USER MOD reduce.3.24.130724 H: found=0, std=0, add=1112, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1105 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 112 MET CE :methyl -128:sc= -1.01 (180deg=-1.09) USER MOD Set 1.2: A 134 HIS : no HE2:sc= -1.57! K(o=-2.4!,f=-2.9) USER MOD Set 1.3: A 138 TYR OH : rot 172:sc= 0.182 USER MOD Set 2.1: A 85 THR OG1 : rot -155:sc= 1.64 USER MOD Set 2.2: A 98 GLN : amide:sc= -4.08! C(o=-2.4!,f=-6.9!) USER MOD Set 3.1: A 84 SER OG : rot -179:sc= -1.29! USER MOD Set 3.2: A 99 SER OG : rot 45:sc= 0.812 USER MOD Set 4.1: A 72 ASN : amide:sc= 0.046 K(o=0.37,f=-2) USER MOD Set 4.2: A 87 HIS : no HD1:sc= 0.326 K(o=0.37,f=-2) USER MOD Set 5.1: A 47 THR OG1 : rot 128:sc= 0.097 USER MOD Set 5.2: A 61 GLN : amide:sc= -5.3! C(o=-5.2!,f=-4.9!) USER MOD Set 6.1: A 29 LYS NZ :NH3+ 175:sc= 1.19 (180deg=0) USER MOD Set 6.2: A 43 TYR OH : rot 21:sc= 2.38 USER MOD Set 7.1: A 19 TYR OH : rot 180:sc= 0 USER MOD Set 7.2: A 62 MET CE :methyl -177:sc= -0.612 (180deg=-0.66) USER MOD Set 8.1: A 14 GLN : amide:sc= 0.76 K(o=0.64,f=-2.1) USER MOD Set 8.2: A 55 TYR OH : rot -160:sc= -0.116 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 HIS : no HE2:sc= -1.03 K(o=-1,f=-6.6!) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -1.11 K(o=-1.1,f=-0.54) USER MOD Single : A 12 HIS : no HD1:sc= -0.496 K(o=-0.5,f=-1.8) USER MOD Single : A 17 LYS NZ :NH3+ -164:sc= 1.26 (180deg=0.883) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 HIS : no HD1:sc= -0.269 X(o=-0.27,f=-0.0024) USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 95:sc= 1.22 USER MOD Single : A 36 MET CE :methyl 176:sc= -1.33 (180deg=-1.38) USER MOD Single : A 51 GLN : amide:sc= -4.28! K(o=-4.3!,f=-0.56) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= -0.0077 (180deg=-0.0077) USER MOD Single : A 60 LYS NZ :NH3+ 158:sc= -0.0201 (180deg=-0.915) USER MOD Single : A 66 SER OG : rot 41:sc= 0.338 USER MOD Single : A 69 SER OG : rot -56:sc= 1.25 USER MOD Single : A 70 LYS NZ :NH3+ -171:sc= -0.0163 (180deg=-0.0891) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -1.46! K(o=-1.5!,f=-0.0035) USER MOD Single : A 94 SER OG : rot -0:sc= 2.04 USER MOD Single : A 102 GLN : amide:sc= -1.41 K(o=-1.4,f=-0.31) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 111 HIS : no HD1:sc= -0.0205 X(o=-0.021,f=-0.07) USER MOD Single : A 113 GLN : amide:sc= -2.32! C(o=-2.3!,f=-1.8!) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 ASN : amide:sc= -0.147 K(o=-0.15,f=-0.95) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 THR OG1 : rot 95:sc= 1.26 USER MOD Single : A 125 LYS NZ :NH3+ 157:sc= 1.1! (180deg=0.407) USER MOD Single : A 135 MET CE :methyl 137:sc= -1 (180deg=-2.86!) USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 137 THR OG1 : rot 180:sc= 0 USER MOD Single : A 139 SER OG : rot 180:sc= -0.146 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 32.740 10.922 -8.492 1.00 0.00 N ATOM 2 CA ALA A 1 32.943 11.570 -7.197 1.00 0.00 C ATOM 3 C ALA A 1 34.315 11.218 -6.645 1.00 0.00 C ATOM 4 O ALA A 1 35.214 12.051 -6.589 1.00 0.00 O ATOM 5 CB ALA A 1 31.842 11.180 -6.209 1.00 0.00 C ATOM 0 H1 ALA A 1 31.799 11.169 -8.860 1.00 0.00 H new ATOM 0 H2 ALA A 1 33.469 11.245 -9.160 1.00 0.00 H new ATOM 0 H3 ALA A 1 32.807 9.890 -8.378 1.00 0.00 H new ATOM 0 HA ALA A 1 32.892 12.649 -7.340 1.00 0.00 H new ATOM 0 HB1 ALA A 1 32.017 11.676 -5.254 1.00 0.00 H new ATOM 0 HB2 ALA A 1 30.873 11.486 -6.604 1.00 0.00 H new ATOM 0 HB3 ALA A 1 31.850 10.100 -6.064 1.00 0.00 H new ATOM 13 N GLU A 2 34.482 9.986 -6.275 1.00 0.00 N ATOM 14 CA GLU A 2 35.719 9.505 -5.727 1.00 0.00 C ATOM 15 C GLU A 2 35.908 8.097 -6.207 1.00 0.00 C ATOM 16 O GLU A 2 34.982 7.533 -6.811 1.00 0.00 O ATOM 17 CB GLU A 2 35.679 9.569 -4.188 1.00 0.00 C ATOM 18 CG GLU A 2 34.522 8.801 -3.550 1.00 0.00 C ATOM 19 CD GLU A 2 34.471 8.959 -2.048 1.00 0.00 C ATOM 20 OE1 GLU A 2 33.898 9.965 -1.563 1.00 0.00 O ATOM 21 OE2 GLU A 2 34.984 8.083 -1.317 1.00 0.00 O ATOM 0 H GLU A 2 33.755 9.274 -6.345 1.00 0.00 H new ATOM 0 HA GLU A 2 36.556 10.123 -6.053 1.00 0.00 H new ATOM 0 HB2 GLU A 2 36.618 9.177 -3.796 