USER MOD reduce.3.24.130724 H: found=0, std=0, add=992, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 989 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 105 SER OG : rot -93:sc= 1.2 USER MOD Set 1.2: A 112 THR OG1 : rot 83:sc= 0.987 USER MOD Set 2.1: A 102 HIS : no HD1:sc= 0 X(o=-0.013,f=-0.052) USER MOD Set 2.2: A 103 MET CE :methyl 158:sc= -0.0134 (180deg=-0.0519) USER MOD Set 2.3: A 106 GLN : amide:sc= 0 X(o=-0.013,f=-0.051) USER MOD Set 3.1: A 48 LYS NZ :NH3+ -141:sc= 0.0884 (180deg=-1.09) USER MOD Set 3.2: A 53 TYR OH : rot -140:sc= 0.0593 USER MOD Set 4.1: A 26 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 30 ASN : amide:sc= -1.77 K(o=-1.8,f=-4.3!) USER MOD Set 5.1: A 13 THR OG1 : rot 180:sc= 0.0418 USER MOD Set 5.2: A 17 ASN : amide:sc= -0.106 K(o=-0.064,f=-0.63) USER MOD Single : A 1 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 1 GLN N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 49:sc= 0.0196 USER MOD Single : A 4 ASN : amide:sc= -0.31 X(o=-0.31,f=-0.54) USER MOD Single : A 8 GLN : amide:sc= -1.57 K(o=-1.6,f=-3.2!) USER MOD Single : A 10 LYS NZ :NH3+ 167:sc=-0.00935 (180deg=-0.143) USER MOD Single : A 12 SER OG : rot 180:sc= -0.877 USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 LYS NZ :NH3+ 170:sc= 0.477 (180deg=0.354) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 MET CE :methyl 154:sc= -0.319 (180deg=-1.57!) USER MOD Single : A 25 LYS NZ :NH3+ -151:sc= 0 (180deg=-0.959) USER MOD Single : A 31 CYS SG : rot 75:sc= -0.295 USER MOD Single : A 32 LYS NZ :NH3+ -129:sc= -0.0966 (180deg=-0.484) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=-0.044) USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= -1.24 K(o=-1.2,f=-0.5) USER MOD Single : A 40 SER OG : rot 57:sc= 0.852 USER MOD Single : A 46 ASN : amide:sc= -2.01 K(o=-2,f=-3.8) USER MOD Single : A 50 ASN : amide:sc= -3.62 X(o=-3.6,f=-3.5) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 MET CE :methyl 173:sc= 0 (180deg=-0.0391) USER MOD Single : A 59 GLN : amide:sc= -0.669 K(o=-0.67,f=-5.4!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= -1.5 X(o=-1.5,f=-1.6) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.0483 USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 GLN : amide:sc= -0.18 K(o=-0.18,f=-1) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 81 GLN : amide:sc= -2.57! C(o=-2.6!,f=-3.9!) USER MOD Single : A 83 SER OG : rot -140:sc= -0.733 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 GLN : amide:sc= -0.0848 X(o=-0.085,f=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0.16 USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 GLN : amide:sc= -0.02 X(o=-0.02,f=0) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 1.489 1.097 0.451 1.00 72.25 N ATOM 2 CA GLN A 1 2.060 2.387 0.084 1.00 65.05 C ATOM 3 C GLN A 1 1.922 2.637 -1.415 1.00 4.35 C ATOM 4 O GLN A 1 2.633 2.039 -2.222 1.00 21.31 O ATOM 5 CB GLN A 1 3.534 2.450 0.489 1.00 30.34 C ATOM 6 CG GLN A 1 3.746 2.644 1.982 1.00 1.11 C ATOM 7 CD GLN A 1 4.576 3.873 2.298 1.00 22.44 C ATOM 8 OE1 GLN A 1 4.174 4.999 2.007 1.00 43.41 O ATOM 9 NE2 GLN A 1 5.742 3.661 2.898 1.00 12.45 N ATOM 0 H1 GLN A 1 1.595 0.949 1.475 1.00 72.25 H new ATOM 0 H2 GLN A 1 0.480 1.080 0.201 1.00 72.25 H new ATOM 0 H3 GLN A 1 1.985 0.340 -0.061 1.00 72.25 H new ATOM 0 HA GLN A 1 1.510 3.164 0.616 1.00 65.05 H new ATOM 0 HB2 GLN A 1 4.028 1.530 0.177 1.00 30.34 H new ATOM 0 HB3 GLN A 1 4.015 3.268 -0.047 1.00 30.34 H new ATOM 0 HG2 GLN A 1 2.777 2.728 2.475 1.00 1.11 H new ATOM 0 HG3 GLN A 1 4.238 1.762 2.393 1.00 1.11 H new ATOM 0 HE21 GLN A 1 6.035 2.710 3.121 1.00 12.45 H new ATOM 0 HE22 GLN A 1 6.344 4.449 3.136 1.00 12.45 H new ATOM 18 N SER A 2 1.003 3.525 -1.779 1.00 11.31 N ATOM 19 CA SER A 2 0.769 3.852 -3.181 1.00 34.33 C ATOM 20 C SER A 2 0.298 5.295 -3.331 1.00 42.20 C ATOM 21 O SER A 2 -0.857 5.617 -3.048 1.00 24.01 O ATOM 22 CB SER A 2 -0.268 2.900 -3.781 1.00 40.34 C ATOM 23 OG SER A 2 -1.322 2.651 -2.867 1.00 43.12 O ATOM 0 H SER A 2 0.408 4.031 -1.123 1.00 11.31 H new ATOM 0 HA SER A 2 1.711 3.738 -3.718 1.00 34.33 H new ATOM 0 HB2 SER A 2 -0.672 3.329 -4.698 1.00 40.34 H new ATOM 0 HB3 SER A 2 0.212 1.960 -4.053 1.00 40.34 H new ATOM 0 HG SER A 2 -1.651 3.501 -2.507 1.00 43.12 H new ATOM 29 N LEU A 3 1.201 6.161 -3.778 1.00 52.23 N ATOM 30 CA LEU A 3 0.880 7.572 -3.967 1.00 71.32 C ATOM 31 C LEU A 3 -0.328 7.737 -4.884 1.00 1.51 C ATOM 32 O LEU A 3 -0.860 6.760 -5.409 1.00 5.21 O ATOM 33 CB LEU A 3 2.083 8.315 -4.550 1.00 50.13 C ATOM 34 CG LEU A 3 3.345 8.330 -3.688 1.00 25.52 C ATOM 35 CD1 LEU A 3 4.587 8.210 -4.557 1.00 44.44 C ATOM 36 CD2 LEU A 3 3.401 9.596 -2.845 1.00 65.34 C ATOM 0 H LEU A 3 2.161 5.911 -4.016 1.00 52.23 H new ATOM 0 HA LEU A 3 0.635 7.998 -2.994 1.00 71.32 H new ATOM 0 HB2 LEU A 3 2.330 7.867 -5.512 1.00 50.13 H new ATOM 0 HB3 LEU A 3 1.788 9.346 -4.745 1.00 50.13 H new ATOM 0 HG LEU A 3 3.313 7.472 -3.016 1.00 25.52 H new ATOM 0 HD11 LEU A 3 5.475 8.223 -3.926 1.00 44.44 H new ATOM 0 HD12 LEU A 3 4.552 7.274 -5.115 1.00 44.44 H new ATOM 0 HD13 LEU A 3 4.626 9.047 -5.254 1.00 44.44 H new ATOM 0 HD21 LEU A 3 4.306 9.589 -2.238 1.00 65.34 H new ATOM 0 HD22 LEU A 3 3.409 10.468 -3.499 1.00 65.34 H new ATOM 0 HD23 LEU A 3 2.528 9.639 -2.194 1.00 65.34 H new ATOM 48 N ASN A 4 -0.754 8.982 -5.073 1.00 73.01 N ATOM 49 CA ASN A 4 -1.899 9.276 -5.928 1.00 45.12 C ATOM 50 C ASN A 4 -1.637 8.824 -7.362 1.00 20.24 C ATOM 51 O ASN A 4 -0.494 8.673 -7.793 1.00 5.35 O ATOM 52 CB ASN A 4 -2.209 10.774 -5.903 1.00 2.21 C ATOM 53 CG ASN A 4 -0.957 11.625 -5.986 1.00 44.54 C ATOM 54 OD1 ASN A 4 -0.285 11.661 -7.017 1.00 43.43 O ATOM 55 ND2 ASN A 4 -0.637 12.316 -4.898 1.00 31.10 N ATOM 0 H ASN A 4 -0.324 9.803 -4.646 1.00 73.01 H new ATOM 0 HA ASN A 4 -2.759 8.727 -5.544 1.00 45.12 H new ATOM 0 HB2 ASN A 4 -2.868 11.020 -6.736 1.00 2.21 H new ATOM 0 HB3 ASN A 4 -2.749 11.015 -4.987 1.00 2.21 H new ATOM 0 HD21 ASN A 4 0.195 12.906 -4.895 1.00 31.10 H new ATOM 0 HD22 ASN A 4 -1.223 12.256 -4.065 1.00 31.10 H new ATOM 62 N PRO A 5 -2.721 8.602 -8.119 1.00 53.03 N ATOM 63 CA PRO A 5 -2.635 8.165 -9.516 1.00 33.01 C ATOM 64 C PRO A 5 -2.097 9.258 -10.433 1.00 71.31 C ATOM 65 O PRO A 5 -1.471 8.972 -11.453 1.00 50.13 O ATOM 66 CB PRO A 5 -4.086 7.833 -9.874 1.00 31.04 C ATOM 67 CG PRO A 5 -4.905 8.664 -8.947 1.00 45.31 C ATOM 68 CD PRO A 5 -4.115 8.761 -7.671 1.00 41.40 C ATOM 0 HA PRO A 5 -1.949 7.327 -9.639 1.00 33.01 H new ATOM 0 HB2 PRO A 5 -4.301 8.072 -10.915 1.00 31.04 H new ATOM 0 HB3 PRO A 5 -4.293 6.771 -9.742 1.00 31.04 H new ATOM 0 HG2 PRO A 5 -5.089 9.652 -9.368 1.00 45.31 H new ATOM 0 HG3 PRO A 5 -5.878 8.207 -8.770 1.00 45.31 H new ATOM 0 HD2 PRO A 5 -4.270 9.719 -7.174 1.00 41.40 H new ATOM 0 HD3 PRO A 5 -4.400 7.984 -6.962 1.00 41.40 H new ATOM 76 N ALA A 6 -2.345 10.510 -10.063 1.00 21.21 N ATOM 77 CA ALA A 6 -1.883 11.645 -10.851 1.00 42.35 C ATOM 78 C ALA A 6 -2.296 11.504 -12.312 1.00 61.55 C ATOM 79 O ALA A 6 -1.625 12.015 -13.210 1.00 73.55 O ATOM 80 CB ALA A 6 -0.372 11.786 -10.740 1.00 21.45 C ATOM 0 H ALA A 6 -2.864 10.764 -9.222 1.00 21.21 H new ATOM 0 HA ALA A 6 -2.351 12.545 -10.453 1.00 42.35 H new ATOM 0 HB1 ALA A 6 -0.041 12.638 -11.334 1.00 21.45 H new ATOM 0 HB2 ALA A 6 -0.097 11.942 -9.697 1.00 21.45 H new ATOM 0 HB3 ALA A 6 0.106 10.879 -11.109 1.00 21.45 H new ATOM 86 N LEU A 7 -3.403 10.807 -12.544 1.00 62.43 N ATOM 87 CA LEU A 7 -3.905 10.597 -13.898 1.00 35.23 C ATOM 88 C LEU A 7 -5.132 11.464 -14.164 1.00 4.33 C ATOM 89 O LEU A 7 -5.379 11.874 -15.298 1.00 31.44 O ATOM 90 CB LEU A 7 -4.254 9.123 -14.111 1.00 23.42 C ATOM 91 CG LEU A 7 -3.821 8.517 -15.447 1.00 12.14 C ATOM 92 CD1 LEU A 7 -2.304 8.458 -15.540 1.00 14.51 C ATOM 93 CD2 LEU A 7 -4.422 7.130 -15.623 1.00 12.20 C ATOM 0 H LEU A 7 -3.970 10.378 -11.813 1.00 62.43 H new ATOM 0 HA LEU A 7 -3.120 10.884 -14.598 1.00 35.23 H new ATOM 0 HB2 LEU A 7 -3.800 8.543 -13.308 1.00 23.42 H new ATOM 0 HB3 LEU A 7 -5.334 9.009 -14.016 1.00 23.42 H new ATOM 0 HG LEU A 7 -4.189 9.156 -16.250 1.00 12.14 H new ATOM 0 HD11 LEU A 7 -2.015 8.024 -16.497 1.00 14.51 H new ATOM 0 HD12 LEU A 7 -1.895 9.465 -15.460 1.00 14.51 H new ATOM 0 HD13 LEU A 7 -1.913 7.842 -14.730 1.00 14.51 H new ATOM 0 HD21 LEU A 7 -4.103 6.714 -16.579 1.00 12.20 H new ATOM 0 HD22 LEU A 7 -4.084 6.482 -14.814 1.00 12.20 H new ATOM 0 HD23 LEU A 7 -5.510 7.199 -15.602 1.00 12.20 H new ATOM 105 N GLN A 8 -5.893 11.742 -13.111 1.00 35.24 N ATOM 106 CA GLN A 8 -7.093 12.562 -13.231 1.00 42.31 C ATOM 107 C GLN A 8 -7.452 13.201 -11.894 1.00 0.14 C ATOM 108 O GLN A 8 -8.566 13.038 -11.397 1.00 41.01 O ATOM 109 CB GLN A 8 -8.264 11.719 -13.738 1.00 12.20 C ATOM 110 CG GLN A 8 -8.249 11.499 -15.242 1.00 55.10 C ATOM 111 CD GLN A 8 -7.626 10.173 -15.632 1.00 13.23 C ATOM 112 OE1 GLN A 8 -7.701 9.196 -14.886 1.00 42.11 O ATOM 113 NE2 GLN A 8 -7.007 10.132 -16.806 1.00 2.24 N ATOM 0 H GLN A 8 -5.700 11.412 -12.165 1.00 35.24 H new ATOM 0 HA GLN A 8 -6.889 13.356 -13.949 1.00 42.31 H new ATOM 0 HB2 GLN A 8 -8.247 10.751 -13.237 1.00 12.20 H new ATOM 0 HB3 GLN A 8 -9.199 12.206 -13.460 1.00 12.20 H new ATOM 0 HG2 GLN A 8 -9.270 11.542 -15.622 1.00 55.10 H new ATOM 0 HG3 GLN A 8 -7.697 12.309 -15.718 1.00 55.10 H new ATOM 0 HE21 GLN A 8 -6.969 10.966 -17.392 1.00 2.24 H new ATOM 0 HE22 GLN A 8 -6.569 9.266 -17.122 1.00 2.24 H new ATOM 122 N GLU A 9 -6.501 13.928 -11.316 1.00 45.11 N ATOM 123 CA GLU A 9 -6.718 14.590 -10.035 1.00 44.11 C ATOM 124 C GLU A 9 -6.437 16.086 -10.141 1.00 50.35 C ATOM 125 O GLU A 9 -5.521 16.605 -9.502 1.00 55.34 O ATOM 126 CB GLU A 9 -5.827 13.968 -8.957 1.00 51.52 C ATOM 127 CG GLU A 9 -4.397 13.731 -9.412 1.00 21.41 C ATOM 128 CD GLU A 9 -3.376 14.182 -8.386 1.00 2.03 C ATOM 129 OE1 GLU A 9 -3.070 15.392 -8.347 1.00 12.44 O ATOM 130 OE2 GLU A 9 -2.882 13.326 -7.623 1.00 33.15 O ATOM 0 H GLU A 9 -5.573 14.073 -11.714 1.00 45.11 H new ATOM 0 HA GLU A 9 -7.763 14.453 -9.757 1.00 44.11 H new ATOM 0 HB2 GLU A 9 -5.818 14.620 -8.084 1.00 51.52 H new ATOM 0 HB3 GLU A 9 -6.261 13.019 -8.642 1.00 51.52 H new ATOM 0 HG2 GLU A 9 -4.256 12.670 -9.617 1.00 21.41 H new ATOM 0 HG3 GLU A 9 -4.225 14.262 -10.348 1.00 21.41 H new ATOM 137 N LYS A 10 -7.231 16.775 -10.954 1.00 74.21 N ATOM 138 CA LYS A 10 -7.071 18.211 -11.146 1.00 11.45 C ATOM 139 C LYS A 10 -7.666 18.986 -9.974 1.00 52.11 C ATOM 140 O LYS A 10 -8.601 19.769 -10.147 1.00 21.14 O ATOM 141 CB LYS A 10 -7.737 18.650 -12.452 1.00 1.13 C ATOM 142 CG LYS A 10 -6.853 18.474 -13.674 1.00 62.12 C ATOM 143 CD LYS A 10 -7.676 18.368 -14.947 1.00 42.00 C ATOM 144 CE LYS A 10 -8.292 19.706 -15.325 1.00 50.23 C ATOM 145 NZ LYS A 10 -7.265 20.677 -15.795 1.00 60.34 N ATOM 0 H LYS A 10 -7.993 16.361 -11.491 1.00 74.21 H new ATOM 0 HA LYS A 10 -6.004 18.428 -11.199 1.00 11.45 H new ATOM 0 HB2 LYS A 10 -8.655 18.078 -12.592 1.00 1.13 H new ATOM 0 HB3 LYS A 10 -8.024 19.698 -12.369 1.00 1.13 H new ATOM 0 HG2 LYS A 10 -6.167 19.317 -13.752 1.00 62.12 H new ATOM 0 HG3 LYS A 10 -6.244 17.577 -13.558 1.00 62.12 H new ATOM 0 HD2 LYS A 10 -7.044 18.014 -15.762 1.00 42.00 H new ATOM 0 HD3 LYS A 10 -8.465 17.628 -14.811 1.00 42.00 H new ATOM 0 HE2 LYS A 10 -9.035 19.555 -16.108 1.00 50.23 H new ATOM 0 HE3 LYS A 10 -8.816 20.120 -14.464 1.00 50.23 H new ATOM 0 HZ1 LYS A 10 -7.735 21.488 -16.246 1.00 60.34 H new ATOM 0 HZ2 LYS A 10 -6.704 21.009 -14.984 1.00 60.34 H new ATOM 0 HZ3 LYS A 10 -6.638 20.213 -16.483 1.00 60.34 H new ATOM 159 N ILE A 11 -7.118 18.764 -8.784 1.00 71.12 N ATOM 160 CA ILE A 11 -7.594 19.444 -7.586 1.00 23.43 C ATOM 161 C ILE A 11 -7.656 20.952 -7.797 1.00 43.44 C ATOM 162 O ILE A 11 -6.721 21.554 -8.325 1.00 41.45 O ATOM 163 CB ILE A 11 -6.693 19.143 -6.373 1.00 41.22 C ATOM 164 CG1 ILE A 11 -7.207 19.879 -5.134 1.00 22.42 C ATOM 165 CG2 ILE A 11 -5.254 19.538 -6.671 1.00 52.05 C ATOM 166 CD1 ILE A 11 -8.615 19.491 -4.742 1.00 34.21 C ATOM 0 H ILE A 11 -6.344 18.119 -8.624 1.00 71.12 H new ATOM 0 HA ILE A 11 -8.597 19.067 -7.387 1.00 23.43 H new ATOM 0 HB ILE A 11 -6.722 18.072 -6.175 1.00 41.22 H new ATOM 0 HG12 ILE A 11 -6.537 19.678 -4.298 1.00 22.42 H new ATOM 0 HG13 ILE A 11 -7.173 20.953 -5.319 1.00 22.42 H new ATOM 0 HG21 ILE A 11 -4.630 19.319 -5.805 1.00 52.05 H new ATOM 0 HG22 ILE A 11 -4.892 18.974 -7.531 1.00 52.05 H new ATOM 0 HG23 ILE A 11 -5.208 20.604 -6.892 1.00 52.05 H new ATOM 0 HD11 ILE A 11 -8.914 20.052 -3.856 1.00 34.21 H new ATOM 0 HD12 ILE A 11 -9.297 19.718 -5.562 1.00 34.21 H new ATOM 0 HD13 ILE A 11 -8.651 18.423 -4.525 1.00 34.21 H new ATOM 178 N SER A 12 -8.763 21.558 -7.380 1.00 1.00 N ATOM 179 CA SER A 12 -8.948 22.997 -7.525 1.00 52.14 C ATOM 180 C SER A 12 -9.043 23.387 -8.997 1.00 61.45 C ATOM 181 O SER A 12 -8.132 23.120 -9.783 1.00 14.31 O ATOM 182 CB SER A 12 -7.795 23.751 -6.860 1.00 14.02 C ATOM 183 OG SER A 12 -7.496 23.205 -5.587 1.00 33.21 O ATOM 0 H SER A 12 -9.545 21.075 -6.939 1.00 1.00 H new ATOM 0 HA SER A 12 -9.882 23.269 -7.033 1.00 52.14 H new ATOM 0 HB2 SER A 12 -6.911 23.704 -7.496 1.00 14.02 H new ATOM 0 HB3 SER A 12 -8.057 24.804 -6.755 1.00 14.02 H new ATOM 0 HG SER A 12 -6.755 23.703 -5.183 1.00 33.21 H new ATOM 189 N THR A 13 -10.153 24.020 -9.366 1.00 24.44 N ATOM 190 CA THR A 13 -10.369 24.445 -10.743 1.00 3.45 C ATOM 191 C THR A 13 -9.972 25.904 -10.936 1.00 3.44 C ATOM 192 O THR A 13 -8.936 26.201 -11.531 1.00 13.34 O ATOM 193 CB THR A 13 -11.840 24.266 -11.162 1.00 20.32 C ATOM 194 OG1 THR A 13 -12.677 24.213 -10.001 1.00 71.22 O ATOM 195 CG2 THR A 13 -12.018 22.996 -11.980 1.00 73.12 C ATOM 0 H THR A 13 -10.916 24.249 -8.729 1.00 24.44 H new ATOM 0 HA THR A 13 -9.741 23.814 -11.371 1.00 3.45 H new ATOM 0 HB THR A 13 -12.126 25.119 -11.777 1.00 20.32 H new ATOM 0 HG1 THR A 13 -13.611 24.101 -10.276 1.00 71.22 H new ATOM 0 HG21 THR A 13 -13.065 22.890 -12.265 1.00 73.12 H new ATOM 0 HG22 THR A 13 -11.402 23.052 -12.877 1.00 73.12 H new ATOM 0 HG23 THR A 13 -11.715 22.134 -11.385 1.00 73.12 H new ATOM 203 N GLU A 14 -10.801 26.811 -10.428 1.00 72.12 N ATOM 204 CA GLU A 14 -10.535 28.240 -10.546 1.00 20.31 C ATOM 205 C GLU A 14 -9.975 28.798 -9.241 1.00 13.22 C ATOM 206 O GLU A 14 -9.819 30.010 -9.087 1.00 54.41 O ATOM 207 CB GLU A 14 -11.813 28.989 -10.928 1.00 10.42 C ATOM 208 CG GLU A 14 -12.337 28.635 -12.309 1.00 43.24 C ATOM 