USER MOD reduce.3.24.130724 H: found=0, std=0, add=758, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 752 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 4 THR OG1 : rot -21:sc= -0.856 USER MOD Set 1.2: A 83 GLN : amide:sc= -0.622 K(o=-1.5,f=-0.26) USER MOD Single : A 1 MET CE :methyl 161:sc= 0 (180deg=-0.163) USER MOD Single : A 1 MET N :NH3+ 150:sc= 0.387 (180deg=-0.558!) USER MOD Single : A 3 THR OG1 : rot 152:sc= 0.0978 USER MOD Single : A 5 TYR OH : rot -130:sc= -3.19! USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 163:sc= -0.07 (180deg=-0.664) USER MOD Single : A 23 MET CE :methyl -109:sc= -4.72 (180deg=-14.5!) USER MOD Single : A 26 GLN : amide:sc= -1.5! C(o=-1.5!,f=-3.7!) USER MOD Single : A 27 ASN : amide:sc=-0.00264 X(o=-0.0026,f=0.074) USER MOD Single : A 28 LYS NZ :NH3+ -167:sc= 0.287 (180deg=0.25) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot -58:sc= 0.807 USER MOD Single : A 41 SER OG : rot 180:sc= 0.0146 USER MOD Single : A 44 MET CE :methyl -168:sc= -0.638 (180deg=-0.996) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 HIS : no HD1:sc= -2.23 K(o=-2.2,f=-5!) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -0.164 X(o=-0.16,f=-0.01) USER MOD Single : A 58 HIS : no HE2:sc= -0.389 K(o=-0.39,f=-1.4) USER MOD Single : A 59 THR OG1 : rot 53:sc= 0.332 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -2.58 K(o=-2.6,f=-3.1!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 HIS : no HD1:sc= -0.057 X(o=-0.057,f=0) USER MOD Single : A 70 SER OG : rot -45:sc= 0.927 USER MOD Single : A 72 HIS : no HD1:sc= -0.386 X(o=-0.39,f=-0.0049) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= -1.89 K(o=-1.9,f=-3!) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 92 LYS NZ :NH3+ -97:sc= -0.331 (180deg=-1.38!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.060 -1.593 -6.004 1.00 31.45 N ATOM 2 CA MET A 1 1.160 -0.999 -4.676 1.00 13.14 C ATOM 3 C MET A 1 1.781 0.392 -4.748 1.00 42.21 C ATOM 4 O MET A 1 2.075 0.895 -5.832 1.00 65.11 O ATOM 5 CB MET A 1 1.990 -1.894 -3.754 1.00 4.10 C ATOM 6 CG MET A 1 1.239 -3.118 -3.257 1.00 30.22 C ATOM 7 SD MET A 1 0.563 -2.893 -1.600 1.00 60.25 S ATOM 8 CE MET A 1 -1.166 -3.262 -1.887 1.00 70.24 C ATOM 0 H1 MET A 1 1.134 -2.628 -5.928 1.00 31.45 H new ATOM 0 H2 MET A 1 0.144 -1.342 -6.429 1.00 31.45 H new ATOM 0 H3 MET A 1 1.830 -1.234 -6.604 1.00 31.45 H new ATOM 0 HA MET A 1 0.153 -0.907 -4.270 1.00 13.14 H new ATOM 0 HB2 MET A 1 2.885 -2.218 -4.285 1.00 4.10 H new ATOM 0 HB3 MET A 1 2.323 -1.309 -2.896 1.00 4.10 H new ATOM 0 HG2 MET A 1 0.428 -3.347 -3.948 1.00 30.22 H new ATOM 0 HG3 MET A 1 1.911 -3.977 -3.258 1.00 30.22 H new ATOM 0 HE1 MET A 1 -1.650 -3.498 -0.939 1.00 70.24 H new ATOM 0 HE2 MET A 1 -1.653 -2.397 -2.338 1.00 70.24 H new ATOM 0 HE3 MET A 1 -1.249 -4.116 -2.559 1.00 70.24 H new ATOM 18 N ALA A 2 1.978 1.009 -3.587 1.00 72.14 N ATOM 19 CA ALA A 2 2.566 2.341 -3.520 1.00 73.00 C ATOM 20 C ALA A 2 3.889 2.396 -4.276 1.00 21.23 C ATOM 21 O ALA A 2 4.339 3.467 -4.684 1.00 65.21 O ATOM 22 CB ALA A 2 2.766 2.757 -2.070 1.00 71.22 C ATOM 0 H ALA A 2 1.739 0.607 -2.680 1.00 72.14 H new ATOM 0 HA ALA A 2 1.877 3.040 -3.995 1.00 73.00 H new ATOM 0 HB1 ALA A 2 3.206 3.754 -2.035 1.00 71.22 H new ATOM 0 HB2 ALA A 2 1.804 2.767 -1.558 1.00 71.22 H new ATOM 0 HB3 ALA A 2 3.432 2.049 -1.577 1.00 71.22 H new ATOM 28 N THR A 3 4.510 1.234 -4.458 1.00 54.35 N ATOM 29 CA THR A 3 5.782 1.150 -5.163 1.00 44.43 C ATOM 30 C THR A 3 5.723 1.889 -6.495 1.00 40.05 C ATOM 31 O THR A 3 6.424 2.881 -6.700 1.00 23.51 O ATOM 32 CB THR A 3 6.188 -0.314 -5.419 1.00 12.44 C ATOM 33 OG1 THR A 3 5.019 -1.124 -5.582 1.00 72.21 O ATOM 34 CG2 THR A 3 7.027 -0.851 -4.269 1.00 41.03 C ATOM 0 H THR A 3 4.152 0.338 -4.126 1.00 54.35 H new ATOM 0 HA THR A 3 6.529 1.620 -4.523 1.00 44.43 H new ATOM 0 HB THR A 3 6.784 -0.349 -6.331 1.00 12.44 H new ATOM 0 HG1 THR A 3 5.228 -1.887 -6.160 1.00 72.21 H new ATOM 0 HG21 THR A 3 7.302 -1.886 -4.472 1.00 41.03 H new ATOM 0 HG22 THR A 3 7.930 -0.249 -4.165 1.00 41.03 H new ATOM 0 HG23 THR A 3 6.451 -0.803 -3.345 1.00 41.03 H new ATOM 42 N THR A 4 4.881 1.401 -7.401 1.00 34.33 N ATOM 43 CA THR A 4 4.730 2.014 -8.714 1.00 11.30 C ATOM 44 C THR A 4 3.626 3.066 -8.706 1.00 63.11 C ATOM 45 O THR A 4 3.586 3.944 -9.568 1.00 60.03 O ATOM 46 CB THR A 4 4.413 0.962 -9.793 1.00 33.31 C ATOM 47 OG1 THR A 4 4.406 1.574 -11.087 1.00 64.45 O ATOM 48 CG2 THR A 4 3.066 0.306 -9.530 1.00 15.03 C ATOM 0 H THR A 4 4.293 0.582 -7.248 1.00 34.33 H new ATOM 0 HA THR A 4 5.681 2.491 -8.951 1.00 11.30 H new ATOM 0 HB THR A 4 5.186 0.195 -9.759 1.00 33.31 H new ATOM 0 HG1 THR A 4 4.262 2.539 -10.992 1.00 64.45 H new ATOM 0 HG21 THR A 4 2.864 -0.433 -10.305 1.00 15.03 H new ATOM 0 HG22 THR A 4 3.084 -0.184 -8.557 1.00 15.03 H new ATOM 0 HG23 THR A 4 2.284 1.065 -9.540 1.00 15.03 H new ATOM 56 N TYR A 5 2.733 2.972 -7.728 1.00 31.43 N ATOM 57 CA TYR A 5 1.627 3.914 -7.609 1.00 1.51 C ATOM 58 C TYR A 5 2.112 5.259 -7.075 1.00 63.22 C ATOM 59 O TYR A 5 1.840 6.306 -7.661 1.00 71.13 O ATOM 60 CB TYR A 5 0.544 3.349 -6.689 1.00 73.01 C ATOM 61 CG TYR A 5 -0.139 2.119 -7.243 1.00 20.44 C ATOM 62 CD1 TYR A 5 -0.213 1.899 -8.613 1.00 33.34 C ATOM 63 CD2 TYR A 5 -0.710 1.177 -6.396 1.00 74.21 C ATOM 64 CE1 TYR A 5 -0.837 0.776 -9.123 1.00 44.41 C ATOM 65 CE2 TYR A 5 -1.334 0.051 -6.898 1.00 33.04 C ATOM 66 CZ TYR A 5 -1.395 -0.145 -8.262 1.00 11.44 C ATOM 67 OH TYR A 5 -2.017 -1.264 -8.765 1.00 70.11 O ATOM 0 H TYR A 5 2.753 2.252 -7.005 1.00 31.43 H new ATOM 0 HA TYR A 5 1.206 4.068 -8.603 1.00 1.51 H new ATOM 0 HB2 TYR A 5 0.990 3.104 -5.725 1.00 73.01 H new ATOM 0 HB3 TYR A 5 -0.205 4.120 -6.507 1.00 73.01 H new ATOM 0 HD1 TYR A 5 0.224 2.617 -9.291 1.00 33.34 H new ATOM 0 HD2 TYR A 5 -0.665 1.327 -5.327 1.00 74.21 H new ATOM 0 HE1 TYR A 5 -0.887 0.621 -10.191 1.00 44.41 H new ATOM 0 HE2 TYR A 5 -1.772 -0.672 -6.226 1.00 33.04 H new ATOM 0 HH TYR A 5 -2.901 -1.359 -8.354 1.00 70.11 H new ATOM 77 N GLU A 6 2.834 5.220 -5.959 1.00 74.32 N ATOM 78 CA GLU A 6 3.357 6.435 -5.346 1.00 21.52 C ATOM 79 C GLU A 6 4.387 7.102 -6.253 1.00 53.00 C ATOM 80 O GLU A 6 4.677 8.289 -6.110 1.00 51.25 O ATOM 81 CB GLU A 6 3.988 6.116 -3.988 1.00 55.24 C ATOM 82 CG GLU A 6 4.057 7.312 -3.054 1.00 10.40 C ATOM 83 CD GLU A 6 3.175 7.149 -1.831 1.00 42.41 C ATOM 84 OE1 GLU A 6 1.936 7.158 -1.989 1.00 3.15 O ATOM 85 OE2 GLU A 6 3.723 7.014 -0.718 1.00 24.45 O ATOM 0 H GLU A 6 3.070 4.361 -5.462 1.00 74.32 H new ATOM 0 HA GLU A 6 2.526 7.125 -5.200 1.00 21.52 H new ATOM 0 HB2 GLU A 6 3.415 5.323 -3.508 1.00 55.24 H new ATOM 0 HB3 GLU A 6 4.995 5.730 -4.146 1.00 55.24 H new ATOM 0 HG2 GLU A 6 5.089 7.461 -2.736 1.00 10.40 H new ATOM 0 HG3 GLU A 6 3.758 8.209 -3.596 1.00 10.40 H new ATOM 92 N GLU A 7 4.935 6.329 -7.185 1.00 60.11 N ATOM 93 CA GLU A 7 5.933 6.845 -8.114 1.00 62.05 C ATOM 94 C GLU A 7 5.267 7.461 -9.342 1.00 21.24 C ATOM 95 O GLU A 7 5.727 8.474 -9.869 1.00 22.22 O ATOM 96 CB GLU A 7 6.887 5.729 -8.545 1.00 22.33 C ATOM 97 CG GLU A 7 8.246 6.232 -9.003 1.00 74.01 C ATOM 98 CD GLU A 7 9.019 5.191 -9.789 1.00 33.21 C ATOM 99 OE1 GLU A 7 8.529 4.047 -9.898 1.00 64.12 O ATOM 100 OE2 GLU A 7 10.112 5.519 -10.294 1.00 44.20 O ATOM 0 H GLU A 7 4.705 5.344 -7.317 1.00 60.11 H new ATOM 0 HA GLU A 7 6.501 7.621 -7.601 1.00 62.05 H new ATOM 0 HB2 GLU A 7 7.026 5.040 -7.712 1.00 22.33 H new ATOM 0 HB3 GLU A 7 6.427 5.162 -9.355 1.00 22.33 H new ATOM 0 HG2 GLU A 7 8.111 7.121 -9.619 1.00 74.01 H new ATOM 0 HG3 GLU A 7 8.830 6.533 -8.133 1.00 74.01 H new ATOM 107 N PHE A 8 4.181 6.841 -9.791 1.00 40.15 N ATOM 108 CA PHE A 8 3.452 7.326 -10.957 1.00 54.33 C ATOM 109 C PHE A 8 2.548 8.498 -10.585 1.00 4.33 C ATOM 110 O PHE A 8 2.415 9.459 -11.343 1.00 24.35 O ATOM 111 CB PHE A 8 2.617 6.199 -11.569 1.00 22.02 C ATOM 112 CG PHE A 8 3.285 5.522 -12.731 1.00 71.23 C ATOM 113 CD1 PHE A 8 2.871 5.776 -14.029 1.00 70.40 C ATOM 114 CD2 PHE A 8 4.326 4.631 -12.526 1.00 61.24 C ATOM 115 CE1 PHE A 8 3.483 5.154 -15.101 1.00 45.42 C ATOM 116 CE2 PHE A 8 4.943 4.007 -13.594 1.00 54.15 C ATOM 117 CZ PHE A 8 4.520 4.268 -14.883 1.00 40.13 C ATOM 0 H PHE A 8 3.786 6.002 -9.365 1.00 40.15 H new ATOM 0 HA PHE A 8 4.180 7.670 -11.692 1.00 54.33 H new ATOM 0 HB2 PHE A 8 2.404 5.457 -10.800 1.00 22.02 H new ATOM 0 HB3 PHE A 8 1.659 6.604 -11.896 1.00 22.02 H new ATOM 0 HD1 PHE A 8 2.061 6.468 -14.205 1.00 70.40 H new ATOM 0 HD2 PHE A 8 4.659 4.422 -11.520 1.00 61.24 H new ATOM 0 HE1 PHE A 8 3.151 5.360 -16.108 1.00 45.42 H new ATOM 0 HE2 PHE A 8 5.755 3.316 -13.421 1.00 54.15 H new ATOM 0 HZ PHE A 8 4.999 3.780 -15.719 1.00 40.13 H new ATOM 127 N ALA A 9 1.929 8.411 -9.412 1.00 23.11 N ATOM 128 CA ALA A 9 1.040 9.464 -8.937 1.00 71.43 C ATOM 129 C ALA A 9 1.805 10.759 -8.691 1.00 3.33 C ATOM 130 O ALA A 9 1.221 11.842 -8.670 1.00 11.11 O ATOM 131 CB ALA A 9 0.327 9.020 -7.668 1.00 71.05 C ATOM 0 H ALA A 9 2.027 7.622 -8.773 1.00 23.11 H new ATOM 0 HA ALA A 9 0.296 9.654 -9.711 1.00 71.43 H new ATOM 0 HB1 ALA A 9 -0.334 9.816 -7.324 1.00 71.05 H new ATOM 0 HB2 ALA A 9 -0.260 8.125 -7.875 1.00 71.05 H new ATOM 0 HB3 ALA A 9 1.063 8.800 -6.895 1.00 71.05 H new ATOM 137 N ALA A 10 3.116 10.641 -8.504 1.00 33.43 N ATOM 138 CA ALA A 10 3.961 11.803 -8.260 1.00 31.22 C ATOM 139 C ALA A 10 4.483 12.386 -9.568 1.00 63.04 C ATOM 140 O ALA A 10 4.737 13.587 -9.668 1.00 32.31 O ATOM 141 CB ALA A 10 5.119 11.431 -7.346 1.00 21.30 C ATOM 0 H ALA A 10 3.616 9.752 -8.517 1.00 33.43 H new ATOM 0 HA ALA A 10 3.356 12.565 -7.769 1.00 31.22 H new ATOM 0 HB1 ALA A 10 5.742 12.308 -7.172 1.00 21.30 H new ATOM 0 HB2 ALA A 10 4.730 11.068 -6.395 1.00 21.30 H new ATOM 0 HB3 ALA A 10 5.716 10.649 -7.815 1.00 21.30 H new ATOM 147 N LYS A 11 4.643 11.529 -10.571 1.00 21.53 N ATOM 148 CA LYS A 11 5.135 11.958 -11.874 1.00 61.15 C ATOM 149 C LYS A 11 3.987 12.428 -12.761 1.00 53.34 C ATOM 150 O LYS A 11 4.160 13.312 -13.602 1.00 73.20 O ATOM 151 CB LYS A 11 5.888 10.815 -12.560 1.00 11.31 C ATOM 152 CG LYS A 11 7.379 11.068 -12.701 1.00 20.21 C ATOM 153 CD LYS A 11 7.905 10.569 -14.037 1.00 1.55 C ATOM 154 CE LYS A 11 9.321 11.062 -14.297 1.00 35.22 C ATOM 155 NZ LYS A 11 9.644 11.076 -15.750 1.00 65.32 N ATOM 0 H LYS A 11 4.439 10.532 -10.506 1.00 21.53 H new ATOM 0 HA LYS A 11 5.818 12.794 -11.719 1.00 61.15 H new ATOM 0 HB2 LYS A 11 5.736 9.898 -11.991 1.00 11.31 H new ATOM 0 HB3 LYS A 11 5.460 10.651 -13.549 1.00 11.31 H new ATOM 0 HG2 LYS A 11 7.579 12.135 -12.606 1.00 20.21 H new ATOM 0 HG3 LYS A 11 7.912 10.571 -11.890 1.00 20.21 H new ATOM 0 HD2 LYS A 11 7.889 9.479 -14.051 1.00 1.55 H new ATOM 0 HD3 LYS A 11 7.248 10.908 -14.838 1.00 1.55 H new ATOM 0 HE2 LYS A 11 9.437 12.066 -13.889 1.00 35.22 H new ATOM 0 HE3 LYS A 11 10.031 10.422 -13.773 1.00 35.22 H new ATOM 0 HZ1 LYS A 11 10.617 11.418 -15.886 1.00 65.32 H new ATOM 0 HZ2 LYS A 11 9.558 10.113 -16.134 1.00 65.32 H new ATOM 0 HZ3 LYS A 11 8.983 11.707 -16.247 1.00 65.32 H new ATOM 169 N LEU A 12 2.814 11.834 -12.568 