.175 6.053 10.773 1.00 24.11 N ATOM 1017 CA GLU A 61 0.362 4.821 10.757 1.00 0.23 C ATOM 1018 C GLU A 61 0.161 4.289 9.319 1.00 2.52 C ATOM 1019 O GLU A 61 0.043 3.081 9.108 1.00 51.31 O ATOM 1020 CB GLU A 61 -0.990 5.104 11.457 1.00 35.21 C ATOM 1021 CG GLU A 61 -1.841 3.857 11.780 1.00 12.11 C ATOM 1022 CD GLU A 61 -1.147 2.863 12.731 1.00 62.45 C ATOM 1023 OE1 GLU A 61 -0.779 3.265 13.857 1.00 25.32 O ATOM 1024 OE2 GLU A 61 -0.984 1.678 12.366 1.00 1.14 O ATOM 0 H GLU A 61 0.649 6.882 11.051 1.00 24.11 H new ATOM 0 HA GLU A 61 0.889 4.037 11.301 1.00 0.23 H new ATOM 0 HB2 GLU A 61 -0.794 5.640 12.386 1.00 35.21 H new ATOM 0 HB3 GLU A 61 -1.576 5.769 10.823 1.00 35.21 H new ATOM 0 HG2 GLU A 61 -2.783 4.176 12.227 1.00 12.11 H new ATOM 0 HG3 GLU A 61 -2.087 3.345 10.850 1.00 12.11 H new ATOM 1031 N LEU A 62 0.176 5.196 8.328 1.00 63.12 N ATOM 1032 CA LEU A 62 0.042 4.832 6.910 1.00 54.03 C ATOM 1033 C LEU A 62 1.308 4.114 6.415 1.00 13.14 C ATOM 1034 O LEU A 62 1.254 3.290 5.498 1.00 2.23 O ATOM 1035 CB LEU A 62 -0.316 6.084 6.046 1.00 75.03 C ATOM 1036 CG LEU A 62 0.676 7.314 6.038 1.00 4.14 C ATOM 1037 CD1 LEU A 62 1.918 7.089 5.140 1.00 13.43 C ATOM 1038 CD2 LEU A 62 -0.053 8.613 5.634 1.00 4.34 C ATOM 0 H LEU A 62 0.281 6.198 8.488 1.00 63.12 H new ATOM 0 HA LEU A 62 -0.785 4.130 6.802 1.00 54.03 H new ATOM 0 HB2 LEU A 62 -0.436 5.750 5.015 1.00 75.03 H new ATOM 0 HB3 LEU A 62 -1.289 6.447 6.378 1.00 75.03 H new ATOM 0 HG LEU A 62 1.041 7.414 7.060 1.00 4.14 H new ATOM 0 HD11 LEU A 62 2.559 7.970 5.178 1.00 13.43 H new ATOM 0 HD12 LEU A 62 2.472 6.221 5.497 1.00 13.43 H new ATOM 0 HD13 LEU A 62 1.598 6.918 4.112 1.00 13.43 H new ATOM 0 HD21 LEU A 62 0.654 9.443 5.637 1.00 4.34 H new ATOM 0 HD22 LEU A 62 -0.474 8.498 4.635 1.00 4.34 H new ATOM 0 HD23 LEU A 62 -0.854 8.816 6.344 1.00 4.34 H new ATOM 1050 N LYS A 63 2.447 4.431 7.068 1.00 61.33 N ATOM 1051 CA LYS A 63 3.739 3.796 6.783 1.00 64.51 C ATOM 1052 C LYS A 63 3.732 2.328 7.244 1.00 41.20 C ATOM 1053 O LYS A 63 4.538 1.530 6.774 1.00 42.25 O ATOM 1054 CB LYS A 63 4.912 4.568 7.435 1.00 72.03 C ATOM 1055 CG LYS A 63 4.996 6.066 7.056 1.00 63.43 C ATOM 1056 CD LYS A 63 6.274 6.751 7.606 1.00 72.04 C ATOM 1057 CE LYS A 63 6.435 6.602 9.132 1.00 61.35 C ATOM 1058 NZ LYS A 63 7.699 7.195 9.637 1.00 41.20 N ATOM 0 H LYS A 63 2.490 5.134 7.806 1.00 61.33 H new ATOM 0 HA LYS A 63 3.889 3.823 5.704 1.00 64.51 H new ATOM 0 HB2 LYS A 63 4.824 4.487 8.518 1.00 72.03 H new ATOM 0 HB3 LYS A 63 5.847 4.084 7.154 1.00 72.03 H new ATOM 0 HG2 LYS A 63 4.975 6.164 5.971 1.00 63.43 H new ATOM 0 HG3 LYS A 63 4.117 6.584 7.440 1.00 63.43 H new ATOM 0 HD2 LYS A 63 7.148 6.326 7.112 1.00 72.04 H new ATOM 0 HD3 LYS A 63 6.248 7.811 7.352 1.00 72.04 H new ATOM 0 HE2 LYS A 63 5.591 7.079 9.630 1.00 61.35 H new ATOM 0 HE3 LYS A 63 6.405 5.545 9.395 1.00 61.35 H new ATOM 0 HZ1 LYS A 63 7.755 7.067 10.668 1.00 41.20 H new ATOM 0 HZ2 LYS A 63 8.508 6.724 9.185 1.00 41.20 H new ATOM 0 HZ3 LYS A 63 7.720 8.210 9.413 1.00 41.20 H new ATOM 1072 N LYS A 64 2.810 1.984 8.166 1.00 10.30 N ATOM 1073 CA LYS A 64 2.632 0.608 8.647 1.00 13.44 C ATOM 1074 C LYS A 64 2.017 -0.273 7.541 1.00 31.34 C ATOM 1075 O LYS A 64 2.173 -1.491 7.560 1.00 33.33 O ATOM 1076 CB LYS A 64 1.751 0.605 9.927 1.00 4.21 C ATOM 1077 CG LYS A 64 2.273 1.532 11.055 1.00 45.32 C ATOM 1078 CD LYS A 64 3.639 1.102 11.635 1.00 22.14 C ATOM 1079 CE LYS A 64 3.548 -0.204 12.434 1.00 30.32 C ATOM 1080 NZ LYS A 64 4.874 -0.652 12.929 1.00 74.23 N ATOM 0 H LYS A 64 2.171 2.654 8.594 1.00 10.30 H new ATOM 0 HA LYS A 64 3.605 0.189 8.902 1.00 13.44 H new ATOM 0 HB2 LYS A 64 0.739 0.910 9.660 1.00 4.21 H new ATOM 0 HB3 LYS A 64 1.687 -0.414 10.309 1.00 4.21 H new ATOM 0 HG2 LYS A 64 2.357 2.548 10.668 1.00 45.32 H new ATOM 0 HG3 LYS A 64 1.539 1.557 11.860 1.00 45.32 H new ATOM 0 HD2 LYS A 64 4.354 0.978 10.821 1.00 22.14 H new ATOM 0 HD3 LYS A 64 4.023 1.893 12.279 1.00 22.14 H new ATOM 0 HE2 LYS A 64 2.875 -0.064 13.280 1.00 30.32 H new ATOM 0 HE3 LYS A 64 3.114 -0.983 11.806 1.00 30.32 H new ATOM 0 HZ1 LYS A 64 4.809 -1.639 13.251 1.00 74.23 H new ATOM 0 HZ2 LYS A 64 5.572 -0.584 12.161 1.00 74.23 H new ATOM 0 HZ3 LYS A 64 5.171 -0.048 13.722 1.00 74.23 H new ATOM 1094 N LEU A 65 1.342 0.365 