USER MOD reduce.3.24.130724 H: found=0, std=0, add=866, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 869 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 129 SER OG : rot 82:sc= 0.756 USER MOD Set 1.2: A 130 GLN : amide:sc= -3.74! C(o=-3!,f=-3.5!) USER MOD Set 2.1: A 51 MET CE :methyl -176:sc= -2.1 (180deg=-2.2) USER MOD Set 2.2: A 121 GLN : amide:sc= -1.46! C(o=-3.6!,f=-3.5!) USER MOD Set 3.1: A 115 THR OG1 : rot 87:sc= -0.454! USER MOD Set 3.2: A 116 ASN : amide:sc= 0.782 K(o=0.33,f=-1.2) USER MOD Set 4.1: A 74 LYS NZ :NH3+ -150:sc= 0.344 (180deg=-0.246) USER MOD Set 4.2: A 76 ASN : amide:sc= 0.928 K(o=1.3,f=-5.6) USER MOD Set 5.1: A 68 GLN :FLIP amide:sc= -0.91 F(o=-8.2!,f=-3) USER MOD Set 5.2: A 71 SER OG : rot 90:sc= -2.12! USER MOD Set 6.1: A 55 LYS NZ :NH3+ 155:sc= 0.292 (180deg=0) USER MOD Set 6.2: A 114 ASN :FLIP amide:sc= -4.35! C(o=-5!,f=-4.1!) USER MOD Set 7.1: A 30 THR OG1 : rot -52:sc= -1.61! USER MOD Set 7.2: A 33 GLN : amide:sc= 0 X(o=-1.6,f=-1.7) USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 THR OG1 : rot -80:sc= -0.747 USER MOD Single : A 49 ASN : amide:sc= -0.126 K(o=-0.13,f=-2!) USER MOD Single : A 61 CYS SG : rot -35:sc= -2.92 USER MOD Single : A 65 ASN : amide:sc= -0.516 K(o=-0.52,f=-3.5!) USER MOD Single : A 66 LYS NZ :NH3+ 148:sc= -2.88! (180deg=-5.28!) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 GLN : amide:sc= -0.952 K(o=-0.95,f=-3.3!) USER MOD Single : A 81 ASN : amide:sc= -0.43 K(o=-0.43,f=-3.2!) USER MOD Single : A 83 HIS : no HD1:sc= -2.1 K(o=-2.1,f=-4) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 ASN : amide:sc= -2.91! C(o=-2.9!,f=-7.7!) USER MOD Single : A 90 ASN : amide:sc= -0.306 X(o=-0.31,f=0) USER MOD Single : A 96 LYS NZ :NH3+ -137:sc= -3.65! (180deg=-6.57!) USER MOD Single : A 97 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 109 ASN :FLIP amide:sc= -0.179 F(o=-2.5!,f=-0.18) USER MOD Single : A 117 HIS : no HD1:sc= 0.0858 K(o=0.086,f=-1.6) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 GLN : amide:sc= -0.0411 X(o=-0.041,f=-0.041) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 123 THR OG1 : rot 161:sc= -1.41! USER MOD Single : A 132 LYS NZ :NH3+ -144:sc= -2.86! (180deg=-5.62!) USER MOD Single : A 133 THR OG1 : rot 92:sc= 1.28 USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 27 -15.804 -8.298 -5.186 1.00 0.00 N ATOM 2 CA MET A 27 -16.218 -9.320 -6.184 1.00 0.00 C ATOM 3 C MET A 27 -15.411 -9.203 -7.481 1.00 0.00 C ATOM 4 O MET A 27 -14.894 -10.201 -7.982 1.00 0.00 O ATOM 5 CB MET A 27 -17.716 -9.162 -6.471 1.00 0.00 C ATOM 6 CG MET A 27 -18.610 -9.454 -5.274 1.00 0.00 C ATOM 7 SD MET A 27 -18.385 -8.281 -3.922 1.00 0.00 S ATOM 8 CE MET A 27 -19.560 -8.913 -2.727 1.00 0.00 C ATOM 0 HA MET A 27 -16.022 -10.309 -5.770 1.00 0.00 H new ATOM 0 HB2 MET A 27 -17.905 -8.144 -6.813 1.00 0.00 H new ATOM 0 HB3 MET A 27 -17.991 -9.829 -7.288 1.00 0.00 H new ATOM 0 HG2 MET A 27 -19.652 -9.436 -5.593 1.00 0.00 H new ATOM 0 HG3 MET A 27 -18.405 -10.461 -4.912 1.00 0.00 H new ATOM 0 HE1 MET A 27 -19.539 -8.291 -1.832 1.00 0.00 H new ATOM 0 HE2 MET A 27 -20.561 -8.896 -3.157 1.00 0.00 H new ATOM 0 HE3 MET A 27 -19.296 -9.937 -2.464 1.00 0.00 H new ATOM 20 N PRO A 28 -15.285 -7.984 -8.051 1.00 0.00 N ATOM 21 CA PRO A 28 -14.530 -7.775 -9.292 1.00 0.00 C ATOM 22 C PRO A 28 -13.037 -8.022 -9.107 1.00 0.00 C ATOM 23 O PRO A 28 -12.433 -7.539 -8.150 1.00 0.00 O ATOM 24 CB PRO A 28 -14.787 -6.303 -9.627 1.00 0.00 C ATOM 25 CG PRO A 28 -15.120 -5.672 -8.321 1.00 0.00 C ATOM 26 CD PRO A 28 -15.857 -6.722 -7.540 1.00 0.00 C ATOM 0 HA PRO A 28 -14.842 -8.464 -10.077 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -13.909 -5.840 -10.078 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -15.605 -6.196 -10.339 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -14.218 -5.356 -7.797 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -15.736 -4.783 -8.461 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -15.697 -6.612 -6.467 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -16.932 -6.669 -7.709 1.00 0.00 H new ATOM 34 N GLN A 29 -12.445 -8.775 -10.030 1.00 0.00 N ATOM 35 CA GLN A 29 -11.022 -9.082 -9.963 1.00 0.00 C ATOM 36 C GLN A 29 -10.188 -7.810 -10.103 1.00 0.00 C ATOM 37 O GLN A 29 -9.286 -7.563 -9.302 1.00 0.00 O ATOM 38 CB GLN A 29 -10.639 -10.090 -11.051 1.00 0.00 C ATOM 39 CG GLN A 29 -10.980 -9.630 -12.460 1.00 0.00 C ATOM 40 CD GLN A 29 -10.593 -10.648 -13.514 1.00 0.00 C ATOM 41 OE1 GLN A 29 -11.074 -11.782 -13.507 1.00 0.00 O ATOM 42 NE2 GLN A 29 -9.717 -10.248 -14.430 1.00 0.00 N ATOM 0 H GLN A 29 -12.928 -9.182 -10.831 1.00 0.00 H new ATOM 0 HA GLN A 29 -10.815 -9.525 -8.989 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -9.568 -10.286 -10.992 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -11.147 -11.034 -10.854 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -12.050 -9.434 -12.525 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -10.470 -8.689 -12.665 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -9.344 -9.299 -14.399 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -9.418 -10.890 -15.164 1.00 0.00 H new ATOM 51 N THR A 30 -10.509 -7.008 -11.121 1.00 0.00 N ATOM 52 CA THR A 30 -9.810 -5.749 -11.384 1.00 0.00 C ATOM 53 C THR A 30 -8.317 -5.852 -11.073 1.00 0.00 C ATOM 54 O THR A 30 -7.730 -4.942 -10.490 1.00 0.00 O ATOM 55 CB THR A 30 -10.427 -4.581 -10.581 1.00 0.00 C ATOM 56 OG1 THR A 30 -9.745 -3.360 -10.887 1.00 0.00 O ATOM 57 CG2 THR A 30 -10.356 -4.840 -9.083 1.00 0.00 C ATOM 0 H THR A 30 -11.257 -7.212 -11.783 1.00 0.00 H new ATOM 0 HA THR A 30 -9.928 -5.546 -12.448 1.00 0.00 H new ATOM 0 HB THR A 30 -11.476 -4.498 -10.867 1.00 0.00 H new ATOM 0 HG1 THR A 30 -8.780 -3.486 -10.771 1.00 0.00 H new ATOM 0 HG21 THR A 30 -10.798 -4.000 -8.547 1.00 0.00 H new ATOM 0 HG22 THR A 30 -10.904 -5.751 -8.845 1.00 0.00 H new ATOM 0 HG23 THR A 30 -9.315 -4.954 -8.782 1.00 0.00 H new ATOM 65 N GLU A 31 -7.710 -6.969 -11.464 1.00 0.00 N ATOM 66 CA GLU A 31 -6.287 -7.193 -11.224 1.00 0.00 C ATOM 67 C GLU A 31 -5.424 -6.262 -12.071 1.00 0.00 C ATOM 68 O GLU A 31 -4.491 -5.637 -11.568 1.00 0.00 O ATOM 69 CB GLU A 31 -5.926 -8.650 -11.520 1.00 0.00 C ATOM 70 CG GLU A 31 -6.685 -9.650 -10.671 1.00 0.00 C ATOM 71 CD GLU A 31 -6.313 -11.087 -10.983 1.00 0.00 C ATOM 72 OE1 GLU A 31 -5.456 -11.302 -11.866 1.00 0.00 O ATOM 73 OE2 GLU A 31 -6.880 -11.999 -10.345 1.00 0.00 O ATOM 0 H GLU A 31 -8.181 -7.733 -11.948 1.00 0.00 H new ATOM 0 HA GLU A 31 -6.088 -6.976 -10.175 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -6.122 -8.857 -12.572 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -4.857 -8.790 -11.361 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -6.489 -9.449 -9.618 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -7.755 -9.514 -10.827 1.00 0.00 H new ATOM 80 N ARG A 32 -5.735 -6.182 -13.360 1.00 0.00 N ATOM 81 CA ARG A 32 -4.981 -5.334 -14.279 1.00 0.00 C ATOM 82 C ARG A 32 -5.209 -3.855 -13.981 1.00 0.00 C ATOM 83 O ARG A 32 -4.273 -3.056 -14.003 1.00 0.00 O ATOM 84 CB ARG A 32 -5.373 -5.641 -15.723 1.00 0.00 C ATOM 85 CG ARG A 32 -4.574 -4.852 -16.746 1.00 0.00 C ATOM 86 CD ARG A 32 -4.971 -5.222 -18.163 1.00 0.00 C ATOM 87 NE ARG A 32 -4.736 -6.635 -18.447 1.00 0.00 N ATOM 88 CZ ARG A 32 -5.003 -7.208 -19.617 1.00 0.00 C ATOM 89 NH1 ARG A 32 -5.513 -6.490 -20.609 1.00 0.00 N ATOM 90 NH2 ARG A 32 -4.758 -8.499 -19.796 1.00 0.00 N ATOM 0 H ARG A 32 -6.504 -6.694 -13.793 1.00 0.00 H new ATOM 0 HA ARG A 32 -3.922 -5.549 -14.140 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -5.237 -6.706 -15.910 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -6.433 -5.427 -15.857 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -4.732 -3.785 -16.589 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -3.510 -5.041 -16.603 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -6.026 -4.992 -18.315 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -4.407 -4.612 -18.868 1.00 0.00 H new ATOM 0 HE ARG A 32 -4.345 -7.216 -17.705 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -5.701 -5.496 -20.475 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -5.717 -6.931 -21.506 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -4.364 -9.054 -19.036 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -4.963 -8.937 -20.694 1.00 0.00 H new ATOM 104 N GLN A 33 -6.459 -3.496 -13.714 1.00 0.00 N ATOM 105 CA GLN A 33 -6.820 -2.112 -13.423 1.00 0.00 C ATOM 106 C GLN A 33 -6.094 -1.583 -12.187 1.00 0.00 C ATOM 107 O GLN A 33 -6.010 -0.373 -11.984 1.00 0.00 O ATOM 108 CB GLN A 33 -8.332 -1.992 -13.228 1.00 0.00 C ATOM 109 CG GLN A 33 -9.139 -2.420 -14.442 1.00 0.00 C ATOM 110 CD GLN A 33 -10.634 -2.298 -14.222 1.00 0.00 C ATOM 111 OE1 GLN A 33 -11.194 -2.923 -13.322 1.00 0.00 O ATOM 112 NE2 GLN A 33 -11.289 -1.489 -15.047 1.00 0.00 N ATOM 0 H GLN A 33 -7.244 -4.147 -13.693 1.00 0.00 H new ATOM 0 HA GLN A 33 -6.512 -1.507 -14.275 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -8.629 -2.599 -12.373 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -8.577 -0.958 -12.985 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -8.851 -1.810 -15.298 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -8.895 -3.453 -14.690 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -10.784 -0.990 -15.780 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -12.297 -1.367 -14.948 1.00 0.00 H new ATOM 121 N LEU A 34 -5.584 -2.491 -11.357 1.00 0.00 N ATOM 122 CA LEU A 34 -4.882 -2.102 -10.135 1.00 0.00 C ATOM 123 C LEU A 34 -3.785 -1.075 -10.412 1.00 0.00 C ATOM 124 O LEU A 34 -3.689 -0.060 -9.722 1.00 0.00 O ATOM 125 CB LEU A 34 -4.270 -3.329 -9.451 1.00 0.00 C ATOM 126 CG LEU A 34 -5.271 -4.381 -8.965 1.00 0.00 C ATOM 127 CD1 LEU A 34 -4.543 -5.540 -8.299 1.00 0.00 C ATOM 128 CD2 LEU A 34 -6.280 -3.762 -8.009 1.00 0.00 C ATOM 0 H LEU A 34 -5.643 -3.498 -11.507 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.619 -1.645 -9.475 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.579 -3.805 -10.147 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.681 -2.992 -8.598 1.00 0.00 H new ATOM 0 HG LEU A 34 -5.813 -4.765 -9.830 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -5.269 -6.279 -7.959 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.863 -6.002 -9.015 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.975 -5.170 -7.445 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -6.982 -4.526 -7.676 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -5.758 -3.348 -7.146 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -6.824 -2.967 -8.519 1.00 0.00 H new ATOM 140 N ARG A 35 -2.950 -1.348 -11.411 1.00 0.00 N ATOM 141 CA ARG A 35 -1.856 -0.444 -11.753 1.00 0.00 C ATOM 142 C ARG A 35 -2.373 0.921 -12.203 1.00 0.00 C ATOM 143 O ARG A 35 -1.931 1.952 -11.701 1.00 0.00 O ATOM 144 CB ARG A 35 -0.969 -1.057 -12.842 1.00 0.00 C ATOM 145 CG ARG A 35 -1.715 -1.417 -14.117 1.00 0.00 C ATOM 146 CD ARG A 35 -0.770 -1.945 -15.184 1.00 0.00 C ATOM 147 NE ARG A 35 -0.035 -3.126 -14.736 1.00 0.00 N ATOM 148 CZ ARG A 35 -0.612 -4.285 -14.431 1.00 0.00 C ATOM 149 NH1 ARG A 35 -1.926 -4.429 -14.543 1.00 0.00 N ATOM 150 NH2 ARG A 35 0.129 -5.306 -14.020 1.00 0.00 N ATOM 0 H ARG A 35 -3.009 -2.182 -11.995 1.00 0.00 H new ATOM 0 HA ARG A 35 -1.261 -0.297 -10.852 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -0.172 -0.354 -13.086 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -0.493 -1.954 -12.446 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -2.473 -2.168 -13.897 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -2.238 -0.538 -14.495 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -1.339 -2.192 -16.081 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -0.063 -1.163 -15.460 1.00 0.00 H new ATOM 0 HE ARG A 35 0.979 -3.058 -14.652 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -2.499 -3.649 -14.864 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -2.363 -5.320 -14.308 1.00 0.00 H new ATOM 0 HH21 ARG A 35 1.140 -5.202 -13.938 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -0.313 -6.195 -13.786 1.00 0.00 H new ATOM 164 N VAL A 36 -3.307 0.923 -13.147 1.00 0.00 N ATOM 165 CA VAL A 36 -3.872 2.168 -13.658 1.00 0.00 C ATOM 166 C VAL A 36 -4.491 2.998 -12.536 1.00 0.00 C ATOM 167 O VAL A 36 -4.382 4.225 -12.522 1.00 0.00 O ATOM 168 CB VAL A 36 -4.944 1.896 -14.734 1.00 0.00 C ATOM 169 CG1 VAL A 36 -5.546 3.200 -15.235 1.00 0.00 C ATOM 170 CG2 VAL A 36 -4.353 1.097 -15.885 1.00 0.00 C ATOM 0 H VAL A 36 -3.689 0.079 -13.574 1.00 0.00 H new ATOM 0 HA VAL A 36 -3.050 2.728 -14.105 1.00 0.00 H new ATOM 0 HB VAL A 36 -5.742 1.306 -14.283 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -6.299 2.985 -15.993 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -6.009 