209 CD GLU A 14 -13.394 29.605 -12.799 1.00 13.52 C ATOM 210 OE1 GLU A 14 -14.120 30.168 -11.952 1.00 61.10 O ATOM 211 OE2 GLU A 14 -13.497 29.802 -14.028 1.00 3.24 O ATOM 0 H GLU A 14 -11.662 26.582 -9.931 1.00 72.12 H new ATOM 0 HA GLU A 14 -9.792 28.382 -11.330 1.00 20.31 H new ATOM 0 HB2 GLU A 14 -12.585 28.773 -10.189 1.00 10.42 H new ATOM 0 HB3 GLU A 14 -11.622 30.061 -10.885 1.00 10.42 H new ATOM 0 HG2 GLU A 14 -11.507 28.621 -13.016 1.00 43.24 H new ATOM 0 HG3 GLU A 14 -12.755 27.629 -12.288 1.00 43.24 H new ATOM 218 N LEU A 15 -9.675 27.906 -8.303 1.00 54.31 N ATOM 219 CA LEU A 15 -9.133 28.309 -7.010 1.00 33.31 C ATOM 220 C LEU A 15 -10.241 28.803 -6.085 1.00 41.32 C ATOM 221 O LEU A 15 -10.022 29.008 -4.892 1.00 63.51 O ATOM 222 CB LEU A 15 -8.080 29.403 -7.194 1.00 55.02 C ATOM 223 CG LEU A 15 -6.864 29.327 -6.271 1.00 32.34 C ATOM 224 CD1 LEU A 15 -5.590 29.140 -7.080 1.00 33.31 C ATOM 225 CD2 LEU A 15 -6.771 30.576 -5.407 1.00 51.31 C ATOM 0 H LEU A 15 -9.798 26.899 -8.414 1.00 54.31 H new ATOM 0 HA LEU A 15 -8.665 27.437 -6.553 1.00 33.31 H new ATOM 0 HB2 LEU A 15 -7.730 29.373 -8.226 1.00 55.02 H new ATOM 0 HB3 LEU A 15 -8.561 30.370 -7.049 1.00 55.02 H new ATOM 0 HG LEU A 15 -6.983 28.464 -5.616 1.00 32.34 H new ATOM 0 HD11 LEU A 15 -4.735 29.088 -6.406 1.00 33.31 H new ATOM 0 HD12 LEU A 15 -5.656 28.216 -7.654 1.00 33.31 H new ATOM 0 HD13 LEU A 15 -5.464 29.982 -7.761 1.00 33.31 H new ATOM 0 HD21 LEU A 15 -5.899 30.504 -4.756 1.00 51.31 H new ATOM 0 HD22 LEU A 15 -6.676 31.454 -6.046 1.00 51.31 H new ATOM 0 HD23 LEU A 15 -7.671 30.666 -4.799 1.00 51.31 H new ATOM 237 N ASN A 16 -11.432 28.992 -6.645 1.00 23.23 N ATOM 238 CA ASN A 16 -12.575 29.461 -5.870 1.00 23.22 C ATOM 239 C ASN A 16 -13.441 28.290 -5.416 1.00 14.11 C ATOM 240 O ASN A 16 -13.862 28.227 -4.262 1.00 14.43 O ATOM 241 CB ASN A 16 -13.411 30.439 -6.697 1.00 74.20 C ATOM 242 CG ASN A 16 -13.257 31.872 -6.227 1.00 52.54 C ATOM 243 OD1 ASN A 16 -12.329 32.573 -6.631 1.00 23.02 O ATOM 244 ND2 ASN A 16 -14.169 32.315 -5.370 1.00 55.41 N ATOM 0 H ASN A 16 -11.630 28.828 -7.632 1.00 23.23 H new ATOM 0 HA ASN A 16 -12.198 29.974 -4.986 1.00 23.22 H new ATOM 0 HB2 ASN A 16 -13.116 30.369 -7.744 1.00 74.20 H new ATOM 0 HB3 ASN A 16 -14.461 30.152 -6.642 1.00 74.20 H new ATOM 0 HD21 ASN A 16 -14.117 33.272 -5.020 1.00 55.41 H new ATOM 0 HD22 ASN A 16 -14.921 31.699 -5.062 1.00 55.41 H new ATOM 251 N ASN A 17 -13.703 27.364 -6.333 1.00 12.31 N ATOM 252 CA ASN A 17 -14.520 26.195 -6.027 1.00 43.22 C ATOM 253 C ASN A 17 -13.723 25.169 -5.228 1.00 4.15 C ATOM 254 O ASN A 17 -14.293 24.305 -4.561 1.00 52.21 O ATOM 255 CB ASN A 17 -15.041 25.560 -7.318 1.00 22.43 C ATOM 256 CG ASN A 17 -15.571 26.590 -8.296 1.00 62.34 C ATOM 257 OD1 ASN A 17 -16.027 27.662 -7.900 1.00 1.24 O ATOM 258 ND2 ASN A 17 -15.513 26.267 -9.583 1.00 52.33 N ATOM 0 H ASN A 17 -13.362 27.400 -7.293 1.00 12.31 H new ATOM 0 HA ASN A 17 -15.367 26.522 -5.423 1.00 43.22 H new ATOM 0 HB2 ASN A 17 -14.239 24.994 -7.791 1.00 22.43 H new ATOM 0 HB3 ASN A 17 -15.833 24.851 -7.077 1.00 22.43 H new ATOM 0 HD21 ASN A 17 -15.855 26.920 -10.288 1.00 52.33 H new ATOM 0 HD22 ASN A 17 -15.127 25.366 -9.866 1.00 52.33 H new ATOM 265 N LYS A 18 -12.400 25.270 -5.298 1.00 44.31 N ATOM 266 CA LYS A 18 -11.522 24.353 -4.580 1.00 53.41 C ATOM 267 C LYS A 18 -11.902 24.281 -3.104 1.00 62.55 C ATOM 268 O LYS A 18 -11.806 23.223 -2.482 1.00 4.52 O ATOM 269 CB LYS A 18 -10.064 24.795 -4.721 1.00 62.33 C ATOM 270 CG LYS A 18 -9.749 26.094 -4.000 1.00 23.54 C ATOM 271 CD LYS A 18 -9.169 25.838 -2.619 1.00 24.43 C ATOM 272 CE LYS A 18 -8.556 27.099 -2.029 1.00 62.32 C ATOM 273 NZ LYS A 18 -9.535 28.219 -1.978 1.00 1.51 N ATOM 0 H LYS A 18 -11.912 25.979 -5.845 1.00 44.31 H new ATOM 0 HA LYS A 18 -11.638 23.361 -5.016 1.00 53.41 H new ATOM 0 HB2 LYS A 18 -9.416 24.008 -4.334 1.00 62.33 H new ATOM 0 HB3 LYS A 18 -9.829 24.910 -5.779 1.00 62.33 H new ATOM 0 HG2 LYS A 18 -9.042 26.677 -4.590 1.00 23.54 H new ATOM 0 HG3 LYS A 18 -10.657 26.691 -3.910 1.00 23.54 H new ATOM 0 HD2 LYS A 18 -9.952 25.469 -1.957 1.00 24.43 H new ATOM 0 HD3 LYS A 18 -8.410 25.058 -2.681 1.00 24.43 H new ATOM 0 HE2 LYS A 18 -8.191 26.889 -1.024 1.00 62.32 H new ATOM 0 HE3 LYS A 18 -7.694 27.397 -2.625 1.00 62.32 H new ATOM 0 HZ1 LYS A 18 -9.138 29.002 -1.420 1.00 1.51 H new ATOM 0 HZ2 LYS A 18 -9.736 28.549 -2.944 1.00 1.51 H new ATOM 0 HZ3 LYS A 18 -10.416 27.890 -1.534 1.00 1.51 H new ATOM 287 N GLN A 19 -12.334 25.410 -2.553 1.00 30.22 N ATOM 288 CA GLN A 19 -12.729 25.472 -1.151 1.00 4.35 C ATOM 289 C GLN A 19 -13.896 24.532 -0.871 1.00 70.41 C ATOM 290 O GLN A 19 -13.890 23.794 0.115 1.00 63.13 O ATOM 291 CB GLN A 19 -13.109 26.904 -0.769 1.00 72.12 C ATOM 292 CG GLN A 19 -12.642 27.308 0.620 1.00 42.33 C ATOM 293 CD GLN A 19 -13.668 28.143 1.361 1.00 64.03 C ATOM 294 OE1 GLN A 19 -14.813 27.727 1.538 1.00 62.41 O ATOM 295 NE2 GLN A 19 -13.262 29.329 1.799 1.00 65.13 N ATOM 0 H GLN A 19 -12.419 26.294 -3.055 1.00 30.22 H new ATOM 0 HA GLN A 19 -11.879 25.155 -0.547 1.00 4.35 H new ATOM 0 HB2 GLN A 19 -12.684 27.591 -1.500 1.00 72.12 H new ATOM 0 HB3 GLN A 19 -14.192 27.010 -0.824 1.00 72.12 H new ATOM 0 HG2 GLN A 19 -12.421 26.412 1.200 1.00 42.33 H new ATOM 0 HG3 GLN A 19 -11.712 27.871 0.537 1.00 42.33 H new ATOM 0 HE21 GLN A 19 -12.304 29.634 1.630 1.00 65.13 H new ATOM 0 HE22 GLN A 19 -13.909 29.935 2.304 1.00 65.13 H new ATOM 304 N TYR A 20 -14.897 24.563 -1.744 1.00 65.03 N ATOM 305 CA TYR A 20 -16.073 23.715 -1.590 1.00 4.11 C ATOM 306 C TYR A 20 -15.728 22.252 -1.854 1.00 11.42 C ATOM 307 O TYR A 20 -16.204 21.357 -1.157 1.00 61.42 O ATOM 308 CB TYR A 20 -17.182 24.169 -2.540 1.00 34.42 C ATOM 309 CG TYR A 20 -17.945 25.378 -2.047 1.00 22.31 C ATOM 310 CD1 TYR A 20 -17.392 26.650 -2.121 1.00 50.13 C ATOM 311 CD2 TYR A 20 -19.219 25.247 -1.508 1.00 2.45 C ATOM 312 CE1 TYR A 20 -18.085 27.757 -1.671 1.00 42.34 C ATOM 313 CE2 TYR A 20 -19.920 26.349 -1.056 1.00 44.35 C ATOM 314 CZ TYR A 20 -19.348 27.602 -1.140 1.00 72.10 C ATOM 315 OH TYR A 20 -20.042 28.702 -0.692 1.00 51.51 O ATOM 0 H TYR A 20 -14.917 25.167 -2.566 1.00 65.03 H new ATOM 0 HA TYR A 20 -16.424 23.807 -0.562 1.00 4.11 H new ATOM 0 HB2 TYR A 20 -16.745 24.397 -3.512 1.00 34.42 H new ATOM 0 HB3 TYR A 20 -17.880 23.345 -2.690 1.00 34.42 H new ATOM 0 HD1 TYR A 20 -16.403 26.776 -2.537 1.00 50.13 H new ATOM 0 HD2 TYR A 20 -19.669 24.268 -1.441 1.00 2.45 H new ATOM 0 HE1 TYR A 20 -17.640 28.739 -1.735 1.00 42.34 H new ATOM 0 HE2 TYR A 20 -20.909 26.230 -0.640 1.00 44.35 H new ATOM 0 HH TYR A 20 -20.916 28.420 -0.349 1.00 51.51 H new ATOM 325 N GLU A 21 -14.897 22.020 -2.865 1.00 1.11 N ATOM 326 CA GLU A 21 -14.488 20.666 -3.221 1.00 53.54 C ATOM 327 C GLU A 21 -13.688 20.024 -2.092 1.00 0.51 C ATOM 328 O GLU A 21 -13.925 18.873 -1.724 1.00 12.10 O ATOM 329 CB GLU A 21 -13.656 20.683 -4.506 1.00 34.55 C ATOM 330 CG GLU A 21 -14.355 21.357 -5.675 1.00 24.24 C ATOM 331 CD GLU A 21 -13.384 21.833 -6.738 1.00 21.12 C ATOM 332 OE1 GLU A 21 -12.160 21.702 -6.526 1.00 53.04 O ATOM 333 OE2 GLU A 21 -13.849 22.337 -7.782 1.00 22.51 O ATOM 0 H GLU A 21 -14.494 22.751 -3.451 1.00 1.11 H new ATOM 0 HA GLU A 21 -15.388 20.073 -3.387 1.00 53.54 H new ATOM 0 HB2 GLU A 21 -12.714 21.196 -4.312 1.00 34.55 H new ATOM 0 HB3 GLU A 21 -13.410 19.658 -4.783 1.00 34.55 H new ATOM 0 HG2 GLU A 21 -15.064 20.659 -6.121 1.00 24.24 H new ATOM 0 HG3 GLU A 21 -14.932 22.206 -5.308 1.00 24.24 H new ATOM 340 N LEU A 22 -12.739 20.777 -1.546 1.00 23.41 N ATOM 341 CA LEU A 22 -11.902 20.282 -0.458 1.00 42.02 C ATOM 342 C LEU A 22 -12.728 20.049 0.802 1.00 14.44 C ATOM 343 O LEU A 22 -12.444 19.143 1.586 1.00 43.04 O ATOM 344 CB LEU A 22 -10.773 21.272 -0.166 1.00 50.32 C ATOM 345 CG LEU A 22 -9.526 20.691 0.501 1.00 41.02 C ATOM 346 CD1 LEU A 22 -8.333 21.611 0.295 1.00 64.10 C ATOM 347 CD2 LEU A 22 -9.773 20.459 1.984 1.00 15.33 C ATOM 0 H LEU A 22 -12.530 21.732 -1.838 1.00 23.41 H new ATOM 0 HA LEU A 22 -11.471 19.330 -0.768 1.00 42.02 H new ATOM 0 HB2 LEU A 22 -10.474 21.739 -1.105 1.00 50.32 H new ATOM 0 HB3 LEU A 22 -11.167 22.063 0.472 1.00 50.32 H new ATOM 0 HG LEU A 22 -9.303 19.731 0.036 1.00 41.02 H new ATOM 0 HD11 LEU A 22 -7.455 21.181 0.777 1.00 64.10 H new ATOM 0 HD12 LEU A 22 -8.142 21.726 -0.772 1.00 64.10 H new ATOM 0 HD13 LEU A 22 -8.546 22.586 0.733 1.00 64.10 H new ATOM 0 HD21 LEU A 22 -8.875 20.045 2.442 1.00 15.33 H new ATOM 0 HD22 LEU A 22 -10.022 21.405 2.464 1.00 15.33 H new ATOM 0 HD23 LEU A 22 -10.600 19.760 2.110 1.00 15.33 H new ATOM 359 N PHE A 23 -13.754 20.873 0.991 1.00 34.52 N ATOM 360 CA PHE A 23 -14.624 20.756 2.156 1.00 22.21 C ATOM 361 C PHE A 23 -15.261 19.371 2.223 1.00 53.15 C ATOM 362 O PHE A 23 -15.222 18.707 3.258 1.00 14.41 O ATOM 363 CB PHE A 23 -15.713 21.830 2.116 1.00 70.34 C ATOM 364 CG PHE A 23 -15.551 22.888 3.169 1.00 33.45 C ATOM 365 CD1 PHE A 23 -14.399 23.655 3.228 1.00 20.14 C ATOM 366 CD2 PHE A 23 -16.552 23.115 4.101 1.00 44.33 C ATOM 367 CE1 PHE A 23 -14.247 24.628 4.198 1.00 54.44 C ATOM 368 CE2 PHE A 23 -16.406 24.088 5.072 1.00 22.20 C ATOM 369 CZ PHE A 23 -15.252 24.846 5.120 1.00 55.02 C ATOM 0 H PHE A 23 -14.003 21.629 0.353 1.00 34.52 H new ATOM 0 HA PHE A 23 -14.015 20.899 3.049 1.00 22.21 H new ATOM 0 HB2 PHE A 23 -15.710 22.303 1.134 1.00 70.34 H new ATOM 0 HB3 PHE A 23 -16.686 21.354 2.237 1.00 70.34 H new ATOM 0 HD1 PHE A 23 -13.611 23.491 2.508 1.00 20.14 H new ATOM 0 HD2 PHE A 23 -17.456 22.525 4.068 1.00 44.33 H new ATOM 0 HE1 PHE A 23 -13.343 25.217 4.235 1.00 54.44 H new ATOM 0 HE2 PHE A 23 -17.193 24.255 5.792 1.00 22.20 H new ATOM 0 HZ PHE A 23 -15.136 25.608 5.877 1.00 55.02 H new ATOM 379 N MET A 24 -15.848 18.942 1.110 1.00 51.52 N ATOM 380 CA MET A 24 -16.494 17.637 1.041 1.00 63.40 C ATOM 381 C MET A 24 -15.458 16.525 0.908 1.00 31.52 C ATOM 382 O MET A 24 -15.638 15.428 1.438 1.00 72.32 O ATOM 383 CB MET A 24 -17.467 17.587 -0.138 1.00 70.43 C ATOM 384 CG MET A 24 -18.920 17.430 0.279 1.00 12.33 C ATOM 385 SD MET A 24 -19.599 18.933 1.009 1.00 42.23 S ATOM 386 CE MET A 24 -20.270 18.293 2.541 1.00 62.11 C ATOM 0 H MET A 24 -15.889 19.479 0.244 1.00 51.52 H new ATOM 0 HA MET A 24 -17.049 17.484 1.967 1.00 63.40 H new ATOM 0 HB2 MET A 24 -17.362 18.500 -0.724 1.00 70.43 H new ATOM 0 HB3 MET A 24 -17.193 16.757 -0.790 1.00 70.43 H new ATOM 0 HG2 MET A 24 -19.516 17.152 -0.591 1.00 12.33 H new ATOM 0 HG3 MET A 24 -19.002 16.613 0.996 1.00 12.33 H new ATOM 0 HE1 MET A 24 -20.300 19.089 3.285 1.00 62.11 H new ATOM 0 HE2 MET A 24 -21.279 17.919 2.368 1.00 62.11 H new ATOM 0 HE3 MET A 24 -19.639 17.481 2.903 1.00 62.11 H new ATOM 396 N LYS A 25 -14.373 16.814 0.198 1.00 54.14 N ATOM 397 CA LYS A 25 -13.308 15.840 -0.004 1.00 62.55 C ATOM 398 C LYS A 25 -12.645 15.475 1.320 1.00 35.13 C ATOM 399 O LYS A 25 -12.307 14.315 1.557 1.00 2.53 O ATOM 400 CB LYS A 25 -12.261 16.391 -0.975 1.00 53.32 C ATOM 401 CG LYS A 25 -11.010 15.536 -1.072 1.00 31.34 C ATOM 402 CD LYS A 25 -9.963 16.177 -1.967 1.00 12.54 C ATOM 403 CE LYS A 25 -8.905 16.907 -1.153 1.00 35.14 C ATOM 404 NZ LYS A 25 -7.924 17.611 -2.023 1.00 42.31 N ATOM 0 H LYS A 25 -14.208 17.717 -0.248 1.00 54.14 H new ATOM 0 HA LYS A 25 -13.751 14.939 -0.429 1.00 62.55 H new ATOM 0 HB2 LYS A 25 -12.708 16.480 -1.965 1.00 53.32 H new ATOM 0 HB3 LYS A 25 -11.980 17.396 -0.661 1.00 53.32 H new ATOM 0 HG2 LYS A 25 -10.594 15.384 -0.076 1.00 31.34 H new ATOM 0 HG3 LYS A 25 -11.270 14.552 -1.462 1.00 31.34 H new ATOM 0 HD2 LYS A 25 -9.488 15.411 -2.579 1.00 12.54 H new ATOM 0 HD3 LYS A 25 -10.445 16.877 -2.650 1.00 12.54 H new ATOM 0 HE2 LYS A 25 -9.388 17.628 -0.493 1.00 35.14 H new ATOM 0 HE3 LYS A 25 -8.380 16.194 -0.517 1.00 35.14 H new ATOM 0 HZ1 LYS A 25 -7.006 17.667 -1.537 1.00 42.31 H new ATOM 0 HZ2 LYS A 25 -7.812 17.087 -2.915 1.00 42.31 H new ATOM 0 HZ3 LYS A 25 -8.267 18.572 -2.226 1.00 42.31 H new ATOM 418 N SER A 26 -12.465 16.472 2.181 1.00 71.13 N ATOM 419 CA SER A 26 -11.841 16.256 3.481 1.00 72.01 C ATOM 420 C SER A 26 -12.770 15.476 4.406 1.00 11.14 C ATOM 421 O SER A 26 -12.319 14.678 5.229 1.00 33.30 O ATOM 422 CB SER A 26 -11.471 17.595 4.121 1.00 13.24 C ATOM 423 OG SER A 26 -11.139 17.432 5.489 1.00 25.21 O ATOM 0 H SER A 26 -12.743 17.437 2.002 1.00 71.13 H new ATOM 0 HA SER A 26 -10.934 15.671 3.329 1.00 72.01 H new ATOM 0 HB2 SER A 26 -10.628 18.035 3.589 1.00 13.24 H new ATOM 0 HB3 SER A 26 -12.305 18.290 4.026 1.00 13.24 H new ATOM 0 HG SER A 26 -10.905 18.302 5.875 1.00 25.21 H new ATOM 429 N LEU A 27 -14.070 15.713 4.266 1.00 23.03 N ATOM 430 CA LEU A 27 -15.064 15.033 5.089 1.00 14.41 C ATOM 431 C LEU A 27 -15.211 13.574 4.672 1.00 72.35 C ATOM 432 O LEU A 27 -15.166 12.671 5.508 1.00 13.31 O ATOM 433 CB LEU A 27 -16.415 15.744 4.983 1.00 44.40 C ATOM 434 CG LEU A 27 -16.522 17.092 5.698 1.00 63.20 C ATOM 435 CD1 LEU A 27 -17.899 17.701 5.485 1.00 43.21 C ATOM 436 CD2 LEU A 27 -16.231 16.932 7.183 1.00 11.11 C ATOM 0 H LEU A 27 -14.460 16.371 3.591 1.00 23.03 H new ATOM 0 HA LEU A 27 -14.724 15.063 6.124 1.00 14.41 H new ATOM 0 HB2 LEU A 27 -16.641 15.896 3.928 1.00 44.40 H new ATOM 0 HB3 LEU A 27 -17.184 15.082 5.381 1.00 44.40 H new ATOM 0 HG LEU A 27 -15.779 17.767 5.273 1.00 63.20 H new ATOM 0 HD11 LEU A 27 -17.957 18.659 6.001 1.00 43.21 H new ATOM 0 HD12 LEU A 27 -18.069 17.852 4.419 1.00 43.21 H new ATOM 0 HD13 LEU A 27 -18.660 17.029 5.882 1.00 43.21 H new ATOM 0 HD21 LEU A 27 -16.312 17.901 7.676 1.00 11.11 H new ATOM 0 HD22 LEU A 27 -16.950 16.240 7.622 1.00 11.11 H new ATOM 0 HD23 LEU A 27 -15.223 16.540 7.316 1.00 11.11 H new ATOM 448 N ILE A 28 -15.385 13.350 3.373 1.00 24.34 N ATOM 449 CA ILE A 28 -15.534 12.000 2.845 1.00 33.50 C ATOM 450 C ILE A 28 -14.287 11.164 3.110 1.00 23.13 C ATOM 451 O ILE A 28 -14.377 10.022 3.561 1.00 50.44 O ATOM 452 CB ILE A 28 -15.815 12.015 1.331 1.00 55.51 C ATOM 453 CG1 ILE A 28 -15.826 10.589 0.777 1.00 52.20 C ATOM 454 CG2 ILE A 28 -14.778 12.862 0.608 1.00 13.35 C ATOM 455 CD1 ILE A 28 -16.827 9.683 1.460 1.00 51.55 C ATOM 0 H ILE A 28 -15.426 14.086 2.668 1.00 24.34 H new ATOM 0 HA ILE A 28 -16.384 11.553 3.360 1.00 33.50 H new ATOM 0 HB ILE A 28 -16.797 12.457 1.164 1.00 55.51 H new ATOM 0 HG12 ILE A 28 -16.048 10.624 -0.290 1.00 52.20 H new ATOM 0 HG13 ILE A 28 -14.829 10.160 