USER MOD reduce.3.24.130724 H: found=0, std=0, add=893, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 893 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 83 TYR OH : rot 180:sc= -0.0131 USER MOD Set 1.2: A 87 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 24 HIS : no HE2:sc= 0.288 K(o=0.61,f=-0.0083) USER MOD Set 2.2: A 94 TYR OH : rot 101:sc= 0.318 USER MOD Set 3.1: A 12 MET CE :methyl -126:sc= -0.0199 (180deg=0) USER MOD Set 3.2: A 107 HIS : no HD1:sc= -0.0998 X(o=-0.12,f=-0.17) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -164:sc= -0.0327 (180deg=-0.338) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= -0.139 USER MOD Single : A 7 LYS NZ :NH3+ -128:sc= 0.975! (180deg=-0.579!) USER MOD Single : A 16 GLN : amide:sc= -0.113 X(o=-0.11,f=-0.13) USER MOD Single : A 17 ASN : amide:sc= -0.015 K(o=-0.015,f=-1.6!) USER MOD Single : A 25 ASN : amide:sc= -1.36 K(o=-1.4,f=-5.5!) USER MOD Single : A 27 LYS NZ :NH3+ 170:sc= -0.0186 (180deg=-0.133) USER MOD Single : A 31 ASN : amide:sc= -0.299 X(o=-0.3,f=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 TYR OH : rot 180:sc= -0.0201 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= 0.807 K(o=0.81,f=-4.3!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot -84:sc= 1.08 USER MOD Single : A 55 TYR OH : rot 30:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -0.0621 K(o=-0.062,f=-0.66) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -2.99! C(o=-3!,f=-5.4!) USER MOD Single : A 68 ASN : amide:sc= 0.604 K(o=0.6,f=-0.075) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot -24:sc= 0.739 USER MOD Single : A 75 THR OG1 : rot -72:sc= 1.1 USER MOD Single : A 76 LYS NZ :NH3+ -122:sc= 1.25 (180deg=-0.0149) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 ASN : amide:sc= -2.48! K(o=-2.5!,f=-0.15) USER MOD Single : A 98 LYS NZ :NH3+ -176:sc= -1.17 (180deg=-1.32) USER MOD Single : A 102 LYS NZ :NH3+ -104:sc= 0.953 (180deg=-0.8!) USER MOD Single : A 105 HIS : no HE2:sc= 0.372 K(o=0.37,f=-2.7!) USER MOD Single : A 106 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 108 HIS : no HD1:sc= -0.51 X(o=-0.51,f=-0.3) USER MOD Single : A 109 HIS : no HD1:sc= -0.165 K(o=-0.17,f=-2.2) USER MOD Single : A 110 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 9.939 -24.756 -11.548 1.00 44.11 N ATOM 2 CA MET A 1 9.490 -23.835 -12.614 1.00 12.11 C ATOM 3 C MET A 1 9.987 -22.424 -12.321 1.00 23.42 C ATOM 4 O MET A 1 9.467 -21.742 -11.431 1.00 54.22 O ATOM 5 CB MET A 1 7.956 -23.845 -12.725 1.00 61.23 C ATOM 6 CG MET A 1 7.372 -25.206 -13.083 1.00 55.14 C ATOM 7 SD MET A 1 5.565 -25.213 -13.046 1.00 31.25 S ATOM 8 CE MET A 1 5.222 -26.934 -13.418 1.00 61.02 C ATOM 0 H1 MET A 1 9.841 -25.739 -11.874 1.00 44.11 H new ATOM 0 H2 MET A 1 10.936 -24.564 -11.321 1.00 44.11 H new ATOM 0 H3 MET A 1 9.357 -24.614 -10.698 1.00 44.11 H new ATOM 0 HA MET A 1 9.906 -24.170 -13.564 1.00 12.11 H new ATOM 0 HB2 MET A 1 7.531 -23.516 -11.777 1.00 61.23 H new ATOM 0 HB3 MET A 1 7.651 -23.120 -13.480 1.00 61.23 H new ATOM 0 HG2 MET A 1 7.713 -25.494 -14.077 1.00 55.14 H new ATOM 0 HG3 MET A 1 7.750 -25.955 -12.387 1.00 55.14 H new ATOM 0 HE1 MET A 1 4.144 -27.096 -13.431 1.00 61.02 H new ATOM 0 HE2 MET A 1 5.638 -27.185 -14.394 1.00 61.02 H new ATOM 0 HE3 MET A 1 5.675 -27.568 -12.656 1.00 61.02 H new ATOM 20 N ILE A 2 11.012 -21.996 -13.048 1.00 51.35 N ATOM 21 CA ILE A 2 11.580 -20.665 -12.870 1.00 31.11 C ATOM 22 C ILE A 2 10.683 -19.610 -13.517 1.00 14.52 C ATOM 23 O ILE A 2 10.489 -19.610 -14.736 1.00 50.42 O ATOM 24 CB ILE A 2 13.007 -20.570 -13.469 1.00 13.23 C ATOM 25 CG1 ILE A 2 13.934 -21.613 -12.817 1.00 12.32 C ATOM 26 CG2 ILE A 2 13.573 -19.158 -13.293 1.00 2.53 C ATOM 27 CD1 ILE A 2 15.336 -21.633 -13.390 1.00 34.24 C ATOM 0 H ILE A 2 11.469 -22.554 -13.769 1.00 51.35 H new ATOM 0 HA ILE A 2 11.645 -20.479 -11.798 1.00 31.11 H new ATOM 0 HB ILE A 2 12.948 -20.782 -14.537 1.00 13.23 H new ATOM 0 HG12 ILE A 2 13.992 -21.414 -11.747 1.00 12.32 H new ATOM 0 HG13 ILE A 2 13.490 -22.602 -12.934 1.00 12.32 H new ATOM 0 HG21 ILE A 2 14.575 -19.112 -13.720 1.00 2.53 H new ATOM 0 HG22 ILE A 2 12.928 -18.442 -13.802 1.00 2.53 H new ATOM 0 HG23 ILE A 2 13.619 -18.914 -12.232 1.00 2.53 H new ATOM 0 HD11 ILE A 2 15.927 -22.393 -12.879 1.00 34.24 H new ATOM 0 HD12 ILE A 2 15.291 -21.863 -14.454 1.00 34.24 H new ATOM 0 HD13 ILE A 2 15.800 -20.657 -13.249 1.00 34.24 H new ATOM 39 N GLY A 3 10.112 -18.734 -12.696 1.00 25.12 N ATOM 40 CA GLY A 3 9.306 -17.641 -13.209 1.00 11.14 C ATOM 41 C GLY A 3 10.172 -16.489 -13.680 1.00 64.52 C ATOM 42 O GLY A 3 11.253 -16.259 -13.131 1.00 14.01 O ATOM 0 H GLY A 3 10.194 -18.762 -11.680 1.00 25.12 H new ATOM 0 HA2 GLY A 3 8.691 -17.997 -14.035 1.00 11.14 H new ATOM 0 HA3 GLY A 3 8.626 -17.293 -12.432 1.00 11.14 H new ATOM 46 N MET A 4 9.709 -15.769 -14.691 1.00 35.53 N ATOM 47 CA MET A 4 10.474 -14.670 -15.274 1.00 44.30 C ATOM 48 C MET A 4 9.833 -13.321 -14.939 1.00 43.04 C ATOM 49 O MET A 4 8.622 -13.147 -15.085 1.00 10.14 O ATOM 50 CB MET A 4 10.581 -14.843 -16.799 1.00 11.11 C ATOM 51 CG MET A 4 9.238 -14.861 -17.532 1.00 31.30 C ATOM 52 SD MET A 4 8.160 -16.216 -17.007 1.00 2.12 S ATOM 53 CE MET A 4 6.705 -15.912 -18.012 1.00 10.01 C ATOM 0 H MET A 4 8.801 -15.926 -15.129 1.00 35.53 H new ATOM 0 HA MET A 4 11.476 -14.689 -14.846 1.00 44.30 H new ATOM 0 HB2 MET A 4 11.189 -14.033 -17.202 1.00 11.11 H new ATOM 0 HB3 MET A 4 11.108 -15.773 -17.010 1.00 11.11 H new ATOM 0 HG2 MET A 4 8.727 -13.913 -17.365 1.00 31.30 H new ATOM 0 HG3 MET A 4 9.417 -14.942 -18.604 1.00 31.30 H new ATOM 0 HE1 MET A 4 5.950 -16.669 -17.798 1.00 10.01 H new ATOM 0 HE2 MET A 4 6.304 -14.925 -17.782 1.00 10.01 H new ATOM 0 HE3 MET A 4 6.976 -15.957 -19.067 1.00 10.01 H new ATOM 63 N SER A 5 10.650 -12.383 -14.470 1.00 61.30 N ATOM 64 CA SER A 5 10.200 -11.018 -14.215 1.00 13.23 C ATOM 65 C SER A 5 10.417 -10.161 -15.463 1.00 22.15 C ATOM 66 O SER A 5 11.232 -10.507 -16.325 1.00 30.21 O ATOM 67 CB SER A 5 10.970 -10.420 -13.029 1.00 60.24 C ATOM 68 OG SER A 5 10.917 -11.274 -11.895 1.00 73.11 O ATOM 0 H SER A 5 11.634 -12.545 -14.257 1.00 61.30 H new ATOM 0 HA SER A 5 9.138 -11.034 -13.971 1.00 13.23 H new ATOM 0 HB2 SER A 5 12.009 -10.254 -13.314 1.00 60.24 H new ATOM 0 HB3 SER A 5 10.550 -9.447 -12.774 1.00 60.24 H new ATOM 0 HG SER A 5 11.417 -10.868 -11.156 1.00 73.11 H new ATOM 74 N GLU A 6 9.703 -9.049 -15.559 1.00 64.50 N ATOM 75 CA GLU A 6 9.839 -8.146 -16.699 1.00 32.54 C ATOM 76 C GLU A 6 10.852 -7.042 -16.368 1.00 64.13 C ATOM 77 O GLU A 6 11.541 -7.127 -15.350 1.00 55.32 O ATOM 78 CB GLU A 6 8.459 -7.588 -17.088 1.00 2.25 C ATOM 79 CG GLU A 6 7.720 -6.860 -15.967 1.00 42.55 C ATOM 80 CD GLU A 6 8.198 -5.432 -15.791 1.00 21.31 C ATOM 81 OE1 GLU A 6 7.847 -4.592 -16.639 1.00 64.42 O ATOM 82 OE2 GLU A 6 8.948 -5.151 -14.829 1.00 1.35 O ATOM 0 H GLU A 6 9.022 -8.748 -14.862 1.00 64.50 H new ATOM 0 HA GLU A 6 10.223 -8.686 -17.564 1.00 32.54 H new ATOM 0 HB2 GLU A 6 8.584 -6.902 -17.926 1.00 2.25 H new ATOM 0 HB3 GLU A 6 7.836 -8.411 -17.439 1.00 2.25 H new ATOM 0 HG2 GLU A 6 6.651 -6.859 -16.181 1.00 42.55 H new ATOM 0 HG3 GLU A 6 7.857 -7.404 -15.032 1.00 42.55 H new ATOM 89 N LYS A 7 10.990 -6.037 -17.238 1.00 73.40 N ATOM 90 CA LYS A 7 11.956 -4.956 -17.003 1.00 43.33 C ATOM 91 C LYS A 7 11.361 -3.583 -17.335 1.00 11.24 C ATOM 92 O LYS A 7 11.764 -2.939 -18.308 1.00 53.21 O ATOM 93 CB LYS A 7 13.261 -5.172 -17.804 1.00 13.25 C ATOM 94 CG LYS A 7 14.027 -6.453 -17.445 1.00 30.15 C ATOM 95 CD LYS A 7 13.504 -7.676 -18.203 1.00 51.24 C ATOM 96 CE LYS A 7 14.043 -8.980 -17.623 1.00 1.22 C ATOM 97 NZ LYS A 7 13.527 -9.221 -16.248 1.00 41.24 N ATOM 0 H LYS A 7 10.454 -5.948 -18.101 1.00 73.40 H new ATOM 0 HA LYS A 7 12.196 -4.980 -15.940 1.00 43.33 H new ATOM 0 HB2 LYS A 7 13.020 -5.194 -18.867 1.00 13.25 H new ATOM 0 HB3 LYS A 7 13.916 -4.316 -17.644 1.00 13.25 H new ATOM 0 HG2 LYS A 7 15.085 -6.315 -17.668 1.00 30.15 H new ATOM 0 HG3 LYS A 7 13.948 -6.632 -16.373 1.00 30.15 H new ATOM 0 HD2 LYS A 7 12.415 -7.686 -18.168 1.00 51.24 H new ATOM 0 HD3 LYS A 7 13.788 -7.601 -19.253 1.00 51.24 H new ATOM 0 HE2 LYS A 7 13.760 -9.811 -18.269 1.00 1.22 H new ATOM 0 HE3 LYS A 7 15.132 -8.948 -17.603 1.00 1.22 H new ATOM 0 HZ1 LYS A 7 14.323 -9.413 -15.607 1.00 41.24 H new ATOM 0 HZ2 LYS A 7 13.012 -8.380 -15.918 1.00 41.24 H new ATOM 0 HZ3 LYS A 7 12.885 -10.039 -16.257 1.00 41.24 H new ATOM 111 N ARG A 8 10.382 -3.162 -16.540 1.00 15.12 N ATOM 112 CA ARG A 8 9.833 -1.804 -16.617 1.00 51.23 C ATOM 113 C ARG A 8 9.506 -1.281 -15.220 1.00 20.32 C ATOM 114 O ARG A 8 9.007 -0.161 -15.069 1.00 51.13 O ATOM 115 CB ARG A 8 8.576 -1.756 -17.503 1.00 42.24 C ATOM 116 CG ARG A 8 8.863 -1.683 -18.999 1.00 41.13 C ATOM 117 CD ARG A 8 9.504 -0.353 -19.372 1.00 62.01 C ATOM 118 NE ARG A 8 8.694 0.778 -18.914 1.00 43.42 N ATOM 119 CZ ARG A 8 9.005 2.058 -19.118 1.00 64.14 C ATOM 120 NH1 ARG A 8 10.070 2.386 -19.832 1.00 2.24 N ATOM 121 NH2 ARG A 8 8.234 3.011 -18.614 1.00 51.23 N ATOM 0 H ARG A 8 9.946 -3.746 -15.826 1.00 15.12 H new ATOM 0 HA ARG A 8 10.592 -1.166 -17.069 1.00 51.23 H new ATOM 0 HB2 ARG A 8 7.972 -2.641 -17.304 1.00 42.24 H new ATOM 0 HB3 ARG A 8 7.978 -0.891 -17.217 1.00 42.24 H new ATOM 0 HG2 ARG A 8 9.524 -2.501 -19.286 1.00 41.13 H new ATOM 0 HG3 ARG A 8 7.935 -1.812 -19.557 1.00 41.13 H new ATOM 0 HD2 ARG A 8 10.499 -0.291 -18.932 1.00 62.01 H new ATOM 0 HD3 ARG A 8 9.629 -0.298 -20.453 1.00 62.01 H new ATOM 0 HE ARG A 8 7.834 0.572 -18.405 1.00 43.42 H new ATOM 0 HH11 ARG A 8 10.661 1.657 -20.231 1.00 2.24 H new ATOM 0 HH12 ARG A 8 10.300 3.368 -19.983 1.00 2.24 H new ATOM 0 HH21 ARG A 8 7.406 2.764 -18.072 1.00 51.23 H new ATOM 0 HH22 ARG A 8 8.469 3.992 -18.768 1.00 51.23 H new ATOM 135 N GLY A 9 9.777 -2.104 -14.206 1.00 34.03 N ATOM 136 CA GLY A 9 9.568 -1.699 -12.825 1.00 14.31 C ATOM 137 C GLY A 9 10.351 -0.448 -12.464 1.00 70.34 C ATOM 138 O GLY A 9 11.531 -0.522 -12.114 1.00 60.23 O ATOM 0 H GLY A 9 10.140 -3.050 -14.319 1.00 34.03 H new ATOM 0 HA2 GLY A 9 8.506 -1.520 -12.658 1.00 14.31 H new ATOM 0 HA3 GLY A 9 9.862 -2.513 -12.162 1.00 14.31 H new ATOM 142 N GLU A 10 9.690 0.698 -12.562 1.00 31.12 N ATOM 143 CA GLU A 10 10.314 1.989 -12.289 1.00 44.14 C ATOM 144 C GLU A 10 10.520 2.182 -10.789 1.00 3.20 C ATOM 145 O GLU A 10 11.627 2.489 -10.336 1.00 21.54 O ATOM 146 CB GLU A 10 9.440 3.116 -12.865 1.00 50.14 C ATOM 147 CG GLU A 10 9.975 4.529 -12.623 1.00 51.41 C ATOM 148 CD GLU A 10 11.366 4.757 -13.204 1.00 21.23 C ATOM 149 OE1 GLU A 10 11.599 4.382 -14.371 1.00 52.41 O ATOM 150 OE2 GLU A 10 12.228 5.316 -12.493 1.00 54.52 O ATOM 0 H GLU A 10 8.708 0.761 -12.832 1.00 31.12 H new ATOM 0 HA GLU A 10 11.293 2.018 -12.768 1.00 44.14 H new ATOM 0 HB2 GLU A 10 9.334 2.962 -13.939 1.00 50.14 H new ATOM 0 HB3 GLU A 10 8.443 3.041 -12.432 1.00 50.14 H new ATOM 0 HG2 GLU A 10 9.284 5.251 -13.059 1.00 51.41 H new ATOM 0 HG3 GLU A 10 10.001 4.721 -11.550 1.00 51.41 H new ATOM 157 N ILE A 11 9.447 2.001 -10.023 1.00 74.14 N ATOM 158 CA ILE A 11 9.495 2.153 -8.573 1.00 53.21 C ATOM 159 C ILE A 11 9.211 0.812 -7.896 1.00 53.43 C ATOM 160 O ILE A 11 8.056 0.439 -7.675 1.00 54.11 O ATOM 161 CB ILE A 11 8.495 3.225 -8.070 1.00 64.40 C ATOM 162 CG1 ILE A 11 8.733 4.558 -8.802 1.00 14.41 C ATOM 163 CG2 ILE A 11 8.623 3.409 -6.558 1.00 54.32 C ATOM 164 CD1 ILE A 11 7.782 5.666 -8.398 1.00 52.21 C ATOM 0 H ILE A 11 8.528 1.747 -10.386 1.00 74.14 H new ATOM 0 HA ILE A 11 10.498 2.489 -8.310 1.00 53.21 H new ATOM 0 HB ILE A 11 7.482 2.887 -8.287 1.00 64.40 H new ATOM 0 HG12 ILE A 11 9.756 4.885 -8.614 1.00 14.41 H new ATOM 0 HG13 ILE A 11 8.644 4.391 -9.875 1.00 14.41 H new ATOM 0 HG21 ILE A 11 7.914 4.165 -6.222 1.00 54.32 H new ATOM 0 HG22 ILE A 11 8.411 2.464 -6.057 1.00 54.32 H new ATOM 0 HG23 ILE A 11 9.636 3.729 -6.315 1.00 54.32 H new ATOM 0 HD11 ILE A 11 8.017 6.570 -8.960 1.00 52.21 H new ATOM 0 HD12 ILE A 11 6.757 5.362 -8.612 1.00 52.21 H new ATOM 0 HD13 ILE A 11 7.886 5.864 -7.331 1.00 52.21 H new ATOM 176 N MET A 12 10.283 0.087 -7.614 1.00 4.53 N ATOM 177 CA MET A 12 10.218 -1.227 -6.982 1.00 51.11 C ATOM 178 C MET A 12 10.553 -1.114 -5.494 1.00 73.23 C ATOM 179 O MET A 12 11.547 -0.484 -5.119 1.00 23.34 O ATOM 180 CB MET A 12 11.196 -2.193 -7.673 1.00 64.12 C ATOM 181 CG MET A 12 12.616 -1.641 -7.792 1.00 12.50 C ATOM 182 SD MET A 12 12.709 -0.197 -8.875 1.00 52.01 S ATOM 183 CE MET A 12 14.301 0.501 -8.441 1.00 62.32 C ATOM 0 H MET A 12 11.233 0.395 -7.819 1.00 4.53 H new ATOM 0 HA MET A 12 9.205 -1.617 -7.084 1.00 51.11 H new ATOM 0 HB2 MET A 12 11.224 -3.129 -7.116 1.00 64.12 H new ATOM 0 HB3 MET A 12 10.821 -2.426 -8.669 1.00 64.12 H new ATOM 0 HG2 MET A 12 12.982 -1.372 -6.801 1.00 12.50 H new ATOM 0 HG3 MET A 12 13.275 -2.421 -8.174 1.00 12.50 H new ATOM 0 HE1 MET A 12 14.177 1.549 -8.168 1.00 62.32 H new ATOM 0 HE2 MET A 12 14.720 -0.047 -7.597 1.00 62.32 H new ATOM 0 HE3 MET A 12 14.976 0.426 -9.294 1.00 62.32 H new ATOM 193 N ILE A 13 9.721 -1.717 -4.653 1.00 52.11 N ATOM 194 CA ILE