3.730 -14.403 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -4.761 3.820 -15.669 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -5.123 0.914 -16.634 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -3.534 1.659 -16.335 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -3.977 0.144 -15.511 1.00 0.00 H new ATOM 180 N TRP A 37 -5.149 2.319 -11.605 1.00 0.00 N ATOM 181 CA TRP A 37 -5.800 2.979 -10.480 1.00 0.00 C ATOM 182 C TRP A 37 -4.796 3.693 -9.571 1.00 0.00 C ATOM 183 O TRP A 37 -4.770 4.923 -9.510 1.00 0.00 O ATOM 184 CB TRP A 37 -6.625 1.946 -9.687 1.00 0.00 C ATOM 185 CG TRP A 37 -6.750 2.219 -8.212 1.00 0.00 C ATOM 186 CD1 TRP A 37 -6.783 3.435 -7.587 1.00 0.00 C ATOM 187 CD2 TRP A 37 -6.872 1.239 -7.175 1.00 0.00 C ATOM 188 NE1 TRP A 37 -6.872 3.266 -6.230 1.00 0.00 N ATOM 189 CE2 TRP A 37 -6.947 1.929 -5.952 1.00 0.00 C ATOM 190 CE3 TRP A 37 -6.918 -0.158 -7.164 1.00 0.00 C ATOM 191 CZ2 TRP A 37 -7.065 1.270 -4.730 1.00 0.00 C ATOM 192 CZ3 TRP A 37 -7.040 -0.810 -5.952 1.00 0.00 C ATOM 193 CH2 TRP A 37 -7.112 -0.096 -4.749 1.00 0.00 C ATOM 0 H TRP A 37 -5.246 1.304 -11.607 1.00 0.00 H new ATOM 0 HA TRP A 37 -6.464 3.748 -10.874 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -7.625 1.897 -10.117 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -6.172 0.964 -9.821 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -6.745 4.390 -8.090 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -6.881 4.016 -5.539 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -6.859 -0.717 -8.086 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -7.117 1.819 -3.801 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -7.081 -1.889 -5.932 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -7.207 -0.635 -3.818 1.00 0.00 H new ATOM 204 N ILE A 38 -4.000 2.919 -8.840 1.00 0.00 N ATOM 205 CA ILE A 38 -3.031 3.484 -7.906 1.00 0.00 C ATOM 206 C ILE A 38 -2.086 4.475 -8.583 1.00 0.00 C ATOM 207 O ILE A 38 -1.882 5.582 -8.084 1.00 0.00 O ATOM 208 CB ILE A 38 -2.208 2.376 -7.227 1.00 0.00 C ATOM 209 CG1 ILE A 38 -3.129 1.409 -6.477 1.00 0.00 C ATOM 210 CG2 ILE A 38 -1.173 2.978 -6.287 1.00 0.00 C ATOM 211 CD1 ILE A 38 -2.395 0.273 -5.798 1.00 0.00 C ATOM 0 H ILE A 38 -4.006 1.900 -8.876 1.00 0.00 H new ATOM 0 HA ILE A 38 -3.606 4.022 -7.153 1.00 0.00 H new ATOM 0 HB ILE A 38 -1.680 1.815 -7.998 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -3.692 1.965 -5.728 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -3.854 0.994 -7.178 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -0.601 2.179 -5.816 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -0.499 3.622 -6.852 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -1.677 3.565 -5.519 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -3.112 -0.370 -5.288 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -1.854 -0.308 -6.545 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -1.690 0.678 -5.072 1.00 0.00 H new ATOM 223 N GLU A 39 -1.515 4.080 -9.715 1.00 0.00 N ATOM 224 CA GLU A 39 -0.595 4.950 -10.445 1.00 0.00 C ATOM 225 C GLU A 39 -1.272 6.264 -10.822 1.00 0.00 C ATOM 226 O GLU A 39 -0.665 7.330 -10.745 1.00 0.00 O ATOM 227 CB GLU A 39 -0.079 4.249 -11.704 1.00 0.00 C ATOM 228 CG GLU A 39 0.789 3.034 -11.415 1.00 0.00 C ATOM 229 CD GLU A 39 1.196 2.294 -12.673 1.00 0.00 C ATOM 230 OE1 GLU A 39 0.297 1.848 -13.416 1.00 0.00 O ATOM 231 OE2 GLU A 39 2.414 2.160 -12.917 1.00 0.00 O ATOM 0 H GLU A 39 -1.670 3.169 -10.147 1.00 0.00 H new ATOM 0 HA GLU A 39 0.249 5.170 -9.791 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -0.930 3.941 -12.312 1.00 0.00 H new ATOM 0 HB3 GLU A 39 0.495 4.962 -12.297 1.00 0.00 H new ATOM 0 HG2 GLU A 39 1.684 3.351 -10.879 1.00 0.00 H new ATOM 0 HG3 GLU A 39 0.248 2.354 -10.757 1.00 0.00 H new ATOM 238 N GLY A 40 -2.531 6.175 -11.235 1.00 0.00 N ATOM 239 CA GLY A 40 -3.275 7.359 -11.625 1.00 0.00 C ATOM 240 C GLY A 40 -3.498 8.329 -10.479 1.00 0.00 C ATOM 241 O GLY A 40 -3.461 9.544 -10.674 1.00 0.00 O ATOM 0 H GLY A 40 -3.052 5.301 -11.307 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.740 7.869 -12.426 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -4.241 7.056 -12.030 1.00 0.00 H new ATOM 245 N ALA A 41 -3.748 7.795 -9.285 1.00 0.00 N ATOM 246 CA ALA A 41 -3.996 8.626 -8.109 1.00 0.00 C ATOM 247 C ALA A 41 -2.872 9.633 -7.878 1.00 0.00 C ATOM 248 O ALA A 41 -3.079 10.842 -7.985 1.00 0.00 O ATOM 249 CB ALA A 41 -4.176 7.752 -6.876 1.00 0.00 C ATOM 0 H ALA A 41 -3.784 6.791 -9.107 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.912 9.188 -8.291 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -4.360 8.383 -6.006 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -5.024 7.083 -7.025 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -3.273 7.163 -6.712 1.00 0.00 H new ATOM 255 N THR A 42 -1.685 9.130 -7.557 1.00 0.00 N ATOM 256 CA THR A 42 -0.534 9.989 -7.305 1.00 0.00 C ATOM 257 C THR A 42 0.101 10.464 -8.607 1.00 0.00 C ATOM 258 O THR A 42 0.369 11.653 -8.784 1.00 0.00 O ATOM 259 CB THR A 42 0.534 9.264 -6.465 1.00 0.00 C ATOM 260 OG1 THR A 42 1.000 8.101 -7.160 1.00 0.00 O ATOM 261 CG2 THR A 42 -0.031 8.859 -5.111 1.00 0.00 C ATOM 0 H THR A 42 -1.495 8.132 -7.465 1.00 0.00 H new ATOM 0 HA THR A 42 -0.904 10.851 -6.750 1.00 0.00 H new ATOM 0 HB THR A 42 1.367 9.948 -6.306 1.00 0.00 H new ATOM 0 HG1 THR A 42 0.358 7.370 -7.042 1.00 0.00 H new ATOM 0 HG21 THR A 42 0.739 8.348 -4.533 1.00 0.00 H new ATOM 0 HG22 THR A 42 -0.359 9.748 -4.573 1.00 0.00 H new ATOM 0 HG23 THR A 42 -0.879 8.190 -5.256 1.00 0.00 H new ATOM 269 N GLY A 43 0.346 9.523 -9.512 1.00 0.00 N ATOM 270 CA GLY A 43 0.958 9.852 -10.785 1.00 0.00 C ATOM 271 C GLY A 43 2.351 9.274 -10.899 1.00 0.00 C ATOM 272 O GLY A 43 3.272 9.939 -11.376 1.00 0.00 O ATOM 0 H GLY A 43 0.130 8.534 -9.385 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.338 9.471 -11.597 1.00 0.00 H new ATOM 0 HA3 GLY A 43 1.002 10.935 -10.899 1.00 0.00 H new ATOM 276 N ARG A 44 2.505 8.031 -10.451 1.00 0.00 N ATOM 277 CA ARG A 44 3.794 7.355 -10.490 1.00 0.00 C ATOM 278 C ARG A 44 3.657 5.959 -11.084 1.00 0.00 C ATOM 279 O ARG A 44 2.790 5.186 -10.677 1.00 0.00 O ATOM 280 CB ARG A 44 4.374 7.244 -9.079 1.00 0.00 C ATOM 281 CG ARG A 44 4.365 8.548 -8.299 1.00 0.00 C ATOM 282 CD ARG A 44 5.160 9.624 -9.011 1.00 0.00 C ATOM 283 NE ARG A 44 5.132 10.895 -8.294 1.00 0.00 N ATOM 284 CZ ARG A 44 5.750 11.995 -8.715 1.00 0.00 C ATOM 285 NH1 ARG A 44 6.445 11.978 -9.845 1.00 0.00 N ATOM 286 NH2 ARG A 44 5.675 13.113 -8.006 1.00 0.00 N ATOM 0 H ARG A 44 1.749 7.472 -10.056 1.00 0.00 H new ATOM 0 HA ARG A 44 4.463 7.944 -11.118 1.00 0.00 H new ATOM 0 HB2 ARG A 44 3.808 6.497 -8.523 1.00 0.00 H new ATOM 0 HB3 ARG A 44 5.400 6.881 -9.147 1.00 0.00 H new ATOM 0 HG2 ARG A 44 3.337 8.884 -8.161 1.00 0.00 H new ATOM 0 HG3 ARG A 44 4.782 8.382 -7.306 1.00 0.00 H new ATOM 0 HD2 ARG A 44 6.193 9.295 -9.124 1.00 0.00 H new ATOM 0 HD3 ARG A 44 4.759 9.766 -10.015 1.00 0.00 H new ATOM 0 HE ARG A 44 4.608 10.942 -7.420 1.00 0.00 H new ATOM 0 HH11 ARG A 44 6.506 11.120 -10.393 1.00 0.00 H new ATOM 0 HH12 ARG A 44 6.918 12.823 -10.166 1.00 0.00 H new ATOM 0 HH21 ARG A 44 5.143 13.130 -7.136 1.00 0.00 H new ATOM 0 HH22 ARG A 44 6.150 13.956 -8.331 1.00 0.00 H new ATOM 300 N ARG A 45 4.524 5.635 -12.036 1.00 0.00 N ATOM 301 CA ARG A 45 4.501 4.323 -12.670 1.00 0.00 C ATOM 302 C ARG A 45 5.271 3.308 -11.830 1.00 0.00 C ATOM 303 O ARG A 45 5.915 2.410 -12.367 1.00 0.00 O ATOM 304 CB ARG A 45 5.100 4.404 -14.076 1.00 0.00 C ATOM 305 CG ARG A 45 4.359 5.353 -15.004 1.00 0.00 C ATOM 306 CD ARG A 45 2.922 4.908 -15.230 1.00 0.00 C ATOM 307 NE ARG A 45 2.198 5.822 -16.110 1.00 0.00 N ATOM 308 CZ ARG A 45 0.928 5.651 -16.467 1.00 0.00 C ATOM 309 NH1 ARG A 45 0.246 4.604 -16.023 1.00 0.00 N ATOM 310 NH2 ARG A 45 0.340 6.528 -17.268 1.00 0.00 N ATOM 0 H ARG A 45 5.250 6.261 -12.385 1.00 0.00 H new ATOM 0 HA ARG A 45 3.464 3.995 -12.746 1.00 0.00 H new ATOM 0 HB2 ARG A 45 6.140 4.723 -14.000 1.00 0.00 H new ATOM 0 HB3 ARG A 45 5.103 3.407 -14.518 1.00 0.00 H new ATOM 0 HG2 ARG A 45 4.367 6.357 -14.580 1.00 0.00 H new ATOM 0 HG3 ARG A 45 4.879 5.407 -15.961 1.00 0.00 H new ATOM 0 HD2 ARG A 45 2.916 3.908 -15.663 1.00 0.00 H new ATOM 0 HD3 ARG A 45 2.407 4.844 -14.271 1.00 0.00 H new ATOM 0 HE ARG A 45 2.694 6.637 -16.471 1.00 0.00 H new ATOM 0 HH11 ARG A 45 0.695 3.927 -15.406 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -0.728 4.476 -16.298 1.00 0.00 H new ATOM 0 HH21 ARG A 45 0.861 7.335 -17.611 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -0.634 6.396 -17.541 1.00 0.00 H new ATOM 324 N ILE A 46 5.188 3.465 -10.508 1.00 0.00 N ATOM 325 CA ILE A 46 5.864 2.579 -9.565 1.00 0.00 C ATOM 326 C ILE A 46 7.379 2.605 -9.760 1.00 0.00 C ATOM 327 O ILE A 46 8.108 3.187 -8.956 1.00 0.00 O ATOM 328 CB ILE A 46 5.349 1.135 -9.700 1.00 0.00 C ATOM 329 CG1 ILE A 46 3.871 1.062 -9.308 1.00 0.00 C ATOM 330 CG2 ILE A 46 6.182 0.185 -8.848 1.00 0.00 C ATOM 331 CD1 ILE A 46 3.264 -0.315 -9.476 1.00 0.00 C ATOM 0 H ILE A 46 4.651 4.209 -10.063 1.00 0.00 H new ATOM 0 HA ILE A 46 5.638 2.945 -8.563 1.00 0.00 H new ATOM 0 HB ILE A 46 5.446 0.827 -10.741 1.00 0.00 H new ATOM 0 HG12 ILE A 46 3.764 1.372 -8.269 1.00 0.00 H new ATOM 0 HG13 ILE A 46 3.308 1.774 -9.912 1.00 0.00 H new ATOM 0 HG21 ILE A 46 5.802 -0.831 -8.958 1.00 0.00 H new ATOM 0 HG22 ILE A 46 7.221 0.220 -9.174 1.00 0.00 H new ATOM 0 HG23 ILE A 46 6.120 0.485 -7.802 1.00 0.00 H new ATOM 0 HD11 ILE A 46 2.216 -0.289 -9.179 1.00 0.00 H new ATOM 0 HD12 ILE A 46 3.338 -0.620 -10.520 1.00 0.00 H new ATOM 0 HD13 ILE A 46 3.801 -1.028 -8.850 1.00 0.00 H new ATOM 343 N GLY A 47 7.845 1.974 -10.832 1.00 0.00 N ATOM 344 CA GLY A 47 9.268 1.937 -11.118 1.00 0.00 C ATOM 345 C GLY A 47 9.602 0.981 -12.246 1.00 0.00 C ATOM 346 O GLY A 47 10.302 1.345 -13.192 1.00 0.00 O ATOM 0 H GLY A 47 7.261 1.486 -11.511 1.00 0.00 H new ATOM 0 HA2 GLY A 47 9.610 2.938 -11.380 1.00 0.00 H new ATOM 0 HA3 GLY A 47 9.809 1.640 -10.220 1.00 0.00 H new ATOM 350 N ASP A 48 9.096 -0.245 -12.144 1.00 0.00 N ATOM 351 CA ASP A 48 9.332 -1.270 -13.157 1.00 0.00 C ATOM 352 C ASP A 48 8.589 -2.551 -12.796 1.00 0.00 C ATOM 353 O ASP A 48 7.824 -3.087 -13.598 1.00 0.00 O ATOM 354 CB ASP A 48 10.830 -1.555 -13.290 1.00 0.00 C ATOM 355 CG ASP A 48 11.142 -2.557 -14.386 1.00 0.00 C ATOM 356 OD1 ASP A 48 10.196 -3.007 -15.069 1.00 0.00 O ATOM 357 OD2 ASP A 48 12.331 -2.889 -14.566 1.00 0.00 O ATOM 0 H ASP A 48 8.516 -0.554 -11.364 1.00 0.00 H new ATOM 0 HA ASP A 48 8.959 -0.902 -14.113 1.00 0.00 H new ATOM 0 HB2 ASP A 48 11.356 -0.623 -13.496 1.00 0.00 H new ATOM 0 HB3 ASP A 48 11.209 -1.932 -12.340 1.00 0.00 H new ATOM 362 N ASN A 49 8.815 -3.030 -11.577 1.00 0.00 N ATOM 363 CA ASN A 49 8.164 -4.242 -11.093 1.00 0.00 C ATOM 364 C ASN A 49 6.698 -3.965 -10.761 1.00 0.00 C ATOM 365 O ASN A 49 5.956 -3.440 -11.591 1.00 0.00 O ATOM 366 CB ASN A 49 8.902 -4.783 -9.865 1.00 0.00 C ATOM 367 CG ASN A 49 10.344 -5.139 -10.165 1.00 0.00 C ATOM 368 OD1 ASN A 49 11.135 -4.287 -10.570 1.00 0.00 O ATOM 369 ND2 ASN A 49 10.695 -6.404 -9.969 1.00 0.00 N ATOM 0 H ASN A 49 9.446 -2.595 -10.904 1.00 0.00 H new ATOM 0 HA ASN A 49 8.199 -4.996 -11.879 1.00 0.00 H new ATOM 0 HB2 ASN A 49 8.873 -4.038 -9.070 1.00 0.00 H new ATOM 0 HB3 ASN A 49 8.383 -5.666 -9.493 1.00 0.00 H new ATOM 0 HD21 ASN A 49 11.652 -6.702 -10.155 1.00 0.00 H new ATOM 0 HD22 ASN A 49 10.007 -7.078 -9.632 1.00 0.00 H new ATOM 376 N PHE A 50 6.285 -4.313 -9.544 1.00 0.00 N ATOM 377 CA PHE A 50 4.911 -4.092 -9.110 1.00 0.00 C ATOM 378 C PHE A 50 4.798 -4.233 -7.596 1.00 0.00 C ATOM 379 O PHE A 50 4.263 -3.355 -6.921 1.00 0.00 O ATOM 380 CB PHE A 50 3.967 -5.080 -9.804 1.00 0.00 C ATOM 381 CG PHE A 50 2.516 -4.867 -9.471 1.00 0.00 C ATOM 382 CD1 PHE A 50 1.959 -3.598 -9.507 1.00 0.00 C ATOM 383 CD2 PHE A 50 1.708 -5.938 -9.124 1.00 0.00 C ATOM 384 CE1 PHE A 50 0.625 -3.402 -9.203 1.00 0.00 C ATOM 385 CE2 PHE A 50 0.374 -5.748 -8.818 1.00 0.00 C ATOM 386 CZ PHE A 50 -0.168 -4.479 -8.858 1.00 0.00 C ATOM 0 H PHE A 50 6.884 -4.749 -8.843 1.00 0.00 H new ATOM 0 HA PHE A 50 4.623 -3.078 -9.387 1.00 0.00 H new ATOM 0 HB2 PHE A 50 4.099 -4.998 -10.883 1.00 0.00 H new ATOM 0 HB3 PHE A 50 4.249 -6.095 -9.525 1.00 0.00 H new ATOM 0 HD1 PHE A 50 2.575 -2.752 -9.776 1.00 0.00 H new ATOM 0 HD2 PHE A 50 2.126 -6.933 -9.092 1.00 0.00 H new ATOM 0 HE1 PHE A 50 0.203 -2.408 -9.235 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -0.244 -6.591 -8.548 1.00 0.00 H new ATOM 0 HZ PHE A 50 -1.211 -4.329 -8.620 1.00 0.00 H new ATOM 396 N MET A 51 5.314 -5.339 -7.067 1.00 0.00 N ATOM 397 CA MET A 51 5.281 -5.587 -5.629 1.00 0.00 C ATOM 398 C MET A 51 6.473 -4.929 -4.954 1.00 0.00 C ATOM 399 