6.553 1.00 73.35 N ATOM 1095 CA LEU A 65 0.771 -0.337 5.379 1.00 71.43 C ATOM 1096 C LEU A 65 1.887 -0.837 4.462 1.00 33.32 C ATOM 1097 O LEU A 65 1.959 -2.027 4.151 1.00 0.32 O ATOM 1098 CB LEU A 65 -0.215 0.588 4.588 1.00 65.50 C ATOM 1099 CG LEU A 65 -1.656 0.716 5.171 1.00 65.30 C ATOM 1100 CD1 LEU A 65 -2.317 -0.676 5.321 1.00 44.11 C ATOM 1101 CD2 LEU A 65 -1.659 1.499 6.498 1.00 31.41 C ATOM 0 H LEU A 65 1.180 1.372 6.548 1.00 73.35 H new ATOM 0 HA LEU A 65 0.206 -1.195 5.743 1.00 71.43 H new ATOM 0 HB2 LEU A 65 0.222 1.585 4.531 1.00 65.50 H new ATOM 0 HB3 LEU A 65 -0.290 0.215 3.567 1.00 65.50 H new ATOM 0 HG LEU A 65 -2.255 1.289 4.463 1.00 65.30 H new ATOM 0 HD11 LEU A 65 -3.321 -0.560 5.729 1.00 44.11 H new ATOM 0 HD12 LEU A 65 -2.376 -1.158 4.345 1.00 44.11 H new ATOM 0 HD13 LEU A 65 -1.720 -1.291 5.994 1.00 44.11 H new ATOM 0 HD21 LEU A 65 -2.679 1.570 6.877 1.00 31.41 H new ATOM 0 HD22 LEU A 65 -1.036 0.981 7.227 1.00 31.41 H new ATOM 0 HD23 LEU A 65 -1.264 2.501 6.330 1.00 31.41 H new ATOM 1113 N LEU A 66 2.770 0.091 4.060 1.00 42.23 N ATOM 1114 CA LEU A 66 3.926 -0.221 3.203 1.00 64.42 C ATOM 1115 C LEU A 66 4.972 -1.061 3.956 1.00 33.41 C ATOM 1116 O LEU A 66 5.809 -1.723 3.338 1.00 60.31 O ATOM 1117 CB LEU A 66 4.509 1.086 2.604 1.00 13.21 C ATOM 1118 CG LEU A 66 4.918 2.212 3.627 1.00 60.11 C ATOM 1119 CD1 LEU A 66 6.393 2.114 4.088 1.00 1.32 C ATOM 1120 CD2 LEU A 66 4.610 3.611 3.077 1.00 72.33 C ATOM 0 H LEU A 66 2.704 1.075 4.319 1.00 42.23 H new ATOM 0 HA LEU A 66 3.596 -0.840 2.368 1.00 64.42 H new ATOM 0 HB2 LEU A 66 5.388 0.827 2.013 1.00 13.21 H new ATOM 0 HB3 LEU A 66 3.774 1.502 1.916 1.00 13.21 H new ATOM 0 HG LEU A 66 4.304 2.045 4.512 1.00 60.11 H new ATOM 0 HD11 LEU A 66 6.609 2.919 4.791 1.00 1.32 H new ATOM 0 HD12 LEU A 66 6.559 1.153 4.574 1.00 1.32 H new ATOM 0 HD13 LEU A 66 7.051 2.202 3.223 1.00 1.32 H new ATOM 0 HD21 LEU A 66 4.905 4.363 3.809 1.00 72.33 H new ATOM 0 HD22 LEU A 66 5.164 3.768 2.152 1.00 72.33 H new ATOM 0 HD23 LEU A 66 3.542 3.697 2.879 1.00 72.33 H new ATOM 1132 N GLU A 67 4.902 -1.027 5.301 1.00 71.31 N ATOM 1133 CA GLU A 67 5.691 -1.889 6.167 1.00 55.15 C ATOM 1134 C GLU A 67 5.205 -3.344 6.046 1.00 15.13 C ATOM 1135 O GLU A 67 6.017 -4.251 5.933 1.00 23.11 O ATOM 1136 CB GLU A 67 5.586 -1.420 7.632 1.00 14.12 C ATOM 1137 CG GLU A 67 6.615 -2.071 8.555 1.00 15.33 C ATOM 1138 CD GLU A 67 6.374 -1.801 10.043 1.00 53.11 C ATOM 1139 OE1 GLU A 67 6.610 -0.671 10.500 1.00 63.10 O ATOM 1140 OE2 GLU A 67 5.954 -2.725 10.770 1.00 44.42 O ATOM 0 H GLU A 67 4.288 -0.391 5.809 1.00 71.31 H new ATOM 0 HA GLU A 67 6.734 -1.834 5.856 1.00 55.15 H new ATOM 0 HB2 GLU A 67 5.710 -0.338 7.669 1.00 14.12 H new ATOM 0 HB3 GLU A 67 4.585 -1.639 8.005 1.00 14.12 H new ATOM 0 HG2 GLU A 67 6.610 -3.148 8.386 1.00 15.33 H new ATOM 0 HG3 GLU A 67 7.608 -1.711 8.287 1.00 15.33 H new ATOM 1147 N ARG A 68 3.868 -3.547 6.051 1.00 14.42 N ATOM 1148 CA ARG A 68 3.266 -4.886 5.859 1.00 22.55 C ATOM 1149 C ARG A 68 3.672 -5.480 4.501 1.00 3.54 C ATOM 1150 O ARG A 68 3.908 -6.682 4.390 1.00 23.55 O ATOM 1151 CB ARG A 68 1.721 -4.836 5.961 1.00 55.33 C ATOM 1152 CG ARG A 68 1.130 -4.486 7.345 1.00 4.32 C ATOM 1153 CD ARG A 68 1.592 -5.432 8.473 1.00 63.43 C ATOM 1154 NE ARG A 68 2.943 -5.100 8.972 1.00 44.22 N ATOM 1155 CZ ARG A 68 3.815 -5.954 9.526 1.00 71.55 C ATOM 1156 NH1 ARG A 68 3.518 -7.244 9.667 1.00 63.44 N ATOM 1157 NH2 ARG A 68 4.974 -5.499 9.992 1.00 63.35 N ATOM 0 H ARG A 68 3.186 -2.801 6.186 1.00 14.42 H new ATOM 0 HA ARG A 68 3.645 -5.524 6.657 1.00 22.55 H new ATOM 0 HB2 ARG A 68 1.355 -4.105 5.240 1.00 55.33 H new ATOM 0 HB3 ARG A 68 1.328 -5.807 5.658 1.00 55.33 H new ATOM 0 HG2 ARG A 68 1.410 -3.464 7.602 1.00 4.32 H new ATOM 0 HG3 ARG A 68 0.042 -4.513 7.283 1.00 4.32 H new ATOM 0 HD2 ARG A 68 0.881 -5.383 9.298 1.00 63.43 H new ATOM 0 HD3 ARG A 68 1.585 -6.459 8.107 1.00 63.43 H new ATOM 0 HE ARG A 68 3.240 -4.128 8.887 1.00 44.22 H new ATOM 0 HH11 ARG A 68 2.615 -7.597 9.351 1.00 63.44 H new ATOM 0 HH12 ARG A 68 4.194 -7.880 10.091 1.00 63.44 H new ATOM 0 HH21 ARG A 68 5.195 -4.505 9.927 1.00 63.35 H new ATOM 0 HH22 ARG A 68 5.642 -6.144 10.415 1.00 63.35 H new ATOM 1171 N ILE A 69 3.754 -4.603 3.489 1.00 4.32 N ATOM 1172 CA ILE A 