1.00 44.10 N ATOM 170 CA LEU A 12 1.636 12.194 -13.350 1.00 23.33 C ATOM 171 C LEU A 12 1.133 13.582 -12.968 1.00 52.25 C ATOM 172 O LEU A 12 0.490 14.262 -13.769 1.00 21.31 O ATOM 173 CB LEU A 12 0.527 11.161 -13.141 1.00 11.41 C ATOM 174 CG LEU A 12 0.436 10.052 -14.190 1.00 10.52 C ATOM 175 CD1 LEU A 12 -0.188 10.581 -15.472 1.00 71.52 C ATOM 176 CD2 LEU A 12 1.813 9.466 -14.467 1.00 34.15 C ATOM 0 H LEU A 12 2.653 11.101 -11.877 1.00 44.10 H new ATOM 0 HA LEU A 12 1.918 12.207 -14.403 1.00 23.33 H new ATOM 0 HB2 LEU A 12 0.668 10.699 -12.164 1.00 11.41 H new ATOM 0 HB3 LEU A 12 -0.429 11.684 -13.111 1.00 11.41 H new ATOM 0 HG LEU A 12 -0.202 9.259 -13.799 1.00 10.52 H new ATOM 0 HD11 LEU A 12 -0.245 9.778 -16.207 1.00 71.52 H new ATOM 0 HD12 LEU A 12 -1.191 10.953 -15.262 1.00 71.52 H new ATOM 0 HD13 LEU A 12 0.424 11.392 -15.867 1.00 71.52 H new ATOM 0 HD21 LEU A 12 1.729 8.678 -15.216 1.00 34.15 H new ATOM 0 HD22 LEU A 12 2.474 10.250 -14.837 1.00 34.15 H new ATOM 0 HD23 LEU A 12 2.223 9.050 -13.547 1.00 34.15 H new ATOM 188 N ASP A 13 1.431 13.998 -11.743 1.00 21.25 N ATOM 189 CA ASP A 13 1.012 15.307 -11.256 1.00 13.01 C ATOM 190 C ASP A 13 1.698 16.423 -12.037 1.00 64.33 C ATOM 191 O ASP A 13 1.333 17.592 -11.919 1.00 40.42 O ATOM 192 CB ASP A 13 1.324 15.445 -9.765 1.00 22.30 C ATOM 193 CG ASP A 13 0.087 15.738 -8.939 1.00 23.11 C ATOM 194 OD1 ASP A 13 -0.141 15.026 -7.938 1.00 71.25 O ATOM 195 OD2 ASP A 13 -0.652 16.680 -9.292 1.00 40.12 O ATOM 0 H ASP A 13 1.962 13.447 -11.068 1.00 21.25 H new ATOM 0 HA ASP A 13 -0.065 15.394 -11.403 1.00 13.01 H new ATOM 0 HB2 ASP A 13 1.787 14.525 -9.407 1.00 22.30 H new ATOM 0 HB3 ASP A 13 2.051 16.244 -9.621 1.00 22.30 H new ATOM 200 N ARG A 14 2.695 16.053 -12.835 1.00 23.14 N ATOM 201 CA ARG A 14 3.435 17.023 -13.634 1.00 33.34 C ATOM 202 C ARG A 14 3.033 16.936 -15.103 1.00 71.30 C ATOM 203 O ARG A 14 3.519 17.701 -15.937 1.00 14.10 O ATOM 204 CB ARG A 14 4.940 16.791 -13.491 1.00 1.11 C ATOM 205 CG ARG A 14 5.658 17.898 -12.736 1.00 33.02 C ATOM 206 CD ARG A 14 7.039 17.456 -12.279 1.00 31.43 C ATOM 207 NE ARG A 14 7.256 17.718 -10.858 1.00 55.14 N ATOM 208 CZ ARG A 14 8.206 17.131 -10.139 1.00 75.01 C ATOM 209 NH1 ARG A 14 9.023 16.253 -10.704 1.00 54.14 N ATOM 210 NH2 ARG A 14 8.340 17.422 -8.852 1.00 11.15 N ATOM 0 H ARG A 14 3.009 15.089 -12.945 1.00 23.14 H new ATOM 0 HA ARG A 14 3.192 18.020 -13.267 1.00 33.34 H new ATOM 0 HB2 ARG A 14 5.106 15.845 -12.976 1.00 1.11 H new ATOM 0 HB3 ARG A 14 5.380 16.695 -14.484 1.00 1.11 H new ATOM 0 HG2 ARG A 14 5.749 18.776 -13.375 1.00 33.02 H new ATOM 0 HG3 ARG A 14 5.065 18.194 -11.871 1.00 33.02 H new ATOM 0 HD2 ARG A 14 7.161 16.391 -12.474 1.00 31.43 H new ATOM 0 HD3 ARG A 14 7.798 17.976 -12.863 1.00 31.43 H new ATOM 0 HE ARG A 14 6.644 18.389 -10.393 1.00 55.14 H new ATOM 0 HH11 ARG A 14 8.923 16.027 -11.694 1.00 54.14 H new ATOM 0 HH12 ARG A 14 9.752 15.804 -10.149 1.00 54.14 H new ATOM 0 HH21 ARG A 14 7.713 18.097 -8.414 1.00 11.15 H new ATOM 0 HH22 ARG A 14 9.070 16.971 -8.300 1.00 11.15 H new ATOM 224 N LEU A 15 2.144 15.999 -15.413 1.00 71.43 N ATOM 225 CA LEU A 15 1.677 15.811 -16.782 1.00 74.44 C ATOM 226 C LEU A 15 0.199 16.167 -16.907 1.00 53.01 C ATOM 227 O LEU A 15 -0.218 16.797 -17.879 1.00 53.20 O ATOM 228 CB LEU A 15 1.903 14.364 -17.226 1.00 2.25 C ATOM 229 CG LEU A 15 3.079 13.638 -16.571 1.00 43.22 C ATOM 230 CD1 LEU A 15 3.231 12.239 -17.148 1.00 53.32 C ATOM 231 CD2 LEU A 15 4.364 14.433 -16.752 1.00 0.53 C ATOM 0 H LEU A 15 1.732 15.358 -14.735 1.00 71.43 H new ATOM 0 HA LEU A 15 2.249 16.477 -17.429 1.00 74.44 H new ATOM 0 HB2 LEU A 15 0.994 13.797 -17.025 1.00 2.25 H new ATOM 0 HB3 LEU A 15 2.052 14.355 -18.306 1.00 2.25 H new ATOM 0 HG LEU A 15 2.877 13.549 -15.504 1.00 43.22 H new ATOM 0 HD11 LEU A 15 4.073 11.738 -16.670 1.00 53.32 H new ATOM 0 HD12 LEU A 15 2.319 11.670 -16.967 1.00 53.32 H new ATOM 0 HD13 LEU A 15 3.410 12.306 -18.221 1.00 53.32 H new ATOM 0 HD21 LEU A 15 5.190 13.902 -16.280 1.00 0.53 H new ATOM 0 HD22 LEU A 15 4.571 14.553 -17.815 1.00 0.53 H new ATOM 0 HD23 LEU A 15 4.253 15.414 -16.291 1.00 0.53 H new ATOM 243 N ASP A 16 -0.588 15.762 -15.916 1.00 62.53 N ATOM 244 CA ASP A 16 -2.019 16.041 -15.913 1.00 71.21 C ATOM 245 C ASP A 16 -2.672 15.547 -17.200 1.00 71.32 C ATOM 246 O ASP A 16 -3.562 16.198 -17.746 1.00 41.31 O ATOM 247 CB ASP A 16 -2.267 17.540 -15.744 1.00 14.53 C ATOM 248 CG ASP A 16 -1.988 18.018 -14.332 1.00 63.22 C ATOM 249 OD1 ASP A 16 -2.341 19.173 -14.015 1.00 51.12 O ATOM 250 OD2 ASP A 16 -1.416 17.236 -13.544 1.00 73.22 O ATOM 0 H ASP A 16 -0.259 15.239 -15.104 1.00 62.53 H new ATOM 0 HA ASP A 16 -2.466 15.509 -15.073 1.00 71.21 H new ATOM 0 HB2 ASP A 16 -1.636 18.091 -16.442 1.00 14.53 H new ATOM 0 HB3 ASP A 16 -3.301 17.766 -16.003 1.00 14.53 H new ATOM 255 N ALA A 17 -2.223 14.392 -17.680 1.00 21.41 N ATOM 256 CA ALA A 17 -2.764 13.810 -18.902 1.00 60.10 C ATOM 257 C ALA A 17 -3.782 12.719 -18.587 1.00 23.11 C ATOM 258 O ALA A 17 -4.966 12.855 -18.894 1.00 5.22 O ATOM 259 CB ALA A 17 -1.640 13.253 -19.764 1.00 15.21 C ATOM 0 H ALA A 17 -1.486 13.841 -17.241 1.00 21.41 H new ATOM 0 HA ALA A 17 -3.275 14.598 -19.455 1.00 60.10 H new ATOM 0 HB1 ALA A 17 -2.058 12.821 -20.673 1.00 15.21 H new ATOM 0 HB2 ALA A 17 -0.951 14.056 -20.027 1.00 15.21 H new ATOM 0 HB3 ALA A 17 -1.104 12.482 -19.210 1.00 15.21 H new ATOM 265 N GLU A 18 -3.312 11.637 -17.973 1.00 51.15 N ATOM 266 CA GLU A 18 -4.183 10.522 -17.619 1.00 3.42 C ATOM 267 C GLU A 18 -4.791 10.726 -16.234 1.00 51.33 C ATOM 268 O GLU A 18 -6.011 10.800 -16.085 1.00 0.42 O ATOM 269 CB GLU A 18 -3.404 9.206 -17.657 1.00 22.12 C ATOM 270 CG GLU A 18 -4.107 8.062 -16.945 1.00 42.04 C ATOM 271 CD GLU A 18 -5.584 7.986 -17.281 1.00 3.23 C ATOM 272 OE1 GLU A 18 -5.955 8.369 -18.410 1.00 73.31 O ATOM 273 OE2 GLU A 18 -6.367 7.545 -16.415 1.00 15.14 O ATOM 0 H GLU A 18 -2.335 11.509 -17.711 1.00 51.15 H new ATOM 0 HA GLU A 18 -4.991 10.479 -18.349 1.00 3.42 H new ATOM 0 HB2 GLU A 18 -3.232 8.925 -18.696 1.00 22.12 H new ATOM 0 HB3 GLU A 18 -2.425 9.359 -17.202 1.00 22.12 H new ATOM 0 HG2 GLU A 18 -3.628 7.121 -17.216 1.00 42.04 H new ATOM 0 HG3 GLU A 18 -3.989 8.182 -15.868 1.00 42.04 H new ATOM 280 N PHE A 19 -3.932 10.816 -15.224 1.00 71.34 N ATOM 281 CA PHE A 19 -4.384 11.009 -13.851 1.00 42.44 C ATOM 282 C PHE A 19 -5.281 12.238 -13.742 1.00 55.45 C ATOM 283 O PHE A 19 -6.075 12.360 -12.810 1.00 21.03 O ATOM 284 CB PHE A 19 -3.184 11.155 -12.913 1.00 40.41 C ATOM 285 CG PHE A 19 -2.724 9.854 -12.321 1.00 71.11 C ATOM 286 CD1 PHE A 19 -2.401 9.765 -10.977 1.00 31.23 C ATOM 287 CD2 PHE A 19 -2.614 8.719 -13.109 1.00 54.52 C ATOM 288 CE1 PHE A 19 -1.978 8.569 -10.429 1.00 21.45 C ATOM 289 CE2 PHE A 19 -2.192 7.521 -12.567 1.00 33.54 C ATOM 290 CZ PHE A 19 -1.872 7.445 -11.225 1.00 15.20 C ATOM 0 H PHE A 19 -2.919 10.758 -15.330 1.00 71.34 H new ATOM 0 HA PHE A 19 -4.961 10.132 -13.558 1.00 42.44 H new ATOM 0 HB2 PHE A 19 -2.358 11.608 -13.461 1.00 40.41 H new ATOM 0 HB3 PHE A 19 -3.445 11.840 -12.106 1.00 40.41 H new ATOM 0 HD1 PHE A 19 -2.481 10.641 -10.350 1.00 31.23 H new ATOM 0 HD2 PHE A 19 -2.861 8.772 -14.159 1.00 54.52 H new ATOM 0 HE1 PHE A 19 -1.730 8.513 -9.379 1.00 21.45 H new ATOM 0 HE2 PHE A 19 -2.112 6.644 -13.192 1.00 33.54 H new ATOM 0 HZ PHE A 19 -1.540 6.509 -10.800 1.00 15.20 H new ATOM 300 N ALA A 20 -5.149 13.148 -14.703 1.00 21.52 N ATOM 301 CA ALA A 20 -5.948 14.366 -14.716 1.00 51.44 C ATOM 302 C ALA A 20 -7.403 14.065 -15.059 1.00 51.11 C ATOM 303 O ALA A 20 -8.322 14.584 -14.425 1.00 2.13 O ATOM 304 CB ALA A 20 -5.367 15.367 -15.704 1.00 55.25 C ATOM 0 H ALA A 20 -4.496 13.064 -15.482 1.00 21.52 H new ATOM 0 HA ALA A 20 -5.920 14.800 -13.717 1.00 51.44 H new ATOM 0 HB1 ALA A 20 -5.974 16.273 -15.704 1.00 55.25 H new ATOM 0 HB2 ALA A 20 -4.346 15.614 -15.413 1.00 55.25 H new ATOM 0 HB3 ALA A 20 -5.365 14.932 -16.704 1.00 55.25 H new ATOM 310 N LYS A 21 -7.607 13.223 -16.067 1.00 4.50 N ATOM 311 CA LYS A 21 -8.950 12.852 -16.495 1.00 31.23 C ATOM 312 C LYS A 21 -9.485 11.693 -15.660 1.00 75.43 C ATOM 313 O LYS A 21 -10.682 11.403 -15.676 1.00 51.22 O ATOM 314 CB LYS A 21 -8.948 12.469 -17.977 1.00 12.45 C ATOM 315 CG LYS A 21 -8.995 13.664 -18.913 1.00 42.21 C ATOM 316 CD LYS A 21 -10.424 14.083 -19.212 1.00 75.24 C ATOM 317 CE LYS A 21 -10.837 13.690 -20.623 1.00 4.21 C ATOM 318 NZ LYS A 21 -12.244 14.076 -20.917 1.00 54.32 N ATOM 0 H LYS A 21 -6.858 12.785 -16.603 1.00 4.50 H new ATOM 0 HA LYS A 21 -9.602 13.713 -16.350 1.00 31.23 H new ATOM 0 HB2 LYS A 21 -8.053 11.885 -18.192 1.00 12.45 H new ATOM 0 HB3 LYS A 21 -9.805 11.826 -18.179 1.00 12.45 H new ATOM 0 HG2 LYS A 21 -8.456 14.499 -18.465 1.00 42.21 H new ATOM 0 HG3 LYS A 21 -8.485 13.418 -19.844 1.00 42.21 H new ATOM 0 HD2 LYS A 21 -11.098 13.619 -18.492 1.00 75.24 H new ATOM 0 HD3 LYS A 21 -10.521 15.162 -19.091 1.00 75.24 H new ATOM 0 HE2 LYS A 21 -10.172 14.167 -21.342 1.00 4.21 H new ATOM 0 HE3 LYS A 21 -10.722 12.613 -20.748 1.00 4.21 H new ATOM 0 HZ1 LYS A 21 -12.487 13.791 -21.887 1.00 54.32 H new ATOM 0 HZ2 LYS A 21 -12.882 13.601 -20.247 1.00 54.32 H new ATOM 0 HZ3 LYS A 21 -12.348 15.106 -20.822 1.00 54.32 H new ATOM 332 N LYS A 22 -8.592 11.033 -14.931 1.00 34.42 N ATOM 333 CA LYS A 22 -8.975 9.907 -14.087 1.00 64.52 C ATOM 334 C LYS A 22 -9.301 10.373 -12.672 1.00 73.01 C ATOM 335 O LYS A 22 -10.222 9.860 -12.037 1.00 53.50 O ATOM 336 CB LYS A 22 -7.851 8.869 -14.047 1.00 22.53 C ATOM 337 CG LYS A 22 -8.344 7.434 -14.127 1.00 13.34 C ATOM 338 CD LYS A 22 -9.064 7.164 -15.437 1.00 43.35 C ATOM 339 CE LYS A 22 -10.429 6.535 -15.205 1.00 25.41 C ATOM 340 NZ LYS A 22 -11.525 7.538 -15.294 1.00 50.24 N ATOM 0 H LYS A 22 -7.597 11.258 -14.907 1.00 34.42 H new ATOM 0 HA LYS A 22 -9.868 9.452 -14.515 1.00 64.52 H new ATOM 0 HB2 LYS A 22 -7.166 9.056 -14.874 1.00 22.53 H new ATOM 0 HB3 LYS A 22 -7.282 8.998 -13.127 1.00 22.53 H new ATOM 0 HG2 LYS A 22 -7.499 6.752 -14.028 1.00 13.34 H new ATOM 0 HG3 LYS A 22 -9.016 7.232 -13.293 1.00 13.34 H new ATOM 0 HD2 LYS A 22 -9.181 8.097 -15.988 1.00 43.35 H new ATOM 0 HD3 LYS A 22 -8.458 6.503 -16.056 1.00 43.35 H new ATOM 0 HE2 LYS A 22 -10.596 5.749 -15.941 1.00 25.41 H new ATOM 0 HE3 LYS A 22 -10.449 6.062 -14.223 1.00 25.41 H new ATOM 0 HZ1 LYS A 22 -12.434 7.049 -15.419 1.00 50.24 H new ATOM 0 HZ2 LYS A 22 -11.552 8.101 -14.420 1.00 50.24 H new ATOM 0 HZ3 LYS A 22 -11.356 8.166 -16.105 1.00 50.24 H new ATOM 354 N MET A 23 -8.541 11.349 -12.185 1.00 74.43 N ATOM 355 CA MET A 23 -8.753 11.885 -10.846 1.00 41.50 C ATOM 356 C MET A 23 -10.138 12.512 -10.724 1.00 35.41 C ATOM 357 O MET A 23 -10.698 12.593 -9.631 1.00 22.11 O ATOM 358 CB MET A 23 -7.680 12.924 -10.515 1.00 1.54 C ATOM 359 CG MET A 23 -7.782 13.474 -9.101 1.00 21.42 C ATOM 360 SD MET A 23 -7.513 12.209 -7.844 1.00 13.34 S ATOM 361 CE MET A 23 -5.895 11.603 -8.313 1.00 45.41 C ATOM 0 H MET A 23 -7.774 11.784 -12.697 1.00 74.43 H new ATOM 0 HA MET A 23 -8.683 11.061 -10.136 1.00 41.50 H new ATOM 0 HB2 MET A 23 -6.696 12.474 -10.651 1.00 1.54 H new ATOM 0 HB3 MET A 23 -7.754 13.749 -11.223 1.00 1.54 H new ATOM 0 HG2 MET A 23 -7.050 14.271 -8.971 1.00 21.42 H new ATOM 0 HG3 MET A 23 -8.767 13.919 -8.958 1.00 21.42 H new ATOM 0 HE1 MET A 23 -5.989 10.601 -8.731 1.00 45.41 H new ATOM 0 HE2 MET A 23 -5.459 12.268 -9.059 1.00 45.41 H new ATOM 0 HE3 MET A 23 -5.250 11.571 -7.435 1.00 45.41 H new ATOM 371 N GLU A 24 -10.686 12.952 -11.852 1.00 44.44 N ATOM 372 CA GLU A 24 -12.005 13.572 -11.870 1.00 14.14 C ATOM 373 C GLU A 24 -13.100 12.526 -11.680 1.00 11.01 C ATOM 374 O GLU A 24 -13.996 12.694 -10.853 1.00 25.53 O ATOM 375 CB GLU A 24 -12.224 14.322 -13.185 1.00 50.22 C ATOM 376 CG GLU A 24 -12.736 15.740 -12.999 1.00 54.53 C ATOM 377 CD GLU A 24 -14.238 15.796 -12.795 1.00 1.31 C ATOM 378 OE1 GLU A 24 -14.674 16.301 -11.739 1.00 22.11 O ATOM 379 OE2 GLU A 24 -14.977 15.335 -13.690 1.00 4.51 O ATOM 0 H GLU A 24 -10.237 12.890 -12.766 1.00 44.44 H new ATOM 0 HA GLU A 24 -12.056 14.281 -11.044 1.00 14.14 H new ATOM 0 HB2 GLU A 24 -11.284 14.353 -13.736 1.00 50.22 H new ATOM 0 HB3 GLU A 24 -12.934 13.766 -13.797 1.00 50.22 H new ATOM 0 HG2 GLU A 24 -12.239 16.192 -12.140 1.00 54.53 H new ATOM 0 HG3 GLU A 24 -12.469 16.336 -13.872 1.00 54.53 H new ATOM 386 N GLU A 25 -13.020 11.447 -12.453 1.00 53.50 N ATOM 387 CA GLU A 25 -14.005 10.375 -12.371 1.00 0.10 C ATOM 388 C GLU A 25 -13.635 9.379 -11.275 1.00 51.53 C ATOM 389 O GLU A 25 -14.344 8.399 -11.049 1.00 44.03 O ATOM 390 CB GLU A 25 -14.118 9.652 -13.715 1.00 10.50 C ATOM 391 CG GLU A 25 -15.156 10.257 -14.646 1.00 4.22 C ATOM 392 CD GLU A 25 -15.697 9.254 -15.646 1.00 11.30 C ATOM 393 OE1 GLU A 25 -14.902 8.437 -16.155 1.00 20.41 O ATOM 394 OE2 GLU A 25 -16.915 9.287 -15.920 1.00 42.10 O ATOM 0 H GLU A 25 -12.284 11.292 -13.142 1.00 53.50 H new ATOM 0 HA GLU A 25 -14.969 10.820 -12.124 1.00 0.10 H new ATOM 0 HB2 GLU A 25 -13.146 9.667 -14.209 1.00 10.50 H new ATOM 0 HB3 GLU A 25 -14.368 8.606 -13.536 1.00 10.50 H new ATOM 0 HG2 GLU A 25 -15.980 10.656 -14.055 1.00 4.22 H new ATOM 0 HG3 GLU A 25 -14.713 11.096 -15.182 1.00 4.22 H new ATOM 401 N GLN A 26 -12.521 9.639 -10.599 1.00 45.44 N ATOM 402 CA GLN A 26 -12.056 8.766 -9.529 1.00 23.34 C ATOM 403 C GLN A 26 -13.100 8.658 -8.422 1.00 61.43 C ATOM 404 O GLN A 26 -13.201 7.633 -7.749 1.00 71.12 O ATOM 405 CB GLN A 26 -10.738 9.286 -8.953 1.00 5.20 C ATOM 406 CG GLN A 26 -10.919 10.346 -7.879 1.00 13.15 C ATOM 407 CD GLN A 26 -11.111 9.750 -6.498 1.00 11.43 C ATOM 408 OE1 GLN A 26 -10.832 8.572 -6.273 1.00 10.40 O ATOM 409 NE2 GLN A 26 -11.590 10.563 -5.563 1.00 43.42 N ATOM 0 H GLN A 26 -11.924 10.447 -10.774 1.00 45.44 H new ATOM 0 HA GLN A 26 -11.894 7.774 -9.950 1.00 23.34 H new ATOM 0 HB2 GLN A 26 -10.179 8.449 -8.535 1.00 5.20 H new ATOM 0 HB3 GLN A 26 -10.136 9.700 -9.762 1.00 5.20 H new ATOM 0 HG2 GLN A 26 -10.048 11.001 -7.870 1.00 13.15 H new ATOM 0 HG3 GLN A 26 -11.781 10.965 -8.127 1.00 13.15 H new ATOM 0 HE21 GLN A 26 -11.808 11.533 -5.793 1.00 43.42 H new ATOM 0 HE22 GLN A 26 -11.740 10.218 -4.615 1.00 43.42 H new ATOM 418 N ASN A 27 -13.874 9.722 -8.240 1.00 51.50 N ATOM 419 CA ASN A 27 -14.910 9.747 -7.214 1.00 55.42 C ATOM 420 C ASN A 27 -15.893 8.596 -7.405 1.00 64.40 C ATOM 421 O ASN A 27 -16.417 8.045 -6.437 1.00 23.43 O ATOM 422 CB ASN A 27 -15.659 11.081 -7.248 1.00 41.41 C ATOM 423 CG ASN A 27 -16.298 11.420 -5.915 1.00 71.21 C ATOM 424 OD1 ASN A 27 -16.952 10.580 -5.296 1.00 65.34 O ATOM 425 ND2 ASN A 27 -16.112 12.656 -5.467 1.00 20.23 N ATOM 0 H ASN A 27 -13.804 10.578 -8.789 1.00 51.50 H new ATOM 0 HA ASN A 27 -14.427 9.633 -6.243 1.00 55.42 H new ATOM 0 HB2 ASN A 27 -14.968 11.876 -7.529 1.00 41.41 H new ATOM 0 HB3 ASN A 27 -16.430 11.042 -8.018 1.00 41.41 H new ATOM 0 HD21 ASN A 27 -16.518 12.942 -4.576 1.00 20.23 H new ATOM 0 HD22 ASN A 27 -15.563 13.319 -6.013 1.00 20.23 H new ATOM 432 N LYS A 28 -16.137 8.236 -8.660 1.00 73.25 N ATOM 433 CA LYS A 28 -17.055 7.149 -8.980 1.00 65.54 C ATOM 434 C LYS A 28 -16.343 5.801 -8.919 1.00 32.44 C ATOM 435 O LYS A 28 -16.794 4.881 -8.236 1.00 35.11 O ATOM 436 CB LYS A 28 -17.658 7.355 -10.372 1.00 2.44 C ATOM 437 CG LYS A 28 -18.246 8.740 -10.580 1.00 0.23 C ATOM 438 CD LYS A 28 -17.595 9.452 -11.754 1.00 75.32 C ATOM 439 CE LYS A 28 -18.521 10.500 -12.353 1.00 21.21 C ATOM 440 NZ LYS A 28 -18.947 10.140 -13.734 1.00 2.03 N ATOM 0 H LYS A 28 -15.712 8.681 -9.473 1.00 73.25 H new ATOM 0 HA LYS A 28 -17.855 7.153 -8.240 1.00 65.54 H new ATOM 0 HB2 LYS A 28 -16.887 7.180 -11.122 1.00 2.44 H new ATOM 0 HB3 LYS A 28 -18.437 6.610 -10.535 1.00 2.44 H new ATOM 0 HG2 LYS A 28 -19.319 8.658 -10.753 1.00 0.23 H new ATOM 0 HG3 LYS A 28 -18.113 9.332 -9.675 1.00 0.23 H new ATOM 0 HD2 LYS A 28 -16.670 9.927 -11.426 1.00 75.32 H new ATOM 0 HD3 LYS A 28 -17.325 8.724 -12.519 1.00 75.32 H new ATOM 0 HE2 LYS A 28 -19.401 10.612 -11.719 1.00 21.21 H new ATOM 0 HE3 LYS A 28 -18.015 11.465 -12.369 1.00 21.21 H new ATOM 0 HZ1 LYS A 28 -19.389 10.965 -14.187 1.00 2.03 H new ATOM 0 HZ2 LYS A 28 -18.118 9.844 -14.287 1.00 2.03 H new ATOM 0 HZ3 LYS A 28 -19.633 9.359 -13.693 1.00 2.03 H new ATOM 454 N ARG A 29 -15.229 5.691 -9.634 1.00 42.43 N ATOM 455 CA ARG A 29 -14.455 4.456 -9.660 1.00 73.21 C ATOM 456 C ARG A 29 -13.988 4.078 -8.258 1.00 20.44 C ATOM 457 O ARG A 29 -13.657 2.922 -7.993 1.00 23.22 O ATOM 458 CB ARG A 29 -13.249 4.604 -10.589 1.00 24.33 C ATOM 459 CG ARG A 29 -13.616 4.639 -12.063 1.00 43.22 C ATOM 460 CD ARG A 29 -12.430 5.048 -12.923 1.00 24.32 C ATOM 461 NE ARG A 29 -12.087 4.023 -13.905 1.00 25.41 N ATOM 462 CZ ARG A 29 -12.776 3.814 -15.021 1.00 43.42 C ATOM 463 NH1 ARG A 29 -13.839 4.557 -15.296 1.00 34.22 N ATOM 464 NH2 ARG A 29 -12.401 2.862 -15.866 1.00 0.21 N ATOM 0 H ARG A 29 -14.842 6.443 -10.204 1.00 42.43 H new ATOM 0 HA ARG A 29 -15.099 3.661 -10.036 1.00 73.21 H new ATOM 0 HB2 ARG A 29 -12.715 5.520 -10.334 1.00 24.33 H new ATOM 0 HB3 ARG A 29 -12.562 3.776 -10.414 1.00 24.33 H new ATOM 0 HG2 ARG A 29 -13.971 3.656 -12.374 1.00 43.22 H new ATOM 0 HG3 ARG A 29 -14.438 5.338 -12.218 1.00 43.22 H new ATOM 0 HD2 ARG A 29 -12.660 5.981 -13.438 1.00 24.32 H new ATOM 0 HD3 ARG A 29 -11.568 5.241 -12.284 1.00 24.32 H new ATOM 0 HE ARG A 29 -11.273 3.435 -13.724 1.00 25.41 H new ATOM 0 HH11 ARG A 29 -14.129 5.291 -14.650 1.00 34.22 H new ATOM 0 HH12 ARG A 29 -14.367 4.395 -16.154 1.00 34.22 H new ATOM 0 HH21 ARG A 29 -11.583 2.290 -15.659 1.00 0.21 H new ATOM 0 HH22 ARG A 29 -12.931 2.703 -16.723 1.00 0.21 H new ATOM 478 N PHE A 30 -13.964 5.060 -7.363 1.00 25.22 N ATOM 479 CA PHE A 30 -13.535 4.831 -5.988 1.00 34.23 C ATOM 480 C PHE A 30 -14.546 3.965 -5.241 1.00 24.14 C ATOM 481 O PHE A 30 -14.175 3.019 -4.545 1.00 71.23 O ATOM 482 CB PHE A 30 -13.352 6.164 -5.259 1.00 72.14 C ATOM 483 CG PHE A 30 -13.029 6.011 -3.801 1.00 22.43 C ATOM 484 CD1 PHE A 30 -12.024 5.151 -3.387 1.00 10.12 C ATOM 485 CD2 PHE A 30 -13.730 6.726 -2.843 1.00 71.33 C ATOM 486 CE1 PHE A 30 -11.724 5.008 -2.045 1.00 63.13 C ATOM 487 CE2 PHE A 30 -13.434 6.587 -1.500 1.00 41.05 C ATOM 488 CZ PHE A 30 -12.430 5.726 -1.101 1.00 14.22 C ATOM 0 H PHE A 30 -14.237 6.022 -7.565 1.00 25.22 H new ATOM 0 HA PHE A 30 -12.580 4.305 -6.014 1.00 34.23 H new ATOM 0 HB2 PHE A 30 -12.553 6.727 -5.743 1.00 72.14 H new ATOM 0 HB3 PHE A 30 -14.264 6.753 -5.361 1.00 72.14 H new ATOM 0 HD1 PHE A 30 -11.469 4.586 -4.121 1.00 10.12 H new ATOM 0 HD2 PHE A 30 -14.517 7.400 -3.149 1.00 71.33 H new ATOM 0 HE1 PHE A 30 -10.938 4.335 -1.736 1.00 63.13 H new ATOM 0 HE2 PHE A 30 -13.987 7.151 -0.763 1.00 41.05 H new ATOM 0 HZ PHE A 30 -12.198 5.615 -0.052 1.00 14.22 H new ATOM 498 N PHE A 31 -15.824 4.296 -5.389 1.00 41.11 N ATOM 499 CA PHE A 31 -16.889 3.551 -4.728 1.00 24.32 C ATOM 500 C PHE A 31 -16.841 2.075 -5.115 1.00 1.43 C ATOM 501 O PHE A 31 -17.373 1.220 -4.408 1.00 21.01 O ATOM 502 CB PHE A 31 -18.253 4.140 -5.089 1.00 55.41 C ATOM 503 CG PHE A 31 -19.387 3.558 -4.295 1.00 34.10 C ATOM 504 CD1 PHE A 31 -19.545 3.871 -2.955 1.00 1.44 C ATOM 505 CD2 PHE A 31 -20.296 2.696 -4.889 1.00 3.32 C ATOM 506 CE1 PHE A 31 -20.588 3.337 -2.221 1.00 4.30 C ATOM 507 CE2 PHE A 31 -21.340 2.160 -4.160 1.00 74.45 C ATOM 508 CZ PHE A 31 -21.486 2.479 -2.825 1.00 1.43 C ATOM 0 H PHE A 31 -16.148 5.076 -5.961 1.00 41.11 H new ATOM 0 HA PHE A 31 -16.740 3.632 -3.651 1.00 24.32 H new ATOM 0 HB2 PHE A 31 -18.227 5.218 -4.933 1.00 55.41 H new ATOM 0 HB3 PHE A 31 -18.441 3.976 -6.150 1.00 55.41 H new ATOM 0 HD1 PHE A 31 -18.845 4.540 -2.478 1.00 1.44 H new ATOM 0 HD2 PHE A 31 -20.187 2.441 -5.933 1.00 3.32 H new ATOM 0 HE1 PHE A 31 -20.700 3.590 -1.177 1.00 4.30 H new ATOM 0 HE2 PHE A 31 -22.042 1.491 -4.635 1.00 74.45 H new ATOM 0 HZ PHE A 31 -22.301 2.059 -2.254 1.00 1.43 H new ATOM 518 N ALA A 32 -16.200 1.786 -6.242 1.00 50.14 N ATOM 519 CA ALA A 32 -16.081 0.415 -6.723 1.00 51.23 C ATOM 520 C ALA A 32 -14.661 -0.109 -6.540 1.00 70.44 C ATOM 521 O ALA A 32 -14.424 -1.316 -6.592 1.00 65.32 O ATOM 522 CB ALA A 32 -16.493 0.331 -8.186 1.00 5.43 C ATOM 0 H ALA A 32 -15.755 2.483 -6.839 1.00 50.14 H new ATOM 0 HA ALA A 32 -16.750 -0.211 -6.132 1.00 51.23 H new ATOM 0 HB1 ALA A 32 -16.399 -0.698 -8.532 1.00 5.43 H new ATOM 0 HB2 ALA A 32 -17.528 0.656 -8.292 1.00 5.43 H new ATOM 0 HB3 ALA A 32 -15.847 0.975 -8.783 1.00 5.43 H new ATOM 528 N ASP A 33 -13.721 0.804 -6.327 1.00 43.32 N ATOM 529 CA ASP A 33 -12.323 0.433 -6.136 1.00 53.43 C ATOM 530 C ASP A 33 -12.046 0.095 -4.675 1.00 22.11 C ATOM 531 O ASP A 33 -10.900 -0.136 -4.286 1.00 55.33 O ATOM 532 CB ASP A 33 -11.405 1.568 -6.593 1.00 52.11 C ATOM 533 CG ASP A 33 -10.933 1.391 -8.023 1.00 23.53 C ATOM 534 OD1 ASP A 33 -11.477 0.511 -8.723 1.00 51.20 O ATOM 535 OD2 ASP A 33 -10.019 2.131 -8.441 1.00 50.44 O ATOM 0 H ASP A 33 -13.901 1.807 -6.282 1.00 43.32 H new ATOM 0 HA ASP A 33 -12.121 -0.452 -6.740 1.00 53.43 H new ATOM 0 HB2 ASP A 33 -11.933 2.517 -6.503 1.00 52.11 H new ATOM 0 HB3 ASP A 33 -10.540 1.620 -5.932 1.00 52.11 H new ATOM 540 N LYS A 34 -13.101 0.068 -3.868 1.00 74.14 N ATOM 541 CA LYS A 34 -12.973 -0.242 -2.449 1.00 70.35 C ATOM 542 C LYS A 34 -12.152 -1.511 -2.242 1.00 31.00 C ATOM 543 O LYS A 34 -12.034 -2.355 -3.131 1.00 4.23 O ATOM 544 CB LYS A 34 -14.356 -0.408 -1.815 1.00 40.54 C ATOM 545 CG LYS A 34 -15.321 -1.219 -2.663 1.00 25.24 C ATOM 546 CD LYS A 34 -16.262 -2.043 -1.801 1.00 33.23 C ATOM 547 CE LYS A 34 -17.648 -2.137 -2.422 1.00 24.24 C ATOM 548 NZ LYS A 34 -18.490 -3.163 -1.746 1.00 42.20 N ATOM 0 H LYS A 34 -14.056 0.257 -4.173 1.00 74.14 H new ATOM 0 HA LYS A 34 -12.456 0.588 -1.966 1.00 70.35 H new ATOM 0 HB2 LYS A 34 -14.246 -0.890 -0.844 1.00 40.54 H new ATOM 0 HB3 LYS A 34 -14.784 0.578 -1.635 1.00 40.54 H new ATOM 0 HG2 LYS A 34 -15.900 -0.549 -3.298 1.00 25.24 H new ATOM 0 HG3 LYS A 34 -14.760 -1.879 -3.324 1.00 25.24 H new ATOM 0 HD2 LYS A 34 -15.853 -3.045 -1.668 1.00 33.23 H new ATOM 0 HD3 LYS A 34 -16.336 -1.595 -0.810 1.00 33.23 H new ATOM 0 