1.00 0.00 H new ATOM 0 HB3 GLU A 2 35.617 10.613 -3.882 1.00 0.00 H new ATOM 0 HG2 GLU A 2 33.582 9.147 -3.979 1.00 0.00 H new ATOM 0 HG3 GLU A 2 34.614 7.743 -3.796 1.00 0.00 H new ATOM 28 N VAL A 3 37.065 7.525 -5.983 1.00 0.00 N ATOM 29 CA VAL A 3 37.269 6.160 -6.384 1.00 0.00 C ATOM 30 C VAL A 3 36.432 5.259 -5.507 1.00 0.00 C ATOM 31 O VAL A 3 36.128 5.589 -4.345 1.00 0.00 O ATOM 32 CB VAL A 3 38.752 5.704 -6.341 1.00 0.00 C ATOM 33 CG1 VAL A 3 39.613 6.576 -7.222 1.00 0.00 C ATOM 34 CG2 VAL A 3 39.283 5.656 -4.920 1.00 0.00 C ATOM 0 H VAL A 3 37.864 7.974 -5.534 1.00 0.00 H new ATOM 0 HA VAL A 3 36.964 6.090 -7.428 1.00 0.00 H new ATOM 0 HB VAL A 3 38.794 4.688 -6.734 1.00 0.00 H new ATOM 0 HG11 VAL A 3 40.647 6.234 -7.173 1.00 0.00 H new ATOM 0 HG12 VAL A 3 39.259 6.515 -8.251 1.00 0.00 H new ATOM 0 HG13 VAL A 3 39.556 7.609 -6.879 1.00 0.00 H new ATOM 0 HG21 VAL A 3 40.324 5.333 -4.931 1.00 0.00 H new ATOM 0 HG22 VAL A 3 39.216 6.648 -4.473 1.00 0.00 H new ATOM 0 HG23 VAL A 3 38.691 4.953 -4.334 1.00 0.00 H new ATOM 44 N GLU A 4 36.047 4.173 -6.034 1.00 0.00 N ATOM 45 CA GLU A 4 35.234 3.269 -5.305 1.00 0.00 C ATOM 46 C GLU A 4 36.130 2.331 -4.547 1.00 0.00 C ATOM 47 O GLU A 4 36.987 1.663 -5.124 1.00 0.00 O ATOM 48 CB GLU A 4 34.254 2.558 -6.230 1.00 0.00 C ATOM 49 CG GLU A 4 33.395 3.558 -7.002 1.00 0.00 C ATOM 50 CD GLU A 4 32.308 2.928 -7.809 1.00 0.00 C ATOM 51 OE1 GLU A 4 32.568 2.459 -8.949 1.00 0.00 O ATOM 52 OE2 GLU A 4 31.169 2.906 -7.344 1.00 0.00 O ATOM 0 H GLU A 4 36.280 3.875 -6.981 1.00 0.00 H new ATOM 0 HA GLU A 4 34.616 3.801 -4.581 1.00 0.00 H new ATOM 0 HB2 GLU A 4 34.803 1.929 -6.931 1.00 0.00 H new ATOM 0 HB3 GLU A 4 33.612 1.899 -5.646 1.00 0.00 H new ATOM 0 HG2 GLU A 4 32.950 4.260 -6.297 1.00 0.00 H new ATOM 0 HG3 GLU A 4 34.037 4.137 -7.666 1.00 0.00 H new ATOM 59 N HIS A 5 35.977 2.328 -3.260 1.00 0.00 N ATOM 60 CA HIS A 5 36.843 1.561 -2.404 1.00 0.00 C ATOM 61 C HIS A 5 36.374 0.141 -2.180 1.00 0.00 C ATOM 62 O HIS A 5 35.260 -0.220 -2.524 1.00 0.00 O ATOM 63 CB HIS A 5 37.225 2.303 -1.091 1.00 0.00 C ATOM 64 CG HIS A 5 36.098 2.845 -0.219 1.00 0.00 C ATOM 65 ND1 HIS A 5 36.175 2.907 1.154 1.00 0.00 N ATOM 66 CD2 HIS A 5 34.915 3.442 -0.542 1.00 0.00 C ATOM 67 CE1 HIS A 5 35.087 3.515 1.613 1.00 0.00 C ATOM 68 NE2 HIS A 5 34.282 3.864 0.625 1.00 0.00 N ATOM 0 H HIS A 5 35.253 2.853 -2.769 1.00 0.00 H new ATOM 0 HA HIS A 5 37.775 1.462 -2.960 1.00 0.00 H new ATOM 0 HB2 HIS A 5 37.818 1.620 -0.483 1.00 0.00 H new ATOM 0 HB3 HIS A 5 37.873 3.139 -1.356 1.00 0.00 H new ATOM 0 HD1 HIS A 5 36.940 2.546 1.724 1.00 0.00 H new ATOM 0 HD2 HIS A 5 34.530 3.568 -1.543 1.00 0.00 H new ATOM 0 HE1 HIS A 5 34.886 3.700 2.658 1.00 0.00 H new ATOM 76 N TYR A 6 37.256 -0.650 -1.605 1.00 0.00 N ATOM 77 CA TYR A 6 37.055 -2.082 -1.414 1.00 0.00 C ATOM 78 C TYR A 6 36.228 -2.337 -0.172 1.00 0.00 C ATOM 79 O TYR A 6 35.769 -3.448 0.069 1.00 0.00 O ATOM 80 CB TYR A 6 38.417 -2.734 -1.221 1.00 0.00 C ATOM 81 CG TYR A 6 39.452 -2.330 -2.250 1.00 0.00 C ATOM 82 CD1 TYR A 6 39.533 -2.964 -3.477 1.00 0.00 C ATOM 83 CD2 TYR A 6 40.357 -1.301 -1.984 1.00 0.00 C ATOM 84 CE1 TYR A 6 40.481 -2.594 -4.408 1.00 0.00 C ATOM 85 CE2 TYR A 6 41.304 -0.926 -2.910 1.00 0.00 C ATOM 86 CZ TYR A 6 41.364 -1.574 -4.120 1.00 0.00 C ATOM 87 OH TYR A 6 42.322 -1.206 -5.048 1.00 0.00 O ATOM 0 H TYR A 6 38.151 -0.315 -1.249 1.00 0.00 H new ATOM 0 HA TYR A 6 36.538 -2.491 -2.282 1.00 0.00 H new ATOM 0 HB2 TYR A 6 38.790 -2.482 -0.229 1.00 0.00 H new ATOM 0 HB3 TYR A 6 38.296 -3.817 -1.250 1.00 0.00 H new ATOM 0 HD1 TYR A 6 38.843 -3.761 -3.710 1.00 0.00 H new ATOM 0 HD2 TYR A 6 40.313 -0.789 -1.034 1.00 0.00 H new ATOM 0 HE1 TYR A 6 40.532 -3.101 -5.360 1.00 0.00 H new ATOM 0 HE2 TYR A 6 41.996 -0.127 -2.687 1.00 0.00 H new ATOM 0 HH TYR A 6 42.861 -0.471 -4.688 1.00 0.00 H new ATOM 97 N GLU A 7 36.084 -1.301 0.609 1.00 0.00 N ATOM 98 CA GLU A 7 35.382 -1.337 1.867 1.00 0.00 C ATOM 99 C GLU A 7 33.880 -1.254 1.607 1.00 0.00 C ATOM 100 O GLU A 7 33.374 -0.208 1.176 1.00 0.00 O ATOM 101 CB GLU A 7 35.861 -0.167 2.712 1.00 0.00 C ATOM 102 CG GLU A 7 37.370 -0.160 2.886 1.00 0.00 C ATOM 103 CD GLU A 7 37.890 1.107 3.485 1.00 0.00 C ATOM 104 OE1 GLU A 7 38.135 2.065 2.732 1.00 0.00 O ATOM 105 OE2 GLU A 7 38.081 1.172 4.703 1.00 0.00 O ATOM 0 H GLU A 7 36.462 -0.381 0.383 1.00 0.00 H new ATOM 0 HA GLU A 7 35.581 -2.266 2.401 1.00 0.00 H new ATOM 0 HB2 GLU A 7 35.547 0.767 2.246 1.00 0.00 H new ATOM 0 HB3 GLU A 7 35.385 -0.210 3.692 1.00 0.00 H new ATOM 0 HG2 GLU A 7 37.660 -0.999 3.519 1.00 0.00 H new ATOM 0 HG3 GLU A 7 37.841 -0.315 1.916 1.00 0.00 H new ATOM 112 N PRO A 8 33.152 -2.348 1.854 1.00 0.00 N ATOM 113 CA PRO A 8 31.742 -2.424 1.551 1.00 0.00 C ATOM 114 C PRO A 8 30.874 -1.660 2.522 1.00 0.00 C ATOM 115 O PRO A 8 31.237 -1.439 3.685 1.00 0.00 O ATOM 116 CB PRO A 8 31.419 -3.901 1.625 1.00 0.00 C ATOM 117 CG PRO A 8 32.455 -4.496 2.514 1.00 0.00 C ATOM 118 CD PRO A 8 33.658 -3.591 2.462 1.00 0.00 C ATOM 0 HA PRO A 8 31.539 -1.974 0.579 1.00 0.00 H new ATOM 0 HB2 PRO A 8 30.419 -4.063 2.026 1.00 0.00 H new ATOM 0 HB3 PRO A 8 31.443 -4.357 0.635 1.00 0.00 H new ATOM 0 HG2 PRO A 8 32.083 -4.583 3.535 1.00 0.00 H new ATOM 0 HG3 PRO A 8 32.715 -5.501 2.183 1.00 0.00 H new ATOM 0 HD2 PRO A 8 34.063 -3.411 3.458 1.00 0.00 H new ATOM 0 HD3 PRO A 8 34.459 -4.028 1.866 1.00 0.00 H new ATOM 126 N LEU A 9 29.724 -1.314 2.057 1.00 0.00 N ATOM 127 CA LEU A 9 28.788 -0.527 2.802 1.00 0.00 C ATOM 128 C LEU A 9 27.719 -1.449 3.278 1.00 0.00 C ATOM 129 O LEU A 9 27.089 -2.108 2.469 1.00 0.00 O ATOM 130 CB LEU A 9 28.137 0.528 1.884 1.00 0.00 C ATOM 131 CG LEU A 9 27.733 1.885 2.526 1.00 0.00 C ATOM 132 CD1 LEU A 9 26.692 1.727 3.629 1.00 0.00 C ATOM 133 CD2 LEU A 9 28.954 2.597 3.064 1.00 0.00 C ATOM 0 H LEU A 9 29.395 -1.574 1.127 1.00 0.00 H new ATOM 0 HA LEU A 9 29.292 -0.024 3.627 1.00 0.00 H new ATOM 0 HB2 LEU A 9 28.828 0.735 1.066 1.00 0.00 H new ATOM 0 HB3 LEU A 9 27.244 0.085 1.443 1.00 0.00 H new ATOM 0 HG LEU A 9 27.278 2.484 1.737 1.00 0.00 H new ATOM 0 HD11 LEU A 9 26.447 2.706 4.041 1.00 0.00 H new ATOM 0 HD12 LEU A 9 25.792 1.272 3.217 1.00 0.00 H new ATOM 0 HD13 LEU A 9 27.092 1.090 4.418 1.00 0.00 H new ATOM 0 HD21 LEU A 9 28.655 3.545 3.510 1.00 0.00 H new ATOM 0 HD22 LEU A 9 29.434 1.976 3.820 1.00 0.00 H new ATOM 0 HD23 LEU A 9 29.654 2.784 2.250 1.00 0.00 H new ATOM 145 N GLN A 10 27.540 -1.536 4.554 1.00 0.00 N ATOM 146 CA GLN A 10 26.458 -2.299 5.087 1.00 0.00 C ATOM 147 C GLN A 10 25.217 -1.466 5.053 1.00 0.00 C ATOM 148 O GLN A 10 25.016 -0.589 5.896 1.00 0.00 O ATOM 149 CB GLN A 10 26.716 -2.772 6.495 1.00 0.00 C ATOM 150 CG GLN A 10 27.657 -3.935 6.609 1.00 0.00 C ATOM 151 CD GLN A 10 27.744 -4.441 8.034 1.00 0.00 C ATOM 152 OE1 GLN A 10 27.610 -3.669 8.994 1.00 0.00 O ATOM 153 NE2 GLN A 10 27.904 -5.727 8.196 1.00 0.00 N ATOM 0 H GLN A 10 28.132 -1.086 5.252 1.00 0.00 H new ATOM 0 HA GLN A 10 26.344 -3.191 4.471 1.00 0.00 H new ATOM 0 HB2 GLN A 10 27.118 -1.940 7.074 1.00 0.00 H new ATOM 0 HB3 GLN A 10 25.765 -3.047 6.950 1.00 0.00 H new ATOM 0 HG2 GLN A 10 27.322 -4.741 5.956 1.00 0.00 H new ATOM 0 HG3 GLN A 10 28.648 -3.637 6.266 1.00 0.00 H new ATOM 0 HE21 GLN A 10 28.011 -6.334 7.383 1.00 0.00 H new ATOM 0 HE22 GLN A 10 27.922 -6.124 9.135 1.00 0.00 H new ATOM 162 N VAL A 11 24.427 -1.693 4.076 1.00 0.00 N ATOM 163 CA VAL A 11 23.228 -0.938 3.902 1.00 0.00 C ATOM 164 C VAL A 11 22.078 -1.693 4.509 1.00 0.00 C ATOM 165 O VAL A 11 21.803 -2.819 4.112 1.00 0.00 O ATOM 166 CB VAL A 11 22.889 -0.726 2.415 1.00 0.00 C ATOM 167 CG1 VAL A 11 21.824 0.333 2.259 1.00 0.00 C ATOM 168 CG2 VAL A 11 24.112 -0.415 1.578 1.00 0.00 C ATOM 0 H VAL A 11 24.585 -2.408 3.366 1.00 0.00 H new ATOM 0 HA VAL A 11 23.385 0.030 4.379 1.00 0.00 H new ATOM 0 HB VAL A 11 22.494 -1.668 2.036 1.00 0.00 H new ATOM 0 HG11 VAL A 11 21.598 0.469 1.201 1.00 0.00 H new ATOM 0 HG12 VAL A 11 20.922 0.022 2.786 1.00 0.00 H new ATOM 0 HG13 VAL A 11 22.182 1.274 2.677 1.00 0.00 H new ATOM 0 HG21 VAL A 11 23.815 -0.275 0.539 1.00 0.00 H new ATOM 0 HG22 VAL A 11 24.583 0.496 1.947 1.00 0.00 H new ATOM 0 HG23 VAL A 11 24.819 -1.242 1.645 1.00 0.00 H new ATOM 178 N HIS A 12 21.426 -1.105 5.455 1.00 0.00 N ATOM 179 CA