O MET A 51 6.331 -4.209 -3.967 1.00 0.00 O ATOM 400 CB MET A 51 5.313 -7.089 -5.349 1.00 0.00 C ATOM 401 CG MET A 51 4.328 -7.876 -6.183 1.00 0.00 C ATOM 402 SD MET A 51 2.622 -7.383 -5.883 1.00 0.00 S ATOM 403 CE MET A 51 1.758 -8.555 -6.919 1.00 0.00 C ATOM 0 H MET A 51 5.760 -6.077 -7.612 1.00 0.00 H new ATOM 0 HA MET A 51 4.359 -5.164 -5.230 1.00 0.00 H new ATOM 0 HB2 MET A 51 6.319 -7.465 -5.537 1.00 0.00 H new ATOM 0 HB3 MET A 51 5.101 -7.259 -4.293 1.00 0.00 H new ATOM 0 HG2 MET A 51 4.562 -7.741 -7.239 1.00 0.00 H new ATOM 0 HG3 MET A 51 4.440 -8.938 -5.965 1.00 0.00 H new ATOM 0 HE1 MET A 51 0.690 -8.338 -6.901 1.00 0.00 H new ATOM 0 HE2 MET A 51 2.127 -8.478 -7.942 1.00 0.00 H new ATOM 0 HE3 MET A 51 1.929 -9.565 -6.547 1.00 0.00 H new ATOM 413 N ASP A 52 7.650 -5.198 -5.502 1.00 0.00 N ATOM 414 CA ASP A 52 8.892 -4.658 -4.975 1.00 0.00 C ATOM 415 C ASP A 52 8.819 -3.142 -4.816 1.00 0.00 C ATOM 416 O ASP A 52 9.259 -2.593 -3.806 1.00 0.00 O ATOM 417 CB ASP A 52 10.047 -5.032 -5.902 1.00 0.00 C ATOM 418 CG ASP A 52 10.216 -6.531 -6.042 1.00 0.00 C ATOM 419 OD1 ASP A 52 9.266 -7.197 -6.505 1.00 0.00 O ATOM 420 OD2 ASP A 52 11.301 -7.041 -5.689 1.00 0.00 O ATOM 0 H ASP A 52 7.769 -5.794 -6.321 1.00 0.00 H new ATOM 0 HA ASP A 52 9.059 -5.088 -3.988 1.00 0.00 H new ATOM 0 HB2 ASP A 52 9.875 -4.595 -6.886 1.00 0.00 H new ATOM 0 HB3 ASP A 52 10.971 -4.600 -5.519 1.00 0.00 H new ATOM 425 N GLY A 53 8.268 -2.471 -5.819 1.00 0.00 N ATOM 426 CA GLY A 53 8.155 -1.025 -5.768 1.00 0.00 C ATOM 427 C GLY A 53 7.313 -0.540 -4.603 1.00 0.00 C ATOM 428 O GLY A 53 7.631 0.470 -3.979 1.00 0.00 O ATOM 0 H GLY A 53 7.897 -2.901 -6.666 1.00 0.00 H new ATOM 0 HA2 GLY A 53 9.152 -0.590 -5.695 1.00 0.00 H new ATOM 0 HA3 GLY A 53 7.718 -0.667 -6.700 1.00 0.00 H new ATOM 432 N LEU A 54 6.229 -1.254 -4.319 1.00 0.00 N ATOM 433 CA LEU A 54 5.324 -0.891 -3.231 1.00 0.00 C ATOM 434 C LEU A 54 6.025 -0.910 -1.873 1.00 0.00 C ATOM 435 O LEU A 54 5.684 -0.134 -0.981 1.00 0.00 O ATOM 436 CB LEU A 54 4.128 -1.845 -3.204 1.00 0.00 C ATOM 437 CG LEU A 54 3.307 -1.901 -4.494 1.00 0.00 C ATOM 438 CD1 LEU A 54 2.172 -2.904 -4.360 1.00 0.00 C ATOM 439 CD2 LEU A 54 2.765 -0.525 -4.845 1.00 0.00 C ATOM 0 H LEU A 54 5.953 -2.093 -4.830 1.00 0.00 H new ATOM 0 HA LEU A 54 4.983 0.127 -3.417 1.00 0.00 H new ATOM 0 HB2 LEU A 54 4.490 -2.848 -2.979 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.469 -1.553 -2.386 1.00 0.00 H new ATOM 0 HG LEU A 54 3.961 -2.227 -5.303 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.599 -2.931 -5.287 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.583 -3.893 -4.159 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.520 -2.608 -3.538 1.00 0.00 H new ATOM 0 HD21 LEU A 54 2.184 -0.587 -5.765 1.00 0.00 H new ATOM 0 HD22 LEU A 54 2.127 -0.168 -4.036 1.00 0.00 H new ATOM 0 HD23 LEU A 54 3.595 0.168 -4.985 1.00 0.00 H new ATOM 451 N LYS A 55 6.982 -1.820 -1.715 1.00 0.00 N ATOM 452 CA LYS A 55 7.714 -1.966 -0.457 1.00 0.00 C ATOM 453 C LYS A 55 8.228 -0.630 0.081 1.00 0.00 C ATOM 454 O LYS A 55 8.237 -0.409 1.292 1.00 0.00 O ATOM 455 CB LYS A 55 8.887 -2.924 -0.649 1.00 0.00 C ATOM 456 CG LYS A 55 8.489 -4.246 -1.284 1.00 0.00 C ATOM 457 CD LYS A 55 9.674 -5.191 -1.403 1.00 0.00 C ATOM 458 CE LYS A 55 10.814 -4.569 -2.192 1.00 0.00 C ATOM 459 NZ LYS A 55 11.982 -5.487 -2.301 1.00 0.00 N ATOM 0 H LYS A 55 7.271 -2.471 -2.445 1.00 0.00 H new ATOM 0 HA LYS A 55 7.015 -2.366 0.277 1.00 0.00 H new ATOM 0 HB2 LYS A 55 9.641 -2.443 -1.272 1.00 0.00 H new ATOM 0 HB3 LYS A 55 9.349 -3.119 0.319 1.00 0.00 H new ATOM 0 HG2 LYS A 55 7.707 -4.716 -0.687 1.00 0.00 H new ATOM 0 HG3 LYS A 55 8.069 -4.063 -2.273 1.00 0.00 H new ATOM 0 HD2 LYS A 55 10.026 -5.460 -0.407 1.00 0.00 H new ATOM 0 HD3 LYS A 55 9.356 -6.113 -1.889 1.00 0.00 H new ATOM 0 HE2 LYS A 55 10.464 -4.308 -3.191 1.00 0.00 H new ATOM 0 HE3 LYS A 55 11.125 -3.642 -1.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 12.536 -5.245 -3.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 12.581 -5.389 -1.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 11.646 -6.469 -2.375 1.00 0.00 H new ATOM 473 N ASP A 56 8.675 0.249 -0.812 1.00 0.00 N ATOM 474 CA ASP A 56 9.211 1.547 -0.400 1.00 0.00 C ATOM 475 C ASP A 56 8.258 2.288 0.536 1.00 0.00 C ATOM 476 O ASP A 56 8.698 3.017 1.426 1.00 0.00 O ATOM 477 CB ASP A 56 9.537 2.416 -1.618 1.00 0.00 C ATOM 478 CG ASP A 56 8.325 2.716 -2.482 1.00 0.00 C ATOM 479 OD1 ASP A 56 7.224 2.223 -2.161 1.00 0.00 O ATOM 480 OD2 ASP A 56 8.480 3.441 -3.486 1.00 0.00 O ATOM 0 H ASP A 56 8.678 0.090 -1.819 1.00 0.00 H new ATOM 0 HA ASP A 56 10.132 1.351 0.150 1.00 0.00 H new ATOM 0 HB2 ASP A 56 9.975 3.355 -1.279 1.00 0.00 H new ATOM 0 HB3 ASP A 56 10.291 1.913 -2.224 1.00 0.00 H new ATOM 485 N GLY A 57 6.957 2.106 0.337 1.00 0.00 N ATOM 486 CA GLY A 57 5.983 2.776 1.180 1.00 0.00 C ATOM 487 C GLY A 57 5.975 4.278 0.966 1.00 0.00 C ATOM 488 O GLY A 57 6.375 5.039 1.846 1.00 0.00 O ATOM 0 H GLY A 57 6.560 1.510 -0.389 1.00 0.00 H new ATOM 0 HA2 GLY A 57 4.990 2.376 0.973 1.00 0.00 H new ATOM 0 HA3 GLY A 57 6.202 2.561 2.226 1.00 0.00 H new ATOM 492 N VAL A 58 5.518 4.703 -0.207 1.00 0.00 N ATOM 493 CA VAL A 58 5.459 6.123 -0.540 1.00 0.00 C ATOM 494 C VAL A 58 4.264 6.414 -1.434 1.00 0.00 C ATOM 495 O VAL A 58 3.419 7.242 -1.109 1.00 0.00 O ATOM 496 CB VAL A 58 6.732 6.592 -1.272 1.00 0.00 C ATOM 497 CG1 VAL A 58 6.677 8.091 -1.528 1.00 0.00 C ATOM 498 CG2 VAL A 58 7.980 6.230 -0.480 1.00 0.00 C ATOM 0 H VAL A 58 5.182 4.084 -0.945 1.00 0.00 H new ATOM 0 HA VAL A 58 5.368 6.662 0.403 1.00 0.00 H new ATOM 0 HB VAL A 58 6.781 6.078 -2.232 1.00 0.00 H new ATOM 0 HG11 VAL A 58 7.583 8.405 -2.045 1.00 0.00 H new ATOM 0 HG12 VAL A 58 5.808 8.323 -2.144 1.00 0.00 H new ATOM 0 HG13 VAL A 58 6.600 8.620 -0.578 1.00 0.00 H new ATOM 0 HG21 VAL A 58 8.864 6.572 -1.018 1.00 0.00 H new ATOM 0 HG22 VAL A 58 7.942 6.710 0.498 1.00 0.00 H new ATOM 0 HG23 VAL A 58 8.029 5.149 -0.352 1.00 0.00 H new ATOM 508 N ILE A 59 4.197 5.725 -2.565 1.00 0.00 N ATOM 509 CA ILE A 59 3.099 5.915 -3.499 1.00 0.00 C ATOM 510 C ILE A 59 1.791 5.421 -2.893 1.00 0.00 C ATOM 511 O ILE A 59 0.758 6.083 -2.997 1.00 0.00 O ATOM 512 CB ILE A 59 3.362 5.185 -4.832 1.00 0.00 C ATOM 513 CG1 ILE A 59 4.640 5.724 -5.482 1.00 0.00 C ATOM 514 CG2 ILE A 59 2.171 5.338 -5.769 1.00 0.00 C ATOM 515 CD1 ILE A 59 5.007 5.036 -6.778 1.00 0.00 C ATOM 0 H ILE A 59 4.887 5.033 -2.856 1.00 0.00 H new ATOM 0 HA ILE A 59 3.022 6.983 -3.701 1.00 0.00 H new ATOM 0 HB ILE A 59 3.498 4.122 -4.631 1.00 0.00 H new ATOM 0 HG12 ILE A 59 4.518 6.791 -5.671 1.00 0.00 H new ATOM 0 HG13 ILE A 59 5.466 5.617 -4.779 1.00 0.00 H new ATOM 0 HG21 ILE A 59 2.375 4.817 -6.704 1.00 0.00 H new ATOM 0 HG22 ILE A 59 1.283 4.912 -5.302 1.00 0.00 H new ATOM 0 HG23 ILE A 59 2.002 6.395 -5.972 1.00 0.00 H new ATOM 0 HD11 ILE A 59 5.923 5.474 -7.176 1.00 0.00 H new ATOM 0 HD12 ILE A 59 5.163 3.973 -6.594 1.00 0.00 H new ATOM 0 HD13 ILE A 59 4.200 5.165 -7.499 1.00 0.00 H new ATOM 527 N LEU A 60 1.844 4.259 -2.249 1.00 0.00 N ATOM 528 CA LEU A 60 0.664 3.687 -1.616 1.00 0.00 C ATOM 529 C LEU A 60 0.216 4.550 -0.444 1.00 0.00 C ATOM 530 O LEU A 60 -0.971 4.845 -0.300 1.00 0.00 O ATOM 531 CB LEU A 60 0.942 2.259 -1.145 1.00 0.00 C ATOM 532 CG LEU A 60 1.238 1.258 -2.263 1.00 0.00 C ATOM 533 CD1 LEU A 60 1.487 -0.126 -1.682 1.00 0.00 C ATOM 534 CD2 LEU A 60 0.093 1.221 -3.266 1.00 0.00 C ATOM 0 H LEU A 60 2.690 3.697 -2.153 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.137 3.658 -2.354 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.789 2.277 -0.459 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.081 1.905 -0.579 1.00 0.00 H new ATOM 0 HG LEU A 60 2.139 1.580 -2.786 1.00 0.00 H new ATOM 0 HD11 LEU A 60 1.696 -0.827 -2.490 1.00 0.00 H new ATOM 0 HD12 LEU A 60 2.340 -0.088 -1.004 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.603 -0.455 -1.135 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.322 0.503 -4.054 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -0.825 0.923 -2.759 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.039 2.210 -3.704 1.00 0.00 H new ATOM 546 N CYS A 61 1.170 4.967 0.386 1.00 0.00 N ATOM 547 CA CYS A 61 0.859 5.812 1.531 1.00 0.00 C ATOM 548 C CYS A 61 0.194 7.092 1.039 1.00 0.00 C ATOM 549 O CYS A 61 -0.739 7.604 1.656 1.00 0.00 O ATOM 550 CB CYS A 61 2.127 6.134 2.329 1.00 0.00 C ATOM 551 SG CYS A 61 3.134 7.465 1.639 1.00 0.00 S ATOM 0 H CYS A 61 2.158 4.734 0.286 1.00 0.00 H new ATOM 0 HA CYS A 61 0.176 5.282 2.195 1.00 0.00 H new ATOM 0 HB2 CYS A 61 1.842 6.402 3.346 1.00 0.00 H new ATOM 0 HB3 CYS A 61 2.737 5.233 2.396 1.00 0.00 H new ATOM 0 HG CYS A 61 3.079 7.422 0.341 1.00 0.00 H new ATOM 557 N GLU A 62 0.678 7.588 -0.094 1.00 0.00 N ATOM 558 CA GLU A 62 0.144 8.782 -0.713 1.00 0.00 C ATOM 559 C GLU A 62 -1.269 8.536 -1.239 1.00 0.00 C ATOM 560 O GLU A 62 -2.113 9.432 -1.234 1.00 0.00 O ATOM 561 CB GLU A 62 1.071 9.200 -1.848 1.00 0.00 C ATOM 562 CG GLU A 62 2.356 9.842 -1.361 1.00 0.00 C ATOM 563 CD GLU A 62 2.142 11.226 -0.778 1.00 0.00 C ATOM 564 OE1 GLU A 62 0.985 11.697 -0.769 1.00 0.00 O ATOM 565 OE2 GLU A 62 3.134 11.841 -0.332 1.00 0.00 O ATOM 0 H GLU A 62 1.454 7.168 -0.606 1.00 0.00 H new ATOM 0 HA GLU A 62 0.085 9.579 0.028 1.00 0.00 H new ATOM 0 HB2 GLU A 62 1.315 8.325 -2.451 1.00 0.00 H new ATOM 0 HB3 GLU A 62 0.546 9.900 -2.499 1.00 0.00 H new ATOM 0 HG2 GLU A 62 2.812 9.202 -0.606 1.00 0.00 H new ATOM 0 HG3 GLU A 62 3.060 9.908 -2.190 1.00 0.00 H new ATOM 572 N LEU A 63 -1.508 7.312 -1.703 1.00 0.00 N ATOM 573 CA LEU A 63 -2.805 6.927 -2.248 1.00 0.00 C ATOM 574 C LEU A 63 -3.889 6.856 -1.174 1.00 0.00 C ATOM 575 O LEU A 63 -4.982 7.393 -1.356 1.00 0.00 O ATOM 576 CB LEU A 63 -2.687 5.572 -2.947 1.00 0.00 C ATOM 577 CG LEU A 63 -4.015 4.903 -3.288 1.00 0.00 C ATOM 578 CD1 LEU A 63 -4.837 5.778 -4.223 1.00 0.00 C ATOM 579 CD2 LEU A 63 -3.780 3.534 -3.903 1.00 0.00 C ATOM 0 H LEU A 63 -0.813 6.565 -1.712 1.00 0.00 H new ATOM 0 HA LEU A 63 -3.101 7.697 -2.961 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -2.117 5.703 -3.867 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.112 4.900 -2.309 1.00 0.00 H new ATOM 0 HG LEU A 63 -4.578 4.773 -2.364 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -5.779 5.281 -4.452 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -5.039 6.735 -3.742 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.282 5.946 -5.146 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -4.738 3.072 -4.140 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -3.194 3.641 -4.816 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -3.239 2.905 -3.196 1.00 0.00 H new ATOM 591 N ILE A 64 -3.598 6.175 -0.068 1.00 0.00 N ATOM 592 CA ILE A 64 -4.573 6.026 1.007 1.00 0.00 C ATOM 593 C ILE A 64 -5.072 7.379 1.503 1.00 0.00 C ATOM 594 O ILE A 64 -6.249 7.530 1.813 1.00 0.00 O ATOM 595 CB ILE A 64 -4.010 5.216 2.191 1.00 0.00 C ATOM 596 CG1 ILE A 64 -5.072 5.042 3.275 1.00 0.00 C ATOM 597 CG2 ILE A 64 -2.769 5.882 2.760 1.00 0.00 C ATOM 598 CD1 ILE A 64 -6.293 4.274 2.816 1.00 0.00 C ATOM 0 H ILE A 64 -2.701 5.721 0.106 1.00 0.00 H new ATOM 0 HA ILE A 64 -5.412 5.475 0.583 1.00 0.00 H new ATOM 0 HB ILE A 64 -3.727 4.229 1.824 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -4.628 4.525 4.126 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -5.384 6.026 3.626 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -2.390 5.292 3.594 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -2.005 5.949 1.986 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -3.021 6.884 3.109 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -7.002 4.191 3.640 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -6.763 4.800 1.985 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -5.995 3.277 2.492 1.00 0.00 H new ATOM 610 N ASN A 65 -4.181 8.363 1.570 1.00 0.00 N ATOM 611 CA ASN A 65 -4.564 9.697 2.022 1.00 0.00 C ATOM 612 C ASN A 65 -5.769 10.206 1.236 1.00 0.00 C ATOM 613 O ASN A 65 -6.559 11.004 1.740 1.00 0.00 O ATOM 614 CB ASN A 65 -3.397 10.676 1.890 1.00 0.00 C ATOM 615 CG ASN A 65 -2.317 10.429 2.923 1.00 0.00 C ATOM 616 OD1 ASN A 65 -2.577 10.461 4.126 1.00 0.00 O ATOM 617 ND2 ASN A 65 -1.096 10.191 2.462 1.00 0.00 N ATOM 0 H ASN A 65 -3.197 8.264 1.320 1.00 0.00 H new ATOM 0 HA ASN A 65 -4.837 9.628 3.075 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -2.967 10.592 0.892 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -3.768 11.696 1.993 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -0.328 10.025 3.113 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -0.925 10.174 1.457 1.00 0.00 H new ATOM 624 N LYS A 66 -5.907 9.730 0.002 1.00 0.00 N ATOM 625 CA LYS A 66 -7.009 10.121 -0.851 1.00 0.00 C ATOM 626 C LYS A 66 -8.313 9.505 -0.360 1.00 0.00 C ATOM 627 O LYS A 66 -9.316 10.197 -0.185 1.00 0.00 O ATOM 628 CB LYS A 66 -6.731 9.671 -2.281 1.00 0.00 C ATOM 629 CG LYS A 66 -5.490 10.299 -2.890 1.00 0.00 C ATOM 630 CD LYS A 66 -5.589 11.814 -2.938 1.00 0.00 C ATOM 631 CE LYS A 66 -6.560 12.283 -4.009 1.00 0.00 C ATOM 632 NZ LYS A 66 -7.965 11.891 -3.710 1.00 0.00 N ATOM 0 H LYS A 66 -5.260 9.068 -0.426 1.00 0.00 H new ATOM 0 HA LYS A 66 -7.107 11.206 -0.822 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -6.623 8.586 -2.296 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -7.593 9.914 -2.903 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -4.614 10.010 -2.309 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -5.345 9.912 -3.899 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -5.911 12.188 -1.966 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -4.603 12.237 -3.131 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -6.500 13.367 -4.101 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -6.266 11.865 -4.