A 13 9.893 -1.652 -3.207 1.00 43.50 C ATOM 195 C ILE A 13 10.229 -3.035 -2.657 1.00 23.11 C ATOM 196 O ILE A 13 9.415 -3.953 -2.742 1.00 74.35 O ATOM 197 CB ILE A 13 8.614 -1.123 -2.506 1.00 70.31 C ATOM 198 CG1 ILE A 13 8.077 0.129 -3.225 1.00 42.53 C ATOM 199 CG2 ILE A 13 8.891 -0.822 -1.032 1.00 50.13 C ATOM 200 CD1 ILE A 13 9.076 1.261 -3.336 1.00 53.31 C ATOM 0 H ILE A 13 8.912 -2.262 -4.952 1.00 52.11 H new ATOM 0 HA ILE A 13 10.711 -0.961 -3.003 1.00 43.50 H new ATOM 0 HB ILE A 13 7.851 -1.900 -2.558 1.00 70.31 H new ATOM 0 HG12 ILE A 13 7.752 -0.153 -4.227 1.00 42.53 H new ATOM 0 HG13 ILE A 13 7.196 0.489 -2.694 1.00 42.53 H new ATOM 0 HG21 ILE A 13 7.981 -0.452 -0.559 1.00 50.13 H new ATOM 0 HG22 ILE A 13 9.217 -1.733 -0.530 1.00 50.13 H new ATOM 0 HG23 ILE A 13 9.673 -0.066 -0.956 1.00 50.13 H new ATOM 0 HD11 ILE A 13 8.616 2.102 -3.855 1.00 53.31 H new ATOM 0 HD12 ILE A 13 9.383 1.574 -2.338 1.00 53.31 H new ATOM 0 HD13 ILE A 13 9.949 0.923 -3.895 1.00 53.31 H new ATOM 212 N LEU A 14 11.434 -3.180 -2.112 1.00 3.13 N ATOM 213 CA LEU A 14 11.892 -4.461 -1.570 1.00 32.43 C ATOM 214 C LEU A 14 11.875 -4.428 -0.043 1.00 74.03 C ATOM 215 O LEU A 14 12.580 -3.625 0.574 1.00 1.10 O ATOM 216 CB LEU A 14 13.308 -4.796 -2.075 1.00 31.14 C ATOM 217 CG LEU A 14 13.417 -5.223 -3.554 1.00 62.21 C ATOM 218 CD1 LEU A 14 13.023 -4.086 -4.498 1.00 2.43 C ATOM 219 CD2 LEU A 14 14.827 -5.716 -3.864 1.00 42.21 C ATOM 0 H LEU A 14 12.115 -2.425 -2.033 1.00 3.13 H new ATOM 0 HA LEU A 14 11.210 -5.238 -1.915 1.00 32.43 H new ATOM 0 HB2 LEU A 14 13.942 -3.923 -1.922 1.00 31.14 H new ATOM 0 HB3 LEU A 14 13.713 -5.597 -1.456 1.00 31.14 H new ATOM 0 HG LEU A 14 12.716 -6.042 -3.716 1.00 62.21 H new ATOM 0 HD11 LEU A 14 13.112 -4.423 -5.531 1.00 2.43 H new ATOM 0 HD12 LEU A 14 11.993 -3.790 -4.301 1.00 2.43 H new ATOM 0 HD13 LEU A 14 13.683 -3.234 -4.336 1.00 2.43 H new ATOM 0 HD21 LEU A 14 14.887 -6.013 -4.911 1.00 42.21 H new ATOM 0 HD22 LEU A 14 15.542 -4.916 -3.673 1.00 42.21 H new ATOM 0 HD23 LEU A 14 15.061 -6.571 -3.230 1.00 42.21 H new ATOM 231 N ILE A 15 11.065 -5.296 0.556 1.00 25.52 N ATOM 232 CA ILE A 15 10.953 -5.389 2.009 1.00 61.44 C ATOM 233 C ILE A 15 10.601 -6.818 2.437 1.00 12.44 C ATOM 234 O ILE A 15 9.712 -7.439 1.858 1.00 24.13 O ATOM 235 CB ILE A 15 9.883 -4.404 2.555 1.00 64.34 C ATOM 236 CG1 ILE A 15 9.753 -4.543 4.083 1.00 53.30 C ATOM 237 CG2 ILE A 15 8.535 -4.624 1.861 1.00 74.34 C ATOM 238 CD1 ILE A 15 8.714 -3.631 4.699 1.00 13.41 C ATOM 0 H ILE A 15 10.470 -5.952 0.051 1.00 25.52 H new ATOM 0 HA ILE A 15 11.922 -5.119 2.428 1.00 61.44 H new ATOM 0 HB ILE A 15 10.206 -3.387 2.335 1.00 64.34 H new ATOM 0 HG12 ILE A 15 9.503 -5.576 4.323 1.00 53.30 H new ATOM 0 HG13 ILE A 15 10.721 -4.335 4.540 1.00 53.30 H new ATOM 0 HG21 ILE A 15 7.802 -3.923 2.260 1.00 74.34 H new ATOM 0 HG22 ILE A 15 8.647 -4.461 0.789 1.00 74.34 H new ATOM 0 HG23 ILE A 15 8.196 -5.644 2.040 1.00 74.34 H new ATOM 0 HD11 ILE A 15 8.684 -3.790 5.777 1.00 13.41 H new ATOM 0 HD12 ILE A 15 8.973 -2.593 4.492 1.00 13.41 H new ATOM 0 HD13 ILE A 15 7.736 -3.853 4.272 1.00 13.41 H new ATOM 250 N GLN A 16 11.323 -7.339 3.435 1.00 2.44 N ATOM 251 CA GLN A 16 11.069 -8.677 3.988 1.00 61.21 C ATOM 252 C GLN A 16 11.057 -9.749 2.891 1.00 21.14 C ATOM 253 O GLN A 16 10.273 -10.697 2.949 1.00 60.40 O ATOM 254 CB GLN A 16 9.740 -8.707 4.767 1.00 60.52 C ATOM 255 CG GLN A 16 9.687 -7.764 5.970 1.00 60.25 C ATOM 256 CD GLN A 16 10.825 -7.980 6.952 1.00 33.34 C ATOM 257 OE1 GLN A 16 11.879 -7.347 6.851 1.00 53.12 O ATOM 258 NE2 GLN A 16 10.628 -8.880 7.901 1.00 53.42 N ATOM 0 H GLN A 16 12.098 -6.848 3.882 1.00 2.44 H new ATOM 0 HA GLN A 16 11.886 -8.902 4.674 1.00 61.21 H new ATOM 0 HB2 GLN A 16 8.928 -8.452 4.086 1.00 60.52 H new ATOM 0 HB3 GLN A 16 9.559 -9.725 5.111 1.00 60.52 H new ATOM 0 HG2 GLN A 16 9.712 -6.733 5.616 1.00 60.25 H new ATOM 0 HG3 GLN A 16 8.738 -7.900 6.488 1.00 60.25 H new ATOM 0 HE21 GLN A 16 9.742 -9.383 7.951 1.00 53.42 H new ATOM 0 HE22 GLN A 16 11.362 -9.071 8.583 1.00 53.42 H new ATOM 267 N ASN A 17 11.951 -9.600 1.909 1.00 33.21 N ATOM 268 CA ASN A 17 12.057 -10.539 0.780 1.00 43.41 C ATOM 269 C ASN A 17 10.797 -10.509 -0.092 1.00 52.31 C ATOM 270 O ASN A 17 10.497 -11.468 -0.806 1.00 61.33 O ATOM 271 CB ASN A 17 12.335 -11.978 1.264 1.00 44.40 C ATOM 272 CG ASN A 17 13.727 -12.158 1.854 1.00 74.50 C ATOM 273 OD1 ASN A 17 14.300 -11.235 2.437 1.00 34.22 O ATOM 274 ND2 ASN A 17 14.288 -13.348 1.695 1.00 51.02 N ATOM 0 H ASN A 17 12.620 -8.831 1.871 1.00 33.21 H new ATOM 0 HA ASN A 17 12.903 -10.213 0.174 1.00 43.41 H new ATOM 0 HB2 ASN A 17 11.592 -12.251 2.014 1.00 44.40 H new ATOM 0 HB3 ASN A 17 12.211 -12.665 0.427 1.00 44.40 H new ATOM 0 HD21 ASN A 17 15.224 -13.524 2.061 1.00 51.02 H new ATOM 0 HD22 ASN A 17 13.784 -14.088 1.207 1.00 51.02 H new ATOM 281 N ALA A 18 10.071 -9.399 -0.037 1.00 32.14 N ATOM 282 CA ALA A 18 8.917 -9.175 -0.900 1.00 14.53 C ATOM 283 C ALA A 18 9.170 -7.955 -1.779 1.00 34.40 C ATOM 284 O ALA A 18 9.719 -6.953 -1.316 1.00 61.33 O ATOM 285 CB ALA A 18 7.648 -8.995 -0.070 1.00 75.52 C ATOM 0 H ALA A 18 10.265 -8.631 0.605 1.00 32.14 H new ATOM 0 HA ALA A 18 8.773 -10.047 -1.538 1.00 14.53 H new ATOM 0 HB1 ALA A 18 6.800 -8.829 -0.734 1.00 75.52 H new ATOM 0 HB2 ALA A 18 7.473 -9.891 0.526 1.00 75.52 H new ATOM 0 HB3 ALA A 18 7.764 -8.136 0.591 1.00 75.52 H new ATOM 291 N GLU A 19 8.785 -8.052 -3.047 1.00 63.42 N ATOM 292 CA GLU A 19 9.031 -6.990 -4.019 1.00 30.51 C ATOM 293 C GLU A 19 7.698 -6.444 -4.521 1.00 4.14 C ATOM 294 O GLU A 19 6.786 -7.213 -4.846 1.00 42.40 O ATOM 295 CB GLU A 19 9.878 -7.545 -5.177 1.00 11.30 C ATOM 296 CG GLU A 19 10.599 -6.493 -6.017 1.00 61.22 C ATOM 297 CD GLU A 19 11.664 -7.107 -6.924 1.00 3.14 C ATOM 298 OE1 GLU A 19 11.301 -7.674 -7.975 1.00 32.21 O ATOM 299 OE2 GLU A 19 12.868 -7.037 -6.579 1.00 31.53 O ATOM 0 H GLU A 19 8.297 -8.862 -3.429 1.00 63.42 H new ATOM 0 HA GLU A 19 9.581 -6.173 -3.553 1.00 30.51 H new ATOM 0 HB2 GLU A 19 10.620 -8.231 -4.767 1.00 11.30 H new ATOM 0 HB3 GLU A 19 9.231 -8.129 -5.832 1.00 11.30 H new ATOM 0 HG2 GLU A 19 9.872 -5.956 -6.626 1.00 61.22 H new ATOM 0 HG3 GLU A 19 11.065 -5.761 -5.357 1.00 61.22 H new ATOM 306 N PHE A 20 7.574 -5.122 -4.549 1.00 32.30 N ATOM 307 CA PHE A 20 6.335 -4.456 -4.956 1.00 31.12 C ATOM 308 C PHE A 20 6.619 -3.406 -6.024 1.00 40.13 C ATOM 309 O PHE A 20 7.752 -2.957 -6.170 1.00 31.33 O ATOM 310 CB PHE A 20 5.668 -3.770 -3.750 1.00 62.15 C ATOM 311 CG PHE A 20 5.310 -4.696 -2.615 1.00 44.43 C ATOM 312 CD1 PHE A 20 6.234 -4.994 -1.625 1.00 15.13 C ATOM 313 CD2 PHE A 20 4.046 -5.258 -2.537 1.00 43.13 C ATOM 314 CE1 PHE A 20 5.905 -5.837 -0.580 1.00 34.41 C ATOM 315 CE2 PHE A 20 3.709 -6.100 -1.494 1.00 44.41 C ATOM 316 CZ PHE A 20 4.640 -6.390 -0.514 1.00 51.41 C ATOM 0 H PHE A 20 8.324 -4.481 -4.292 1.00 32.30 H new ATOM 0 HA PHE A 20 5.665 -5.216 -5.359 1.00 31.12 H new ATOM 0 HB2 PHE A 20 6.338 -2.998 -3.373 1.00 62.15 H new ATOM 0 HB3 PHE A 20 4.762 -3.268 -4.090 1.00 62.15 H new ATOM 0 HD1 PHE A 20 7.223 -4.562 -1.671 1.00 15.13 H new ATOM 0 HD2 PHE A 20 3.315 -5.035 -3.300 1.00 43.13 H new ATOM 0 HE1 PHE A 20 6.635 -6.063 0.183 1.00 34.41 H new ATOM 0 HE2 PHE A 20 2.720 -6.531 -1.445 1.00 44.41 H new ATOM 0 HZ PHE A 20 4.379 -7.048 0.302 1.00 51.41 H new ATOM 326 N GLU A 21 5.588 -3.019 -6.769 1.00 75.03 N ATOM 327 CA GLU A 21 5.686 -1.883 -7.684 1.00 33.10 C ATOM 328 C GLU A 21 4.688 -0.804 -7.266 1.00 41.14 C ATOM 329 O GLU A 21 3.578 -1.114 -6.824 1.00 22.00 O ATOM 330 CB GLU A 21 5.428 -2.303 -9.143 1.00 54.11 C ATOM 331 CG GLU A 21 4.002 -2.779 -9.411 1.00 72.22 C ATOM 332 CD GLU A 21 3.667 -2.863 -10.896 1.00 51.20 C ATOM 333 OE1 GLU A 21 3.546 -1.796 -11.539 1.00 64.03 O ATOM 334 OE2 GLU A 21 3.506 -3.986 -11.419 1.00 0.24 O ATOM 0 H GLU A 21 4.675 -3.474 -6.758 1.00 75.03 H new ATOM 0 HA GLU A 21 6.701 -1.490 -7.629 1.00 33.10 H new ATOM 0 HB2 GLU A 21 5.647 -1.459 -9.797 1.00 54.11 H new ATOM 0 HB3 GLU A 21 6.122 -3.101 -9.409 1.00 54.11 H new ATOM 0 HG2 GLU A 21 3.862 -3.760 -8.957 1.00 72.22 H new ATOM 0 HG3 GLU A 21 3.302 -2.100 -8.925 1.00 72.22 H new ATOM 341 N LEU A 22 5.092 0.454 -7.377 1.00 74.32 N ATOM 342 CA LEU A 22 4.208 1.574 -7.068 1.00 1.05 C ATOM 343 C LEU A 22 3.356 1.907 -8.291 1.00 31.11 C ATOM 344 O LEU A 22 3.861 2.443 -9.280 1.00 73.21 O ATOM 345 CB LEU A 22 5.032 2.796 -6.623 1.00 63.32 C ATOM 346 CG LEU A 22 4.225 4.048 -6.229 1.00 71.21 C ATOM 347 CD1 LEU A 22 3.251 3.739 -5.095 1.00 43.04 C ATOM 348 CD2 LEU A 22 5.165 5.189 -5.837 1.00 35.23 C ATOM 0 H LEU A 22 6.027 0.727 -7.679 1.00 74.32 H new ATOM 0 HA LEU A 22 3.547 1.296 -6.247 1.00 1.05 H new ATOM 0 HB2 LEU A 22 5.649 2.503 -5.773 1.00 63.32 H new ATOM 0 HB3 LEU A 22 5.711 3.066 -7.432 1.00 63.32 H new ATOM 0 HG LEU A 22 3.642 4.361 -7.095 1.00 71.21 H new ATOM 0 HD11 LEU A 22 2.695 4.640 -4.837 1.00 43.04 H new ATOM 0 HD12 LEU A 22 2.556 2.962 -5.414 1.00 43.04 H new ATOM 0 HD13 LEU A 22 3.806 3.393 -4.223 1.00 43.04 H new ATOM 0 HD21 LEU A 22 4.578 6.065 -5.562 1.00 35.23 H new ATOM 0 HD22 LEU A 22 5.777 4.881 -4.989 1.00 35.23 H new ATOM 0 HD23 LEU A 22 5.810 5.435 -6.680 1.00 35.23 H new ATOM 360 N VAL A 23 2.071 1.560 -8.233 1.00 74.33 N ATOM 361 CA VAL A 23 1.171 1.756 -9.370 1.00 34.24 C ATOM 362 C VAL A 23 0.470 3.112 -9.304 1.00 61.01 C ATOM 363 O VAL A 23 0.148 3.706 -10.337 1.00 20.43 O ATOM 364 CB VAL A 23 0.114 0.623 -9.463 1.00 25.20 C ATOM 365 CG1 VAL A 23 0.795 -0.732 -9.651 1.00 75.10 C ATOM 366 CG2 VAL A 23 -0.794 0.607 -8.233 1.00 74.51 C ATOM 0 H VAL A 23 1.630 1.143 -7.413 1.00 74.33 H new ATOM 0 HA VAL A 23 1.790 1.728 -10.267 1.00 34.24 H new ATOM 0 HB VAL A 23 -0.512 0.819 -10.334 1.00 25.20 H new ATOM 0 HG11 VAL A 23 0.038 -1.514 -9.714 1.00 75.10 H new ATOM 0 HG12 VAL A 23 1.382 -0.720 -10.569 1.00 75.10 H new ATOM 0 HG13 VAL A 23 1.451 -0.930 -8.804 1.00 75.10 H new ATOM 0 HG21 VAL A 23 -1.523 -0.198 -8.329 1.00 74.51 H new ATOM 0 HG22 VAL A 23 -0.192 0.446 -7.339 1.00 74.51 H new ATOM 0 HG23 VAL A 23 -1.315 1.561 -8.153 1.00 74.51 H new ATOM 376 N HIS A 24 0.241 3.608 -8.091 1.00 62.32 N ATOM 377 CA HIS A 24 -0.442 4.888 -7.898 1.00 30.20 C ATOM 378 C HIS A 24 0.130 5.611 -6.683 1.00 51.13 C ATOM 379 O HIS A 24 0.294 5.009 -5.621 1.00 52.12 O ATOM 380 CB HIS A 24 -1.954 4.657 -7.724 1.00 31.31 C ATOM 381 CG HIS A 24 -2.766 5.921 -7.650 1.00 71.32 C ATOM 382 ND1 HIS A 24 -3.151 6.635 -8.763 1.00 73.13 N ATOM 383 CD2 HIS A 24 -3.284 6.584 -6.587 1.00 25.14 C ATOM 384 CE1 HIS A 24 -3.863 7.681 -8.390 1.00 3.35 C ATOM 385 NE2 HIS A 24 -3.964 7.675 -7.076 1.00 51.14 N ATOM 0 H HIS A 24 0.518 3.144 -7.226 1.00 62.32 H new ATOM 0 HA HIS A 24 -0.283 5.511 -8.778 1.00 30.20 H new ATOM 0 HB2 HIS A 24 -2.316 4.054 -8.557 1.00 31.31 H new ATOM 0 HB3 HIS A 24 -2.120 4.078 -6.815 1.00 31.31 H new ATOM 0 HD1 HIS A 24 -2.921 6.393 -9.727 1.00 73.13 H new ATOM 0 HD2 HIS A 24 -3.182 6.307 -5.548 1.00 25.14 H new ATOM 0 HE1 HIS A 24 -4.292 8.419 -9.051 1.00 3.35 H new ATOM 394 N ASN A 25 0.416 6.901 -6.844 1.00 4.34 N ATOM 395 CA ASN A 25 0.997 7.714 -5.775 1.00 64.31 C ATOM 396 C ASN A 25 0.369 9.104 -5.788 1.00 50.51 C ATOM 397 O ASN A 25 0.743 9.956 -6.591 1.00 52.52 O ATOM 398 CB ASN A 25 2.520 7.806 -5.952 1.00 3.21 C ATOM 399 CG ASN A 25 3.205 8.617 -4.863 1.00 21.33 C ATOM 400 OD1 ASN A 25 2.727 8.702 -3.729 1.00 23.01 O ATOM 401 ND2 ASN A 25 4.337 9.211 -5.202 1.00 21.15 N ATOM 0 H ASN A 25 0.253 7.411 -7.712 1.00 4.34 H new ATOM 0 HA ASN A 25 0.791 7.246 -4.812 1.00 64.31 H new ATOM 0 HB2 ASN A 25 2.939 6.800 -5.964 1.00 3.21 H new ATOM 0 HB3 ASN A 25 2.740 8.254 -6.921 1.00 3.21 H new ATOM 0 HD21 ASN A 25 4.848 9.764 -4.514 1.00 21.15 H new ATOM 0 HD22 ASN A 25 4.699 9.116 -6.151 1.00 21.15 H new ATOM 408 N PHE A 26 -0.592 9.315 -4.899 1.00 50.30 N ATOM 409 CA PHE A 26 -1.382 10.540 -4.874 1.00 1.51 C ATOM 410 C PHE A 26 -0.715 11.585 -3.977 1.00 3.34 C ATOM 411 O PHE A 26 -0.557 11.362 -2.774 1.00 14.13 O ATOM 412 CB PHE A 26 -2.795 10.208 -4.376 1.00 63.51 C ATOM 413 CG PHE A 26 -3.809 11.315 -4.539 1.00 21.13 C ATOM 414 CD1 PHE A 26 -4.316 11.629 -5.793 1.00 1.30 C ATOM 415 CD2 PHE A 26 -4.271 12.030 -3.440 1.00 44.22 C ATOM 416 CE1 PHE A 26 -5.256 12.630 -5.948 1.00 11.44 C ATOM 417 CE2 PHE A 26 -5.212 13.032 -3.591 1.00 22.50 C ATOM 418 CZ PHE A 26 -5.703 13.331 -4.845 1.00 62.31 C ATOM 0 H PHE A 26 -0.846 8.643 -4.175 1.00 50.30 H new ATOM 0 HA PHE A 26 -1.446 10.960 -5.878 1.00 1.51 H new ATOM 0 HB2 PHE A 26 -3.153 9.327 -4.909 1.00 63.51 H new ATOM 0 HB3 PHE A 26 -2.738 9.941 -3.321 1.00 63.51 H new ATOM 0 HD1 PHE A 26 -3.971 11.084 -6.659 1.00 1.30 H new ATOM 0 HD2 PHE A 26 -3.890 11.800 -2.456 1.00 44.22 H new ATOM 0 HE1 PHE A 26 -5.640 12.864 -6.930 1.00 11.44 H new ATOM 0 HE2 PHE A 26 -5.562 13.580 -2.728 1.00 22.50 H new ATOM 0 HZ PHE A 26 -6.437 14.114 -4.964 1.00 62.31 H new ATOM 428 N LYS A 27 -0.302 12.704 -4.579 1.00 12.41 N ATOM 429 CA LYS A 27 0.333 13.811 -3.855 1.00 34.15 C ATOM 430 C LYS A 27 1.590 13.345 -3.117 