HIS A 12 20.241 -1.697 5.986 1.00 0.00 C ATOM 180 C HIS A 12 19.084 -1.028 5.288 1.00 0.00 C ATOM 181 O HIS A 12 18.892 0.174 5.396 1.00 0.00 O ATOM 182 CB HIS A 12 20.138 -1.529 7.513 1.00 0.00 C ATOM 183 CG HIS A 12 18.972 -2.277 8.113 1.00 0.00 C ATOM 184 ND1 HIS A 12 17.831 -1.680 8.601 1.00 0.00 N ATOM 185 CD2 HIS A 12 18.789 -3.610 8.277 1.00 0.00 C ATOM 186 CE1 HIS A 12 17.012 -2.645 9.026 1.00 0.00 C ATOM 187 NE2 HIS A 12 17.545 -3.836 8.852 1.00 0.00 N ATOM 0 H HIS A 12 21.692 -0.215 5.877 1.00 0.00 H new ATOM 0 HA HIS A 12 20.245 -2.773 5.812 1.00 0.00 H new ATOM 0 HB2 HIS A 12 21.062 -1.878 7.974 1.00 0.00 H new ATOM 0 HB3 HIS A 12 20.043 -0.469 7.751 1.00 0.00 H new ATOM 0 HD2 HIS A 12 19.499 -4.376 8.003 1.00 0.00 H new ATOM 0 HE1 HIS A 12 16.037 -2.471 9.457 1.00 0.00 H new ATOM 0 HE2 HIS A 12 17.131 -4.737 9.090 1.00 0.00 H new ATOM 195 N VAL A 13 18.386 -1.779 4.525 1.00 0.00 N ATOM 196 CA VAL A 13 17.322 -1.285 3.739 1.00 0.00 C ATOM 197 C VAL A 13 15.999 -1.665 4.317 1.00 0.00 C ATOM 198 O VAL A 13 15.803 -2.789 4.815 1.00 0.00 O ATOM 199 CB VAL A 13 17.411 -1.779 2.269 1.00 0.00 C ATOM 200 CG1 VAL A 13 18.674 -1.300 1.640 1.00 0.00 C ATOM 201 CG2 VAL A 13 17.351 -3.285 2.169 1.00 0.00 C ATOM 0 H VAL A 13 18.543 -2.782 4.427 1.00 0.00 H new ATOM 0 HA VAL A 13 17.411 -0.199 3.742 1.00 0.00 H new ATOM 0 HB VAL A 13 16.549 -1.368 1.743 1.00 0.00 H new ATOM 0 HG11 VAL A 13 18.724 -1.653 0.610 1.00 0.00 H new ATOM 0 HG12 VAL A 13 18.696 -0.210 1.652 1.00 0.00 H new ATOM 0 HG13 VAL A 13 19.527 -1.686 2.198 1.00 0.00 H new ATOM 0 HG21 VAL A 13 17.417 -3.583 1.123 1.00 0.00 H new ATOM 0 HG22 VAL A 13 18.183 -3.720 2.723 1.00 0.00 H new ATOM 0 HG23 VAL A 13 16.410 -3.640 2.589 1.00 0.00 H new ATOM 211 N GLN A 14 15.121 -0.730 4.300 1.00 0.00 N ATOM 212 CA GLN A 14 13.770 -0.967 4.648 1.00 0.00 C ATOM 213 C GLN A 14 13.003 -0.925 3.369 1.00 0.00 C ATOM 214 O GLN A 14 12.867 0.124 2.752 1.00 0.00 O ATOM 215 CB GLN A 14 13.255 0.058 5.658 1.00 0.00 C ATOM 216 CG GLN A 14 11.781 -0.094 6.010 1.00 0.00 C ATOM 217 CD GLN A 14 11.342 0.849 7.111 1.00 0.00 C ATOM 218 OE1 GLN A 14 12.125 1.202 8.003 1.00 0.00 O ATOM 219 NE2 GLN A 14 10.106 1.276 7.062 1.00 0.00 N ATOM 0 H GLN A 14 15.324 0.235 4.040 1.00 0.00 H new ATOM 0 HA GLN A 14 13.654 -1.932 5.141 1.00 0.00 H new ATOM 0 HB2 GLN A 14 13.845 -0.022 6.571 1.00 0.00 H new ATOM 0 HB3 GLN A 14 13.420 1.059 5.258 1.00 0.00 H new ATOM 0 HG2 GLN A 14 11.179 0.088 5.120 1.00 0.00 H new ATOM 0 HG3 GLN A 14 11.590 -1.121 6.320 1.00 0.00 H new ATOM 0 HE21 GLN A 14 9.488 0.964 6.313 1.00 0.00 H new ATOM 0 HE22 GLN A 14 9.760 1.920 7.773 1.00 0.00 H new ATOM 228 N LEU A 15 12.615 -2.070 2.932 1.00 0.00 N ATOM 229 CA LEU A 15 11.927 -2.241 1.714 1.00 0.00 C ATOM 230 C LEU A 15 10.438 -2.324 1.986 1.00 0.00 C ATOM 231 O LEU A 15 9.956 -3.302 2.566 1.00 0.00 O ATOM 232 CB LEU A 15 12.437 -3.525 1.040 1.00 0.00 C ATOM 233 CG LEU A 15 13.948 -3.576 0.739 1.00 0.00 C ATOM 234 CD1 LEU A 15 14.349 -4.907 0.126 1.00 0.00 C ATOM 235 CD2 LEU A 15 14.383 -2.419 -0.154 1.00 0.00 C ATOM 0 H LEU A 15 12.777 -2.942 3.436 1.00 0.00 H new ATOM 0 HA LEU A 15 12.105 -1.396 1.049 1.00 0.00 H new ATOM 0 HB2 LEU A 15 12.185 -4.372 1.679 1.00 0.00 H new ATOM 0 HB3 LEU A 15 11.895 -3.660 0.104 1.00 0.00 H new ATOM 0 HG LEU A 15 14.466 -3.475 1.693 1.00 0.00 H new ATOM 0 HD11 LEU A 15 15.421 -4.908 -0.073 1.00 0.00 H new ATOM 0 HD12 LEU A 15 14.108 -5.714 0.818 1.00 0.00 H new ATOM 0 HD13 LEU A 15 13.806 -5.056 -0.808 1.00 0.00 H new ATOM 0 HD21 LEU A 15 15.454 -2.489 -0.344 1.00 0.00 H new ATOM 0 HD22 LEU A 15 13.843 -2.466 -1.100 1.00 0.00 H new ATOM 0 HD23 LEU A 15 14.164 -1.474 0.342 1.00 0.00 H new ATOM 247 N GLU A 16 9.731 -1.285 1.634 1.00 0.00 N ATOM 248 CA GLU A 16 8.294 -1.254 1.782 1.00 0.00 C ATOM 249 C GLU A 16 7.701 -1.720 0.497 1.00 0.00 C ATOM 250 O GLU A 16 8.253 -1.467 -0.563 1.00 0.00 O ATOM 251 CB GLU A 16 7.769 0.154 2.038 1.00 0.00 C ATOM 252 CG GLU A 16 8.205 0.830 3.316 1.00 0.00 C ATOM 253 CD GLU A 16 7.604 2.218 3.408 1.00 0.00 C ATOM 254 OE1 GLU A 16 8.190 3.168 2.865 1.00 0.00 O ATOM 255 OE2 GLU A 