0.881 1.00 52.20 H new ATOM 0 HG21 ILE A 28 -14.990 12.863 -0.461 1.00 13.35 H new ATOM 0 HG22 ILE A 28 -14.815 13.884 0.986 1.00 13.35 H new ATOM 0 HG23 ILE A 28 -13.785 12.447 0.781 1.00 13.35 H new ATOM 0 HD11 ILE A 28 -16.780 8.689 1.016 1.00 51.55 H new ATOM 0 HD12 ILE A 28 -16.593 9.618 2.523 1.00 51.55 H new ATOM 0 HD13 ILE A 28 -17.831 10.089 1.334 1.00 51.55 H new ATOM 467 N GLU A 29 -13.123 11.742 2.829 1.00 0.02 N ATOM 468 CA GLU A 29 -11.857 11.050 3.039 1.00 43.02 C ATOM 469 C GLU A 29 -11.619 10.787 4.523 1.00 13.42 C ATOM 470 O GLU A 29 -11.020 9.781 4.898 1.00 65.10 O ATOM 471 CB GLU A 29 -10.700 11.870 2.463 1.00 14.55 C ATOM 472 CG GLU A 29 -10.342 13.087 3.300 1.00 11.30 C ATOM 473 CD GLU A 29 -9.364 12.763 4.413 1.00 51.05 C ATOM 474 OE1 GLU A 29 -8.944 11.591 4.509 1.00 63.10 O ATOM 475 OE2 GLU A 29 -9.019 13.680 5.186 1.00 14.33 O ATOM 0 H GLU A 29 -13.031 12.687 2.456 1.00 0.02 H new ATOM 0 HA GLU A 29 -11.907 10.092 2.522 1.00 43.02 H new ATOM 0 HB2 GLU A 29 -9.822 11.230 2.372 1.00 14.55 H new ATOM 0 HB3 GLU A 29 -10.962 12.196 1.456 1.00 14.55 H new ATOM 0 HG2 GLU A 29 -9.912 13.853 2.655 1.00 11.30 H new ATOM 0 HG3 GLU A 29 -11.251 13.507 3.731 1.00 11.30 H new ATOM 482 N ASN A 30 -12.094 11.701 5.363 1.00 14.41 N ATOM 483 CA ASN A 30 -11.933 11.570 6.807 1.00 53.04 C ATOM 484 C ASN A 30 -12.796 10.435 7.349 1.00 14.03 C ATOM 485 O ASN A 30 -12.304 9.544 8.042 1.00 61.41 O ATOM 486 CB ASN A 30 -12.300 12.882 7.503 1.00 4.21 C ATOM 487 CG ASN A 30 -11.116 13.822 7.625 1.00 42.21 C ATOM 488 OD1 ASN A 30 -9.962 13.394 7.585 1.00 33.11 O ATOM 489 ND2 ASN A 30 -11.397 15.111 7.775 1.00 52.33 N ATOM 0 H ASN A 30 -12.593 12.540 5.069 1.00 14.41 H new ATOM 0 HA ASN A 30 -10.888 11.338 7.012 1.00 53.04 H new ATOM 0 HB2 ASN A 30 -13.096 13.375 6.946 1.00 4.21 H new ATOM 0 HB3 ASN A 30 -12.693 12.666 8.497 1.00 4.21 H new ATOM 0 HD21 ASN A 30 -10.642 15.791 7.862 1.00 52.33 H new ATOM 0 HD22 ASN A 30 -12.368 15.421 7.803 1.00 52.33 H new ATOM 496 N CYS A 31 -14.085 10.474 7.029 1.00 10.54 N ATOM 497 CA CYS A 31 -15.018 9.449 7.485 1.00 45.42 C ATOM 498 C CYS A 31 -14.702 8.103 6.841 1.00 55.21 C ATOM 499 O CYS A 31 -14.645 7.077 7.518 1.00 35.43 O ATOM 500 CB CYS A 31 -16.455 9.859 7.162 1.00 33.20 C ATOM 501 SG CYS A 31 -16.913 11.495 7.780 1.00 53.20 S ATOM 0 H CYS A 31 -14.508 11.204 6.456 1.00 10.54 H new ATOM 0 HA CYS A 31 -14.911 9.348 8.565 1.00 45.42 H new ATOM 0 HB2 CYS A 31 -16.593 9.839 6.081 1.00 33.20 H new ATOM 0 HB3 CYS A 31 -17.136 9.120 7.584 1.00 33.20 H new ATOM 0 HG CYS A 31 -16.362 12.409 7.038 1.00 53.20 H new ATOM 507 N LYS A 32 -14.500 8.114 5.528 1.00 50.22 N ATOM 508 CA LYS A 32 -14.191 6.895 4.790 1.00 31.25 C ATOM 509 C LYS A 32 -12.889 6.274 5.287 1.00 73.12 C ATOM 510 O LYS A 32 -12.712 5.056 5.240 1.00 54.43 O ATOM 511 CB LYS A 32 -14.088 7.192 3.293 1.00 52.22 C ATOM 512 CG LYS A 32 -13.774 5.968 2.450 1.00 43.41 C ATOM 513 CD LYS A 32 -12.523 6.175 1.612 1.00 73.13 C ATOM 514 CE LYS A 32 -12.790 7.094 0.430 1.00 73.05 C ATOM 515 NZ LYS A 32 -13.786 6.511 -0.512 1.00 51.51 N ATOM 0 H LYS A 32 -14.545 8.955 4.952 1.00 50.22 H new ATOM 0 HA LYS A 32 -15.000 6.184 4.958 1.00 31.25 H new ATOM 0 HB2 LYS A 32 -15.028 7.626 2.952 1.00 52.22 H new ATOM 0 HB3 LYS A 32 -13.313 7.942 3.132 1.00 52.22 H new ATOM 0 HG2 LYS A 32 -13.639 5.103 3.099 1.00 43.41 H new ATOM 0 HG3 LYS A 32 -14.619 5.748 1.797 1.00 43.41 H new ATOM 0 HD2 LYS A 32 -11.734 6.599 2.233 1.00 73.13 H new ATOM 0 HD3 LYS A 32 -12.162 5.212 1.251 1.00 73.13 H new ATOM 0 HE2 LYS A 32 -13.153 8.056 0.792 1.00 73.05 H new ATOM 0 HE3 LYS A 32 -11.857 7.284 -0.100 1.00 73.05 H new ATOM 0 HZ1 LYS A 32 -13.406 6.538 -1.480 1.00 51.51 H new ATOM 0 HZ2 LYS A 32 -13.981 5.525 -0.244 1.00 51.51 H new ATOM 0 HZ3 LYS A 32 -14.667 7.062 -0.471 1.00 51.51 H new ATOM 529 N LYS A 33 -11.981 7.118 5.764 1.00 62.10 N ATOM 530 CA LYS A 33 -10.696 6.653 6.272 1.00 22.42 C ATOM 531 C LYS A 33 -10.889 5.685 7.435 1.00 21.41 C ATOM 532 O LYS A 33 -9.987 4.917 7.772 1.00 13.02 O ATOM 533 CB LYS A 33 -9.841 7.840 6.720 1.00 41.30 C ATOM 534 CG LYS A 33 -8.741 8.203 5.737 1.00 22.43 C ATOM 535 CD LYS A 33 -7.363 7.936 6.320 1.00 41.03 C ATOM 536 CE LYS A 33 -6.733 9.208 6.866 1.00 41.23 C ATOM 537 NZ LYS A 33 -5.669 8.915 7.866 1.00 13.30 N ATOM 0 H LYS A 33 -12.111 8.129 5.809 1.00 62.10 H new ATOM 0 HA LYS A 33 -10.184 6.128 5.466 1.00 22.42 H new ATOM 0 HB2 LYS A 33 -10.486 8.706 6.867 1.00 41.30 H new ATOM 0 HB3 LYS A 33 -9.392 7.609 7.686 1.00 41.30 H new ATOM 0 HG2 LYS A 33 -8.867 7.628 4.820 1.00 22.43 H new ATOM 0 HG3 LYS A 33 -8.825 9.256 5.467 1.00 22.43 H new ATOM 0 HD2 LYS A 33 -7.441 7.196 7.117 1.00 41.03 H new ATOM 0 HD3 LYS A 33 -6.718 7.510 5.552 1.00 41.03 H new ATOM 0 HE2 LYS A 33 -6.310 9.785 6.044 1.00 41.23 H new ATOM 0 HE3 LYS A 33 -7.504 9.826 7.326 1.00 41.23 H new ATOM 0 HZ1 LYS A 33 -5.264 9.808 8.214 1.00 13.30 H new ATOM 0 HZ2 LYS A 33 -6.078 8.386 8.663 1.00 13.30 H new ATOM 0 HZ3 LYS A 33 -4.921 8.346 7.420 1.00 13.30 H new ATOM 551 N ARG A 34 -12.070 5.725 8.043 1.00 1.43 N ATOM 552 CA ARG A 34 -12.381 4.851 9.168 1.00 4.51 C ATOM 553 C ARG A 34 -12.729 3.447 8.685 1.00 60.40 C ATOM 554 O ARG A 34 -12.973 2.547 9.487 1.00 35.33 O ATOM 555 CB ARG A 34 -13.542 5.425 9.982 1.00 52.35 C ATOM 556 CG ARG A 34 -13.292 6.836 10.489 1.00 51.13 C ATOM 557 CD ARG A 34 -12.461 6.831 11.762 1.00 13.14 C ATOM 558 NE ARG A 34 -13.232 6.377 12.917 1.00 62.32 N ATOM 559 CZ ARG A 34 -12.809 6.486 14.171 1.00 14.14 C ATOM 560 NH1 ARG A 34 -11.630 7.032 14.432 1.00 3.21 N ATOM 561 NH2 ARG A 34 -13.568 6.049 15.169 1.00 50.14 N ATOM 0 H ARG A 34 -12.828 6.353 7.775 1.00 1.43 H new ATOM 0 HA ARG A 34 -11.497 4.789 9.803 1.00 4.51 H new ATOM 0 HB2 ARG A 34 -14.442 5.423 9.367 1.00 52.35 H new ATOM 0 HB3 ARG A 34 -13.736 4.772 10.833 1.00 52.35 H new ATOM 0 HG2 ARG A 34 -12.779 7.414 9.721 1.00 51.13 H new ATOM 0 HG3 ARG A 34 -14.245 7.330 10.677 1.00 51.13 H new ATOM 0 HD2 ARG A 34 -11.595 6.183 11.627 1.00 13.14 H new ATOM 0 HD3 ARG A 34 -12.082 7.835 11.951 1.00 13.14 H new ATOM 0 HE ARG A 34 -14.145 5.953 12.751 1.00 62.32 H new ATOM 0 HH11 ARG A 34 -11.044 7.370 13.668 1.00 3.21 H new ATOM 0 HH12 ARG A 34 -11.308 7.114 15.396 1.00 3.21 H new ATOM 0 HH21 ARG A 34 -14.477 5.629 14.973 1.00 50.14 H new ATOM 0 HH22 ARG A 34 -13.242 6.133 16.132 1.00 50.14 H new ATOM 575 N ASN A 35 -12.750 3.267 7.368 1.00 1.52 N ATOM 576 CA ASN A 35 -13.070 1.973 6.778 1.00 65.30 C ATOM 577 C ASN A 35 -12.089 1.627 5.661 1.00 13.21 C ATOM 578 O ASN A 35 -11.379 0.625 5.733 1.00 3.03 O ATOM 579 CB ASN A 35 -14.500 1.976 6.234 1.00 65.21 C ATOM 580 CG ASN A 35 -15.209 0.656 6.466 1.00 72.22 C ATOM 581 OD1 ASN A 35 -15.404 0.235 7.606 1.00 24.22 O ATOM 582 ND2 ASN A 35 -15.600 -0.004 5.382 1.00 62.23 N ATOM 0 H ASN A 35 -12.549 4.002 6.689 1.00 1.52 H new ATOM 0 HA ASN A 35 -12.987 1.216 7.558 1.00 65.30 H new ATOM 0 HB2 ASN A 35 -15.065 2.777 6.710 1.00 65.21 H new ATOM 0 HB3 ASN A 35 -14.479 2.191 5.166 1.00 65.21 H new ATOM 0 HD21 ASN A 35 -16.083 -0.898 5.475 1.00 62.23 H new ATOM 0 HD22 ASN A 35 -15.417 0.383 4.456 1.00 62.23 H new ATOM 589 N MET A 36 -12.057 2.465 4.630 1.00 70.44 N ATOM 590 CA MET A 36 -11.163 2.249 3.498 1.00 24.42 C ATOM 591 C MET A 36 -10.186 3.411 3.348 1.00 61.42 C ATOM 592 O MET A 36 -10.359 4.294 2.508 1.00 71.33 O ATOM 593 CB MET A 36 -11.969 2.075 2.209 1.00 25.55 C ATOM 594 CG MET A 36 -11.118 1.699 1.007 1.00 50.22 C ATOM 595 SD MET A 36 -11.053 3.007 -0.233 1.00 73.53 S ATOM 596 CE MET A 36 -9.948 2.276 -1.438 1.00 64.11 C ATOM 0 H MET A 36 -12.639 3.299 4.555 1.00 70.44 H new ATOM 0 HA MET A 36 -10.593 1.339 3.686 1.00 24.42 H new ATOM 0 HB2 MET A 36 -12.725 1.305 2.364 1.00 25.55 H new ATOM 0 HB3 MET A 36 -12.499 3.003 1.993 1.00 25.55 H new ATOM 0 HG2 MET A 36 -10.106 1.469 1.341 1.00 50.22 H new ATOM 0 HG3 MET A 36 -11.518 0.792 0.553 1.00 50.22 H new ATOM 0 HE1 MET A 36 -9.808 2.967 -2.269 1.00 64.11 H new ATOM 0 HE2 MET A 36 -8.985 2.070 -0.971 1.00 64.11 H new ATOM 0 HE3 MET A 36 -10.378 1.345 -1.808 1.00 64.11 H new ATOM 606 N PRO A 37 -9.134 3.412 4.180 1.00 13.54 N ATOM 607 CA PRO A 37 -8.109 4.460 4.159 1.00 54.32 C ATOM 608 C PRO A 37 -7.242 4.397 2.906 1.00 10.12 C ATOM 609 O PRO A 37 -6.890 3.314 2.436 1.00 1.24 O ATOM 610 CB PRO A 37 -7.272 4.163 5.405 1.00 64.11 C ATOM 611 CG PRO A 37 -7.463 2.706 5.651 1.00 2.10 C ATOM 612 CD PRO A 37 -8.865 2.392 5.207 1.00 65.53 C ATOM 0 HA PRO A 37 -8.546 5.458 4.152 1.00 54.32 H new ATOM 0 HB2 PRO A 37 -6.221 4.403 5.242 1.00 64.11 H new ATOM 0 HB3 PRO A 37 -7.606 4.755 6.257 1.00 64.11 H new ATOM 0 HG2 PRO A 37 -6.736 2.117 5.092 1.00 2.10 H new ATOM 0 HG3 PRO A 37 -7.325 2.467 6.705 1.00 2.10 H new ATOM 0 HD2 PRO A 37 -8.942 1.383 4.801 1.00 65.53 H new ATOM 0 HD3 PRO A 37 -9.573 2.458 6.034 1.00 65.53 H new ATOM 620 N LEU A 38 -6.900 5.563 2.370 1.00 51.23 N ATOM 621 CA LEU A 38 -6.073 5.640 1.171 1.00 45.53 C ATOM 622 C LEU A 38 -4.663 6.114 1.511 1.00 13.34 C ATOM 623 O LEU A 38 -4.242 6.057 2.666 1.00 23.31 O ATOM 624 CB LEU A 38 -6.708 6.585 0.149 1.00 45.21 C ATOM 625 CG LEU A 38 -7.080 5.965 -1.198 1.00 62.22 C ATOM 626 CD1 LEU A 38 -7.629 7.025 -2.140 1.00 72.33 C ATOM 627 CD2 LEU A 38 -5.875 5.271 -1.817 1.00 50.21 C ATOM 0 H LEU A 38 -7.182 6.468 2.746 1.00 51.23 H new ATOM 0 HA LEU A 38 -6.007 4.641 0.741 1.00 45.53 H new ATOM 0 HB2 LEU A 38 -7.608 7.013 0.590 1.00 45.21 H new ATOM 0 HB3 LEU A 38 -6.018 7.409 -0.031 1.00 45.21 H new ATOM 0 HG LEU A 38 -7.857 5.219 -1.031 1.00 62.22 H new ATOM 0 HD11 LEU A 38 -7.888 6.565 -3.094 1.00 72.33 H new ATOM 0 HD12 LEU A 38 -8.519 7.476 -1.701 1.00 72.33 H new ATOM 0 HD13 LEU A 38 -6.874 7.794 -2.302 1.00 72.33 H new ATOM 0 HD21 LEU A 38 -6.158 4.836 -2.775 1.00 50.21 H new ATOM 0 HD22 LEU A 38 -5.076 5.997 -1.970 1.00 50.21 H new ATOM 0 HD23 LEU A 38 -5.526 4.483 -1.149 1.00 50.21 H new ATOM 639 N GLN A 39 -3.942 6.584 0.499 1.00 4.10 N ATOM 640 CA GLN A 39 -2.580 7.069 0.692 1.00 13.44 C ATOM 641 C GLN A 39 -2.576 8.383 1.468 1.00 64.40 C ATOM 642 O GLN A 39 -1.745 8.589 2.353 1.00 52.32 O ATOM 643 CB GLN A 39 -1.887 7.258 -0.658 1.00 0.41 C ATOM 644 CG GLN A 39 -0.377 7.404 -0.552 1.00 35.52 C ATOM 645 CD GLN A 39 0.068 8.852 -0.507 1.00 31.12 C ATOM 646 OE1 GLN A 39 0.791 9.263 0.401 1.00 15.33 O ATOM 647 NE2 GLN A 39 -0.362 9.634 -1.490 1.00 1.42 N ATOM 0 H GLN A 39 -4.277 6.640 -0.463 1.00 4.10 H new ATOM 0 HA GLN A 39 -2.034 6.324 1.271 1.00 13.44 H new ATOM 0 HB2 GLN A 39 -2.117 6.406 -1.298 1.00 0.41 H new ATOM 0 HB3 GLN A 39 -2.296 8.143 -1.146 1.00 0.41 H new ATOM 0 HG2 GLN A 39 -0.029 6.893 0.346 1.00 35.52 H new ATOM 0 HG3 GLN A 39 0.092 6.910 -1.403 1.00 35.52 H new ATOM 0 HE21 GLN A 39 -0.960 9.251 -2.222 1.00 1.42 H new ATOM 0 HE22 GLN A 39 -0.094 10.618 -1.513 1.00 1.42 H new ATOM 656 N SER A 40 -3.508 9.267 1.130 1.00 51.34 N ATOM 657 CA SER A 40 -3.609 10.563 1.791 1.00 22.25 C ATOM 658 C SER A 40 -4.770 11.374 1.224 1.00 24.00 C ATOM 659 O SER A 40 -5.788 11.569 1.888 1.00 20.13 O ATOM 660 CB SER A 40 -2.302 11.342 1.634 1.00 1.52 C ATOM 661 OG SER A 40 -1.511 11.253 2.806 1.00 4.34 O ATOM 0 H SER A 40 -4.205 9.110 0.402 1.00 51.34 H new ATOM 0 HA SER A 40 -3.795 10.389 2.851 1.00 22.25 H new ATOM 0 HB2 SER A 40 -1.743 10.952 0.784 1.00 1.52 H new ATOM 0 HB3 SER A 40 -2.522 12.388 1.419 1.00 1.52 H new ATOM 0 HG SER A 40 -1.332 10.311 3.009 1.00 4.34 H new ATOM 667 N ILE A 41 -4.608 11.844 -0.008 1.00 41.21 N ATOM 668 CA ILE A 41 -5.642 12.633 -0.666 1.00 0.20 C ATOM 669 C ILE A 41 -6.351 11.821 -1.745 1.00 25.04 C ATOM 670 O ILE A 41 -5.880 11.700 -2.876 1.00 3.42 O ATOM 671 CB ILE A 41 -5.058 13.909 -1.301 1.00 11.34 C ATOM 672 CG1 ILE A 41 -4.200 14.664 -0.283 1.00 51.33 C ATOM 673 CG2 ILE A 41 -6.175 14.800 -1.824 1.00 34.52 C ATOM 674 CD1 ILE A 41 -2.715 14.568 -0.555 1.00 72.13 C ATOM 0 H ILE A 41 -3.771 11.692 -0.571 1.00 41.21 H new ATOM 0 HA ILE A 41 -6.360 12.915 0.104 1.00 0.20 H new ATOM 0 HB ILE A 41 -4.425 13.622 -2.141 1.00 11.34 H new ATOM 0 HG12 ILE A 41 -4.494 15.714 -0.280 1.00 51.33 H new ATOM 0 HG13 ILE A 41 -4.405 14.273 0.714 1.00 51.33 H new ATOM 0 HG21 ILE A 41 -5.746 15.697 -2.270 1.00 34.52 H new ATOM 0 HG22 ILE A 41 -6.749 14.260 -2.577 1.00 34.52 H new ATOM 0 HG23 ILE A 41 -6.831 15.082 -1.001 1.00 34.52 H new ATOM 0 HD11 ILE A 41 -2.169 15.126 0.206 1.00 72.13 H new ATOM 0 HD12 ILE A 41 -2.407 13.523 -0.529 1.00 72.13 H new ATOM 0 HD13 ILE A 41 -2.497 14.986 -1.538 1.00 72.13 H new ATOM 686 N PRO A 42 -7.511 11.251 -1.389 1.00 74.21 N ATOM 687 CA PRO A 42 -8.312 10.442 -2.313 1.00 63.22 C ATOM 688 C PRO A 42 -8.949 11.281 -3.416 1.00 24.23 C ATOM 689 O PRO A 42 -9.835 12.093 -3.155 1.00 54.14 O ATOM 690 CB PRO A 42 -9.390 9.836 -1.412 1.00 12.05 C ATOM 691 CG PRO A 42 -9.510 10.788 -0.272 1.00 24.13 C ATOM 692 CD PRO A 42 -8.132 11.352 -0.058 1.00 14.52 C ATOM 0 HA PRO A 42 -7.707 9.700 -2.834 1.00 63.22 H new ATOM 0 HB2 PRO A 42 -10.337 9.732 -1.942 1.00 12.05 H new ATOM 0 HB3 PRO A 42 -9.106 8.841 -1.069 1.00 12.05 H new ATOM 0 HG2 PRO A 42 -10.225 11.579 -0.498 1.00 24.13 H new ATOM 0 HG3 PRO A 42 -9.868 10.281 0.624 1.00 24.13 H new ATOM 0 HD2 PRO A 42 -8.170 12.384 0.290 1.00 14.52 H new ATOM 0 HD3 PRO A 42 -7.577 10.784 0.688 1.00 14.52 H new ATOM 700 N GLU A 43 -8.491 11.078 -4.647 1.00 65.11 N ATOM 701 CA GLU A 43 -9.017 11.817 -5.789 1.00 4.14 C ATOM 702 C GLU A 43 -9.120 10.919 -7.018 1.00 33.54 C ATOM 703 O GLU A 43 -8.261 10.068 -7.252 1.00 34.24 O ATOM 704 CB GLU A 43 -8.126 13.022 -6.098 1.00 53.41 C ATOM 705 CG GLU A 43 -8.608 13.847 -7.280 1.00 11.54 C ATOM 706 CD GLU A 43 -8.070 15.265 -7.260 1.00 24.14 C ATOM 707 OE1 GLU A 43 -7.218 15.563 -6.396 1.00 51.10 O ATOM 708 OE2 GLU A 43 -8.499 16.075 -8.107 1.00 13.44 O ATOM 0 H GLU A 43 -7.757 10.408 -4.879 1.00 65.11 H new ATOM 0 HA GLU A 43 -10.016 12.168 -5.533 1.00 4.14 H new ATOM 0 HB2 GLU A 43 -8.074 13.661 -5.216 1.00 53.41 H new ATOM 0 HB3 GLU A 43 -7.113 12.673 -6.298 1.00 53.41 H new ATOM 0 HG2 GLU A 43 -8.304 13.360 -8.206 1.00 11.54 H new ATOM 0 HG3 GLU A 43 -9.698 13.876 -7.278 1.00 11.54 H new ATOM 715 N ILE A 44 -10.178 11.114 -7.798 1.00 63.23 N ATOM 716 CA ILE A 44 -10.394 10.322 -9.003 1.00 3.10 C ATOM 717 C ILE A 44 -11.263 11.073 -10.006 1.00 1.32 C ATOM 