HE2 LYS A 34 -18.140 -1.166 -2.361 1.00 24.24 H new ATOM 0 HE3 LYS A 34 -17.556 -2.382 -3.480 1.00 24.24 H new ATOM 0 HZ1 LYS A 34 -19.426 -3.197 -2.198 1.00 42.20 H new ATOM 0 HZ2 LYS A 34 -18.034 -4.094 -1.826 1.00 42.20 H new ATOM 0 HZ3 LYS A 34 -18.599 -2.916 -0.742 1.00 42.20 H new ATOM 562 N PRO A 35 -11.572 -1.652 -1.041 1.00 13.13 N ATOM 563 CA PRO A 35 -10.754 -2.816 -0.688 1.00 73.22 C ATOM 564 C PRO A 35 -11.585 -4.087 -0.545 1.00 54.40 C ATOM 565 O PRO A 35 -11.928 -4.494 0.565 1.00 25.12 O ATOM 566 CB PRO A 35 -10.141 -2.424 0.658 1.00 22.13 C ATOM 567 CG PRO A 35 -11.094 -1.435 1.235 1.00 2.11 C ATOM 568 CD PRO A 35 -11.671 -0.686 0.066 1.00 11.31 C ATOM 0 HA PRO A 35 -10.016 -3.044 -1.457 1.00 73.22 H new ATOM 0 HB2 PRO A 35 -10.028 -3.291 1.309 1.00 22.13 H new ATOM 0 HB3 PRO A 35 -9.149 -1.990 0.530 1.00 22.13 H new ATOM 0 HG2 PRO A 35 -11.878 -1.935 1.804 1.00 2.11 H new ATOM 0 HG3 PRO A 35 -10.586 -0.757 1.920 1.00 2.11 H new ATOM 0 HD2 PRO A 35 -12.704 -0.389 0.249 1.00 11.31 H new ATOM 0 HD3 PRO A 35 -11.110 0.225 -0.144 1.00 11.31 H new ATOM 576 N ASP A 36 -11.906 -4.708 -1.674 1.00 75.33 N ATOM 577 CA ASP A 36 -12.697 -5.934 -1.674 1.00 65.03 C ATOM 578 C ASP A 36 -11.963 -7.053 -2.407 1.00 74.04 C ATOM 579 O ASP A 36 -11.836 -8.164 -1.894 1.00 72.23 O ATOM 580 CB ASP A 36 -14.059 -5.688 -2.325 1.00 63.10 C ATOM 581 CG ASP A 36 -15.040 -6.811 -2.056 1.00 33.55 C ATOM 582 OD1 ASP A 36 -16.053 -6.563 -1.367 1.00 44.04 O ATOM 583 OD2 ASP A 36 -14.797 -7.939 -2.534 1.00 2.05 O ATOM 0 H ASP A 36 -11.631 -4.383 -2.601 1.00 75.33 H new ATOM 0 HA ASP A 36 -12.849 -6.240 -0.639 1.00 65.03 H new ATOM 0 HB2 ASP A 36 -14.473 -4.751 -1.952 1.00 63.10 H new ATOM 0 HB3 ASP A 36 -13.929 -5.573 -3.401 1.00 63.10 H new ATOM 588 N GLU A 37 -11.484 -6.751 -3.610 1.00 73.22 N ATOM 589 CA GLU A 37 -10.766 -7.733 -4.414 1.00 22.00 C ATOM 590 C GLU A 37 -9.322 -7.296 -4.644 1.00 40.13 C ATOM 591 O GLU A 37 -8.437 -8.125 -4.855 1.00 34.12 O ATOM 592 CB GLU A 37 -11.469 -7.938 -5.758 1.00 3.24 C ATOM 593 CG GLU A 37 -11.516 -6.686 -6.617 1.00 10.42 C ATOM 594 CD GLU A 37 -12.460 -6.822 -7.796 1.00 24.51 C ATOM 595 OE1 GLU A 37 -12.185 -7.660 -8.680 1.00 61.45 O ATOM 596 OE2 GLU A 37 -13.472 -6.092 -7.835 1.00 23.34 O ATOM 0 H GLU A 37 -11.580 -5.835 -4.049 1.00 73.22 H new ATOM 0 HA GLU A 37 -10.760 -8.677 -3.868 1.00 22.00 H new ATOM 0 HB2 GLU A 37 -10.958 -8.728 -6.309 1.00 3.24 H new ATOM 0 HB3 GLU A 37 -12.487 -8.283 -5.577 1.00 3.24 H new ATOM 0 HG2 GLU A 37 -11.827 -5.840 -6.003 1.00 10.42 H new ATOM 0 HG3 GLU A 37 -10.514 -6.463 -6.983 1.00 10.42 H new ATOM 603 N ALA A 38 -9.092 -5.988 -4.603 1.00 54.51 N ATOM 604 CA ALA A 38 -7.757 -5.440 -4.806 1.00 1.44 C ATOM 605 C ALA A 38 -6.956 -5.450 -3.508 1.00 35.43 C ATOM 606 O ALA A 38 -5.725 -5.428 -3.525 1.00 12.34 O ATOM 607 CB ALA A 38 -7.845 -4.026 -5.362 1.00 32.13 C ATOM 0 H ALA A 38 -9.813 -5.288 -4.431 1.00 54.51 H new ATOM 0 HA ALA A 38 -7.239 -6.071 -5.528 1.00 1.44 H new ATOM 0 HB1 ALA A 38 -6.840 -3.629 -5.509 1.00 32.13 H new ATOM 0 HB2 ALA A 38 -8.371 -4.042 -6.316 1.00 32.13 H new ATOM 0 HB3 ALA A 38 -8.386 -3.392 -4.660 1.00 32.13 H new ATOM 613 N THR A 39 -7.663 -5.485 -2.382 1.00 51.41 N ATOM 614 CA THR A 39 -7.019 -5.496 -1.075 1.00 65.50 C ATOM 615 C THR A 39 -5.761 -4.635 -1.075 1.00 24.45 C ATOM 616 O THR A 39 -4.647 -5.145 -0.942 1.00 70.13 O ATOM 617 CB THR A 39 -6.647 -6.928 -0.645 1.00 32.13 C ATOM 618 OG1 THR A 39 -5.831 -6.890 0.531 1.00 32.13 O ATOM 619 CG2 THR A 39 -5.907 -7.653 -1.759 1.00 21.15 C ATOM 0 H THR A 39 -8.682 -5.506 -2.350 1.00 51.41 H new ATOM 0 HA THR A 39 -7.737 -5.086 -0.365 1.00 65.50 H new ATOM 0 HB THR A 39 -7.568 -7.470 -0.430 1.00 32.13 H new ATOM 0 HG1 THR A 39 -5.024 -6.364 0.352 1.00 32.13 H new ATOM 0 HG21 THR A 39 -5.655 -8.662 -1.432 1.00 21.15 H new ATOM 0 HG22 THR A 39 -6.542 -7.706 -2.643 1.00 21.15 H new ATOM 0 HG23 THR A 39 -4.993 -7.111 -2.001 1.00 21.15 H new ATOM 627 N LEU A 40 -5.944 -3.328 -1.222 1.00 72.14 N ATOM 628 CA LEU A 40 -4.823 -2.395 -1.238 1.00 40.01 C ATOM 629 C LEU A 40 -4.940 -1.383 -0.102 1.00 73.55 C ATOM 630 O LEU A 40 -5.976 -1.293 0.557 1.00 24.44 O ATOM 631 CB LEU A 40 -4.760 -1.666 -2.581 1.00 43.23 C ATOM 632 CG LEU A 40 -5.948 -0.762 -2.911 1.00 0.31 C ATOM 633 CD1 LEU A 40 -5.546 0.300 -3.923 1.00 13.22 C ATOM 634 CD2 LEU A 40 -7.116 -1.585 -3.434 1.00 64.24 C ATOM 0 H LEU A 40 -6.859 -2.890 -1.332 1.00 72.14 H new ATOM 0 HA LEU A 40 -3.905 -2.966 -1.098 1.00 40.01 H new ATOM 0 HB2 LEU A 40 -3.853 -1.062 -2.601 1.00 43.23 H new ATOM 0 HB3 LEU A 40 -4.665 -2.410 -3.372 1.00 43.23 H new ATOM 0 HG LEU A 40 -6.264 -0.261 -1.996 1.00 0.31 H new ATOM 0 HD11 LEU A 40 -6.404 0.934 -4.146 1.00 13.22 H new ATOM 0 HD12 LEU A 40 -4.742 0.910 -3.511 1.00 13.22 H new ATOM 0 HD13 LEU A 40 -5.203 -0.181 -4.839 1.00 13.22 H new ATOM 0 HD21 LEU A 40 -7.952 -0.925 -3.664 1.00 64.24 H new ATOM 0 HD22 LEU A 40 -6.813 -2.114 -4.337 1.00 64.24 H new ATOM 0 HD23 LEU A 40 -7.421 -2.307 -2.676 1.00 64.24 H new ATOM 646 N SER A 41 -3.873 -0.623 0.118 1.00 1.23 N ATOM 647 CA SER A 41 -3.855 0.382 1.175 1.00 35.31 C ATOM 648 C SER A 41 -4.262 1.748 0.632 1.00 14.45 C ATOM 649 O SER A 41 -4.318 1.973 -0.577 1.00 14.02 O ATOM 650 CB SER A 41 -2.464 0.465 1.806 1.00 33.42 C ATOM 651 OG SER A 41 -1.636 -0.593 1.355 1.00 21.02 O ATOM 0 H SER A 41 -3.009 -0.683 -0.421 1.00 1.23 H new ATOM 0 HA SER A 41 -4.574 0.084 1.938 1.00 35.31 H new ATOM 0 HB2 SER A 41 -2.005 1.422 1.557 1.00 33.42 H new ATOM 0 HB3 SER A 41 -2.551 0.426 2.892 1.00 33.42 H new ATOM 0 HG SER A 41 -0.752 -0.517 1.771 1.00 21.02 H new ATOM 657 N PRO A 42 -4.554 2.685 1.548 1.00 64.43 N ATOM 658 CA PRO A 42 -4.960 4.046 1.186 1.00 71.21 C ATOM 659 C PRO A 42 -3.815 4.852 0.583 1.00 62.22 C ATOM 660 O PRO A 42 -3.931 6.061 0.388 1.00 2.31 O ATOM 661 CB PRO A 42 -5.396 4.653 2.522 1.00 63.21 C ATOM 662 CG PRO A 42 -4.644 3.881 3.551 1.00 13.44 C ATOM 663 CD PRO A 42 -4.508 2.487 3.006 1.00 31.31 C ATOM 0 HA PRO A 42 -5.741 4.050 0.425 1.00 71.21 H new ATOM 0 HB2 PRO A 42 -5.157 5.715 2.571 1.00 63.21 H new ATOM 0 HB3 PRO A 42 -6.473 4.561 2.666 1.00 63.21 H new ATOM 0 HG2 PRO A 42 -3.666 4.325 3.734 1.00 13.44 H new ATOM 0 HG3 PRO A 42 -5.176 3.878 4.502 1.00 13.44 H new ATOM 0 HD2 PRO A 42 -3.573 2.023 3.319 1.00 31.31 H new ATOM 0 HD3 PRO A 42 -5.316 1.841 3.349 1.00 31.31 H new ATOM 671 N GLU A 43 -2.710 4.173 0.289 1.00 0.31 N ATOM 672 CA GLU A 43 -1.544 4.828 -0.292 1.00 2.22 C ATOM 673 C GLU A 43 -1.940 5.673 -1.499 1.00 44.23 C ATOM 674 O GLU A 43 -1.345 6.719 -1.760 1.00 15.04 O ATOM 675 CB GLU A 43 -0.500 3.788 -0.703 1.00 45.44 C ATOM 676 CG GLU A 43 -0.700 3.248 -2.109 1.00 71.32 C ATOM 677 CD GLU A 43 -0.138 4.169 -3.174 1.00 65.23 C ATOM 678 OE1 GLU A 43 0.900 4.813 -2.913 1.00 0.12 O ATOM 679 OE2 GLU A 43 -0.734 4.246 -4.268 1.00 72.24 O ATOM 0 H GLU A 43 -2.598 3.171 0.444 1.00 0.31 H new ATOM 0 HA GLU A 43 -1.113 5.485 0.464 1.00 2.22 H new ATOM 0 HB2 GLU A 43 0.492 4.234 -0.632 1.00 45.44 H new ATOM 0 HB3 GLU A 43 -0.528 2.958 0.003 1.00 45.44 H new ATOM 0 HG2 GLU A 43 -0.223 2.271 -2.190 1.00 71.32 H new ATOM 0 HG3 GLU A 43 -1.765 3.098 -2.289 1.00 71.32 H new ATOM 686 N MET A 44 -2.947 5.211 -2.233 1.00 64.01 N ATOM 687 CA MET A 44 -3.422 5.924 -3.413 1.00 15.23 C ATOM 688 C MET A 44 -4.502 6.935 -3.038 1.00 70.24 C ATOM 689 O MET A 44 -4.702 7.931 -3.733 1.00 52.23 O ATOM 690 CB MET A 44 -3.968 4.937 -4.446 1.00 40.04 C ATOM 691 CG MET A 44 -5.048 4.018 -3.898 1.00 40.35 C ATOM 692 SD MET A 44 -6.494 3.929 -4.972 1.00 12.35 S ATOM 693 CE MET A 44 -7.008 5.645 -4.990 1.00 35.04 C ATOM 0 H MET A 44 -3.450 4.347 -2.032 1.00 64.01 H new ATOM 0 HA MET A 44 -2.579 6.462 -3.846 1.00 15.23 H new ATOM 0 HB2 MET A 44 -4.372 5.495 -5.291 1.00 40.04 H new ATOM 0 HB3 MET A 44 -3.146 4.331 -4.827 1.00 40.04 H new ATOM 0 HG2 MET A 44 -4.636 3.018 -3.766 1.00 40.35 H new ATOM 0 HG3 MET A 44 -5.353 4.370 -2.912 1.00 40.35 H new ATOM 0 HE1 MET A 44 -8.002 5.723 -5.431 1.00 35.04 H new ATOM 0 HE2 MET A 44 -7.033 6.028 -3.970 1.00 35.04 H new ATOM 0 HE3 MET A 44 -6.303 6.230 -5.580 1.00 35.04 H new ATOM 703 N LYS A 45 -5.196 6.672 -1.936 1.00 61.42 N ATOM 704 CA LYS A 45 -6.255 7.558 -1.468 1.00 62.12 C ATOM 705 C LYS A 45 -5.675 8.862 -0.930 1.00 44.14 C ATOM 706 O LYS A 45 -6.089 9.948 -1.333 1.00 51.42 O ATOM 707 CB LYS A 45 -7.082 6.868 -0.381 1.00 3.54 C ATOM 708 CG LYS A 45 -8.033 7.804 0.345 1.00 4.25 C ATOM 709 CD LYS A 45 -7.388 8.403 1.585 1.00 71.34 C ATOM 710 CE LYS A 45 -8.392 8.552 2.718 1.00 44.43 C ATOM 711 NZ LYS A 45 -7.905 9.487 3.770 1.00 42.12 N ATOM 0 H LYS A 45 -5.044 5.851 -1.350 1.00 61.42 H new ATOM 0 HA LYS A 45 -6.901 7.790 -2.315 1.00 62.12 H new ATOM 0 HB2 LYS A 45 -7.656 6.058 -0.832 1.00 3.54 H new ATOM 0 HB3 LYS A 45 -6.407 6.415 0.345 1.00 3.54 H new ATOM 0 HG2 LYS A 45 -8.342 8.604 -0.328 1.00 4.25 H new ATOM 0 HG3 LYS A 45 -8.934 7.260 0.629 1.00 4.25 H new ATOM 0 HD2 LYS A 45 -6.563 7.769 1.910 1.00 71.34 H new ATOM 0 HD3 LYS A 45 -6.965 9.378 1.342 1.00 71.34 H new ATOM 0 HE2 LYS A 45 -9.339 8.916 2.319 1.00 44.43 H new ATOM 0 HE3 LYS A 45 -8.587 7.576 3.162 1.00 44.43 H new ATOM 0 HZ1 LYS A 45 -8.617 9.562 4.524 1.00 42.12 H new ATOM 0 HZ2 LYS A 45 -7.014 9.127 4.169 1.00 42.12 H new ATOM 0 HZ3 LYS A 45 -7.743 10.426 3.352 1.00 42.12 H new ATOM 725 N GLU A 46 -4.713 8.746 -0.020 1.00 20.11 N ATOM 726 CA GLU A 46 -4.076 9.917 0.572 1.00 73.15 C ATOM 727 C GLU A 46 -3.217 10.647 -0.457 1.00 30.40 C ATOM 728 O GLU A 46 -3.223 11.876 -0.527 1.00 41.13 O ATOM 729 CB GLU A 46 -3.219 9.508 1.771 1.00 64.54 C ATOM 730 CG GLU A 46 -3.660 10.141 3.079 1.00 31.23 C ATOM 731 CD GLU A 46 -2.822 9.687 4.259 1.00 40.41 C ATOM 732 OE1 GLU A 46 -2.777 8.467 4.519 1.00 25.32 O ATOM 733 OE2 GLU A 46 -2.212 10.552 4.921 1.00 11.35 O ATOM 0 H GLU A 46 -4.358 7.854 0.323 1.00 20.11 H new ATOM 0 HA GLU A 46 -4.861 10.594 0.911 1.00 73.15 H new ATOM 0 HB2 GLU A 46 -3.248 8.423 1.874 1.00 64.54 H new ATOM 0 HB3 GLU A 46 -2.182 9.782 1.576 1.00 64.54 H new ATOM 0 HG2 GLU A 46 -3.600 11.226 2.992 1.00 31.23 H new ATOM 0 HG3 GLU A 46 -4.705 9.893 3.264 1.00 31.23 H new ATOM 740 N HIS A 47 -2.478 9.880 -1.253 1.00 12.10 N ATOM 741 CA HIS A 47 -1.613 10.453 -2.278 1.00 71.22 C ATOM 742 C HIS A 47 -2.431 11.219 -3.314 1.00 32.53 C ATOM 743 O HIS A 47 -2.082 12.337 -3.691 1.00 54.40 O ATOM 744 CB HIS A 47 -0.802 9.353 -2.964 1.00 31.12 C ATOM 745 CG HIS A 47 0.277 9.875 -3.861 1.00 5.42 C ATOM 746 ND1 HIS A 47 1.584 9.439 -3.799 1.00 61.02 N ATOM 747 CD2 HIS A 47 0.238 10.802 -4.846 1.00 41.53 C ATOM 748 CE1 HIS A 47 2.302 10.076 -4.707 1.00 0.22 C ATOM 749 NE2 HIS A 47 1.509 10.909 -5.356 1.00 53.11 N ATOM 0 H HIS A 47 -2.461 8.861 -1.208 1.00 12.10 H new ATOM 0 HA HIS A 47 -0.929 11.150 -1.793 1.00 71.22 H new ATOM 0 HB2 HIS A 47 -0.353 8.715 -2.202 1.00 31.12 H new ATOM 0 HB3 HIS A 47 -1.476 8.726 -3.547 1.00 31.12 H new ATOM 0 HD2 HIS A 47 -0.631 11.355 -5.171 1.00 41.53 H new ATOM 0 