16 6.506 2.374 3.999 1.00 0.00 O ATOM 0 H GLU A 16 10.130 -0.435 1.236 1.00 0.00 H new ATOM 0 HA GLU A 16 8.025 -1.882 2.631 1.00 0.00 H new ATOM 0 HB2 GLU A 16 8.071 0.785 1.202 1.00 0.00 H new ATOM 0 HB3 GLU A 16 6.680 0.115 2.031 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.895 0.234 4.175 1.00 0.00 H new ATOM 0 HG3 GLU A 16 9.293 0.894 3.349 1.00 0.00 H new ATOM 262 N LYS A 17 6.612 -2.395 0.562 1.00 0.00 N ATOM 263 CA LYS A 17 5.949 -2.849 -0.629 1.00 0.00 C ATOM 264 C LYS A 17 4.497 -2.477 -0.507 1.00 0.00 C ATOM 265 O LYS A 17 3.755 -3.131 0.210 1.00 0.00 O ATOM 266 CB LYS A 17 6.152 -4.370 -0.804 1.00 0.00 C ATOM 267 CG LYS A 17 7.635 -4.767 -0.877 1.00 0.00 C ATOM 268 CD LYS A 17 7.867 -6.272 -0.870 1.00 0.00 C ATOM 269 CE LYS A 17 9.367 -6.570 -0.863 1.00 0.00 C ATOM 270 NZ LYS A 17 9.681 -8.012 -0.769 1.00 0.00 N ATOM 0 H LYS A 17 6.148 -2.653 1.433 1.00 0.00 H new ATOM 0 HA LYS A 17 6.365 -2.378 -1.519 1.00 0.00 H new ATOM 0 HB2 LYS A 17 5.681 -4.893 0.028 1.00 0.00 H new ATOM 0 HB3 LYS A 17 5.648 -4.697 -1.713 1.00 0.00 H new ATOM 0 HG2 LYS A 17 8.071 -4.345 -1.783 1.00 0.00 H new ATOM 0 HG3 LYS A 17 8.163 -4.323 -0.033 1.00 0.00 H new ATOM 0 HD2 LYS A 17 7.395 -6.717 0.006 1.00 0.00 H new ATOM 0 HD3 LYS A 17 7.402 -6.724 -1.746 1.00 0.00 H new ATOM 0 HE2 LYS A 17 9.814 -6.167 -1.772 1.00 0.00 H new ATOM 0 HE3 LYS A 17 9.829 -6.050 -0.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 10.678 -8.133 -0.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 9.071 -8.454 -0.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 9.515 -8.464 -1.691 1.00 0.00 H new ATOM 284 N VAL A 18 4.095 -1.385 -1.147 1.00 0.00 N ATOM 285 CA VAL A 18 2.751 -0.876 -0.948 1.00 0.00 C ATOM 286 C VAL A 18 1.813 -1.432 -1.999 1.00 0.00 C ATOM 287 O VAL A 18 1.787 -0.974 -3.140 1.00 0.00 O ATOM 288 CB VAL A 18 2.705 0.684 -0.945 1.00 0.00 C ATOM 289 CG1 VAL A 18 1.324 1.217 -0.623 1.00 0.00 C ATOM 290 CG2 VAL A 18 3.741 1.270 -0.003 1.00 0.00 C ATOM 0 H VAL A 18 4.670 -0.847 -1.795 1.00 0.00 H new ATOM 0 HA VAL A 18 2.422 -1.210 0.036 1.00 0.00 H new ATOM 0 HB VAL A 18 2.948 1.003 -1.958 1.00 0.00 H new ATOM 0 HG11 VAL A 18 1.343 2.307 -0.633 1.00 0.00 H new ATOM 0 HG12 VAL A 18 0.613 0.860 -1.368 1.00 0.00 H new ATOM 0 HG13 VAL A 18 1.021 0.868 0.364 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.680 2.358 -0.027 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.551 0.918 1.011 1.00 0.00 H new ATOM 0 HG23 VAL A 18 4.737 0.955 -0.316 1.00 0.00 H new ATOM 300 N TYR A 19 1.099 -2.444 -1.625 1.00 0.00 N ATOM 301 CA TYR A 19 0.137 -3.064 -2.498 1.00 0.00 C ATOM 302 C TYR A 19 -1.142 -2.260 -2.481 1.00 0.00 C ATOM 303 O TYR A 19 -1.351 -1.449 -1.570 1.00 0.00 O ATOM 304 CB TYR A 19 -0.131 -4.495 -2.041 1.00 0.00 C ATOM 305 CG TYR A 19 1.071 -5.398 -2.146 1.00 0.00 C ATOM 306 CD1 TYR A 19 2.022 -5.454 -1.134 1.00 0.00 C ATOM 307 CD2 TYR A 19 1.255 -6.196 -3.263 1.00 0.00 C ATOM 308 CE1 TYR A 19 3.118 -6.283 -1.237 1.00 0.00 C ATOM 309 CE2 TYR A 19 2.344 -7.028 -3.372 1.00 0.00 C ATOM 310 CZ TYR A 19 3.271 -7.071 -2.356 1.00 0.00 C ATOM 311 OH TYR A 19 4.360 -7.902 -2.461 1.00 0.00 O ATOM 0 H TYR A 19 1.162 -2.871 -0.701 1.00 0.00 H new ATOM 0 HA TYR A 19 0.529 -3.092 -3.515 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -0.473 -4.479 -1.006 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -0.942 -4.912 -2.638 1.00 0.00 H new ATOM 0 HD1 TYR A 19 1.900 -4.839 -0.254 1.00 0.00 H new ATOM 0 HD2 TYR A 19 0.530 -6.164 -4.063 1.00 0.00 H new ATOM 0 HE1 TYR A 19 3.852 -6.315 -0.445 1.00 0.00 H new ATOM 0 HE2 TYR A 19 2.471 -7.644 -4.250 1.00 0.00 H new ATOM 0 HH TYR A 19 4.318 -8.390 -3.310 1.00 0.00 H new ATOM 321 N LEU A 20 -2.004 -2.480 -3.463 1.00 0.00 N ATOM 322 CA LEU A 20 -3.289 -1.762 -3.538 1.00 0.00 C ATOM 323 C LEU A 20 -4.166 -2.159 -2.391 1.00 0.00 C ATOM 324 O LEU A 20 -4.992 -1.397 -1.943 1.00 0.00 O ATOM 325 CB LEU A 20 -4.036 -2.021 -4.852 1.00 0.00 C ATOM 326 CG LEU A 20 -3.466 -1.418 -6.127 1.00 0.00 C ATOM 327 CD1 LEU A 20 -2.184 -2.093 -6.549 1.00 0.00 C ATOM 328 CD2 LEU A 20 -4.494 -1.458 -7.233 1.00 0.00 C ATOM 0 