718 O ILE A 44 -12.412 11.406 -9.720 1.00 74.44 O ATOM 719 CB ILE A 44 -11.056 8.971 -8.677 1.00 74.42 C ATOM 720 CG1 ILE A 44 -11.345 8.196 -9.965 1.00 31.13 C ATOM 721 CG2 ILE A 44 -12.337 9.186 -7.884 1.00 4.11 C ATOM 722 CD1 ILE A 44 -10.797 6.786 -9.957 1.00 41.14 C ATOM 0 H ILE A 44 -10.899 11.813 -7.617 1.00 63.23 H new ATOM 0 HA ILE A 44 -9.413 10.140 -9.441 1.00 3.10 H new ATOM 0 HB ILE A 44 -10.369 8.384 -8.068 1.00 74.42 H new ATOM 0 HG12 ILE A 44 -12.423 8.157 -10.122 1.00 31.13 H new ATOM 0 HG13 ILE A 44 -10.919 8.738 -10.809 1.00 31.13 H new ATOM 0 HG21 ILE A 44 -12.793 8.221 -7.661 1.00 4.11 H new ATOM 0 HG22 ILE A 44 -12.106 9.702 -6.952 1.00 4.11 H new ATOM 0 HG23 ILE A 44 -13.031 9.789 -8.470 1.00 4.11 H new ATOM 0 HD11 ILE A 44 -11.039 6.296 -10.900 1.00 41.14 H new ATOM 0 HD12 ILE A 44 -9.715 6.817 -9.831 1.00 41.14 H new ATOM 0 HD13 ILE A 44 -11.242 6.227 -9.134 1.00 41.14 H new ATOM 734 N GLY A 45 -10.705 11.336 -11.184 1.00 13.41 N ATOM 735 CA GLY A 45 -11.444 12.045 -12.213 1.00 31.14 C ATOM 736 C GLY A 45 -11.206 13.541 -12.171 1.00 14.45 C ATOM 737 O GLY A 45 -10.404 14.071 -12.938 1.00 22.30 O ATOM 0 H GLY A 45 -9.755 11.071 -11.444 1.00 13.41 H new ATOM 0 HA2 GLY A 45 -11.156 11.662 -13.192 1.00 31.14 H new ATOM 0 HA3 GLY A 45 -12.509 11.846 -12.093 1.00 31.14 H new ATOM 741 N ASN A 46 -11.908 14.225 -11.272 1.00 45.31 N ATOM 742 CA ASN A 46 -11.770 15.671 -11.135 1.00 33.23 C ATOM 743 C ASN A 46 -12.681 16.201 -10.031 1.00 42.25 C ATOM 744 O ASN A 46 -13.326 17.237 -10.190 1.00 55.32 O ATOM 745 CB ASN A 46 -12.098 16.363 -12.459 1.00 52.31 C ATOM 746 CG ASN A 46 -11.147 17.504 -12.766 1.00 61.32 C ATOM 747 OD1 ASN A 46 -10.599 17.591 -13.865 1.00 63.31 O ATOM 748 ND2 ASN A 46 -10.947 18.385 -11.793 1.00 45.13 N ATOM 0 H ASN A 46 -12.577 13.802 -10.629 1.00 45.31 H new ATOM 0 HA ASN A 46 -10.737 15.889 -10.866 1.00 33.23 H new ATOM 0 HB2 ASN A 46 -12.058 15.633 -13.267 1.00 52.31 H new ATOM 0 HB3 ASN A 46 -13.119 16.744 -12.424 1.00 52.31 H new ATOM 0 HD21 ASN A 46 -10.318 19.174 -11.941 1.00 45.13 H new ATOM 0 HD22 ASN A 46 -11.423 18.273 -10.898 1.00 45.13 H new ATOM 755 N ARG A 47 -12.727 15.484 -8.914 1.00 24.13 N ATOM 756 CA ARG A 47 -13.558 15.882 -7.784 1.00 71.31 C ATOM 757 C ARG A 47 -15.036 15.865 -8.164 1.00 42.24 C ATOM 758 O ARG A 47 -15.510 16.736 -8.895 1.00 31.34 O ATOM 759 CB ARG A 47 -13.161 17.277 -7.298 1.00 32.34 C ATOM 760 CG ARG A 47 -11.670 17.434 -7.049 1.00 61.42 C ATOM 761 CD ARG A 47 -11.375 17.709 -5.583 1.00 53.21 C ATOM 762 NE ARG A 47 -12.052 16.762 -4.701 1.00 62.33 N ATOM 763 CZ ARG A 47 -11.685 15.492 -4.567 1.00 41.10 C ATOM 764 NH1 ARG A 47 -10.653 15.021 -5.253 1.00 61.41 N ATOM 765 NH2 ARG A 47 -12.350 14.691 -3.745 1.00 15.34 N ATOM 0 H ARG A 47 -12.199 14.624 -8.767 1.00 24.13 H new ATOM 0 HA ARG A 47 -13.399 15.166 -6.978 1.00 71.31 H new ATOM 0 HB2 ARG A 47 -13.477 18.013 -8.037 1.00 32.34 H new ATOM 0 HB3 ARG A 47 -13.700 17.499 -6.377 1.00 32.34 H new ATOM 0 HG2 ARG A 47 -11.151 16.528 -7.362 1.00 61.42 H new ATOM 0 HG3 ARG A 47 -11.282 18.250 -7.658 1.00 61.42 H new ATOM 0 HD2 ARG A 47 -10.299 17.657 -5.414 1.00 53.21 H new ATOM 0 HD3 ARG A 47 -11.688 18.723 -5.334 1.00 53.21 H new ATOM 0 HE ARG A 47 -12.850 17.093 -4.159 1.00 62.33 H new ATOM 0 HH11 ARG A 47 -10.139 15.634 -5.886 1.00 61.41 H new ATOM 0 HH12 ARG A 47 -10.373 14.046 -5.148 1.00 61.41 H new ATOM 0 HH21 ARG A 47 -13.144 15.050 -3.215 1.00 15.34 H new ATOM 0 HH22 ARG A 47 -12.067 13.716 -3.643 1.00 15.34 H new ATOM 779 N LYS A 48 -15.759 14.869 -7.665 1.00 21.32 N ATOM 780 CA LYS A 48 -17.183 14.738 -7.950 1.00 63.24 C ATOM 781 C LYS A 48 -17.942 14.250 -6.721 1.00 23.33 C ATOM 782 O LYS A 48 -19.109 13.868 -6.811 1.00 61.05 O ATOM 783 CB LYS A 48 -17.403 13.771 -9.116 1.00 32.10 C ATOM 784 CG LYS A 48 -18.070 14.412 -10.321 1.00 3.53 C ATOM 785 CD LYS A 48 -17.354 14.052 -11.612 1.00 2.34 C ATOM 786 CE LYS A 48 -15.954 14.646 -11.657 1.00 20.41 C ATOM 787 NZ LYS A 48 -15.765 15.531 -12.839 1.00 0.40 N ATOM 0 H LYS A 48 -15.382 14.139 -7.060 1.00 21.32 H new ATOM 0 HA LYS A 48 -17.565 15.721 -8.224 1.00 63.24 H new ATOM 0 HB2 LYS A 48 -16.441 13.358 -9.421 1.00 32.10 H new ATOM 0 HB3 LYS A 48 -18.015 12.936 -8.774 1.00 32.10 H new ATOM 0 HG2 LYS A 48 -19.109 14.088 -10.378 1.00 3.53 H new ATOM 0 HG3 LYS A 48 -18.080 15.495 -10.199 1.00 3.53 H new ATOM 0 HD2 LYS A 48 -17.294 12.968 -11.706 1.00 2.34 H new ATOM 0 HD3 LYS A 48 -17.931 14.414 -12.463 1.00 2.34 H new ATOM 0 HE2 LYS A 48 -15.771 15.214 -10.745 1.00 20.41 H new ATOM 0 HE3 LYS A 48 -15.219 13.842 -11.684 1.00 20.41 H new ATOM 0 HZ1 LYS A 48 -14.810 15.393 -13.227 1.00 0.40 H new ATOM 0 HZ2 LYS A 48 -16.471 15.296 -13.565 1.00 0.40 H new ATOM 0 HZ3 LYS A 48 -15.882 16.524 -12.552 1.00 0.40 H new ATOM 801 N ILE A 49 -17.273 14.266 -5.573 1.00 5.21 N ATOM 802 CA ILE A 49 -17.886 13.828 -4.325 1.00 63.34 C ATOM 803 C ILE A 49 -18.593 14.983 -3.625 1.00 31.32 C ATOM 804 O ILE A 49 -19.315 14.781 -2.649 1.00 52.44 O ATOM 805 CB ILE A 49 -16.842 13.223 -3.367 1.00 74.25 C ATOM 806 CG1 ILE A 49 -15.957 12.220 -4.110 1.00 44.53 C ATOM 807 CG2 ILE A 49 -17.532 12.555 -2.187 1.00 4.43 C ATOM 808 CD1 ILE A 49 -14.656 12.814 -4.604 1.00 25.42 C ATOM 0 H ILE A 49 -16.306 14.578 -5.481 1.00 5.21 H new ATOM 0 HA ILE A 49 -18.617 13.062 -4.584 1.00 63.34 H new ATOM 0 HB ILE A 49 -16.210 14.026 -2.988 1.00 74.25 H new ATOM 0 HG12 ILE A 49 -15.737 11.382 -3.449 1.00 44.53 H new ATOM 0 HG13 ILE A 49 -16.510 11.819 -4.959 1.00 44.53 H new ATOM 0 HG21 ILE A 49 -16.782 12.132 -1.519 1.00 4.43 H new ATOM 0 HG22 ILE A 49 -18.125 13.293 -1.647 1.00 4.43 H new ATOM 0 HG23 ILE A 49 -18.184 11.761 -2.549 1.00 4.43 H new ATOM 0 HD11 ILE A 49 -14.079 12.047 -5.121 1.00 25.42 H new ATOM 0 HD12 ILE A 49 -14.868 13.634 -5.291 1.00 25.42 H new ATOM 0 HD13 ILE A 49 -14.083 13.190 -3.757 1.00 25.42 H new ATOM 820 N ASN A 50 -18.381 16.193 -4.131 1.00 15.32 N ATOM 821 CA ASN A 50 -19.000 17.382 -3.554 1.00 71.43 C ATOM 822 C ASN A 50 -20.481 17.454 -3.916 1.00 45.02 C ATOM 823 O ASN A 50 -20.905 16.931 -4.948 1.00 12.44 O ATOM 824 CB ASN A 50 -18.283 18.642 -4.040 1.00 45.43 C ATOM 825 CG ASN A 50 -18.887 19.909 -3.466 1.00 41.32 C ATOM 826 OD1 ASN A 50 -19.100 20.888 -4.182 1.00 11.12 O ATOM 827 ND2 ASN A 50 -19.166 19.896 -2.168 1.00 23.10 N ATOM 0 H ASN A 50 -17.786 16.377 -4.939 1.00 15.32 H new ATOM 0 HA ASN A 50 -18.912 17.318 -2.469 1.00 71.43 H new ATOM 0 HB2 ASN A 50 -17.230 18.587 -3.763 1.00 45.43 H new ATOM 0 HB3 ASN A 50 -18.325 18.684 -5.128 1.00 45.43 H new ATOM 0 HD21 ASN A 50 -19.574 20.720 -1.726 1.00 23.10 H new ATOM 0 HD22 ASN A 50 -18.973 19.062 -1.613 1.00 23.10 H new ATOM 834 N LEU A 51 -21.261 18.105 -3.062 1.00 15.45 N ATOM 835 CA LEU A 51 -22.695 18.248 -3.291 1.00 31.43 C ATOM 836 C LEU A 51 -22.971 19.243 -4.413 1.00 71.22 C ATOM 837 O LEU A 51 -24.009 19.179 -5.073 1.00 24.40 O ATOM 838 CB LEU A 51 -23.394 18.701 -2.008 1.00 51.50 C ATOM 839 CG LEU A 51 -24.330 17.683 -1.357 1.00 74.33 C ATOM 840 CD1 LEU A 51 -25.530 17.412 -2.252 1.00 41.31 C ATOM 841 CD2 LEU A 51 -23.586 16.390 -1.056 1.00 4.42 C ATOM 0 H LEU A 51 -20.925 18.543 -2.204 1.00 15.45 H new ATOM 0 HA LEU A 51 -23.089 17.276 -3.588 1.00 31.43 H new ATOM 0 HB2 LEU A 51 -22.631 18.979 -1.281 1.00 51.50 H new ATOM 0 HB3 LEU A 51 -23.967 19.602 -2.229 1.00 51.50 H new ATOM 0 HG LEU A 51 -24.690 18.100 -0.416 1.00 74.33 H new ATOM 0 HD11 LEU A 51 -26.185 16.685 -1.772 1.00 41.31 H new ATOM 0 HD12 LEU A 51 -26.077 18.340 -2.418 1.00 41.31 H new ATOM 0 HD13 LEU A 51 -25.188 17.017 -3.209 1.00 41.31 H new ATOM 0 HD21 LEU A 51 -24.268 15.677 -0.593 1.00 4.42 H new ATOM 0 HD22 LEU A 51 -23.197 15.970 -1.983 1.00 4.42 H new ATOM 0 HD23 LEU A 51 -22.759 16.596 -0.376 1.00 4.42 H new ATOM 853 N PHE A 52 -22.035 20.161 -4.626 1.00 4.40 N ATOM 854 CA PHE A 52 -22.176 21.170 -5.670 1.00 31.22 C ATOM 855 C PHE A 52 -21.579 20.678 -6.985 1.00 40.53 C ATOM 856 O PHE A 52 -22.086 20.988 -8.064 1.00 20.12 O ATOM 857 CB PHE A 52 -21.498 22.474 -5.244 1.00 64.43 C ATOM 858 CG PHE A 52 -21.963 23.673 -6.020 1.00 61.52 C ATOM 859 CD1 PHE A 52 -23.129 24.332 -5.668 1.00 13.21 C ATOM 860 CD2 PHE A 52 -21.234 24.140 -7.101 1.00 44.25 C ATOM 861 CE1 PHE A 52 -23.560 25.435 -6.381 1.00 0.12 C ATOM 862 CE2 PHE A 52 -21.659 25.243 -7.818 1.00 11.01 C ATOM 863 CZ PHE A 52 -22.823 25.892 -7.456 1.00 74.23 C ATOM 0 H PHE A 52 -21.170 20.228 -4.090 1.00 4.40 H new ATOM 0 HA PHE A 52 -23.240 21.355 -5.821 1.00 31.22 H new ATOM 0 HB2 PHE A 52 -21.686 22.642 -4.184 1.00 64.43 H new ATOM 0 HB3 PHE A 52 -20.420 22.369 -5.364 1.00 64.43 H new ATOM 0 HD1 PHE A 52 -23.708 23.980 -4.827 1.00 13.21 H new ATOM 0 HD2 PHE A 52 -20.322 23.636 -7.387 1.00 44.25 H new ATOM 0 HE1 PHE A 52 -24.472 25.939 -6.098 1.00 0.12 H new ATOM 0 HE2 PHE A 52 -21.082 25.596 -8.660 1.00 11.01 H new ATOM 0 HZ PHE A 52 -23.156 26.755 -8.013 1.00 74.23 H new ATOM 873 N TYR A 53 -20.499 19.912 -6.888 1.00 23.24 N ATOM 874 CA TYR A 53 -19.830 19.380 -8.069 1.00 22.52 C ATOM 875 C TYR A 53 -20.650 18.259 -8.701 1.00 51.30 C ATOM 876 O TYR A 53 -20.875 18.246 -9.912 1.00 34.31 O ATOM 877 CB TYR A 53 -18.437 18.863 -7.703 1.00 13.11 C ATOM 878 CG TYR A 53 -17.464 18.875 -8.860 1.00 3.23 C ATOM 879 CD1 TYR A 53 -17.742 18.188 -10.035 1.00 3.22 C ATOM 880 CD2 TYR A 53 -16.266 19.575 -8.778 1.00 20.14 C ATOM 881 CE1 TYR A 53 -16.855 18.196 -11.094 1.00 24.03 C ATOM 882 CE2 TYR A 53 -15.374 19.590 -9.832 1.00 64.51 C ATOM 883 CZ TYR A 53 -15.672 18.898 -10.988 1.00 11.23 C ATOM 884 OH TYR A 53 -14.787 18.910 -12.041 1.00 25.41 O ATOM 0 H TYR A 53 -20.068 19.645 -6.003 1.00 23.24 H new ATOM 0 HA TYR A 53 -19.732 20.188 -8.794 1.00 22.52 H new ATOM 0 HB2 TYR A 53 -18.034 19.472 -6.894 1.00 13.11 H new ATOM 0 HB3 TYR A 53 -18.525 17.845 -7.323 1.00 13.11 H new ATOM 0 HD1 TYR A 53 -18.667 17.638 -10.122 1.00 3.22 H new ATOM 0 HD2 TYR A 53 -16.029 20.117 -7.874 1.00 20.14 H new ATOM 0 HE1 TYR A 53 -17.086 17.656 -12.000 1.00 24.03 H new ATOM 0 HE2 TYR A 53 -14.448 20.140 -9.752 1.00 64.51 H new ATOM 0 HH TYR A 53 -13.871 18.842 -11.699 1.00 25.41 H new ATOM 894 N LEU A 54 -21.095 17.321 -7.873 1.00 21.14 N ATOM 895 CA LEU A 54 -21.892 16.195 -8.348 1.00 44.34 C ATOM 896 C LEU A 54 -23.188 16.679 -8.991 1.00 64.34 C ATOM 897 O LEU A 54 -23.700 16.058 -9.923 1.00 64.50 O ATOM 898 CB LEU A 54 -22.206 15.243 -7.193 1.00 52.22 C ATOM 899 CG LEU A 54 -22.845 13.908 -7.578 1.00 43.35 C ATOM 900 CD1 LEU A 54 -22.310 12.788 -6.701 1.00 24.42 C ATOM 901 CD2 LEU A 54 -24.361 13.992 -7.474 1.00 44.42 C ATOM 0 H LEU A 54 -20.918 17.317 -6.869 1.00 21.14 H new ATOM 0 HA LEU A 54 -21.311 15.662 -9.101 1.00 44.34 H new ATOM 0 HB2 LEU A 54 -21.280 15.038 -6.656 1.00 52.22 H new ATOM 0 HB3 LEU A 54 -22.872 15.754 -6.498 1.00 52.22 H new ATOM 0 HG LEU A 54 -22.584 13.687 -8.613 1.00 43.35 H new ATOM 0 HD11 LEU A 54 -22.776 11.846 -6.989 1.00 24.42 H new ATOM 0 HD12 LEU A 54 -21.230 12.712 -6.826 1.00 24.42 H new ATOM 0 HD13 LEU A 54 -22.540 13.002 -5.657 1.00 24.42 H new ATOM 0 HD21 LEU A 54 -24.798 13.033 -7.752 1.00 44.42 H new ATOM 0 HD22 LEU A 54 -24.642 14.236 -6.450 1.00 44.42 H new ATOM 0 HD23 LEU A 54 -24.729 14.767 -8.146 1.00 44.42 H new ATOM 913 N TYR A 55 -23.712 17.791 -8.489 1.00 44.24 N ATOM 914 CA TYR A 55 -24.948 18.358 -9.015 1.00 11.35 C ATOM 915 C TYR A 55 -24.698 19.085 -10.333 1.00 24.25 C ATOM 916 O TYR A 55 -25.427 18.897 -11.306 1.00 1.03 O ATOM 917 CB TYR A 55 -25.565 19.321 -7.998 1.00 25.30 C ATOM 918 CG TYR A 55 -27.045 19.551 -8.202 1.00 61.52 C ATOM 919 CD1 TYR A 55 -27.516 20.212 -9.330 1.00 30.40 C ATOM 920 CD2 TYR A 55 -27.972 19.108 -7.267 1.00 74.34 C ATOM 921 CE1 TYR A 55 -28.868 20.425 -9.521 1.00 24.44 C ATOM 922 CE2 TYR A 55 -29.326 19.315 -7.451 1.00 21.25 C ATOM 923 CZ TYR A 55 -29.769 19.974 -8.578 1.00 65.14 C ATOM 924 OH TYR A 55 -31.116 20.184 -8.764 1.00 21.52 O ATOM 0 H TYR A 55 -23.300 18.318 -7.719 1.00 44.24 H new ATOM 0 HA TYR A 55 -25.643 17.539 -9.199 1.00 11.35 H new ATOM 0 HB2 TYR A 55 -25.402 18.929 -6.994 1.00 25.30 H new ATOM 0 HB3 TYR A 55 -25.046 20.278 -8.055 1.00 25.30 H new ATOM 0 HD1 TYR A 55 -26.813 20.565 -10.070 1.00 30.40 H new ATOM 0 HD2 TYR A 55 -27.629 18.593 -6.382 1.00 74.34 H new ATOM 0 HE1 TYR A 55 -29.217 20.941 -10.403 1.00 24.44 H new ATOM 0 HE2 TYR A 55 -30.034 18.962 -6.715 1.00 21.25 H new ATOM 0 HH TYR A 55 -31.613 19.804 -8.010 1.00 21.52 H new ATOM 934 N MET A 56 -23.660 19.915 -10.355 1.00 61.20 N ATOM 935 CA MET A 56 -23.311 20.669 -11.553 1.00 62.25 C ATOM 936 C MET A 56 -23.018 19.731 -12.720 1.00 74.41 C ATOM 937 O MET A 56 -23.367 20.020 -13.865 1.00 50.35 O ATOM 938 CB MET A 56 -22.098 21.561 -11.285 1.00 44.31 C ATOM 939 CG MET A 56 -21.700 22.420 -12.475 1.00 23.13 C ATOM 940 SD MET A 56 -20.806 23.909 -11.989 1.00 20.41 S ATOM 941 CE MET A 56 -19.363 23.196 -11.204 1.00 25.13 C ATOM 0 H MET A 56 -23.047 20.082 -9.557 1.00 61.20 H new ATOM 0 HA MET A 56 -24.163 21.296 -11.818 1.00 62.25 H new ATOM 0 HB2 MET A 56 -22.315 22.209 -10.436 1.00 44.31 H new ATOM 0 HB3 MET A 56 -21.253 20.935 -11.001 1.00 44.31 H new ATOM 0 HG2 MET A 56 -21.079 21.832 -13.151 1.00 23.13 H new ATOM 0 HG3 MET A 56 -22.595 22.703 -13.029 1.00 23.13 H new ATOM 0 HE1 MET A 56 -18.653 23.987 -10.961 1.00 25.13 H new ATOM 0 HE2 MET A 56 -19.662 22.683 -10.290 1.00 25.13 H new ATOM 0 HE3 MET A 56 -18.894 22.484 -11.883 1.00 25.13 H new ATOM 951 N LEU A 57 -22.377 18.606 -12.423 1.00 4.24 N ATOM 952 CA LEU A 57 -22.037 17.625 -13.447 1.00 40.03 C ATOM 953 C LEU A 57 -23.296 17.022 -14.063 1.00 2.34 C ATOM 954 O LEU A 57 -23.428 16.948 -15.284 1.00 52.33 O ATOM 955 CB LEU A 57 -21.166 16.517 -12.852 1.00 1.40 C ATOM 956 CG LEU A 57 -20.518 15.561 -13.854 1.00 53.11 C ATOM 957 CD1 LEU A 57 -19.110 16.021 -14.197 1.00 40.14 C ATOM 958 CD2 LEU A 57 -20.499 14.143 -13.302 1.00 5.21 C ATOM 0 H LEU A 57 -22.082 18.351 -11.481 1.00 4.24 H new ATOM 0 HA LEU A 57 -21.479 18.135 -14.232 1.00 40.03 H new ATOM 0 HB2 LEU A 57 -20.377 16.981 -12.261 1.00 1.40 H new ATOM 0 HB3 LEU A 57 -21.777 15.932 -12.165 1.00 1.40 H new ATOM 0 HG LEU A 57 -21.112 15.566 -14.768 1.00 53.11 H new ATOM 0 HD11 LEU A 57 -18.665 15.328 -14.911 1.00 40.14 H new ATOM 0 HD12 LEU A 57 -19.150 17.018 -14.635 1.00 40.14 H new ATOM 