1.00 43.51 C ATOM 431 O LYS A 27 1.923 13.859 -2.043 1.00 5.12 O ATOM 432 CB LYS A 27 -0.663 14.481 -2.882 1.00 11.11 C ATOM 433 CG LYS A 27 -1.601 15.493 -3.545 1.00 63.23 C ATOM 434 CD LYS A 27 -2.393 14.879 -4.696 1.00 31.14 C ATOM 435 CE LYS A 27 -3.337 15.882 -5.347 1.00 52.11 C ATOM 436 NZ LYS A 27 -2.610 17.041 -5.930 1.00 13.52 N ATOM 0 H LYS A 27 -0.398 12.869 -5.581 1.00 12.41 H new ATOM 0 HA LYS A 27 0.638 14.555 -4.591 1.00 34.15 H new ATOM 0 HB2 LYS A 27 -1.262 13.707 -2.402 1.00 11.11 H new ATOM 0 HB3 LYS A 27 -0.102 14.984 -2.094 1.00 11.11 H new ATOM 0 HG2 LYS A 27 -2.293 15.887 -2.800 1.00 63.23 H new ATOM 0 HG3 LYS A 27 -1.019 16.336 -3.916 1.00 63.23 H new ATOM 0 HD2 LYS A 27 -1.701 14.495 -5.446 1.00 31.14 H new ATOM 0 HD3 LYS A 27 -2.967 14.029 -4.327 1.00 31.14 H new ATOM 0 HE2 LYS A 27 -3.910 15.384 -6.129 1.00 52.11 H new ATOM 0 HE3 LYS A 27 -4.052 16.239 -4.606 1.00 52.11 H new ATOM 0 HZ1 LYS A 27 -3.265 17.608 -6.505 1.00 13.52 H new ATOM 0 HZ2 LYS A 27 -2.224 17.629 -5.164 1.00 13.52 H new ATOM 0 HZ3 LYS A 27 -1.832 16.697 -6.529 1.00 13.52 H new ATOM 450 N ASP A 28 2.292 12.377 -3.715 1.00 42.24 N ATOM 451 CA ASP A 28 3.547 11.859 -3.160 1.00 34.40 C ATOM 452 C ASP A 28 3.333 11.304 -1.755 1.00 1.42 C ATOM 453 O ASP A 28 4.246 11.317 -0.925 1.00 10.51 O ATOM 454 CB ASP A 28 4.632 12.950 -3.143 1.00 31.23 C ATOM 455 CG ASP A 28 5.207 13.234 -4.520 1.00 50.30 C ATOM 456 OD1 ASP A 28 4.541 13.924 -5.325 1.00 73.02 O ATOM 457 OD2 ASP A 28 6.337 12.770 -4.803 1.00 62.15 O ATOM 0 H ASP A 28 2.010 11.934 -4.589 1.00 42.24 H new ATOM 0 HA ASP A 28 3.885 11.047 -3.804 1.00 34.40 H new ATOM 0 HB2 ASP A 28 4.210 13.868 -2.735 1.00 31.23 H new ATOM 0 HB3 ASP A 28 5.437 12.644 -2.475 1.00 31.23 H new ATOM 462 N GLY A 29 2.133 10.788 -1.515 1.00 20.40 N ATOM 463 CA GLY A 29 1.793 10.231 -0.218 1.00 44.11 C ATOM 464 C GLY A 29 2.636 9.019 0.137 1.00 32.15 C ATOM 465 O GLY A 29 2.660 8.586 1.291 1.00 23.43 O ATOM 0 H GLY A 29 1.382 10.745 -2.204 1.00 20.40 H new ATOM 0 HA2 GLY A 29 1.923 10.996 0.547 1.00 44.11 H new ATOM 0 HA3 GLY A 29 0.740 9.951 -0.212 1.00 44.11 H new ATOM 469 N PHE A 30 3.318 8.463 -0.863 1.00 44.22 N ATOM 470 CA PHE A 30 4.189 7.316 -0.653 1.00 33.43 C ATOM 471 C PHE A 30 5.409 7.701 0.183 1.00 54.43 C ATOM 472 O PHE A 30 6.258 8.482 -0.256 1.00 51.21 O ATOM 473 CB PHE A 30 4.647 6.714 -1.992 1.00 74.14 C ATOM 474 CG PHE A 30 5.589 5.548 -1.821 1.00 74.24 C ATOM 475 CD1 PHE A 30 5.128 4.329 -1.340 1.00 35.44 C ATOM 476 CD2 PHE A 30 6.938 5.676 -2.117 1.00 41.24 C ATOM 477 CE1 PHE A 30 5.991 3.266 -1.166 1.00 24.02 C ATOM 478 CE2 PHE A 30 7.804 4.618 -1.939 1.00 13.20 C ATOM 479 CZ PHE A 30 7.330 3.411 -1.464 1.00 1.30 C ATOM 0 H PHE A 30 3.282 8.792 -1.828 1.00 44.22 H new ATOM 0 HA PHE A 30 3.613 6.566 -0.112 1.00 33.43 H new ATOM 0 HB2 PHE A 30 3.773 6.388 -2.556 1.00 74.14 H new ATOM 0 HB3 PHE A 30 5.138 7.487 -2.583 1.00 74.14 H new ATOM 0 HD1 PHE A 30 4.082 4.212 -1.099 1.00 35.44 H new ATOM 0 HD2 PHE A 30 7.315 6.616 -2.492 1.00 41.24 H new ATOM 0 HE1 PHE A 30 5.618 2.322 -0.797 1.00 24.02 H new ATOM 0 HE2 PHE A 30 8.853 4.733 -2.171 1.00 13.20 H new ATOM 0 HZ PHE A 30 8.007 2.581 -1.326 1.00 1.30 H new ATOM 489 N ASN A 31 5.475 7.158 1.392 1.00 14.31 N ATOM 490 CA ASN A 31 6.648 7.292 2.250 1.00 3.44 C ATOM 491 C ASN A 31 7.136 5.909 2.656 1.00 1.45 C ATOM 492 O ASN A 31 6.511 5.244 3.488 1.00 10.54 O ATOM 493 CB ASN A 31 6.333 8.136 3.499 1.00 53.55 C ATOM 494 CG ASN A 31 6.257 9.622 3.197 1.00 45.50 C ATOM 495 OD1 ASN A 31 5.189 10.156 2.900 1.00 22.20 O ATOM 496 ND2 ASN A 31 7.395 10.303 3.261 1.00 14.21 N ATOM 0 H ASN A 31 4.719 6.613 1.806 1.00 14.31 H new ATOM 0 HA ASN A 31 7.430 7.807 1.692 1.00 3.44 H new ATOM 0 HB2 ASN A 31 5.385 7.807 3.925 1.00 53.55 H new ATOM 0 HB3 ASN A 31 7.100 7.961 4.254 1.00 53.55 H new ATOM 0 HD21 ASN A 31 7.403 11.303 3.060 1.00 14.21 H new ATOM 0 HD22 ASN A 31 8.261 9.826 3.511 1.00 14.21 H new ATOM 503 N GLU A 32 8.240 5.472 2.055 1.00 73.44 N ATOM 504 CA GLU A 32 8.780 4.137 2.296 1.00 63.00 C ATOM 505 C GLU A 32 9.088 3.935 3.780 1.00 1.44 C ATOM 506 O GLU A 32 8.877 2.851 4.318 1.00 30.24 O ATOM 507 CB GLU A 32 10.044 3.906 1.457 1.00 10.14 C ATOM 508 CG GLU A 32 10.574 2.475 1.522 1.00 23.42 C ATOM 509 CD GLU A 32 11.859 2.280 0.730 1.00 70.52 C ATOM 510 OE1 GLU A 32 11.786 1.987 -0.481 1.00 62.42 O ATOM 511 OE2 GLU A 32 12.950 2.412 1.324 1.00 11.24 O ATOM 0 H GLU A 32 8.781 6.028 1.393 1.00 73.44 H new ATOM 0 HA GLU A 32 8.025 3.409 1.998 1.00 63.00 H new ATOM 0 HB2 GLU A 32 9.830 4.158 0.418 1.00 10.14 H new ATOM 0 HB3 GLU A 32 10.824 4.588 1.796 1.00 10.14 H new ATOM 0 HG2 GLU A 32 10.751 2.206 2.563 1.00 23.42 H new ATOM 0 HG3 GLU A 32 9.813 1.794 1.142 1.00 23.42 H new ATOM 518 N GLU A 33 9.568 4.991 4.433 1.00 62.52 N ATOM 519 CA GLU A 33 9.892 4.947 5.860 1.00 51.21 C ATOM 520 C GLU A 33 8.680 4.515 6.693 1.00 55.14 C ATOM 521 O GLU A 33 8.791 3.654 7.570 1.00 54.01 O ATOM 522 CB GLU A 33 10.390 6.320 6.348 1.00 63.11 C ATOM 523 CG GLU A 33 9.389 7.460 6.137 1.00 71.54 C ATOM 524 CD GLU A 33 9.655 8.283 4.886 1.00 4.24 C ATOM 525 OE1 GLU A 33 9.556 7.730 3.774 1.00 34.13 O ATOM 526 OE2 GLU A 33 9.934 9.492 5.007 1.00 61.35 O ATOM 0 H GLU A 33 9.743 5.895 3.994 1.00 62.52 H new ATOM 0 HA GLU A 33 10.685 4.210 5.992 1.00 51.21 H new ATOM 0 HB2 GLU A 33 10.628 6.252 7.410 1.00 63.11 H new ATOM 0 HB3 GLU A 33 11.317 6.564 5.829 1.00 63.11 H new ATOM 0 HG2 GLU A 33 8.384 7.043 6.080 1.00 71.54 H new ATOM 0 HG3 GLU A 33 9.412 8.118 7.006 1.00 71.54 H new ATOM 533 N ALA A 34 7.522 5.112 6.404 1.00 53.02 N ATOM 534 CA ALA A 34 6.300 4.837 7.148 1.00 73.11 C ATOM 535 C ALA A 34 5.703 3.529 6.672 1.00 52.20 C ATOM 536 O ALA A 34 5.066 2.797 7.433 1.00 23.23 O ATOM 537 CB ALA A 34 5.302 5.981 6.979 1.00 75.13 C ATOM 0 H ALA A 34 7.409 5.793 5.653 1.00 53.02 H new ATOM 0 HA ALA A 34 6.537 4.753 8.209 1.00 73.11 H new ATOM 0 HB1 ALA A 34 4.395 5.759 7.541 1.00 75.13 H new ATOM 0 HB2 ALA A 34 5.742 6.906 7.351 1.00 75.13 H new ATOM 0 HB3 ALA A 34 5.055 6.096 5.923 1.00 75.13 H new ATOM 543 N PHE A 35 5.940 3.239 5.400 1.00 44.34 N ATOM 544 CA PHE A 35 5.455 2.009 4.779 1.00 31.12 C ATOM 545 C PHE A 35 6.066 0.796 5.473 1.00 61.51 C ATOM 546 O PHE A 35 5.357 -0.030 6.042 1.00 13.40 O ATOM 547 CB PHE A 35 5.796 1.990 3.278 1.00 54.33 C ATOM 548 CG PHE A 35 5.565 0.651 2.611 1.00 23.53 C ATOM 549 CD1 PHE A 35 4.288 0.249 2.245 1.00 51.40 C ATOM 550 CD2 PHE A 35 6.629 -0.211 2.361 1.00 42.03 C ATOM 551 CE1 PHE A 35 4.077 -0.982 1.649 1.00 25.55 C ATOM 552 CE2 PHE A 35 6.420 -1.438 1.763 1.00 52.45 C ATOM 553 CZ PHE A 35 5.144 -1.825 1.406 1.00 24.10 C ATOM 0 H PHE A 35 6.470 3.843 4.772 1.00 44.34 H new ATOM 0 HA PHE A 35 4.371 1.970 4.887 1.00 31.12 H new ATOM 0 HB2 PHE A 35 5.197 2.746 2.770 1.00 54.33 H new ATOM 0 HB3 PHE A 35 6.841 2.273 3.150 1.00 54.33 H new ATOM 0 HD1 PHE A 35 3.449 0.904 2.427 1.00 51.40 H new ATOM 0 HD2 PHE A 35 7.630 0.084 2.638 1.00 42.03 H new ATOM 0 HE1 PHE A 35 3.077 -1.284 1.374 1.00 25.55 H new ATOM 0 HE2 PHE A 35 7.256 -2.096 1.574 1.00 52.45 H new ATOM 0 HZ PHE A 35 4.980 -2.784 0.938 1.00 24.10 H new ATOM 563 N LYS A 36 7.393 0.721 5.445 1.00 14.22 N ATOM 564 CA LYS A 36 8.122 -0.414 6.003 1.00 24.31 C ATOM 565 C LYS A 36 7.912 -0.516 7.513 1.00 53.44 C ATOM 566 O LYS A 36 8.127 -1.572 8.109 1.00 23.15 O ATOM 567 CB LYS A 36 9.618 -0.294 5.670 1.00 43.33 C ATOM 568 CG LYS A 36 10.285 0.964 6.222 1.00 2.14 C ATOM 569 CD LYS A 36 11.678 1.174 5.627 1.00 12.54 C ATOM 570 CE LYS A 36 12.628 0.029 5.972 1.00 54.13 C ATOM 571 NZ LYS A 36 13.947 0.181 5.306 1.00 1.31 N ATOM 0 H LYS A 36 7.991 1.440 5.038 1.00 14.22 H new ATOM 0 HA LYS A 36 7.733 -1.327 5.552 1.00 24.31 H new ATOM 0 HB2 LYS A 36 10.137 -1.168 6.062 1.00 43.33 H new ATOM 0 HB3 LYS A 36 9.740 -0.310 4.587 1.00 43.33 H new ATOM 0 HG2 LYS A 36 9.662 1.831 6.004 1.00 2.14 H new ATOM 0 HG3 LYS A 36 10.360 0.890 7.307 1.00 2.14 H new ATOM 0 HD2 LYS A 36 11.599 1.265 4.544 1.00 12.54 H new ATOM 0 HD3 LYS A 36 12.092 2.112 5.997 1.00 12.54 H new ATOM 0 HE2 LYS A 36 12.770 -0.012 7.052 1.00 54.13 H new ATOM 0 HE3 LYS A 36 12.178 -0.918 5.674 1.00 54.13 H new ATOM 0 HZ1 LYS A 36 14.561 -0.617 5.567 1.00 1.31 H new ATOM 0 HZ2 LYS A 36 13.816 0.194 4.274 1.00 1.31 H new ATOM 0 HZ3 LYS A 36 14.389 1.072 5.610 1.00 1.31 H new ATOM 585 N ALA A 37 7.491 0.589 8.123 1.00 32.02 N ATOM 586 CA ALA A 37 7.232 0.626 9.556 1.00 52.21 C ATOM 587 C ALA A 37 5.877 -0.001 9.872 1.00 52.54 C ATOM 588 O ALA A 37 5.760 -0.843 10.763 1.00 41.24 O ATOM 589 CB ALA A 37 7.287 2.064 10.063 1.00 52.03 C ATOM 0 H ALA A 37 7.322 1.473 7.643 1.00 32.02 H new ATOM 0 HA ALA A 37 8.003 0.047 10.064 1.00 52.21 H new ATOM 0 HB1 ALA A 37 7.092 2.079 11.135 1.00 52.03 H new ATOM 0 HB2 ALA A 37 8.275 2.481 9.868 1.00 52.03 H new ATOM 0 HB3 ALA A 37 6.533 2.660 9.549 1.00 52.03 H new ATOM 595 N ARG A 38 4.860 0.396 9.113 1.00 23.31 N ATOM 596 CA ARG A 38 3.488 -0.051 9.352 1.00 33.43 C ATOM 597 C ARG A 38 3.186 -1.346 8.596 1.00 14.44 C ATOM 598 O ARG A 38 2.093 -1.905 8.728 1.00 14.31 O ATOM 599 CB ARG A 38 2.502 1.047 8.925 1.00 1.20 C ATOM 600 CG ARG A 38 2.665 2.372 9.676 1.00 34.21 C ATOM 601 CD ARG A 38 1.933 2.392 11.020 1.00 44.23 C ATOM 602 NE ARG A 38 2.457 1.421 11.986 1.00 65.31 N ATOM 603 CZ ARG A 38 2.294 1.525 13.308 1.00 55.21 C ATOM 604 NH1 ARG A 38 1.642 2.558 13.826 1.00 23.53 N ATOM 605 NH2 ARG A 38 2.781 0.595 14.111 1.00 1.41 N ATOM 0 H ARG A 38 4.960 1.031 8.321 1.00 23.31 H new ATOM 0 HA ARG A 38 3.375 -0.249 10.418 1.00 33.43 H new ATOM 0 HB2 ARG A 38 2.623 1.231 7.858 1.00 1.20 H new ATOM 0 HB3 ARG A 38 1.485 0.683 9.073 1.00 1.20 H new ATOM 0 HG2 ARG A 38 3.725 2.560 9.843 1.00 34.21 H new ATOM 0 HG3 ARG A 38 2.291 3.185 9.053 1.00 34.21 H new ATOM 0 HD2 ARG A 38 2.003 3.392 11.448 1.00 44.23 H new ATOM 0 HD3 ARG A 38 0.875 2.190 10.852 1.00 44.23 H new ATOM 0 HE ARG A 38 2.976 0.619 11.628 1.00 65.31 H new ATOM 0 HH11 ARG A 38 1.261 3.280 13.214 1.00 23.53 H new ATOM 0 HH12 ARG A 38 1.522 2.630 14.836 1.00 23.53 H new ATOM 0 HH21 ARG A 38 3.282 -0.204 13.722 1.00 1.41 H new ATOM 0 HH22 ARG A 38 2.656 0.676 15.120 1.00 1.41 H new ATOM 619 N TYR A 39 4.145 -1.812 7.801 1.00 73.12 N ATOM 620 CA TYR A 39 3.960 -3.017 6.998 1.00 41.03 C ATOM 621 C TYR A 39 3.974 -4.271 7.868 1.00 31.30 C ATOM 622 O TYR A 39 4.771 -4.389 8.804 1.00 72.01 O ATOM 623 CB TYR A 39 5.042 -3.123 5.911 1.00 34.23 C ATOM 624 CG TYR A 39 4.880 -4.336 5.010 1.00 42.33 C ATOM 625 CD1 TYR A 39 3.910 -4.360 4.012 1.00 54.32 C ATOM 626 CD2 TYR A 39 5.687 -5.461 5.166 1.00 23.31 C ATOM 627 CE1 TYR A 39 3.752 -5.467 3.196 1.00 3.15 C ATOM 628 CE2 TYR A 39 5.531 -6.571 4.357 1.00 40.43 C ATOM 629 CZ TYR A 39 4.564 -6.568 3.372 1.00 33.41 C ATOM 630 OH TYR A 39 4.403 -7.675 2.569 1.00 61.54 O ATOM 0 H TYR A 39 5.060 -1.373 7.696 1.00 73.12 H new ATOM 0 HA TYR A 39 2.984 -2.941 6.518 1.00 41.03 H new ATOM 0 HB2 TYR A 39 5.021 -2.221 5.300 1.00 34.23 H new ATOM 0 HB3 TYR A 39 6.022 -3.162 6.387 1.00 34.23 H new ATOM 0 HD1 TYR A 39 3.270 -3.501 3.872 1.00 54.32 H new ATOM 0 HD2 TYR A 39 6.448 -5.466 5.932 1.00 23.31 H new ATOM 0 HE1 TYR A 39 2.996 -5.469 2.425 1.00 3.15 H new ATOM 0 HE2 TYR A 39 6.163 -7.436 4.495 1.00 40.43 H new ATOM 0 HH TYR A 39 5.055 -8.361 2.823 1.00 61.54 H new ATOM 640 N SER A 40 3.089 -5.204 7.542 1.00 20.03 N ATOM 641 CA SER A 40 3.020 -6.490 8.216 1.00 22.33 C ATOM 642 C SER A 40 2.903 -7.607 7.179 1.00 41.22 C ATOM 643 O SER A 40 2.207 -7.456 6.173 1.00 45.40 O ATOM 644 CB SER A 40 1.824 -6.517 9.175 1.00 25.21 C ATOM 645 OG SER A 40 1.897 -5.450 10.105 1.00 22.52 O ATOM 0 H SER A 40 2.398 -5.088 6.801 1.00 20.03 H new ATOM 0 HA SER A 40 3.930 -6.643 8.797 1.00 22.33 H new ATOM 0 HB2 SER A 40 0.896 -6.447 8.607 1.00 25.21 H new ATOM 0 HB3 SER A 40 1.801 -7.468 9.707 1.00 25.21 H new ATOM 0 HG SER A 40 1.123 -5.486 10.706 1.00 22.52 H new ATOM 651 N ASP A 41 3.595 -8.714 7.422 1.00 54.43 N ATOM 652 CA ASP A 41 3.615 -9.853 6.502 1.00 22.23 C ATOM 653 C ASP A 41 2.203 -10.367 6.225 1.00 24.13 C ATOM 654 O ASP A 41 1.905 -10.839 5.126 1.00 62.24 O ATOM 655 CB ASP A 41 4.473 -10.989 7.076 1.00 1.11 C ATOM 656 CG ASP A 41 3.870 -11.598 8.338 1.00 11.45 C ATOM 657 OD1 ASP A 41 3.974 -10.969 9.416 1.00 51.04 O ATOM 658 OD2 ASP A 41 3.283 -12.693 8.256 1.00 10.52 O ATOM 0 H ASP A 41 4.159 -8.851 8.261 1.00 54.43 H new ATOM 0 HA ASP A 41 4.049 -9.511 5.562 1.00 22.23 H new ATOM 0 HB2 ASP A 41 4.591 -11.767 6.322 1.00 1.11 H new ATOM 0 HB3 ASP A 41 5.470 -10.609 7.301 1.00 1.11 H new ATOM 663 N ILE A 42 1.336 -10.255 7.226 1.00 34.53 N ATOM 664 CA ILE A 42 -0.043 -10.731 7.121 1.00 60.55 C ATOM 665 C ILE A 42 -0.784 -10.041 5.968 1.00 14.34 C ATOM 666 O ILE A 42 -1.725 -10.596 5.395 1.00 62.23 O ATOM 667 CB ILE A 42 -0.808 -10.509 8.455 1.00 55.11 C ATOM 668 CG1 ILE A 42 -2.213 -11.131 8.399 1.00 0.42 C ATOM 669 CG2 ILE A 42 -0.888 -9.022 8.793 1.00 74.42 C ATOM 670 CD1 ILE A 42 -2.207 -12.632 8.187 1.00 22.32 C ATOM 0 H ILE A 42 1.565 -9.835 8.127 1.00 34.53 H new ATOM 0 HA ILE A 42 -0.005 -11.800 6.913 1.00 60.55 H new ATOM 0 HB ILE A 42 -0.251 -11.010 9.247 1.00 55.11 H new ATOM 0 HG12 ILE A 42 -2.737 -10.906 9.328 1.00 0.42 H new ATOM 0 HG13 ILE A 42 -2.777 -10.661 7.593 1.00 0.42 H new ATOM 0 HG21 ILE A 42 -1.428 -8.891 9.731 1.00 74.42 H new ATOM 0 HG22 ILE A 42 0.119 -8.617 8.894 1.00 74.42 H new ATOM 0 HG23 ILE A 42 -1.412 -8.495 7.996 1.00 74.42 H new ATOM 0 HD11 ILE A 42 -3.233 -13.000 8.158 1.00 22.32 H new ATOM 0 HD12 ILE A 42 -1.712 -12.864 7.244 1.00 22.32 H new ATOM 0 HD13 ILE A 42 -1.672 -13.113 9.006 1.00 22.32 H new ATOM 682 N LEU A 43 -0.327 -8.845 5.606 1.00 1.30 N ATOM 683 CA LEU A 43 -0.976 -8.052 4.563 1.00 2.34 C ATOM 684 C LEU A 43 -0.726 -8.644 3.170 1.00 72.42 C ATOM 685 O LEU A 43 -1.385 -8.265 2.198 1.00 23.52 O ATOM 686 CB LEU A 43 -0.474 -6.602 4.615 1.00 43.42 C ATOM 687 CG LEU A 43 -0.725 -5.860 5.941 1.00 14.34 C ATOM 688 CD1 LEU A 43 -0.144 -4.447 5.888 1.00 32.31 C ATOM 689 CD2 LEU A 43 -2.218 -5.819 6.268 1.00 53.14 C ATOM 0 H LEU A 43 0.493 -8.402 6.020 1.00 1.30 H new ATOM 0 HA LEU A 43 -2.050 -8.071 4.748 1.00 2.34 H new ATOM 0 HB2 LEU A 43 0.597 -6.600 4.415 1.00 43.42 H new ATOM 0 HB3 LEU A 43 -0.950 -6.042 3.810 1.00 43.42 H new ATOM 0 HG LEU A 43 -0.219 -6.408 6.736 1.00 14.34 H new ATOM 0 HD11 LEU A 43 -0.332 -3.940 6.835 1.00 32.31 H new ATOM 0 HD12 LEU A 43 0.931 -4.502 5.713 1.00 32.31 H new ATOM 0 HD13 LEU A 43 -0.615 -3.890 5.078 1.00 32.31 H new ATOM 0 HD21 LEU A 43 -2.370 -5.290 7.209 1.00 53.14 H new ATOM 0 HD22 LEU A 43 -2.751 -5.301 5.470 1.00 53.14 H new ATOM 0 HD23 LEU A 43 -2.599 -6.836 6.358 1.00 53.14 H new ATOM 701 N ASN A 44 0.213 -9.581 3.078 1.00 31.53 N ATOM 702 CA ASN A 44 0.566 -10.200 1.797 1.00 65.42 C ATOM 703 C ASN A 44 -0.627 -10.948 1.195 1.00 61.34 C ATOM 704 O ASN A 44 -0.704 -11.130 -0.021 1.00 74.42 O ATOM 705 CB ASN A 44 1.756 -11.153 1.969 1.00 74.23 C ATOM 706 CG ASN A 44 2.187 -11.799 0.658 1.00 33.53 C ATOM 707 OD1 ASN A 44 3.000 -11.248 -0.084 1.00 32.45 O ATOM 708 ND2 ASN A 44 1.661 -12.980 0.370 1.00 75.44 N ATOM 0 H ASN A 44 0.746 -9.931 3.874 1.00 31.53 H new ATOM 0 HA ASN A 44 0.849 -9.403 1.109 1.00 65.42 H new ATOM 0 HB2 ASN A 44 2.597 -10.604 2.393 1.00 74.23 H new ATOM 0 HB3 ASN A 44 1.492 -11.932 2.684 1.00 74.23 H new ATOM 0 HD21 ASN A 44 1.927 -13.461 -0.489 1.00 75.44 H new ATOM 0 HD22 ASN A 44 0.990 -13.408 1.007 1.00 75.44 H new ATOM 715 N LYS A 45 -1.565 -11.369 2.048 1.00 14.23 N ATOM 716 CA LYS A 45 -2.745 -12.112 1.592 1.00 14.43 C ATOM 717 C LYS A 45 -3.555 -11.299 0.578 1.00 54.11 C ATOM 718 O LYS A 45 -4.254 -11.859 -0.267 1.00 54.44 O ATOM 719 CB LYS A 45 -3.649 -12.503 2.776 1.00 71.31 C ATOM 720 CG LYS A 45 -4.271 -11.310 3.505 1.00 1.52 C ATOM 721 CD LYS A 45 -5.419 -11.730 4.420 1.00 1.14 C ATOM 722 CE LYS A 45 -4.966 -12.691 5.512 1.00 71.52 C ATOM 723 NZ LYS A 45 -6.105 -13.129 6.359 1.00 62.22 N ATOM 0 H LYS A 45 -1.531 -11.209 3.055 1.00 14.23 H new ATOM 0 HA LYS A 45 -2.384 -13.020 1.108 1.00 14.43 H new ATOM 0 HB2 LYS A 45 -4.447 -13.150 2.412 1.00 71.31 H new ATOM 0 HB3 LYS A 45 -3.066 -13.087 3.488 1.00 71.31 H new ATOM 0 HG2 LYS A 45 -3.505 -10.806 4.094 1.00 1.52 H new ATOM 0 HG3 LYS A 45 -4.636 -10.589 2.774 1.00 1.52 H new ATOM 0 HD2 LYS A 45 -5.858 -10.844 4.878 1.00 1.14 H new ATOM 0 HD3 LYS A 45 -6.201 -12.202 3.825 1.00 1.14 H new ATOM 0 HE2 LYS A 45 -4.493 -13.562 5.058 1.00 71.52 H new ATOM 0 HE3 LYS A 45 -4.213 -12.207 6.135 1.00 71.52 H new ATOM 0 HZ1 LYS A 45 -5.762 -13.782 7.092 1.00 62.22 H new ATOM 0 HZ2 LYS A 45 -6.541 -12.300 6.811 1.00 62.22 H new ATOM 0 HZ3 LYS A 45 -6.811 -13.612 5.768 1.00 62.22 H new ATOM 737 N TYR A 46 -3.451 -9.978 0.667 1.00 14.22 N ATOM 738 CA TYR A 46 -4.231 -9.082 -0.181 1.00 62.32 C ATOM 739 C TYR A 46 -3.561 -8.898 -1.544 1.00 2.34 C ATOM 740 O TYR A 46 -4.241 -8.707 -2.554 1.00 54.31 O ATOM 741 CB TYR A 46 -4.398 -7.721 0.509 1.00 21.55 C ATOM 742 CG TYR A 46 -5.006 -7.800 1.902 1.00 74.34 C ATOM 743 CD1 TYR A 46 -6.358 -8.076 2.083 1.00 14.21 C ATOM 744 CD2 TYR A 46 -4.227 -7.586 3.034 1.00 42.43 C ATOM 745 CE1 TYR A 46 -6.910 -8.133 3.350 1.00 55.54 C ATOM 746 CE2 TYR A 46 -4.771 -7.644 4.301 1.00 44.53 C ATOM 747 CZ TYR A 46 -6.111 -7.919 4.454 1.00 12.13 C ATOM 748 OH TYR A 46 -6.656 -7.974 5.719 1.00 71.11 O ATOM 0 H TYR A 46 -2.831 -9.501 1.321 1.00 14.22 H new ATOM 0 HA TYR A 46 -5.213 -9.529 -0.340 1.00 62.32 H new ATOM 0 HB2 TYR A 46 -3.423 -7.238 0.577 1.00 21.55 H new ATOM 0 HB3 TYR A 46 -5.026 -7.085 -0.114 1.00 21.55 H new ATOM 0 HD1 TYR A 46 -6.986 -8.248 1.221 1.00 14.21 H new ATOM 0 HD2 TYR A 46 -3.175 -7.370 2.919 1.00 42.43 H new ATOM 0 HE1 TYR A 46 -7.962 -8.344 3.474 1.00 55.54 H new ATOM 0 HE2 TYR A 46 -4.149 -7.475 5.167 1.00 44.53 H new ATOM 0 HH TYR A 46 -5.957 -7.801 6.384 1.00 71.11 H new ATOM 758 N ASP A 47 -2.226 -8.976 -1.555 1.00 72.35 N ATOM 759 CA ASP A 47 -1.410 -8.742 -2.762 1.00 12.02 C ATOM 760 C ASP A 47 -1.416 -7.267 -3.173 1.00 21.33 C ATOM 761 O ASP A 47 -0.801 -6.890 -4.175 1.00 1.31 O ATOM 762 CB ASP A 47 -1.860 -9.620 -3.950 1.00 61.14 C ATOM 763 CG ASP A 47 -1.555 -11.099 -3.759 1.00 35.21 C ATOM 764 OD1 ASP A 47 -0.360 -11.465 -3.726 1.00 62.24 O ATOM 765 OD2 ASP A 47 -2.510 -11.906 -3.650 1.00 44.22 O ATOM 0 H ASP A 47 -1.675 -9.203 -0.727 1.00 72.35 H new ATOM 0 HA ASP A 47 -0.391 -9.026 -2.498 1.00 12.02 H new ATOM 0 HB2 ASP A 47 -2.932 -9.494 -4.099 1.00 61.14 H new ATOM 0 HB3 ASP A 47 -1.369 -9.270 -4.858 1.00 61.14 H new ATOM 770 N TYR A 48 -2.100 -6.433 -2.391 1.00 63.41 N ATOM 771 CA TYR A 48 -2.154 -4.994 -2.639 1.00 13.25 C ATOM 772 C TYR A 48 -2.109 -4.238 -1.318 1.00 31.21 C ATOM 773 O TYR A 48 -2.957 -4.452 -0.448 1.00 25.50 O ATOM 774 CB TYR A 48 -3.426 -4.619 -3.416 1.00 53.11 C ATOM 775 CG TYR A 48 -3.423 -5.091 -4.857 1.00 14.41 C ATOM 776 CD1 TYR A 48 -2.566 -4.518 -5.788 1.00 23.20 C ATOM 777 CD2 TYR A 48 -4.276 -6.103 -5.289 1.00 12.11 C ATOM 778 CE1 TYR A 48 -2.552 -4.937 -7.100 1.00 41.42 C ATOM 779 CE2 TYR A 48 -4.269 -6.527 -6.605 1.00 12.40 C ATOM 780 CZ TYR A 48 -3.402 -5.940 -7.506 1.00 2.43 C ATOM 781 OH TYR A 48 -3.383 -6.354 -8.818 1.00 2.42 O ATOM 0 H TYR A 48 -2.629 -6.734 -1.573 1.00 63.41 H new ATOM 0 HA TYR A 48 -1.290 -4.717 -3.243 1.00 13.25 H new ATOM 0 HB2 TYR A 48 -4.291 -5.044 -2.906 1.00 53.11 H new ATOM 0 HB3 TYR A 48 -3.546 -3.536 -3.398 1.00 53.11 H new ATOM 0 HD1 TYR A 48 -1.898 -3.729 -5.477 1.00 23.20 H new ATOM 0 HD2 TYR A 48 -4.953 -6.564 -4.585 1.00 12.11 H new ATOM 0 HE1 TYR A 48 -1.876 -4.480 -7.808 1.00 41.42 H new ATOM 0 HE2 TYR A 48 -4.937 -7.312 -6.926 1.00 12.40 H new ATOM 0 HH TYR A 48 -3.944 -5.758 -9.357 1.00 2.42 H new ATOM 791 N ILE A 49 -1.114 -3.367 -1.169 1.00 54.55 N ATOM 792 CA ILE A 49 -0.940 -2.583 0.052 1.00 21.03 C ATOM 793 C ILE A 49 -1.277 -1.123 -0.225 1.00 1.01 C ATOM 794 O ILE A 49 -0.732 -0.519 -1.150 1.00 3.40 O ATOM 795 CB ILE A 49 0.514 -2.670 0.592 1.00 73.21 C ATOM 796 CG1 ILE A 49 0.976 -4.137 0.685 1.00 1.05 C ATOM 797 CG2 ILE A 49 0.620 -1.983 1.956 1.00 34.22 C ATOM 798 CD1 ILE A 49 0.116 -5.001 1.584 1.00 35.30 C ATOM 0 H ILE A 49 -0.410 -3.185 -1.885 1.00 54.55 H new ATOM 0 HA ILE A 49 -1.611 -2.995 0.806 1.00 21.03 H new ATOM 0 HB ILE A 49 1.170 -2.152 -0.107 1.00 73.21 H new ATOM 0 HG12 ILE A 49 0.984 -4.568 -0.316 1.00 1.05 H new ATOM 0 HG13 ILE A 49 2.003 -4.161 1.050 1.00 1.05 H new ATOM 0 HG21 ILE A 49 1.645 -2.053 2.320 1.00 34.22 H new ATOM 0 HG22 ILE A 49 0.341 -0.934 1.858 1.00 34.22 H new ATOM 0 HG23 ILE A 49 -0.050 -2.472 2.663 1.00 34.22 H new ATOM 0 HD11 ILE A 49 0.508 -6.018 1.595 1.00 35.30 H new ATOM 0 HD12 ILE A 49 0.127 -4.597 2.596 1.00 35.30 H new ATOM 0 HD13 ILE A 49 -0.907 -5.011 1.209 1.00 35.30 H new ATOM 810 N VAL A 50 -2.187 -0.566 0.566 1.00 72.55 N ATOM 811 CA VAL A 50 -2.612 0.816 0.400 1.00 54.34 C ATOM 812 C VAL A 50 -2.415 1.594 1.694 1.00 63.23 C ATOM 813 O VAL A 50 -2.909 1.193 2.747 1.00 32.21 O ATOM 814 CB VAL A 50 -4.100 0.906 -0.020 1.00 52.12 C ATOM 815 CG1 VAL A 50 -4.505 2.360 -0.273 1.00 3.33 C ATOM 816 CG2 VAL A 50 -4.373 0.040 -1.248 1.00 41.03 C ATOM 0 H VAL A 50 -2.647 -1.056 1.334 1.00 72.55 H new ATOM 0 HA VAL A 50 -1.998 1.249 -0.389 1.00 54.34 H new ATOM 0 HB VAL A 50 -4.708 0.524 0.800 1.00 52.12 H new ATOM 0 HG11 VAL A 50 -5.554 2.400 -0.567 1.00 3.33 H new ATOM 0 HG12 VAL A 50 -4.361 2.942 0.638 1.00 3.33 H new ATOM 0 HG13 VAL A 50 -3.889 2.776 -1.070 1.00 3.33 H new ATOM 0 HG21 VAL A 50 -5.425 0.120 -1.523 1.00 41.03 H new ATOM 0 HG22 VAL A 50 -3.754 0.380 -2.078 1.00 41.03 H new ATOM 0 HG23 VAL A 50 -4.136 -0.999 -1.020 1.00 41.03 H new ATOM 826 N GLY A 51 -1.683 2.695 1.609 1.00 44.15 N ATOM 827 CA GLY A 51 -1.499 3.574 2.751 1.00 61.52 C ATOM 828 C GLY A 51 -2.100 4.938 2.489 1.00 12.03 C ATOM 829 O GLY A 51 -1.816 5.544 1.457 1.00 23.53 O ATOM 0 H GLY A 51 -1.207 3.000 0.760 1.00 44.15 H new ATOM 0 HA2 GLY A 51 -1.963 3.132 3.633 1.00 61.52 H new ATOM 0 HA3 GLY A 51 -0.436 3.677 2.967 1.00 61.52 H new ATOM 833 N ASP A 52 -2.927 5.416 3.414 1.00 43.42 N ATOM 834 CA ASP A 52 -3.650 6.678 3.234 1.00 72.02 C ATOM 835 C ASP A 52 -3.359 7.658 4.367 1.00 64.21 C ATOM 836 O ASP A 52 -3.133 7.256 5.511 1.00 71.21 O ATOM 837 CB ASP A 52 -5.162 6.414 3.136 1.00 61.45 C ATOM 838 CG ASP A 52 -5.987 7.692 3.222 1.00 53.13 C ATOM 839 OD1 ASP A 52 -5.817 8.580 2.354 1.00 11.11 O ATOM 840 OD2 ASP A 52 -6.791 7.824 4.169 1.00 40.04 O ATOM 0 H ASP A 52 -3.116 4.949 4.301 1.00 43.42 H new ATOM 0 HA ASP A 52 -3.303 7.131 2.305 1.00 72.02 H new ATOM 0 HB2 ASP A 52 -5.379 5.909 2.195 1.00 61.45 H new ATOM 0 HB3 ASP A 52 -5.462 5.738 3.937 1.00 61.45 H new ATOM 845 N TRP A 53 -3.361 8.947 4.028 1.00 15.44 N ATOM 846 CA TRP A 53 -3.134 10.019 4.996 1.00 43.13 C ATOM 847 C TRP A 53 -4.446 10.722 5.353 1.00 71.22 C ATOM 848 O TRP A 53 -4.481 11.556 6.258 1.00 51.42 O ATOM 849 CB TRP A 53 -2.124 11.040 4.446 1.00 42.04 C ATOM 850 CG TRP A 53 -0.722 10.506 4.334 1.00 14.54 C ATOM 851 CD1 TRP A 53 -0.144 9.919 3.244 1.00 31.21 C ATOM 852 CD2 TRP A 53 0.276 10.508 5.361 1.00 35.25 C ATOM 853 NE1 TRP A 53 1.150 9.564 3.529 1.00 45.41 N ATOM 854 CE2 TRP A 53 1.432 9.914 4.823 1.00 32.12 C ATOM 855 CE3 TRP A 53 0.305 10.957 6.685 1.00 32.03 C ATOM 856 CZ2 TRP A 53 2.604 9.756 5.558 1.00 51.42 C ATOM 857 CZ3 TRP A 53 1.467 10.801 7.415 1.00 24.14 C ATOM 858 CH2 TRP A 53 2.605 10.205 6.850 1.00 60.52 C ATOM 0 H TRP A 53 -3.520 9.277 3.076 1.00 15.44 H new ATOM 0 HA TRP A 53 -2.725 9.570 5.901 1.00 43.13 H new ATOM 0 HB2 TRP A 53 -2.456 11.372 3.462 1.00 42.04 H new ATOM 0 HB3 TRP A 53 -2.118 11.917 5.094 1.00 42.04 H new ATOM 0 HD1 TRP A 53 -0.635 9.758 2.296 1.00 31.21 H new ATOM 0 HE1 TRP A 53 1.797 9.113 2.882 1.00 45.41 H new ATOM 0 HE3 TRP A 53 -0.565 11.417 7.129 1.00 32.03 H new ATOM 0 HZ2 TRP A 53 3.480 9.296 5.124 1.00 51.42 H new ATOM 0 HZ3 TRP A 53 1.500 11.144 8.439 1.00 24.14 H new ATOM 0 HH2 TRP A 53 3.499 10.099 7.447 1.00 60.52 H new ATOM 869 N GLY A 54 -5.519 10.393 4.634 1.00 62.41 N ATOM 870 CA GLY A 54 -6.834 10.934 4.953 1.00 51.53 C ATOM 871 C GLY A 54 -7.338 10.411 6.285 1.00 10.11 C ATOM 872 O GLY A 54 -8.191 11.026 6.933 1.00 61.34 O ATOM 0 H GLY A 54 -5.502 9.760 3.834 1.00 62.41 H new ATOM 0 HA2 GLY A 54 -6.784 12.022 4.983 1.00 51.53 H new ATOM 0 HA3 GLY A 54 -7.539 10.669 4.165 1.00 51.53 H new ATOM 876 N TYR A 55 -6.814 9.254 6.682 1.00 52.55 N ATOM 877 CA TYR A 55 -7.064 8.691 8.006 1.00 71.02 C ATOM 878 C TYR A 55 -6.276 9.465 9.072 1.00 41.43 C ATOM 879 O TYR A 55 -6.462 9.266 10.273 1.00 54.22 O ATOM 880 CB TYR A 55 -6.672 7.204 8.020 1.00 74.31 C ATOM 881 CG TYR A 55 -6.884 6.518 9.360 1.00 54.31 C ATOM 882 CD1 TYR A 55 -8.158 6.169 9.788 1.00 24.03 C ATOM 883 CD2 TYR A 55 -5.812 6.237 10.201 1.00 0.14 C ATOM 884 CE1 TYR A 55 -8.358 5.558 11.007 1.00 13.00 C ATOM 885 CE2 TYR A 55 -6.007 5.629 11.426 1.00 13.24 C ATOM 886 CZ TYR A 55 -7.283 5.292 11.824 1.00 61.25 C ATOM 887 OH TYR A 55 -7.486 4.697 13.049 1.00 14.13 O ATOM 0 H TYR A 55 -6.206 8.682 6.097 1.00 52.55 H new ATOM 0 HA TYR A 55 -8.126 8.778 8.236 1.00 71.02 H new ATOM 0 HB2 TYR A 55 -7.251 6.680 7.260 1.00 74.31 H new ATOM 0 HB3 TYR A 55 -5.623 7.113 7.740 1.00 74.31 H new ATOM 0 HD1 TYR A 55 -9.007 6.380 9.155 1.00 24.03 H new ATOM 0 HD2 TYR A 55 -4.811 6.498 9.891 1.00 0.14 H new ATOM 0 HE1 TYR A 55 -9.356 5.289 11.320 1.00 13.00 H new ATOM 0 HE2 TYR A 55 -5.165 5.419 12.068 1.00 13.24 H new ATOM 0 HH TYR A 55 -8.277 4.120 13.006 1.00 14.13 H new ATOM 897 N GLY A 56 -5.389 10.346 8.622 1.00 40.22 N ATOM 898 CA GLY A 56 -4.568 11.123 9.531 1.00 3.10 C ATOM 899 C GLY A 56 -3.281 10.403 9.883 1.00 52.14 C ATOM 900 O GLY A 56 -2.187 10.944 9.713 1.00 64.05 O ATOM 0 H GLY A 56 -5.223 10.537 7.634 1.00 40.22 H new ATOM 0 HA2 GLY A 56 -4.333 12.085 9.076 1.00 3.10 H new ATOM 0 HA3 GLY A 56 -5.130 11.329 10.442 1.00 3.10 H new ATOM 904 N GLN A 57 -3.418 9.173 10.371 1.00 10.52 N ATOM 905 CA GLN A 57 -2.267 8.344 10.719 1.00 43.14 C ATOM 906 C GLN A 57 -1.989 7.354 9.594 1.00 72.54 C