69 4.148 -4.960 2.118 1.00 3.43 C ATOM 1173 C ILE A 69 5.599 -5.458 2.083 1.00 54.32 C ATOM 1174 O ILE A 69 5.874 -6.508 1.493 1.00 35.43 O ATOM 1175 CB ILE A 69 3.989 -3.732 1.153 1.00 24.42 C ATOM 1176 CG1 ILE A 69 2.514 -3.227 1.172 1.00 35.32 C ATOM 1177 CG2 ILE A 69 4.464 -4.066 -0.287 1.00 12.15 C ATOM 1178 CD1 ILE A 69 2.278 -1.943 0.406 1.00 44.14 C ATOM 0 H ILE A 69 3.545 -3.611 3.602 1.00 4.32 H new ATOM 0 HA ILE A 69 3.489 -5.760 1.781 1.00 3.43 H new ATOM 0 HB ILE A 69 4.632 -2.928 1.512 1.00 24.42 H new ATOM 0 HG12 ILE A 69 1.872 -4.005 0.758 1.00 35.32 H new ATOM 0 HG13 ILE A 69 2.208 -3.078 2.208 1.00 35.32 H new ATOM 0 HG21 ILE A 69 4.338 -3.191 -0.924 1.00 12.15 H new ATOM 0 HG22 ILE A 69 5.516 -4.351 -0.266 1.00 12.15 H new ATOM 0 HG23 ILE A 69 3.872 -4.891 -0.683 1.00 12.15 H new ATOM 0 HD11 ILE A 69 1.226 -1.667 0.474 1.00 44.14 H new ATOM 0 HD12 ILE A 69 2.890 -1.148 0.832 1.00 44.14 H new ATOM 0 HD13 ILE A 69 2.549 -2.088 -0.640 1.00 44.14 H new ATOM 1190 N ARG A 70 6.513 -4.712 2.756 1.00 23.12 N ATOM 1191 CA ARG A 70 7.951 -5.046 2.750 1.00 3.13 C ATOM 1192 C ARG A 70 8.183 -6.415 3.408 1.00 40.14 C ATOM 1193 O ARG A 70 9.050 -7.161 2.969 1.00 31.24 O ATOM 1194 CB ARG A 70 8.833 -3.948 3.415 1.00 75.21 C ATOM 1195 CG ARG A 70 8.938 -4.011 4.948 1.00 32.33 C ATOM 1196 CD ARG A 70 9.826 -2.932 5.568 1.00 3.01 C ATOM 1197 NE ARG A 70 10.010 -3.165 7.010 1.00 22.24 N ATOM 1198 CZ ARG A 70 10.705 -2.380 7.843 1.00 22.51 C ATOM 1199 NH1 ARG A 70 11.298 -1.270 7.401 1.00 63.03 N ATOM 1200 NH2 ARG A 70 10.835 -2.738 9.112 1.00 12.23 N ATOM 0 H ARG A 70 6.277 -3.884 3.303 1.00 23.12 H new ATOM 0 HA ARG A 70 8.263 -5.095 1.707 1.00 3.13 H new ATOM 0 HB2 ARG A 70 9.838 -4.014 2.998 1.00 75.21 H new ATOM 0 HB3 ARG A 70 8.436 -2.972 3.137 1.00 75.21 H new ATOM 0 HG2 ARG A 70 7.937 -3.928 5.372 1.00 32.33 H new ATOM 0 HG3 ARG A 70 9.324 -4.990 5.233 1.00 32.33 H new ATOM 0 HD2 ARG A 70 10.796 -2.924 5.071 1.00 3.01 H new ATOM 0 HD3 ARG A 70 9.378 -1.951 5.409 1.00 3.01 H new ATOM 0 HE ARG A 70 9.571 -3.995 7.408 1.00 22.24 H new ATOM 0 HH11 ARG A 70 11.225 -1.010 6.417 1.00 63.03 H new ATOM 0 HH12 ARG A 70 11.824 -0.681 8.047 1.00 63.03 H new ATOM 0 HH21 ARG A 70 10.408 -3.603 9.444 1.00 12.23 H new ATOM 0 HH22 ARG A 70 11.362 -2.149 9.757 1.00 12.23 H new ATOM 1214 N GLU A 71 7.344 -6.745 4.424 1.00 4.13 N ATOM 1215 CA GLU A 71 7.387 -8.051 5.101 1.00 44.02 C ATOM 1216 C GLU A 71 7.147 -9.175 4.089 1.00 24.42 C ATOM 1217 O GLU A 71 7.819 -10.202 4.140 1.00 52.42 O ATOM 1218 CB GLU A 71 6.322 -8.159 6.223 1.00 24.44 C ATOM 1219 CG GLU A 71 6.380 -7.056 7.286 1.00 55.50 C ATOM 1220 CD GLU A 71 7.772 -6.844 7.908 1.00 74.10 C ATOM 1221 OE1 GLU A 71 8.401 -5.794 7.654 1.00 13.02 O ATOM 1222 OE2 GLU A 71 8.245 -7.724 8.663 1.00 20.31 O ATOM 0 H GLU A 71 6.629 -6.115 4.788 1.00 4.13 H new ATOM 0 HA GLU A 71 8.375 -8.146 5.551 1.00 44.02 H new ATOM 0 HB2 GLU A 71 5.333 -8.149 5.765 1.00 24.44 H new ATOM 0 HB3 GLU A 71 6.435 -9.124 6.717 1.00 24.44 H new ATOM 0 HG2 GLU A 71 6.049 -6.119 6.838 1.00 55.50 H new ATOM 0 HG3 GLU A 71 5.673 -7.296 8.080 1.00 55.50 H new ATOM 1229 N LYS A 72 6.190 -8.944 3.155 1.00 42.51 N ATOM 1230 CA LYS A 72 5.767 -9.965 2.182 1.00 63.13 C ATOM 1231 C LYS A 72 6.847 -10.135 1.116 1.00 45.14 C ATOM 1232 O LYS A 72 7.290 -11.243 0.873 1.00 44.35 O ATOM 1233 CB LYS A 72 4.389 -9.618 1.525 1.00 33.03 C ATOM 1234 CG LYS A 72 3.274 -9.215 2.529 1.00 42.15 C ATOM 1235 CD LYS A 72 3.184 -10.156 3.769 1.00 32.04 C ATOM 1236 CE LYS A 72 2.251 -9.605 4.869 1.00 61.43 C ATOM 1237 NZ LYS A 72 0.822 -9.668 4.493 1.00 15.53 N ATOM 0 H LYS A 72 5.700 -8.055 3.061 1.00 42.51 H new ATOM 0 HA LYS A 72 5.633 -10.905 2.717 1.00 63.13 H new ATOM 0 HB2 LYS A 72 4.535 -8.802 0.818 1.00 33.03 H new ATOM 0 HB3 LYS A 72 4.048 -10.480 0.951 1.00 33.03 H new ATOM 0 HG2 LYS A 72 3.454 -8.195 2.869 1.00 42.15 H new ATOM 0 HG3 LYS A 72 2.314 -9.214 2.013 1.00 42.15 H new ATOM 0 HD2 LYS A 72 2.826 -11.135 3.452 1.00 32.04 H new ATOM 0 HD3 LYS A 72 4.182 -10.301 4.183 1.00 32.04 H new ATOM 0 HE2 LYS A 72 2.406 -10.171 5.787 1.00 61.43 H new ATOM 0 HE3 LYS A 72 2.520 -8.571 5.083 1.00 61.43 H new ATOM 0 HZ1 LYS A 72 0.237 -9.365 5.298 1.00 15.53 H new ATOM 0 HZ2 LYS A 72 0.648 -9.039 3.683 1.00 15.53 H new ATOM 0 HZ3 LYS A 72 0.574 -10.644 4.233 1.00 15.53 H new ATOM 1251 N ILE A 73 7.316 -9.002 0.544 1.00 31.13 N ATOM 1252 CA ILE A 73 8.266 -9.016 -0.593 1.00 42.45 C ATOM 1253 C ILE A 73 9.629 -9.639 -0.183 1.00 71.42 C ATOM 1254 O ILE A 73 10.280 -10.299 -1.000 1.00 74.12 O ATOM 1255 CB ILE A 73 8.422 -7.570 -1.250 1.00 44.00 C ATOM 1256 CG1 ILE A 73 9.139 -6.511 -0.326 1.00 32.11 C ATOM 1257 CG2 ILE A 73 7.030 -7.028 -1.674 1.00 14.20 C ATOM 1258 CD1 ILE A 73 10.654 -6.464 -0.415 1.00 71.41 C ATOM 0 H ILE A 73 7.052 -8.066 0.851 1.00 31.13 H new ATOM 0 HA ILE A 73 7.849 -9.659 -1.368 1.00 42.45 H new ATOM 0 HB ILE A 73 9.068 -7.707 -2.117 1.00 44.00 H new ATOM 0 HG12 ILE A 73 8.750 -5.523 -0.571 1.00 32.11 H new ATOM 0 HG13 ILE A 73 8.862 -6.715 0.708 1.00 32.11 H new ATOM 0 HG21 ILE A 73 7.145 -6.041 -2.122 1.00 14.20 H new ATOM 0 HG22 ILE A 73 6.581 -7.706 -2.400 1.00 14.20 H new ATOM 0 HG23 ILE A 73 6.385 -6.957 -0.798 1.00 14.20 H new ATOM 0 HD11 ILE A 73 11.035 -5.700 0.263 1.00 71.41 H new ATOM 0 HD12 ILE A 73 11.065 -7.434 -0.136 1.00 71.41 H new ATOM 0 HD13 ILE A 73 10.951 -6.224 -1.436 1.00 71.41 H new ATOM 1270 N GLU A 74 10.018 -9.437 1.102 1.00 2.00 N ATOM 1271 CA GLU A 74 11.256 -10.011 1.686 1.00 1.13 C ATOM 1272 C GLU A 74 11.058 -11.498 2.045 1.00 72.32 C ATOM 1273 O GLU A 74 11.962 -12.312 1.837 1.00 74.52 O ATOM 1274 CB GLU A 74 11.701 -9.189 2.941 1.00 12.01 C ATOM 1275 CG GLU A 74 12.146 -7.741 2.624 1.00 53.34 C ATOM 1276 CD GLU A 74 12.551 -6.916 3.861 1.00 55.02 C ATOM 1277 OE1 GLU A 74 13.762 -6.844 4.176 1.00 72.13 O ATOM 1278 OE2 GLU A 74 11.666 -6.333 4.524 1.00 32.23 O ATOM 0 H GLU A 74 9.482 -8.872 1.761 1.00 2.00 H new ATOM 0 HA GLU A 74 12.047 -9.950 0.938 1.00 1.13 H new ATOM 0 HB2 GLU A 74 10.875 -9.156 3.652 1.00 12.01 H new ATOM 0 HB3 GLU A 74 12.523 -9.711 3.431 1.00 12.01 H new ATOM 0 HG2 GLU A 74 12.988 -7.775 1.933 1.00 53.34 H new ATOM 0 HG3 GLU A 74 11.333 -7.228 2.110 1.00 53.34 H new ATOM 1285 N ARG A 75 9.855 -11.837 2.563 1.00 44.22 N ATOM 1286 CA ARG A 75 9.488 -13.220 2.944 1.00 24.23 C ATOM 1287 C ARG A 75 9.480 -14.151 1.715 1.00 52.53 C ATOM 1288 O ARG A 75 9.961 -15.292 1.775 1.00 10.55 O ATOM 1289 CB ARG A 75 8.090 -13.225 3.615 1.00 13.41 C ATOM 1290 CG ARG A 75 7.652 -14.580 4.212 1.00 63.05 C ATOM 1291 CD ARG A 75 6.160 -14.604 4.575 1.00 3.22 C ATOM 1292 NE ARG A 75 5.322 -14.475 3.375 1.00 11.43 N ATOM 1293 CZ ARG A 75 4.022 -14.150 3.347 1.00 72.24 C ATOM 1294 NH1 ARG A 75 3.348 -13.890 4.468 1.00 45.51 N ATOM 1295 NH2 ARG A 75 3.398 -14.101 2.182 1.00 34.31 N ATOM 0 H ARG A 75 9.111 -11.159 2.729 1.00 44.22 H new ATOM 0 HA ARG A 75 10.234 -13.590 3.648 1.00 24.23 H new ATOM 0 HB2 ARG A 75 8.083 -12.477 4.408 1.00 13.41 H new ATOM 0 HB3 ARG A 75 7.350 -12.915 2.878 1.00 13.41 H new ATOM 0 HG2 ARG A 75 7.862 -15.374 3.496 1.00 63.05 H new ATOM 0 HG3 ARG A 75 8.244 -14.790 5.103 1.00 63.05 H new ATOM 0 HD2 ARG A 75 5.923 -15.535 5.090 1.00 3.22 H new ATOM 0 HD3 ARG A 75 5.938 -13.792 5.267 1.00 3.22 H new ATOM 0 HE ARG A 75 5.773 -14.650 2.477 1.00 11.43 H new ATOM 0 HH11 ARG A 75 3.822 -13.936 5.370 1.00 45.51 H new ATOM 0 HH12 ARG A 75 2.359 -13.645 4.423 1.00 45.51 H new ATOM 0 HH21 ARG A 75 3.906 -14.309 1.322 1.00 34.31 H new ATOM 0 HH22 ARG A 75 2.409 -13.855 2.143 1.00 34.31 H new ATOM 1309 N GLU A 76 8.931 -13.637 0.602 1.00 20.10 N ATOM 1310 CA GLU A 76 8.852 -14.367 -0.666 1.00 5.31 C ATOM 1311 C GLU A 76 10.251 -14.517 -1.271 1.00 61.21 C ATOM 1312 O GLU A 76 10.625 -15.595 -1.748 1.00 15.45 O ATOM 1313 CB GLU A 76 7.920 -13.626 -1.666 1.00 30.41 C ATOM 1314 CG GLU A 76 6.471 -13.423 -1.175 1.00 74.21 C ATOM 1315 CD GLU A 76 5.774 -14.719 -0.749 1.00 23.10 C ATOM 1316 OE1 GLU A 76 5.645 -14.965 0.463 1.00 4.30 O ATOM 1317 OE2 GLU A 76 5.360 -15.497 -1.625 1.00 51.34 O ATOM 0 H GLU A 76 8.529 -12.700 0.560 1.00 20.10 H new ATOM 0 HA GLU A 76 8.437 -15.356 -0.471 1.00 5.31 H new ATOM 0 HB2 GLU A 76 8.353 -12.651 -1.889 1.00 30.41 H new ATOM 0 HB3 GLU A 76 7.896 -14.186 -2.601 1.00 30.41 H new ATOM 0 HG2 GLU A 76 6.476 -12.731 -0.333 1.00 74.21 H new ATOM 0 HG3 GLU A 76 5.891 -12.954 -1.969 1.00 74.21 H new ATOM 1324 N GLY A 77 11.016 -13.401 -1.260 1.00 63.41 N ATOM 1325 CA GLY A 77 