0 HD13 LEU A 57 -18.505 16.047 -13.291 1.00 40.14 H new ATOM 0 HD21 LEU A 57 -20.034 13.476 -14.028 1.00 5.21 H new ATOM 0 HD22 LEU A 57 -19.929 14.122 -12.373 1.00 5.21 H new ATOM 0 HD23 LEU A 57 -21.520 13.814 -13.109 1.00 5.21 H new ATOM 970 N VAL A 58 -24.220 16.594 -13.208 1.00 5.21 N ATOM 971 CA VAL A 58 -25.470 16.001 -13.667 1.00 42.12 C ATOM 972 C VAL A 58 -26.253 16.976 -14.538 1.00 53.34 C ATOM 973 O VAL A 58 -26.696 16.628 -15.633 1.00 24.03 O ATOM 974 CB VAL A 58 -26.352 15.565 -12.483 1.00 33.33 C ATOM 975 CG1 VAL A 58 -27.638 14.924 -12.982 1.00 54.34 C ATOM 976 CG2 VAL A 58 -25.591 14.612 -11.574 1.00 24.30 C ATOM 0 H VAL A 58 -24.126 16.647 -12.194 1.00 5.21 H new ATOM 0 HA VAL A 58 -25.206 15.123 -14.256 1.00 42.12 H new ATOM 0 HB VAL A 58 -26.616 16.450 -11.905 1.00 33.33 H new ATOM 0 HG11 VAL A 58 -28.248 14.622 -12.131 1.00 54.34 H new ATOM 0 HG12 VAL A 58 -28.191 15.641 -13.589 1.00 54.34 H new ATOM 0 HG13 VAL A 58 -27.398 14.048 -13.585 1.00 54.34 H new ATOM 0 HG21 VAL A 58 -26.230 14.314 -10.743 1.00 24.30 H new ATOM 0 HG22 VAL A 58 -25.296 13.728 -12.139 1.00 24.30 H new ATOM 0 HG23 VAL A 58 -24.702 15.110 -11.188 1.00 24.30 H new ATOM 986 N GLN A 59 -26.421 18.199 -14.045 1.00 45.11 N ATOM 987 CA GLN A 59 -27.151 19.225 -14.779 1.00 54.24 C ATOM 988 C GLN A 59 -26.483 19.516 -16.119 1.00 51.10 C ATOM 989 O GLN A 59 -27.155 19.796 -17.112 1.00 45.23 O ATOM 990 CB GLN A 59 -27.241 20.508 -13.951 1.00 52.35 C ATOM 991 CG GLN A 59 -27.879 21.670 -14.696 1.00 74.45 C ATOM 992 CD GLN A 59 -26.858 22.664 -15.212 1.00 0.44 C ATOM 993 OE1 GLN A 59 -26.031 22.338 -16.064 1.00 31.25 O ATOM 994 NE2 GLN A 59 -26.910 23.887 -14.696 1.00 50.13 N ATOM 0 H GLN A 59 -26.061 18.503 -13.140 1.00 45.11 H new ATOM 0 HA GLN A 59 -28.158 18.853 -14.969 1.00 54.24 H new ATOM 0 HB2 GLN A 59 -27.816 20.307 -13.047 1.00 52.35 H new ATOM 0 HB3 GLN A 59 -26.239 20.797 -13.634 1.00 52.35 H new ATOM 0 HG2 GLN A 59 -28.460 21.284 -15.534 1.00 74.45 H new ATOM 0 HG3 GLN A 59 -28.576 22.182 -14.033 1.00 74.45 H new ATOM 0 HE21 GLN A 59 -27.612 24.114 -13.992 1.00 50.13 H new ATOM 0 HE22 GLN A 59 -26.248 24.599 -15.004 1.00 50.13 H new ATOM 1003 N LYS A 60 -25.156 19.448 -16.140 1.00 13.43 N ATOM 1004 CA LYS A 60 -24.396 19.703 -17.357 1.00 44.42 C ATOM 1005 C LYS A 60 -24.612 18.590 -18.377 1.00 50.23 C ATOM 1006 O LYS A 60 -24.669 18.840 -19.581 1.00 51.44 O ATOM 1007 CB LYS A 60 -22.905 19.831 -17.034 1.00 51.15 C ATOM 1008 CG LYS A 60 -22.026 19.970 -18.265 1.00 40.33 C ATOM 1009 CD LYS A 60 -22.371 21.220 -19.058 1.00 63.33 C ATOM 1010 CE LYS A 60 -21.670 21.234 -20.408 1.00 42.21 C ATOM 1011 NZ LYS A 60 -22.141 22.357 -21.266 1.00 30.41 N ATOM 0 H LYS A 60 -24.585 19.218 -15.327 1.00 13.43 H new ATOM 0 HA LYS A 60 -24.750 20.640 -17.787 1.00 44.42 H new ATOM 0 HB2 LYS A 60 -22.754 20.698 -16.390 1.00 51.15 H new ATOM 0 HB3 LYS A 60 -22.588 18.955 -16.468 1.00 51.15 H new ATOM 0 HG2 LYS A 60 -20.979 20.007 -17.964 1.00 40.33 H new ATOM 0 HG3 LYS A 60 -22.145 19.091 -18.899 1.00 40.33 H new ATOM 0 HD2 LYS A 60 -23.450 21.272 -19.206 1.00 63.33 H new ATOM 0 HD3 LYS A 60 -22.084 22.104 -18.489 1.00 63.33 H new ATOM 0 HE2 LYS A 60 -20.594 21.319 -20.258 1.00 42.21 H new ATOM 0 HE3 LYS A 60 -21.847 20.288 -20.919 1.00 42.21 H new ATOM 0 HZ1 LYS A 60 -21.640 22.332 -22.177 1.00 30.41 H new ATOM 0 HZ2 LYS A 60 -23.163 22.263 -21.431 1.00 30.41 H new ATOM 0 HZ3 LYS A 60 -21.949 23.262 -20.790 1.00 30.41 H new ATOM 1025 N PHE A 61 -24.733 17.361 -17.888 1.00 33.32 N ATOM 1026 CA PHE A 61 -24.944 16.209 -18.757 1.00 52.01 C ATOM 1027 C PHE A 61 -26.385 16.162 -19.258 1.00 2.30 C ATOM 1028 O PHE A 61 -26.725 15.363 -20.129 1.00 33.22 O ATOM 1029 CB PHE A 61 -24.608 14.914 -18.014 1.00 54.23 C ATOM 1030 CG PHE A 61 -23.178 14.486 -18.173 1.00 24.10 C ATOM 1031 CD1 PHE A 61 -22.704 14.045 -19.398 1.00 53.23 C ATOM 1032 CD2 PHE A 61 -22.306 14.523 -17.097 1.00 1.55 C ATOM 1033 CE1 PHE A 61 -21.388 13.651 -19.548 1.00 30.31 C ATOM 1034 CE2 PHE A 61 -20.989 14.131 -17.240 1.00 63.32 C ATOM 1035 CZ PHE A 61 -20.529 13.693 -18.467 1.00 74.40 C ATOM 0 H PHE A 61 -24.689 17.137 -16.894 1.00 33.32 H new ATOM 0 HA PHE A 61 -24.282 16.308 -19.617 1.00 52.01 H new ATOM 0 HB2 PHE A 61 -24.824 15.046 -16.954 1.00 54.23 H new ATOM 0 HB3 PHE A 61 -25.259 14.118 -18.375 1.00 54.23 H new ATOM 0 HD1 PHE A 61 -23.371 14.009 -20.246 1.00 53.23 H new ATOM 0 HD2 PHE A 61 -22.660 14.862 -16.135 1.00 1.55 H new ATOM 0 HE1 PHE A 61 -21.032 13.311 -20.509 1.00 30.31 H new ATOM 0 HE2 PHE A 61 -20.320 14.167 -16.393 1.00 63.32 H new ATOM 0 HZ PHE A 61 -19.500 13.384 -18.581 1.00 74.40 H new ATOM 1045 N GLY A 62 -27.228 17.026 -18.700 1.00 4.13 N ATOM 1046 CA GLY A 62 -28.622 17.067 -19.101 1.00 3.11 C ATOM 1047 C GLY A 62 -29.522 16.309 -18.146 1.00 73.43 C ATOM 1048 O GLY A 62 -30.626 15.905 -18.511 1.00 43.11 O ATOM 0 H GLY A 62 -26.970 17.698 -17.977 1.00 4.13 H new ATOM 0 HA2 GLY A 62 -28.950 18.105 -19.158 1.00 3.11 H new ATOM 0 HA3 GLY A 62 -28.722 16.646 -20.101 1.00 3.11 H new ATOM 1052 N GLY A 63 -29.050 16.112 -16.919 1.00 1.51 N ATOM 1053 CA GLY A 63 -29.832 15.396 -15.929 1.00 13.03 C ATOM 1054 C GLY A 63 -29.495 13.919 -15.881 1.00 41.00 C ATOM 1055 O GLY A 63 -29.021 13.352 -16.865 1.00 24.22 O ATOM 0 H GLY A 63 -28.139 16.436 -16.593 1.00 1.51 H new ATOM 0 HA2 GLY A 63 -29.660 15.837 -14.947 1.00 13.03 H new ATOM 0 HA3 GLY A 63 -30.892 15.516 -16.152 1.00 13.03 H new ATOM 1059 N ALA A 64 -29.738 13.295 -14.733 1.00 73.23 N ATOM 1060 CA ALA A 64 -29.457 11.875 -14.561 1.00 74.25 C ATOM 1061 C ALA A 64 -30.080 11.052 -15.685 1.00 4.33 C ATOM 1062 O ALA A 64 -29.539 10.021 -16.084 1.00 72.22 O ATOM 1063 CB ALA A 64 -29.966 11.396 -13.210 1.00 10.02 C ATOM 0 H ALA A 64 -30.129 13.751 -13.908 1.00 73.23 H new ATOM 0 HA ALA A 64 -28.377 11.737 -14.600 1.00 74.25 H new ATOM 0 HB1 ALA A 64 -29.749 10.334 -13.095 1.00 10.02 H new ATOM 0 HB2 ALA A 64 -29.471 11.955 -12.416 1.00 10.02 H new ATOM 0 HB3 ALA A 64 -31.043 11.555 -13.150 1.00 10.02 H new ATOM 1069 N ASP A 65 -31.218 11.515 -16.189 1.00 72.42 N ATOM 1070 CA ASP A 65 -31.914 10.821 -17.267 1.00 50.42 C ATOM 1071 C ASP A 65 -31.076 10.819 -18.542 1.00 22.12 C ATOM 1072 O ASP A 65 -31.068 9.840 -19.288 1.00 3.22 O ATOM 1073 CB ASP A 65 -33.269 11.479 -17.534 1.00 42.12 C ATOM 1074 CG ASP A 65 -34.424 10.510 -17.375 1.00 11.43 C ATOM 1075 OD1 ASP A 65 -34.782 10.198 -16.219 1.00 63.15 O ATOM 1076 OD2 ASP A 65 -34.971 10.065 -18.405 1.00 52.51 O ATOM 0 H ASP A 65 -31.678 12.367 -15.869 1.00 72.42 H new ATOM 0 HA ASP A 65 -32.075 9.788 -16.957 1.00 50.42 H new ATOM 0 HB2 ASP A 65 -33.404 12.316 -16.850 1.00 42.12 H new ATOM 0 HB3 ASP A 65 -33.278 11.888 -18.544 1.00 42.12 H new ATOM 1081 N GLN A 66 -30.373 11.921 -18.784 1.00 75.23 N ATOM 1082 CA GLN A 66 -29.534 12.045 -19.970 1.00 3.52 C ATOM 1083 C GLN A 66 -28.339 11.101 -19.892 1.00 61.23 C ATOM 1084 O GLN A 66 -27.923 10.525 -20.898 1.00 34.11 O ATOM 1085 CB GLN A 66 -29.049 13.488 -20.128 1.00 73.32 C ATOM 1086 CG GLN A 66 -28.748 13.874 -21.567 1.00 60.33 C ATOM 1087 CD GLN A 66 -29.413 15.174 -21.974 1.00 60.22 C ATOM 1088 OE1 GLN A 66 -30.611 15.365 -21.763 1.00 21.43 O ATOM 1089 NE2 GLN A 66 -28.637 16.077 -22.562 1.00 13.30 N ATOM 0 H GLN A 66 -30.368 12.740 -18.175 1.00 75.23 H new ATOM 0 HA GLN A 66 -30.133 11.773 -20.839 1.00 3.52 H new ATOM 0 HB2 GLN A 66 -29.807 14.163 -19.730 1.00 73.32 H new ATOM 0 HB3 GLN A 66 -28.150 13.628 -19.527 1.00 73.32 H new ATOM 0 HG2 GLN A 66 -27.670 13.966 -21.696 1.00 60.33 H new ATOM 0 HG3 GLN A 66 -29.082 13.076 -22.231 1.00 60.33 H new ATOM 0 HE21 GLN A 66 -27.649 15.877 -22.717 1.00 13.30 H new ATOM 0 HE22 GLN A 66 -29.029 16.971 -22.858 1.00 13.30 H new ATOM 1098 N VAL A 67 -27.790 10.946 -18.692 1.00 2.34 N ATOM 1099 CA VAL A 67 -26.643 10.071 -18.482 1.00 62.25 C ATOM 1100 C VAL A 67 -27.012 8.612 -18.729 1.00 53.53 C ATOM 1101 O VAL A 67 -26.208 7.834 -19.243 1.00 41.43 O ATOM 1102 CB VAL A 67 -26.082 10.212 -17.055 1.00 44.31 C ATOM 1103 CG1 VAL A 67 -24.776 9.445 -16.916 1.00 63.11 C ATOM 1104 CG2 VAL A 67 -25.888 11.679 -16.702 1.00 42.33 C ATOM 0 H VAL A 67 -28.121 11.416 -17.849 1.00 2.34 H new ATOM 0 HA VAL A 67 -25.878 10.376 -19.196 1.00 62.25 H new ATOM 0 HB VAL A 67 -26.802 9.785 -16.357 1.00 44.31 H new ATOM 0 HG11 VAL A 67 -24.395 9.556 -15.901 1.00 63.11 H new ATOM 0 HG12 VAL A 67 -24.950 8.389 -17.124 1.00 63.11 H new ATOM 0 HG13 VAL A 67 -24.046 9.839 -17.623 1.00 63.11 H new ATOM 0 HG21 VAL A 67 -25.491 11.760 -15.690 1.00 42.33 H new ATOM 0 HG22 VAL A 67 -25.188 12.133 -17.404 1.00 42.33 H new ATOM 0 HG23 VAL A 67 -26.846 12.197 -16.759 1.00 42.33 H new ATOM 1114 N THR A 68 -28.236 8.247 -18.360 1.00 30.01 N ATOM 1115 CA THR A 68 -28.713 6.882 -18.540 1.00 71.23 C ATOM 1116 C THR A 68 -29.280 6.678 -19.941 1.00 30.14 C ATOM 1117 O THR A 68 -29.242 5.572 -20.481 1.00 15.32 O ATOM 1118 CB THR A 68 -29.794 6.523 -17.504 1.00 35.03 C ATOM 1119 OG1 THR A 68 -30.219 5.168 -17.688 1.00 20.24 O ATOM 1120 CG2 THR A 68 -30.990 7.455 -17.625 1.00 15.24 C ATOM 0 H THR A 68 -28.915 8.878 -17.935 1.00 30.01 H new ATOM 0 HA THR A 68 -27.854 6.226 -18.399 1.00 71.23 H new ATOM 0 HB THR A 68 -29.364 6.636 -16.509 1.00 35.03 H new ATOM 0 HG1 THR A 68 -30.905 4.947 -17.024 1.00 20.24 H new ATOM 0 HG21 THR A 68 -31.741 7.182 -16.883 1.00 15.24 H new ATOM 0 HG22 THR A 68 -30.669 8.483 -17.455 1.00 15.24 H new ATOM 0 HG23 THR A 68 -31.419 7.369 -18.623 1.00 15.24 H new ATOM 1128 N ARG A 69 -29.804 7.751 -20.524 1.00 32.03 N ATOM 1129 CA ARG A 69 -30.380 7.689 -21.862 1.00 24.02 C ATOM 1130 C ARG A 69 -29.370 7.136 -22.863 1.00 24.42 C ATOM 1131 O ARG A 69 -29.710 6.315 -23.716 1.00 45.31 O ATOM 1132 CB ARG A 69 -30.845 9.077 -22.305 1.00 4.41 C ATOM 1133 CG ARG A 69 -31.480 9.095 -23.685 1.00 74.14 C ATOM 1134 CD ARG A 69 -30.457 9.409 -24.766 1.00 34.21 C ATOM 1135 NE ARG A 69 -30.745 10.671 -25.442 1.00 2.24 N ATOM 1136 CZ ARG A 69 -30.146 11.058 -26.563 1.00 21.34 C ATOM 1137 NH1 ARG A 69 -29.232 10.283 -27.131 1.00 1.43 N ATOM 1138 NH2 ARG A 69 -30.462 12.221 -27.118 1.00 25.13 N ATOM 0 H ARG A 69 -29.842 8.674 -20.091 1.00 32.03 H new ATOM 0 HA ARG A 69 -31.239 7.019 -21.830 1.00 24.02 H new ATOM 0 HB2 ARG A 69 -31.563 9.459 -21.579 1.00 4.41 H new ATOM 0 HB3 ARG A 69 -29.992 9.756 -22.298 1.00 4.41 H new ATOM 0 HG2 ARG A 69 -31.940 8.128 -23.888 1.00 74.14 H new ATOM 0 HG3 ARG A 69 -32.277 9.838 -23.710 1.00 74.14 H new ATOM 0 HD2 ARG A 69 -29.463 9.454 -24.322 1.00 34.21 H new ATOM 0 HD3 ARG A 69 -30.443 8.601 -25.497 1.00 34.21 H new ATOM 0 HE ARG A 69 -31.444 11.289 -25.031 1.00 2.24 H new ATOM 0 HH11 ARG A 69 -28.988 9.388 -26.707 1.00 1.43 H new ATOM 0 HH12 ARG A 69 -28.773 10.582 -27.992 1.00 1.43 H new ATOM 0 HH21 ARG A 69 -31.165 12.819 -26.684 1.00 25.13 H new ATOM 0 HH22 ARG A 69 -30.002 12.517 -27.979 1.00 25.13 H new ATOM 1152 N THR A 70 -28.125 7.590 -22.753 1.00 51.40 N ATOM 1153 CA THR A 70 -27.066 7.143 -23.649 1.00 30.14 C ATOM 1154 C THR A 70 -26.201 6.077 -22.987 1.00 64.50 C ATOM 1155 O THR A 70 -25.183 5.660 -23.540 1.00 10.12 O ATOM 1156 CB THR A 70 -26.169 8.316 -24.088 1.00 73.53 C ATOM 1157 OG1 THR A 70 -26.183 9.343 -23.091 1.00 51.44 O ATOM 1158 CG2 THR A 70 -26.638 8.886 -25.419 1.00 22.25 C ATOM 0 H THR A 70 -27.826 8.267 -22.052 1.00 51.40 H new ATOM 0 HA THR A 70 -27.553 6.719 -24.527 1.00 30.14 H new ATOM 0 HB THR A 70 -25.152 7.943 -24.209 1.00 73.53 H new ATOM 0 HG1 THR A 70 -25.609 10.084 -23.377 1.00 51.44 H new ATOM 0 HG21 THR A 70 -25.990 9.713 -25.709 1.00 22.25 H new ATOM 0 HG22 THR A 70 -26.598 8.109 -26.182 1.00 22.25 H new ATOM 0 HG23 THR A 70 -27.662 9.245 -25.320 1.00 22.25 H new ATOM 1166 N GLN A 71 -26.612 5.639 -21.802 1.00 32.45 N ATOM 1167 CA GLN A 71 -25.873 4.620 -21.065 1.00 70.03 C ATOM 1168 C GLN A 71 -24.423 5.044 -20.855 1.00 53.44 C ATOM 1169 O GLN A 71 -23.498 4.280 -21.129 1.00 0.44 O ATOM 1170 CB GLN A 71 -25.923 3.285 -21.810 1.00 72.03 C ATOM 1171 CG GLN A 71 -25.760 2.076 -20.904 1.00 34.34 C ATOM 1172 CD GLN A 71 -26.033 0.768 -21.620 1.00 72.02 C ATOM 1173 OE1 GLN A 71 -25.117 -0.011 -21.886 1.00 0.33 O ATOM 1174 NE2 GLN A 71 -27.298 0.519 -21.938 1.00 14.35 N ATOM 0 H GLN A 71 -27.453 5.973 -21.331 1.00 32.45 H new ATOM 0 HA GLN A 71 -26.343 4.501 -20.089 1.00 70.03 H new ATOM 0 HB2 GLN A 71 -26.874 3.208 -22.337 1.00 72.03 H new ATOM 0 HB3 GLN A 71 -25.138 3.271 -22.566 1.00 72.03 H new ATOM 0 HG2 GLN A 71 -24.747 2.061 -20.503 1.00 34.34 H new ATOM 0 HG3 GLN A 71 -26.437 2.169 -20.055 1.00 34.34 H new ATOM 0 HE21 GLN A 71 -28.026 1.192 -21.699 1.00 14.35 H new ATOM 0 HE22 GLN A 71 -27.542 -0.345 -22.422 1.00 14.35 H new ATOM 1183 N GLN A 72 -24.234 6.267 -20.369 1.00 72.04 N ATOM 1184 CA GLN A 72 -22.896 6.793 -20.124 1.00 74.44 C ATOM 1185 C GLN A 72 -22.598 6.847 -18.630 1.00 32.33 C ATOM 1186 O GLN A 72 -21.478 7.153 -18.221 1.00 61.43 O ATOM 1187 CB GLN A 72 -22.754 8.187 -20.736 1.00 3.52 C ATOM 1188 CG GLN A 72 -22.159 8.181 -22.135 1.00 32.41 C ATOM 1189 CD GLN A 72 -20.947 9.083 -22.258 1.00 73.14 C ATOM 1190 OE1 GLN A 72 -20.184 9.250 -21.307 1.00 2.11 O ATOM 1191 NE2 GLN A 72 -20.764 9.670 -23.435 1.00 42.41 N ATOM 0 H GLN A 72 -24.990 6.912 -20.137 1.00 72.04 H new ATOM 0 HA GLN A 72 -22.177 6.123 -20.595 1.00 74.44 H new ATOM 0 HB2 GLN A 72 -23.735 8.661 -20.770 1.00 3.52 H new ATOM 0 HB3 GLN A 72 -22.127 8.798 -20.086 1.00 3.52 H new ATOM 0 HG2 GLN A 72 -21.877 7.162 -22.401 1.00 32.41 H new ATOM 0 HG3 GLN A 72 -22.918 8.499 -22.850 1.00 32.41 H new ATOM 0 HE21 GLN A 72 -21.422 9.503 -24.196 1.00 42.41 H new ATOM 0 HE22 GLN A 72 -19.965 10.288 -23.578 1.00 42.41 H new ATOM 1200 N TRP A 73 -23.607 6.549 -17.819 1.00 71.53 N ATOM 1201 CA TRP A 73 -23.452 6.564 -16.369 1.00 74.20 C ATOM 1202 C TRP A 73 -22.342 5.615 -15.930 1.00 14.31 C ATOM 1203 O TRP A 73 -21.622 5.890 -14.971 1.00 3.43 O ATOM 1204 CB TRP A 73 -24.768 6.177 -15.691 1.00 50.52 C ATOM 1205 CG TRP A 73 -24.641 5.995 -14.209 1.00 15.51 C ATOM 1206 CD1 TRP A 73 -24.240 4.867 -13.553 1.00 44.00 C ATOM 1207 CD2 TRP A 73 -24.920 6.971 -13.199 1.00 13.12 C ATOM 1208 NE1 TRP A 73 -24.252 5.082 -12.196 1.00 2.40 N ATOM 1209 CE2 TRP A 73 -24.665 6.366 -11.953 1.00 22.41 C ATOM 1210 CE3 TRP A 73 -25.359 8.298 -13.226 1.00 22.35 C ATOM 1211 CZ2 