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -8.614 12.612 -4.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -8.172 10.974 -4.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -8.092 11.812 -2.681 1.00 0.00 H new ATOM 646 N LEU A 67 -8.285 8.194 -0.141 1.00 0.00 N ATOM 647 CA LEU A 67 -9.456 7.466 0.328 1.00 0.00 C ATOM 648 C LEU A 67 -9.729 7.768 1.798 1.00 0.00 C ATOM 649 O LEU A 67 -10.808 8.239 2.157 1.00 0.00 O ATOM 650 CB LEU A 67 -9.246 5.963 0.139 1.00 0.00 C ATOM 651 CG LEU A 67 -8.787 5.543 -1.261 1.00 0.00 C ATOM 652 CD1 LEU A 67 -8.568 4.039 -1.319 1.00 0.00 C ATOM 653 CD2 LEU A 67 -9.799 5.975 -2.312 1.00 0.00 C ATOM 0 H LEU A 67 -7.459 7.613 -0.282 1.00 0.00 H new ATOM 0 HA LEU A 67 -10.317 7.788 -0.257 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -8.508 5.621 0.865 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -10.180 5.450 0.368 1.00 0.00 H new ATOM 0 HG LEU A 67 -7.841 6.040 -1.474 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -8.242 3.757 -2.320 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -7.804 3.754 -0.595 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -9.500 3.526 -1.083 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -9.453 5.667 -3.299 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -10.762 5.509 -2.103 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -9.908 7.059 -2.288 1.00 0.00 H new ATOM 665 N GLN A 68 -8.740 7.492 2.643 1.00 0.00 N ATOM 666 CA GLN A 68 -8.865 7.730 4.074 1.00 0.00 C ATOM 667 C GLN A 68 -8.116 8.998 4.485 1.00 0.00 C ATOM 668 O GLN A 68 -6.974 9.218 4.081 1.00 0.00 O ATOM 669 CB GLN A 68 -8.337 6.531 4.861 1.00 0.00 C ATOM 670 CG GLN A 68 -8.499 6.674 6.366 1.00 0.00 C ATOM 671 CD GLN A 68 -7.896 5.517 7.143 1.00 0.00 C ATOM 672 OE1 GLN A 68 -7.323 4.550 6.433 1.00 0.00 O flip ATOM 673 NE2 GLN A 68 -7.945 5.493 8.373 1.00 0.00 N flip ATOM 0 H GLN A 68 -7.841 7.102 2.359 1.00 0.00 H new ATOM 0 HA GLN A 68 -9.922 7.866 4.302 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -8.858 5.632 4.531 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -7.281 6.391 4.629 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -8.031 7.604 6.689 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -9.560 6.751 6.606 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -8.394 6.255 8.880 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -7.536 4.711 8.885 1.00 0.00 H new ATOM 682 N PRO A 69 -8.762 9.852 5.297 1.00 0.00 N ATOM 683 CA PRO A 69 -8.175 11.107 5.772 1.00 0.00 C ATOM 684 C PRO A 69 -7.101 10.905 6.838 1.00 0.00 C ATOM 685 O PRO A 69 -7.276 10.121 7.772 1.00 0.00 O ATOM 686 CB PRO A 69 -9.372 11.843 6.362 1.00 0.00 C ATOM 687 CG PRO A 69 -10.299 10.773 6.793 1.00 0.00 C ATOM 688 CD PRO A 69 -10.123 9.655 5.812 1.00 0.00 C ATOM 0 HA PRO A 69 -7.666 11.641 4.969 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -9.075 12.471 7.202 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -9.838 12.496 5.624 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -10.070 10.443 7.806 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -11.329 11.128 6.799 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -10.233 8.682 6.291 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -10.864 9.703 5.014 1.00 0.00 H new ATOM 696 N GLY A 70 -5.995 11.634 6.700 1.00 0.00 N ATOM 697 CA GLY A 70 -4.907 11.546 7.661 1.00 0.00 C ATOM 698 C GLY A 70 -4.398 10.131 7.864 1.00 0.00 C ATOM 699 O GLY A 70 -4.164 9.708 8.996 1.00 0.00 O ATOM 0 H GLY A 70 -5.833 12.288 5.934 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -4.083 12.176 7.326 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -5.244 11.944 8.618 1.00 0.00 H new ATOM 703 N SER A 71 -4.222 9.401 6.769 1.00 0.00 N ATOM 704 CA SER A 71 -3.733 8.029 6.838 1.00 0.00 C ATOM 705 C SER A 71 -2.218 7.995 7.027 1.00 0.00 C ATOM 706 O SER A 71 -1.701 7.255 7.864 1.00 0.00 O ATOM 707 CB SER A 71 -4.117 7.270 5.571 1.00 0.00 C ATOM 708 OG SER A 71 -5.520 7.271 5.385 1.00 0.00 O ATOM 0 H SER A 71 -4.410 9.735 5.824 1.00 0.00 H new ATOM 0 HA SER A 71 -4.196 7.548 7.699 1.00 0.00 H new ATOM 0 HB2 SER A 71 -3.632 7.726 4.708 1.00 0.00 H new ATOM 0 HB3 SER A 71 -3.756 6.244 5.634 1.00 0.00 H new ATOM 0 HG SER A 71 -5.779 8.051 4.851 1.00 0.00 H new ATOM 714 N VAL A 72 -1.515 8.803 6.239 1.00 0.00 N ATOM 715 CA VAL A 72 -0.058 8.875 6.305 1.00 0.00 C ATOM 716 C VAL A 72 0.418 10.303 6.056 1.00 0.00 C ATOM 717 O VAL A 72 -0.168 11.027 5.251 1.00 0.00 O ATOM 718 CB VAL A 72 0.609 7.939 5.273 1.00 0.00 C ATOM 719 CG1 VAL A 72 2.120 7.948 5.445 1.00 0.00 C ATOM 720 CG2 VAL A 72 0.064 6.523 5.387 1.00 0.00 C ATOM 0 H VAL A 72 -1.933 9.421 5.543 1.00 0.00 H new ATOM 0 HA VAL A 72 0.232 8.555 7.306 1.00 0.00 H new ATOM 0 HB VAL A 72 0.372 8.310 4.276 1.00 0.00 H new ATOM 0 HG11 VAL A 72 2.574 7.283 4.710 1.00 0.00 H new ATOM 0 HG12 VAL A 72 2.497 8.961 5.300 1.00 0.00 H new ATOM 0 HG13 VAL A 72 2.374 7.607 6.449 1.00 0.00 H new ATOM 0 HG21 VAL A 72 0.551 5.885 4.649 1.00 0.00 H new ATOM 0 HG22 VAL A 72 0.261 6.137 6.387 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -1.011 6.531 5.207 1.00 0.00 H new ATOM 730 N GLN A 73 1.476 10.708 6.752 1.00 0.00 N ATOM 731 CA GLN A 73 2.014 12.056 6.603 1.00 0.00 C ATOM 732 C GLN A 73 3.539 12.053 6.614 1.00 0.00 C ATOM 733 O GLN A 73 4.173 12.776 5.844 1.00 0.00 O ATOM 734 CB GLN A 73 1.491 12.962 7.719 1.00 0.00 C ATOM 735 CG GLN A 73 -0.023 13.106 7.729 1.00 0.00 C ATOM 736 CD GLN A 73 -0.515 14.006 8.846 1.00 0.00 C ATOM 737 OE1 GLN A 73 -0.289 13.732 10.024 1.00 0.00 O ATOM 738 NE2 GLN A 73 -1.193 15.088 8.479 1.00 0.00 N ATOM 0 H GLN A 73 1.976 10.124 7.422 1.00 0.00 H new ATOM 0 HA GLN A 73 1.681 12.440 5.638 1.00 0.00 H new ATOM 0 HB2 GLN A 73 1.816 12.564 8.680 1.00 0.00 H new ATOM 0 HB3 GLN A 73 1.941 13.949 7.614 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -0.352 13.508 6.771 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -0.477 12.121 7.834 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -1.357 15.276 7.490 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -1.549 15.731 9.186 1.00 0.00 H new ATOM 747 N LYS A 74 4.125 11.244 7.492 1.00 0.00 N ATOM 748 CA LYS A 74 5.577 11.160 7.599 1.00 0.00 C ATOM 749 C LYS A 74 6.203 10.804 6.257 1.00 0.00 C ATOM 750 O LYS A 74 7.068 11.519 5.750 1.00 0.00 O ATOM 751 CB LYS A 74 5.973 10.127 8.656 1.00 0.00 C ATOM 752 CG LYS A 74 7.473 10.029 8.887 1.00 0.00 C ATOM 753 CD LYS A 74 8.049 11.343 9.391 1.00 0.00 C ATOM 754 CE LYS A 74 9.547 11.240 9.630 1.00 0.00 C ATOM 755 NZ LYS A 74 9.878 10.204 10.646 1.00 0.00 N ATOM 0 H LYS A 74 3.618 10.639 8.138 1.00 0.00 H new ATOM 0 HA LYS A 74 5.951 12.138 7.902 1.00 0.00 H new ATOM 0 HB2 LYS A 74 5.486 10.379 9.598 1.00 0.00 H new ATOM 0 HB3 LYS A 74 5.597 9.150 8.354 1.00 0.00 H new ATOM 0 HG2 LYS A 74 7.680 9.240 9.610 1.00 0.00 H new ATOM 0 HG3 LYS A 74 7.967 9.747 7.957 1.00 0.00 H new ATOM 0 HD2 LYS A 74 7.849 12.131 8.665 1.00 0.00 H new ATOM 0 HD3 LYS A 74 7.551 11.628 10.317 1.00 0.00 H new ATOM 0 HE2 LYS A 74 10.049 11.002 8.692 1.00 0.00 H new ATOM 0 HE3 LYS A 74 9.929 12.206 9.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 10.747 10.475 11.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 9.096 10.123 11.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 10.022 9.289 10.174 1.00 0.00 H new ATOM 769 N VAL A 75 5.748 9.698 5.685 1.00 0.00 N ATOM 770 CA VAL A 75 6.243 9.234 4.392 1.00 0.00 C ATOM 771 C VAL A 75 7.772 9.198 4.360 1.00 0.00 C ATOM 772 O VAL A 75 8.405 9.896 3.568 1.00 0.00 O ATOM 773 CB VAL A 75 5.729 10.123 3.241 1.00 0.00 C ATOM 774 CG1 VAL A 75 6.103 9.526 1.892 1.00 0.00 C ATOM 775 CG2 VAL A 75 4.223 10.318 3.347 1.00 0.00 C ATOM 0 H VAL A 75 5.032 9.100 6.098 1.00 0.00 H new ATOM 0 HA VAL A 75 5.863 8.222 4.254 1.00 0.00 H new ATOM 0 HB VAL A 75 6.206 11.100 3.323 1.00 0.00 H new ATOM 0 HG11 VAL A 75 5.731 10.169 1.094 1.00 0.00 H new ATOM 0 HG12 VAL A 75 7.188 9.446 1.818 1.00 0.00 H new ATOM 0 HG13 VAL A 75 5.659 8.535 1.797 1.00 0.00 H new ATOM 0 HG21 VAL A 75 3.879 10.948 2.527 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.726 9.349 3.294 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.984 10.797 4.297 1.00 0.00 H new ATOM 785 N ASN A 76 8.361 8.383 5.232 1.00 0.00 N ATOM 786 CA ASN A 76 9.814 8.258 5.304 1.00 0.00 C ATOM 787 C ASN A 76 10.401 7.925 3.937 1.00 0.00 C ATOM 788 O ASN A 76 9.894 7.052 3.231 1.00 0.00 O ATOM 789 CB ASN A 76 10.208 7.163 6.297 1.00 0.00 C ATOM 790 CG ASN A 76 9.640 7.395 7.681 1.00 0.00 C ATOM 791 OD1 ASN A 76 9.930 8.403 8.325 1.00 0.00 O ATOM 792 ND2 ASN A 76 8.828 6.454 8.147 1.00 0.00 N ATOM 0 H ASN A 76 7.854 7.800 5.898 1.00 0.00 H new ATOM 0 HA ASN A 76 10.212 9.216 5.639 1.00 0.00 H new ATOM 0 HB2 ASN A 76 9.862 6.199 5.924 1.00 0.00 H new ATOM 0 HB3 ASN A 76 11.295 7.109 6.359 1.00 0.00 H new ATOM 0 HD21 ASN A 76 8.416 6.550 9.075 1.00 0.00 H new ATOM 0 HD22 ASN A 76 8.616 5.635 7.577 1.00 0.00 H new ATOM 799 N ASP A 77 11.476 8.615 3.570 1.00 0.00 N ATOM 800 CA ASP A 77 12.130 8.374 2.290 1.00 0.00 C ATOM 801 C ASP A 77 12.665 6.946 2.236 1.00 0.00 C ATOM 802 O ASP A 77 13.340 6.497 3.162 1.00 0.00 O ATOM 803 CB ASP A 77 13.271 9.370 2.077 1.00 0.00 C ATOM 804 CG ASP A 77 12.792 10.808 2.070 1.00 0.00 C ATOM 805 OD1 ASP A 77 12.225 11.250 3.092 1.00 0.00 O ATOM 806 OD2 ASP A 77 12.983 11.494 1.044 1.00 0.00 O ATOM 0 H ASP A 77 11.911 9.342 4.138 1.00 0.00 H new ATOM 0 HA ASP A 77 11.397 8.509 1.494 1.00 0.00 H new ATOM 0 HB2 ASP A 77 14.013 9.241 2.865 1.00 0.00 H new ATOM 0 HB3 ASP A 77 13.768 9.151 1.132 1.00 0.00 H new ATOM 811 N PRO A 78 12.364 6.203 1.156 1.00 0.00 N ATOM 812 CA PRO A 78 12.817 4.817 1.008 1.00 0.00 C ATOM 813 C PRO A 78 14.331 4.710 0.857 1.00 0.00 C ATOM 814 O PRO A 78 14.885 5.022 -0.198 1.00 0.00 O ATOM 815 CB PRO A 78 12.112 4.346 -0.266 1.00 0.00 C ATOM 816 CG PRO A 78 11.842 5.594 -1.030 1.00 0.00 C ATOM 817 CD PRO A 78 11.558 6.645 0.004 1.00 0.00 C ATOM 0 HA PRO A 78 12.581 4.216 1.887 1.00 0.00 H new ATOM 0 HB2 PRO A 78 12.739 3.661 -0.836 1.00 0.00 H new ATOM 0 HB3 PRO A 78 11.188 3.815 -0.035 1.00 0.00 H new ATOM 0 HG2 PRO A 78 12.698 5.870 -1.645 1.00 0.00 H new ATOM 0 HG3 PRO A 78 10.994 5.466 -1.703 1.00 0.00 H new ATOM 0 HD2 PRO A 78 11.853 7.637 -0.338 1.00 0.00 H new ATOM 0 HD3 PRO A 78 10.497 6.694 0.249 1.00 0.00 H new ATOM 825 N VAL A 79 14.987 4.251 1.919 1.00 0.00 N ATOM 826 CA VAL A 79 16.438 4.081 1.930 1.00 0.00 C ATOM 827 C VAL A 79 16.830 2.999 2.930 1.00 0.00 C ATOM 828 O VAL A 79 17.477 2.013 2.575 1.00 0.00 O ATOM 829 CB VAL A 79 17.172 5.388 2.307 1.00 0.00 C ATOM 830 CG1 VAL A 79 18.676 5.161 2.355 1.00 0.00 C ATOM 831 CG2 VAL A 79 16.832 6.508 1.337 1.00 0.00 C ATOM 0 H VAL A 79 14.531 3.987 2.793 1.00 0.00 H new ATOM 0 HA VAL A 79 16.734 3.796 0.920 1.00 0.00 H new ATOM 0 HB VAL A 79 16.834 5.689 3.299 1.00 0.00 H new ATOM 0 HG11 VAL A 79 19.176 6.092 2.622 1.00 0.00 H new ATOM 0 HG12 VAL A 79 18.905 4.399 3.100 1.00 0.00 H new ATOM 0 HG13 VAL A 79 19.025 4.829 1.377 1.00 0.00 H new ATOM 0 HG21 VAL A 79 17.363 7.415 1.628 1.00 0.00 H new ATOM 0 HG22 VAL A 79 17.131 6.220 0.329 1.00 0.00 H new ATOM 0 HG23 VAL A 79 15.758 6.694 1.358 1.00 0.00 H new ATOM 841 N GLN A 80 16.418 3.190 4.179 1.00 0.00 N ATOM 842 CA GLN A 80 16.706 2.233 5.238 1.00 0.00 C ATOM 843 C GLN A 80 15.642 1.143 5.275 1.00 0.00 C ATOM 844 O GLN A 80 14.471 1.397 4.990 1.00 0.00 O ATOM 845 CB GLN A 80 16.785 2.941 6.592 1.00 0.00 C ATOM 846 CG GLN A 80 17.887 3.988 6.671 1.00 0.00 C ATOM 847 CD GLN A 80 19.274 3.398 6.499 1.00 0.00 C ATOM 848 OE1 GLN A 80 19.595 2.825 5.458 1.00 0.00 O ATOM 849 NE2 GLN A 80 20.106 3.536 7.526 1.00 0.00 N ATOM 0 H