12.334 -13.343 -1.892 1.00 73.45 C ATOM 1326 C GLY A 77 12.258 -13.019 -3.385 1.00 62.44 C ATOM 1327 O GLY A 77 13.221 -12.493 -3.954 1.00 31.02 O ATOM 0 H GLY A 77 10.731 -12.529 -0.815 1.00 63.41 H new ATOM 0 HA2 GLY A 77 12.940 -12.588 -1.391 1.00 73.45 H new ATOM 0 HA3 GLY A 77 12.840 -14.299 -1.757 1.00 73.45 H new ATOM 1331 N SER A 78 11.103 -13.338 -4.003 1.00 22.15 N ATOM 1332 CA SER A 78 10.837 -13.108 -5.426 1.00 55.13 C ATOM 1333 C SER A 78 10.608 -11.616 -5.706 1.00 15.45 C ATOM 1334 O SER A 78 9.875 -10.946 -4.966 1.00 2.24 O ATOM 1335 CB SER A 78 9.591 -13.917 -5.846 1.00 61.22 C ATOM 1336 OG SER A 78 9.735 -15.295 -5.536 1.00 15.54 O ATOM 0 H SER A 78 10.319 -13.770 -3.513 1.00 22.15 H new ATOM 0 HA SER A 78 11.703 -13.433 -6.003 1.00 55.13 H new ATOM 0 HB2 SER A 78 8.711 -13.520 -5.341 1.00 61.22 H new ATOM 0 HB3 SER A 78 9.424 -13.800 -6.917 1.00 61.22 H new ATOM 0 HG SER A 78 8.853 -15.723 -5.531 1.00 15.54 H new ATOM 1342 N SER A 79 11.235 -11.117 -6.784 1.00 42.13 N ATOM 1343 CA SER A 79 11.132 -9.712 -7.225 1.00 14.42 C ATOM 1344 C SER A 79 9.764 -9.417 -7.887 1.00 51.14 C ATOM 1345 O SER A 79 9.359 -8.250 -7.983 1.00 4.54 O ATOM 1346 CB SER A 79 12.272 -9.403 -8.219 1.00 71.13 C ATOM 1347 OG SER A 79 13.544 -9.733 -7.685 1.00 23.43 O ATOM 0 H SER A 79 11.836 -11.684 -7.383 1.00 42.13 H new ATOM 0 HA SER A 79 11.218 -9.074 -6.346 1.00 14.42 H new ATOM 0 HB2 SER A 79 12.110 -9.960 -9.142 1.00 71.13 H new ATOM 0 HB3 SER A 79 12.251 -8.344 -8.478 1.00 71.13 H new ATOM 0 HG SER A 79 14.239 -9.525 -8.344 1.00 23.43 H new ATOM 1353 N GLU A 80 9.076 -10.488 -8.342 1.00 72.12 N ATOM 1354 CA GLU A 80 7.787 -10.390 -9.040 1.00 21.31 C ATOM 1355 C GLU A 80 6.674 -10.021 -8.034 1.00 52.14 C ATOM 1356 O GLU A 80 6.008 -10.894 -7.462 1.00 43.42 O ATOM 1357 CB GLU A 80 7.450 -11.719 -9.766 1.00 44.24 C ATOM 1358 CG GLU A 80 6.206 -11.634 -10.680 1.00 1.05 C ATOM 1359 CD GLU A 80 5.691 -13.004 -11.129 1.00 41.12 C ATOM 1360 OE1 GLU A 80 4.940 -13.632 -10.365 1.00 53.52 O ATOM 1361 OE2 GLU A 80 6.037 -13.462 -12.235 1.00 63.55 O ATOM 0 H GLU A 80 9.406 -11.447 -8.232 1.00 72.12 H new ATOM 0 HA GLU A 80 7.856 -9.606 -9.794 1.00 21.31 H new ATOM 0 HB2 GLU A 80 8.309 -12.023 -10.365 1.00 44.24 H new ATOM 0 HB3 GLU A 80 7.289 -12.498 -9.021 1.00 44.24 H new ATOM 0 HG2 GLU A 80 5.410 -11.110 -10.151 1.00 1.05 H new ATOM 0 HG3 GLU A 80 6.450 -11.039 -11.560 1.00 1.05 H new ATOM 1368 N VAL A 81 6.536 -8.710 -7.784 1.00 53.20 N ATOM 1369 CA VAL A 81 5.596 -8.157 -6.796 1.00 72.45 C ATOM 1370 C VAL A 81 4.723 -7.064 -7.455 1.00 24.13 C ATOM 1371 O VAL A 81 5.192 -6.337 -8.348 1.00 13.31 O ATOM 1372 CB VAL A 81 6.365 -7.589 -5.532 1.00 33.51 C ATOM 1373 CG1 VAL A 81 7.282 -8.671 -4.903 1.00 40.33 C ATOM 1374 CG2 VAL A 81 7.175 -6.310 -5.854 1.00 23.32 C ATOM 0 H VAL A 81 7.080 -7.996 -8.268 1.00 53.20 H new ATOM 0 HA VAL A 81 4.945 -8.959 -6.447 1.00 72.45 H new ATOM 0 HB VAL A 81 5.602 -7.311 -4.805 1.00 33.51 H new ATOM 0 HG11 VAL A 81 7.797 -8.253 -4.038 1.00 40.33 H new ATOM 0 HG12 VAL A 81 6.678 -9.522 -4.590 1.00 40.33 H new ATOM 0 HG13 VAL A 81 8.016 -8.998 -5.639 1.00 40.33 H new ATOM 0 HG21 VAL A 81 7.682 -5.964 -4.953 1.00 23.32 H new ATOM 0 HG22 VAL A 81 7.914 -6.532 -6.624 1.00 23.32 H new ATOM 0 HG23 VAL A 81 6.500 -5.533 -6.212 1.00 23.32 H new ATOM 1384 N GLU A 82 3.455 -6.980 -7.029 1.00 35.04 N ATOM 1385 CA GLU A 82 2.467 -6.031 -7.572 1.00 63.21 C ATOM 1386 C GLU A 82 1.559 -5.517 -6.440 1.00 24.54 C ATOM 1387 O GLU A 82 0.717 -6.259 -5.937 1.00 54.33 O ATOM 1388 CB GLU A 82 1.612 -6.723 -8.666 1.00 44.34 C ATOM 1389 CG GLU A 82 0.545 -5.809 -9.317 1.00 50.42 C ATOM 1390 CD GLU A 82 -0.416 -6.575 -10.229 1.00 10.41 C ATOM 1391 OE1 GLU A 82 -0.096 -6.789 -11.415 1.00 13.13 O ATOM 1392 OE2 GLU A 82 -1.490 -6.991 -9.757 1.00 34.11 O ATOM 0 H GLU A 82 3.080 -7.575 -6.290 1.00 35.04 H new ATOM 0 HA GLU A 82 2.993 -5.186 -8.017 1.00 63.21 H new ATOM 0 HB2 GLU A 82 2.275 -7.098 -9.445 1.00 44.34 H new ATOM 0 HB3 GLU A 82 1.114 -7.588 -8.228 1.00 44.34 H new ATOM 0 HG2 GLU A 82 -0.025 -5.309 -8.534 1.00 50.42 H new ATOM 0 HG3 GLU A 82 1.044 -5.030 -9.894 1.00 50.42 H new ATOM 1399 N VAL A 83 1.728 -4.252 -6.041 1.00 1.22 N ATOM 1400 CA VAL A 83 0.894 -3.615 -5.013 1.00 54.45 C