HE1 HIS A 47 3.358 9.939 -4.888 1.00 0.22 H new ATOM 0 HE2 HIS A 47 1.794 11.531 -6.113 1.00 53.11 H new ATOM 757 N TYR A 48 -3.519 10.608 -3.770 1.00 14.34 N ATOM 758 CA TYR A 48 -4.385 11.231 -4.764 1.00 11.12 C ATOM 759 C TYR A 48 -4.828 12.618 -4.308 1.00 74.00 C ATOM 760 O TYR A 48 -5.175 13.470 -5.125 1.00 43.04 O ATOM 761 CB TYR A 48 -5.610 10.353 -5.026 1.00 64.24 C ATOM 762 CG TYR A 48 -5.400 9.335 -6.125 1.00 34.03 C ATOM 763 CD1 TYR A 48 -4.127 8.880 -6.444 1.00 3.14 C ATOM 764 CD2 TYR A 48 -6.476 8.829 -6.844 1.00 62.12 C ATOM 765 CE1 TYR A 48 -3.930 7.951 -7.447 1.00 35.33 C ATOM 766 CE2 TYR A 48 -6.289 7.898 -7.848 1.00 11.31 C ATOM 767 CZ TYR A 48 -5.015 7.462 -8.146 1.00 2.54 C ATOM 768 OH TYR A 48 -4.825 6.537 -9.146 1.00 24.44 O ATOM 0 H TYR A 48 -3.822 9.682 -3.467 1.00 14.34 H new ATOM 0 HA TYR A 48 -3.817 11.336 -5.688 1.00 11.12 H new ATOM 0 HB2 TYR A 48 -5.877 9.833 -4.106 1.00 64.24 H new ATOM 0 HB3 TYR A 48 -6.454 10.990 -5.289 1.00 64.24 H new ATOM 0 HD1 TYR A 48 -3.276 9.259 -5.898 1.00 3.14 H new ATOM 0 HD2 TYR A 48 -7.475 9.169 -6.614 1.00 62.12 H new ATOM 0 HE1 TYR A 48 -2.933 7.609 -7.683 1.00 35.33 H new ATOM 0 HE2 TYR A 48 -7.136 7.514 -8.397 1.00 11.31 H new ATOM 0 HH TYR A 48 -5.691 6.296 -9.537 1.00 24.44 H new ATOM 778 N GLU A 49 -4.814 12.836 -2.997 1.00 24.44 N ATOM 779 CA GLU A 49 -5.214 14.119 -2.431 1.00 71.33 C ATOM 780 C GLU A 49 -4.301 15.238 -2.922 1.00 3.30 C ATOM 781 O GLU A 49 -4.658 16.415 -2.870 1.00 13.23 O ATOM 782 CB GLU A 49 -5.189 14.058 -0.903 1.00 23.24 C ATOM 783 CG GLU A 49 -6.026 12.929 -0.324 1.00 44.14 C ATOM 784 CD GLU A 49 -7.396 12.831 -0.966 1.00 12.54 C ATOM 785 OE1 GLU A 49 -7.488 12.291 -2.088 1.00 13.02 O ATOM 786 OE2 GLU A 49 -8.376 13.295 -0.346 1.00 51.31 O ATOM 0 H GLU A 49 -4.530 12.141 -2.307 1.00 24.44 H new ATOM 0 HA GLU A 49 -6.231 14.332 -2.761 1.00 71.33 H new ATOM 0 HB2 GLU A 49 -4.158 13.942 -0.569 1.00 23.24 H new ATOM 0 HB3 GLU A 49 -5.548 15.007 -0.504 1.00 23.24 H new ATOM 0 HG2 GLU A 49 -5.498 11.985 -0.457 1.00 44.14 H new ATOM 0 HG3 GLU A 49 -6.142 13.081 0.749 1.00 44.14 H new ATOM 793 N LYS A 50 -3.118 14.863 -3.398 1.00 54.14 N ATOM 794 CA LYS A 50 -2.152 15.833 -3.900 1.00 11.34 C ATOM 795 C LYS A 50 -2.431 16.174 -5.360 1.00 1.30 C ATOM 796 O LYS A 50 -2.017 17.224 -5.852 1.00 54.25 O ATOM 797 CB LYS A 50 -0.729 15.288 -3.755 1.00 14.44 C ATOM 798 CG LYS A 50 0.163 16.144 -2.872 1.00 53.33 C ATOM 799 CD LYS A 50 1.538 16.337 -3.490 1.00 32.13 C ATOM 800 CE LYS A 50 2.149 17.669 -3.084 1.00 51.53 C ATOM 801 NZ LYS A 50 2.497 18.503 -4.268 1.00 64.12 N ATOM 0 H LYS A 50 -2.805 13.893 -3.447 1.00 54.14 H new ATOM 0 HA LYS A 50 -2.248 16.743 -3.308 1.00 11.34 H new ATOM 0 HB2 LYS A 50 -0.775 14.280 -3.342 1.00 14.44 H new ATOM 0 HB3 LYS A 50 -0.277 15.207 -4.744 1.00 14.44 H new ATOM 0 HG2 LYS A 50 -0.305 17.115 -2.713 1.00 53.33 H new ATOM 0 HG3 LYS A 50 0.265 15.675 -1.893 1.00 53.33 H new ATOM 0 HD2 LYS A 50 2.195 15.524 -3.180 1.00 32.13 H new ATOM 0 HD3 LYS A 50 1.460 16.287 -4.576 1.00 32.13 H new ATOM 0 HE2 LYS A 50 1.448 18.212 -2.450 1.00 51.53 H new ATOM 0 HE3 LYS A 50 3.045 17.491 -2.489 1.00 51.53 H new ATOM 0 HZ1 LYS A 50 2.911 19.402 -3.950 1.00 64.12 H new ATOM 0 HZ2 LYS A 50 3.185 17.996 -4.860 1.00 64.12 H new ATOM 0 HZ3 LYS A 50 1.638 18.694 -4.823 1.00 64.12 H new ATOM 815 N PHE A 51 -3.135 15.281 -6.047 1.00 55.42 N ATOM 816 CA PHE A 51 -3.470 15.488 -7.451 1.00 40.45 C ATOM 817 C PHE A 51 -4.733 16.333 -7.591 1.00 33.21 C ATOM 818 O PHE A 51 -4.796 17.243 -8.417 1.00 65.51 O ATOM 819 CB PHE A 51 -3.662 14.144 -8.156 1.00 25.43 C ATOM 820 CG PHE A 51 -3.133 14.122 -9.561 1.00 43.33 C ATOM 821 CD1 PHE A 51 -2.048 13.327 -9.896 1.00 14.33 C ATOM 822 CD2 PHE A 51 -3.720 14.898 -10.548 1.00 62.22 C ATOM 823 CE1 PHE A 51 -1.559 13.305 -11.188 1.00 54.14 C ATOM 824 CE2 PHE A 51 -3.236 14.879 -11.843 1.00 4.35 C ATOM 825 CZ PHE A 51 -2.153 14.083 -12.163 1.00 14.02 C ATOM 0 H PHE A 51 -3.485 14.407 -5.654 1.00 55.42 H new ATOM 0 HA PHE A 51 -2.643 16.022 -7.920 1.00 40.45 H new ATOM 0 HB2 PHE A 51 -3.165 13.365 -7.577 1.00 25.43 H new ATOM 0 HB3 PHE A 51 -4.724 13.900 -8.173 1.00 25.43 H new ATOM 0 HD1 PHE A 51 -1.579 12.717 -9.138 1.00 14.33 H new ATOM 0 HD2 PHE A 51 -4.565 15.524 -10.303 1.00 62.22 H new ATOM 0 HE1 PHE A 51 -0.713 12.680 -11.435 1.00 54.14 H new ATOM 0 HE2 PHE A 51 -3.704 15.486 -12.604 1.00 4.35 H new ATOM 0 HZ PHE A 51 -1.772 14.069 -13.173 1.00 14.02 H new ATOM 835 N GLU A 52 -5.738 16.023 -6.777 1.00 3.22 N ATOM 836 CA GLU A 52 -7.000 16.753 -6.811 1.00 21.45 C ATOM 837 C GLU A 52 -6.761 18.257 -6.723 1.00 53.30 C ATOM 838 O GLU A 52 -7.359 19.037 -7.465 1.00 61.35 O ATOM 839 CB GLU A 52 -7.906 16.301 -5.663 1.00 51.22 C ATOM 840 CG GLU A 52 -7.203 16.247 -4.317 1.00 41.43 C ATOM 841 CD GLU A 52 -8.133 15.845 -3.189 1.00 64.31 C ATOM 842 OE1 GLU A 52 -8.393 16.689 -2.306 1.00 73.22 O ATOM 843 OE2 GLU A 52 -8.599 14.687 -3.189 1.00 31.54 O ATOM 0 H GLU A 52 -5.703 15.272 -6.087 1.00 3.22 H new ATOM 0 HA GLU A 52 -7.491 16.536 -7.760 1.00 21.45 H new ATOM 0 HB2 GLU A 52 -8.755 16.981 -5.593 1.00 51.22 H new ATOM 0 HB3 GLU A 52 -8.306 15.314 -5.894 1.00 51.22 H new ATOM 0 HG2 GLU A 52 -6.376 15.539 -4.371 1.00 41.43 H new ATOM 0 HG3 GLU A 52 -6.772 17.224 -4.097 1.00 41.43 H new ATOM 850 N LYS A 53 -5.884 18.659 -5.810 1.00 21.03 N ATOM 851 CA LYS A 53 -5.564 20.069 -5.624 1.00 11.35 C ATOM 852 C LYS A 53 -5.053 20.687 -6.921 1.00 53.32 C ATOM 853 O LYS A 53 -5.229 21.881 -7.162 1.00 2.42 O ATOM 854 CB LYS A 53 -4.516 20.235 -4.520 1.00 72.45 C ATOM 855 CG LYS A 53 -4.966 19.704 -3.170 1.00 41.30 C ATOM 856 CD LYS A 53 -3.796 19.558 -2.211 1.00 15.21 C ATOM 857 CE LYS A 53 -4.271 19.373 -0.778 1.00 20.53 C ATOM 858 NZ LYS A 53 -4.363 20.669 -0.051 1.00 43.34 N ATOM 0 H LYS A 53 -5.381 18.027 -5.186 1.00 21.03 H new ATOM 0 HA LYS A 53 -6.477 20.587 -5.330 1.00 11.35 H new ATOM 0 HB2 LYS A 53 -3.602 19.720 -4.817 1.00 72.45 H new ATOM 0 HB3 LYS A 53 -4.269 21.292 -4.421 1.00 72.45 H new ATOM 0 HG2 LYS A 53 -5.707 20.378 -2.741 1.00 41.30 H new ATOM 0 HG3 LYS A 53 -5.453 18.738 -3.302 1.00 41.30 H new ATOM 0 HD2 LYS A 53 -3.186 18.704 -2.507 1.00 15.21 H new ATOM 0 HD3 LYS A 53 -3.160 20.441 -2.274 1.00 15.21 H new ATOM 0 HE2 LYS A 53 -5.247 18.887 -0.779 1.00 20.53 H new ATOM 0 HE3 LYS A 53 -3.585 18.709 -0.251 1.00 20.53 H new ATOM 0 HZ1 LYS A 53 -4.690 20.499 0.921 1.00 43.34 H new ATOM 0 HZ2 LYS A 53 -3.427 21.121 -0.027 1.00 43.34 H new ATOM 0 HZ3 LYS A 53 -5.037 21.294 -0.539 1.00 43.34 H new ATOM 872 N MET A 54 -4.422 19.866 -7.754 1.00 52.21 N ATOM 873 CA MET A 54 -3.889 20.333 -9.029 1.00 22.24 C ATOM 874 C MET A 54 -4.947 20.249 -10.124 1.00 41.31 C ATOM 875 O MET A 54 -4.838 20.911 -11.157 1.00 0.34 O ATOM 876 CB MET A 54 -2.662 19.509 -9.425 1.00 2.25 C ATOM 877 CG MET A 54 -1.342 20.198 -9.116 1.00 73.13 C ATOM 878 SD MET A 54 -0.085 19.883 -10.370 1.00 30.02 S ATOM 879 CE MET A 54 1.333 19.511 -9.341 1.00 21.00 C ATOM 0 H MET A 54 -4.267 18.875 -7.569 1.00 52.21 H new ATOM 0 HA MET A 54 -3.595 21.376 -8.912 1.00 22.24 H new ATOM 0 HB2 MET A 54 -2.694 18.552 -8.904 1.00 2.25 H new ATOM 0 HB3 MET A 54 -2.709 19.293 -10.492 1.00 2.25 H new ATOM 0 HG2 MET A 54 -1.507 21.272 -9.035 1.00 73.13 H new ATOM 0 HG3 MET A 54 -0.977 19.857 -8.147 1.00 73.13 H new ATOM 0 HE1 MET A 54 2.194 19.294 -9.973 1.00 21.00 H new ATOM 0 HE2 MET A 54 1.556 20.368 -8.706 1.00 21.00 H new ATOM 0 HE3 MET A 54 1.113 18.645 -8.717 1.00 21.00 H new ATOM 889 N ILE A 55 -5.969 19.432 -9.892 1.00 42.33 N ATOM 890 CA ILE A 55 -7.046 19.264 -10.860 1.00 31.24 C ATOM 891 C ILE A 55 -7.833 20.558 -11.037 1.00 33.33 C ATOM 892 O ILE A 55 -7.852 21.140 -12.121 1.00 0.34 O ATOM 893 CB ILE A 55 -8.013 18.142 -10.436 1.00 64.12 C ATOM 894 CG1 ILE A 55 -7.318 16.781 -10.520 1.00 44.44 C ATOM 895 CG2 ILE A 55 -9.260 18.161 -11.307 1.00 62.52 C ATOM 896 CD1 ILE A 55 -6.937 16.383 -11.929 1.00 51.42 C ATOM 0 H ILE A 55 -6.074 18.877 -9.043 1.00 42.33 H new ATOM 0 HA ILE A 55 -6.580 18.993 -11.807 1.00 31.24 H new ATOM 0 HB ILE A 55 -8.313 18.312 -9.402 1.00 64.12 H new ATOM 0 HG12 ILE A 55 -6.421 16.802 -9.902 1.00 44.44 H new ATOM 0 HG13 ILE A 55 -7.976 16.020 -10.101 1.00 44.44 H new ATOM 0 HG21 ILE A 55 -9.934 17.363 -10.995 1.00 62.52 H new ATOM 0 HG22 ILE A 55 -9.763 19.122 -11.201 1.00 62.52 H new ATOM 0 HG23 ILE A 55 -8.978 18.012 -12.349 1.00 62.52 H new ATOM 0 HD11 ILE A 55 -6.449 15.408 -11.912 1.00 51.42 H new ATOM 0 HD12 ILE A 55 -7.833 16.330 -12.547 1.00 51.42 H new ATOM 0 HD13 ILE A 55 -6.254 17.124 -12.344 1.00 51.42 H new ATOM 908 N GLN A 56 -8.480 21.002 -9.964 1.00 73.20 N ATOM 909 CA GLN A 56 -9.268 22.228 -10.001 1.00 53.11 C ATOM 910 C GLN A 56 -8.365 23.454 -10.088 1.00 65.54 C ATOM 911 O GLN A 56 -8.820 24.550 -10.412 1.00 60.22 O ATOM 912 CB GLN A 56 -10.160 22.324 -8.762 1.00 5.33 C ATOM 913 CG GLN A 56 -11.636 22.115 -9.056 1.00 71.13 C ATOM 914 CD GLN A 56 -12.247 21.009 -8.219 1.00 13.15 C ATOM 915 OE1 GLN A 56 -12.956 20.144 -8.733 1.00 61.35 O ATOM 916 NE2 GLN A 56 -11.976 21.032 -6.919 1.00 24.31 N ATOM 0 H GLN A 56 -8.474 20.531 -9.059 1.00 73.20 H new ATOM 0 HA GLN A 56 -9.896 22.199 -10.891 1.00 53.11 H new ATOM 0 HB2 GLN A 56 -9.835 21.582 -8.033 1.00 5.33 H new ATOM 0 HB3 GLN A 56 -10.025 23.303 -8.303 1.00 5.33 H new ATOM 0 HG2 GLN A 56 -12.174 23.045 -8.872 1.00 71.13 H new ATOM 0 HG3 GLN A 56 -11.762 21.878 -10.112 1.00 71.13 H new ATOM 0 HE21 GLN A 56 -11.383 21.768 -6.535 1.00 24.31 H new ATOM 0 HE22 GLN A 56 -12.361 20.314 -6.305 1.00 24.31 H new ATOM 925 N GLU A 57 -7.082 23.259 -9.797 1.00 51.01 N ATOM 926 CA GLU A 57 -6.115 24.350 -9.842 1.00 34.31 C ATOM 927 C GLU A 57 -5.976 24.895 -11.260 1.00 51.42 C ATOM 928 O GLU A 57 -6.015 26.107 -11.478 1.00 35.11 O ATOM 929 CB GLU A 57 -4.754 23.875 -9.330 1.00 44.14 C ATOM 930 CG GLU A 57 -4.345 24.507 -8.010 1.00 52.45 C ATOM 931 CD GLU A 57 -3.942 25.962 -8.160 1.00 75.41 C ATOM 932 OE1 GLU A 57 -2.732 26.254 -8.062 1.00 53.55 O ATOM 933 OE2 GLU A 57 -4.837 26.806 -8.374 1.00 44.44 O ATOM 0 H GLU A 57 -6.689 22.357 -9.528 1.00 51.01 H new ATOM 0 HA GLU A 57 -6.478 25.151 -9.198 1.00 34.31 H new ATOM 0 HB2 GLU A 57 -4.778 22.792 -9.212 1.00 44.14 H new ATOM 0 HB3 GLU A 57 -3.995 24.098 -10.080 1.00 44.14 H new ATOM 0 HG2 GLU A 57 -5.173 24.434 -7.305 1.00 52.45 H new ATOM 0 HG3 GLU A 57 -3.513 23.945 -7.585 1.00 52.45 H new ATOM 940 N HIS A 58 -5.813 23.993 -12.222 1.00 25.50 N ATOM 941 CA HIS A 58 -5.667 24.383 -13.620 1.00 33.50 C ATOM 942 C HIS A 58 -5.281 23.184 -14.481 1.00 62.20 C ATOM 943 O HIS A 58 -4.424 23.287 -15.360 1.00 74.01 O ATOM 944 CB HIS A 58 -4.616 25.484 -13.757 1.00 40.15 C ATOM 945 CG HIS A 58 -5.159 26.765 -14.313 1.00 34.35 C ATOM 946 ND1 HIS A 58 -6.415 27.245 -14.005 1.00 43.53 N ATOM 947 CD2 HIS A 58 -4.609 27.667 -15.159 1.00 34.33 C ATOM 948 CE1 HIS A 58 -6.614 28.387 -14.640 1.00 31.12 C ATOM 949 NE2 HIS A 58 -5.533 28.665 -15.346 1.00 54.14 N ATOM 0 H HIS A 58 -5.779 22.987 -12.059 1.00 25.50 H new ATOM 0 HA HIS A 58 -6.627 24.763 -13.968 1.00 33.50 H new ATOM 0 HB2 HIS A 58 -4.177 25.679 -12.779 1.00 40.15 H new ATOM 0 HB3 HIS A 58 -3.812 25.129 -14.402 1.00 40.15 H new ATOM 0 HD1 HIS A 58 -7.085 26.790 -13.385 1.00 43.53 H new ATOM 0 HD2 HIS A 58 -3.626 27.612 -15.604 1.00 34.33 H new ATOM 0 HE1 HIS A 58 -7.508 28.990 -14.590 1.00 31.12 H new ATOM 957 N THR A 59 -5.917 22.045 -14.222 1.00 52.54 N ATOM 958 CA THR A 59 -5.639 20.827 -14.972 1.00 22.13 C ATOM 959 C THR A 59 -6.472 20.763 -16.247 1.00 1.12 C ATOM 960 O THR A 59 -6.003 20.292 -17.283 1.00 70.10 O ATOM 961 CB THR A 59 -5.919 19.571 -14.126 1.00 31.34 C ATOM 962 OG1 THR A 59 -4.843 19.348 -13.208 1.00 2.13 O ATOM 963 CG2 THR A 59 -6.096 18.348 -15.014 1.00 2.33 C ATOM 0 H THR A 59 -6.628 21.941 -13.498 1.00 52.54 H new ATOM 0 HA THR A 59 -4.581 20.852 -15.234 1.00 22.13 H new ATOM 0 HB THR A 59 -6.842 19.734 -13.570 1.00 31.34 H new ATOM 0 HG1 THR A 59 -4.684 20.162 -12.686 1.00 2.13 H new ATOM 0 HG21 THR A 59 -6.293 17.473 -14.394 1.00 2.33 H new ATOM 0 HG22 THR A 59 -6.935 18.509 -15.691 1.00 2.33 H new ATOM 0 HG23 THR A 59 -5.188 18.185 -15.594 1.00 2.33 H new ATOM 971 N ASP A 60 -7.709 21.241 -16.164 1.00 62.51 N ATOM 972 CA ASP A 60 -8.607 21.239 -17.313 1.00 12.32 C ATOM 973 C ASP A 60 -7.939 21.879 -18.526 1.00 12.42 C ATOM 974 O ASP A 60 -8.222 21.516 -19.668 1.00 24.03 O ATOM 975 CB ASP A 60 -9.901 21.982 -16.976 1.00 41.52 C ATOM 976 CG ASP A 60 -9.667 23.453 -16.693 1.00 2.33 C ATOM 977 OD1 ASP A 60 -10.016 24.287 -17.555 1.00 20.12 O ATOM 978 OD2 ASP A 60 -9.135 23.771 -15.608 1.00 72.25 O ATOM 0 H ASP A 60 -8.112 21.634 -15.314 1.00 62.51 H new ATOM 0 HA ASP A 60 -8.844 20.203 -17.556 1.00 12.32 H new ATOM 0 HB2 ASP A 60 -10.601 21.881 -17.806 1.00 41.52 H new ATOM 0 HB3 ASP A 60 -10.368 21.518 -16.107 1.00 41.52 H new ATOM 983 N LYS A 61 -7.052 22.835 -18.271 1.00 13.34 N ATOM 984 CA LYS A 61 -6.343 23.527 -19.340 1.00 51.14 C ATOM 985 C LYS A 61 -5.098 22.751 -19.759 1.00 34.24 C ATOM 986 O LYS A 61 -4.676 22.811 -20.914 1.00 10.15 O ATOM 987 CB LYS A 61 -5.951 24.937 -18.892 1.00 72.20 C ATOM 988 CG LYS A 61 -4.703 24.975 -18.028 1.00 3.22 C ATOM 989 CD LYS A 61 -3.453 25.199 -18.863 1.00 31.42 C ATOM 990 CE LYS A 61 -2.790 26.527 -18.530 1.00 34.51 C ATOM 991 NZ LYS A 61 -1.382 26.579 -19.010 1.00 43.21 N ATOM 0 H LYS A 61 -6.807 23.148 -17.332 1.00 13.34 H new ATOM 0 HA LYS A 61 -7.012 23.598 -20.198 1.00 51.14 H new ATOM 0 HB2 LYS A 61 -5.792 25.558 -19.773 1.00 72.20 H new ATOM 0 HB3 LYS A 61 -6.780 25.377 -18.338 1.00 72.20 H new ATOM 0 HG2 LYS A 61 -4.795 25.771 -17.289 1.00 3.22 H new ATOM 0 HG3 LYS A 61 -4.611 24.038 -17.478 1.00 3.22 H new ATOM 0 HD2 LYS A 61 -2.748 24.386 -18.690 1.00 31.42 H new ATOM 0 HD3 LYS A 61 -3.712 25.176 -19.921 1.00 31.42 H new ATOM 0 HE2 LYS A 61 -3.358 27.340 -18.982 1.00 34.51 H new ATOM 0 HE3 LYS A 61 -2.812 26.684 -17.452 1.00 34.51 H new ATOM 0 HZ1 LYS A 61 -0.965 27.499 -18.764 1.00 43.21 H new ATOM 0 HZ2 LYS A 61 -0.833 25.819 -18.560 1.00 43.21 H new ATOM 0 HZ3 LYS A 61 -1.362 26.455 -20.042 1.00 43.21 H new ATOM 1005 N PHE A 62 -4.516 22.021 -18.813 1.00 11.11 N ATOM 1006 CA PHE A 62 -3.320 21.232 -19.084 1.00 1.21 C ATOM 1007 C PHE A 62 -3.675 19.937 -19.807 1.00 72.52 C ATOM 1008 O PHE A 62 -3.183 19.670 -20.902 1.00 63.35 O ATOM 1009 CB PHE A 62 -2.585 20.916 -17.779 1.00 53.44 C ATOM 1010 CG PHE A 62 -1.096 20.808 -17.941 1.00 41.13 C ATOM 1011 CD1 PHE A 62 -0.242 21.465 -17.070 1.00 64.42 C ATOM 1012 CD2 PHE A 62 -0.550 20.050 -18.965 1.00 14.30 C ATOM 1013 CE1 PHE A 62 1.129 21.367 -17.216 1.00 65.21 C ATOM 1014 CE2 PHE A 62 0.820 19.948 -19.116 1.00 13.55 C ATOM 1015 CZ PHE A 62 1.661 20.608 -18.241 1.00 14.51 C ATOM 0 H PHE A 62 -4.853 21.960 -17.852 1.00 11.11 H new ATOM 0 HA PHE A 62 -2.666 21.819 -19.728 1.00 1.21 H new ATOM 0 HB2 PHE A 62 -2.808 21.694 -17.048 1.00 53.44 H new ATOM 0 HB3 PHE A 62 -2.967 19.979 -17.374 1.00 53.44 H new ATOM 0 HD1 PHE A 62 -0.652 22.061 -16.268 1.00 64.42 H new ATOM 0 HD2 PHE A 62 -1.203 19.533 -19.653 1.00 14.30 H new ATOM 0 HE1 PHE A 62 1.784 21.883 -16.530 1.00 65.21 H new ATOM 0 HE2 PHE A 62 1.233 19.353 -19.917 1.00 13.55 H new ATOM 0 HZ PHE A 62 2.732 20.531 -18.358 1.00 14.51 H new ATOM 1025 N ASN A 63 -4.534 19.135 -19.185 1.00 64.22 N ATOM 1026 CA ASN A 63 -4.955 17.866 -19.768 1.00 44.13 C ATOM 1027 C ASN A 63 -5.374 18.049 -21.224 1.00 32.13 C ATOM 1028 O ASN A 63 -5.275 17.125 -22.031 1.00 60.32 O ATOM 1029 CB ASN A 63 -6.111 17.270 -18.963 1.00 72.15 C ATOM 1030 CG ASN A 63 -6.803 16.137 -19.697 1.00 41.23 C ATOM 1031 OD1 ASN A 63 -8.008 16.186 -19.942 1.00 53.35 O ATOM 1032 ND2 ASN A 63 -6.040 15.109 -20.052 1.00 15.25 N ATOM 0 H ASN A 63 -4.952 19.342 -18.278 1.00 64.22 H new ATOM 0 HA ASN A 63 -4.108 17.181 -19.736 1.00 44.13 H new ATOM 0 HB2 ASN A 63 -5.734 16.904 -18.008 1.00 72.15 H new ATOM 0 HB3 ASN A 63 -6.837 18.052 -18.741 1.00 72.15 H new ATOM 0 HD21 ASN A 63 -6.449 14.318 -20.549 1.00 15.25 H new ATOM 0 HD22 ASN A 63 -5.045 15.111 -19.828 1.00 15.25 H new ATOM 1039 N LYS A 64 -5.843 19.248 -21.552 1.00 70.14 N ATOM 1040 CA LYS A 64 -6.276 19.555 -22.910 1.00 74.33 C ATOM 1041 C LYS A 64 -5.099 19.517 -23.879 1.00 4.32 C ATOM 1042 O LYS A 64 -5.210 18.995 -24.988 1.00 41.44 O ATOM 1043 CB LYS A 64 -6.944 20.931 -22.956 1.00 33.11 C ATOM 1044 CG LYS A 64 -8.456 20.878 -22.821 1.00 33.14 C ATOM 1045 CD LYS A 64 -9.107 20.295 -24.064 1.00 33.03 C ATOM 1046 CE LYS A 64 -10.407 19.580 -23.729 1.00 13.01 C ATOM 1047 NZ LYS A 64 -11.599 20.384 -24.119 1.00 63.31 N ATOM 0 H LYS A 64 -5.933 20.023 -20.896 1.00 70.14 H new ATOM 0 HA LYS A 64 -6.998 18.797 -23.214 1.00 74.33 H new ATOM 0 HB2 LYS A 64 -6.538 21.550 -22.156 1.00 33.11 H new ATOM 0 HB3 LYS A 64 -6.688 21.418 -23.897 1.00 33.11 H new ATOM 0 HG2 LYS A 64 -8.724 20.276 -21.953 1.00 33.14 H new ATOM 0 HG3 LYS A 64 -8.842 21.882 -22.644 1.00 33.14 H new ATOM 0 HD2 LYS A 64 -9.303 21.092 -24.781 1.00 33.03 H new ATOM 0 HD3 LYS A 64 -8.420 19.597 -24.543 1.00 33.03 H new ATOM 0 HE2 LYS A 64 -10.435 18.618 -24.241 1.00 13.01 H new ATOM 0 HE3 LYS A 64 -10.443 19.373 -22.659 1.00 13.01 H new ATOM 0 HZ1 LYS A 64 -12.465 19.862 -23.874 1.00 63.31 H new ATOM 0 HZ2 LYS A 64 -11.587 21.292 -23.612 1.00 63.31 H new ATOM 0 HZ3 LYS A 64 -11.579 20.560 -25.144 1.00 63.31 H new ATOM 1061 N LYS A 65 -3.970 20.073 -23.452 1.00 24.21 N ATOM 1062 CA LYS A 65 -2.769 20.101 -24.279 1.00 74.15 C ATOM 1063 C LYS A 65 -1.966 18.814 -24.117 1.00 53.32 C ATOM 1064 O LYS A 65 -1.561 18.197 -25.101 1.00 70.43 O ATOM 1065 CB LYS A 65 -1.901 21.307 -23.913 1.00 62.54 C ATOM 1066 CG LYS A 65 -2.694 22.490 -23.387 1.00 2.11 C ATOM 1067 CD LYS A 65 -3.711 22.977 -24.405 1.00 73.10 C ATOM 1068 CE LYS A 65 -3.749 24.496 -24.473 1.00 32.12 C ATOM 1069 NZ LYS A 65 -4.187 24.981 -25.811 1.00 61.31 N ATOM 0 H LYS A 65 -3.862 20.511 -22.537 1.00 24.21 H new ATOM 0 HA LYS A 65 -3.077 20.186 -25.321 1.00 74.15 H new ATOM 0 HB2 LYS A 65 -1.173 21.005 -23.160 1.00 62.54 H new ATOM 0 HB3 LYS A 65 -1.339 21.620 -24.793 1.00 62.54 H new ATOM 0 HG2 LYS A 65 -3.206 22.206 -22.467 1.00 2.11 H new ATOM 0 HG3 LYS A 65 -2.013 23.303 -23.135 1.00 2.11 H new ATOM 0 HD2 LYS A 65 -3.465 22.574 -25.388 1.00 73.10 H new ATOM 0 HD3 LYS A 65 -4.699 22.599 -24.143 1.00 73.10 H new ATOM 0 HE2 LYS A 65 -4.427 24.877 -23.709 1.00 32.12 H new ATOM 0 HE3 LYS A 65 -2.760 24.894 -24.248 1.00 32.12 H new ATOM 0 HZ1 LYS A 65 -4.200 26.021 -25.816 1.00 61.31 H new ATOM 0 HZ2 LYS A 65 -3.526 24.639 -26.538 1.00 61.31 H new ATOM 0 HZ3 LYS A 65 -5.142 24.622 -26.015 1.00 61.31 H new ATOM 1083 N MET A 66 -1.742 18.416 -22.869 1.00 65.14 N ATOM 1084 CA MET A 66 -0.989 17.201 -22.580 1.00 31.25 C ATOM 1085 C MET A 66 -1.718 15.970 -23.109 1.00 54.33 C ATOM 1086 O MET A 66 -1.139 14.888 -23.207 1.00 14.22 O ATOM 1087 CB MET A 66 -0.761 17.064 -21.073 1.00 32.31 C ATOM 1088 CG MET A 66 0.229 15.971 -20.705 1.00 71.40 C ATOM 1089 SD MET A 66 1.825 16.627 -20.181 1.00 35.43 S ATOM 1090 CE MET A 66 2.788 16.409 -21.675 1.00 73.11 C ATOM 0 H MET A 66 -2.070 18.916 -22.043 1.00 65.14 H new ATOM 0 HA MET A 66 -0.024 17.273 -23.082 1.00 31.25 H new ATOM 0 HB2 MET A 66 -0.402 18.015 -20.680 1.00 32.31 H new ATOM 0 HB3 MET A 66 -1.715 16.858 -20.587 1.00 32.31 H new ATOM 0 HG2 MET A 66 -0.190 15.362 -19.904 1.00 71.40 H new ATOM 0 HG3 MET A 66 0.374 15.314 -21.563 1.00 71.40 H new ATOM 0 HE1 MET A 66 3.803 16.769 -21.509 1.00 73.11 H new ATOM 0 HE2 MET A 66 2.817 15.352 -21.938 1.00 73.11 H new ATOM 0 HE3 MET A 66 2.331 16.973 -22.488 1.00 73.11 H new ATOM 1100 N ARG A 67 -2.991 16.143 -23.450 1.00 14.34 N ATOM 1101 CA ARG A 67 -3.800 15.046 -23.968 1.00 4.11 C ATOM 1102 C ARG A 67 -3.097 14.358 -25.135 1.00 33.54 C ATOM 1103 O ARG A 67 -3.380 13.201 -25.446 1.00 12.21 O ATOM 1104 CB ARG A 67 -5.169 15.560 -24.415 1.00 13.21 C ATOM 1105 CG ARG A 67 -6.330 14.946 -23.649 1.00 41.04 C ATOM 1106 CD ARG A 67 -7.568 15.827 -23.713 1.00 43.10 C ATOM 1107 NE ARG A 67 -8.769 15.061 -24.036 1.00 45.33 N ATOM 1108 CZ ARG A 67 -9.095 14.692 -25.270 1.00 3.11 C ATOM 1109 NH1 ARG A 67 -8.314 15.016 -26.291 1.00 4.41 N ATOM 1110 NH2 ARG A 67 -10.204 13.996 -25.484 1.00 52.40 N ATOM 0 H ARG A 67 -3.484 17.033 -23.377 1.00 14.34 H new ATOM 0 HA ARG A 67 -3.937 14.319 -23.168 1.00 4.11 H new ATOM 0 HB2 ARG A 67 -5.198 16.643 -24.295 1.00 13.21 H new ATOM 0 HB3 ARG A 67 -5.296 15.353 -25.478 1.00 13.21 H new ATOM 0 HG2 ARG A 67 -6.560 13.963 -24.061 1.00 41.04 H new ATOM 0 HG3 ARG A 67 -6.042 14.796 -22.608 1.00 41.04 H new ATOM 0 HD2 ARG A 67 -7.705 16.329 -22.756 1.00 43.10 H new ATOM 0 HD3 ARG A 67 -7.421 16.604 -24.463 1.00 43.10 H new ATOM 0 HE ARG A 67 -9.391 14.795 -23.273 1.00 45.33 H new ATOM 0 HH11 ARG A 67 -7.460 15.550 -26.130 1.00 4.41 H new ATOM 0 HH12 ARG A 67 -8.567 14.731 -27.237 1.00 4.41 H new ATOM 0 HH21 ARG A 67 -10.807 13.744 -24.701 1.00 52.40 H new ATOM 0 HH22 ARG A 67 -10.454 13.713 -26.432 1.00 52.40 H new ATOM 1124 N GLU A 68 -2.182 15.077 -25.775 1.00 45.14 N ATOM 1125 CA GLU A 68 -1.441 14.535 -26.908 1.00 45.13 C ATOM 1126 C GLU A 68 -0.625 13.314 -26.491 1.00 54.34 C ATOM 1127 O GLU A 68 -0.455 12.373 -27.267 1.00 35.22 O ATOM 1128 CB GLU A 68 -0.516 15.602 -27.499 1.00 31.20 C ATOM 1129 CG GLU A 68 0.559 16.076 -26.536 1.00 43.00 C ATOM 1130 CD GLU A 68 0.990 17.506 -26.801 1.00 21.43 C ATOM 1131 OE1 GLU A 68 0.518 18.092 -27.797 1.00 60.14 O ATOM 1132 OE2 GLU A 68 1.799 18.038 -26.012 1.00 73.11 O ATOM 0 H GLU A 68 -1.936 16.036 -25.529 1.00 45.14 H new ATOM 0 HA GLU A 68 -2.161 14.228 -27.666 1.00 45.13 H new ATOM 0 HB2 GLU A 68 -0.040 15.202 -28.394 1.00 31.20 H new ATOM 0 HB3 GLU A 68 -1.115 16.457 -27.812 1.00 31.20 H new ATOM 0 HG2 GLU A 68 0.187 15.996 -25.514 1.00 43.00 H new ATOM 0 HG3 GLU A 68 1.425 15.419 -26.613 1.00 43.00 H new ATOM 1139 N HIS A 69 -0.123 13.338 -25.261 1.00 65.21 N ATOM 1140 CA HIS A 69 0.675 12.233 -24.740 1.00 1.41 C ATOM 1141 