H LEU A 20 -1.847 -3.145 -4.221 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.057 -0.698 -3.492 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.101 -3.100 -4.993 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -5.055 -1.653 -4.735 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.220 -0.377 -5.919 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.813 -1.630 -7.464 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.439 -1.986 -5.760 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.372 -3.152 -6.729 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -4.071 -1.023 -8.139 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -4.780 -2.492 -7.426 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -5.373 -0.888 -6.933 1.00 0.00 H new ATOM 340 N ASP A 21 -3.948 -3.374 -1.939 1.00 0.00 N ATOM 341 CA ASP A 21 -4.633 -3.970 -0.780 1.00 0.00 C ATOM 342 C ASP A 21 -4.559 -3.054 0.420 1.00 0.00 C ATOM 343 O ASP A 21 -5.532 -2.866 1.129 1.00 0.00 O ATOM 344 CB ASP A 21 -3.974 -5.300 -0.427 1.00 0.00 C ATOM 345 CG ASP A 21 -4.505 -5.918 0.852 1.00 0.00 C ATOM 346 OD1 ASP A 21 -5.497 -6.683 0.791 1.00 0.00 O ATOM 347 OD2 ASP A 21 -3.925 -5.657 1.930 1.00 0.00 O ATOM 0 H ASP A 21 -3.272 -4.005 -2.370 1.00 0.00 H new ATOM 0 HA ASP A 21 -5.679 -4.124 -1.043 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -4.124 -6.000 -1.249 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -2.899 -5.149 -0.329 1.00 0.00 H new ATOM 352 N GLY A 22 -3.405 -2.471 0.619 1.00 0.00 N ATOM 353 CA GLY A 22 -3.212 -1.593 1.717 1.00 0.00 C ATOM 354 C GLY A 22 -2.177 -2.113 2.654 1.00 0.00 C ATOM 355 O GLY A 22 -1.545 -1.342 3.374 1.00 0.00 O ATOM 0 H GLY A 22 -2.586 -2.597 0.024 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -2.913 -0.611 1.351 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -4.154 -1.462 2.250 1.00 0.00 H new ATOM 359 N ASP A 23 -2.014 -3.419 2.683 1.00 0.00 N ATOM 360 CA ASP A 23 -0.988 -4.021 3.509 1.00 0.00 C ATOM 361 C ASP A 23 0.368 -3.861 2.869 1.00 0.00 C ATOM 362 O ASP A 23 0.630 -4.382 1.766 1.00 0.00 O ATOM 363 CB ASP A 23 -1.266 -5.490 3.796 1.00 0.00 C ATOM 364 CG ASP A 23 -0.179 -6.123 4.632 1.00 0.00 C ATOM 365 OD1 ASP A 23 -0.063 -5.783 5.821 1.00 0.00 O ATOM 366 OD2 ASP A 23 0.588 -6.966 4.108 1.00 0.00 O ATOM 0 H ASP A 23 -2.575 -4.081 2.147 1.00 0.00 H new ATOM 0 HA ASP A 23 -0.998 -3.496 4.464 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -2.221 -5.583 4.313 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -1.360 -6.031 2.854 1.00 0.00 H new ATOM 371 N VAL A 24 1.202 -3.105 3.516 1.00 0.00 N ATOM 372 CA VAL A 24 2.529 -2.868 3.051 1.00 0.00 C ATOM 373 C VAL A 24 3.449 -3.867 3.693 1.00 0.00 C ATOM 374 O VAL A 24 3.522 -3.958 4.925 1.00 0.00 O ATOM 375 CB VAL A 24 3.001 -1.429 3.393 1.00 0.00 C ATOM 376 CG1 VAL A 24 4.362 -1.135 2.794 1.00 0.00 C ATOM 377 CG2 VAL A 24 1.976 -0.400 2.949 1.00 0.00 C ATOM 0 H VAL A 24 0.975 -2.632 4.391 1.00 0.00 H new ATOM 0 HA VAL A 24 2.545 -2.975 1.966 1.00 0.00 H new ATOM 0 HB VAL A 24 3.098 -1.363 4.477 1.00 0.00 H new ATOM 0 HG11 VAL A 24 4.662 -0.120 3.053 1.00 0.00 H new ATOM 0 HG12 VAL A 24 5.093 -1.841 3.188 1.00 0.00 H new ATOM 0 HG13 VAL A 24 4.311 -1.233 1.710 1.00 0.00 H new ATOM 0 HG21 VAL A 24 2.331 0.599 3.200 1.00 0.00 H new ATOM 0 HG22 VAL A 24 1.831 -0.473 1.871 1.00 0.00 H new ATOM 0 HG23 VAL A 24 1.030 -0.587 3.456 1.00 0.00 H new ATOM 387 N SER A 25 4.100 -4.638 2.885 1.00 0.00 N ATOM 388 CA SER A 25 5.036 -5.596 3.367 1.00 0.00 C ATOM 389 C SER A 25 6.321 -4.884 3.716 1.00 0.00 C ATOM 390 O SER A 25 6.874 -4.150 2.890 1.00 0.00 O ATOM 391 CB SER A 25 5.267 -6.654 2.309 1.00 0.00 C ATOM 392 OG SER A 25 4.033 -7.214 1.888 1.00 0.00 O ATOM 0 H SER A 25 3.997 -4.620 1.870 1.00 0.00 H new ATOM 0 HA SER A 25 4.653 -6.090 4.260 1.00 0.00 H new ATOM 0 HB2 SER A 25 5.784 -6.216 1.455 1.00 0.00 H new ATOM 0 HB3 SER A 25 5.912 -7.438 2.705 1.00 0.00 H new ATOM 0 HG SER A 25 4.199 -7.895 1.203 1.00 0.00 H new ATOM 398 N ILE A 26 6.753 -5.050 4.936 1.00 0.00 N ATOM 399 CA ILE A 26 7.937 -4.406 5.409 1.00 0.00 C ATOM 400 C ILE A 26 9.059 -5.410 5.462 1.00 0.00 C ATOM 401 O ILE A 26 9.039 -6.350 6.255 1.00 0.00 O ATOM 402 CB ILE A 26 7.711 -3.759 6.800 1.00 0.00 C ATOM 403 CG1 ILE A 26 6.572 -2.731 6.738 1.00 0.00 C ATOM 404 CG2 ILE A 26 8.984 -3.107 7.320 1.00 0.00 C ATOM 405 CD1 ILE A 26 6.780 -1.631 5.721 1.00 0.00 C ATOM 0 H ILE A 26 6.289 -5.638 5.628 1.00 0.00 H new ATOM 0 HA ILE A 26 8.201 -3.604 4.720 1.00 0.00 H new ATOM 0 HB ILE A 26 7.431 -4.552 7.494 1.00 0.00 H new ATOM 0 HG12 ILE A 26 5.642 -3.251 6.509 1.00 0.00 H new ATOM 0 HG13 ILE A 26 6.451 -2.281 7.723 1.00 0.00 H new ATOM 0 HG21 ILE A 26 8.792 -2.663 8.297 1.00 0.00 H new ATOM 0 HG22 ILE A 26 9.767 -3.860 7.411 1.00 0.00 H new ATOM 0 HG23 ILE A 26 9.305 -2.331 6.625 1.00 0.00 H new ATOM 0 HD11 ILE A 26 5.930 -0.949 5.743 1.00 0.00 H new ATOM 0 HD12 ILE A 26 7.691 -1.082 5.960 1.00 0.00 H new ATOM 0 HD13 ILE A 26 6.869 -2.067 4.726 1.00 0.00 H new ATOM 417 N GLU A 27 10.002 -5.226 4.608 1.00 0.00 N ATOM 418 CA GLU A 27 11.120 -6.100 4.500 1.00 0.00 C ATOM 419 C GLU A 27 12.394 -5.389 4.911 1.00 0.00 C ATOM 420 O GLU A 27 12.672 -4.313 4.463 1.00 0.00 O ATOM 421 CB GLU A 27 11.176 -6.659 3.072 1.00 0.00 C ATOM 422 CG GLU A 27 12.498 -7.253 2.655 1.00 0.00 C ATOM 423 CD GLU A 27 12.357 -8.225 1.504 1.00 0.00 C ATOM 424 OE1 GLU A 27 12.179 -7.795 0.343 1.00 0.00 O ATOM 425 OE2 GLU A 27 12.425 -9.447 1.740 1.00 0.00 O ATOM 0 H GLU A 27 10.020 -4.447 3.950 1.00 0.00 H new ATOM 0 HA GLU A 27 11.013 -6.942 5.184 1.00 0.00 H new ATOM 0 HB2 GLU A 27 10.406 -7.424 2.970 1.00 0.00 H new ATOM 0 HB3 GLU A 27 10.923 -5.858 2.377 1.00 0.00 H new ATOM 0 HG2 GLU A 27 13.179 -6.452 2.369 1.00 0.00 H new ATOM 0 HG3 GLU A 27 12.948 -7.765 3.506 1.00 0.00 H new ATOM 432 N HIS A 28 13.125 -5.982 5.799 1.00 0.00 N ATOM 433 CA HIS A 28 14.361 -5.397 6.285 1.00 0.00 C ATOM 434 C HIS A 28 15.523 -6.257 5.860 1.00 0.00 C ATOM 435 O HIS A 28 15.550 -7.461 6.155 1.00 0.00 O ATOM 436 CB HIS A 28 14.361 -5.244 7.824 1.00 0.00 C ATOM 437 CG HIS A 28 13.349 -4.276 8.377 1.00 0.00 C ATOM 438 ND1 HIS A 28 12.727 -4.415 9.605 1.00 0.00 N ATOM 439 CD2 HIS A 28 12.903 -3.111 7.868 1.00 0.00 C ATOM 440 CE1 HIS A 28 11.944 -3.352 9.796 1.00 0.00 C ATOM 441 NE2 HIS A 28 12.013 -2.518 8.768 1.00 0.00 N ATOM 0 H HIS A 28 12.894 -6.884 6.215 1.00 0.00 H new ATOM 0 HA HIS A 28 14.453 -4.400 5.854 1.00 0.00 H new ATOM 0 HB2 HIS A 28 14.183 -6.223 8.269 1.00 0.00 H new ATOM 0 HB3 HIS A 28 15.354 -4.925 8.140 1.00 0.00 H new ATOM 0 HD2 HIS A 28 13.189 -2.699 6.912 1.00 0.00 H new ATOM 0 HE1 HIS A 28 11.334 -3.192 10.673 1.00 0.00 H new ATOM 0 HE2 HIS A 28 11.521 -1.631 8.657 1.00 0.00 H new ATOM 449 N LYS A 29 16.461 -5.672 5.165 1.00 0.00 N ATOM 450 CA LYS A 29 17.625 -6.387 4.704 1.00 0.00 C ATOM 451 C LYS A 29 18.866 -5.617 4.997 1.00 0.00 C ATOM 452 O LYS A 29 18.832 -4.415 5.083 1.00 0.00 O ATOM 453 CB LYS A 29 17.636 -6.574 3.206 1.00 0.00 C ATOM 454 CG LYS A 29 16.562 -7.413 2.596 1.00 0.00 C ATOM 455 CD LYS A 29 17.108 -7.998 1.318 1.00 0.00 C ATOM 456 CE LYS A 29 17.403 -6.932 0.264 1.00 0.00 C ATOM 457 NZ LYS A 29 18.020 -7.496 -0.953 1.00 0.00 N ATOM 0 H LYS A 29 16.442 -4.687 4.901 1.00 0.00 H new ATOM 0 HA LYS A 29 17.589 -7.347 5.218 1.00 0.00 H new ATOM 0 HB2 LYS A 29 17.590 -5.587 2.746 1.00 0.00 H new ATOM 0 HB3 LYS A 29 18.597 -7.010 2.931 1.00 0.00 H new ATOM 0 HG2 LYS A 29 16.260 -8.205 3.281 1.00 0.00 H new ATOM 0 HG3 LYS A 29 15.676 -6.812 2.393 1.00 0.00 H new ATOM 0 HD2 LYS A 29 18.022 -8.550 1.537 1.00 0.00 H new ATOM 0 HD3 LYS A 29 16.392 -8.714 0.915 1.00 0.00 H new ATOM 0 HE2 LYS A 29 16.476 -6.424 -0.004 1.00 0.00 H new ATOM 0 HE3 LYS A 29 18.067 -6.179 0.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 18.123 -6.748 -1.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 18.957 -7.883 -0.