ATOM 1401 C VAL A 83 -0.182 -2.753 -5.689 1.00 63.12 C ATOM 1402 O VAL A 83 0.129 -1.751 -6.336 1.00 41.31 O ATOM 1403 CB VAL A 83 1.736 -2.716 -4.039 1.00 20.20 C ATOM 1404 CG1 VAL A 83 0.847 -2.171 -2.895 1.00 53.31 C ATOM 1405 CG2 VAL A 83 2.960 -3.486 -3.496 1.00 33.21 C ATOM 0 H VAL A 83 2.448 -3.639 -6.422 1.00 1.22 H new ATOM 0 HA VAL A 83 0.437 -4.409 -4.423 1.00 54.45 H new ATOM 0 HB VAL A 83 2.114 -1.861 -4.599 1.00 20.20 H new ATOM 0 HG11 VAL A 83 1.449 -1.551 -2.231 1.00 53.31 H new ATOM 0 HG12 VAL A 83 0.038 -1.574 -3.316 1.00 53.31 H new ATOM 0 HG13 VAL A 83 0.427 -3.004 -2.332 1.00 53.31 H new ATOM 0 HG21 VAL A 83 3.527 -2.841 -2.824 1.00 33.21 H new ATOM 0 HG22 VAL A 83 2.623 -4.369 -2.953 1.00 33.21 H new ATOM 0 HG23 VAL A 83 3.596 -3.792 -4.327 1.00 33.21 H new ATOM 1415 N ASN A 84 -1.442 -3.156 -5.519 1.00 52.43 N ATOM 1416 CA ASN A 84 -2.602 -2.475 -6.090 1.00 13.42 C ATOM 1417 C ASN A 84 -3.251 -1.667 -4.965 1.00 13.00 C ATOM 1418 O ASN A 84 -3.860 -2.237 -4.056 1.00 52.45 O ATOM 1419 CB ASN A 84 -3.596 -3.530 -6.652 1.00 30.42 C ATOM 1420 CG ASN A 84 -2.931 -4.520 -7.613 1.00 73.32 C ATOM 1421 OD1 ASN A 84 -2.945 -4.339 -8.828 1.00 74.34 O ATOM 1422 ND2 ASN A 84 -2.315 -5.568 -7.072 1.00 22.34 N ATOM 0 H ASN A 84 -1.688 -3.980 -4.970 1.00 52.43 H new ATOM 0 HA ASN A 84 -2.313 -1.815 -6.908 1.00 13.42 H new ATOM 0 HB2 ASN A 84 -4.042 -4.079 -5.823 1.00 30.42 H new ATOM 0 HB3 ASN A 84 -4.408 -3.018 -7.169 1.00 30.42 H new ATOM 0 HD21 ASN A 84 -1.839 -6.244 -7.669 1.00 22.34 H new ATOM 0 HD22 ASN A 84 -2.318 -5.695 -6.060 1.00 22.34 H new ATOM 1429 N VAL A 85 -3.082 -0.344 -5.016 1.00 63.42 N ATOM 1430 CA VAL A 85 -3.635 0.576 -4.018 1.00 71.45 C ATOM 1431 C VAL A 85 -4.963 1.136 -4.541 1.00 2.32 C ATOM 1432 O VAL A 85 -4.977 1.917 -5.484 1.00 34.30 O ATOM 1433 CB VAL A 85 -2.631 1.748 -3.704 1.00 74.43 C ATOM 1434 CG1 VAL A 85 -3.212 2.712 -2.635 1.00 33.23 C ATOM 1435 CG2 VAL A 85 -1.251 1.193 -3.270 1.00 34.14 C ATOM 0 H VAL A 85 -2.555 0.122 -5.754 1.00 63.42 H new ATOM 0 HA VAL A 85 -3.803 0.032 -3.089 1.00 71.45 H new ATOM 0 HB VAL A 85 -2.487 2.321 -4.620 1.00 74.43 H new ATOM 0 HG11 VAL A 85 -2.497 3.511 -2.439 1.00 33.23 H new ATOM 0 HG12 VAL A 85 -4.145 3.142 -3.001 1.00 33.23 H new ATOM 0 HG13 VAL A 85 -3.403 2.161 -1.714 1.00 33.23 H new ATOM 0 HG21 VAL A 85 -0.576 2.022 -3.059 1.00 34.14 H new ATOM 0 HG22 VAL A 85 -1.369 0.584 -2.374 1.00 34.14 H new ATOM 0 HG23 VAL A 85 -0.836 0.582 -4.072 1.00 34.14 H new ATOM 1445 N HIS A 86 -6.072 0.686 -3.950 1.00 74.10 N ATOM 1446 CA HIS A 86 -7.422 1.156 -4.284 1.00 43.21 C ATOM 1447 C HIS A 86 -7.798 2.246 -3.266 1.00 12.15 C ATOM 1448 O HIS A 86 -7.389 2.167 -2.109 1.00 65.21 O ATOM 1449 CB HIS A 86 -8.424 -0.024 -4.210 1.00 13.23 C ATOM 1450 CG HIS A 86 -8.019 -1.246 -5.012 1.00 50.14 C ATOM 1451 ND1 HIS A 86 -8.502 -1.517 -6.274 1.00 64.15 N ATOM 1452 CD2 HIS A 86 -7.181 -2.278 -4.715 1.00 52.22 C ATOM 1453 CE1 HIS A 86 -7.982 -2.645 -6.712 1.00 32.15 C ATOM 1454 NE2 HIS A 86 -7.180 -3.128 -5.788 1.00 12.32 N ATOM 0 H HIS A 86 -6.060 -0.023 -3.217 1.00 74.10 H new ATOM 0 HA HIS A 86 -7.453 1.559 -5.296 1.00 43.21 H new ATOM 0 HB2 HIS A 86 -8.547 -0.315 -3.167 1.00 13.23 H new ATOM 0 HB3 HIS A 86 -9.397 0.320 -4.562 1.00 13.23 H new ATOM 0 HD2 HIS A 86 -6.620 -2.403 -3.801 1.00 52.22 H new ATOM 0 HE1 HIS A 86 -8.181 -3.099 -7.672 1.00 32.15 H new ATOM 0 HE2 HIS A 86 -6.645 -3.994 -5.859 1.00 12.32 H new ATOM 1463 N SER A 87 -8.541 3.266 -3.696 1.00 44.54 N ATOM 1464 CA SER A 87 -8.927 4.399 -2.841 1.00 44.24 C ATOM 1465 C SER A 87 -10.124 5.109 -3.479 1.00 72.53 C ATOM 1466 O SER A 87 -9.969 5.758 -4.523 1.00 1.25 O ATOM 1467 CB SER A 87 -7.732 5.362 -2.683 1.00 31.50 C ATOM 1468 OG SER A 87 -8.015 6.401 -1.778 1.00 21.22 O ATOM 0 H SER A 87 -8.896 3.334 -4.650 1.00 44.54 H new ATOM 0 HA SER A 87 -9.210 4.047 -1.849 1.00 44.24 H new ATOM 0 HB2 SER A 87 -6.860 4.806 -2.337 1.00 31.50 H new ATOM 0 HB3 SER A 87 -7.475 5.785 -3.654 1.00 31.50 H new ATOM 0 HG SER A 87 -8.447 7.141 -2.254 1.00 21.22 H new ATOM 1474 N GLY A 88 -11.316 4.969 -2.858 1.00 11.54 N ATOM 1475 CA GLY A 88 -12.567 5.480 -3.424 1.00 52.23 C ATOM 1476 C GLY A 88 -12.979 4.704 -4.677 1.00 40.43 C ATOM 1477 O GLY A 88 -13.604 3.643 -4.576 