GLN A 80 15.881 4.003 4.482 1.00 0.00 H new ATOM 0 HA GLN A 80 17.671 1.771 5.030 1.00 0.00 H new ATOM 0 HB2 GLN A 80 15.827 3.418 6.799 1.00 0.00 H new ATOM 0 HB3 GLN A 80 16.946 2.197 7.372 1.00 0.00 H new ATOM 0 HG2 GLN A 80 17.720 4.742 5.902 1.00 0.00 H new ATOM 0 HG3 GLN A 80 17.830 4.496 7.634 1.00 0.00 H new ATOM 0 HE21 GLN A 80 19.798 4.018 8.370 1.00 0.00 H new ATOM 0 HE22 GLN A 80 21.052 3.160 7.470 1.00 0.00 H new ATOM 858 N ASN A 81 16.055 -0.072 5.619 1.00 0.00 N ATOM 859 CA ASN A 81 15.138 -1.203 5.685 1.00 0.00 C ATOM 860 C ASN A 81 13.924 -0.887 6.556 1.00 0.00 C ATOM 861 O ASN A 81 12.791 -1.202 6.191 1.00 0.00 O ATOM 862 CB ASN A 81 15.859 -2.439 6.228 1.00 0.00 C ATOM 863 CG ASN A 81 16.431 -2.214 7.614 1.00 0.00 C ATOM 864 OD1 ASN A 81 17.268 -1.333 7.817 1.00 0.00 O ATOM 865 ND2 ASN A 81 15.982 -3.010 8.576 1.00 0.00 N ATOM 0 H ASN A 81 17.021 -0.299 5.857 1.00 0.00 H new ATOM 0 HA ASN A 81 14.787 -1.405 4.673 1.00 0.00 H new ATOM 0 HB2 ASN A 81 15.164 -3.278 6.257 1.00 0.00 H new ATOM 0 HB3 ASN A 81 16.664 -2.715 5.547 1.00 0.00 H new ATOM 0 HD21 ASN A 81 16.331 -2.905 9.529 1.00 0.00 H new ATOM 0 HD22 ASN A 81 15.288 -3.727 8.363 1.00 0.00 H new ATOM 872 N TRP A 82 14.165 -0.270 7.709 1.00 0.00 N ATOM 873 CA TRP A 82 13.086 0.075 8.628 1.00 0.00 C ATOM 874 C TRP A 82 12.228 1.222 8.092 1.00 0.00 C ATOM 875 O TRP A 82 11.041 1.310 8.405 1.00 0.00 O ATOM 876 CB TRP A 82 13.639 0.403 10.021 1.00 0.00 C ATOM 877 CG TRP A 82 14.666 1.493 10.043 1.00 0.00 C ATOM 878 CD1 TRP A 82 15.979 1.390 9.681 1.00 0.00 C ATOM 879 CD2 TRP A 82 14.479 2.839 10.495 1.00 0.00 C ATOM 880 NE1 TRP A 82 16.613 2.595 9.860 1.00 0.00 N ATOM 881 CE2 TRP A 82 15.715 3.500 10.361 1.00 0.00 C ATOM 882 CE3 TRP A 82 13.384 3.553 10.991 1.00 0.00 C ATOM 883 CZ2 TRP A 82 15.886 4.838 10.707 1.00 0.00 C ATOM 884 CZ3 TRP A 82 13.555 4.881 11.335 1.00 0.00 C ATOM 885 CH2 TRP A 82 14.797 5.511 11.192 1.00 0.00 C ATOM 0 H TRP A 82 15.095 0.001 8.028 1.00 0.00 H new ATOM 0 HA TRP A 82 12.439 -0.798 8.715 1.00 0.00 H new ATOM 0 HB2 TRP A 82 12.810 0.689 10.668 1.00 0.00 H new ATOM 0 HB3 TRP A 82 14.078 -0.500 10.445 1.00 0.00 H new ATOM 0 HD1 TRP A 82 16.450 0.492 9.308 1.00 0.00 H new ATOM 0 HE1 TRP A 82 17.594 2.785 9.653 1.00 0.00 H new ATOM 0 HE3 TRP A 82 12.422 3.076 11.103 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 16.843 5.327 10.597 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 12.716 5.442 11.721 1.00 0.00 H new ATOM 0 HH2 TRP A 82 14.898 6.550 11.470 1.00 0.00 H new ATOM 896 N HIS A 83 12.823 2.094 7.279 1.00 0.00 N ATOM 897 CA HIS A 83 12.087 3.220 6.703 1.00 0.00 C ATOM 898 C HIS A 83 10.882 2.734 5.904 1.00 0.00 C ATOM 899 O HIS A 83 9.755 3.173 6.135 1.00 0.00 O ATOM 900 CB HIS A 83 12.994 4.058 5.797 1.00 0.00 C ATOM 901 CG HIS A 83 13.932 4.961 6.535 1.00 0.00 C ATOM 902 ND1 HIS A 83 14.852 5.770 5.900 1.00 0.00 N ATOM 903 CD2 HIS A 83 14.081 5.194 7.861 1.00 0.00 C ATOM 904 CE1 HIS A 83 15.525 6.460 6.802 1.00 0.00 C ATOM 905 NE2 HIS A 83 15.077 6.130 7.998 1.00 0.00 N ATOM 0 H HIS A 83 13.804 2.044 7.006 1.00 0.00 H new ATOM 0 HA HIS A 83 11.738 3.839 7.529 1.00 0.00 H new ATOM 0 HB2 HIS A 83 13.575 3.388 5.164 1.00 0.00 H new ATOM 0 HB3 HIS A 83 12.371 4.661 5.136 1.00 0.00 H new ATOM 0 HD2 HIS A 83 13.522 4.731 8.660 1.00 0.00 H new ATOM 0 HE1 HIS A 83 16.309 7.173 6.596 1.00 0.00 H new ATOM 0 HE2 HIS A 83 15.416 6.509 8.882 1.00 0.00 H new ATOM 914 N LYS A 84 11.126 1.829 4.962 1.00 0.00 N ATOM 915 CA LYS A 84 10.061 1.288 4.126 1.00 0.00 C ATOM 916 C LYS A 84 9.035 0.534 4.967 1.00 0.00 C ATOM 917 O LYS A 84 7.829 0.717 4.802 1.00 0.00 O ATOM 918 CB LYS A 84 10.642 0.353 3.061 1.00 0.00 C ATOM 919 CG LYS A 84 11.613 1.033 2.106 1.00 0.00 C ATOM 920 CD LYS A 84 12.193 0.042 1.109 1.00 0.00 C ATOM 921 CE LYS A 84 13.179 0.711 0.166 1.00 0.00 C ATOM 922 NZ LYS A 84 13.754 -0.252 -0.812 1.00 0.00 N ATOM 0 H LYS A 84 12.053 1.455 4.758 1.00 0.00 H new ATOM 0 HA LYS A 84 9.562 2.124 3.637 1.00 0.00 H new ATOM 0 HB2 LYS A 84 11.153 -0.473 3.556 1.00 0.00 H new ATOM 0 HB3 LYS A 84 9.823 -0.079 2.485 1.00 0.00 H new ATOM 0 HG2 LYS A 84 11.100 1.832 1.571 1.00 0.00 H new ATOM 0 HG3 LYS A 84 12.420 1.496 2.673 1.00 0.00 H new ATOM 0 HD2 LYS A 84 12.692 -0.765 1.645 1.00 0.00 H new ATOM 0 HD3 LYS A 84 11.386 -0.410 0.532 1.00 0.00 H new ATOM 0 HE2 LYS A 84 12.678 1.517 -0.370 1.00 0.00 H new ATOM 0 HE3 LYS A 84 13.984 1.165 0.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 14.421 0.244 -1.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 14.254 -1.008 -0.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 12.989 -0.666 -1.382 1.00 0.00 H new ATOM 936 N LEU A 85 9.523 -0.317 5.865 1.00 0.00 N ATOM 937 CA LEU A 85 8.659 -1.108 6.731 1.00 0.00 C ATOM 938 C LEU A 85 7.721 -0.230 7.554 1.00 0.00 C ATOM 939 O LEU A 85 6.570 -0.594 7.797 1.00 0.00 O ATOM 940 CB LEU A 85 9.511 -1.969 7.664 1.00 0.00 C ATOM 941 CG LEU A 85 10.372 -3.025 6.967 1.00 0.00 C ATOM 942 CD1 LEU A 85 11.238 -3.758 7.980 1.00 0.00 C ATOM 943 CD2 LEU A 85 9.494 -4.008 6.207 1.00 0.00 C ATOM 0 H LEU A 85 10.520 -0.476 6.011 1.00 0.00 H new ATOM 0 HA LEU A 85 8.045 -1.745 6.094 1.00 0.00 H new ATOM 0 HB2 LEU A 85 10.163 -1.315 8.242 1.00 0.00 H new ATOM 0 HB3 LEU A 85 8.852 -2.470 8.373 1.00 0.00 H new ATOM 0 HG LEU A 85 11.026 -2.523 6.254 1.00 0.00 H new ATOM 0 HD11 LEU A 85 11.844 -4.505 7.468 1.00 0.00 H new ATOM 0 HD12 LEU A 85 11.891 -3.045 8.484 1.00 0.00 H new ATOM 0 HD13 LEU A 85 10.601 -4.249 8.715 1.00 0.00 H new ATOM 0 HD21 LEU A 85 10.121 -4.753 5.717 1.00 0.00 H new ATOM 0 HD22 LEU A 85 8.817 -4.505 6.903 1.00 0.00 H new ATOM 0 HD23 LEU A 85 8.913 -3.472 5.456 1.00 0.00 H new ATOM 955 N GLU A 86 8.218 0.923 7.986 1.00 0.00 N ATOM 956 CA GLU A 86 7.420 1.844 8.787 1.00 0.00 C ATOM 957 C GLU A 86 6.285 2.431 7.959 1.00 0.00 C ATOM 958 O GLU A 86 5.140 2.482 8.405 1.00 0.00 O ATOM 959 CB GLU A 86 8.298 2.963 9.354 1.00 0.00 C ATOM 960 CG GLU A 86 7.562 3.888 10.305 1.00 0.00 C ATOM 961 CD GLU A 86 8.478 4.899 10.968 1.00 0.00 C ATOM 962 OE1 GLU A 86 9.464 4.475 11.608 1.00 0.00 O ATOM 963 OE2 GLU A 86 8.204 6.112 10.857 1.00 0.00 O ATOM 0 H GLU A 86 9.168 1.242 7.796 1.00 0.00 H new ATOM 0 HA GLU A 86 6.988 1.286 9.618 1.00 0.00 H new ATOM 0 HB2 GLU A 86 9.146 2.519 9.875 1.00 0.00 H new ATOM 0 HB3 GLU A 86 8.702 3.550 8.529 1.00 0.00 H new ATOM 0 HG2 GLU A 86 6.780 4.416 9.759 1.00 0.00 H new ATOM 0 HG3 GLU A 86 7.068 3.293 11.073 1.00 0.00 H new ATOM 970 N ASN A 87 6.610 2.863 6.745 1.00 0.00 N ATOM 971 CA ASN A 87 5.624 3.434 5.851 1.00 0.00 C ATOM 972 C ASN A 87 4.562 2.403 5.491 1.00 0.00 C ATOM 973 O ASN A 87 3.376 2.722 5.408 1.00 0.00 O ATOM 974 CB ASN A 87 6.304 3.952 4.588 1.00 0.00 C ATOM 975 CG ASN A 87 7.257 5.096 4.870 1.00 0.00 C ATOM 976 OD1 ASN A 87 6.869 6.113 5.444 1.00 0.00 O ATOM 977 ND2 ASN A 87 8.509 4.938 4.459 1.00 0.00 N ATOM 0 H ASN A 87 7.554 2.826 6.362 1.00 0.00 H new ATOM 0 HA ASN A 87 5.136 4.265 6.359 1.00 0.00 H new ATOM 0 HB2 ASN A 87 6.850 3.137 4.113 1.00 0.00 H new ATOM 0 HB3 ASN A 87 5.544 4.282 3.880 1.00 0.00 H new ATOM 0 HD21 ASN A 87 9.194 5.677 4.615 1.00 0.00 H new ATOM 0 HD22 ASN A 87 8.786 4.077 3.987 1.00 0.00 H new ATOM 984 N ILE A 88 4.994 1.162 5.282 1.00 0.00 N ATOM 985 CA ILE A 88 4.071 0.088 4.937 1.00 0.00 C ATOM 986 C ILE A 88 3.119 -0.197 6.091 1.00 0.00 C ATOM 987 O ILE A 88 1.924 -0.410 5.887 1.00 0.00 O ATOM 988 CB ILE A 88 4.812 -1.215 4.571 1.00 0.00 C ATOM 989 CG1 ILE A 88 5.778 -0.976 3.408 1.00 0.00 C ATOM 990 CG2 ILE A 88 3.809 -2.303 4.216 1.00 0.00 C ATOM 991 CD1 ILE A 88 6.573 -2.205 3.018 1.00 0.00 C ATOM 0 H ILE A 88 5.972 0.878 5.345 1.00 0.00 H new ATOM 0 HA ILE A 88 3.510 0.427 4.066 1.00 0.00 H new ATOM 0 HB ILE A 88 5.392 -1.541 5.434 1.00 0.00 H new ATOM 0 HG12 ILE A 88 5.213 -0.629 2.543 1.00 0.00 H new ATOM 0 HG13 ILE A 88 6.469 -0.177 3.679 1.00 0.00 H new ATOM 0 HG21 ILE A 88 4.341 -3.219 3.959 1.00 0.00 H new ATOM 0 HG22 ILE A 88 3.157 -2.489 5.069 1.00 0.00 H new ATOM 0 HG23 ILE A 88 3.209 -1.981 3.365 1.00 0.00 H new ATOM 0 HD11 ILE A 88 7.236 -1.961 2.188 1.00 0.00 H new ATOM 0 HD12 ILE A 88 7.165 -2.540 3.869 1.00 0.00 H new ATOM 0 HD13 ILE A 88 5.890 -2.999 2.716 1.00 0.00 H new ATOM 1003 N GLY A 89 3.661 -0.200 7.305 1.00 0.00 N ATOM 1004 CA GLY A 89 2.855 -0.460 8.481 1.00 0.00 C ATOM 1005 C GLY A 89 1.685 0.495 8.607 1.00 0.00 C ATOM 1006 O GLY A 89 0.573 0.079 8.919 1.00 0.00 O ATOM 0 H GLY A 89 4.648 -0.026 7.494 1.00 0.00 H new ATOM 0 HA2 GLY A 89 2.482 -1.483 8.442 1.00 0.00 H new ATOM 0 HA3 GLY A 89 3.480 -0.382 9.370 1.00 0.00 H new ATOM 1010 N ASN A 90 1.939 1.778 8.367 1.00 0.00 N ATOM 1011 CA ASN A 90 0.896 2.796 8.458 1.00 0.00 C ATOM 1012 C ASN A 90 -0.186 2.575 7.403 1.00 0.00 C ATOM 1013 O ASN A 90 -1.376 2.700 7.689 1.00 0.00 O ATOM 1014 CB ASN A 90 1.503 4.191 8.293 1.00 0.00 C ATOM 1015 CG ASN A 90 2.521 4.512 9.364 1.00 0.00 C ATOM 1016 OD1 ASN A 90 2.220 4.470 10.558 1.00 0.00 O ATOM 1017 ND2 ASN A 90 3.734 4.842 8.943 1.00 0.00 N ATOM 0 H ASN A 90 2.858 2.138 8.108 1.00 0.00 H new ATOM 0 HA ASN A 90 0.436 2.716 9.443 1.00 0.00 H new ATOM 0 HB2 ASN A 90 1.976 4.264 7.314 1.00 0.00 H new ATOM 0 HB3 ASN A 90 0.707 4.935 8.319 1.00 0.00 H new ATOM 0 HD21 ASN A 90 4.463 5.074 9.618 1.00 0.00 H new ATOM 0 HD22 ASN A 90 3.939 4.864 7.944 1.00 0.00 H new ATOM 1024 N PHE A 91 0.237 2.256 6.183 1.00 0.00 N ATOM 1025 CA PHE A 91 -0.695 2.029 5.083 1.00 0.00 C ATOM 1026 C PHE A 91 -1.649 0.877 5.393 1.00 0.00 C ATOM 1027 O PHE A 91 -2.867 1.026 5.302 1.00 0.00 O ATOM 1028 CB PHE A 91 0.077 1.735 3.793 1.00 0.00 C ATOM 1029 CG PHE A 91 -0.802 1.458 2.604 1.00 0.00 C ATOM 1030 CD1 PHE A 91 -1.863 2.295 2.295 1.00 0.00 C ATOM 1031 CD2 PHE A 91 -0.565 0.358 1.796 1.00 0.00 C ATOM 1032 CE1 PHE A 91 -2.669 2.041 1.201 1.00 0.00 C ATOM 1033 CE2 PHE A 91 -1.367 0.098 0.701 1.00 0.00 C ATOM 1034 CZ PHE A 91 -2.421 0.940 0.404 1.00 0.00 C ATOM 0 H PHE A 91 1.220 2.149 5.931 1.00 0.00 H new ATOM 0 HA PHE A 91 -1.288 2.934 4.952 1.00 0.00 H new ATOM 0 HB2 PHE A 91 0.721 2.584 3.566 1.00 0.00 H new ATOM 0 HB3 PHE A 91 0.728 0.876 3.959 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -2.062 3.156 2.916 1.00 0.00 H new ATOM 0 HD2 PHE A 91 0.257 -0.305 2.025 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -3.491 2.702 0.970 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -1.170 -0.762 0.078 1.00 0.00 H new ATOM 0 HZ PHE A 91 -3.050 0.738 -0.450 1.00 0.00 H new ATOM 1044 N LEU A 92 -1.088 -0.271 5.757 1.00 0.00 N ATOM 1045 CA LEU A 92 -1.882 -1.448 6.077 1.00 0.00 C ATOM 1046 C LEU A 92 -2.681 -1.251 7.358 1.00 0.00 C ATOM 1047 O LEU A 92 -3.835 -1.658 7.445 1.00 0.00 O ATOM 1048 CB LEU A 92 -0.976 -2.667 6.199 1.00 0.00 C ATOM 1049 CG LEU A 92 -0.404 -3.162 4.873 1.00 0.00 C ATOM 1050 CD1 LEU A 92 0.709 -4.169 5.115 1.00 0.00 C ATOM 1051 CD2 LEU A 92 -1.502 -3.775 4.018 1.00 0.00 C ATOM 0 H LEU A 92 -0.081 -0.410 5.838 1.00 0.00 H new ATOM 0 HA LEU A 92 -2.593 -1.608 5.266 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -0.151 -2.426 6.869 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -1.538 -3.477 6.664 1.00 0.00 H new ATOM 0 HG LEU A 92 0.015 -2.310 4.338 1.00 0.00 H new ATOM 0 HD11 LEU A 92 1.105 -4.511 4.159 1.00 0.00 H new ATOM 0 HD12 LEU A 92 1.506 -3.699 5.690 1.00 0.00 H new ATOM 0 HD13 LEU A 92 0.315 -5.020 5.670 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -1.078 -4.123 3.076 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -1.949 -4.616 4.548 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -2.267 -3.026 3.816 1.00 0.00 H new ATOM 1063 N ARG A 93 -2.063 -0.623 8.349 1.00 0.00 N ATOM 1064 CA ARG A 93 -2.728 -0.371 9.621 1.00 0.00 C ATOM 1065 C ARG A 93 -3.964 0.493 9.409 1.00 0.00 C ATOM 1066 O ARG A 93 -5.004 0.278 10.031 1.00 0.00 O ATOM 1067 CB ARG A 93 -1.772 0.322 10.592 1.00 0.00 C ATOM 1068 CG ARG A 93 -2.393 0.638 11.943 1.00 0.00 C ATOM 1069 CD ARG A 93 -1.420 1.369 12.846 1.00 0.00 C ATOM 1070 NE ARG A 93 -2.008 1.685 14.144 1.00 0.00 N ATOM 1071 CZ ARG A 93 -1.358 2.319 15.116 1.00 0.00 C ATOM 1072 NH1 ARG A 93 -0.100 2.700 14.936 1.00 0.00 N ATOM 1073 NH2 ARG A 93 -1.964 2.570 16.268 1.00 0.00 N ATOM 0 H ARG A 93 -1.104 -0.279 8.297 1.00 0.00 H new ATOM 0 HA ARG A 93 -3.033 -1.327 10.046 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -0.899 -0.313 10.743 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -1.418 1.248 10.140 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -3.286 1.247 11.800 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -2.711 -0.287 12.423 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -0.530 0.756 12.991 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -1.097 2.290 12.361 1.00 0.00 H new ATOM 0 HE ARG A 93 -2.973 1.403 14.316 1.00 0.00 H new ATOM 0 HH11 ARG A 93 0.370 2.507 14.051 1.00 0.00 H new ATOM 0 HH12 ARG A 93 0.397 3.186 15.682 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -2.931 2.277 16.410 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -1.464 3.056 17.012 1.00 0.00 H new ATOM 1087 N ALA A 94 -3.834 1.478 8.528 1.00 0.00 N ATOM 1088 CA ALA A 94 -4.924 2.392 8.226 1.00 0.00 C ATOM 1089 C ALA A 94 -6.041 1.713 7.436 1.00 0.00 C ATOM 1090 O ALA A 94 -7.215 1.888 7.751 1.00 0.00 O ATOM 1091 CB ALA A 94 -4.399 3.597 7.460 1.00 0.00 C ATOM 0 H ALA A 94 -2.976 1.663 8.008 1.00 0.00 H new ATOM 0 HA ALA A 94 -5.348 2.720 9.175 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -5.223 4.275 7.239 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -3.654 4.116 8.064 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -3.942 3.265 6.528 1.00 0.00 H new ATOM 1097 N ILE A 95 -5.675 0.960 6.401 1.00 0.00 N ATOM 1098 CA ILE A 95 -6.664 0.282 5.560 1.00 0.00 C ATOM 1099 C ILE A 95 -7.320 -0.898 6.277 1.00 0.00 C ATOM 1100 O ILE A 95 -8.525 -1.118 6.152 1.00 0.00 O ATOM 1101 CB ILE A 95 -6.046 -0.212 4.232 1.00 0.00 C ATOM 1102 CG1 ILE A 95 -5.055 -1.357 4.476 1.00 0.00 C ATOM 1103 CG2 ILE A 95 -5.366 0.939 3.508 1.00 0.00 C ATOM 1104 CD1 ILE A 95 -4.500 -1.956 3.202 1.00 0.00 C ATOM 0 H ILE A 95 -4.706 0.803 6.124 1.00 0.00 H new ATOM 0 HA ILE A 95 -7.429 1.027 5.342 1.00 0.00 H new ATOM 0 HB ILE A 95 -6.850 -0.595 3.604 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -4.229 -0.989 5.085 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -5.550 -2.140 5.050 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -4.935 0.578 2.574 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -6.099 1.717 3.292 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -4.576 1.349 4.138 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -3.806 -2.760 3.450 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -5.317 -2.355 2.601 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -3.976 -1.186 2.636 1.00 0.00 H new ATOM 1116 N LYS A 96 -6.521 -1.657 7.017 1.00 0.00 N ATOM 1117 CA LYS A 96 -7.019 -2.821 7.744 1.00 0.00 C ATOM 1118 C LYS A 96 -8.071 -2.403 8.765 1.00 0.00 C ATOM 1119 O LYS A 96 -9.056 -3.109 8.985 1.00 0.00 O ATOM 1120 CB LYS A 96 -5.856 -3.547 8.432 1.00 0.00 C ATOM 1121 CG LYS A 96 -6.217 -4.924 8.971 1.00 0.00 C ATOM 1122 CD LYS A 96 -5.006 -5.653 9.545 1.00 0.00 C ATOM 1123 CE LYS A 96 -4.471 -4.971 10.793 1.00 0.00 C ATOM 1124 NZ LYS A 96 -3.858 -3.646 10.497 1.00 0.00 N ATOM 0 H LYS A 96 -5.522 -1.487 7.130 1.00 0.00 H new ATOM 0 HA LYS A 96 -7.487 -3.505 7.035 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -5.035 -3.650 7.723 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -5.492 -2.931 9.254 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -6.978 -4.822 9.745 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -6.654 -5.522 8.172 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -5.280 -6.681 9.783 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -4.220 -5.699 8.792 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -5.282 -4.841 11.509 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -3.729 -5.614 11.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -2.971 -3.547 11.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -3.659 -3.575 9.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -4.515 -2.890 10.775 1.00 0.00 H new ATOM 1138 N HIS A 97 -7.855 -1.245 9.374 1.00 0.00 N ATOM 1139 CA HIS A 97 -8.779 -0.709 10.367 1.00 0.00 C ATOM 1140 C HIS A 97 -9.877 0.103 9.692 1.00 0.00 C ATOM 1141 O HIS A 97 -11.020 0.128 10.149 1.00 0.00 O ATOM 1142 CB HIS A 97 -8.027 0.169 11.366 1.00 0.00 C ATOM 1143 CG HIS A 97 -8.883 0.677 12.484 1.00 0.00 C ATOM 1144 ND1 HIS A 97 -9.543 -0.155 13.364 1.00 0.00 N ATOM 1145 CD2 HIS A 97 -9.187 1.940 12.863 1.00 0.00 C ATOM 1146 CE1 HIS A 97 -10.217 0.575 14.236 1.00 0.00 C ATOM 1147 NE2 HIS A 97 -10.016 1.849 13.954 1.00 0.00 N ATOM 0 H HIS A 97 -7.042 -0.654 9.197 1.00 0.00 H new ATOM 0 HA HIS A 97 -9.236 -1.544 10.898 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -7.198 -0.401 11.785 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -7.595 1.018 10.837 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -8.842 2.850 12.395 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -10.828 0.194 15.041 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -10.412 2.638 14.464 1.00 0.00 H new ATOM 1156 N TYR A 98 -9.509 0.776 8.606 1.00 0.00 N ATOM 1157 CA TYR A 98 -10.448 1.610 7.857 1.00 0.00 C ATOM 1158 C TYR A 98 -11.709 0.836 7.495 1.00 0.00 C ATOM 1159 O TYR A 98 -12.821 1.353 7.621 1.00 0.00 O ATOM 1160 CB TYR A 98 -9.790 2.147 6.582 1.00 0.00 C ATOM 1161 CG TYR A 98 -10.680 3.065 5.773 1.00 0.00 C ATOM 1162 CD1 TYR A 98 -11.317 4.148 6.365 1.00 0.00 C ATOM 1163 CD2 TYR A 98 -10.883 2.845 4.416 1.00 0.00 C ATOM 1164 CE1 TYR A 98 -12.131 4.987 5.627 1.00 0.00 C ATOM 1165 CE2 TYR A 98 -11.695 3.680 3.672 1.00 0.00 C ATOM 1166 CZ TYR A 98 -12.317 4.749 4.282 1.00 0.00 C ATOM 1167 OH TYR A 98 -13.126 5.582 3.544 1.00 0.00 O ATOM 0 H TYR A 98 -8.564 0.761 8.223 1.00 0.00 H new ATOM 0 HA TYR A 98 -10.728 2.446 8.498 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -8.881 2.684 6.852 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -9.489 1.305 5.958 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -11.174 4.338 7.419 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -10.398 2.008 3.935 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -12.619 5.825 6.102 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -11.842 3.496 2.618 1.00 0.00 H new ATOM 0 HH TYR A 98 -13.149 5.275 2.613 1.00 0.00 H new ATOM 1177 N GLY A 99 -11.536 -0.400 7.040 1.00 0.00 N ATOM 1178 CA GLY A 99 -12.682 -1.208 6.667 1.00 0.00 C ATOM 1179 C GLY A 99 -12.302 -2.591 6.178 1.00 0.00 C ATOM 1180 O GLY A 99 -12.931 -3.580 6.559 1.00 0.00 O ATOM 0 H GLY A 99 -10.630 -0.854 6.923 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -13.347 -1.303 7.526 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -13.242 -0.694 5.886 1.00 0.00 H new ATOM 1184 N VAL A 100 -11.281 -2.669 5.329 1.00 0.00 N ATOM 1185 CA VAL A 100 -10.840 -3.951 4.792 1.00 0.00 C ATOM 1186 C VAL A 100 -10.491 -4.913 5.921 1.00 0.00 C ATOM 1187 O VAL A 100 -9.651 -4.612 6.769 1.00 0.00 O ATOM 1188 CB VAL A 100 -9.618 -3.793 3.865 1.00 0.00 C ATOM 1189 CG1 VAL A 100 -9.326 -5.105 3.149 1.00 0.00 C ATOM 1190 CG2 VAL A 100 -9.853 -2.679 2.856 1.00 0.00 C ATOM 0 H VAL A 100 -10.747 -1.865 5.000 1.00 0.00 H new ATOM 0 HA VAL A 100 -11.667 -4.354 4.208 1.00 0.00 H new ATOM 0 HB VAL A 100 -8.754 -3.528 4.474 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -8.461 -4.979 2.498 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -9.117 -5.882 3.884 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -10.191 -5.394 2.552 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -8.980 -2.582 2.211 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -10.728 -2.915 2.250 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -10.020 -1.740 3.383 1.00 0.00 H new ATOM 1200 N LYS A 101 -11.146 -6.069 5.930 1.00 0.00 N ATOM 1201 CA LYS A 101 -10.911 -7.075 6.958 1.00 0.00 C ATOM 1202 C LYS A 101 -9.502 -7.655 6.855 1.00 0.00 C ATOM 1203 O LYS A 101 -9.025 -7.957 5.762 1.00 0.00 O ATOM 1204 CB LYS A 101 -11.954 -8.189 6.859 1.00 0.00 C ATOM 1205 CG LYS A 101 -12.090 -8.773 5.464 1.00 0.00 C ATOM 1206 CD LYS A 101 -13.206 -9.804 5.400 1.00 0.00 C ATOM 1207 CE LYS A 101 -13.400 -10.330 3.987 1.00 0.00 C ATOM 1208 NZ LYS A 101 -14.488 -11.345 3.917 1.00 0.00 N ATOM 0 H LYS A 101 -11.845 -6.332 5.235 1.00 0.00 H new ATOM 0 HA LYS A 101 -11.003 -6.590 7.930 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -11.689 -8.986 7.553 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -12.921 -7.799 7.176 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -12.290 -7.973 4.751 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -11.148 -9.235 5.168 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -12.975 -10.633 6.069 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -14.135 -9.358 5.754 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -13.634 -9.500 3.320 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -12.468 -10.771 3.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -14.589 -11.679 2.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -14.253 -12.149 4.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -15.383 -10.917 4.231 1.00 0.00 H new ATOM 1222 N PRO A 102 -8.815 -7.813 8.003 1.00 0.00 N ATOM 1223 CA PRO A 102 -7.451 -8.356 8.048 1.00 0.00 C ATOM 1224 C PRO A 102 -7.338 -9.709 7.353 1.00 0.00 C ATOM 1225 O PRO A 102 -6.315 -10.021 6.744 1.00 0.00 O ATOM 1226 CB PRO A 102 -7.174 -8.495 9.548 1.00 0.00 C ATOM 1227 CG PRO A 102 -8.066 -7.488 10.185 1.00 0.00 C ATOM 1228 CD PRO A 102 -9.312 -7.469 9.349 1.00 0.00 C ATOM 0 HA PRO A 102 -6.740 -7.714 7.528 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -7.396 -9.502 9.901 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -6.127 -8.300 9.778 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -8.290 -7.759 11.217 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -7.595 -6.506 10.209 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -10.047 -8.191 9.704 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -9.793 -6.491 9.364 1.00 0.00 H new ATOM 1236 N HIS A 103 -8.398 -10.509 7.445 1.00 0.00 N ATOM 1237 CA HIS A 103 -8.421 -11.829 6.819 1.00 0.00 C ATOM 1238 C HIS A 103 -8.297 -11.719 5.301 1.00 0.00 C ATOM 1239 O HIS A 103 -8.278 -12.727 4.594 1.00 0.00 O ATOM 1240 CB HIS A 103 -9.708 -12.568 7.186 1.00 0.00 C ATOM 1241 CG HIS A 103 -9.876 -12.784 8.659 1.00 0.00 C ATOM 1242 ND1 HIS A 103 -8.974 -13.494 9.422 1.00 0.00 N ATOM 1243 CD2 HIS A 103 -10.849 -12.378 9.509 1.00 0.00 C ATOM 1244 CE1 HIS A 103 -9.385 -13.516 10.679 1.00 0.00 C ATOM 1245 NE2 HIS A 103 -10.519 -12.846 10.757 1.00 0.00 N ATOM 0 H HIS A 103 -9.252 -10.266 7.947 1.00 0.00 H new ATOM 0 HA HIS A 103 -7.567 -12.393 7.192 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -10.561 -12.003 6.810 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -9.719 -13.534 6.682 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -11.721 -11.795 9.253 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -8.879 -14.000 11.501 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -11.063 -12.699 11.607 1.00 0.00 H new ATOM 1254 N ASP A 104 -8.211 -10.487 4.810 1.00 0.00 N ATOM 1255 CA ASP A 104 -8.087 -10.225 3.386 1.00 0.00 C ATOM 1256 C ASP A 104 -7.081 -9.108 3.144 1.00 0.00 C ATOM 1257 O ASP A 104 -7.302 -8.225 2.313 1.00 0.00 O ATOM 1258 CB ASP A 104 -9.445 -9.839 2.803 1.00 0.00 C ATOM 1259 CG ASP A 104 -10.371 -11.030 2.652 1.00 0.00 C ATOM 1260 OD1 ASP A 104 -10.666 -11.687 3.672 1.00 0.00 O ATOM 1261 OD2 ASP A 104 -10.802 -11.305 1.513 1.00 0.00 O ATOM 0 H ASP A 104 -8.225 -9.647 5.388 1.00 0.00 H new ATOM 0 HA ASP A 104 -7.735 -11.131 2.892 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -9.916 -9.096 3.447 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -9.299 -9.370 1.830 1.00 0.00 H new ATOM 1266 N ILE A 105 -5.979 -9.151 3.886 1.00 0.00 N ATOM 1267 CA ILE A 105 -4.935 -8.141 3.772 1.00 0.00 C ATOM 1268 C ILE A 105 -3.565 -8.731 4.074 1.00 0.00 C ATOM 1269 O ILE A 105 -3.393 -9.455 5.055 1.00 0.00 O ATOM 1270 CB ILE A 105 -5.181 -6.971 4.744 1.00 0.00 C ATOM 1271 CG1 ILE A 105 -6.535 -6.318 4.471 1.00 0.00 C ATOM 1272 CG2 ILE A 105 -4.063 -5.947 4.632 1.00 0.00 C ATOM 1273 CD1 ILE A 105 -6.871 -5.198 5.430 1.00 0.00 C ATOM 0 H ILE A 105 -5.786 -9.878 4.575 1.00 0.00 H new ATOM 0 HA ILE A 105 -4.962 -7.777 2.745 1.00 0.00 H new ATOM 0 HB ILE A 105 -5.191 -7.364 5.761 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -6.542 -5.928 3.453 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -7.314 -7.079 4.527 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -4.250 -5.126 5.324 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -3.112 -6.419 4.877 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -4.024 -5.561 3.614 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -7.846 -4.782 5.176 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -6.896 -5.586 6.448 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -6.113 -4.418 5.358 1.00 0.00 H new ATOM 1285 N PHE A 106 -2.588 -8.407 3.235 1.00 0.00 N ATOM 1286 CA PHE A 106 -1.230 -8.894 3.426 1.00 0.00 C ATOM 1287 C PHE A 106 -0.588 -8.199 4.624 1.00 0.00 C ATOM 1288 O PHE A 106 -1.287 -7.719 5.516 1.00 0.00 O ATOM 1289 CB PHE A 106 -0.404 -8.658 2.156 1.00 0.00 C ATOM 1290 CG PHE A 106 -0.289 -7.211 1.757 1.00 0.00 C ATOM 1291 CD1 PHE A 106 -1.232 -6.633 