TRP A 73 -24.835 7.042 -10.748 1.00 12.11 C ATOM 1212 CZ3 TRP A 73 -25.528 8.968 -12.029 1.00 22.43 C ATOM 1213 CH2 TRP A 73 -25.266 8.340 -10.804 1.00 23.23 C ATOM 0 H TRP A 73 -24.541 6.294 -18.141 1.00 71.53 H new ATOM 0 HA TRP A 73 -23.180 7.576 -16.068 1.00 74.20 H new ATOM 0 HB2 TRP A 73 -25.513 6.947 -15.893 1.00 50.52 H new ATOM 0 HB3 TRP A 73 -25.138 5.252 -16.133 1.00 50.52 H new ATOM 0 HD1 TRP A 73 -23.955 3.941 -14.031 1.00 44.00 H new ATOM 0 HE1 TRP A 73 -23.995 4.397 -11.485 1.00 2.40 H new ATOM 0 HE3 TRP A 73 -25.562 8.791 -14.165 1.00 22.35 H new ATOM 0 HZ2 TRP A 73 -24.634 6.560 -9.803 1.00 12.11 H new ATOM 0 HZ3 TRP A 73 -25.868 9.993 -12.038 1.00 22.43 H new ATOM 0 HH2 TRP A 73 -25.407 8.891 -9.886 1.00 23.23 H new ATOM 1224 N SER A 74 -22.210 4.498 -16.638 1.00 1.13 N ATOM 1225 CA SER A 74 -21.189 3.507 -16.318 1.00 11.10 C ATOM 1226 C SER A 74 -19.791 4.094 -16.487 1.00 22.34 C ATOM 1227 O SER A 74 -18.925 3.918 -15.630 1.00 61.11 O ATOM 1228 CB SER A 74 -21.348 2.274 -17.210 1.00 11.14 C ATOM 1229 OG SER A 74 -21.372 2.635 -18.580 1.00 1.23 O ATOM 0 H SER A 74 -22.797 4.257 -17.437 1.00 1.13 H new ATOM 0 HA SER A 74 -21.317 3.212 -15.276 1.00 11.10 H new ATOM 0 HB2 SER A 74 -20.527 1.581 -17.028 1.00 11.14 H new ATOM 0 HB3 SER A 74 -22.269 1.751 -16.952 1.00 11.14 H new ATOM 0 HG SER A 74 -21.473 1.829 -19.129 1.00 1.23 H new ATOM 1235 N MET A 75 -19.579 4.791 -17.598 1.00 2.54 N ATOM 1236 CA MET A 75 -18.286 5.406 -17.879 1.00 73.50 C ATOM 1237 C MET A 75 -18.050 6.613 -16.977 1.00 53.03 C ATOM 1238 O MET A 75 -16.981 6.759 -16.386 1.00 23.25 O ATOM 1239 CB MET A 75 -18.207 5.828 -19.347 1.00 70.44 C ATOM 1240 CG MET A 75 -17.514 4.808 -20.236 1.00 62.22 C ATOM 1241 SD MET A 75 -17.229 5.423 -21.907 1.00 64.41 S ATOM 1242 CE MET A 75 -16.460 3.994 -22.667 1.00 4.43 C ATOM 0 H MET A 75 -20.285 4.944 -18.318 1.00 2.54 H new ATOM 0 HA MET A 75 -17.509 4.668 -17.678 1.00 73.50 H new ATOM 0 HB2 MET A 75 -19.216 5.999 -19.722 1.00 70.44 H new ATOM 0 HB3 MET A 75 -17.676 6.778 -19.416 1.00 70.44 H new ATOM 0 HG2 MET A 75 -16.560 4.530 -19.788 1.00 62.22 H new ATOM 0 HG3 MET A 75 -18.120 3.903 -20.284 1.00 62.22 H new ATOM 0 HE1 MET A 75 -16.223 4.218 -23.707 1.00 4.43 H new ATOM 0 HE2 MET A 75 -15.543 3.746 -22.132 1.00 4.43 H new ATOM 0 HE3 MET A 75 -17.145 3.147 -22.625 1.00 4.43 H new ATOM 1252 N VAL A 76 -19.056 7.477 -16.877 1.00 64.03 N ATOM 1253 CA VAL A 76 -18.957 8.671 -16.047 1.00 54.51 C ATOM 1254 C VAL A 76 -18.707 8.308 -14.588 1.00 20.50 C ATOM 1255 O VAL A 76 -17.849 8.895 -13.929 1.00 54.15 O ATOM 1256 CB VAL A 76 -20.236 9.526 -16.140 1.00 24.14 C ATOM 1257 CG1 VAL A 76 -20.129 10.746 -15.238 1.00 2.13 C ATOM 1258 CG2 VAL A 76 -20.497 9.939 -17.580 1.00 62.22 C ATOM 0 H VAL A 76 -19.948 7.372 -17.360 1.00 64.03 H new ATOM 0 HA VAL A 76 -18.113 9.249 -16.424 1.00 54.51 H new ATOM 0 HB VAL A 76 -21.080 8.925 -15.800 1.00 24.14 H new ATOM 0 HG11 VAL A 76 -21.041 11.338 -15.317 1.00 2.13 H new ATOM 0 HG12 VAL A 76 -19.993 10.424 -14.205 1.00 2.13 H new ATOM 0 HG13 VAL A 76 -19.276 11.351 -15.545 1.00 2.13 H new ATOM 0 HG21 VAL A 76 -21.404 10.542 -17.627 1.00 62.22 H new ATOM 0 HG22 VAL A 76 -19.654 10.522 -17.950 1.00 62.22 H new ATOM 0 HG23 VAL A 76 -20.621 9.049 -18.197 1.00 62.22 H new ATOM 1268 N ALA A 77 -19.462 7.334 -14.089 1.00 5.02 N ATOM 1269 CA ALA A 77 -19.320 6.889 -12.708 1.00 1.41 C ATOM 1270 C ALA A 77 -17.882 6.481 -12.407 1.00 43.24 C ATOM 1271 O ALA A 77 -17.370 6.735 -11.317 1.00 54.12 O ATOM 1272 CB ALA A 77 -20.268 5.734 -12.426 1.00 35.24 C ATOM 0 H ALA A 77 -20.178 6.838 -14.620 1.00 5.02 H new ATOM 0 HA ALA A 77 -19.577 7.724 -12.056 1.00 1.41 H new ATOM 0 HB1 ALA A 77 -20.151 5.412 -11.391 1.00 35.24 H new ATOM 0 HB2 ALA A 77 -21.296 6.058 -12.591 1.00 35.24 H new ATOM 0 HB3 ALA A 77 -20.038 4.903 -13.093 1.00 35.24 H new ATOM 1278 N GLN A 78 -17.236 5.847 -13.381 1.00 4.42 N ATOM 1279 CA GLN A 78 -15.856 5.403 -13.218 1.00 54.15 C ATOM 1280 C GLN A 78 -14.921 6.592 -13.020 1.00 74.42 C ATOM 1281 O GLN A 78 -13.919 6.494 -12.312 1.00 70.21 O ATOM 1282 CB GLN A 78 -15.414 4.589 -14.435 1.00 71.44 C ATOM 1283 CG GLN A 78 -13.935 4.239 -14.428 1.00 62.43 C ATOM 1284 CD GLN A 78 -13.155 4.979 -15.497 1.00 2.13 C ATOM 1285 OE1 GLN A 78 -12.646 6.076 -15.262 1.00 71.34 O ATOM 1286 NE2 GLN A 78 -13.056 4.382 -16.679 1.00 12.23 N ATOM 0 H GLN A 78 -17.645 5.630 -14.290 1.00 4.42 H new ATOM 0 HA GLN A 78 -15.806 4.773 -12.330 1.00 54.15 H new ATOM 0 HB2 GLN A 78 -15.996 3.669 -14.477 1.00 71.44 H new ATOM 0 HB3 GLN A 78 -15.641 5.152 -15.340 1.00 71.44 H new ATOM 0 HG2 GLN A 78 -13.515 4.473 -13.450 1.00 62.43 H new ATOM 0 HG3 GLN A 78 -13.819 3.165 -14.577 1.00 62.43 H new ATOM 0 HE21 GLN A 78 -13.494 3.473 -16.829 1.00 12.23 H new ATOM 0 HE22 GLN A 78 -12.542 4.832 -17.436 1.00 12.23 H new ATOM 1295 N ARG A 79 -15.256 7.713 -13.650 1.00 60.12 N ATOM 1296 CA ARG A 79 -14.445 8.920 -13.544 1.00 72.11 C ATOM 1297 C ARG A 79 -14.311 9.358 -12.089 1.00 2.42 C ATOM 1298 O ARG A 79 -13.227 9.734 -11.640 1.00 20.12 O ATOM 1299 CB ARG A 79 -15.061 10.048 -14.373 1.00 54.31 C ATOM 1300 CG ARG A 79 -14.042 11.048 -14.894 1.00 41.10 C ATOM 1301 CD ARG A 79 -13.741 10.821 -16.367 1.00 71.32 C ATOM 1302 NE ARG A 79 -14.647 11.571 -17.233 1.00 31.31 N ATOM 1303 CZ ARG A 79 -14.628 12.894 -17.346 1.00 43.15 C ATOM 1304 NH1 ARG A 79 -13.753 13.610 -16.653 1.00 60.50 N ATOM 1305 NH2 ARG A 79 -15.484 13.504 -18.155 1.00 54.44 N ATOM 0 H ARG A 79 -16.083 7.811 -14.239 1.00 60.12 H new ATOM 0 HA ARG A 79 -13.451 8.695 -13.931 1.00 72.11 H new ATOM 0 HB2 ARG A 79 -15.597 9.615 -15.218 1.00 54.31 H new ATOM 0 HB3 ARG A 79 -15.796 10.575 -13.765 1.00 54.31 H new ATOM 0 HG2 ARG A 79 -14.418 12.061 -14.750 1.00 41.10 H new ATOM 0 HG3 ARG A 79 -13.121 10.965 -14.316 1.00 41.10 H new ATOM 0 HD2 ARG A 79 -12.713 11.116 -16.576 1.00 71.32 H new ATOM 0 HD3 ARG A 79 -13.820 9.758 -16.593 1.00 71.32 H new ATOM 0 HE ARG A 79 -15.332 11.050 -17.781 1.00 31.31 H new ATOM 0 HH11 ARG A 79 -13.092 13.145 -16.031 1.00 60.50 H new ATOM 0 HH12 ARG A 79 -13.741 14.626 -16.742 1.00 60.50 H new ATOM 0 HH21 ARG A 79 -16.158 12.957 -18.691 1.00 54.44 H new ATOM 0 HH22 ARG A 79 -15.469 14.520 -18.241 1.00 54.44 H new ATOM 1319 N LEU A 80 -15.418 9.309 -11.357 1.00 33.21 N ATOM 1320 CA LEU A 80 -15.425 9.701 -9.952 1.00 0.22 C ATOM 1321 C LEU A 80 -15.297 8.481 -9.045 1.00 52.41 C ATOM 1322 O LEU A 80 -15.206 8.611 -7.825 1.00 24.13 O ATOM 1323 CB LEU A 80 -16.709 10.464 -9.621 1.00 41.32 C ATOM 1324 CG LEU A 80 -18.002 9.880 -10.191 1.00 13.35 C ATOM 1325 CD1 LEU A 80 -19.164 10.132 -9.242 1.00 53.14 C ATOM 1326 CD2 LEU A 80 -18.294 10.469 -11.563 1.00 74.11 C ATOM 0 H LEU A 80 -16.323 9.002 -11.713 1.00 33.21 H new ATOM 0 HA LEU A 80 -14.568 10.352 -9.778 1.00 0.22 H new ATOM 0 HB2 LEU A 80 -16.806 10.519 -8.537 1.00 41.32 H new ATOM 0 HB3 LEU A 80 -16.604 11.486 -9.984 1.00 41.32 H new ATOM 0 HG LEU A 80 -17.875 8.803 -10.300 1.00 13.35 H new ATOM 0 HD11 LEU A 80 -20.076 9.710 -9.664 1.00 53.14 H new ATOM 0 HD12 LEU A 80 -18.957 9.662 -8.281 1.00 53.14 H new ATOM 0 HD13 LEU A 80 -19.292 11.205 -9.101 1.00 53.14 H new ATOM 0 HD21 LEU A 80 -19.218 10.042 -11.953 1.00 74.11 H new ATOM 0 HD22 LEU A 80 -18.401 11.550 -11.479 1.00 74.11 H new ATOM 0 HD23 LEU A 80 -17.472 10.237 -12.241 1.00 74.11 H new ATOM 1338 N GLN A 81 -15.290 7.298 -9.651 1.00 4.41 N ATOM 1339 CA GLN A 81 -15.171 6.056 -8.897 1.00 72.45 C ATOM 1340 C GLN A 81 -16.375 5.857 -7.982 1.00 41.12 C ATOM 1341 O GLN A 81 -16.223 5.567 -6.795 1.00 60.33 O ATOM 1342 CB GLN A 81 -13.883 6.055 -8.073 1.00 0.33 C ATOM 1343 CG GLN A 81 -13.468 4.674 -7.593 1.00 33.15 C ATOM 1344 CD GLN A 81 -12.216 4.168 -8.281 1.00 2.41 C ATOM 1345 OE1 GLN A 81 -12.105 4.216 -9.506 1.00 43.23 O ATOM 1346 NE2 GLN A 81 -11.264 3.680 -7.494 1.00 43.24 N ATOM 0 H GLN A 81 -15.365 7.174 -10.661 1.00 4.41 H new ATOM 0 HA GLN A 81 -15.138 5.231 -9.609 1.00 72.45 H new ATOM 0 HB2 GLN A 81 -13.078 6.479 -8.673 1.00 0.33 H new ATOM 0 HB3 GLN A 81 -14.014 6.706 -7.209 1.00 0.33 H new ATOM 0 HG2 GLN A 81 -13.300 4.703 -6.516 1.00 33.15 H new ATOM 0 HG3 GLN A 81 -14.283 3.972 -7.769 1.00 33.15 H new ATOM 0 HE21 GLN A 81 -11.399 3.660 -6.483 1.00 43.24 H new ATOM 0 HE22 GLN A 81 -10.398 3.326 -7.900 1.00 43.24 H new ATOM 1355 N ILE A 82 -17.570 6.016 -8.542 1.00 23.05 N ATOM 1356 CA ILE A 82 -18.799 5.853 -7.775 1.00 40.33 C ATOM 1357 C ILE A 82 -19.477 4.526 -8.098 1.00 64.05 C ATOM 1358 O ILE A 82 -20.188 3.962 -7.267 1.00 61.12 O ATOM 1359 CB ILE A 82 -19.788 7.002 -8.048 1.00 33.30 C ATOM 1360 CG1 ILE A 82 -20.994 6.898 -7.111 1.00 41.45 C ATOM 1361 CG2 ILE A 82 -20.237 6.981 -9.502 1.00 24.34 C ATOM 1362 CD1 ILE A 82 -21.599 8.238 -6.756 1.00 55.20 C ATOM 0 H ILE A 82 -17.713 6.257 -9.523 1.00 23.05 H new ATOM 0 HA ILE A 82 -18.519 5.867 -6.722 1.00 40.33 H new ATOM 0 HB ILE A 82 -19.283 7.949 -7.858 1.00 33.30 H new ATOM 0 HG12 ILE A 82 -21.757 6.277 -7.581 1.00 41.45 H new ATOM 0 HG13 ILE A 82 -20.690 6.391 -6.195 1.00 41.45 H new ATOM 0 HG21 ILE A 82 -20.935 7.799 -9.679 1.00 24.34 H new ATOM 0 HG22 ILE A 82 -19.370 7.097 -10.152 1.00 24.34 H new ATOM 0 HG23 ILE A 82 -20.728 6.032 -9.718 1.00 24.34 H new ATOM 0 HD11 ILE A 82 -22.449 8.089 -6.090 1.00 55.20 H new ATOM 0 HD12 ILE A 82 -20.851 8.854 -6.258 1.00 55.20 H new ATOM 0 HD13 ILE A 82 -21.934 8.738 -7.665 1.00 55.20 H new ATOM 1374 N SER A 83 -19.249 4.032 -9.311 1.00 73.42 N ATOM 1375 CA SER A 83 -19.839 2.771 -9.746 1.00 34.14 C ATOM 1376 C SER A 83 -18.873 1.998 -10.638 1.00 20.43 C ATOM 1377 O SER A 83 -19.085 1.879 -11.845 1.00 22.23 O ATOM 1378 CB SER A 83 -21.148 3.027 -10.495 1.00 15.44 C ATOM 1379 OG SER A 83 -21.890 4.069 -9.883 1.00 73.42 O ATOM 0 H SER A 83 -18.660 4.485 -10.010 1.00 73.42 H new ATOM 0 HA SER A 83 -20.047 2.171 -8.860 1.00 34.14 H new ATOM 0 HB2 SER A 83 -20.933 3.289 -11.531 1.00 15.44 H new ATOM 0 HB3 SER A 83 -21.744 2.115 -10.514 1.00 15.44 H new ATOM 0 HG SER A 83 -22.843 3.839 -9.888 1.00 73.42 H new ATOM 1385 N ASP A 84 -17.812 1.474 -10.035 1.00 24.24 N ATOM 1386 CA ASP A 84 -16.812 0.711 -10.773 1.00 21.43 C ATOM 1387 C ASP A 84 -17.031 -0.788 -10.593 1.00 70.33 C ATOM 1388 O ASP A 84 -16.158 -1.498 -10.094 1.00 21.25 O ATOM 1389 CB ASP A 84 -15.405 1.092 -10.310 1.00 64.15 C ATOM 1390 CG ASP A 84 -14.791 2.185 -11.163 1.00 73.14 C ATOM 1391 OD1 ASP A 84 -14.831 2.060 -12.405 1.00 41.32 O ATOM 1392 OD2 ASP A 84 -14.271 3.165 -10.589 1.00 70.52 O ATOM 0 H ASP A 84 -17.622 1.564 -9.037 1.00 24.24 H new ATOM 0 HA ASP A 84 -16.916 0.951 -11.831 1.00 21.43 H new ATOM 0 HB2 ASP A 84 -15.444 1.424 -9.272 1.00 64.15 H new ATOM 0 HB3 ASP A 84 -14.765 0.210 -10.339 1.00 64.15 H new ATOM 1397 N TYR A 85 -18.202 -1.263 -11.003 1.00 10.10 N ATOM 1398 CA TYR A 85 -18.538 -2.677 -10.884 1.00 45.12 C ATOM 1399 C TYR A 85 -18.806 -3.053 -9.430 1.00 42.12 C ATOM 1400 O TYR A 85 -19.337 -2.254 -8.660 1.00 2.24 O ATOM 1401 CB TYR A 85 -17.406 -3.540 -11.445 1.00 51.15 C ATOM 1402 CG TYR A 85 -17.889 -4.783 -12.158 1.00 51.22 C ATOM 1403 CD1 TYR A 85 -18.877 -4.710 -13.132 1.00 53.40 C ATOM 1404 CD2 TYR A 85 -17.356 -6.031 -11.858 1.00 52.53 C ATOM 1405 CE1 TYR A 85 -19.322 -5.843 -13.785 1.00 50.30 C ATOM 1406 CE2 TYR A 85 -17.794 -7.169 -12.507 1.00 42.13 C ATOM 1407 CZ TYR A 85 -18.777 -7.070 -13.469 1.00 51.15 C ATOM 1408 OH TYR A 85 -19.216 -8.201 -14.119 1.00 14.13 O ATOM 0 H TYR A 85 -18.935 -0.689 -11.421 1.00 10.10 H new ATOM 0 HA TYR A 85 -19.445 -2.859 -11.460 1.00 45.12 H new ATOM 0 HB2 TYR A 85 -16.813 -2.942 -12.137 1.00 51.15 H new ATOM 0 HB3 TYR A 85 -16.745 -3.833 -10.629 1.00 51.15 H new ATOM 0 HD1 TYR A 85 -19.305 -3.751 -13.383 1.00 53.40 H new ATOM 0 HD2 TYR A 85 -16.586 -6.112 -11.105 1.00 52.53 H new ATOM 0 HE1 TYR A 85 -20.092 -5.769 -14.539 1.00 50.30 H new ATOM 0 HE2 TYR A 85 -17.369 -8.131 -12.262 1.00 42.13 H new ATOM 0 HH TYR A 85 -18.730 -8.982 -13.781 1.00 14.13 H new ATOM 1418 N GLN A 86 -18.434 -4.275 -9.064 1.00 24.13 N ATOM 1419 CA GLN A 86 -18.634 -4.758 -7.702 1.00 42.05 C ATOM 1420 C GLN A 86 -18.109 -3.751 -6.685 1.00 2.42 C ATOM 1421 O GLN A 86 -18.650 -3.625 -5.587 1.00 13.31 O ATOM 1422 CB GLN A 86 -17.937 -6.106 -7.509 1.00 72.15 C ATOM 1423 CG GLN A 86 -16.420 -6.021 -7.566 1.00 55.22 C ATOM 1424 CD GLN A 86 -15.766 -7.376 -7.751 1.00 53.34 C ATOM 1425 OE1 GLN A 86 -15.818 -7.960 -8.834 1.00 44.12 O ATOM 1426 NE2 GLN A 86 -15.146 -7.884 -6.693 1.00 0.41 N ATOM 0 H GLN A 86 -17.993 -4.948 -9.690 1.00 24.13 H new ATOM 0 HA GLN A 86 -19.705 -4.884 -7.542 1.00 42.05 H new ATOM 0 HB2 GLN A 86 -18.233 -6.524 -6.547 1.00 72.15 H new ATOM 0 HB3 GLN A 86 -18.283 -6.798 -8.277 1.00 72.15 H new ATOM 0 HG2 GLN A 86 -16.127 -5.366 -8.386 1.00 55.22 H new ATOM 0 HG3 GLN A 86 -16.051 -5.566 -6.647 1.00 55.22 H new ATOM 0 HE21 GLN A 86 -15.128 -7.365 -5.815 1.00 0.41 H new ATOM 0 HE22 GLN A 86 -14.688 -8.793 -6.758 1.00 0.41 H new ATOM 1435 N GLN A 87 -17.052 -3.037 -7.058 1.00 4.45 N ATOM 1436 CA GLN A 87 -16.453 -2.041 -6.176 1.00 33.21 C ATOM 1437 C GLN A 87 -17.488 -1.010 -5.738 1.00 20.03 C ATOM 1438 O GLN A 87 -17.380 -0.426 -4.658 1.00 63.15 O ATOM 1439 CB GLN A 87 -15.286 -1.344 -6.877 1.00 11.11 C ATOM 1440 CG GLN A 87 -14.182 -0.904 -5.929 1.00 20.41 C ATOM 1441 CD GLN A 87 -12.891 -1.670 -6.142 1.00 41.20 C ATOM 1442 OE1 GLN A 87 -12.361 -2.286 -5.217 1.00 74.50 O ATOM 1443 NE2 GLN A 87 -12.376 -1.634 -7.366 1.00 35.53 N ATOM 0 H GLN A 87 -16.593 -3.129 -7.964 1.00 4.45 H new ATOM 0 HA GLN A 87 -16.080 -2.554 -5.290 1.00 33.21 H new ATOM 0 HB2 GLN A 87 -14.866 -2.019 -7.623 1.00 11.11 H new ATOM 0 HB3 GLN A 87 -15.663 -0.472 -7.412 1.00 11.11 H new ATOM 0 HG2 GLN A 87 -13.995 0.161 -6.065 1.00 20.41 H new ATOM 0 HG3 GLN A 87 -14.516 -1.040 -4.900 1.00 20.41 H new ATOM 0 HE21 GLN A 87 -12.849 -1.111 -8.103 1.00 35.53 H new ATOM 0 HE22 GLN A 87 -11.508 -2.130 -7.569 1.00 35.53 H new ATOM 1452 N LEU A 88 -18.490 -0.790 -6.581 1.00 75.10 N ATOM 1453 CA LEU A 88 -19.546 0.172 -6.281 1.00 63.41 C ATOM 1454 C LEU A 88 -20.181 -0.122 -4.926 1.00 73.40 C ATOM 1455 O LEU A 88 -20.708 0.775 -4.270 1.00 12.14 O ATOM 1456 CB LEU A 88 -20.614 0.144 -7.375 1.00 73.32 C ATOM 1457 CG LEU A 88 -21.665 -0.962 -7.260 1.00 4.53 C ATOM 1458 CD1 LEU A 88 -22.855 -0.483 -6.443 