1.00 62.25 O ATOM 0 H GLY A 88 -11.429 4.502 -1.959 1.00 11.54 H new ATOM 0 HA2 GLY A 88 -13.358 5.413 -2.678 1.00 52.23 H new ATOM 0 HA3 GLY A 88 -12.451 6.535 -3.671 1.00 52.23 H new ATOM 1481 N GLY A 89 -12.587 5.229 -5.854 1.00 33.14 N ATOM 1482 CA GLY A 89 -12.771 4.550 -7.149 1.00 1.50 C ATOM 1483 C GLY A 89 -11.501 4.580 -8.001 1.00 64.55 C ATOM 1484 O GLY A 89 -11.503 4.110 -9.143 1.00 31.11 O ATOM 0 H GLY A 89 -12.133 6.139 -5.932 1.00 33.14 H new ATOM 0 HA2 GLY A 89 -13.067 3.515 -6.976 1.00 1.50 H new ATOM 0 HA3 GLY A 89 -13.585 5.027 -7.695 1.00 1.50 H new ATOM 1488 N GLN A 90 -10.410 5.145 -7.440 1.00 2.04 N ATOM 1489 CA GLN A 90 -9.086 5.211 -8.097 1.00 73.30 C ATOM 1490 C GLN A 90 -8.217 4.020 -7.667 1.00 63.21 C ATOM 1491 O GLN A 90 -8.306 3.567 -6.526 1.00 15.42 O ATOM 1492 CB GLN A 90 -8.372 6.543 -7.736 1.00 73.21 C ATOM 1493 CG GLN A 90 -8.983 7.807 -8.373 1.00 51.01 C ATOM 1494 CD GLN A 90 -8.280 9.113 -7.972 1.00 12.04 C ATOM 1495 OE1 GLN A 90 -8.188 10.055 -8.772 1.00 42.02 O ATOM 1496 NE2 GLN A 90 -7.830 9.220 -6.724 1.00 14.43 N ATOM 0 H GLN A 90 -10.423 5.571 -6.513 1.00 2.04 H new ATOM 0 HA GLN A 90 -9.233 5.169 -9.176 1.00 73.30 H new ATOM 0 HB2 GLN A 90 -8.382 6.660 -6.652 1.00 73.21 H new ATOM 0 HB3 GLN A 90 -7.328 6.471 -8.039 1.00 73.21 H new ATOM 0 HG2 GLN A 90 -8.949 7.707 -9.458 1.00 51.01 H new ATOM 0 HG3 GLN A 90 -10.034 7.871 -8.091 1.00 51.01 H new ATOM 0 HE21 GLN A 90 -7.916 8.432 -6.082 1.00 14.43 H new ATOM 0 HE22 GLN A 90 -7.399 10.090 -6.410 1.00 14.43 H new ATOM 1505 N THR A 91 -7.370 3.518 -8.583 1.00 75.55 N ATOM 1506 CA THR A 91 -6.442 2.413 -8.299 1.00 65.21 C ATOM 1507 C THR A 91 -5.094 2.649 -9.002 1.00 24.24 C ATOM 1508 O THR A 91 -5.054 2.937 -10.203 1.00 50.24 O ATOM 1509 CB THR A 91 -7.037 1.025 -8.715 1.00 1.01 C ATOM 1510 OG1 THR A 91 -8.272 0.793 -8.008 1.00 34.22 O ATOM 1511 CG2 THR A 91 -6.056 -0.137 -8.425 1.00 13.03 C ATOM 0 H THR A 91 -7.311 3.868 -9.539 1.00 75.55 H new ATOM 0 HA THR A 91 -6.283 2.391 -7.221 1.00 65.21 H new ATOM 0 HB THR A 91 -7.216 1.054 -9.790 1.00 1.01 H new ATOM 0 HG1 THR A 91 -8.182 -0.004 -7.444 1.00 34.22 H new ATOM 0 HG21 THR A 91 -6.509 -1.080 -8.729 1.00 13.03 H new ATOM 0 HG22 THR A 91 -5.133 0.018 -8.983 1.00 13.03 H new ATOM 0 HG23 THR A 91 -5.834 -0.168 -7.358 1.00 13.03 H new ATOM 1519 N TRP A 92 -4.005 2.534 -8.226 1.00 31.44 N ATOM 1520 CA TRP A 92 -2.626 2.645 -8.711 1.00 63.00 C ATOM 1521 C TRP A 92 -1.961 1.270 -8.603 1.00 75.31 C ATOM 1522 O TRP A 92 -1.801 0.737 -7.498 1.00 3.41 O ATOM 1523 CB TRP A 92 -1.850 3.682 -7.862 1.00 35.24 C ATOM 1524 CG TRP A 92 -2.454 5.067 -7.894 1.00 10.33 C ATOM 1525 CD1 TRP A 92 -2.113 6.098 -8.725 1.00 11.45 C ATOM 1526 CD2 TRP A 92 -3.514 5.559 -7.061 1.00 45.43 C ATOM 1527 NE1 TRP A 92 -2.890 7.195 -8.455 1.00 72.44 N ATOM 1528 CE2 TRP A 92 -3.755 6.891 -7.438 1.00 70.25 C ATOM 1529 CE3 TRP A 92 -4.280 4.999 -6.033 1.00 61.23 C ATOM 1530 CZ2 TRP A 92 -4.727 7.670 -6.823 1.00 54.42 C ATOM 1531 CZ3 TRP A 92 -5.241 5.772 -5.424 1.00 25.40 C ATOM 1532 CH2 TRP A 92 -5.457 7.096 -5.819 1.00 44.43 C ATOM 0 H TRP A 92 -4.063 2.358 -7.223 1.00 31.44 H new ATOM 0 HA TRP A 92 -2.620 2.977 -9.749 1.00 63.00 H new ATOM 0 HB2 TRP A 92 -1.810 3.336 -6.829 1.00 35.24 H new ATOM 0 HB3 TRP A 92 -0.822 3.735 -8.220 1.00 35.24 H new ATOM 0 HD1 TRP A 92 -1.345 6.055 -9.483 1.00 11.45 H new ATOM 0 HE1 TRP A 92 -2.833 8.093 -8.935 1.00 72.44 H new ATOM 0 HE3 TRP A 92 -4.120 3.977 -5.723 1.00 61.23 H new ATOM 0 HZ2 TRP A 92 -4.900 8.692 -7.127 1.00 54.42 H new ATOM 0 HZ3 TRP A 92 -5.838 5.350 -4.629 1.00 25.40 H new ATOM 0 HH2 TRP A 92 -6.217 7.678 -5.320 1.00 44.43 H new ATOM 1543 N THR A 93 -1.594 0.689 -9.749 1.00 11.12 N ATOM 1544 CA THR A 93 -0.954 -0.626 -9.804 1.00 43.50 C ATOM 1545 C THR A 93 0.578 -0.456 -9.926 1.00 23.50 C ATOM 1546 O THR A 93 1.098 -0.128 -10.996 1.00 32.25 O ATOM 1547 CB THR A 93 -1.537 -1.460 -11.004 1.00 13.34 C ATOM 1548 OG1 THR A 93 -1.389 -0.738 -12.244 1.00 2.33 O ATOM 1549 CG2 THR A 93 -3.036 -1.790 -10.799 1.00 62.42 C ATOM 0 H THR A 93 -1.733 1.118 -10.664 1.00 11.12 H new ATOM 0 HA THR A 93 -1.163 -1.173 -8.885 1.00 43.50 H new ATOM 0 HB THR A 93 -0.973 -2.392 -11.044 1.00 13.34 H new ATOM 0 HG1 THR A 93 -0.512 -0.300 -12.265 