0.921 1.00 0.00 C ATOM 1292 CD2 PHE A 106 0.768 -6.434 2.203 1.00 0.00 C ATOM 1293 CE1 PHE A 106 -1.125 -5.309 0.541 1.00 0.00 C ATOM 1294 CE2 PHE A 106 0.880 -5.108 1.827 1.00 0.00 C ATOM 1295 CZ PHE A 106 -0.067 -4.545 0.995 1.00 0.00 C ATOM 0 H PHE A 106 -2.712 -7.810 2.417 1.00 0.00 H new ATOM 0 HA PHE A 106 -1.260 -9.965 3.624 1.00 0.00 H new ATOM 0 HB2 PHE A 106 0.597 -9.063 2.306 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -0.854 -9.216 1.334 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -2.061 -7.225 0.562 1.00 0.00 H new ATOM 0 HD2 PHE A 106 1.513 -6.869 2.852 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -1.867 -4.872 -0.110 1.00 0.00 H new ATOM 0 HE2 PHE A 106 1.708 -4.513 2.184 1.00 0.00 H new ATOM 0 HZ PHE A 106 0.019 -3.510 0.700 1.00 0.00 H new ATOM 1305 N GLU A 107 0.738 -8.138 4.638 1.00 0.00 N ATOM 1306 CA GLU A 107 1.459 -7.491 5.728 1.00 0.00 C ATOM 1307 C GLU A 107 2.776 -6.917 5.238 1.00 0.00 C ATOM 1308 O GLU A 107 3.306 -7.338 4.209 1.00 0.00 O ATOM 1309 CB GLU A 107 1.726 -8.469 6.871 1.00 0.00 C ATOM 1310 CG GLU A 107 0.471 -8.996 7.528 1.00 0.00 C ATOM 1311 CD GLU A 107 0.761 -9.884 8.722 1.00 0.00 C ATOM 1312 OE1 GLU A 107 1.394 -9.398 9.683 1.00 0.00 O ATOM 1313 OE2 GLU A 107 0.355 -11.065 8.697 1.00 0.00 O ATOM 0 H GLU A 107 1.335 -8.528 3.909 1.00 0.00 H new ATOM 0 HA GLU A 107 0.830 -6.681 6.098 1.00 0.00 H new ATOM 0 HB2 GLU A 107 2.306 -9.310 6.490 1.00 0.00 H new ATOM 0 HB3 GLU A 107 2.339 -7.974 7.624 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -0.147 -8.156 7.847 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -0.109 -9.558 6.795 1.00 0.00 H new ATOM 1320 N ALA A 108 3.299 -5.953 5.985 1.00 0.00 N ATOM 1321 CA ALA A 108 4.558 -5.317 5.639 1.00 0.00 C ATOM 1322 C ALA A 108 5.632 -6.356 5.350 1.00 0.00 C ATOM 1323 O ALA A 108 6.588 -6.083 4.627 1.00 0.00 O ATOM 1324 CB ALA A 108 5.005 -4.389 6.758 1.00 0.00 C ATOM 0 H ALA A 108 2.867 -5.595 6.837 1.00 0.00 H new ATOM 0 HA ALA A 108 4.405 -4.728 4.735 1.00 0.00 H new ATOM 0 HB1 ALA A 108 5.950 -3.919 6.485 1.00 0.00 H new ATOM 0 HB2 ALA A 108 4.249 -3.620 6.916 1.00 0.00 H new ATOM 0 HB3 ALA A 108 5.137 -4.962 7.676 1.00 0.00 H new ATOM 1330 N ASN A 109 5.473 -7.549 5.918 1.00 0.00 N ATOM 1331 CA ASN A 109 6.435 -8.617 5.716 1.00 0.00 C ATOM 1332 C ASN A 109 6.232 -9.298 4.367 1.00 0.00 C ATOM 1333 O ASN A 109 7.193 -9.579 3.654 1.00 0.00 O ATOM 1334 CB ASN A 109 6.316 -9.644 6.837 1.00 0.00 C ATOM 1335 CG ASN A 109 6.612 -9.068 8.209 1.00 0.00 C ATOM 1336 OD1 ASN A 109 6.899 -7.773 8.266 1.00 0.00 O flip ATOM 1337 ND2 ASN A 109 6.579 -9.782 9.211 1.00 0.00 N flip ATOM 0 H ASN A 109 4.687 -7.795 6.520 1.00 0.00 H new ATOM 0 HA ASN A 109 7.433 -8.178 5.728 1.00 0.00 H new ATOM 0 HB2 ASN A 109 5.309 -10.060 6.834 1.00 0.00 H new ATOM 0 HB3 ASN A 109 7.002 -10.468 6.640 1.00 0.00 H new ATOM 0 HD21 ASN A 109 6.354 -10.773 9.124 1.00 0.00 H new ATOM 0 HD22 ASN A 109 6.777 -9.383 10.129 1.00 0.00 H new ATOM 1344 N ASP A 110 4.977 -9.569 4.027 1.00 0.00 N ATOM 1345 CA ASP A 110 4.652 -10.223 2.766 1.00 0.00 C ATOM 1346 C ASP A 110 5.132 -9.395 1.579 1.00 0.00 C ATOM 1347 O ASP A 110 5.732 -9.922 0.643 1.00 0.00 O ATOM 1348 CB ASP A 110 3.143 -10.458 2.663 1.00 0.00 C ATOM 1349 CG ASP A 110 2.614 -11.346 3.773 1.00 0.00 C ATOM 1350 OD1 ASP A 110 3.421 -11.784 4.620 1.00 0.00 O ATOM 1351 OD2 ASP A 110 1.392 -11.604 3.795 1.00 0.00 O ATOM 0 H ASP A 110 4.168 -9.346 4.607 1.00 0.00 H new ATOM 0 HA ASP A 110 5.166 -11.184 2.744 1.00 0.00 H new ATOM 0 HB2 ASP A 110 2.627 -9.499 2.693 1.00 0.00 H new ATOM 0 HB3 ASP A 110 2.915 -10.913 1.699 1.00 0.00 H new ATOM 1356 N LEU A 111 4.859 -8.095 1.624 1.00 0.00 N ATOM 1357 CA LEU A 111 5.257 -7.191 0.550 1.00 0.00 C ATOM 1358 C LEU A 111 6.768 -6.959 0.546 1.00 0.00 C ATOM 1359 O LEU A 111 7.408 -7.030 -0.503 1.00 0.00 O ATOM 1360 CB LEU A 111 4.518 -5.856 0.685 1.00 0.00 C ATOM 1361 CG LEU A 111 4.912 -4.785 -0.332 1.00 0.00 C ATOM 1362 CD1 LEU A 111 4.647 -5.263 -1.753 1.00 0.00 C ATOM 1363 CD2 LEU A 111 4.163 -3.490 -0.055 1.00 0.00 C ATOM 0 H LEU A 111 4.364 -7.643 2.393 1.00 0.00 H new ATOM 0 HA LEU A 111 4.988 -7.657 -0.398 1.00 0.00 H new ATOM 0 HB2 LEU A 111 3.448 -6.042 0.596 1.00 0.00 H new ATOM 0 HB3 LEU A 111 4.691 -5.463 1.687 1.00 0.00 H new ATOM 0 HG LEU A 111 5.981 -4.596 -0.233 1.00 0.00 H new ATOM 0 HD11 LEU A 111 4.935 -4.484 -2.459 1.00 0.00 H new ATOM 0 HD12 LEU A 111 5.229 -6.163 -1.949 1.00 0.00 H new ATOM 0 HD13 LEU A 111 3.586 -5.485 -1.870 1.00 0.00 H new ATOM 0 HD21 LEU A 111 4.454 -2.737 -0.788 1.00 0.00 H new ATOM 0 HD22 LEU A 111 3.090 -3.668 -0.125 1.00 0.00 H new ATOM 0 HD23 LEU A 111 4.407 -3.135 0.946 1.00 0.00 H new ATOM 1375 N PHE A 112 7.333 -6.673 1.718 1.00 0.00 N ATOM 1376 CA PHE A 112 8.769 -6.423 1.834 1.00 0.00 C ATOM 1377 C PHE A 112 9.579 -7.646 1.413 1.00 0.00 C ATOM 1378 O PHE A 112 10.445 -7.558 0.543 1.00 0.00 O ATOM 1379 CB PHE A 112 9.132 -6.036 3.269 1.00 0.00 C ATOM 1380 CG PHE A 112 10.583 -5.683 3.449 1.00 0.00 C ATOM 1381 CD1 PHE A 112 11.175 -4.697 2.674 1.00 0.00 C ATOM 1382 CD2 PHE A 112 11.353 -6.336 4.399 1.00 0.00 C ATOM 1383 CE1 PHE A 112 12.508 -4.371 2.842 1.00 0.00 C ATOM 1384 CE2 PHE A 112 12.686 -6.014 4.571 1.00 0.00 C ATOM 1385 CZ PHE A 112 13.264 -5.031 3.792 1.00 0.00 C ATOM 0 H PHE A 112 6.821 -6.609 2.598 1.00 0.00 H new ATOM 0 HA PHE A 112 9.015 -5.598 1.166 1.00 0.00 H new ATOM 0 HB2 PHE A 112 8.520 -5.187 3.573 1.00 0.00 H new ATOM 0 HB3 PHE A 112 8.883 -6.863 3.934 1.00 0.00 H new ATOM 0 HD1 PHE A 112 10.588 -4.178 1.931 1.00 0.00 H new ATOM 0 HD2 PHE A 112 10.906 -7.105 5.012 1.00 0.00 H new ATOM 0 HE1 PHE A 112 12.958 -3.602 2.232 1.00 0.00 H new ATOM 0 HE2 PHE A 112 13.275 -6.531 5.314 1.00 0.00 H new ATOM 0 HZ PHE A 112 14.306 -4.778 3.925 1.00 0.00 H new ATOM 1395 N GLU A 113 9.289 -8.787 2.032 1.00 0.00 N ATOM 1396 CA GLU A 113 9.988 -10.023 1.715 1.00 0.00 C ATOM 1397 C GLU A 113 9.568 -10.523 0.343 1.00 0.00 C ATOM 1398 O GLU A 113 10.193 -11.418 -0.227 1.00 0.00 O ATOM 1399 CB GLU A 113 9.701 -11.089 2.775 1.00 0.00 C ATOM 1400 CG GLU A 113 10.137 -10.692 4.171 1.00 0.00 C ATOM 1401 CD GLU A 113 9.844 -11.763 5.202 1.00 0.00 C ATOM 1402 OE1 GLU A 113 10.369 -12.887 5.056 1.00 0.00 O ATOM 1403 OE2 GLU A 113 9.092 -11.478 6.157 1.00 0.00 O ATOM 0 H GLU A 113 8.575 -8.879 2.755 1.00 0.00 H new ATOM 0 HA GLU A 113 11.060 -9.823 1.706 1.00 0.00 H new ATOM 0 HB2 GLU A 113 8.632 -11.301 2.784 1.00 0.00 H new ATOM 0 HB3 GLU A 113 10.207 -12.013 2.495 1.00 0.00 H new ATOM 0 HG2 GLU A 113 11.206 -10.480 4.167 1.00 0.00 H new ATOM 0 HG3 GLU A 113 9.631 -9.770 4.457 1.00 0.00 H new ATOM 1410 N ASN A 114 8.492 -9.938 -0.175 1.00 0.00 N ATOM 1411 CA ASN A 114 7.963 -10.313 -1.477 1.00 0.00 C ATOM 1412 C ASN A 114 7.516 -11.768 -1.471 1.00 0.00 C ATOM 1413 O ASN A 114 7.539 -12.442 -2.500 1.00 0.00 O ATOM 1414 CB ASN A 114 9.015 -10.088 -2.564 1.00 0.00 C ATOM 1415 CG ASN A 114 9.404 -8.629 -2.699 1.00 0.00 C ATOM 1416 OD1 ASN A 114 10.682 -8.336 -2.493 1.00 0.00 O flip ATOM 1417 ND2 ASN A 114 8.565 -7.775 -2.988 1.00 0.00 N flip ATOM 0 H ASN A 114 7.968 -9.198 0.293 1.00 0.00 H new ATOM 0 HA ASN A 114 7.099 -9.685 -1.692 1.00 0.00 H new ATOM 0 HB2 ASN A 114 9.902 -10.678 -2.335 1.00 0.00 H new ATOM 0 HB3 ASN A 114 8.630 -10.448 -3.518 1.00 0.00 H new ATOM 0 HD21 ASN A 114 7.593 -8.045 -3.138 1.00 0.00 H new ATOM 0 HD22 ASN A 114 8.842 -6.798 -3.078 1.00 0.00 H new ATOM 1424 N THR A 115 7.102 -12.244 -0.299 1.00 0.00 N ATOM 1425 CA THR A 115 6.641 -13.619 -0.158 1.00 0.00 C ATOM 1426 C THR A 115 5.284 -13.804 -0.829 1.00 0.00 C ATOM 1427 O THR A 115 5.108 -14.689 -1.666 1.00 0.00 O ATOM 1428 CB THR A 115 6.530 -14.029 1.322 1.00 0.00 C ATOM 1429 OG1 THR A 115 5.623 -13.157 2.008 1.00 0.00 O ATOM 1430 CG2 THR A 115 7.892 -13.985 1.999 1.00 0.00 C ATOM 0 H THR A 115 7.077 -11.699 0.563 1.00 0.00 H new ATOM 0 HA THR A 115 7.380 -14.256 -0.644 1.00 0.00 H new ATOM 0 HB THR A 115 6.152 -15.051 1.364 1.00 0.00 H new ATOM 0 HG1 THR A 115 4.709 -13.500 1.920 1.00 0.00 H new ATOM 0 HG21 THR A 115 7.789 -14.278 3.044 1.00 0.00 H new ATOM 0 HG22 THR A 115 8.571 -14.672 1.495 1.00 0.00 H new ATOM 0 HG23 THR A 115 8.293 -12.973 1.944 1.00 0.00 H new ATOM 1438 N ASN A 116 4.330 -12.953 -0.460 1.00 0.00 N ATOM 1439 CA ASN A 116 2.991 -13.013 -1.030 1.00 0.00 C ATOM 1440 C ASN A 116 2.861 -12.058 -2.212 1.00 0.00 C ATOM 1441 O ASN A 116 3.091 -10.856 -2.077 1.00 0.00 O ATOM 1442 CB ASN A 116 1.945 -12.671 0.036 1.00 0.00 C ATOM 1443 CG ASN A 116 1.959 -13.649 1.195 1.00 0.00 C ATOM 1444 OD1 ASN A 116 2.969 -13.800 1.882 1.00 0.00 O ATOM 1445 ND2 ASN A 116 0.834 -14.319 1.416 1.00 0.00 N ATOM 0 H ASN A 116 4.461 -12.215 0.231 1.00 0.00 H new ATOM 0 HA ASN A 116 2.818 -14.029 -1.386 1.00 0.00 H new ATOM 0 HB2 ASN A 116 2.129 -11.664 0.411 1.00 0.00 H new ATOM 0 HB3 ASN A 116 0.955 -12.666 -0.419 1.00 0.00 H new ATOM 0 HD21 ASN A 116 0.783 -14.991 2.181 1.00 0.00 H new ATOM 0 HD22 ASN A 116 0.021 -14.161 0.820 1.00 0.00 H new ATOM 1452 N HIS A 117 2.486 -12.596 -3.369 1.00 0.00 N ATOM 1453 CA HIS A 117 2.321 -11.784 -4.570 1.00 0.00 C ATOM 1454 C HIS A 117 0.847 -11.503 -4.834 1.00 0.00 C ATOM 1455 O HIS A 117 0.424 -10.349 -4.895 1.00 0.00 O ATOM 1456 CB HIS A 117 2.943 -12.486 -5.780 1.00 0.00 C ATOM 1457 CG HIS A 117 4.419 -12.714 -5.660 1.00 0.00 C ATOM 1458 ND1 HIS A 117 5.163 -13.341 -6.637 1.00 0.00 N ATOM 1459 CD2 HIS A 117 5.292 -12.392 -4.675 1.00 0.00 C ATOM 1460 CE1 HIS A 117 6.427 -13.397 -6.258 1.00 0.00 C ATOM 1461 NE2 HIS A 117 6.532 -12.827 -5.072 1.00 0.00 N ATOM 0 H HIS A 117 2.291 -13.589 -3.500 1.00 0.00 H new ATOM 0 HA HIS A 117 2.833 -10.835 -4.409 1.00 0.00 H new ATOM 0 HB2 HIS A 117 2.448 -13.446 -5.924 1.00 0.00 H new ATOM 0 HB3 HIS A 117 2.749 -11.890 -6.672 1.00 0.00 H new ATOM 0 HD2 HIS A 117 5.056 -11.887 -3.750 1.00 0.00 H new ATOM 0 HE1 HIS A 117 7.237 -13.835 -6.822 1.00 0.00 H new ATOM 0 HE2 HIS A 117 7.395 -12.726 -4.537 1.00 0.00 H new ATOM 1470 N THR A 118 0.069 -12.570 -4.983 1.00 0.00 N ATOM 1471 CA THR A 118 -1.361 -12.444 -5.235 1.00 0.00 C ATOM 1472 C THR A 118 -2.082 -11.882 -4.018 1.00 0.00 C ATOM 1473 O THR A 118 -2.982 -11.051 -4.147 1.00 0.00 O ATOM 1474 CB THR A 118 -1.985 -13.797 -5.614 1.00 0.00 C ATOM 1475 OG1 THR A 118 -1.721 -14.765 -4.591 1.00 0.00 O ATOM 1476 CG2 THR A 118 -1.431 -14.286 -6.942 1.00 0.00 C ATOM 0 H THR A 118 0.405 -13.532 -4.934 1.00 0.00 H new ATOM 0 HA THR A 118 -1.478 -11.755 -6.072 1.00 0.00 H new ATOM 0 HB THR A 118 -3.063 -13.665 -5.712 1.00 0.00 H new ATOM 0 HG1 THR A 118 -2.124 -15.623 -4.841 1.00 0.00 H new ATOM 0 HG21 THR A 118 -1.884 -15.245 -7.194 1.00 0.00 H new ATOM 0 HG22 THR A 118 -1.661 -13.560 -7.722 1.00 0.00 H new ATOM 0 HG23 THR A 118 -0.350 -14.405 -6.864 1.00 0.00 H new ATOM 1484 N GLN A 119 -1.677 -12.339 -2.836 1.00 0.00 N ATOM 1485 CA GLN A 119 -2.277 -11.884 -1.591 1.00 0.00 C ATOM 1486 C GLN A 119 -2.282 -10.360 -1.524 1.00 0.00 C ATOM 1487 O GLN A 119 -3.249 -9.753 -1.063 1.00 0.00 O ATOM 1488 CB GLN A 119 -1.510 -12.458 -0.400 1.00 0.00 C ATOM 1489 CG GLN A 119 -2.063 -12.028 0.948 1.00 0.00 C ATOM 1490 CD GLN A 119 -3.495 -12.477 1.163 1.00 0.00 C ATOM 1491 OE1 GLN A 119 -3.791 -13.671 1.149 1.00 0.00 O ATOM 1492 NE2 GLN A 119 -4.392 -11.518 1.363 1.00 0.00 N ATOM 0 H GLN A 119 -0.933 -13.026 -2.717 1.00 0.00 H new ATOM 0 HA GLN A 119 -3.308 -12.236 -1.554 1.00 0.00 H new ATOM 0 HB2 GLN A 119 -1.527 -13.546 -0.459 1.00 0.00 H new ATOM 0 HB3 GLN A 119 -0.466 -12.151 -0.469 1.00 0.00 H new ATOM 0 HG2 GLN A 119 -1.436 -12.436 1.740 1.00 0.00 H new ATOM 0 HG3 GLN A 119 -2.011 -10.942 1.028 1.00 0.00 H new ATOM 0 HE21 GLN A 119 -4.101 -10.540 1.366 1.00 0.00 H new ATOM 0 HE22 GLN A 119 -5.372 -11.759 1.513 1.00 0.00 H new ATOM 1501 N VAL A 120 -1.197 -9.750 -1.993 1.00 0.00 N ATOM 1502 CA VAL A 120 -1.082 -8.297 -1.989 1.00 0.00 C ATOM 1503 C VAL A 120 -2.196 -7.661 -2.815 1.00 0.00 C ATOM 1504 O VAL A 120 -2.877 -6.749 -2.352 1.00 0.00 O ATOM 1505 CB VAL A 120 0.287 -7.835 -2.532 1.00 0.00 C ATOM 1506 CG1 VAL A 120 0.322 -6.322 -2.691 1.00 0.00 C ATOM 1507 CG2 VAL A 120 1.410 -8.306 -1.617 1.00 0.00 C ATOM 0 H VAL A 120 -0.389 -10.238 -2.379 1.00 0.00 H new ATOM 0 HA VAL A 120 -1.172 -7.972 -0.952 1.00 0.00 H new ATOM 0 HB VAL A 120 0.434 -8.282 -3.515 1.00 0.00 H new ATOM 0 HG11 VAL A 120 1.296 -6.019 -3.075 1.00 0.00 H new ATOM 0 HG12 VAL A 120 -0.456 -6.011 -3.389 1.00 0.00 H new ATOM 0 HG13 VAL A 120 0.151 -5.850 -1.723 1.00 0.00 H new ATOM 0 HG21 VAL A 120 2.368 -7.972 -2.015 1.00 0.00 H new ATOM 0 HG22 VAL A 120 1.266 -7.890 -0.620 1.00 0.00 H new ATOM 0 HG23 VAL A 120 1.401 -9.394 -1.560 1.00 0.00 H new ATOM 1517 N GLN A 121 -2.382 -8.157 -4.037 1.00 0.00 N ATOM 1518 CA GLN A 121 -3.420 -7.640 -4.925 1.00 0.00 C ATOM 1519 C GLN A 121 -4.806 -7.838 -4.318 1.00 0.00 C ATOM 1520 O GLN A 121 -5.687 -6.993 -4.473 1.00 0.00 O ATOM 1521 CB GLN A 121 -3.347 -8.325 -6.291 1.00 0.00 C ATOM 1522 CG GLN A 121 -2.080 -8.002 -7.068 1.00 0.00 C ATOM 1523 CD GLN A 121 -2.004 -8.719 -8.405 1.00 0.00 C ATOM 1524 OE1 GLN A 121 -1.035 -8.561 -9.148 1.00 0.00 O ATOM 1525 NE2 GLN A 121 -3.023 -9.512 -8.722 1.00 0.00 N ATOM 0 H GLN A 121 -1.828 -8.916 -4.434 1.00 0.00 H new ATOM 0 HA GLN A 121 -3.248 -6.571 -5.054 1.00 0.00 H new ATOM 0 HB2 GLN A 121 -3.412 -9.404 -6.151 1.00 0.00 H new ATOM 0 HB3 GLN A 121 -4.212 -8.028 -6.884 1.00 0.00 H new ATOM 0 HG2 GLN A 121 -2.028 -6.926 -7.236 1.00 0.00 H new ATOM 0 HG3 GLN A 121 -1.212 -8.274 -6.467 1.00 0.00 H new ATOM 0 HE21 GLN A 121 -3.808 -9.616 -8.079 1.00 0.00 H new ATOM 0 HE22 GLN A 121 -3.020 -10.016 -9.609 1.00 0.00 H new ATOM 1534 N SER A 122 -4.990 -8.964 -3.635 1.00 0.00 N ATOM 1535 CA SER A 122 -6.270 -9.282 -3.006 1.00 0.00 C ATOM 1536 C SER A 122 -6.759 -8.127 -2.137 1.00 0.00 C ATOM 1537 O SER A 122 -7.947 -7.808 -2.126 1.00 0.00 O ATOM 1538 CB SER A 122 -6.143 -10.552 -2.162 1.00 0.00 C ATOM 1539 OG SER A 122 -7.376 -10.880 -1.544 1.00 0.00 O ATOM 0 H SER A 122 -4.269 -9.673 -3.502 1.00 0.00 H new ATOM 0 HA SER A 122 -7.001 -9.448 -3.797 1.00 0.00 H new ATOM 0 HB2 SER A 122 -5.817 -11.380 -2.792 1.00 0.00 H new ATOM 0 HB3 SER A 122 -5.377 -10.411 -1.400 1.00 0.00 H new ATOM 0 HG SER A 122 -7.268 -11.696 -1.012 1.00 0.00 H new ATOM 1545 N THR A 123 -5.834 -7.504 -1.410 1.00 0.00 N ATOM 1546 CA THR A 123 -6.173 -6.386 -0.538 1.00 0.00 C ATOM 1547 C THR A 123 -6.835 -5.257 -1.325 1.00 0.00 C ATOM 1548 O THR A 123 -7.857 -4.715 -0.907 1.00 0.00 O ATOM 1549 CB THR A 123 -4.925 -5.836 0.178 1.00 0.00 C ATOM 1550 OG1 THR A 123 -4.311 -6.873 0.954 1.00 0.00 O ATOM 1551 CG2 THR A 123 -5.289 -4.669 1.085 1.00 0.00 C ATOM 0 H THR A 123 -4.845 -7.755 -1.409 1.00 0.00 H new ATOM 0 HA THR A 123 -6.873 -6.764 0.207 1.00 0.00 H new ATOM 0 HB THR A 123 -4.225 -5.482 -0.579 1.00 0.00 H new ATOM 0 HG1 THR A 123 -3.385 -6.625 1.157 1.00 0.00 H new ATOM 0 HG21 THR A 123 -4.391 -4.298 1.579 1.00 0.00 H new ATOM 0 HG22 THR A 123 -5.732 -3.870 0.490 1.00 0.00 H new ATOM 0 HG23 THR A 123 -6.005 -5.002 1.836 1.00 0.00 H new ATOM 1559 N LEU A 124 -6.242 -4.911 -2.464 1.00 0.00 N ATOM 1560 CA LEU A 124 -6.770 -3.849 -3.313 1.00 0.00 C ATOM 1561 C LEU A 124 -8.223 -4.116 -3.699 1.00 0.00 C ATOM 1562 O LEU A 124 -9.049 -3.204 -3.706 1.00 0.00 O ATOM 1563 CB LEU A 124 -5.920 -3.702 -4.578 1.00 0.00 C ATOM 1564 CG LEU A 124 -4.483 -3.225 -4.355 1.00 0.00 C ATOM 1565 CD1 LEU A 124 -3.640 -4.317 -3.718 1.00 0.00 C ATOM 1566 CD2 LEU A 124 -3.861 -2.787 -5.672 1.00 0.00 C ATOM 0 H LEU A 124 -5.394 -5.352 -2.820 1.00 0.00 H new ATOM 0 HA LEU A 124 -6.730 -2.921 -2.742 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -5.890 -4.665 -5.088 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -6.417 -3.001 -5.249 1.00 0.00 H new ATOM 0 HG LEU A 124 -4.511 -2.373 -3.675 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -2.623 -3.952 -3.570 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -4.070 -4.593 -2.755 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -3.621 -5.190 -4.371 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -2.839 -2.450 -5.498 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -3.853 -3.626 -6.367 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -4.445 -1.970 -6.096 1.00 0.00 H new ATOM 1578 N ILE A 125 -8.524 -5.369 -4.026 1.00 0.00 N ATOM 1579 CA ILE A 125 -9.875 -5.753 -4.422 1.00 0.00 C ATOM 1580 C ILE A 125 -10.893 -5.401 -3.341 1.00 0.00 C ATOM 1581 O ILE A 125 -11.927 -4.795 -3.623 1.00 0.00 O ATOM 1582 CB ILE A 125 -9.963 -7.263 -4.722 1.00 0.00 C ATOM 1583 CG1 ILE A 125 -8.977 -7.641 -5.831 1.00 0.00 C ATOM 1584 CG2 ILE A 125 -11.384 -7.644 -5.115 1.00 0.00 C ATOM 1585 CD1 ILE A 125 -8.956 -9.122 -6.147 1.00 0.00 C ATOM 0 H ILE A 125 -7.851 -6.136 -4.025 1.00 0.00 H new ATOM 0 HA ILE A 125 -10.108 -5.193 -5.328 1.00 0.00 H new ATOM 0 HB ILE A 125 -9.697 -7.815 -3.820 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -9.232 -7.089 -6.736 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -7.975 -7.327 -5.537 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -11.430 -8.713 -5.324 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -12.064 -7.404 -4.298 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -11.677 -7.088 -6.005 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -8.235 -9.314 -6.941 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -8.671 -9.680 -5.255 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -9.947 -9.439 -6.472 1.00 0.00 H new ATOM 1597 N ALA A 126 -10.593 -5.783 -2.103 1.00 0.00 N ATOM 1598 CA ALA A 126 -11.483 -5.508 -0.981 1.00 0.00 C ATOM 1599 C ALA A 126 -11.592 -4.009 -0.716 1.00 0.00 C ATOM 1600 O ALA A 126 -12.681 -3.488 -0.480 1.00 0.00 O ATOM 1601 CB ALA A 126 -10.998 -6.232 0.266 1.00 0.00 C ATOM 0 H ALA A 126 -9.741 -6.284 -1.852 1.00 0.00 H new ATOM 0 HA ALA A 126 -12.476 -5.876 -1.240 1.00 0.00 H new ATOM 0 HB1 ALA A 126 -11.671 -6.018 1.096 1.00 0.00 H new ATOM 0 HB2 ALA A 126 -10.981 -7.306 0.080 1.00 0.00 H new ATOM 0 HB3 ALA A 126 -9.993 -5.892 0.517 1.00 0.00 H new ATOM 1607 N LEU A 127 -10.454 -3.325 -0.755 1.00 0.00 N ATOM 1608 CA LEU A 127 -10.412 -1.886 -0.516 1.00 0.00 C ATOM 1609 C LEU A 127 -11.230 -1.130 -1.561 1.00 0.00 C ATOM 1610 O LEU A 127 -11.791 -0.073 -1.274 1.00 0.00 O ATOM 1611 CB LEU A 127 -8.964 -1.393 -0.527 1.00 0.00 C ATOM 1612 CG LEU A 127 -8.780 0.097 -0.226 1.00 0.00 C ATOM 1613 CD1 LEU A 127 -9.322 0.436 1.155 1.00 0.00 C ATOM 1614 CD2 LEU A 127 -7.312 0.481 -0.331 1.00 0.00 C ATOM 0 H LEU A 127 -9.545 -3.745 -0.950 1.00 0.00 H new ATOM 0 HA LEU A 127 -10.850 -1.693 0.463 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -8.396 -1.968 0.204 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -8.532 -1.606 -1.505 1.00 0.00 H new ATOM 0 HG LEU A 127 -9.342 0.669 -0.964 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -9.182 1.499 1.350 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -10.384 0.196 1.198 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -8.788 -0.144 1.908 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -7.197 1.543 -0.114 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -6.732 -0.100 0.386 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -6.953 0.276 -1.340 1.00 0.00 H new ATOM 1626 N ALA A 128 -11.282 -1.673 -2.773 1.00 0.00 N ATOM 1627 CA ALA A 128 -12.021 -1.049 -3.865 1.00 0.00 C ATOM 1628 C ALA A 128 -13.464 -0.755 -3.466 1.00 0.00 C ATOM 1629 O ALA A 128 -13.970 0.342 -3.701 1.00 0.00 O ATOM 1630 CB ALA A 128 -11.985 -1.937 -5.100 1.00 0.00 C ATOM 0 H ALA A 128 -10.820 -2.547 -3.024 1.00 0.00 H new ATOM 0 HA ALA A 128 -11.539 -0.099 -4.095 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -12.540 -1.460 -5.908 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -10.951 -2.087 -5.410 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -12.438 -2.901 -4.868 1.00 0.00 H new ATOM 1636 N SER A 129 -14.122 -1.741 -2.862 1.00 0.00 N ATOM 1637 CA SER A 129 -15.508 -1.583 -2.433 1.00 0.00 C ATOM 1638 C SER A 129 -15.645 -0.432 -1.440 1.00 0.00 C ATOM 1639 O SER A 129 -16.661 0.260 -1.418 1.00 0.00 O ATOM 1640 CB SER A 129 -16.030 -2.883 -1.815 1.00 0.00 C ATOM 1641 OG SER A 129 -15.239 -3.280 -0.710 1.00 0.00 O ATOM 0 H SER A 129 -13.719 -2.656 -2.659 1.00 0.00 H new ATOM 0 HA SER A 129 -16.108 -1.348 -3.312 1.00 0.00 H new ATOM 0 HB2 SER A 129 -17.063 -2.747 -1.495 1.00 0.00 H new ATOM 0 HB3 SER A 129 -16.030 -3.672 -2.567 1.00 0.00 H new ATOM 0 HG SER A 129 -15.516 -2.781 0.087 1.00 0.00 H new ATOM 1647 N GLN A 130 -14.617 -0.228 -0.625 1.00 0.00 N ATOM 1648 CA GLN A 130 -14.622 0.839 0.357 1.00 0.00 C ATOM 1649 C GLN A 130 -14.639 2.208 -0.316 1.00 0.00 C ATOM 1650 O GLN A 130 -15.374 3.105 0.094 1.00 0.00 O ATOM 1651 CB GLN A 130 -13.396 0.716 1.249 1.00 0.00 C ATOM 1652 CG GLN A 130 -13.559 -0.265 2.402 1.00 0.00 C ATOM 1653 CD GLN A 130 -13.914 -1.665 1.945 1.00 0.00 C ATOM 1654 OE1 GLN A 130 -14.996 -1.901 1.408 1.00 0.00 O ATOM 1655 NE2 GLN A 130 -13.002 -2.605 2.159 1.00 0.00 N ATOM 0 H GLN A 130 -13.768 -0.793 -0.628 1.00 0.00 H new ATOM 0 HA GLN A 130 -15.526 0.748 0.959 1.00 0.00 H new ATOM 0 HB2 GLN A 130 -12.547 0.406 0.640 1.00 0.00 H new ATOM 0 HB3 GLN A 130 -13.155 1.699 1.654 1.00 0.00 H new ATOM 0 HG2 GLN A 130 -12.632 -0.300 2.975 1.00 0.00 H new ATOM 0 HG3 GLN A 130 -14.336 0.099 3.074 1.00 0.00 H new ATOM 0 HE21 GLN A 130 -12.118 -2.365 2.608 1.00 0.00 H new ATOM 0 HE22 GLN A 130 -13.185 -3.567 1.875 1.00 0.00 H new ATOM 1664 N ALA A 131 -13.812 2.361 -1.345 1.00 0.00 N ATOM 1665 CA ALA A 131 -13.714 3.619 -2.074 1.00 0.00 C ATOM 1666 C ALA A 131 -14.863 3.796 -3.067 1.00 0.00 C ATOM 1667 O ALA A 131 -14.655 4.245 -4.195 1.00 0.00 O ATOM 1668 CB ALA A 131 -12.375 3.699 -2.790 1.00 0.00 C ATOM 0 H ALA A 131 -13.198 1.625 -1.694 1.00 0.00 H new ATOM 0 HA ALA A 131 -13.786 4.430 -1.350 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -12.308 4.642 -3.333 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -11.568 3.643 -2.060 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -12.287 2.869 -3.492 1.00 0.00 H new ATOM 1674 N LYS A 132 -16.075 3.454 -2.640 1.00 0.00 N ATOM 1675 CA LYS A 132 -17.253 3.586 -3.490 1.00 0.00 C ATOM 1676 C LYS A 132 -18.530 3.418 -2.674 1.00 0.00 C ATOM 1677 O LYS A 132 -19.502 4.149 -2.865 1.00 0.00 O ATOM 1678 CB LYS A 132 -17.214 2.560 -4.623 1.00 0.00 C ATOM 1679 CG LYS A 132 -17.281 1.116 -4.151 1.00 0.00 C ATOM 1680 CD LYS A 132 -17.329 0.139 -5.312 1.00 0.00 C ATOM 1681 CE LYS A 132 -15.995 0.062 -6.030 1.00 0.00 C ATOM 1682 NZ LYS A 132 -15.674 1.316 -6.764 1.00 0.00 N ATOM 0 H LYS A 132 -16.267 3.083 -1.709 1.00 0.00 H new ATOM 0 HA LYS A 132 -17.248 4.586 -3.923 1.00 0.00 H new ATOM 0 HB2 LYS A 132 -18.047 2.749 -5.300 1.00 0.00 H new ATOM 0 HB3 LYS A 132 -16.298 2.702 -5.197 1.00 0.00 H new ATOM 0 HG2 LYS A 132 -16.413 0.897 -3.529 1.00 0.00 H new ATOM 0 HG3 LYS A 132 -18.163 0.980 -3.526 1.00 0.00 H new ATOM 0 HD2 LYS A 132 -17.604 -0.850 -4.945 1.00 0.00 H new ATOM 0 HD3 LYS A 132 -18.104 0.445 -6.014 1.00 0.00 H new ATOM 0 HE2 LYS A 132 -15.207 -0.144 -5.306 1.00 0.00 H new ATOM 0 HE3 LYS A 132 -16.010 -0.773 -6.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 -15.180 1.083 -7.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 -16.554 1.825 -6.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 -15.064 1.917 -6.174 1.00 0.00 H new ATOM 1696 N THR A 133 -18.518 2.454 -1.760 1.00 0.00 N ATOM 1697 CA THR A 133 -19.670 2.187 -0.908 1.00 0.00 C ATOM 1698 C THR A 133 -19.971 3.384 -0.011 1.00 0.00 C ATOM 1699 O THR A 133 -21.132 3.707 0.240 1.00 0.00 O ATOM 1700 CB THR A 133 -19.443 0.941 -0.031 1.00 0.00 C ATOM 1701 OG1 THR A 133 -19.201 -0.203 -0.859 1.00 0.00 O ATOM 1702 CG2 THR A 133 -20.645 0.677 0.861 1.00 0.00 C ATOM 0 H THR A 133 -17.720 1.842 -1.590 1.00 0.00 H new ATOM 0 HA THR A 133 -20.520 2.005 -1.565 1.00 0.00 H new ATOM 0 HB THR A 133 -18.575 1.125 0.601 1.00 0.00 H new ATOM 0 HG1 THR A 133 -18.237 -0.308 -0.998 1.00 0.00 H new ATOM 0 HG21 THR A 133 -20.459 -0.208 1.470 1.00 0.00 H new ATOM 0 HG22 THR A 133 -20.812 1.536 1.511 1.00 0.00 H new ATOM 0 HG23 THR A 133 -21.528 0.513 0.243 1.00 0.00 H new ATOM 1710 N LYS A 134 -18.915 4.034 0.470 1.00 0.00 N ATOM 1711 CA LYS A 134 -19.059 5.196 1.342 1.00 0.00 C ATOM 1712 C LYS A 134 -19.938 6.259 0.693 1.00 0.00 C ATOM 1713 O LYS A 134 -20.958 6.639 1.307 1.00 0.00 O ATOM 1714 CB LYS A 134 -17.685 5.787 1.668 1.00 0.00 C ATOM 1715 CG LYS A 134 -16.734 4.802 2.329 1.00 0.00 C ATOM 1716 CD LYS A 134 -17.269 4.317 3.668 1.00 0.00 C ATOM 1717 CE LYS A 134 -16.312 3.335 4.327 1.00 0.00 C ATOM 1718 NZ LYS A 134 -16.825 2.857 5.641 1.00 0.00 N ATOM 1719 OXT LYS A 134 -19.600 6.705 -0.424 1.00 0.00 O ATOM 0 H LYS A 134 -17.949 3.775 0.270 1.00 0.00 H new ATOM 0 HA LYS A 134 -19.537 4.868 2.265 1.00 0.00 H new ATOM 0 HB2 LYS A 134 -17.231 6.155 0.748 1.00 0.00 H new ATOM 0 HB3 LYS A 134 -17.816 6.647 2.325 1.00 0.00 H new ATOM 0 HG2 LYS A 134 -16.577 3.949 1.669 1.00 0.00 H new ATOM 0 HG3 LYS A 134 -15.763 5.275 2.475 1.00 0.00 H new ATOM 0 HD2 LYS A 134 -17.429 5.170 4.328 1.00 0.00 H new ATOM 0 HD3 LYS A 134 -18.238 3.840 3.523 1.00 0.00 H new ATOM 0 HE2 LYS A 134 -16.155 2.482 3.667 1.00 0.00 H new ATOM 0 HE3 LYS A 134 -15.342 3.812 4.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 -16.144 2.190 6.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 -16.951 3.668 6.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 -17.738 2.379 5.504 1.00 0.00 H new TER 1733 LYS A 134