ATOM 907 O GLN A 57 -2.902 6.671 9.125 1.00 41.03 O ATOM 908 CB GLN A 57 -2.527 7.592 12.033 1.00 33.01 C ATOM 909 CG GLN A 57 -2.944 8.496 13.193 1.00 0.32 C ATOM 910 CD GLN A 57 -1.949 9.611 13.458 1.00 21.43 C ATOM 911 OE1 GLN A 57 -2.049 10.702 12.893 1.00 32.04 O ATOM 912 NE2 GLN A 57 -0.976 9.351 14.314 1.00 30.43 N ATOM 0 H GLN A 57 -4.320 8.726 10.535 1.00 10.52 H new ATOM 0 HA GLN A 57 -1.397 8.986 10.855 1.00 43.14 H new ATOM 0 HB2 GLN A 57 -3.307 6.849 11.866 1.00 33.01 H new ATOM 0 HB3 GLN A 57 -1.624 7.050 12.314 1.00 33.01 H new ATOM 0 HG2 GLN A 57 -3.920 8.930 12.976 1.00 0.32 H new ATOM 0 HG3 GLN A 57 -3.056 7.894 14.095 1.00 0.32 H new ATOM 0 HE21 GLN A 57 -0.923 8.437 14.764 1.00 30.43 H new ATOM 0 HE22 GLN A 57 -0.278 10.064 14.525 1.00 30.43 H new ATOM 921 N LEU A 58 -0.737 7.287 9.152 1.00 30.02 N ATOM 922 CA LEU A 58 -0.367 6.396 8.058 1.00 42.54 C ATOM 923 C LEU A 58 -0.540 4.940 8.490 1.00 62.40 C ATOM 924 O LEU A 58 0.277 4.397 9.234 1.00 73.41 O ATOM 925 CB LEU A 58 1.081 6.671 7.596 1.00 54.24 C ATOM 926 CG LEU A 58 1.502 6.051 6.240 1.00 12.52 C ATOM 927 CD1 LEU A 58 1.726 4.543 6.343 1.00 4.12 C ATOM 928 CD2 LEU A 58 0.465 6.364 5.160 1.00 52.01 C ATOM 0 H LEU A 58 0.034 7.836 9.532 1.00 30.02 H new ATOM 0 HA LEU A 58 -1.026 6.585 7.211 1.00 42.54 H new ATOM 0 HB2 LEU A 58 1.221 7.750 7.536 1.00 54.24 H new ATOM 0 HB3 LEU A 58 1.760 6.304 8.365 1.00 54.24 H new ATOM 0 HG LEU A 58 2.453 6.504 5.960 1.00 12.52 H new ATOM 0 HD11 LEU A 58 2.020 4.151 5.369 1.00 4.12 H new ATOM 0 HD12 LEU A 58 2.514 4.341 7.068 1.00 4.12 H new ATOM 0 HD13 LEU A 58 0.804 4.059 6.666 1.00 4.12 H new ATOM 0 HD21 LEU A 58 0.778 5.920 4.215 1.00 52.01 H new ATOM 0 HD22 LEU A 58 -0.501 5.951 5.452 1.00 52.01 H new ATOM 0 HD23 LEU A 58 0.377 7.444 5.042 1.00 52.01 H new ATOM 940 N ARG A 59 -1.624 4.325 8.038 1.00 74.02 N ATOM 941 CA ARG A 59 -1.892 2.920 8.310 1.00 14.34 C ATOM 942 C ARG A 59 -2.043 2.167 6.991 1.00 3.34 C ATOM 943 O ARG A 59 -2.688 2.659 6.063 1.00 64.35 O ATOM 944 CB ARG A 59 -3.159 2.773 9.166 1.00 15.31 C ATOM 945 CG ARG A 59 -3.528 1.328 9.489 1.00 72.03 C ATOM 946 CD ARG A 59 -4.756 1.253 10.389 1.00 62.34 C ATOM 947 NE ARG A 59 -4.514 1.862 11.704 1.00 65.21 N ATOM 948 CZ ARG A 59 -5.472 2.140 12.593 1.00 24.12 C ATOM 949 NH1 ARG A 59 -6.743 1.888 12.315 1.00 33.13 N ATOM 950 NH2 ARG A 59 -5.147 2.676 13.761 1.00 52.31 N ATOM 0 H ARG A 59 -2.340 4.784 7.475 1.00 74.02 H new ATOM 0 HA ARG A 59 -1.057 2.496 8.867 1.00 14.34 H new ATOM 0 HB2 ARG A 59 -3.019 3.318 10.099 1.00 15.31 H new ATOM 0 HB3 ARG A 59 -3.993 3.242 8.645 1.00 15.31 H new ATOM 0 HG2 ARG A 59 -3.720 0.785 8.564 1.00 72.03 H new ATOM 0 HG3 ARG A 59 -2.687 0.837 9.978 1.00 72.03 H new ATOM 0 HD2 ARG A 59 -5.592 1.758 9.904 1.00 62.34 H new ATOM 0 HD3 ARG A 59 -5.046 0.210 10.520 1.00 62.34 H new ATOM 0 HE ARG A 59 -3.551 2.087 11.955 1.00 65.21 H new ATOM 0 HH11 ARG A 59 -6.997 1.478 11.416 1.00 33.13 H new ATOM 0 HH12 ARG A 59 -7.467 2.104 13.000 1.00 33.13 H new ATOM 0 HH21 ARG A 59 -4.170 2.874 13.977 1.00 52.31 H new ATOM 0 HH22 ARG A 59 -5.874 2.890 14.444 1.00 52.31 H new ATOM 964 N LEU A 60 -1.438 0.984 6.909 1.00 13.52 N ATOM 965 CA LEU A 60 -1.482 0.182 5.691 1.00 62.21 C ATOM 966 C LEU A 60 -2.644 -0.803 5.727 1.00 12.14 C ATOM 967 O LEU A 60 -2.755 -1.618 6.642 1.00 40.54 O ATOM 968 CB LEU A 60 -0.163 -0.581 5.494 1.00 11.04 C ATOM 969 CG LEU A 60 1.085 0.293 5.294 1.00 32.14 C ATOM 970 CD1 LEU A 60 2.324 -0.571 5.090 1.00 11.31 C ATOM 971 CD2 LEU A 60 0.900 1.246 4.117 1.00 3.12 C ATOM 0 H LEU A 60 -0.911 0.560 7.673 1.00 13.52 H new ATOM 0 HA LEU A 60 -1.627 0.863 4.853 1.00 62.21 H new ATOM 0 HB2 LEU A 60 -0.001 -1.221 6.361 1.00 11.04 H new ATOM 0 HB3 LEU A 60 -0.268 -1.236 4.629 1.00 11.04 H new ATOM 0 HG LEU A 60 1.225 0.888 6.196 1.00 32.14 H new ATOM 0 HD11 LEU A 60 3.195 0.069 4.950 1.00 11.31 H new ATOM 0 HD12 LEU A 60 2.475 -1.203 5.965 1.00 11.31 H new ATOM 0 HD13 LEU A 60 2.189 -1.198 4.208 1.00 11.31 H new ATOM 0 HD21 LEU A 60 1.797 1.854 3.996 1.00 3.12 H new ATOM 0 HD22 LEU A 60 0.726 0.671 3.207 1.00 3.12 H new ATOM 0 HD23 LEU A 60 0.045 1.895 4.305 1.00 3.12 H new ATOM 983 N LYS A 61 -3.514 -0.696 4.735 1.00 31.33 N ATOM 984 CA LYS A 61 -4.598 -1.646 4.533 1.00 44.23 C ATOM 985 C LYS A 61 -4.309 -2.472 3.288 1.00 21.13 C ATOM 986 O LYS A 61 -3.343 -2.207 2.571 1.00 3.24 O ATOM 987 CB LYS A 61 -5.942 -0.910 4.389 1.00 11.23 C ATOM 988 CG LYS A 61 -6.589 -0.526 5.721 1.00 21.54 C ATOM 989 CD LYS A 61 -7.121 -1.750 6.469 1.00 31.35 C ATOM 990 CE LYS A 61 -8.216 -2.464 5.678 1.00 12.42 C ATOM 991 NZ LYS A 61 -8.775 -3.628 6.414 1.00 74.14 N ATOM 0 H LYS A 61 -3.489 0.054 4.045 1.00 31.33 H new ATOM 0 HA LYS A 61 -4.667 -2.305 5.399 1.00 44.23 H new ATOM 0 HB2 LYS A 61 -5.788 -0.007 3.798 1.00 11.23 H new ATOM 0 HB3 LYS A 61 -6.632 -1.542 3.831 1.00 11.23 H new ATOM 0 HG2 LYS A 61 -5.859 -0.009 6.344 1.00 21.54 H new ATOM 0 HG3 LYS A 61 -7.406 0.173 5.540 1.00 21.54 H new ATOM 0 HD2 LYS A 61 -6.302 -2.442 6.663 1.00 31.35 H new ATOM 0 HD3 LYS A 61 -7.514 -1.442 7.438 1.00 31.35 H new ATOM 0 HE2 LYS A 61 -9.017 -1.760 5.454 1.00 12.42 H new ATOM 0 HE3 LYS A 61 -7.811 -2.801 4.724 1.00 12.42 H new ATOM 0 HZ1 LYS A 61 -9.514 -4.080 5.839 1.00 74.14 H new ATOM 0 HZ2 LYS A 61 -8.017 -4.314 6.606 1.00 74.14 H new ATOM 0 HZ3 LYS A 61 -9.186 -3.305 7.313 1.00 74.14 H new ATOM 1005 N GLY A 62 -5.141 -3.466 3.037 1.00 72.15 N ATOM 1006 CA GLY A 62 -4.968 -4.300 1.870 1.00 70.21 C ATOM 1007 C GLY A 62 -6.290 -4.677 1.247 1.00 11.24 C ATOM 1008 O GLY A 62 -7.300 -4.781 1.944 1.00 74.33 O ATOM 0 H GLY A 62 -5.938 -3.712 3.624 1.00 72.15 H new ATOM 0 HA2 GLY A 62 -4.357 -3.775 1.136 1.00 70.21 H new ATOM 0 HA3 GLY A 62 -4.426 -5.204 2.147 1.00 70.21 H new ATOM 1012 N PHE A 63 -6.284 -4.868 -0.066 1.00 71.22 N ATOM 1013 CA PHE A 63 -7.484 -5.236 -0.808 1.00 45.23 C ATOM 1014 C PHE A 63 -7.154 -6.339 -1.805 1.00 41.31 C ATOM 1015 O PHE A 63 -5.984 -6.594 -2.087 1.00 1.52 O ATOM 1016 CB PHE A 63 -8.063 -4.009 -1.533 1.00 41.21 C ATOM 1017 CG PHE A 63 -8.503 -2.911 -0.592 1.00 52.32 C ATOM 1018 CD1 PHE A 63 -7.590 -1.985 -0.100 1.00 0.24 C ATOM 1019 CD2 PHE A 63 -9.828 -2.813 -0.189 1.00 71.34 C ATOM 1020 CE1 PHE A 63 -7.990 -0.991 0.770 1.00 21.12 C ATOM 1021 CE2 PHE A 63 -10.231 -1.819 0.681 1.00 53.04 C ATOM 1022 CZ PHE A 63 -9.313 -0.907 1.161 1.00 14.14 C ATOM 0 H PHE A 63 -5.450 -4.773 -0.646 1.00 71.22 H new ATOM 0 HA PHE A 63 -8.235 -5.605 -0.109 1.00 45.23 H new ATOM 0 HB2 PHE A 63 -7.313 -3.613 -2.217 1.00 41.21 H new ATOM 0 HB3 PHE A 63 -8.914 -4.321 -2.139 1.00 41.21 H new ATOM 0 HD1 PHE A 63 -6.555 -2.044 -0.402 1.00 0.24 H new ATOM 0 HD2 PHE A 63 -10.552 -3.523 -0.560 1.00 71.34 H new ATOM 0 HE1 PHE A 63 -7.270 -0.279 1.145 1.00 21.12 H new ATOM 0 HE2 PHE A 63 -11.265 -1.755 0.986 1.00 53.04 H new ATOM 0 HZ PHE A 63 -9.628 -0.129 1.841 1.00 14.14 H new ATOM 1032 N PHE A 64 -8.184 -6.983 -2.337 1.00 72.13 N ATOM 1033 CA PHE A 64 -8.001 -8.095 -3.264 1.00 63.40 C ATOM 1034 C PHE A 64 -8.263 -7.635 -4.693 1.00 51.34 C ATOM 1035 O PHE A 64 -8.732 -6.514 -4.916 1.00 45.21 O ATOM 1036 CB PHE A 64 -8.941 -9.254 -2.904 1.00 4.31 C ATOM 1037 CG PHE A 64 -8.733 -9.798 -1.512 1.00 21.25 C ATOM 1038 CD1 PHE A 64 -7.682 -10.665 -1.242 1.00 21.22 C ATOM 1039 CD2 PHE A 64 -9.581 -9.441 -0.473 1.00 5.44 C ATOM 1040 CE1 PHE A 64 -7.486 -11.164 0.031 1.00 74.11 C ATOM 1041 CE2 PHE A 64 -9.386 -9.938 0.802 1.00 44.52 C ATOM 1042 CZ PHE A 64 -8.339 -10.800 1.052 1.00 44.44 C ATOM 0 H PHE A 64 -9.159 -6.754 -2.142 1.00 72.13 H new ATOM 0 HA PHE A 64 -6.971 -8.445 -3.187 1.00 63.40 H new ATOM 0 HB2 PHE A 64 -9.973 -8.916 -3.001 1.00 4.31 H new ATOM 0 HB3 PHE A 64 -8.800 -10.060 -3.624 1.00 4.31 H new ATOM 0 HD1 PHE A 64 -7.010 -10.952 -2.037 1.00 21.22 H new ATOM 0 HD2 PHE A 64 -10.403 -8.767 -0.663 1.00 5.44 H new ATOM 0 HE1 PHE A 64 -6.666 -11.839 0.227 1.00 74.11 H new ATOM 0 HE2 PHE A 64 -10.053 -9.652 1.602 1.00 44.52 H new ATOM 0 HZ PHE A 64 -8.187 -11.190 2.048 1.00 44.44 H new ATOM 1052 N ASP A 65 -7.949 -8.499 -5.657 1.00 41.12 N ATOM 1053 CA ASP A 65 -8.129 -8.177 -7.068 1.00 70.43 C ATOM 1054 C ASP A 65 -9.591 -7.839 -7.365 1.00 35.42 C ATOM 1055 O ASP A 65 -10.469 -8.703 -7.335 1.00 74.10 O ATOM 1056 CB ASP A 65 -7.644 -9.331 -7.964 1.00 51.15 C ATOM 1057 CG ASP A 65 -8.324 -10.659 -7.659 1.00 1.14 C ATOM 1058 OD1 ASP A 65 -7.970 -11.289 -6.636 1.00 23.21 O ATOM 1059 OD2 ASP A 65 -9.212 -11.084 -8.431 1.00 44.42 O ATOM 0 H ASP A 65 -7.568 -9.429 -5.484 1.00 41.12 H new ATOM 0 HA ASP A 65 -7.523 -7.299 -7.292 1.00 70.43 H new ATOM 0 HB2 ASP A 65 -7.822 -9.071 -9.007 1.00 51.15 H new ATOM 0 HB3 ASP A 65 -6.567 -9.447 -7.844 1.00 51.15 H new ATOM 1064 N ASP A 66 -9.839 -6.558 -7.602 1.00 33.21 N ATOM 1065 CA ASP A 66 -11.155 -6.075 -8.010 1.00 72.53 C ATOM 1066 C ASP A 66 -11.299 -6.256 -9.514 1.00 70.14 C ATOM 1067 O ASP A 66 -12.285 -6.809 -10.004 1.00 33.12 O ATOM 1068 CB ASP A 66 -11.303 -4.599 -7.627 1.00 4.05 C ATOM 1069 CG ASP A 66 -12.653 -4.005 -7.988 1.00 35.21 C ATOM 1070 OD1 ASP A 66 -12.835 -3.588 -9.150 1.00 12.12 O ATOM 1071 OD2 ASP A 66 -13.523 -3.902 -7.096 1.00 45.43 O ATOM 0 H ASP A 66 -9.136 -5.824 -7.518 1.00 33.21 H new ATOM 0 HA ASP A 66 -11.937 -6.641 -7.504 1.00 72.53 H new ATOM 0 HB2 ASP A 66 -11.146 -4.494 -6.554 1.00 4.05 H new ATOM 0 HB3 ASP A 66 -10.520 -4.025 -8.122 1.00 4.05 H new ATOM 1076 N GLN A 67 -10.288 -5.781 -10.237 1.00 31.45 N ATOM 1077 CA GLN A 67 -10.165 -6.022 -11.667 1.00 53.42 C ATOM 1078 C GLN A 67 -9.309 -7.263 -11.890 1.00 64.44 C ATOM 1079 O GLN A 67 -8.092 -7.217 -11.730 1.00 12.44 O ATOM 1080 CB GLN A 67 -9.527 -4.814 -12.369 1.00 42.22 C ATOM 1081 CG GLN A 67 -10.365 -3.543 -12.310 1.00 13.42 C ATOM 1082 CD GLN A 67 -9.667 -2.351 -12.951 1.00 52.30 C ATOM 1083 OE1 GLN A 67 -8.436 -2.242 -12.921 1.00 64.14 O ATOM 1084 NE2 GLN A 67 -10.444 -1.454 -13.540 1.00 63.33 N ATOM 0 H GLN A 67 -9.532 -5.219 -9.846 1.00 31.45 H new ATOM 0 HA GLN A 67 -11.158 -6.175 -12.089 1.00 53.42 H new ATOM 0 HB2 GLN A 67 -8.555 -4.616 -11.916 1.00 42.22 H new ATOM 0 HB3 GLN A 67 -9.346 -5.069 -13.413 1.00 42.22 H new ATOM 0 HG2 GLN A 67 -11.316 -3.716 -12.813 1.00 13.42 H new ATOM 0 HG3 GLN A 67 -10.592 -3.310 -11.270 1.00 13.42 H new ATOM 0 HE21 GLN A 67 -11.456 -1.580 -13.543 1.00 63.33 H new ATOM 0 HE22 GLN A 67 -10.030 -0.638 -13.990 1.00 63.33 H new ATOM 1093 N ASN A 68 -9.946 -8.374 -12.239 1.00 24.20 N ATOM 1094 CA ASN A 68 -9.234 -9.639 -12.439 1.00 61.50 C ATOM 1095 C ASN A 68 -8.541 -9.649 -13.804 1.00 4.23 C ATOM 1096 O ASN A 68 -7.802 -10.576 -14.140 1.00 71.24 O ATOM 1097 CB ASN A 68 -10.208 -10.823 -12.307 1.00 31.14 C ATOM 1098 CG ASN A 68 -9.501 -12.167 -12.209 1.00 11.54 C ATOM 1099 OD1 ASN A 68 -9.302 -12.864 -13.209 1.00 20.14 O ATOM 1100 ND2 ASN A 68 -9.105 -12.534 -10.999 1.00 33.13 N ATOM 0 H ASN A 68 -10.953 -8.429 -12.390 1.00 24.20 H new ATOM 0 HA ASN A 68 -8.468 -9.739 -11.670 1.00 61.50 H new ATOM 0 HB2 ASN A 68 -10.828 -10.679 -11.422 1.00 31.14 H new ATOM 0 HB3 ASN A 68 -10.878 -10.833 -13.167 1.00 31.14 H new ATOM 0 HD21 ASN A 68 -8.617 -13.420 -10.869 1.00 33.13 H new ATOM 0 HD22 ASN A 68 -9.288 -11.930 -10.197 1.00 33.13 H new ATOM 1107 N GLN A 69 -8.789 -8.603 -14.586 1.00 63.31 N ATOM 1108 CA GLN A 69 -8.151 -8.433 -15.889 1.00 32.34 C ATOM 1109 C GLN A 69 -6.674 -8.043 -15.719 1.00 2.44 C ATOM 1110 O GLN A 69 -6.309 -6.863 -15.770 1.00 34.44 O ATOM 1111 CB GLN A 69 -8.916 -7.383 -16.711 1.00 42.31 C ATOM 1112 CG GLN A 69 -9.124 -6.059 -15.981 1.00 11.21 C ATOM 1113 CD GLN A 69 -10.018 -5.100 -16.743 1.00 72.13 C ATOM 1114 OE1 GLN A 69 -9.546 -4.306 -17.555 1.00 64.35 O ATOM 1115 NE2 GLN A 69 -11.314 -5.162 -16.485 1.00 30.31 N ATOM 0 H GLN A 69 -9.434 -7.853 -14.337 1.00 63.31 H new ATOM 0 HA GLN A 69 -8.182 -9.379 -16.429 1.00 32.34 H new ATOM 0 HB2 GLN A 69 -8.373 -7.195 -17.637 1.00 42.31 H new ATOM 0 HB3 GLN A 69 -9.888 -7.791 -16.988 1.00 42.31 H new ATOM 0 HG2 GLN A 69 -9.561 -6.254 -15.002 1.00 11.21 H new ATOM 0 HG3 GLN A 69 -8.156 -5.588 -15.810 1.00 11.21 H new ATOM 0 HE21 GLN A 69 -11.667 -5.835 -15.804 1.00 30.31 H new ATOM 0 HE22 GLN A 69 -11.960 -4.537 -16.967 1.00 30.31 H new ATOM 1124 N LYS A 70 -5.839 -9.048 -15.488 1.00 63.01 N ATOM 1125 CA LYS A 70 -4.415 -8.841 -15.256 1.00 44.25 C ATOM 1126 C LYS A 70 -3.698 -8.518 -16.566 1.00 70.41 C ATOM 1127 O LYS A 70 -3.458 -9.406 -17.389 1.00 54.35 O ATOM 1128 CB LYS A 70 -3.801 -10.089 -14.605 1.00 74.42 C ATOM 1129 CG LYS A 70 -4.434 -10.452 -13.261 1.00 33.32 C ATOM 1130 CD LYS A 70 -3.994 -11.833 -12.783 1.00 61.32 C ATOM 1131 CE LYS A 70 -4.372 -12.910 -13.794 1.00 22.43 C ATOM 1132 NZ LYS A 70 -4.007 -14.270 -13.334 1.00 32.42 N ATOM 0 H LYS A 70 -6.128 -10.026 -15.456 1.00 63.01 H new ATOM 0 HA LYS A 70 -4.292 -7.994 -14.581 1.00 44.25 H new ATOM 0 HB2 LYS A 70 -3.906 -10.933 -15.287 1.00 74.42 H new ATOM 0 HB3 LYS A 70 -2.733 -9.926 -14.462 1.00 74.42 H new ATOM 0 HG2 LYS A 70 -4.160 -9.705 -12.516 1.00 33.32 H new ATOM 0 HG3 LYS A 70 -5.520 -10.428 -13.352 1.00 33.32 H new ATOM 0 HD2 LYS A 70 -2.915 -11.840 -12.626 1.00 61.32 H new ATOM 0 HD3 LYS A 70 -4.458 -12.053 -11.822 1.00 61.32 H new ATOM 0 HE2 LYS A 70 -5.445 -12.868 -13.981 1.00 22.43 H new ATOM 0 HE3 LYS A 70 -3.875 -12.705 -14.742 1.00 22.43 H new ATOM 0 HZ1 LYS A 70 -4.284 -14.966 -14.055 1.00 32.42 H new ATOM 0 HZ2 LYS A 70 -2.980 -14.321 -13.181 1.00 32.42 H new ATOM 0 HZ3 LYS A 70 -4.501 -14.479 -12.443 1.00 32.42 H new ATOM 1146 N ALA A 71 -3.375 -7.243 -16.754 1.00 2.50 N ATOM 1147 CA ALA A 71 -2.689 -6.780 -17.956 1.00 52.35 C ATOM 1148 C ALA A 71 -2.291 -5.312 -17.809 1.00 22.54 C ATOM 1149 O ALA A 71 -1.228 -5.003 -17.271 1.00 30.35 O ATOM 1150 CB ALA A 71 -3.556 -6.991 -19.202 1.00 24.03 C ATOM 0 H ALA A 71 -3.580 -6.504 -16.081 1.00 2.50 H new ATOM 0 HA ALA A 71 -1.782 -7.372 -18.081 1.00 52.35 H new ATOM 0 HB1 ALA A 71 -3.020 -6.637 -20.083 1.00 24.03 H new ATOM 0 HB2 ALA A 71 -3.779 -8.052 -19.315 1.00 24.03 H new ATOM 0 HB3 ALA A 71 -4.487 -6.434 -19.096 1.00 24.03 H new ATOM 1156 N THR A 72 -3.166 -4.408 -18.250 1.00 62.12 N ATOM 1157 CA THR A 72 -2.890 -2.974 -18.203 1.00 42.10 C ATOM 1158 C THR A 72 -3.788 -2.278 -17.174 1.00 64.21 C ATOM 1159 O THR A 72 -3.739 -1.055 -17.020 1.00 62.31 O ATOM 1160 CB THR A 72 -3.072 -2.324 -19.600 1.00 61.31 C ATOM 1161 OG1 THR A 72 -2.742 -0.926 -19.558 1.00 23.41 O ATOM 1162 CG2 THR A 72 -4.501 -2.495 -20.108 1.00 10.13 C ATOM 0 H THR A 72 -4.076 -4.646 -18.645 1.00 62.12 H new ATOM 0 HA THR A 72 -1.851 -2.848 -17.899 1.00 42.10 H new ATOM 0 HB THR A 72 -2.394 -2.832 -20.286 1.00 61.31 H new ATOM 0 HG1 THR A 72 -2.850 -0.592 -18.643 1.00 23.41 H new ATOM 0 HG21 THR A 72 -4.597 -2.029 -21.089 1.00 10.13 H new ATOM 0 HG22 THR A 72 -4.735 -3.557 -20.186 1.00 10.13 H new ATOM 0 HG23 THR A 72 -5.194 -2.021 -19.412 1.00 10.13 H new ATOM 1170 N PHE A 73 -4.612 -3.058 -16.477 1.00 51.34 N ATOM 1171 CA PHE A 73 -5.457 -2.526 -15.410 1.00 62.23 C ATOM 1172 C PHE A 73 -5.145 -3.226 -14.088 1.00 64.33 C ATOM 1173 O PHE A 73 -4.117 -2.940 -13.481 1.00 41.33 O ATOM 1174 CB PHE A 73 -6.950 -2.643 -15.767 1.00 74.31 C ATOM 1175 CG PHE A 73 -7.405 -1.659 -16.817 1.00 55.44 C ATOM 1176 CD1 PHE A 73 -7.799 -0.375 -16.456 1.00 11.30 C ATOM 1177 CD2 PHE A 73 -7.439 -2.011 -18.158 1.00 3.22 C ATOM 1178 CE1 PHE A 73 -8.217 0.532 -17.413 1.00 20.34 C ATOM 1179 CE2 PHE A 73 -7.857 -1.108 -19.117 1.00 21.22 C ATOM 1180 CZ PHE A 73 -8.245 0.165 -18.744 1.00 54.10 C ATOM 0 H PHE A 73 -4.712 -4.061 -16.632 1.00 51.34 H new ATOM 0 HA PHE A 73 -5.236 -1.465 -15.296 1.00 62.23 H new ATOM 0 HB2 PHE A 73 -7.151 -3.655 -16.119 1.00 74.31 H new ATOM 0 HB3 PHE A 73 -7.542 -2.496 -14.864 1.00 74.31 H new ATOM 0 HD1 PHE A 73 -7.778 -0.083 -15.417 1.00 11.30 H new ATOM 0 HD2 PHE A 73 -7.135 -3.003 -18.457 1.00 3.22 H new ATOM 0 HE1 PHE A 73 -8.521 1.526 -17.120 1.00 20.34 H new ATOM 0 HE2 PHE A 73 -7.880 -1.397 -20.157 1.00 21.22 H new ATOM 0 HZ PHE A 73 -8.570 0.872 -19.493 1.00 54.10 H new ATOM 1190 N GLU A 74 -6.028 -4.146 -13.660 1.00 61.03 N ATOM 1191 CA GLU A 74 -5.880 -4.917 -12.407 1.00 32.25 C ATOM 1192 C GLU A 74 -5.467 -4.044 -11.207 1.00 33.23 C ATOM 1193 O GLU A 74 -5.066 -4.564 -10.163 1.00 3.35 O ATOM 1194 CB GLU A 74 -4.887 -6.086 -12.592 1.00 43.34 C ATOM 1195 CG GLU A 74 -3.426 -5.667 -12.724 1.00 14.42 C ATOM 1196 CD GLU A 74 -2.485 -6.837 -12.959 1.00 53.21 C ATOM 1197 OE1 GLU A 74 -2.267 -7.629 -12.018 1.00 34.13 O ATOM 1198 OE2 GLU A 74 -1.929 -6.946 -14.072 1.00 44.31 O ATOM 0 H GLU A 74 -6.875 -4.380 -14.178 1.00 61.03 H new ATOM 0 HA GLU A 74 -6.866 -5.320 -12.178 1.00 32.25 H new ATOM 0 HB2 GLU A 74 -4.981 -6.763 -11.743 1.00 43.34 H new ATOM 0 HB3 GLU A 74 -5.171 -6.649 -13.481 1.00 43.34 H new ATOM 0 HG2 GLU A 74 -3.331 -4.961 -13.549 1.00 14.42 H new ATOM 0 HG3 GLU A 74 -3.122 -5.142 -11.819 1.00 14.42 H new ATOM 1205 N THR A 75 -5.610 -2.726 -11.336 1.00 33.14 N ATOM 1206 CA THR A 75 -5.124 -1.793 -10.320 1.00 12.11 C ATOM 1207 C THR A 75 -6.204 -0.798 -9.896 1.00 31.12 C ATOM 1208 O THR A 75 -6.184 -0.299 -8.769 1.00 32.23 O ATOM 1209 CB THR A 75 -3.885 -1.021 -10.826 1.00 40.42 C ATOM 1210 OG1 THR A 75 -4.135 -0.516 -12.145 1.00 43.52 O ATOM 1211 CG2 THR A 75 -2.643 -1.911 -10.846 1.00 25.10 C ATOM 0 H THR A 75 -6.059 -2.279 -12.135 1.00 33.14 H new ATOM 0 HA THR A 75 -4.848 -2.391 -9.451 1.00 12.11 H new ATOM 0 HB THR A 75 -3.700 -0.194 -10.140 1.00 40.42 H new ATOM 0 HG1 THR A 75 -4.131 -1.258 -12.785 1.00 43.52 H new ATOM 0 HG21 THR A 75 -1.790 -1.337 -11.207 1.00 25.10 H new ATOM 0 HG22 THR A 75 -2.438 -2.272 -9.838 1.00 25.10 H new ATOM 0 HG23 THR A 75 -2.815 -2.760 -11.507 1.00 25.10 H new ATOM 1219 N LYS A 76 -7.147 -0.501 -10.795 1.00 3.54 N ATOM 1220 CA LYS A 76 -8.247 0.402 -10.463 1.00 51.05 C ATOM 1221 C LYS A 76 -9.265 -0.345 -9.606 1.00 41.55 C ATOM 1222 O LYS A 76 -10.362 -0.683 -10.055 1.00 30.50 O ATOM 1223 CB LYS A 76 -8.902 0.974 -11.737 1.00 22.54 C ATOM 1224 CG LYS A 76 -9.847 2.151 -11.480 1.00 41.12 C ATOM 1225 CD LYS A 76 -9.114 3.344 -10.862 1.00 30.13 C ATOM 1226 CE LYS A 76 -9.998 4.589 -10.776 1.00 30.33 C ATOM 1227 NZ LYS A 76 -11.188 4.392 -9.905 1.00 25.44 N ATOM 0 H LYS A 76 -7.170 -0.869 -11.746 1.00 3.54 H new ATOM 0 HA LYS A 76 -7.857 1.249 -9.898 1.00 51.05 H new ATOM 0 HB2 LYS A 76 -8.118 1.295 -12.423 1.00 22.54 H new ATOM 0 HB3 LYS A 76 -9.456 0.179 -12.236 1.00 22.54 H new ATOM 0 HG2 LYS A 76 -10.311 2.456 -12.418 1.00 41.12 H new ATOM 0 HG3 LYS A 76 -10.650 1.834 -10.815 1.00 41.12 H new ATOM 0 HD2 LYS A 76 -8.768 3.077 -9.863 1.00 30.13 H new ATOM 0 HD3 LYS A 76 -8.228 3.570 -11.456 1.00 30.13 H new ATOM 0 HE2 LYS A 76 -9.408 5.422 -10.394 1.00 30.33 H new ATOM 0 HE3 LYS A 76 -10.328 4.865 -11.778 1.00 30.33 H new ATOM 0 HZ1 LYS A 76 -12.053 4.569 -10.454 1.00 25.44 H new ATOM 0 HZ2 LYS A 76 -11.199 3.415 -9.547 1.00 25.44 H new ATOM 0 HZ3 LYS A 76 -11.145 5.054 -9.104 1.00 25.44 H new ATOM 1241 N ILE A 77 -8.858 -0.639 -8.381 1.00 25.22 N ATOM 1242 CA ILE A 77 -9.667 -1.408 -7.449 1.00 73.24 C ATOM 1243 C ILE A 77 -10.895 -0.598 -7.023 1.00 22.33 C ATOM 1244 O ILE A 77 -10.787 0.326 -6.219 1.00 42.22 O ATOM 1245 CB ILE A 77 -8.820 -1.813 -6.210 1.00 61.40 C ATOM 1246 CG1 ILE A 77 -7.550 -2.564 -6.653 1.00 3.42 C ATOM 1247 CG2 ILE A 77 -9.632 -2.663 -5.235 1.00 53.32 C ATOM 1248 CD1 ILE A 77 -6.641 -2.964 -5.507 1.00 22.20 C ATOM 0 H ILE A 77 -7.955 -0.350 -8.004 1.00 25.22 H new ATOM 0 HA ILE A 77 -10.008 -2.317 -7.944 1.00 73.24 H new ATOM 0 HB ILE A 77 -8.526 -0.901 -5.691 1.00 61.40 H new ATOM 0 HG12 ILE A 77 -7.842 -3.459 -7.202 1.00 3.42 H new ATOM 0 HG13 ILE A 77 -6.990 -1.935 -7.345 1.00 3.42 H new ATOM 0 HG21 ILE A 77 -9.011 -2.929 -4.380 1.00 53.32 H new ATOM 0 HG22 ILE A 77 -10.498 -2.096 -4.892 1.00 53.32 H new ATOM 0 HG23 ILE A 77 -9.968 -3.571 -5.736 1.00 53.32 H new ATOM 0 HD11 ILE A 77 -5.769 -3.488 -5.900 1.00 22.20 H new ATOM 0 HD12 ILE A 77 -6.317 -2.072 -4.971 1.00 22.20 H new ATOM 0 HD13 ILE A 77 -7.182 -3.620 -4.825 1.00 22.20 H new ATOM 1260 N SER A 78 -12.052 -0.938 -7.589 1.00 41.00 N ATOM 1261 CA SER A 78 -13.294 -0.211 -7.326 1.00 53.21 C ATOM 1262 C SER A 78 -13.621 -0.200 -5.832 1.00 31.41 C ATOM 1263 O SER A 78 -13.896 0.858 -5.263 1.00 34.23 O ATOM 1264 CB SER A 78 -14.446 -0.831 -8.131 1.00 44.35 C ATOM 1265 OG SER A 78 -15.639 -0.073 -8.013 1.00 62.03 O ATOM 0 H SER A 78 -12.156 -1.718 -8.238 1.00 41.00 H new ATOM 0 HA SER A 78 -13.161 0.824 -7.642 1.00 53.21 H new ATOM 0 HB2 SER A 78 -14.161 -0.899 -9.181 1.00 44.35 H new ATOM 0 HB3 SER A 78 -14.626 -1.848 -7.784 1.00 44.35 H new ATOM 0 HG SER A 78 -16.349 -0.496 -8.539 1.00 62.03 H new ATOM 1271 N THR A 79 -13.571 -1.371 -5.195 1.00 43.22 N ATOM 1272 CA THR A 79 -13.853 -1.476 -3.762 1.00 42.22 C ATOM 1273 C THR A 79 -12.906 -0.581 -2.947 1.00 72.53 C ATOM 1274 O THR A 79 -13.256 -0.108 -1.859 1.00 3.44 O ATOM 1275 CB THR A 79 -13.763 -2.947 -3.275 1.00 41.41 C ATOM 1276 OG1 THR A 79 -14.093 -3.042 -1.885 1.00 41.12 O ATOM 1277 CG2 THR A 79 -12.374 -3.535 -3.505 1.00 64.05 C ATOM 0 H THR A 79 -13.339 -2.256 -5.646 1.00 43.22 H new ATOM 0 HA THR A 79 -14.874 -1.130 -3.603 1.00 42.22 H new ATOM 0 HB THR A 79 -14.482 -3.520 -3.860 1.00 41.41 H new ATOM 0 HG1 THR A 79 -14.032 -3.977 -1.597 1.00 41.12 H new ATOM 0 HG21 THR A 79 -12.352 -4.566 -3.151 1.00 64.05 H new ATOM 0 HG22 THR A 79 -12.141 -3.512 -4.570 1.00 64.05 H new ATOM 0 HG23 THR A 79 -11.635 -2.948 -2.959 1.00 64.05 H new ATOM 1285 N LEU A 80 -11.716 -0.334 -3.494 1.00 40.22 N ATOM 1286 CA LEU A 80 -10.746 0.565 -2.873 1.00 44.21 C ATOM 1287 C LEU A 80 -11.129 2.017 -3.138 1.00 42.24 C ATOM 1288 O LEU A 80 -11.080 2.854 -2.240 1.00 73.23 O ATOM 1289 CB LEU A 80 -9.334 0.286 -3.410 1.00 30.11 C ATOM 1290 CG LEU A 80 -8.272 1.360 -3.102 1.00 14.50 C ATOM 1291 CD1 LEU A 80 -8.055 1.518 -1.599 1.00 3.13 C ATOM 1292 CD2 LEU A 80 -6.959 1.034 -3.813 1.00 21.24 C ATOM 0 H LEU A 80 -11.400 -0.747 -4.371 1.00 40.22 H new ATOM 0 HA LEU A 80 -10.751 0.389 -1.797 1.00 44.21 H new ATOM 0 HB2 LEU A 80 -8.991 -0.664 -3.000 1.00 30.11 H new ATOM 0 HB3 LEU A 80 -9.395 0.163 -4.491 1.00 30.11 H new ATOM 0 HG LEU A 80 -8.641 2.314 -3.480 1.00 14.50 H new ATOM 0 HD11 LEU A 80 -7.300 2.283 -1.419 1.00 3.13 H new ATOM 0 HD12 LEU A 80 -8.991 1.813 -1.125 1.00 3.13 H new ATOM 0 HD13 LEU A 80 -7.719 0.570 -1.178 1.00 3.13 H new ATOM 0 HD21 LEU A 80 -6.221 1.803 -3.584 1.00 21.24 H new ATOM 0 HD22 LEU A 80 -6.592 0.066 -3.473 1.00 21.24 H new ATOM 0 HD23 LEU A 80 -7.127 1.001 -4.890 1.00 21.24 H new ATOM 1304 N ASP A 81 -11.522 2.299 -4.377 1.00 12.22 N ATOM 1305 CA ASP A 81 -11.882 3.655 -4.797 1.00 14.45 C ATOM 1306 C ASP A 81 -12.991 4.202 -3.896 1.00 72.12 C ATOM 1307 O ASP A 81 -12.955 5.357 -3.462 1.00 34.22 O ATOM 1308 CB ASP A 81 -12.334 3.646 -6.267 1.00 21.04 C ATOM 1309 CG ASP A 81 -12.373 5.032 -6.890 1.00 3.41 C ATOM 1310 OD1 ASP A 81 -11.328 5.476 -7.423 1.00 33.12 O ATOM 1311 OD2 ASP A 81 -13.442 5.673 -6.878 1.00 63.40 O ATOM 0 H ASP A 81 -11.601 1.601 -5.116 1.00 12.22 H new ATOM 0 HA ASP A 81 -11.010 4.303 -4.707 1.00 14.45 H new ATOM 0 HB2 ASP A 81 -11.659 3.014 -6.844 1.00 21.04 H new ATOM 0 HB3 ASP A 81 -13.325 3.197 -6.333 1.00 21.04 H new ATOM 1316 N GLU A 82 -13.958 3.337 -3.598 1.00 44.23 N ATOM 1317 CA GLU A 82 -15.034 3.661 -2.663 1.00 61.15 C ATOM 1318 C GLU A 82 -14.454 3.956 -1.282 1.00 21.04 C ATOM 1319 O GLU A 82 -14.811 4.946 -0.641 1.00 23.21 O ATOM 1320 CB GLU A 82 -16.026 2.490 -2.573 1.00 4.53 C ATOM 1321 CG GLU A 82 -16.603 2.064 -3.918 1.00 42.14 C ATOM 1322 CD GLU A 82 -17.446 3.147 -4.570 1.00 31.51 C ATOM 1323 OE1 GLU A 82 -18.660 3.222 -4.278 1.00 24.43 O ATOM 1324 OE2 GLU A 82 -16.912 3.922 -5.384 1.00 73.34 O ATOM 0 H GLU A 82 -14.018 2.399 -3.994 1.00 44.23 H new ATOM 0 HA GLU A 82 -15.560 4.544 -3.025 1.00 61.15 H new ATOM 0 HB2 GLU A 82 -15.525 1.636 -2.117 1.00 4.53 H new ATOM 0 HB3 GLU A 82 -16.845 2.770 -1.910 1.00 4.53 H new ATOM 0 HG2 GLU A 82 -15.787 1.793 -4.588 1.00 42.14 H new ATOM 0 HG3 GLU A 82 -17.212 1.171 -3.780 1.00 42.14 H new ATOM 1331 N TYR A 83 -13.542 3.089 -0.846 1.00 54.33 N ATOM 1332 CA TYR A 83 -12.876 3.229 0.450 1.00 71.51 C ATOM 1333 C TYR A 83 -12.141 4.569 0.535 1.00 61.32 C ATOM 1334 O TYR A 83 -12.077 5.193 1.598 1.00 71.44 O ATOM 1335 CB TYR A 83 -11.900 2.058 0.655 1.00 74.40 C ATOM 1336 CG TYR A 83 -11.128 2.089 1.967 1.00 31.02 C ATOM 1337 CD1 TYR A 83 -11.679 1.569 3.132 1.00 21.20 C ATOM 1338 CD2 TYR A 83 -9.841 2.624 2.034 1.00 25.42 C ATOM 1339 CE1 TYR A 83 -10.974 1.582 4.324 1.00 32.24 C ATOM 1340 CE2 TYR A 83 -9.137 2.643 3.222 1.00 34.22 C ATOM 1341 CZ TYR A 83 -9.706 2.121 4.363 1.00 32.34 C ATOM 1342 OH TYR A 83 -9.002 2.139 5.548 1.00 61.22 O ATOM 0 H TYR A 83 -13.244 2.272 -1.378 1.00 54.33 H new ATOM 0 HA TYR A 83 -13.625 3.208 1.241 1.00 71.51 H new ATOM 0 HB2 TYR A 83 -12.460 1.124 0.602 1.00 74.40 H new ATOM 0 HB3 TYR A 83 -11.187 2.050 -0.169 1.00 74.40 H new ATOM 0 HD1 TYR A 83 -12.673 1.148 3.107 1.00 21.20 H new ATOM 0 HD2 TYR A 83 -9.388 3.030 1.142 1.00 25.42 H new ATOM 0 HE1 TYR A 83 -11.416 1.171 5.220 1.00 32.24 H new ATOM 0 HE2 TYR A 83 -8.144 3.066 3.256 1.00 34.22 H new ATOM 0 HH TYR A 83 -8.126 2.552 5.402 1.00 61.22 H new ATOM 1352 N ILE A 84 -11.598 5.010 -0.598 1.00 72.33 N ATOM 1353 CA ILE A 84 -10.897 6.287 -0.672 1.00 20.32 C ATOM 1354 C ILE A 84 -11.880 7.436 -0.468 1.00 11.34 C ATOM 1355 O ILE A 84 -11.607 8.370 0.284 1.00 12.00 O ATOM 1356 CB ILE A 84 -10.162 6.456 -2.030 1.00 34.24 C ATOM 1357 CG1 ILE A 84 -9.108 5.350 -2.218 1.00 73.13 C ATOM 1358 CG2 ILE A 84 -9.512 7.838 -2.131 1.00 1.21 C ATOM 1359 CD1 ILE A 84 -8.028 5.335 -1.154 1.00 20.24 C ATOM 0 H ILE A 84 -11.631 4.498 -1.480 1.00 72.33 H new ATOM 0 HA ILE A 84 -10.149 6.303 0.120 1.00 20.32 H new ATOM 0 HB ILE A 84 -10.901 6.368 -2.827 1.00 34.24 H new ATOM 0 HG12 ILE A 84 -9.610 4.382 -2.224 1.00 73.13 H new ATOM 0 HG13 ILE A 84 -8.639 5.472 -3.194 1.00 73.13 H new ATOM 0 HG21 ILE A 84 -9.004 7.932 -3.091 1.00 1.21 H new ATOM 0 HG22 ILE A 84 -10.279 8.608 -2.050 1.00 1.21 H new ATOM 0 HG23 ILE A 84 -8.789 7.960 -1.324 1.00 1.21 H new ATOM 0 HD11 ILE A 84 -7.326 4.527 -1.359 1.00 20.24 H new ATOM 0 HD12 ILE A 84 -7.497 6.287 -1.161 1.00 20.24 H new ATOM 0 HD13 ILE A 84 -8.483 5.180 -0.176 1.00 20.24 H new ATOM 1371 N TYR A 85 -13.036 7.346 -1.125 1.00 33.54 N ATOM 1372 CA TYR A 85 -14.089 8.356 -0.992 1.00 70.24 C ATOM 1373 C TYR A 85 -14.539 8.493 0.464 1.00 25.41 C ATOM 1374 O TYR A 85 -14.928 9.578 0.906 1.00 52.31 O ATOM 1375 CB TYR A 85 -15.288 7.998 -1.890 1.00 11.22 C ATOM 1376 CG TYR A 85 -16.524 8.849 -1.644 1.00 11.14 C ATOM 1377 CD1 TYR A 85 -16.566 10.185 -2.033 1.00 3.13 C ATOM 1378 CD2 TYR A 85 -17.643 8.319 -1.004 1.00 74.02 C ATOM 1379 CE1 TYR A 85 -17.685 10.963 -1.795 1.00 21.43 C ATOM 1380 CE2 TYR A 85 -18.762 9.093 -0.762 1.00 4.32 C ATOM 1381 CZ TYR A 85 -18.780 10.413 -1.158 1.00 55.03 C ATOM 1382 OH TYR A 85 -19.891 11.187 -0.909 1.00 14.52 O ATOM 0 H TYR A 85 -13.269 6.581 -1.758 1.00 33.54 H new ATOM 0 HA TYR A 85 -13.681 9.315 -1.312 1.00 70.24 H new ATOM 0 HB2 TYR A 85 -14.990 8.102 -2.933 1.00 11.22 H new ATOM 0 HB3 TYR A 85 -15.545 6.950 -1.734 1.00 11.22 H new ATOM 0 HD1 TYR A 85 -15.711 10.621 -2.529 1.00 3.13 H new ATOM 0 HD2 TYR A 85 -17.635 7.285 -0.692 1.00 74.02 H new ATOM 0 HE1 TYR A 85 -17.702 11.997 -2.106 1.00 21.43 H new ATOM 0 HE2 TYR A 85 -19.620 8.665 -0.264 1.00 4.32 H new ATOM 0 HH TYR A 85 -20.571 10.647 -0.455 1.00 14.52 H new ATOM 1392 N GLU A 86 -14.480 7.392 1.204 1.00 52.44 N ATOM 1393 CA GLU A 86 -14.901 7.380 2.601 1.00 72.21 C ATOM 1394 C GLU A 86 -14.067 8.348 3.438 1.00 25.21 C ATOM 1395 O GLU A 86 -14.612 9.163 4.190 1.00 53.31 O ATOM 1396 CB GLU A 86 -14.802 5.960 3.170 1.00 52.31 C ATOM 1397 CG GLU A 86 -15.683 4.952 2.443 1.00 21.12 C ATOM 1398 CD GLU A 86 -17.168 5.257 2.574 1.00 71.43 C ATOM 1399 OE1 GLU A 86 -17.686 6.099 1.811 1.00 5.43 O ATOM 1400 OE2 GLU A 86 -17.828 4.655 3.449 1.00 11.01 O ATOM 0 H GLU A 86 -14.144 6.493 0.859 1.00 52.44 H new ATOM 0 HA GLU A 86 -15.939 7.708 2.645 1.00 72.21 H new ATOM 0 HB2 GLU A 86 -13.765 5.628 3.119 1.00 52.31 H new ATOM 0 HB3 GLU A 86 -15.079 5.979 4.224 1.00 52.31 H new ATOM 0 HG2 GLU A 86 -15.413 4.936 1.387 1.00 21.12 H new ATOM 0 HG3 GLU A 86 -15.486 3.955 2.837 1.00 21.12 H new ATOM 1407 N TYR A 87 -12.751 8.261 3.304 1.00 75.53 N ATOM 1408 CA TYR A 87 -11.841 9.117 4.064 1.00 55.40 C ATOM 1409 C TYR A 87 -11.540 10.397 3.292 1.00 41.50 C ATOM 1410 O TYR A 87 -11.752 11.507 3.790 1.00 2.11 O ATOM 1411 CB TYR A 87 -10.541 8.365 4.372 1.00 41.43 C ATOM 1412 CG TYR A 87 -10.734 7.160 5.271 1.00 63.12 C ATOM 1413 CD1 TYR A 87 -11.151 5.937 4.752 1.00 33.45 C ATOM 1414 CD2 TYR A 87 -10.503 7.244 6.638 1.00 61.14 C ATOM 1415 CE1 TYR A 87 -11.330 4.841 5.571 1.00 14.14 C ATOM 1416 CE2 TYR A 87 -10.678 6.149 7.461 1.00 5.05 C ATOM 1417 CZ TYR A 87 -11.092 4.950 6.923 1.00 64.53 C ATOM 1418 OH TYR A 87 -11.264 3.856 7.742 1.00 55.32 O ATOM 0 H TYR A 87 -12.286 7.606 2.676 1.00 75.53 H new ATOM 0 HA TYR A 87 -12.323 9.386 5.004 1.00 55.40 H new ATOM 0 HB2 TYR A 87 -10.089 8.040 3.435 1.00 41.43 H new ATOM 0 HB3 TYR A 87 -9.838 9.051 4.844 1.00 41.43 H new ATOM 0 HD1 TYR A 87 -11.337 5.845 3.692 1.00 33.45 H new ATOM 0 HD2 TYR A 87 -10.181 8.182 7.065 1.00 61.14 H new ATOM 0 HE1 TYR A 87 -11.656 3.900 5.153 1.00 14.14 H new ATOM 0 HE2 TYR A 87 -10.491 6.232 8.521 1.00 5.05 H new ATOM 0 HH TYR A 87 -11.053 4.103 8.667 1.00 55.32 H new ATOM 1428 N CYS A 88 -11.060 10.235 2.072 1.00 32.41 N ATOM 1429 CA CYS A 88 -10.678 11.360 1.233 1.00 4.23 C ATOM 1430 C CYS A 88 -11.894 11.980 0.546 1.00 63.34 C ATOM 1431 O CYS A 88 -12.266 11.588 -0.559 1.00 51.44 O ATOM 1432 CB CYS A 88 -9.653 10.924 0.180 1.00 62.02 C ATOM 1433 SG CYS A 88 -9.189 12.249 -0.983 1.00 13.42 S ATOM 0 H CYS A 88 -10.924 9.324 1.635 1.00 32.41 H new ATOM 0 HA CYS A 88 -10.228 12.113 1.880 1.00 4.23 H new ATOM 0 HB2 CYS A 88 -8.756 10.566 0.685 1.00 62.02 H new ATOM 0 HB3 CYS A 88 -10.059 10.084 -0.383 1.00 62.02 H new ATOM 1438 N ASN A 89 -12.541 12.917 1.232 1.00 53.45 N ATOM 1439 CA ASN A 89 -13.565 13.757 0.604 1.00 40.30 C ATOM 1440 C ASN A 89 -12.879 14.920 -0.102 1.00 44.15 C ATOM 1441 O ASN A 89 -13.343 15.404 -1.140 1.00 62.51 O ATOM 1442 CB ASN A 89 -14.565 14.279 1.651 1.00 45.30 C ATOM 1443 CG ASN A 89 -15.547 13.219 2.133 1.00 61.24 C ATOM 1444 OD1 ASN A 89 -16.679 13.531 2.496 1.00 0.21 O ATOM 1445 ND2 ASN A 89 -15.131 11.961 2.134 1.00 72.24 N ATOM 0 H ASN A 89 -12.378 13.116 2.219 1.00 53.45 H new ATOM 0 HA ASN A 89 -14.124 13.164 -0.119 1.00 40.30 H new ATOM 0 HB2 ASN A 89 -14.013 14.668 2.507 1.00 45.30 H new ATOM 0 HB3 ASN A 89 -15.123 15.113 1.225 1.00 45.30 H new ATOM 0 HD21 ASN A 89 -15.757 11.217 2.442 1.00 72.24 H new ATOM 0 HD22 ASN A 89 -14.185 11.736 1.826 1.00 72.24 H new ATOM 1452 N PHE A 90 -11.766 15.348 0.482 1.00 14.31 N ATOM 1453 CA PHE A 90 -10.906 16.384 -0.079 1.00 74.23 C ATOM 1454 C PHE A 90 -9.650 16.491 0.779 1.00 63.34 C ATOM 1455 O PHE A 90 -9.715 16.284 1.993 1.00 3.34 O ATOM 1456 CB PHE A 90 -11.625 17.741 -0.129 1.00 4.31 C ATOM 1457 CG PHE A 90 -10.772 18.859 -0.686 1.00 3.40 C ATOM 1458 CD1 PHE A 90 -10.630 19.024 -2.057 1.00 51.30 C ATOM 1459 CD2 PHE A 90 -10.106 19.734 0.162 1.00 45.30 C ATOM 1460 CE1 PHE A 90 -9.845 20.039 -2.568 1.00 54.42 C ATOM 1461 CE2 PHE A 90 -9.319 20.749 -0.345 1.00 52.21 C ATOM 1462 CZ PHE A 90 -9.188 20.901 -1.710 1.00 42.41 C ATOM 0 H PHE A 90 -11.430 14.980 1.372 1.00 14.31 H new ATOM 0 HA PHE A 90 -10.645 16.112 -1.102 1.00 74.23 H new ATOM 0 HB2 PHE A 90 -12.524 17.644 -0.737 1.00 4.31 H new ATOM 0 HB3 PHE A 90 -11.948 18.009 0.877 1.00 4.31 H new ATOM 0 HD1 PHE A 90 -11.139 18.351 -2.731 1.00 51.30 H new ATOM 0 HD2 PHE A 90 -10.205 19.619 1.231 1.00 45.30 H new ATOM 0 HE1 PHE A 90 -9.745 20.159 -3.637 1.00 54.42 H new ATOM 0 HE2 PHE A 90 -8.807 21.423 0.326 1.00 52.21 H new ATOM 0 HZ PHE A 90 -8.572 21.694 -2.108 1.00 42.41 H new ATOM 1472 N GLY A 91 -8.520 16.799 0.149 1.00 75.35 N ATOM 1473 CA GLY A 91 -7.271 16.931 0.879 1.00 74.24 C ATOM 1474 C GLY A 91 -6.810 15.608 1.463 1.00 21.04 C ATOM 1475 O GLY A 91 -7.071 15.307 2.628 1.00 43.33 O ATOM 0 H GLY A 91 -8.447 16.960 -0.856 1.00 75.35 H new ATOM 0 HA2 GLY A 91 -6.501 17.321 0.213 1.00 74.24 H new ATOM 0 HA3 GLY A 91 -7.396 17.658 1.682 1.00 74.24 H new ATOM 1479 N CYS A 92 -6.128 14.812 0.652 1.00 21.03 N ATOM 1480 CA CYS A 92 -5.664 13.500 1.073 1.00 62.22 C ATOM 1481 C CYS A 92 -4.395 13.120 0.322 1.00 51.01 C ATOM 1482 O CYS A 92 -3.929 13.864 -0.544 1.00 61.22 O ATOM 1483 CB CYS A 92 -6.749 12.448 0.814 1.00 21.21 C ATOM 1484 SG CYS A 92 -7.162 12.242 -0.949 1.00 55.04 S ATOM 0 H CYS A 92 -5.883 15.055 -0.308 1.00 21.03 H new ATOM 0 HA CYS A 92 -5.447 13.537 2.141 1.00 62.22 H new ATOM 0 HB2 CYS A 92 -6.417 11.490 1.215 1.00 21.21 H new ATOM 0 HB3 CYS A 92 -7.651 12.727 1.359 1.00 21.21 H new ATOM 1489 N ALA A 93 -3.852 11.958 0.658 1.00 5.52 N ATOM 1490 CA ALA A 93 -2.672 11.424 0.005 1.00 31.45 C ATOM 1491 C ALA A 93 -2.579 9.938 0.305 1.00 11.22 C ATOM 1492 O ALA A 93 -2.590 9.540 1.468 1.00 71.41 O ATOM 1493 CB ALA A 93 -1.415 12.151 0.477 1.00 53.25 C ATOM 0 H ALA A 93 -4.222 11.359 1.396 1.00 5.52 H new ATOM 0 HA ALA A 93 -2.752 11.575 -1.072 1.00 31.45 H new ATOM 0 HB1 ALA A 93 -0.543 11.734 -0.026 1.00 53.25 H new ATOM 0 HB2 ALA A 93 -1.498 13.212 0.240 1.00 53.25 H new ATOM 0 HB3 ALA A 93 -1.306 12.027 1.554 1.00 53.25 H new ATOM 1499 N TYR A 94 -2.511 9.122 -0.735 1.00 12.45 N ATOM 1500 CA TYR A 94 -2.475 7.675 -0.565 1.00 52.25 C ATOM 1501 C TYR A 94 -1.655 7.026 -1.673 1.00 22.33 C ATOM 1502 O TYR A 94 -1.514 7.583 -2.767 1.00 64.33 O ATOM 1503 CB TYR A 94 -3.897 7.086 -0.541 1.00 44.33 C ATOM 1504 CG TYR A 94 -4.644 7.188 -1.860 1.00 12.24 C ATOM 1505 CD1 TYR A 94 -5.238 8.381 -2.260 1.00 11.54 C ATOM 1506 CD2 TYR A 94 -4.756 6.084 -2.706 1.00 43.32 C ATOM 1507 CE1 TYR A 94 -5.916 8.471 -3.458 1.00 25.23 C ATOM 1508 CE2 TYR A 94 -5.435 6.171 -3.904 1.00 75.11 C ATOM 1509 CZ TYR A 94 -6.013 7.366 -4.276 1.00 32.30 C ATOM 1510 OH TYR A 94 -6.683 7.458 -5.475 1.00 25.51 O ATOM 0 H TYR A 94 -2.480 9.435 -1.705 1.00 12.45 H new ATOM 0 HA TYR A 94 -2.001 7.462 0.393 1.00 52.25 H new ATOM 0 HB2 TYR A 94 -3.837 6.037 -0.252 1.00 44.33 H new ATOM 0 HB3 TYR A 94 -4.475 7.596 0.230 1.00 44.33 H new ATOM 0 HD1 TYR A 94 -5.167 9.250 -1.623 1.00 11.54 H new ATOM 0 HD2 TYR A 94 -4.304 5.146 -2.418 1.00 43.32 H new ATOM 0 HE1 TYR A 94 -6.370 9.405 -3.754 1.00 25.23 H new ATOM 0 HE2 TYR A 94 -5.513 5.307 -4.547 1.00 75.11 H new ATOM 0 HH TYR A 94 -6.036 7.543 -6.206 1.00 25.51 H new ATOM 1520 N PHE A 95 -1.130 5.843 -1.385 1.00 60.54 N ATOM 1521 CA PHE A 95 -0.307 5.102 -2.335 1.00 75.24 C ATOM 1522 C PHE A 95 -0.757 3.645 -2.399 1.00 3.30 C ATOM 1523 O PHE A 95 -1.244 3.097 -1.410 1.00 52.33 O ATOM 1524 CB PHE A 95 1.175 5.193 -1.944 1.00 21.40 C ATOM 1525 CG PHE A 95 1.473 4.741 -0.532 1.00 32.34 C ATOM 1526 CD1 PHE A 95 1.409 5.636 0.524 1.00 65.22 C ATOM 1527 CD2 PHE A 95 1.827 3.424 -0.265 1.00 51.14 C ATOM 1528 CE1 PHE A 95 1.690 5.232 1.814 1.00 15.51 C ATOM 1529 CE2 PHE A 95 2.110 3.017 1.023 1.00 63.31 C ATOM 1530 CZ PHE A 95 2.041 3.920 2.064 1.00 21.23 C ATOM 0 H PHE A 95 -1.261 5.370 -0.491 1.00 60.54 H new ATOM 0 HA PHE A 95 -0.429 5.545 -3.323 1.00 75.24 H new ATOM 0 HB2 PHE A 95 1.760 4.589 -2.638 1.00 21.40 H new ATOM 0 HB3 PHE A 95 1.507 6.225 -2.061 1.00 21.40 H new ATOM 0 HD1 PHE A 95 1.136 6.664 0.335 1.00 65.22 H new ATOM 0 HD2 PHE A 95 1.881 2.711 -1.074 1.00 51.14 H new ATOM 0 HE1 PHE A 95 1.635 5.941 2.627 1.00 15.51 H new ATOM 0 HE2 PHE A 95 2.386 1.991 1.216 1.00 63.31 H new ATOM 0 HZ PHE A 95 2.261 3.601 3.072 1.00 21.23 H new ATOM 1540 N VAL A 96 -0.597 3.032 -3.571 1.00 11.11 N ATOM 1541 CA VAL A 96 -0.999 1.644 -3.788 1.00 62.10 C ATOM 1542 C VAL A 96 0.158 0.849 -4.396 1.00 32.43 C ATOM 1543 O VAL A 96 0.665 1.195 -5.469 1.00 14.05 O ATOM 1544 CB VAL A 96 -2.234 1.548 -4.723 1.00 3.13 C ATOM 1545 CG1 VAL A 96 -2.691 0.096 -4.878 1.00 3.50 C ATOM 1546 CG2 VAL A 96 -3.377 2.426 -4.211 1.00 34.14 C ATOM 0 H VAL A 96 -0.188 3.480 -4.391 1.00 11.11 H new ATOM 0 HA VAL A 96 -1.267 1.225 -2.818 1.00 62.10 H new ATOM 0 HB VAL A 96 -1.940 1.916 -5.706 1.00 3.13 H new ATOM 0 HG11 VAL A 96 -3.558 0.056 -5.538 1.00 3.50 H new ATOM 0 HG12 VAL A 96 -1.882 -0.496 -5.305 1.00 3.50 H new ATOM 0 HG13 VAL A 96 -2.959 -0.307 -3.902 1.00 3.50 H new ATOM 0 HG21 VAL A 96 -4.230 2.341 -4.884 1.00 34.14 H new ATOM 0 HG22 VAL A 96 -3.668 2.099 -3.213 1.00 34.14 H new ATOM 0 HG23 VAL A 96 -3.048 3.465 -4.171 1.00 34.14 H new ATOM 1556 N LEU A 97 0.586 -0.198 -3.694 1.00 74.24 N ATOM 1557 CA LEU A 97 1.660 -1.075 -4.166 1.00 74.02 C ATOM 1558 C LEU A 97 1.098 -2.414 -4.632 1.00 32.31 C ATOM 1559 O LEU A 97 0.154 -2.943 -4.039 1.00 42.35 O ATOM 1560 CB LEU A 97 2.713 -1.305 -3.063 1.00 72.12 C ATOM 1561 CG LEU A 97 3.802 -0.222 -2.931 1.00 44.10 C ATOM 1562 CD1 LEU A 97 3.200 1.143 -2.612 1.00 50.14 C ATOM 1563 CD2 LEU A 97 4.822 -0.620 -1.872 1.00 1.21 C ATOM 0 H LEU A 97 0.202 -0.463 -2.787 1.00 74.24 H new ATOM 0 HA LEU A 97 2.143 -0.581 -5.009 1.00 74.02 H new ATOM 0 HB2 LEU A 97 2.196 -1.390 -2.107 1.00 72.12 H new ATOM 0 HB3 LEU A 97 3.201 -2.262 -3.248 1.00 72.12 H new ATOM 0 HG LEU A 97 4.309 -0.141 -3.893 1.00 44.10 H new ATOM 0 HD11 LEU A 97 3.997 1.881 -2.526 1.00 50.14 H new ATOM 0 HD12 LEU A 97 2.519 1.436 -3.411 1.00 50.14 H new ATOM 0 HD13 LEU A 97 2.653 1.089 -1.671 1.00 50.14 H new ATOM 0 HD21 LEU A 97 5.584 0.155 -1.791 1.00 1.21 H new ATOM 0 HD22 LEU A 97 4.321 -0.738 -0.911 1.00 1.21 H new ATOM 0 HD23 LEU A 97 5.292 -1.562 -2.155 1.00 1.21 H new ATOM 1575 N LYS A 98 1.693 -2.952 -5.691 1.00 3.53 N ATOM 1576 CA LYS A 98 1.282 -4.227 -6.267 1.00 71.02 C ATOM 1577 C LYS A 98 2.320 -5.304 -5.951 1.00 1.14 C ATOM 1578 O LYS A 98 3.512 -5.119 -6.210 1.00 0.45 O ATOM 1579 CB LYS A 98 1.113 -4.067 -7.783 1.00 42.04 C ATOM 1580 CG LYS A 98 0.788 -5.356 -8.530 1.00 30.34 C ATOM 1581 CD LYS A 98 0.650 -5.105 -10.034 1.00 61.45 C ATOM 1582 CE LYS A 98 0.376 -6.388 -10.811 1.00 52.34 C ATOM 1583 NZ LYS A 98 0.301 -6.148 -12.281 1.00 31.53 N ATOM 0 H LYS A 98 2.477 -2.514 -6.176 1.00 3.53 H new ATOM 0 HA LYS A 98 0.330 -4.534 -5.834 1.00 71.02 H new ATOM 0 HB2 LYS A 98 0.319 -3.344 -7.972 1.00 42.04 H new ATOM 0 HB3 LYS A 98 2.031 -3.647 -8.194 1.00 42.04 H new ATOM 0 HG2 LYS A 98 1.573 -6.090 -8.352 1.00 30.34 H new ATOM 0 HG3 LYS A 98 -0.139 -5.780 -8.143 1.00 30.34 H new ATOM 0 HD2 LYS A 98 -0.160 -4.397 -10.209 1.00 61.45 H new ATOM 0 HD3 LYS A 98 1.564 -4.644 -10.409 1.00 61.45 H new ATOM 0 HE2 LYS A 98 1.163 -7.113 -10.602 1.00 52.34 H new ATOM 0 HE3 LYS A 98 -0.561 -6.826 -10.467 1.00 52.34 H new ATOM 0 HZ1 LYS A 98 0.046 -7.033 -12.765 1.00 31.53 H new ATOM 0 HZ2 LYS A 98 -0.421 -5.426 -12.478 1.00 31.53 H new ATOM 0 HZ3 LYS A 98 1.225 -5.818 -12.626 1.00 31.53 H new ATOM 1597 N ARG A 99 1.860 -6.416 -5.382 1.00 23.23 N ATOM 1598 CA ARG A 99 2.738 -7.516 -4.980 1.00 12.42 C ATOM 1599 