C HIS A 69 -0.147 11.372 -23.786 1.00 72.14 C ATOM 1142 O HIS A 69 0.327 10.348 -23.294 1.00 74.13 O ATOM 1143 CB HIS A 69 1.916 12.767 -24.023 1.00 32.42 C ATOM 1144 CG HIS A 69 3.094 12.959 -24.927 1.00 50.12 C ATOM 1145 ND1 HIS A 69 3.894 11.920 -25.353 1.00 75.43 N ATOM 1146 CD2 HIS A 69 3.605 14.080 -25.488 1.00 65.45 C ATOM 1147 CE1 HIS A 69 4.847 12.393 -26.136 1.00 31.50 C ATOM 1148 NE2 HIS A 69 4.694 13.701 -26.235 1.00 22.24 N ATOM 0 H HIS A 69 -0.254 14.109 -24.607 1.00 65.21 H new ATOM 0 HA HIS A 69 0.988 11.615 -25.581 1.00 1.41 H new ATOM 0 HB2 HIS A 69 1.672 13.719 -23.551 1.00 32.42 H new ATOM 0 HB3 HIS A 69 2.190 12.077 -23.225 1.00 32.42 H new ATOM 0 HD2 HIS A 69 3.227 15.085 -25.370 1.00 65.45 H new ATOM 0 HE1 HIS A 69 5.620 11.809 -26.614 1.00 31.50 H new ATOM 0 HE2 HIS A 69 5.288 14.328 -26.778 1.00 22.24 H new ATOM 1156 N SER A 70 -1.381 11.794 -23.530 1.00 11.34 N ATOM 1157 CA SER A 70 -2.268 11.064 -22.631 1.00 63.14 C ATOM 1158 C SER A 70 -2.712 9.746 -23.259 1.00 43.22 C ATOM 1159 O SER A 70 -3.308 8.900 -22.594 1.00 64.30 O ATOM 1160 CB SER A 70 -3.491 11.915 -22.285 1.00 31.31 C ATOM 1161 OG SER A 70 -4.381 12.000 -23.384 1.00 61.05 O ATOM 0 H SER A 70 -1.790 12.638 -23.932 1.00 11.34 H new ATOM 0 HA SER A 70 -1.718 10.844 -21.716 1.00 63.14 H new ATOM 0 HB2 SER A 70 -4.007 11.483 -21.428 1.00 31.31 H new ATOM 0 HB3 SER A 70 -3.171 12.916 -21.994 1.00 31.31 H new ATOM 0 HG SER A 70 -3.873 12.178 -24.203 1.00 61.05 H new ATOM 1167 N GLU A 71 -2.417 9.581 -24.545 1.00 4.41 N ATOM 1168 CA GLU A 71 -2.786 8.367 -25.263 1.00 51.43 C ATOM 1169 C GLU A 71 -2.026 7.161 -24.720 1.00 31.12 C ATOM 1170 O GLU A 71 -2.594 6.082 -24.545 1.00 51.33 O ATOM 1171 CB GLU A 71 -2.507 8.528 -26.759 1.00 41.41 C ATOM 1172 CG GLU A 71 -3.757 8.478 -27.621 1.00 35.54 C ATOM 1173 CD GLU A 71 -4.457 9.820 -27.713 1.00 61.35 C ATOM 1174 OE1 GLU A 71 -5.669 9.878 -27.419 1.00 32.14 O ATOM 1175 OE2 GLU A 71 -3.793 10.811 -28.081 1.00 1.30 O ATOM 0 H GLU A 71 -1.924 10.272 -25.110 1.00 4.41 H new ATOM 0 HA GLU A 71 -3.853 8.199 -25.115 1.00 51.43 H new ATOM 0 HB2 GLU A 71 -1.999 9.478 -26.925 1.00 41.41 H new ATOM 0 HB3 GLU A 71 -1.824 7.741 -27.079 1.00 41.41 H new ATOM 0 HG2 GLU A 71 -3.489 8.143 -28.623 1.00 35.54 H new ATOM 0 HG3 GLU A 71 -4.447 7.740 -27.211 1.00 35.54 H new ATOM 1182 N HIS A 72 -0.737 7.351 -24.455 1.00 14.13 N ATOM 1183 CA HIS A 72 0.102 6.279 -23.931 1.00 14.00 C ATOM 1184 C HIS A 72 0.002 6.204 -22.410 1.00 53.44 C ATOM 1185 O HIS A 72 0.295 5.171 -21.809 1.00 33.03 O ATOM 1186 CB HIS A 72 1.557 6.492 -24.348 1.00 60.22 C ATOM 1187 CG HIS A 72 1.791 6.315 -25.817 1.00 20.00 C ATOM 1188 ND1 HIS A 72 3.007 5.936 -26.345 1.00 41.01 N ATOM 1189 CD2 HIS A 72 0.955 6.466 -26.871 1.00 64.11 C ATOM 1190 CE1 HIS A 72 2.910 5.863 -27.661 1.00 11.25 C ATOM 1191 NE2 HIS A 72 1.675 6.180 -28.005 1.00 73.42 N ATOM 0 H HIS A 72 -0.251 8.237 -24.595 1.00 14.13 H new ATOM 0 HA HIS A 72 -0.253 5.336 -24.347 1.00 14.00 H new ATOM 0 HB2 HIS A 72 1.866 7.496 -24.058 1.00 60.22 H new ATOM 0 HB3 HIS A 72 2.189 5.793 -23.801 1.00 60.22 H new ATOM 0 HD2 HIS A 72 -0.084 6.757 -26.828 1.00 64.11 H new ATOM 0 HE1 HIS A 72 3.705 5.591 -28.339 1.00 11.25 H new ATOM 0 HE2 HIS A 72 1.314 6.208 -28.959 1.00 73.42 H new ATOM 1199 N PHE A 73 -0.413 7.307 -21.795 1.00 30.33 N ATOM 1200 CA PHE A 73 -0.550 7.367 -20.344 1.00 62.31 C ATOM 1201 C PHE A 73 -1.824 6.662 -19.888 1.00 54.34 C ATOM 1202 O PHE A 73 -1.790 5.795 -19.015 1.00 53.10 O ATOM 1203 CB PHE A 73 -0.561 8.822 -19.871 1.00 70.15 C ATOM 1204 CG PHE A 73 0.777 9.496 -19.974 1.00 64.20 C ATOM 1205 CD1 PHE A 73 0.885 10.777 -20.489 1.00 51.45 C ATOM 1206 CD2 PHE A 73 1.928 8.847 -19.555 1.00 41.44 C ATOM 1207 CE1 PHE A 73 2.115 11.401 -20.585 1.00 31.41 C ATOM 1208 CE2 PHE A 73 3.161 9.466 -19.648 1.00 33.31 C ATOM 1209 CZ PHE A 73 3.254 10.743 -20.164 1.00 45.35 C ATOM 0 H PHE A 73 -0.660 8.171 -22.278 1.00 30.33 H new ATOM 0 HA PHE A 73 0.305 6.855 -19.902 1.00 62.31 H new ATOM 0 HB2 PHE A 73 -1.287 9.382 -20.460 1.00 70.15 H new ATOM 0 HB3 PHE A 73 -0.897 8.856 -18.835 1.00 70.15 H new ATOM 0 HD1 PHE A 73 -0.003 11.295 -20.820 1.00 51.45 H new ATOM 0 HD2 PHE A 73 1.861 7.847 -19.152 1.00 41.44 H new ATOM 0 HE1 PHE A 73 2.185 12.400 -20.988 1.00 31.41 H new ATOM 0 HE2 PHE A 73 4.051 8.951 -19.317 1.00 33.31 H new ATOM 0 HZ PHE A 73 4.217 11.227 -20.238 1.00 45.35 H new ATOM 1219 N LYS A 74 -2.949 7.042 -20.486 1.00 22.21 N ATOM 1220 CA LYS A 74 -4.236 6.448 -20.144 1.00 23.12 C ATOM 1221 C LYS A 74 -4.169 4.926 -20.217 1.00 31.31 C ATOM 1222 O LYS A 74 -4.907 4.229 -19.522 1.00 34.23 O ATOM 1223 CB LYS A 74 -5.326 6.967 -21.084 1.00 32.12 C ATOM 1224 CG LYS A 74 -6.650 6.236 -20.942 1.00 60.20 C ATOM 1225 CD LYS A 74 -7.827 7.192 -21.031 1.00 15.12 C ATOM 1226 CE LYS A 74 -9.153 6.457 -20.908 1.00 32.24 C ATOM 1227 NZ LYS A 74 -9.607 6.364 -19.492 1.00 42.52 N ATOM 0 H LYS A 74 -2.995 7.759 -21.210 1.00 22.21 H new ATOM 0 HA LYS A 74 -4.480 6.735 -19.121 1.00 23.12 H new ATOM 0 HB2 LYS A 74 -5.484 8.028 -20.893 1.00 32.12 H new ATOM 0 HB3 LYS A 74 -4.979 6.877 -22.113 1.00 32.12 H new ATOM 0 HG2 LYS A 74 -6.735 5.480 -21.722 1.00 60.20 H new ATOM 0 HG3 LYS A 74 -6.677 5.712 -19.986 1.00 60.20 H new ATOM 0 HD2 LYS A 74 -7.750 7.940 -20.242 1.00 15.12 H new ATOM 0 HD3 LYS A 74 -7.792 7.726 -21.981 1.00 15.12 H new ATOM 0 HE2 LYS A 74 -9.910 6.973 -21.499 1.00 32.24 H new ATOM 0 HE3 LYS A 74 -9.052 5.454 -21.324 1.00 32.24 H new ATOM 0 HZ1 LYS A 74 -10.514 5.856 -19.451 1.00 42.52 H new ATOM 0 HZ2 LYS A 74 -8.897 5.850 -18.933 1.00 42.52 H new ATOM 0 HZ3 LYS A 74 -9.728 7.321 -19.103 1.00 42.52 H new ATOM 1241 N ALA A 75 -3.279 4.417 -21.062 1.00 63.12 N ATOM 1242 CA ALA A 75 -3.114 2.978 -21.223 1.00 24.42 C ATOM 1243 C ALA A 75 -2.162 2.414 -20.173 1.00 64.34 C ATOM 1244 O ALA A 75 -2.305 1.270 -19.741 1.00 1.05 O ATOM 1245 CB ALA A 75 -2.609 2.657 -22.622 1.00 53.11 C ATOM 0 H ALA A 75 -2.661 4.980 -21.646 1.00 63.12 H new ATOM 0 HA ALA A 75 -4.088 2.508 -21.084 1.00 24.42 H new ATOM 0 HB1 ALA A 75 -2.491 1.579 -22.728 1.00 53.11 H new ATOM 0 HB2 ALA A 75 -3.326 3.017 -23.359 1.00 53.11 H new ATOM 0 HB3 ALA A 75 -1.648 3.145 -22.783 1.00 53.11 H new ATOM 1251 N LYS A 76 -1.189 3.223 -19.768 1.00 62.22 N ATOM 1252 CA LYS A 76 -0.213 2.806 -18.769 1.00 25.33 C ATOM 1253 C LYS A 76 -0.906 2.249 -17.529 1.00 53.44 C ATOM 1254 O LYS A 76 -0.426 1.300 -16.910 1.00 62.13 O ATOM 1255 CB LYS A 76 0.684 3.983 -18.379 1.00 40.11 C ATOM 1256 CG LYS A 76 2.028 3.562 -17.810 1.00 51.11 C ATOM 1257 CD LYS A 76 3.173 4.304 -18.478 1.00 65.45 C ATOM 1258 CE LYS A 76 3.463 3.749 -19.865 1.00 20.22 C ATOM 1259 NZ LYS A 76 4.897 3.382 -20.027 1.00 42.31 N ATOM 0 H LYS A 76 -1.056 4.172 -20.117 1.00 62.22 H new ATOM 0 HA LYS A 76 0.401 2.018 -19.205 1.00 25.33 H new ATOM 0 HB2 LYS A 76 0.850 4.608 -19.256 1.00 40.11 H new ATOM 0 HB3 LYS A 76 0.164 4.597 -17.644 1.00 40.11 H new ATOM 0 HG2 LYS A 76 2.046 3.753 -16.737 1.00 51.11 H new ATOM 0 HG3 LYS A 76 2.161 2.489 -17.945 1.00 51.11 H new ATOM 0 HD2 LYS A 76 2.927 5.363 -18.553 1.00 65.45 H new ATOM 0 HD3 LYS A 76 4.068 4.227 -17.860 1.00 65.45 H new ATOM 0 HE2 LYS A 76 2.841 2.871 -20.042 1.00 20.22 H new ATOM 0 HE3 LYS A 76 3.191 4.490 -20.617 1.00 20.22 H new ATOM 0 HZ1 LYS A 76 5.054 3.008 -20.985 1.00 42.31 H new ATOM 0 HZ2 LYS A 76 5.489 4.225 -19.883 1.00 42.31 H new ATOM 0 HZ3 LYS A 76 5.151 2.657 -19.326 1.00 42.31 H new ATOM 1273 N PHE A 77 -2.039 2.846 -17.173 1.00 73.34 N ATOM 1274 CA PHE A 77 -2.800 2.409 -16.008 1.00 44.21 C ATOM 1275 C PHE A 77 -3.000 0.897 -16.025 1.00 31.40 C ATOM 1276 O PHE A 77 -2.963 0.243 -14.983 1.00 13.22 O ATOM 1277 CB PHE A 77 -4.157 3.114 -15.965 1.00 3.54 C ATOM 1278 CG PHE A 77 -4.348 3.971 -14.746 1.00 12.31 C ATOM 1279 CD1 PHE A 77 -4.760 5.289 -14.867 1.00 24.23 C ATOM 1280 CD2 PHE A 77 -4.116 3.459 -13.479 1.00 52.24 C ATOM 1281 CE1 PHE A 77 -4.937 6.080 -13.747 1.00 71.12 C ATOM 1282 CE2 PHE A 77 -4.292 4.245 -12.356 1.00 54.35 C ATOM 1283 CZ PHE A 77 -4.702 5.558 -12.491 1.00 32.45 C ATOM 0 H PHE A 77 -2.450 3.633 -17.674 1.00 73.34 H new ATOM 0 HA PHE A 77 -2.233 2.673 -15.115 1.00 44.21 H new ATOM 0 HB2 PHE A 77 -4.264 3.733 -16.855 1.00 3.54 H new ATOM 0 HB3 PHE A 77 -4.948 2.365 -16.001 1.00 3.54 H new ATOM 0 HD1 PHE A 77 -4.945 5.703 -15.847 1.00 24.23 H new ATOM 0 HD2 PHE A 77 -3.794 2.434 -13.368 1.00 52.24 H new ATOM 0 HE1 PHE A 77 -5.259 7.105 -13.855 1.00 71.12 H new ATOM 0 HE2 PHE A 77 -4.109 3.834 -11.374 1.00 54.35 H new ATOM 0 HZ PHE A 77 -4.838 6.175 -11.615 1.00 32.45 H new ATOM 1293 N ALA A 78 -3.213 0.347 -17.216 1.00 51.32 N ATOM 1294 CA ALA A 78 -3.418 -1.088 -17.370 1.00 52.41 C ATOM 1295 C ALA A 78 -2.178 -1.868 -16.948 1.00 43.24 C ATOM 1296 O ALA A 78 -2.281 -2.947 -16.366 1.00 1.20 O ATOM 1297 CB ALA A 78 -3.787 -1.417 -18.809 1.00 52.31 C ATOM 0 H ALA A 78 -3.248 0.874 -18.089 1.00 51.32 H new ATOM 0 HA ALA A 78 -4.240 -1.385 -16.719 1.00 52.41 H new ATOM 0 HB1 ALA A 78 -3.937 -2.492 -18.909 1.00 52.31 H new ATOM 0 HB2 ALA A 78 -4.706 -0.896 -19.077 1.00 52.31 H new ATOM 0 HB3 ALA A 78 -2.983 -1.099 -19.473 1.00 52.31 H new ATOM 1303 N GLU A 79 -1.006 -1.315 -17.247 1.00 53.24 N ATOM 1304 CA GLU A 79 0.254 -1.961 -16.900 1.00 33.31 C ATOM 1305 C GLU A 79 0.700 -1.563 -15.496 1.00 64.21 C ATOM 1306 O GLU A 79 1.480 -2.270 -14.856 1.00 71.43 O ATOM 1307 CB GLU A 79 1.338 -1.594 -17.915 1.00 71.23 C ATOM 1308 CG GLU A 79 2.750 -1.852 -17.418 1.00 22.32 C ATOM 1309 CD GLU A 79 3.777 -1.816 -18.533 1.00 22.22 C ATOM 1310 OE1 GLU A 79 4.454 -2.843 -18.748 1.00 64.32 O ATOM 1311 OE2 GLU A 79 3.904 -0.762 -19.190 1.00 0.14 O ATOM 0 H GLU A 79 -0.904 -0.422 -17.728 1.00 53.24 H new ATOM 0 HA GLU A 79 0.098 -3.040 -16.921 1.00 33.31 H new ATOM 0 HB2 GLU A 79 1.174 -2.163 -18.830 1.00 71.23 H new ATOM 0 HB3 GLU A 79 1.240 -0.540 -18.173 1.00 71.23 H new ATOM 0 HG2 GLU A 79 3.009 -1.106 -16.667 1.00 22.32 H new ATOM 0 HG3 GLU A 79 2.786 -2.824 -16.927 1.00 22.32 H new ATOM 1318 N LEU A 80 0.202 -0.426 -15.023 1.00 73.33 N ATOM 1319 CA LEU A 80 0.549 0.068 -13.695 1.00 71.33 C ATOM 1320 C LEU A 80 0.334 -1.012 -12.639 1.00 42.24 C ATOM 1321 O LEU A 80 1.170 -1.207 -11.756 1.00 44.41 O ATOM 1322 CB LEU A 80 -0.286 1.303 -13.355 1.00 10.41 C ATOM 1323 CG LEU A 80 0.490 2.607 -13.168 1.00 43.40 C ATOM 1324 CD1 LEU A 80 1.398 2.519 -11.951 1.00 33.32 C ATOM 1325 CD2 LEU A 80 1.299 2.930 -14.416 1.00 41.20 C ATOM 0 H LEU A 80 -0.444 0.171 -15.539 1.00 73.33 H new ATOM 0 HA LEU A 80 1.604 0.341 -13.700 1.00 71.33 H new ATOM 0 HB2 LEU A 80 -1.019 1.451 -14.148 1.00 10.41 H new ATOM 0 HB3 LEU A 80 -0.842 1.100 -12.440 1.00 10.41 H new ATOM 0 HG LEU A 80 -0.226 3.412 -13.004 1.00 43.40 H new ATOM 0 HD11 LEU A 80 1.942 3.456 -11.834 1.00 33.32 H new ATOM 0 HD12 LEU A 80 0.796 2.335 -11.061 1.00 33.32 H new ATOM 0 HD13 LEU A 80 2.107 1.702 -12.085 1.00 33.32 H new ATOM 0 HD21 LEU A 80 1.845 3.861 -14.265 1.00 41.20 H new ATOM 0 HD22 LEU