1.00 2.33 H new ATOM 0 HG21 THR A 93 -3.401 -2.367 -11.649 1.00 62.42 H new ATOM 0 HG22 THR A 93 -3.159 -2.372 -9.886 1.00 62.42 H new ATOM 0 HG23 THR A 93 -3.605 -0.864 -10.718 1.00 62.42 H new ATOM 1557 N PHE A 94 1.287 -0.649 -8.802 1.00 52.31 N ATOM 1558 CA PHE A 94 2.757 -0.622 -8.760 1.00 53.21 C ATOM 1559 C PHE A 94 3.263 -2.054 -8.964 1.00 71.12 C ATOM 1560 O PHE A 94 3.142 -2.887 -8.073 1.00 0.42 O ATOM 1561 CB PHE A 94 3.259 -0.073 -7.394 1.00 2.40 C ATOM 1562 CG PHE A 94 2.772 1.333 -7.063 1.00 74.25 C ATOM 1563 CD1 PHE A 94 3.476 2.459 -7.502 1.00 5.24 C ATOM 1564 CD2 PHE A 94 1.615 1.532 -6.303 1.00 32.33 C ATOM 1565 CE1 PHE A 94 3.042 3.732 -7.193 1.00 12.23 C ATOM 1566 CE2 PHE A 94 1.185 2.806 -5.997 1.00 35.12 C ATOM 1567 CZ PHE A 94 1.896 3.907 -6.440 1.00 45.10 C ATOM 0 H PHE A 94 0.856 -0.828 -7.895 1.00 52.31 H new ATOM 0 HA PHE A 94 3.136 0.034 -9.544 1.00 53.21 H new ATOM 0 HB2 PHE A 94 2.938 -0.751 -6.603 1.00 2.40 H new ATOM 0 HB3 PHE A 94 4.349 -0.076 -7.393 1.00 2.40 H new ATOM 0 HD1 PHE A 94 4.372 2.330 -8.091 1.00 5.24 H new ATOM 0 HD2 PHE A 94 1.053 0.679 -5.952 1.00 32.33 H new ATOM 0 HE1 PHE A 94 3.597 4.591 -7.539 1.00 12.23 H new ATOM 0 HE2 PHE A 94 0.290 2.945 -5.409 1.00 35.12 H new ATOM 0 HZ PHE A 94 1.556 4.903 -6.198 1.00 45.10 H new ATOM 1577 N ASN A 95 3.819 -2.335 -10.139 1.00 12.23 N ATOM 1578 CA ASN A 95 4.295 -3.684 -10.505 1.00 73.30 C ATOM 1579 C ASN A 95 5.736 -3.584 -11.012 1.00 53.51 C ATOM 1580 O ASN A 95 6.017 -2.827 -11.950 1.00 1.45 O ATOM 1581 CB ASN A 95 3.335 -4.334 -11.553 1.00 3.14 C ATOM 1582 CG ASN A 95 3.028 -3.436 -12.759 1.00 75.13 C ATOM 1583 OD1 ASN A 95 3.699 -3.494 -13.791 1.00 24.11 O ATOM 1584 ND2 ASN A 95 2.020 -2.586 -12.632 1.00 65.02 N ATOM 0 H ASN A 95 3.957 -1.639 -10.872 1.00 12.23 H new ATOM 0 HA ASN A 95 4.290 -4.336 -9.632 1.00 73.30 H new ATOM 0 HB2 ASN A 95 3.778 -5.264 -11.909 1.00 3.14 H new ATOM 0 HB3 ASN A 95 2.399 -4.595 -11.060 1.00 3.14 H new ATOM 0 HD21 ASN A 95 1.783 -1.958 -13.400 1.00 65.02 H new ATOM 0 HD22 ASN A 95 1.481 -2.559 -11.766 1.00 65.02 H new ATOM 1591 N GLU A 96 6.652 -4.318 -10.352 1.00 52.22 N ATOM 1592 CA GLU A 96 8.089 -4.305 -10.691 1.00 33.43 C ATOM 1593 C GLU A 96 8.342 -5.084 -11.990 1.00 13.41 C ATOM 1594 O GLU A 96 7.548 -5.952 -12.366 1.00 53.32 O ATOM 1595 CB GLU A 96 8.928 -4.880 -9.513 1.00 64.03 C ATOM 1596 CG GLU A 96 8.764 -4.111 -8.177 1.00 20.41 C ATOM 1597 CD GLU A 96 9.142 -2.615 -8.257 1.00 44.31 C ATOM 1598 OE1 GLU A 96 8.265 -1.775 -8.582 1.00 41.22 O ATOM 1599 OE2 GLU A 96 10.319 -2.269 -8.008 1.00 52.30 O ATOM 0 H GLU A 96 6.419 -4.934 -9.573 1.00 52.22 H new ATOM 0 HA GLU A 96 8.403 -3.274 -10.855 1.00 33.43 H new ATOM 0 HB2 GLU A 96 8.646 -5.921 -9.356 1.00 64.03 H new ATOM 0 HB3 GLU A 96 9.981 -4.874 -9.795 1.00 64.03 H new ATOM 0 HG2 GLU A 96 7.729 -4.195 -7.847 1.00 20.41 H new ATOM 0 HG3 GLU A 96 9.381 -4.590 -7.417 1.00 20.41 H new ATOM 1606 N LYS A 97 9.454 -4.749 -12.657 1.00 73.43 N ATOM 1607 CA LYS A 97 9.808 -5.263 -13.991 1.00 35.43 C ATOM 1608 C LYS A 97 10.307 -6.726 -13.903 1.00 4.21 C ATOM 1609 O LYS A 97 11.492 -6.950 -13.600 1.00 10.44 O ATOM 1610 CB LYS A 97 10.879 -4.321 -14.607 1.00 31.32 C ATOM 1611 CG LYS A 97 10.378 -2.873 -14.844 1.00 31.20 C ATOM 1612 CD LYS A 97 11.525 -1.864 -15.041 1.00 0.00 C ATOM 1613 CE LYS A 97 12.491 -2.245 -16.174 1.00 15.22 C ATOM 1614 NZ LYS A 97 13.611 -1.275 -16.267 1.00 2.02 N ATOM 1615 OXT LYS A 97 9.501 -7.651 -14.121 1.00 36.87 O ATOM 0 H LYS A 97 10.147 -4.102 -12.280 1.00 73.43 H new ATOM 0 HA LYS A 97 8.929 -5.275 -14.636 1.00 35.43 H new ATOM 0 HB2 LYS A 97 11.746 -4.292 -13.947 1.00 31.32 H new ATOM 0 HB3 LYS A 97 11.214 -4.739 -15.556 1.00 31.32 H new ATOM 0 HG2 LYS A 97 9.733 -2.857 -15.722 1.00 31.20 H new ATOM 0 HG3 LYS A 97 9.769 -2.562 -13.995 1.00 31.20 H new ATOM 0 HD2 LYS A 97 11.102 -0.882 -15.251 1.00 0.00 H new ATOM 0 HD3 LYS A 97 12.086 -1.778 -14.110 1.00 0.00 H new ATOM 0 HE2 LYS A 97 12.886 -3.246 -15.999 1.00 15.22 H new ATOM 0 HE3 LYS A 97 11.952 -2.276 -17.121 1.00 15.22 H new ATOM 0 HZ1 LYS A 97 14.249 -1.554 -17.039 1.00 2.02 H new ATOM 0 HZ2 LYS A 97 13.233 -0.325 -16.457 1.00 2.02 H new ATOM 0 HZ3 LYS A 97 14.137 -1.265 -15.370 1.00 2.02 H new TER 1629 LYS A 97