C ARG A 99 3.306 -8.227 -6.212 1.00 60.32 C ATOM 1600 O ARG A 99 2.582 -8.936 -6.918 1.00 72.51 O ATOM 1601 CB ARG A 99 1.951 -8.510 -4.097 1.00 20.42 C ATOM 1602 CG ARG A 99 2.767 -9.219 -3.009 1.00 34.14 C ATOM 1603 CD ARG A 99 3.850 -10.134 -3.569 1.00 64.11 C ATOM 1604 NE ARG A 99 4.489 -10.930 -2.514 1.00 2.01 N ATOM 1605 CZ ARG A 99 5.712 -11.463 -2.600 1.00 11.11 C ATOM 1606 NH1 ARG A 99 6.453 -11.276 -3.686 1.00 5.42 N ATOM 1607 NH2 ARG A 99 6.194 -12.189 -1.598 1.00 3.41 N ATOM 0 H ARG A 99 0.873 -6.581 -5.187 1.00 23.23 H new ATOM 0 HA ARG A 99 3.573 -7.113 -4.406 1.00 12.42 H new ATOM 0 HB2 ARG A 99 1.131 -7.974 -3.620 1.00 20.42 H new ATOM 0 HB3 ARG A 99 1.504 -9.267 -4.742 1.00 20.42 H new ATOM 0 HG2 ARG A 99 3.230 -8.471 -2.366 1.00 34.14 H new ATOM 0 HG3 ARG A 99 2.094 -9.805 -2.383 1.00 34.14 H new ATOM 0 HD2 ARG A 99 3.414 -10.800 -4.314 1.00 64.11 H new ATOM 0 HD3 ARG A 99 4.604 -9.535 -4.080 1.00 64.11 H new ATOM 0 HE ARG A 99 3.963 -11.088 -1.655 1.00 2.01 H new ATOM 0 HH11 ARG A 99 6.090 -10.722 -4.462 1.00 5.42 H new ATOM 0 HH12 ARG A 99 7.385 -11.686 -3.744 1.00 5.42 H new ATOM 0 HH21 ARG A 99 5.631 -12.341 -0.761 1.00 3.41 H new ATOM 0 HH22 ARG A 99 7.127 -12.595 -1.665 1.00 3.41 H new ATOM 1621 N ILE A 100 4.594 -8.023 -6.474 1.00 30.31 N ATOM 1622 CA ILE A 100 5.271 -8.717 -7.565 1.00 61.23 C ATOM 1623 C ILE A 100 5.381 -10.202 -7.221 1.00 14.13 C ATOM 1624 O ILE A 100 5.632 -10.558 -6.071 1.00 75.30 O ATOM 1625 CB ILE A 100 6.683 -8.127 -7.843 1.00 55.43 C ATOM 1626 CG1 ILE A 100 6.583 -6.622 -8.159 1.00 71.14 C ATOM 1627 CG2 ILE A 100 7.373 -8.875 -8.987 1.00 13.04 C ATOM 1628 CD1 ILE A 100 5.720 -6.299 -9.364 1.00 34.21 C ATOM 0 H ILE A 100 5.189 -7.384 -5.947 1.00 30.31 H new ATOM 0 HA ILE A 100 4.681 -8.583 -8.472 1.00 61.23 H new ATOM 0 HB ILE A 100 7.289 -8.253 -6.946 1.00 55.43 H new ATOM 0 HG12 ILE A 100 6.181 -6.105 -7.288 1.00 71.14 H new ATOM 0 HG13 ILE A 100 7.586 -6.230 -8.328 1.00 71.14 H new ATOM 0 HG21 ILE A 100 8.359 -8.443 -9.162 1.00 13.04 H new ATOM 0 HG22 ILE A 100 7.479 -9.927 -8.722 1.00 13.04 H new ATOM 0 HG23 ILE A 100 6.773 -8.788 -9.893 1.00 13.04 H new ATOM 0 HD11 ILE A 100 5.701 -5.220 -9.519 1.00 34.21 H new ATOM 0 HD12 ILE A 100 6.132 -6.786 -10.248 1.00 34.21 H new ATOM 0 HD13 ILE A 100 4.706 -6.659 -9.192 1.00 34.21 H new ATOM 1640 N ARG A 101 5.207 -11.059 -8.218 1.00 53.40 N ATOM 1641 CA ARG A 101 5.088 -12.503 -7.989 1.00 54.33 C ATOM 1642 C ARG A 101 6.418 -13.144 -7.567 1.00 23.14 C ATOM 1643 O ARG A 101 6.484 -14.361 -7.380 1.00 60.04 O ATOM 1644 CB ARG A 101 4.557 -13.202 -9.251 1.00 35.44 C ATOM 1645 CG ARG A 101 3.245 -12.632 -9.788 1.00 12.42 C ATOM 1646 CD ARG A 101 2.128 -12.651 -8.747 1.00 20.14 C ATOM 1647 NE ARG A 101 0.847 -12.238 -9.326 1.00 4.03 N ATOM 1648 CZ ARG A 101 -0.041 -11.436 -8.729 1.00 13.43 C ATOM 1649 NH1 ARG A 101 0.176 -10.976 -7.499 1.00 3.22 N ATOM 1650 NH2 ARG A 101 -1.156 -11.106 -9.372 1.00 62.22 N ATOM 0 H ARG A 101 5.144 -10.784 -9.198 1.00 53.40 H new ATOM 0 HA ARG A 101 4.384 -12.634 -7.167 1.00 54.33 H new ATOM 0 HB2 ARG A 101 5.314 -13.136 -10.033 1.00 35.44 H new ATOM 0 HB3 ARG A 101 4.416 -14.260 -9.032 1.00 35.44 H new ATOM 0 HG2 ARG A 101 3.408 -11.607 -10.122 1.00 12.42 H new ATOM 0 HG3 ARG A 101 2.934 -13.206 -10.661 1.00 12.42 H new ATOM 0 HD2 ARG A 101 2.034 -13.654 -8.331 1.00 20.14 H new ATOM 0 HD3 ARG A 101 2.387 -11.987 -7.922 1.00 20.14 H new ATOM 0 HE ARG A 101 0.615 -12.589 -10.255 1.00 4.03 H new ATOM 0 HH11 ARG A 101 1.028 -11.235 -7.001 1.00 3.22 H new ATOM 0 HH12 ARG A 101 -0.509 -10.365 -7.055 1.00 3.22 H new ATOM 0 HH21 ARG A 101 -1.328 -11.464 -10.312 1.00 62.22 H new ATOM 0 HH22 ARG A 101 -1.840 -10.495 -8.926 1.00 62.22 H new ATOM 1664 N LYS A 102 7.471 -12.336 -7.420 1.00 52.03 N ATOM 1665 CA LYS A 102 8.788 -12.842 -7.032 1.00 61.44 C ATOM 1666 C LYS A 102 9.768 -11.691 -6.821 1.00 20.35 C ATOM 1667 O LYS A 102 9.373 -10.528 -6.825 1.00 52.04 O ATOM 1668 CB LYS A 102 9.340 -13.788 -8.105 1.00 54.23 C ATOM 1669 CG LYS A 102 9.546 -13.123 -9.463 1.00 31.31 C ATOM 1670 CD LYS A 102 10.185 -14.076 -10.465 1.00 63.05 C ATOM 1671 CE LYS A 102 11.572 -14.524 -10.015 1.00 31.35 C ATOM 1672 NZ LYS A 102 12.136 -15.566 -10.911 1.00 12.40 N ATOM 0 H LYS A 102 7.436 -11.327 -7.564 1.00 52.03 H new ATOM 0 HA LYS A 102 8.673 -13.389 -6.096 1.00 61.44 H new ATOM 0 HB2 LYS A 102 10.291 -14.196 -7.762 1.00 54.23 H new ATOM 0 HB3 LYS A 102 8.656 -14.629 -8.222 1.00 54.23 H new ATOM 0 HG2 LYS A 102 8.587 -12.779 -9.849 1.00 31.31 H new ATOM 0 HG3 LYS A 102 10.177 -12.242 -9.345 1.00 31.31 H new ATOM 0 HD2 LYS A 102 9.545 -14.949 -10.595 1.00 63.05 H new ATOM 0 HD3 LYS A 102 10.258 -13.587 -11.436 1.00 63.05 H new ATOM 0 HE2 LYS A 102 12.241 -13.664 -9.992 1.00 31.35 H new ATOM 0 HE3 LYS A 102 11.516 -14.912 -8.998 1.00 31.35 H new ATOM 0 HZ1 LYS A 102 12.070 -16.495 -10.448 1.00 12.40 H new ATOM 0 HZ2 LYS A 102 11.600 -15.585 -11.802 1.00 12.40 H new ATOM 0 HZ3 LYS A 102 13.133 -15.349 -11.111 1.00 12.40 H new ATOM 1686 N LEU A 103 11.039 -12.039 -6.620 1.00 52.42 N ATOM 1687 CA LEU A 103 12.122 -11.062 -6.505 1.00 74.44 C ATOM 1688 C LEU A 103 12.982 -11.120 -7.765 1.00 71.00 C ATOM 1689 O LEU A 103 13.436 -12.206 -8.152 1.00 30.34 O ATOM 1690 CB LEU A 103 13.011 -11.363 -5.276 1.00 12.34 C ATOM 1691 CG LEU A 103 12.305 -11.422 -3.905 1.00 33.32 C ATOM 1692 CD1 LEU A 103 11.464 -10.178 -3.670 1.00 55.34 C ATOM 1693 CD2 LEU A 103 11.460 -12.690 -3.766 1.00 13.23 C ATOM 0 H LEU A 103 11.347 -13.007 -6.532 1.00 52.42 H new ATOM 0 HA LEU A 103 11.684 -10.071 -6.385 1.00 74.44 H new ATOM 0 HB2 LEU A 103 13.510 -12.318 -5.443 1.00 12.34 H new ATOM 0 HB3 LEU A 103 13.789 -10.602 -5.225 1.00 12.34 H new ATOM 0 HG LEU A 103 13.078 -11.455 -3.138 1.00 33.32 H new ATOM 0 HD11 LEU A 103 10.978 -10.246 -2.697 1.00 55.34 H new ATOM 0 HD12 LEU A 103 12.104 -9.296 -3.695 1.00 55.34 H new ATOM 0 HD13 LEU A 103 10.706 -10.099 -4.449 1.00 55.34 H new ATOM 0 HD21 LEU A 103 10.977 -12.700 -2.789 1.00 13.23 H new ATOM 0 HD22 LEU A 103 10.700 -12.708 -4.547 1.00 13.23 H new ATOM 0 HD23 LEU A 103 12.101 -13.567 -3.863 1.00 13.23 H new ATOM 1705 N GLU A 104 13.197 -9.978 -8.418 1.00 3.43 N ATOM 1706 CA GLU A 104 14.045 -9.934 -9.606 1.00 12.03 C ATOM 1707 C GLU A 104 15.509 -10.187 -9.231 1.00 71.21 C ATOM 1708 O GLU A 104 15.960 -9.826 -8.139 1.00 22.32 O ATOM 1709 CB GLU A 104 13.903 -8.594 -10.348 1.00 22.34 C ATOM 1710 CG GLU A 104 14.791 -8.469 -11.593 1.00 31.33 C ATOM 1711 CD GLU A 104 14.446 -9.468 -12.701 1.00 50.31 C ATOM 1712 OE1 GLU A 104 14.669 -10.690 -12.513 1.00 51.24 O ATOM 1713 OE2 GLU A 104 13.984 -9.038 -13.776 1.00 30.11 O ATOM 0 H GLU A 104 12.799 -9.079 -8.146 1.00 3.43 H new ATOM 0 HA GLU A 104 13.715 -10.725 -10.280 1.00 12.03 H new ATOM 0 HB2 GLU A 104 12.862 -8.463 -10.643 1.00 22.34 H new ATOM 0 HB3 GLU A 104 14.144 -7.783 -9.660 1.00 22.34 H new ATOM 0 HG2 GLU A 104 14.705 -7.457 -11.989 1.00 31.33 H new ATOM 0 HG3 GLU A 104 15.832 -8.609 -11.301 1.00 31.33 H new ATOM 1720 N HIS A 105 16.236 -10.812 -10.146 1.00 75.25 N ATOM 1721 CA HIS A 105 17.619 -11.216 -9.921 1.00 41.22 C ATOM 1722 C HIS A 105 18.551 -10.005 -9.875 1.00 45.52 C ATOM 1723 O HIS A 105 18.320 -9.015 -10.569 1.00 64.22 O ATOM 1724 CB HIS A 105 18.070 -12.175 -11.032 1.00 3.32 C ATOM 1725 CG HIS A 105 18.207 -11.527 -12.382 1.00 40.20 C ATOM 1726 ND1 HIS A 105 17.162 -11.401 -13.269 1.00 31.53 N ATOM 1727 CD2 HIS A 105 19.276 -10.961 -12.992 1.00 42.13 C ATOM 1728 CE1 HIS A 105 17.581 -10.794 -14.359 1.00 33.25 C ATOM 1729 NE2 HIS A 105 18.862 -10.515 -14.219 1.00 2.14 N ATOM 0 H HIS A 105 15.882 -11.055 -11.071 1.00 75.25 H new ATOM 0 HA HIS A 105 17.670 -11.722 -8.957 1.00 41.22 H new ATOM 0 HB2 HIS A 105 19.028 -12.614 -10.752 1.00 3.32 H new ATOM 0 HB3 HIS A 105 17.354 -12.993 -11.104 1.00 3.32 H new ATOM 0 HD1 HIS A 105 16.210 -11.728 -13.107 1.00 31.53 H new ATOM 0 HD2 HIS A 105 20.273 -10.877 -12.585 1.00 42.13 H new ATOM 0 HE1 HIS A 105 16.977 -10.563 -15.224 1.00 33.25 H new ATOM 1738 N HIS A 106 19.590 -10.089 -9.037 1.00 4.10 N ATOM 1739 CA HIS A 106 20.672 -9.092 -8.992 1.00 25.14 C ATOM 1740 C HIS A 106 20.245 -7.757 -8.374 1.00 22.21 C ATOM 1741 O HIS A 106 21.088 -7.030 -7.841 1.00 51.54 O ATOM 1742 CB HIS A 106 21.267 -8.856 -10.397 1.00 23.15 C ATOM 1743 CG HIS A 106 22.539 -9.609 -10.656 1.00 53.22 C ATOM 1744 ND1 HIS A 106 22.576 -10.939 -11.022 1.00 45.21 N ATOM 1745 CD2 HIS A 106 23.828 -9.200 -10.607 1.00 50.33 C ATOM 1746 CE1 HIS A 106 23.833 -11.312 -11.184 1.00 32.04 C ATOM 1747 NE2 HIS A 106 24.612 -10.277 -10.938 1.00 34.42 N ATOM 0 H HIS A 106 19.707 -10.851 -8.369 1.00 4.10 H new ATOM 0 HA HIS A 106 21.436 -9.514 -8.339 1.00 25.14 H new ATOM 0 HB2 HIS A 106 20.528 -9.142 -11.146 1.00 23.15 H new ATOM 0 HB3 HIS A 106 21.455 -7.790 -10.526 1.00 23.15 H new ATOM 0 HD2 HIS A 106 24.176 -8.209 -10.354 1.00 50.33 H new ATOM 0 HE1 HIS A 106 24.166 -12.299 -11.470 1.00 32.04 H new ATOM 0 HE2 HIS A 106 25.631 -10.277 -10.986 1.00 34.42 H new ATOM 1756 N HIS A 107 18.957 -7.428 -8.446 1.00 63.30 N ATOM 1757 CA HIS A 107 18.479 -6.133 -7.970 1.00 43.21 C ATOM 1758 C HIS A 107 18.749 -5.965 -6.474 1.00 2.03 C ATOM 1759 O HIS A 107 19.080 -4.872 -6.018 1.00 34.32 O ATOM 1760 CB HIS A 107 16.984 -5.950 -8.261 1.00 44.13 C ATOM 1761 CG HIS A 107 16.508 -4.553 -7.995 1.00 31.41 C ATOM 1762 ND1 HIS A 107 16.490 -3.572 -8.960 1.00 25.31 N ATOM 1763 CD2 HIS A 107 16.070 -3.962 -6.856 1.00 73.12 C ATOM 1764 CE1 HIS A 107 16.074 -2.443 -8.428 1.00 64.11 C ATOM 1765 NE2 HIS A 107 15.810 -2.647 -7.151 1.00 4.10 N ATOM 0 H HIS A 107 18.231 -8.035 -8.826 1.00 63.30 H new ATOM 0 HA HIS A 107 19.030 -5.363 -8.511 1.00 43.21 H new ATOM 0 HB2 HIS A 107 16.787 -6.204 -9.303 1.00 44.13 H new ATOM 0 HB3 HIS A 107 16.411 -6.647 -7.649 1.00 44.13 H new ATOM 0 HD2 HIS A 107 15.948 -4.438 -5.894 1.00 73.12 H new ATOM 0 HE1 HIS A 107 15.966 -1.504 -8.950 1.00 64.11 H new ATOM 0 HE2 HIS A 107 15.470 -1.945 -6.494 1.00 4.10 H new ATOM 1774 N HIS A 108 18.592 -7.044 -5.716 1.00 70.23 N ATOM 1775 CA HIS A 108 18.893 -7.019 -4.285 1.00 4.54 C ATOM 1776 C HIS A 108 20.382 -7.303 -4.061 1.00 2.32 C ATOM 1777 O HIS A 108 20.876 -8.375 -4.413 1.00 30.12 O ATOM 1778 CB HIS A 108 18.014 -8.024 -3.512 1.00 64.14 C ATOM 1779 CG HIS A 108 18.285 -9.468 -3.820 1.00 50.43 C ATOM 1780 ND1 HIS A 108 18.888 -10.324 -2.923 1.00 72.21 N ATOM 1781 CD2 HIS A 108 18.020 -10.212 -4.922 1.00 51.23 C ATOM 1782 CE1 HIS A 108 18.982 -11.525 -3.457 1.00 5.34 C ATOM 1783 NE2 HIS A 108 18.464 -11.485 -4.669 1.00 72.24 N ATOM 0 H HIS A 108 18.260 -7.944 -6.064 1.00 70.23 H new ATOM 0 HA HIS A 108 18.665 -6.025 -3.900 1.00 4.54 H new ATOM 0 HB2 HIS A 108 18.157 -7.862 -2.444 1.00 64.14 H new ATOM 0 HB3 HIS A 108 16.967 -7.811 -3.730 1.00 64.14 H new ATOM 0 HD2 HIS A 108 17.547 -9.867 -5.830 1.00 51.23 H new ATOM 0 HE1 HIS A 108 19.411 -12.395 -2.982 1.00 5.34 H new ATOM 0 HE2 HIS A 108 18.403 -12.273 -5.314 1.00 72.24 H new ATOM 1792 N HIS A 109 21.091 -6.327 -3.497 1.00 3.30 N ATOM 1793 CA HIS A 109 22.536 -6.439 -3.274 1.00 23.41 C ATOM 1794 C HIS A 109 22.867 -7.497 -2.223 1.00 21.42 C ATOM 1795 O HIS A 109 22.003 -7.912 -1.449 1.00 42.33 O ATOM 1796 CB HIS A 109 23.124 -5.091 -2.827 1.00 23.02 C ATOM 1797 CG HIS A 109 22.772 -4.705 -1.415 1.00 10.02 C ATOM 1798 ND1 HIS A 109 23.499 -5.120 -0.316 1.00 63.13 N ATOM 1799 CD2 HIS A 109 21.770 -3.935 -0.924 1.00 5.22 C ATOM 1800 CE1 HIS A 109 22.964 -4.618 0.780 1.00 53.32 C ATOM 1801 NE2 HIS A 109 21.914 -3.896 0.443 1.00 21.12 N ATOM 0 H HIS A 109 20.688 -5.444 -3.184 1.00 3.30 H new ATOM 0 HA HIS A 109 22.980 -6.738 -4.224 1.00 23.41 H new ATOM 0 HB2 HIS A 109 24.209 -5.131 -2.922 1.00 23.02 H new ATOM 0 HB3 HIS A 109 22.773 -4.312 -3.504 1.00 23.02 H new ATOM 0 HD2 HIS A 109 21.000 -3.443 -1.500 1.00 5.22 H new ATOM 0 HE1 HIS A 109 23.326 -4.773 1.786 1.00 53.32 H new ATOM 0 HE2 HIS A 109 21.308 -3.391 1.090 1.00 21.12 H new ATOM 1810 N HIS A 110 24.130 -7.919 -2.204 1.00 33.10 N ATOM 1811 CA HIS A 110 24.643 -8.790 -1.150 1.00 10.04 C ATOM 1812 C HIS A 110 25.391 -7.934 -0.128 1.00 52.43 C ATOM 1813 O HIS A 110 26.606 -7.712 -0.301 1.00 38.11 O ATOM 1814 CB HIS A 110 25.571 -9.870 -1.732 1.00 45.41 C ATOM 1815 CG HIS A 110 24.911 -10.755 -2.747 1.00 50.12 C ATOM 1816 ND1 HIS A 110 25.365 -10.880 -4.042 1.00 41.53 N ATOM 1817 CD2 HIS A 110 23.834 -11.568 -2.650 1.00 23.12 C ATOM 1818 CE1 HIS A 110 24.597 -11.729 -4.695 1.00 51.42 C ATOM 1819 NE2 HIS A 110 23.659 -12.164 -3.876 1.00 4.01 N ATOM 1820 OXT HIS A 110 24.742 -7.434 0.813 1.00 38.11 O ATOM 0 H HIS A 110 24.820 -7.669 -2.912 1.00 33.10 H new ATOM 0 HA HIS A 110 23.811 -9.300 -0.665 1.00 10.04 H new ATOM 0 HB2 HIS A 110 26.432 -9.386 -2.192 1.00 45.41 H new ATOM 0 HB3 HIS A 110 25.950 -10.487 -0.917 1.00 45.41 H new ATOM 0 HD2 HIS A 110 23.224 -11.720 -1.772 1.00 23.12 H new ATOM 0 HE1 HIS A 110 24.716 -12.020 -5.728 1.00 51.42 H new ATOM 0 HE2 HIS A 110 22.925 -12.832 -4.113 1.00 4.01 H new TER 1829 HIS A 110