A 80 2.005 2.123 -14.611 1.00 41.20 H new ATOM 0 HD23 LEU A 80 0.627 3.037 -15.268 1.00 41.20 H new ATOM 1337 N LEU A 81 -0.790 -1.713 -12.737 1.00 50.45 N ATOM 1338 CA LEU A 81 -1.114 -2.775 -11.792 1.00 32.20 C ATOM 1339 C LEU A 81 -0.027 -3.845 -11.781 1.00 71.15 C ATOM 1340 O LEU A 81 0.233 -4.468 -10.753 1.00 23.12 O ATOM 1341 CB LEU A 81 -2.463 -3.405 -12.145 1.00 65.44 C ATOM 1342 CG LEU A 81 -3.593 -3.180 -11.140 1.00 64.42 C ATOM 1343 CD1 LEU A 81 -3.226 -3.766 -9.785 1.00 51.42 C ATOM 1344 CD2 LEU A 81 -3.908 -1.697 -11.015 1.00 44.10 C ATOM 0 H LEU A 81 -1.492 -1.565 -13.462 1.00 50.45 H new ATOM 0 HA LEU A 81 -1.175 -2.335 -10.796 1.00 32.20 H new ATOM 0 HB2 LEU A 81 -2.781 -3.016 -13.112 1.00 65.44 H new ATOM 0 HB3 LEU A 81 -2.319 -4.479 -12.265 1.00 65.44 H new ATOM 0 HG LEU A 81 -4.485 -3.690 -11.504 1.00 64.42 H new ATOM 0 HD11 LEU A 81 -4.042 -3.597 -9.082 1.00 51.42 H new ATOM 0 HD12 LEU A 81 -3.051 -4.837 -9.887 1.00 51.42 H new ATOM 0 HD13 LEU A 81 -2.321 -3.285 -9.413 1.00 51.42 H new ATOM 0 HD21 LEU A 81 -4.715 -1.556 -10.296 1.00 44.10 H new ATOM 0 HD22 LEU A 81 -3.020 -1.164 -10.674 1.00 44.10 H new ATOM 0 HD23 LEU A 81 -4.215 -1.307 -11.985 1.00 44.10 H new ATOM 1356 N GLU A 82 0.605 -4.051 -12.933 1.00 1.53 N ATOM 1357 CA GLU A 82 1.665 -5.044 -13.054 1.00 62.35 C ATOM 1358 C GLU A 82 3.012 -4.456 -12.643 1.00 31.43 C ATOM 1359 O GLU A 82 3.848 -5.145 -12.059 1.00 22.11 O ATOM 1360 CB GLU A 82 1.742 -5.567 -14.490 1.00 62.05 C ATOM 1361 CG GLU A 82 0.402 -6.015 -15.048 1.00 15.11 C ATOM 1362 CD GLU A 82 -0.147 -7.237 -14.337 1.00 41.02 C ATOM 1363 OE1 GLU A 82 0.624 -8.197 -14.129 1.00 3.05 O ATOM 1364 OE2 GLU A 82 -1.346 -7.234 -13.990 1.00 53.22 O ATOM 0 H GLU A 82 0.401 -3.544 -13.794 1.00 1.53 H new ATOM 0 HA GLU A 82 1.430 -5.872 -12.385 1.00 62.35 H new ATOM 0 HB2 GLU A 82 2.150 -4.785 -15.131 1.00 62.05 H new ATOM 0 HB3 GLU A 82 2.439 -6.404 -14.526 1.00 62.05 H new ATOM 0 HG2 GLU A 82 -0.314 -5.198 -14.963 1.00 15.11 H new ATOM 0 HG3 GLU A 82 0.510 -6.235 -16.110 1.00 15.11 H new ATOM 1371 N GLN A 83 3.213 -3.180 -12.952 1.00 40.41 N ATOM 1372 CA GLN A 83 4.458 -2.500 -12.616 1.00 1.54 C ATOM 1373 C GLN A 83 4.732 -2.576 -11.117 1.00 65.13 C ATOM 1374 O GLN A 83 5.878 -2.465 -10.681 1.00 33.23 O ATOM 1375 CB GLN A 83 4.402 -1.037 -13.062 1.00 30.43 C ATOM 1376 CG GLN A 83 5.375 -0.705 -14.181 1.00 60.24 C ATOM 1377 CD GLN A 83 5.957 0.689 -14.054 1.00 60.23 C ATOM 1378 OE1 GLN A 83 5.896 1.487 -14.990 1.00 2.11 O ATOM 1379 NE2 GLN A 83 6.526 0.990 -12.893 1.00 34.43 N ATOM 0 H GLN A 83 2.530 -2.596 -13.434 1.00 40.41 H new ATOM 0 HA GLN A 83 5.270 -3.002 -13.142 1.00 1.54 H new ATOM 0 HB2 GLN A 83 3.389 -0.805 -13.391 1.00 30.43 H new ATOM 0 HB3 GLN A 83 4.613 -0.396 -12.206 1.00 30.43 H new ATOM 0 HG2 GLN A 83 6.185 -1.434 -14.181 1.00 60.24 H new ATOM 0 HG3 GLN A 83 4.865 -0.796 -15.140 1.00 60.24 H new ATOM 0 HE21 GLN A 83 6.554 0.298 -12.144 1.00 34.43 H new ATOM 0 HE22 GLN A 83 6.935 1.913 -12.750 1.00 34.43 H new ATOM 1388 N GLN A 84 3.674 -2.766 -10.336 1.00 2.01 N ATOM 1389 CA GLN A 84 3.802 -2.856 -8.886 1.00 61.12 C ATOM 1390 C GLN A 84 4.891 -3.850 -8.497 1.00 4.15 C ATOM 1391 O GLN A 84 5.549 -3.695 -7.467 1.00 73.20 O ATOM 1392 CB GLN A 84 2.469 -3.271 -8.260 1.00 43.24 C ATOM 1393 CG GLN A 84 2.087 -4.714 -8.544 1.00 20.51 C ATOM 1394 CD GLN A 84 2.638 -5.678 -7.511 1.00 43.24 C ATOM 1395 OE1 GLN A 84 2.898 -5.299 -6.369 1.00 22.42 O ATOM 1396 NE2 GLN A 84 2.820 -6.932 -7.909 1.00 12.24 N ATOM 0 H GLN A 84 2.719 -2.861 -10.682 1.00 2.01 H new ATOM 0 HA GLN A 84 4.082 -1.872 -8.509 1.00 61.12 H new ATOM 0 HB2 GLN A 84 2.522 -3.123 -7.181 1.00 43.24 H new ATOM 0 HB3 GLN A 84 1.682 -2.615 -8.633 1.00 43.24 H new ATOM 0 HG2 GLN A 84 1.001 -4.799 -8.572 1.00 20.51 H new ATOM 0 HG3 GLN A 84 2.455 -4.996 -9.531 1.00 20.51 H new ATOM 0 HE21 GLN A 84 2.591 -7.202 -8.866 1.00 12.24 H new ATOM 0 HE22 GLN A 84 3.189 -7.625 -7.258 1.00 12.24 H new ATOM 1405 N LYS A 85 5.078 -4.871 -9.326 1.00 35.33 N ATOM 1406 CA LYS A 85 6.088 -5.891 -9.070 1.00 34.15 C ATOM 1407 C LYS A 85 7.455 -5.442 -9.575 1.00 11.20 C ATOM 1408 O LYS A 85 8.436 -5.455 -8.833 1.00 40.30 O ATOM 1409 CB LYS A 85 5.692 -7.209 -9.739 1.00 65.22 C ATOM 1410 CG LYS A 85 5.582 -8.374 -8.771 1.00 32.21 C ATOM 1411 CD LYS A 85 6.951 -8.875 -8.343 1.00 31.43 C ATOM 1412 CE LYS A 85 6.840 -10.067 -7.404 1.00 13.34 C ATOM 1413 NZ LYS A 85 8.101 -10.856 -7.357 1.00 64.34 N ATOM 0 H LYS A 85 4.543 -5.014 -10.182 1.00 35.33 H new ATOM 0 HA LYS A 85 6.151 -6.042 -7.992 1.00 34.15 H new ATOM 0 HB2 LYS A 85 4.736 -7.077 -10.245 1.00 65.22 H new ATOM 0 HB3 LYS A 85 6.427 -7.453 -10.506 1.00 65.22 H new ATOM 0 HG2 LYS A 85 5.015 -8.066 -7.892 1.00 32.21 H new ATOM 0 HG3 LYS A 85 5.027 -9.186 -9.240 1.00 32.21 H new ATOM 0 HD2 LYS A 85 7.528 -9.157 -9.224 1.00 31.43 H new ATOM 0 HD3 LYS A 85 7.496 -8.071 -7.849 1.00 31.43 H new ATOM 0 HE2 LYS A 85 6.593 -9.718 -6.402 1.00 13.34 H new ATOM 0 HE3 LYS A 85 6.022 -10.710 -7.728 1.00 13.34 H new ATOM 0 HZ1 LYS A 85 7.984 -11.659 -6.706 1.00 64.34 H new ATOM 0 HZ2 LYS A 85 8.324 -11.211 -8.309 1.00 64.34 H new ATOM 0 HZ3 LYS A 85 8.877 -10.250 -7.023 1.00 64.34 H new ATOM 1427 N ASN A 86 7.511 -5.044 -10.842 1.00 12.42 N ATOM 1428 CA ASN A 86 8.758 -4.589 -11.446 1.00 21.13 C ATOM 1429 C ASN A 86 9.415 -3.509 -10.591 1.00 34.31 C ATOM 1430 O ASN A 86 10.630 -3.508 -10.401 1.00 4.42 O ATOM 1431 CB ASN A 86 8.501 -4.053 -12.855 1.00 72.14 C ATOM 1432 CG ASN A 86 9.681 -4.274 -13.782 1.00 74.13 C ATOM 1433 OD1 ASN A 86 10.482 -3.368 -14.011 1.00 64.44 O ATOM 1434 ND2 ASN A 86 9.791 -5.483 -14.321 1.00 4.13 N ATOM 0 H ASN A 86 6.707 -5.027 -11.470 1.00 12.42 H new ATOM 0 HA ASN A 86 9.435 -5.441 -11.507 1.00 21.13 H new ATOM 0 HB2 ASN A 86 7.619 -4.541 -13.271 1.00 72.14 H new ATOM 0 HB3 ASN A 86 8.280 -2.987 -12.801 1.00 72.14 H new ATOM 0 HD21 ASN A 86 10.564 -5.691 -14.954 1.00 4.13 H new ATOM 0 HD22 ASN A 86 9.103 -6.203 -14.102 1.00 4.13 H new ATOM 1441 N ALA A 87 8.601 -2.593 -10.078 1.00 13.54 N ATOM 1442 CA ALA A 87 9.101 -1.509 -9.241 1.00 24.01 C ATOM 1443 C ALA A 87 9.966 -2.047 -8.106 1.00 0.43 C ATOM 1444 O ALA A 87 11.137 -1.688 -7.983 1.00 30.41 O ATOM 1445 CB ALA A 87 7.944 -0.694 -8.685 1.00 14.44 C ATOM 0 H ALA A 87 7.592 -2.580 -10.227 1.00 13.54 H new ATOM 0 HA ALA A 87 9.721 -0.861 -9.860 1.00 24.01 H new ATOM 0 HB1 ALA A 87 8.333 0.112 -8.062 1.00 14.44 H new ATOM 0 HB2 ALA A 87 7.368 -0.271 -9.508 1.00 14.44 H new ATOM 0 HB3 ALA A 87 7.300 -1.338 -8.086 1.00 14.44 H new ATOM 1451 N GLN A 88 9.381 -2.907 -7.279 1.00 12.13 N ATOM 1452 CA GLN A 88 10.099 -3.492 -6.153 1.00 33.15 C ATOM 1453 C GLN A 88 10.652 -2.406 -5.236 1.00 10.11 C ATOM 1454 O GLN A 88 11.621 -2.626 -4.510 1.00 25.42 O ATOM 1455 CB GLN A 88 11.238 -4.382 -6.653 1.00 75.14 C ATOM 1456 CG GLN A 88 11.580 -5.522 -5.708 1.00 33.12 C ATOM 1457 CD GLN A 88 12.497 -6.550 -6.341 1.00 2.34 C ATOM 1458 OE1 GLN A 88 13.200 -6.259 -7.309 1.00 5.44 O ATOM 1459 NE2 GLN A 88 12.495 -7.761 -5.796 1.00 3.33 N ATOM 0 H GLN A 88 8.412 -3.214 -7.367 1.00 12.13 H new ATOM 0 HA GLN A 88 9.396 -4.100 -5.583 1.00 33.15 H new ATOM 0 HB2 GLN A 88 10.965 -4.796 -7.624 1.00 75.14 H new ATOM 0 HB3 GLN A 88 12.126 -3.769 -6.806 1.00 75.14 H new ATOM 0 HG2 GLN A 88 12.056 -5.118 -4.814 1.00 33.12 H new ATOM 0 HG3 GLN A 88 10.660 -6.010 -5.386 1.00 33.12 H new ATOM 0 HE21 GLN A 88 11.896 -7.958 -4.994 1.00 3.33 H new ATOM 0 HE22 GLN A 88 13.092 -8.494 -6.179 1.00 3.33 H new ATOM 1468 N PHE A 89 10.030 -1.232 -5.275 1.00 32.31 N ATOM 1469 CA PHE A 89 10.461 -0.111 -4.449 1.00 11.34 C ATOM 1470 C PHE A 89 10.202 -0.392 -2.971 1.00 70.34 C ATOM 1471 O PHE A 89 9.397 -1.251 -2.609 1.00 3.42 O ATOM 1472 CB PHE A 89 9.736 1.169 -4.870 1.00 52.11 C ATOM 1473 CG PHE A 89 10.532 2.027 -5.811 1.00 4.20 C ATOM 1474 CD1 PHE A 89 11.017 1.509 -7.001 1.00 31.51 C ATOM 1475 CD2 PHE A 89 10.797 3.352 -5.505 1.00 41.41 C ATOM 1476 CE1 PHE A 89 11.750 2.296 -7.869 1.00 70.51 C ATOM 1477 CE2 PHE A 89 11.529 4.144 -6.370 1.00 1.35 C ATOM 1478 CZ PHE A 89 12.007 3.615 -7.552 1.00 62.13 C ATOM 0 H PHE A 89 9.226 -1.033 -5.870 1.00 32.31 H new ATOM 0 HA PHE A 89 11.533 0.022 -4.593 1.00 11.34 H new ATOM 0 HB2 PHE A 89 8.792 0.903 -5.345 1.00 52.11 H new ATOM 0 HB3 PHE A 89 9.493 1.749 -3.980 1.00 52.11 H new ATOM 0 HD1 PHE A 89 10.820 0.478 -7.253 1.00 31.51 H new ATOM 0 HD2 PHE A 89 10.428 3.771 -4.581 1.00 41.41 H new ATOM 0 HE1 PHE A 89 12.121 1.880 -8.794 1.00 70.51 H new ATOM 0 HE2 PHE A 89 11.727 5.176 -6.121 1.00 1.35 H new ATOM 0 HZ PHE A 89 12.581 4.232 -8.228 1.00 62.13 H new ATOM 1488 N PRO A 90 10.901 0.347 -2.097 1.00 54.34 N ATOM 1489 CA PRO A 90 10.764 0.196 -0.646 1.00 3.13 C ATOM 1490 C PRO A 90 9.415 0.691 -0.135 1.00 61.35 C ATOM 1491 O PRO A 90 8.915 1.725 -0.576 1.00 3.14 O ATOM 1492 CB PRO A 90 11.897 1.064 -0.091 1.00 34.12 C ATOM 1493 CG PRO A 90 12.151 2.079 -1.151 1.00 73.34 C ATOM 1494 CD PRO A 90 11.877 1.389 -2.459 1.00 21.50 C ATOM 0 HA PRO A 90 10.818 -0.848 -0.339 1.00 3.13 H new ATOM 0 HB2 PRO A 90 11.610 1.536 0.849 1.00 34.12 H new ATOM 0 HB3 PRO A 90 12.789 0.470 0.110 1.00 34.12 H new ATOM 0 HG2 PRO A 90 11.503 2.946 -1.024 1.00 73.34 H new ATOM 0 HG3 PRO A 90 13.179 2.440 -1.108 1.00 73.34 H new ATOM 0 HD2 PRO A 90 11.473 2.078 -3.200 1.00 21.50 H new ATOM 0 HD3 PRO A 90 12.784 0.960 -2.885 1.00 21.50 H new ATOM 1502 N GLY A 91 8.830 -0.056 0.797 1.00 50.35 N ATOM 1503 CA GLY A 91 7.544 0.324 1.351 1.00 31.14 C ATOM 1504 C GLY A 91 7.412 -0.047 2.815 1.00 13.12 C ATOM 1505 O GLY A 91 7.547 0.805 3.694 1.00 35.41 O ATOM 0 H GLY A 91 9.224 -0.917 1.178 1.00 50.35 H new ATOM 0 HA2 GLY A 91 7.406 1.399 1.238 1.00 31.14 H new ATOM 0 HA3 GLY A 91 6.750 -0.161 0.783 1.00 31.14 H new ATOM 1509 N LYS A 92 7.145 -1.322 3.079 1.00 4.42 N ATOM 1510 CA LYS A 92 6.994 -1.805 4.447 1.00 40.25 C ATOM 1511 C LYS A 92 8.132 -2.750 4.819 1.00 50.23 C ATOM 1512 O LYS A 92 8.467 -2.901 5.994 1.00 71.21 O ATOM 1513 CB LYS A 92 5.650 -2.518 4.611 1.00 0.15 C ATOM 1514 CG LYS A 92 4.858 -2.052 5.821 1.00 44.40 C ATOM 1515 CD LYS A 92 3.365 -2.039 5.539 1.00 23.12 C ATOM 1516 CE LYS A 92 2.976 -0.870 4.647 1.00 63.40 C ATOM 1517 NZ LYS A 92 2.793 -1.291 3.230 1.00 5.02 N ATOM 0 H LYS A 92 7.029 -2.040 2.363 1.00 4.42 H new ATOM 0 HA LYS A 92 7.027 -0.945 5.116 1.00 40.25 H new ATOM 0 HB2 LYS A 92 5.052 -2.360 3.713 1.00 0.15 H new ATOM 0 HB3 LYS A 92 5.825 -3.591 4.693 1.00 0.15 H new ATOM 0 HG2 LYS A 92 5.064 -2.708 6.666 1.00 44.40 H new ATOM 0 HG3 LYS A 92 5.184 -1.052 6.107 1.00 44.40 H new ATOM 0 HD2 LYS A 92 3.076 -2.975 5.061 1.00 23.12 H new ATOM 0 HD3 LYS A 92 2.817 -1.979 6.479 1.00 23.12 H new ATOM 0 HE2 LYS A 92 2.052 -0.424 5.015 1.00 63.40 H new ATOM 0 HE3 LYS A 92 3.746 -0.100 4.701 1.00 63.40 H new ATOM 0 HZ1 LYS A 92 3.664 -1.097 2.695 1.00 5.02 H new ATOM 0 HZ2 LYS A 92 2.584 -2.309 3.195 1.00 5.02 H new ATOM 0 HZ3 LYS A 92 2.003 -0.761 2.810 1.00 5.02 H new TER 1531 LYS A 92