1.00 30.41 C ATOM 1459 CD2 LEU A 88 -22.112 -1.419 -8.640 1.00 41.35 C ATOM 0 H LEU A 88 -18.594 -1.264 -7.478 1.00 75.10 H new ATOM 0 HA LEU A 88 -19.099 1.166 -6.244 1.00 63.41 H new ATOM 0 HB2 LEU A 88 -21.127 1.106 -7.379 1.00 73.32 H new ATOM 0 HB3 LEU A 88 -20.115 0.045 -8.339 1.00 73.32 H new ATOM 0 HG LEU A 88 -21.216 -1.812 -6.747 1.00 4.53 H new ATOM 0 HD11 LEU A 88 -23.593 -1.282 -6.371 1.00 30.41 H new ATOM 0 HD12 LEU A 88 -22.522 -0.206 -5.443 1.00 30.41 H new ATOM 0 HD13 LEU A 88 -23.305 0.383 -6.928 1.00 30.41 H new ATOM 0 HD21 LEU A 88 -22.859 -2.206 -8.538 1.00 41.35 H new ATOM 0 HD22 LEU A 88 -22.543 -0.576 -9.180 1.00 41.35 H new ATOM 0 HD23 LEU A 88 -21.254 -1.803 -9.192 1.00 41.35 H new ATOM 1471 N GLU A 89 -20.125 -1.385 -4.513 1.00 55.13 N ATOM 1472 CA GLU A 89 -20.695 -1.796 -3.235 1.00 42.13 C ATOM 1473 C GLU A 89 -19.900 -1.209 -2.072 1.00 35.31 C ATOM 1474 O GLU A 89 -20.474 -0.711 -1.103 1.00 71.33 O ATOM 1475 CB GLU A 89 -20.721 -3.322 -3.131 1.00 33.21 C ATOM 1476 CG GLU A 89 -21.940 -3.861 -2.400 1.00 64.32 C ATOM 1477 CD GLU A 89 -22.095 -5.362 -2.553 1.00 1.10 C ATOM 1478 OE1 GLU A 89 -21.456 -6.106 -1.780 1.00 3.45 O ATOM 1479 OE2 GLU A 89 -22.855 -5.793 -3.445 1.00 43.44 O ATOM 0 H GLU A 89 -19.691 -2.140 -5.044 1.00 55.13 H new ATOM 0 HA GLU A 89 -21.716 -1.418 -3.182 1.00 42.13 H new ATOM 0 HB2 GLU A 89 -20.692 -3.747 -4.134 1.00 33.21 H new ATOM 0 HB3 GLU A 89 -19.821 -3.658 -2.616 1.00 33.21 H new ATOM 0 HG2 GLU A 89 -21.863 -3.613 -1.341 1.00 64.32 H new ATOM 0 HG3 GLU A 89 -22.834 -3.367 -2.779 1.00 64.32 H new ATOM 1486 N SER A 90 -18.577 -1.273 -2.175 1.00 42.32 N ATOM 1487 CA SER A 90 -17.703 -0.752 -1.130 1.00 62.34 C ATOM 1488 C SER A 90 -17.778 0.770 -1.068 1.00 44.31 C ATOM 1489 O SER A 90 -17.849 1.355 0.013 1.00 12.21 O ATOM 1490 CB SER A 90 -16.259 -1.194 -1.377 1.00 41.43 C ATOM 1491 OG SER A 90 -16.179 -2.085 -2.476 1.00 21.21 O ATOM 0 H SER A 90 -18.086 -1.680 -2.971 1.00 42.32 H new ATOM 0 HA SER A 90 -18.040 -1.154 -0.174 1.00 62.34 H new ATOM 0 HB2 SER A 90 -15.635 -0.320 -1.567 1.00 41.43 H new ATOM 0 HB3 SER A 90 -15.866 -1.678 -0.483 1.00 41.43 H new ATOM 0 HG SER A 90 -15.246 -2.351 -2.614 1.00 21.21 H new ATOM 1497 N ILE A 91 -17.760 1.405 -2.235 1.00 53.31 N ATOM 1498 CA ILE A 91 -17.827 2.859 -2.314 1.00 52.31 C ATOM 1499 C ILE A 91 -19.174 3.375 -1.818 1.00 43.43 C ATOM 1500 O ILE A 91 -19.242 4.374 -1.101 1.00 23.43 O ATOM 1501 CB ILE A 91 -17.598 3.356 -3.754 1.00 33.02 C ATOM 1502 CG1 ILE A 91 -16.302 2.771 -4.318 1.00 41.22 C ATOM 1503 CG2 ILE A 91 -17.560 4.876 -3.790 1.00 3.43 C ATOM 1504 CD1 ILE A 91 -15.078 3.112 -3.497 1.00 62.33 C ATOM 0 H ILE A 91 -17.700 0.936 -3.139 1.00 53.31 H new ATOM 0 HA ILE A 91 -17.034 3.247 -1.674 1.00 52.31 H new ATOM 0 HB ILE A 91 -18.427 3.019 -4.376 1.00 33.02 H new ATOM 0 HG12 ILE A 91 -16.398 1.687 -4.379 1.00 41.22 H new ATOM 0 HG13 ILE A 91 -16.161 3.136 -5.335 1.00 41.22 H new ATOM 0 HG21 ILE A 91 -17.397 5.212 -4.814 1.00 3.43 H new ATOM 0 HG22 ILE A 91 -18.507 5.272 -3.424 1.00 3.43 H new ATOM 0 HG23 ILE A 91 -16.748 5.235 -3.157 1.00 3.43 H new ATOM 0 HD11 ILE A 91 -14.196 2.665 -3.955 1.00 62.33 H new ATOM 0 HD12 ILE A 91 -14.957 4.194 -3.457 1.00 62.33 H new ATOM 0 HD13 ILE A 91 -15.198 2.723 -2.486 1.00 62.33 H new ATOM 1516 N TYR A 92 -20.243 2.688 -2.204 1.00 62.10 N ATOM 1517 CA TYR A 92 -21.589 3.077 -1.799 1.00 64.23 C ATOM 1518 C TYR A 92 -21.774 2.912 -0.294 1.00 3.21 C ATOM 1519 O TYR A 92 -22.388 3.753 0.363 1.00 31.55 O ATOM 1520 CB TYR A 92 -22.630 2.242 -2.547 1.00 2.03 C ATOM 1521 CG TYR A 92 -24.045 2.745 -2.375 1.00 74.14 C ATOM 1522 CD1 TYR A 92 -24.475 3.901 -3.015 1.00 74.32 C ATOM 1523 CD2 TYR A 92 -24.953 2.063 -1.574 1.00 53.23 C ATOM 1524 CE1 TYR A 92 -25.768 4.364 -2.861 1.00 24.02 C ATOM 1525 CE2 TYR A 92 -26.248 2.518 -1.415 1.00 40.33 C ATOM 1526 CZ TYR A 92 -26.650 3.669 -2.060 1.00 51.31 C ATOM 1527 OH TYR A 92 -27.939 4.127 -1.905 1.00 24.21 O ATOM 0 H TYR A 92 -20.204 1.859 -2.797 1.00 62.10 H new ATOM 0 HA TYR A 92 -21.727 4.129 -2.050 1.00 64.23 H new ATOM 0 HB2 TYR A 92 -22.383 2.234 -3.609 1.00 2.03 H new ATOM 0 HB3 TYR A 92 -22.575 1.211 -2.199 1.00 2.03 H new ATOM 0 HD1 TYR A 92 -23.787 4.447 -3.643 1.00 74.32 H new ATOM 0 HD2 TYR A 92 -24.641 1.162 -1.067 1.00 53.23 H new ATOM 0 HE1 TYR A 92 -26.086 5.265 -3.365 1.00 24.02 H new ATOM 0 HE2 TYR A 92 -26.941 1.976 -0.789 1.00 40.33 H new ATOM 0 HH TYR A 92 -28.431 3.523 -1.311 1.00 24.21 H new ATOM 1537 N PHE A 93 -21.237 1.823 0.246 1.00 42.10 N ATOM 1538 CA PHE A 93 -21.342 1.546 1.674 1.00 40.22 C ATOM 1539 C PHE A 93 -20.598 2.600 2.488 1.00 3.15 C ATOM 1540 O PHE A 93 -21.144 3.169 3.434 1.00 42.22 O ATOM 1541 CB PHE A 93 -20.785 0.156 1.988 1.00 75.13 C ATOM 1542 CG PHE A 93 -20.960 -0.250 3.423 1.00 10.43 C ATOM 1543 CD1 PHE A 93 -22.226 -0.422 3.959 1.00 11.13 C ATOM 1544 CD2 PHE A 93 -19.858 -0.459 4.237 1.00 52.02 C ATOM 1545 CE1 PHE A 93 -22.389 -0.794 5.280 1.00 34.22 C ATOM 1546 CE2 PHE A 93 -20.015 -0.832 5.558 1.00 12.25 C ATOM 1547 CZ PHE A 93 -21.283 -1.001 6.080 1.00 3.44 C ATOM 0 H PHE A 93 -20.725 1.118 -0.284 1.00 42.10 H new ATOM 0 HA PHE A 93 -22.396 1.578 1.948 1.00 40.22 H new ATOM 0 HB2 PHE A 93 -21.278 -0.577 1.349 1.00 75.13 H new ATOM 0 HB3 PHE A 93 -19.724 0.134 1.739 1.00 75.13 H new ATOM 0 HD1 PHE A 93 -23.095 -0.264 3.338 1.00 11.13 H new ATOM 0 HD2 PHE A 93 -18.865 -0.329 3.834 1.00 52.02 H new ATOM 0 HE1 PHE A 93 -23.381 -0.923 5.686 1.00 34.22 H new ATOM 0 HE2 PHE A 93 -19.148 -0.991 6.182 1.00 12.25 H new ATOM 0 HZ PHE A 93 -21.409 -1.294 7.112 1.00 3.44 H new ATOM 1557 N ARG A 94 -19.348 2.854 2.115 1.00 2.10 N ATOM 1558 CA ARG A 94 -18.527 3.838 2.811 1.00 32.43 C ATOM 1559 C ARG A 94 -19.117 5.238 2.667 1.00 63.42 C ATOM 1560 O ARG A 94 -18.999 6.067 3.569 1.00 42.41 O ATOM 1561 CB ARG A 94 -17.097 3.816 2.269 1.00 51.25 C ATOM 1562 CG ARG A 94 -16.401 2.476 2.439 1.00 2.04 C ATOM 1563 CD ARG A 94 -15.381 2.234 1.338 1.00 71.44 C ATOM 1564 NE ARG A 94 -14.888 0.859 1.341 1.00 72.21 N ATOM 1565 CZ ARG A 94 -14.105 0.357 0.393 1.00 71.43 C ATOM 1566 NH1 ARG A 94 -13.728 1.112 -0.629 1.00 44.41 N ATOM 1567 NH2 ARG A 94 -13.698 -0.904 0.466 1.00 65.01 N ATOM 0 H ARG A 94 -18.881 2.392 1.335 1.00 2.10 H new ATOM 0 HA ARG A 94 -18.510 3.577 3.869 1.00 32.43 H new ATOM 0 HB2 ARG A 94 -17.115 4.075 1.210 1.00 51.25 H new ATOM 0 HB3 ARG A 94 -16.514 4.585 2.775 1.00 51.25 H new ATOM 0 HG2 ARG A 94 -15.905 2.443 3.409 1.00 2.04 H new ATOM 0 HG3 ARG A 94 -17.142 1.677 2.432 1.00 2.04 H new ATOM 0 HD2 ARG A 94 -15.832 2.455 0.371 1.00 71.44 H new ATOM 0 HD3 ARG A 94 -14.543 2.920 1.463 1.00 71.44 H new ATOM 0 HE ARG A 94 -15.160 0.251 2.114 1.00 72.21 H new ATOM 0 HH11 ARG A 94 -14.039 2.081 -0.689 1.00 44.41 H new ATOM 0 HH12 ARG A 94 -13.127 0.724 -1.355 1.00 44.41 H new ATOM 0 HH21 ARG A 94 -13.987 -1.488 1.251 1.00 65.01 H new ATOM 0 HH22 ARG A 94 -13.097 -1.289 -0.263 1.00 65.01 H new ATOM 1581 N ILE A 95 -19.750 5.492 1.527 1.00 51.41 N ATOM 1582 CA ILE A 95 -20.358 6.791 1.265 1.00 1.10 C ATOM 1583 C ILE A 95 -21.686 6.935 2.001 1.00 62.13 C ATOM 1584 O ILE A 95 -22.113 8.044 2.323 1.00 42.52 O ATOM 1585 CB ILE A 95 -20.592 7.010 -0.241 1.00 71.44 C ATOM 1586 CG1 ILE A 95 -19.262 7.261 -0.955 1.00 74.54 C ATOM 1587 CG2 ILE A 95 -21.548 8.172 -0.466 1.00 23.03 C ATOM 1588 CD1 ILE A 95 -19.361 7.181 -2.463 1.00 14.13 C ATOM 0 H ILE A 95 -19.855 4.816 0.770 1.00 51.41 H new ATOM 0 HA ILE A 95 -19.660 7.545 1.629 1.00 1.10 H new ATOM 0 HB ILE A 95 -21.042 6.109 -0.658 1.00 71.44 H new ATOM 0 HG12 ILE A 95 -18.889 8.246 -0.675 1.00 74.54 H new ATOM 0 HG13 ILE A 95 -18.529 6.532 -0.608 1.00 74.54 H new ATOM 0 HG21 ILE A 95 -21.703 8.314 -1.536 1.00 23.03 H new ATOM 0 HG22 ILE A 95 -22.503 7.956 0.013 1.00 23.03 H new ATOM 0 HG23 ILE A 95 -21.124 9.080 -0.037 1.00 23.03 H new ATOM 0 HD11 ILE A 95 -18.381 7.369 -2.902 1.00 14.13 H new ATOM 0 HD12 ILE A 95 -19.704 6.188 -2.753 1.00 14.13 H new ATOM 0 HD13 ILE A 95 -20.069 7.928 -2.821 1.00 14.13 H new ATOM 1600 N LEU A 96 -22.334 5.806 2.265 1.00 13.14 N ATOM 1601 CA LEU A 96 -23.614 5.805 2.966 1.00 51.23 C ATOM 1602 C LEU A 96 -23.410 5.696 4.473 1.00 3.24 C ATOM 1603 O LEU A 96 -24.349 5.867 5.252 1.00 61.40 O ATOM 1604 CB LEU A 96 -24.487 4.649 2.473 1.00 45.41 C ATOM 1605 CG LEU A 96 -25.474 4.983 1.354 1.00 43.31 C ATOM 1606 CD1 LEU A 96 -26.455 6.052 1.809 1.00 1.31 C ATOM 1607 CD2 LEU A 96 -24.731 5.435 0.105 1.00 10.50 C ATOM 0 H LEU A 96 -21.995 4.880 2.005 1.00 13.14 H new ATOM 0 HA LEU A 96 -24.117 6.748 2.754 1.00 51.23 H new ATOM 0 HB2 LEU A 96 -23.833 3.849 2.127 1.00 45.41 H new ATOM 0 HB3 LEU A 96 -25.049 4.257 3.321 1.00 45.41 H new ATOM 0 HG LEU A 96 -26.037 4.082 1.111 1.00 43.31 H new ATOM 0 HD11 LEU A 96 -27.150 6.277 1.000 1.00 1.31 H new ATOM 0 HD12 LEU A 96 -27.011 5.691 2.674 1.00 1.31 H new ATOM 0 HD13 LEU A 96 -25.909 6.956 2.080 1.00 1.31 H new ATOM 0 HD21 LEU A 96 -25.449 5.669 -0.681 1.00 10.50 H new ATOM 0 HD22 LEU A 96 -24.142 6.323 0.334 1.00 10.50 H new ATOM 0 HD23 LEU A 96 -24.069 4.638 -0.233 1.00 10.50 H new ATOM 1619 N LEU A 97 -22.177 5.413 4.879 1.00 42.30 N ATOM 1620 CA LEU A 97 -21.848 5.284 6.294 1.00 22.13 C ATOM 1621 C LEU A 97 -22.473 6.415 7.104 1.00 11.04 C ATOM 1622 O LEU A 97 -22.836 7.465 6.573 1.00 34.33 O ATOM 1623 CB LEU A 97 -20.330 5.282 6.487 1.00 33.43 C ATOM 1624 CG LEU A 97 -19.631 3.937 6.289 1.00 65.41 C ATOM 1625 CD1 LEU A 97 -18.121 4.105 6.358 1.00 43.11 C ATOM 1626 CD2 LEU A 97 -20.105 2.930 7.327 1.00 3.55 C ATOM 0 H LEU A 97 -21.389 5.269 4.248 1.00 42.30 H new ATOM 0 HA LEU A 97 -22.255 4.338 6.651 1.00 22.13 H new ATOM 0 HB2 LEU A 97 -19.895 6.001 5.793 1.00 33.43 H new ATOM 0 HB3 LEU A 97 -20.111 5.638 7.494 1.00 33.43 H new ATOM 0 HG LEU A 97 -19.890 3.558 5.300 1.00 65.41 H new ATOM 0 HD11 LEU A 97 -17.640 3.137 6.215 1.00 43.11 H new ATOM 0 HD12 LEU A 97 -17.795 4.791 5.576 1.00 43.11 H new ATOM 0 HD13 LEU A 97 -17.844 4.507 7.332 1.00 43.11 H new ATOM 0 HD21 LEU A 97 -19.596 1.979 7.170 1.00 3.55 H new ATOM 0 HD22 LEU A 97 -19.878 3.303 8.326 1.00 3.55 H new ATOM 0 HD23 LEU A 97 -21.181 2.786 7.230 1.00 3.55 H new ATOM 1638 N PRO A 98 -22.600 6.199 8.422 1.00 15.31 N ATOM 1639 CA PRO A 98 -23.179 7.190 9.334 1.00 12.32 C ATOM 1640 C PRO A 98 -22.275 8.404 9.521 1.00 70.11 C ATOM 1641 O PRO A 98 -22.752 9.530 9.662 1.00 35.15 O ATOM 1642 CB PRO A 98 -23.321 6.421 10.650 1.00 4.21 C ATOM 1643 CG PRO A 98 -22.289 5.349 10.575 1.00 3.31 C ATOM 1644 CD PRO A 98 -22.189 4.971 9.123 1.00 2.51 C ATOM 0 HA PRO A 98 -24.119 7.592 8.956 1.00 12.32 H new ATOM 0 HB2 PRO A 98 -23.155 7.071 11.509 1.00 4.21 H new ATOM 0 HB3 PRO A 98 -24.321 6.001 10.757 1.00 4.21 H new ATOM 0 HG2 PRO A 98 -21.330 5.703 10.953 1.00 3.31 H new ATOM 0 HG3 PRO A 98 -22.573 4.490 11.183 1.00 3.31 H new ATOM 0 HD2 PRO A 98 -21.175 4.675 8.854 1.00 2.51 H new ATOM 0 HD3 PRO A 98 -22.841 4.132 8.880 1.00 2.51 H new ATOM 1652 N TYR A 99 -20.968 8.168 9.520 1.00 61.42 N ATOM 1653 CA TYR A 99 -19.997 9.242 9.691 1.00 21.32 C ATOM 1654 C TYR A 99 -19.937 10.126 8.449 1.00 34.41 C ATOM 1655 O TYR A 99 -19.907 11.352 8.548 1.00 22.40 O ATOM 1656 CB TYR A 99 -18.612 8.663 9.986 1.00 41.30 C ATOM 1657 CG TYR A 99 -18.344 8.454 11.459 1.00 11.03 C ATOM 1658 CD1 TYR A 99 -18.788 7.310 12.111 1.00 63.13 C ATOM 1659 CD2 TYR A 99 -17.646 9.401 12.200 1.00 74.53 C ATOM 1660 CE1 TYR A 99 -18.546 7.115 13.457 1.00 41.22 C ATOM 1661 CE2 TYR A 99 -17.399 9.214 13.546 1.00 63.51 C ATOM 1662 CZ TYR A 99 -17.851 8.070 14.170 1.00 61.41 C ATOM 1663 OH TYR A 99 -17.607 7.879 15.511 1.00 62.33 O ATOM 0 H TYR A 99 -20.556 7.242 9.403 1.00 61.42 H new ATOM 0 HA TYR A 99 -20.315 9.854 10.535 1.00 21.32 H new ATOM 0 HB2 TYR A 99 -18.508 7.710 9.468 1.00 41.30 H new ATOM 0 HB3 TYR A 99 -17.854 9.332 9.579 1.00 41.30 H new ATOM 0 HD1 TYR A 99 -19.332 6.560 11.556 1.00 63.13 H new ATOM 0 HD2 TYR A 99 -17.291 10.298 11.715 1.00 74.53 H new ATOM 0 HE1 TYR A 99 -18.899 6.220 13.948 1.00 41.22 H new ATOM 0 HE2 TYR A 99 -16.855 9.960 14.107 1.00 63.51 H new ATOM 0 HH TYR A 99 -17.106 8.643 15.864 1.00 62.33 H new ATOM 1673 N GLU A 100 -19.922 9.492 7.280 1.00 0.33 N ATOM 1674 CA GLU A 100 -19.866 10.221 6.018 1.00 30.33 C ATOM 1675 C GLU A 100 -21.141 11.031 5.801 1.00 62.23 C ATOM 1676 O GLU A 100 -21.087 12.221 5.491 1.00 11.22 O ATOM 1677 CB GLU A 100 -19.660 9.251 4.853 1.00 61.11 C ATOM 1678 CG GLU A 100 -19.208 9.928 3.570 1.00 5.22 C ATOM 1679 CD GLU A 100 -20.286 10.803 2.961 1.00 61.13 C ATOM 1680 OE1 GLU A 100 -21.477 10.446 3.081 1.00 63.00 O ATOM 1681 OE2 GLU A 100 -19.940 11.843 2.364 1.00 45.44 O ATOM 0 H GLU A 100 -19.948 8.477 7.181 1.00 0.33 H new ATOM 0 HA GLU A 100 -19.022 10.909 6.062 1.00 30.33 H new ATOM 0 HB2 GLU A 100 -18.920 8.504 5.140 1.00 61.11 H new ATOM 0 HB3 GLU A 100 -20.593 8.720 4.664 1.00 61.11 H new ATOM 0 HG2 GLU A 100 -18.326 10.535 3.775 1.00 5.22 H new ATOM 0 HG3 GLU A 100 -18.911 9.168 2.848 1.00 5.22 H new ATOM 1688 N ARG A 101 -22.286 10.376 5.964 1.00 1.44 N ATOM 1689 CA ARG A 101 -23.574 11.034 5.784 1.00 14.44 C ATOM 1690 C ARG A 101 -23.768 12.143 6.815 1.00 24.33 C ATOM 1691 O ARG A 101 -24.359 13.182 6.521 1.00 3.34 O ATOM 1692 CB ARG A 101 -24.711 10.016 5.895 1.00 2.43 C ATOM 1693 CG ARG A 101 -24.853 9.411 7.282 1.00 11.12 C ATOM 1694 CD ARG A 101 -25.796 10.228 8.152 1.00 24.35 C ATOM 1695 NE ARG A 101 -27.021 9.498 8.467 1.00 23.32 N ATOM 1696 CZ ARG A 101 -27.896 9.892 9.386 1.00 64.23 C ATOM 1697 NH1 ARG A 101 -27.682 11.003 10.076 1.00 42.51 N ATOM 1698 NH2 ARG A 101 -28.988 9.174 9.615 1.00 64.41 N ATOM 0 H ARG A 101 -22.348 9.391 6.220 1.00 1.44 H new ATOM 0 HA ARG A 101 -23.589 11.480 4.789 1.00 14.44 H new ATOM 0 HB2 ARG A 101 -25.649 10.500 5.621 1.00 2.43 H new ATOM 0 HB3 ARG A 101 -24.543 9.216 5.174 1.00 2.43 H new ATOM 0 HG2 ARG A 101 -25.226 8.390 7.198 1.00 11.12 H new ATOM 0 HG3 ARG A 101 -23.874 9.355 7.758 1.00 11.12 H new ATOM 0 HD2 ARG A 101 -25.289 10.502 9.077 1.00 24.35 H new ATOM 0 HD3 ARG A 101 -26.049 11.156 7.640 1.00 24.35 H new ATOM 0 HE ARG A 101 -27.216 8.639 7.953 1.00 23.32 H new ATOM 0 HH11 ARG A 101 -26.844 11.558 9.902 1.00 42.51 H new ATOM 0 HH12 ARG A 101 -28.355 11.303 10.781 1.00 42.51 H new ATOM 0 HH21 ARG A 101 -29.156 8.319 9.085 1.00 64.41 H new ATOM 0 HH22 ARG A 101 -29.659 9.477 10.321 1.00 64.41 H new ATOM 1712 N HIS A 102 -23.266 11.913 8.025 1.00 43.24 N ATOM 1713 CA HIS A 102 -23.383 12.892 9.099 1.00 1.24 C ATOM 1714 C HIS A 102 -22.566 14.142 8.787 1.00 3.23 C ATOM 1715 O HIS A 102 -23.044 15.264 8.951 1.00 44.44 O ATOM 1716 CB HIS A 102 -22.921 12.284 10.424 1.00 10.31 C ATOM 1717 CG HIS A 102 -22.875 13.269 11.552 1.00 55.24 C ATOM 1718 ND1 HIS A 102 -21.698 13.710 12.119 1.00 55.24 N ATOM 1719 CD2 HIS A 102 -23.871 13.901 12.216 1.00 33.53 C ATOM 1720 CE1 HIS A 102 -21.972 14.569 13.085 1.00 73.34 C ATOM 1721 NE2 HIS A 102 -23.284 14.702 13.164 1.00 40.20 N ATOM 0 H HIS A 102 -22.775 11.058 8.285 1.00 43.24 H new ATOM 0 HA HIS A 102 -24.432 13.177 9.184 1.00 1.24 H new ATOM 0 HB2 HIS A 102 -23.591 11.467 10.693 1.00 10.31 H new ATOM 0 HB3 HIS A 102 -21.930 11.852 10.290 1.00 10.31 H new ATOM 0 HD2 HIS A 102 -24.930 13.795 12.034 1.00 33.53 H new ATOM 0 HE1 HIS A 102 -21.247 15.076 13.704 1.00 73.34 H new ATOM 0 HE2 HIS A 102 -23.780 15.302 13.822 1.00 40.20 H new ATOM 1729 N MET A 103 -21.331 13.939 8.338 1.00 13.54 N ATOM 1730 CA MET A 103 -20.448 15.051 8.003 1.00 33.33 C ATOM 1731 C MET A 103 -21.062 15.923 6.913 1.00 13.32 C ATOM 1732 O MET A 103 -21.043 17.151 7.004 1.00 44.11 O ATOM 1733 CB MET A 103 -19.085 14.527 7.546 1.00 13.15 C ATOM 1734 CG MET A 103 -17.998 14.663 8.600 1.00 30.30 C ATOM 1735 SD MET A 103 -18.401 13.797 10.129 1.00 23.43 S ATOM 1736 CE MET A 103 -18.550 15.171 11.268 1.00 53.33 C ATOM 0 H MET A 103 -20.920 13.016 8.198 1.00 13.54 H new ATOM 0 HA MET A 103 -20.314 15.659 8.898 1.00 33.33 H new ATOM 0 HB2 MET A 103 -19.182 13.477 7.269 1.00 13.15 H new ATOM 0 HB3 MET A 103 -18.780 15.066 6.649 1.00 13.15 H new ATOM 0 HG2 MET A 103 -17.061 14.273 8.202 1.00 30.30 H new ATOM 0 HG3 MET A 103 -17.837 15.719 8.817 1.00 30.30 H new ATOM 0 HE1 MET A 103 -19.157 14.871 12.122 1.00 53.33 H new ATOM 0 HE2 MET A 103 -17.559 15.467 11.612 1.00 53.33 H new ATOM 0 HE3 MET A 103 -19.025 16.012 10.763 1.00 53.33 H new ATOM 1746 N ILE A 104 -21.606 15.282 5.884 1.00 20.14 N ATOM 1747 CA ILE A 104 -22.226 16.000 4.778 1.00 1.51 C ATOM 1748 C ILE A 104 -23.592 16.549 5.175 1.00 32.35 C ATOM 1749 O ILE A 104 -24.050 17.556 4.635 1.00 25.23 O ATOM 1750 CB ILE A 104 -22.387 15.098 3.541 1.00 75.04 C ATOM 1751 CG1 ILE A 104 -23.402 13.987 3.821 1.00 2.34 C ATOM 1752 CG2 ILE A 104 -21.045 14.507 3.137 1.00 1.01 C ATOM 1753 CD1 ILE A 104 -23.630 13.066 2.644 1.00 70.32 C ATOM 0 H ILE A 104 -21.630 14.266 5.794 1.00 20.14 H new ATOM 0 HA ILE A 104 -21.563 16.829 4.529 1.00 1.51 H new ATOM 0 HB ILE A 104 -22.758 15.704 2.714 1.00 75.04 H new ATOM 0 HG12 ILE A 104 -23.058 13.398 4.671 1.00 2.34 H new ATOM 0 HG13 ILE A 104 -24.352 14.438 4.108 1.00 2.34 H new ATOM 0 HG21 ILE A 104 -21.176 13.872 2.261 1.00 1.01 H new ATOM 0 HG22 ILE A 104 -20.349 15.312 2.901 1.00 1.01 H new ATOM 0 HG23 ILE A 104 -20.647 13.913 3.960 1.00 1.01 H new ATOM 0 HD11 ILE A 104 -24.361 12.304 2.915 1.00 70.32 H new ATOM 0 HD12 ILE A 104 -24.004 13.643 1.798 1.00 70.32 H new ATOM 0 HD13 ILE A 104 -22.690 12.587 2.370 1.00 70.32 H new ATOM 1765 N SER A 105 -24.239 15.880 6.125 1.00 62.21 N ATOM 1766 CA SER A 105 -25.554 16.299 6.594 1.00 34.41 C ATOM 1767 C SER A 105 -25.520 17.740 7.092 1.00 0.30 C ATOM 1768 O SER A 105 -26.494 18.479 6.952 1.00 50.32 O ATOM 1769 CB SER A 105 -26.039 15.373 7.711 1.00 33.34 C ATOM 1770 OG SER A 105 -26.943 14.402 7.213 1.00 73.11 O ATOM 0 H SER A 105 -23.873 15.046 6.584 1.00 62.21 H new ATOM 0 HA SER A 105 -26.247 16.239 5.755 1.00 34.41 H new ATOM 0 HB2 SER A 105 -25.185 14.877 8.172 1.00 33.34 H new ATOM 0 HB3 SER A 105 -26.525 15.961 8.490 1.00 33.34 H new ATOM 0 HG SER A 105 -27.861 14.732 7.305 1.00 73.11 H new ATOM 1776 N GLN A 106 -24.391 18.132 7.674 1.00 60.02 N ATOM 1777 CA GLN A 106 -24.229 19.485 8.193 1.00 33.34 C ATOM 1778 C GLN A 106 -24.499 20.521 7.107 1.00 35.15 C ATOM 1779 O GLN A 106 -25.072 21.577 7.374 1.00 41.14 O ATOM 1780 CB GLN A 106 -22.819 19.673 8.755 1.00 60.10 C ATOM 1781 CG GLN A 106 -22.676 19.230 10.202 1.00 32.21 C ATOM 1782 CD GLN A 106 -21.230 19.032 10.612 1.00 51.01 C ATOM 1783 OE1 GLN A 106 -20.854 17.972 11.112 1.00 31.42 O ATOM 1784 NE2 GLN A 106 -20.410 20.055 10.401 1.00 23.34 N ATOM 0 H GLN A 106 -23.575 17.532 7.798 1.00 60.02 H new ATOM 0 HA GLN A 106 -24.954 19.629 8.994 1.00 33.34 H new ATOM 0 HB2 GLN A 106 -22.114 19.112 8.141 1.00 60.10 H new ATOM 0 HB3 GLN A 106 -22.543 20.725 8.677 1.00 60.10 H new ATOM 0 HG2 GLN A 106 -23.135 19.974 10.853 1.00 32.21 H new ATOM 0 HG3 GLN A 106 -23.222 18.298 10.348 1.00 32.21 H new ATOM 0 HE21 GLN A 106 -20.765 20.915 9.984 1.00 23.34 H new ATOM 0 HE22 GLN A 106 -19.425 19.980 10.656 1.00 23.34 H new ATOM 1793 N GLU A 107 -24.083 20.211 5.884 1.00 60.13 N ATOM 1794 CA GLU A 107 -24.280 21.117 4.758 1.00 24.11 C ATOM 1795 C GLU A 107 -25.263 20.528 3.751 1.00 65.44 C ATOM 1796 O GLU A 107 -25.261 20.896 2.577 1.00 64.33 O ATOM 1797 CB GLU A 107 -22.944 21.411 4.072 1.00 21.21 C ATOM 1798 CG GLU A 107 -22.859 22.807 3.478 1.00 72.44 C ATOM 1799 CD GLU A 107 -21.913 22.880 2.295 1.00 53.53 C ATOM 1800 OE1 GLU A 107 -20.684 22.882 2.518 1.00 74.32 O ATOM 1801 OE2 GLU A 107 -22.401 22.937 1.147 1.00 52.32 O ATOM 0 H GLU A 107 -23.608 19.340 5.647 1.00 60.13 H new ATOM 0 HA GLU A 107 -24.696 22.048 5.142 1.00 24.11 H new ATOM 0 HB2 GLU A 107 -22.138 21.283 4.795 1.00 21.21 H new ATOM 0 HB3 GLU A 107 -22.782 20.678 3.281 1.00 21.21 H new ATOM 0 HG2 GLU A 107 -23.853 23.126 3.164 1.00 72.44 H new ATOM 0 HG3 GLU A 107 -22.528 23.506 4.247 1.00 72.44 H new ATOM 1808 N GLY A 108 -26.102 19.609 4.219 1.00 21.21 N ATOM 1809 CA GLY A 108 -27.078 18.982 3.347 1.00 11.30 C ATOM 1810 C GLY A 108 -27.995 18.032 4.091 1.00 0.03 C ATOM 1811 O GLY A 108 -28.145 16.873 3.704 1.00 63.21 O ATOM 0 H GLY A 108 -26.123 19.287 5.187 1.00 21.21 H new ATOM 0 HA2 GLY A 108 -27.676 19.754 2.862 1.00 11.30 H new ATOM 0 HA3 GLY A 108 -26.559 18.438 2.558 1.00 11.30 H new ATOM 1815 N ILE A 109 -28.609 18.522 5.163 1.00 4.20 N ATOM 1816 CA ILE A 109 -29.515 17.708 5.963 1.00 23.22 C ATOM 1817 C ILE A 109 -30.640 17.135 5.108 1.00 44.13 C ATOM 1818 O ILE A 109 -31.228 16.107 5.443 1.00 62.42 O ATOM 1819 CB ILE A 109 -30.127 18.519 7.121 1.00 71.35 C ATOM 1820 CG1 ILE A 109 -30.676 19.851 6.605 1.00 63.44 C ATOM 1821 CG2 ILE A 109 -29.091 18.753 8.210 1.00 61.43 C ATOM 1822 CD1 ILE A 109 -31.514 20.593 7.622 1.00 42.45 C ATOM 0 H ILE A 109 -28.495 19.479 5.497 1.00 4.20 H new ATOM 0 HA ILE A 109 -28.923 16.891 6.376 1.00 23.22 H new ATOM 0 HB ILE A 109 -30.952 17.949 7.548 1.00 71.35 H new ATOM 0 HG12 ILE A 109 -29.843 20.485 6.301 1.00 63.44 H new ATOM 0 HG13 ILE A 109 -31.278 19.667 5.715 1.00 63.44 H new ATOM 0 HG21 ILE A 109 -29.539 19.327 9.021 1.00 61.43 H new ATOM 0 HG22 ILE A 109 -28.743 17.794 8.594 1.00 61.43 H new ATOM 0 HG23 ILE A 109 -28.247 19.306 7.797 1.00 61.43 H new ATOM 0 HD11 ILE A 109 -31.870 21.527 7.188 1.00 42.45 H new ATOM 0 HD12 ILE A 109 -32.367 19.978 7.909 1.00 42.45 H new ATOM 0 HD13 ILE A 109 -30.910 20.809 8.503 1.00 42.45 H new ATOM 1834 N LYS A 110 -30.933 17.807 3.999 1.00 33.35 N ATOM 1835 CA LYS A 110 -31.986 17.364 3.092 1.00 4.23 C ATOM 1836 C LYS A 110 -31.718 15.945 2.600 1.00 54.51 C ATOM 1837 O LYS A 110 -32.643 15.225 2.227 1.00 71.53 O ATOM 1838 CB LYS A 110 -32.093 18.317 1.900 1.00 55.41 C ATOM 1839 CG LYS A 110 -32.746 19.646 2.240 1.00 2.15 C ATOM 1840 CD LYS A 110 -34.215 19.473 2.588 1.00 40.32 C ATOM 1841 CE LYS A 110 -34.910 20.816 2.753 1.00 33.12 C ATOM 1842 NZ LYS A 110 -36.305 20.660 3.250 1.00 15.50 N ATOM 0 H LYS A 110 -30.456 18.660 3.707 1.00 33.35 H new ATOM 0 HA LYS A 110 -32.929 17.368 3.639 1.00 4.23 H new ATOM 0 HB2 LYS A 110 -31.095 18.503 1.504 1.00 55.41 H new ATOM 0 HB3 LYS A 110 -32.665 17.833 1.109 1.00 55.41 H new ATOM 0 HG2 LYS A 110 -32.224 20.105 3.080 1.00 2.15 H new ATOM 0 HG3 LYS A 110 -32.649 20.327 1.394 1.00 2.15 H new ATOM 0 HD2 LYS A 110 -34.711 18.899 1.805 1.00 40.32 H new ATOM 0 HD3 LYS A 110 -34.307 18.899 3.510 1.00 40.32 H new ATOM 0 HE2 LYS A 110 -34.344 21.435 3.449 1.00 33.12 H new ATOM 0 HE3 LYS A 110 -34.921 21.339 1.797 1.00 33.12 H new ATOM 0 HZ1 LYS A 110 -36.745 21.597 3.349 1.00 15.50 H new ATOM 0 HZ2 LYS A 110 -36.853 20.090 2.574 1.00 15.50 H new ATOM 0 HZ3 LYS A 110 -36.293 20.183 4.174 1.00 15.50 H new ATOM 1856 N GLU A 111 -30.449 15.552 2.603 1.00 23.24 N ATOM 1857 CA GLU A 111 -30.062 14.219 2.157 1.00 23.53 C ATOM 1858 C GLU A 111 -30.418 13.169 3.206 1.00 2.14 C ATOM 1859 O GLU A 111 -30.622 11.998 2.886 1.00 70.30 O ATOM 1860 CB GLU A 111 -28.561 14.171 1.861 1.00 12.05 C ATOM 1861 CG GLU A 111 -28.198 13.257 0.703 1.00 21.14 C ATOM 1862 CD GLU A 111 -28.339 13.938 -0.644 1.00 3.20 C ATOM 1863 OE1 GLU A 111 -29.055 14.959 -0.720 1.00 64.20 O ATOM 1864 OE2 GLU A 111 -27.734 13.451 -1.622 1.00 1.22 O ATOM 0 H GLU A 111 -29.672 16.137 2.909 1.00 23.24 H new ATOM 0 HA GLU A 111 -30.613 13.996 1.243 1.00 23.53 H new ATOM 0 HB2 GLU A 111 -28.210 15.179 1.641 1.00 12.05 H new ATOM 0 HB3 GLU A 111 -28.033 13.838 2.755 1.00 12.05 H new ATOM 0 HG2 GLU A 111 -27.171 12.912 0.826 1.00 21.14 H new ATOM 0 HG3 GLU A 111 -28.836 12.374 0.728 1.00 21.14 H new ATOM 1871 N THR A 112 -30.490 13.598 4.463 1.00 72.41 N ATOM 1872 CA THR A 112 -30.819 12.696 5.560 1.00 55.50 C ATOM 1873 C THR A 112 -32.221 12.120 5.396 1.00 14.55 C ATOM 1874 O THR A 112 -32.419 10.910 5.492 1.00 30.40 O ATOM 1875 CB THR A 112 -30.726 13.411 6.921 1.00 0.13 C ATOM 1876 OG1 THR A 112 -29.550 14.227 6.967 1.00 61.33 O ATOM 1877 CG2 THR A 112 -30.695 12.403 8.060 1.00 4.34 C ATOM 0 H THR A 112 -30.325 14.564 4.746 1.00 72.41 H new ATOM 0 HA THR A 112 -30.091 11.885 5.533 1.00 55.50 H new ATOM 0 HB THR A 112 -31.608 14.040 7.037 1.00 0.13 H new ATOM 0 HG1 THR A 112 -29.734 15.090 6.540 1.00 61.33 H new ATOM 0 HG21 THR A 112 -30.629 12.931 9.011 1.00 4.34 H new ATOM 0 HG22 THR A 112 -31.605 11.803 8.040 1.00 4.34 H new ATOM 0 HG23 THR A 112 -29.829 11.752 7.946 1.00 4.34 H new ATOM 1885 N GLN A 113 -33.191 12.996 5.149 1.00 25.30 N ATOM 1886 CA GLN A 113 -34.575 12.572 4.972 1.00 4.32 C ATOM 1887 C GLN A 113 -34.717 11.673 3.748 1.00 2.35 C ATOM 1888 O GLN A 113 -35.663 10.893 3.646 1.00 2.01 O ATOM 1889 CB GLN A 113 -35.489 13.791 4.834 1.00 70.32 C ATOM 1890 CG GLN A 113 -36.904 13.550 5.335 1.00 62.31 C ATOM 1891 CD GLN A 113 -37.589 14.825 5.785 1.00 23.13 C ATOM 1892 OE1 GLN A 113 -38.556 15.275 5.170 1.00 65.24 O ATOM 1893 NE2 GLN A 113 -37.090 15.415 6.865 1.00 11.41 N ATOM 0 H GLN A 113 -33.044 14.002 5.067 1.00 25.30 H new ATOM 0 HA GLN A 113 -34.870 12.003 5.853 1.00 4.32 H new ATOM 0 HB2 GLN A 113 -35.054 14.625 5.385 1.00 70.32 H new ATOM 0 HB3 GLN A 113 -35.529 14.088 3.786 1.00 70.32 H new ATOM 0 HG2 GLN A 113 -37.492 13.087 4.543 1.00 62.31 H new ATOM 0 HG3 GLN A 113 -36.876 12.845 6.165 1.00 62.31 H new ATOM 0 HE21 GLN A 113 -36.287 15.007 7.344 1.00 11.41 H new ATOM 0 HE22 GLN A 113 -37.510 16.276 7.216 1.00 11.41 H new ATOM 1902 N ALA A 114 -33.771 11.789 2.822 1.00 23.03 N ATOM 1903 CA ALA A 114 -33.790 10.986 1.606 1.00 21.53 C ATOM 1904 C ALA A 114 -33.639 9.502 1.926 1.00 42.21 C ATOM 1905 O ALA A 114 -34.139 8.645 1.197 1.00 12.13 O ATOM 1906 CB ALA A 114 -32.690 11.438 0.658 1.00 64.34 C ATOM 0 H ALA A 114 -32.982 12.431 2.891 1.00 23.03 H new ATOM 0 HA ALA A 114 -34.755 11.130 1.120 1.00 21.53 H new ATOM 0 HB1 ALA A 114 -32.716 10.830 -0.246 1.00 64.34 H new ATOM 0 HB2 ALA A 114 -32.843 12.485 0.395 1.00 64.34 H new ATOM 0 HB3 ALA A 114 -31.721 11.324 1.144 1.00 64.34 H new ATOM 1912 N LYS A 115 -32.945 9.205 3.020 1.00 52.05 N ATOM 1913 CA LYS A 115 -32.728 7.825 3.437 1.00 60.00 C ATOM 1914 C LYS A 115 -33.052 7.647 4.917 1.00 62.22 C ATOM 1915 O LYS A 115 -32.439 8.280 5.776 1.00 12.35 O ATOM 1916 CB LYS A 115 -31.280 7.411 3.167 1.00 25.05 C ATOM 1917 CG LYS A 115 -31.101 6.626 1.880 1.00 61.14 C ATOM 1918 CD LYS A 115 -30.911 5.143 2.152 1.00 10.21 C ATOM 1919 CE LYS A 115 -31.908 4.301 1.371 1.00 33.24 C ATOM 1920 NZ LYS A 115 -31.325 2.996 0.954 1.00 71.21 N ATOM 0 H LYS A 115 -32.523 9.902 3.634 1.00 52.05 H new ATOM 0 HA LYS A 115 -33.396 7.187 2.858 1.00 60.00 H new ATOM 0 HB2 LYS A 115 -30.657 8.305 3.127 1.00 25.05 H new ATOM 0 HB3 LYS A 115 -30.921 6.809 4.002 1.00 25.05 H new ATOM 0 HG2 LYS A 115 -31.972 6.771 1.241 1.00 61.14 H new ATOM 0 HG3 LYS A 115 -30.238 7.010 1.336 1.00 61.14 H new ATOM 0 HD2 LYS A 115 -29.896 4.850 1.883 1.00 10.21 H new ATOM 0 HD3 LYS A 115 -31.027 4.950 3.218 1.00 10.21 H new ATOM 0 HE2 LYS A 115 -32.792 4.125 1.983 1.00 33.24 H new ATOM 0 HE3 LYS A 115 -32.235 4.851 0.489 1.00 33.24 H new ATOM 0 HZ1 LYS A 115 -32.036 2.452 0.424 1.00 71.21 H new ATOM 0 HZ2 LYS A 115 -30.496 3.164 0.349 1.00 71.21 H new ATOM 0 HZ3 LYS A 115 -31.036 2.460 1.797 1.00 71.21 H new ATOM 1934 N ARG A 116 -34.017 6.780 5.207 1.00 42.14 N ATOM 1935 CA ARG A 116 -34.421 6.519 6.583 1.00 71.23 C ATOM 1936 C ARG A 116 -33.421 5.599 7.278 1.00 53.32 C ATOM 1937 O ARG A 116 -33.501 5.381 8.487 1.00 63.12 O ATOM 1938 CB ARG A 116 -35.816 5.892 6.617 1.00 70.34 C ATOM 1939 CG ARG A 116 -35.918 4.590 5.838 1.00 24.05 C ATOM 1940 CD ARG A 116 -36.992 4.665 4.765 1.00 50.01 C ATOM 1941 NE ARG A 116 -38.277 5.101 5.306 1.00 63.21 N ATOM 1942 CZ ARG A 116 -39.124 4.291 5.930 1.00 31.43 C ATOM 1943 NH1 ARG A 116 -38.824 3.009 6.092 1.00 11.31 N ATOM 1944 NH2 ARG A 116 -40.274 4.762 6.395 1.00 72.21 N ATOM 0 H ARG A 116 -34.533 6.247 4.507 1.00 42.14 H new ATOM 0 HA ARG A 116 -34.444 7.470 7.115 1.00 71.23 H new ATOM 0 HB2 ARG A 116 -36.097 5.708 7.654 1.00 70.34 H new ATOM 0 HB3 ARG A 116 -36.535 6.604 6.213 1.00 70.34 H new ATOM 0 HG2 ARG A 116 -34.957 4.365 5.377 1.00 24.05 H new ATOM 0 HG3 ARG A 116 -36.143 3.772 6.522 1.00 24.05 H new ATOM 0 HD2 ARG A 116 -36.675 5.355 3.983 1.00 50.01 H new ATOM 0 HD3 ARG A 116 -37.108 3.686 4.299 1.00 50.01 H new ATOM 0 HE ARG A 116 -38.538 6.081 5.199 1.00 63.21 H new ATOM 0 HH11 ARG A 116 -37.941 2.643 5.737 1.00 11.31 H new ATOM 0 HH12 ARG A 116 -39.477 2.389 6.572 1.00 11.31 H new ATOM 0 HH21 ARG A 116 -40.508 5.747 6.273 1.00 72.21 H new ATOM 0 HH22 ARG A 116 -40.924 4.139 6.874 1.00 72.21 H new TER 1958 ARG A 116