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 17.416 -8.255 -1.329 1.00 0.00 H new ATOM 471 N HIS A 30 19.944 -6.302 5.130 1.00 0.00 N ATOM 472 CA HIS A 30 21.228 -5.659 5.215 1.00 0.00 C ATOM 473 C HIS A 30 22.122 -6.198 4.107 1.00 0.00 C ATOM 474 O HIS A 30 22.326 -7.427 4.006 1.00 0.00 O ATOM 475 CB HIS A 30 21.885 -5.746 6.632 1.00 0.00 C ATOM 476 CG HIS A 30 22.279 -7.113 7.139 1.00 0.00 C ATOM 477 ND1 HIS A 30 21.550 -7.839 8.046 1.00 0.00 N ATOM 478 CD2 HIS A 30 23.380 -7.856 6.876 1.00 0.00 C ATOM 479 CE1 HIS A 30 22.209 -8.968 8.301 1.00 0.00 C ATOM 480 NE2 HIS A 30 23.330 -9.029 7.612 1.00 0.00 N ATOM 0 H HIS A 30 19.974 -7.320 5.184 1.00 0.00 H new ATOM 0 HA HIS A 30 21.085 -4.589 5.066 1.00 0.00 H new ATOM 0 HB2 HIS A 30 22.777 -5.120 6.627 1.00 0.00 H new ATOM 0 HB3 HIS A 30 21.192 -5.308 7.351 1.00 0.00 H new ATOM 0 HD2 HIS A 30 24.173 -7.578 6.198 1.00 0.00 H new ATOM 0 HE1 HIS A 30 21.869 -9.733 8.983 1.00 0.00 H new ATOM 0 HE2 HIS A 30 24.018 -9.782 7.619 1.00 0.00 H new ATOM 488 N GLU A 31 22.594 -5.341 3.236 1.00 0.00 N ATOM 489 CA GLU A 31 23.456 -5.796 2.189 1.00 0.00 C ATOM 490 C GLU A 31 24.688 -4.937 2.066 1.00 0.00 C ATOM 491 O GLU A 31 24.625 -3.720 2.185 1.00 0.00 O ATOM 492 CB GLU A 31 22.711 -5.889 0.861 1.00 0.00 C ATOM 493 CG GLU A 31 22.207 -4.584 0.295 1.00 0.00 C ATOM 494 CD GLU A 31 21.449 -4.820 -0.976 1.00 0.00 C ATOM 495 OE1 GLU A 31 20.241 -5.107 -0.909 1.00 0.00 O ATOM 496 OE2 GLU A 31 22.062 -4.795 -2.076 1.00 0.00 O ATOM 0 H GLU A 31 22.396 -4.340 3.235 1.00 0.00 H new ATOM 0 HA GLU A 31 23.788 -6.799 2.456 1.00 0.00 H new ATOM 0 HB2 GLU A 31 23.372 -6.350 0.127 1.00 0.00 H new ATOM 0 HB3 GLU A 31 21.861 -6.559 0.990 1.00 0.00 H new ATOM 0 HG2 GLU A 31 21.563 -4.090 1.023 1.00 0.00 H new ATOM 0 HG3 GLU A 31 23.046 -3.915 0.106 1.00 0.00 H new ATOM 503 N LYS A 32 25.811 -5.582 1.933 1.00 0.00 N ATOM 504 CA LYS A 32 27.043 -4.917 1.663 1.00 0.00 C ATOM 505 C LYS A 32 27.181 -4.595 0.219 1.00 0.00 C ATOM 506 O LYS A 32 27.090 -5.486 -0.639 1.00 0.00 O ATOM 507 CB LYS A 32 28.199 -5.751 2.081 1.00 0.00 C ATOM 508 CG LYS A 32 28.412 -5.751 3.538 1.00 0.00 C ATOM 509 CD LYS A 32 29.574 -6.626 3.893 1.00 0.00 C ATOM 510 CE LYS A 32 29.915 -6.433 5.315 1.00 0.00 C ATOM 511 NZ LYS A 32 30.893 -7.424 5.801 1.00 0.00 N ATOM 0 H LYS A 32 25.893 -6.596 2.011 1.00 0.00 H new ATOM 0 HA LYS A 32 27.035 -3.990 2.236 1.00 0.00 H new ATOM 0 HB2 LYS A 32 28.042 -6.775 1.742 1.00 0.00 H new ATOM 0 HB3 LYS A 32 29.100 -5.387 1.588 1.00 0.00 H new ATOM 0 HG2 LYS A 32 28.594 -4.734 3.886 1.00 0.00 H new ATOM 0 HG3 LYS A 32 27.514 -6.105 4.044 1.00 0.00 H new ATOM 0 HD2 LYS A 32 29.327 -7.671 3.705 1.00 0.00 H new ATOM 0 HD3 LYS A 32 30.432 -6.383 3.266 1.00 0.00 H new ATOM 0 HE2 LYS A 32 30.318 -5.430 5.456 1.00 0.00 H new ATOM 0 HE3 LYS A 32 29.007 -6.499 5.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 31.099 -7.245 6.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 30.500 -8.381 5.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 31.770 -7.346 5.248 1.00 0.00 H new ATOM 525 N VAL A 33 27.392 -3.344 -0.068 1.00 0.00 N ATOM 526 CA VAL A 33 27.604 -2.940 -1.425 1.00 0.00 C ATOM 527 C VAL A 33 28.970 -2.304 -1.527 1.00 0.00 C ATOM 528 O VAL A 33 29.450 -1.734 -0.560 1.00 0.00 O ATOM 529 CB VAL A 33 26.494 -1.967 -1.944 1.00 0.00 C ATOM 530 CG1 VAL A 33 25.174 -2.242 -1.305 1.00 0.00 C ATOM 531 CG2 VAL A 33 26.822 -0.496 -1.850 1.00 0.00 C ATOM 0 H VAL A 33 27.422 -2.589 0.617 1.00 0.00 H new ATOM 0 HA VAL A 33 27.549 -3.823 -2.062 1.00 0.00 H new ATOM 0 HB VAL A 33 26.440 -2.185 -3.011 1.00 0.00 H new ATOM 0 HG11 VAL A 33 24.430 -1.545 -1.692 1.00 0.00 H new ATOM 0 HG12 VAL A 33 24.866 -3.263 -1.530 1.00 0.00 H new ATOM 0 HG13 VAL A 33 25.260 -2.119 -0.225 1.00 0.00 H new ATOM 0 HG21 VAL A 33 25.987 0.088 -2.236 1.00 0.00 H new ATOM 0 HG22 VAL A 33 27.001 -0.229 -0.809 1.00 0.00 H new ATOM 0 HG23 VAL A 33 27.715 -0.284 -2.438 1.00 0.00 H new ATOM 541 N PHE A 34 29.611 -2.449 -2.640 1.00 0.00 N ATOM 542 CA PHE A 34 30.894 -1.832 -2.842 1.00 0.00 C ATOM 543 C PHE A 34 30.693 -0.511 -3.544 1.00 0.00 C ATOM 544 O PHE A 34 31.334 0.488 -3.239 1.00 0.00 O ATOM 545 CB PHE A 34 31.780 -2.744 -3.659 1.00 0.00 C ATOM 546 CG PHE A 34 32.039 -4.076 -3.010 1.00 0.00 C ATOM 547 CD1 PHE A 34 32.776 -4.162 -1.838 1.00 0.00 C ATOM 548 CD2 PHE A 34 31.555 -5.243 -3.577 1.00 0.00 C ATOM 549 CE1 PHE A 34 33.021 -5.386 -1.246 1.00 0.00 C ATOM 550 CE2 PHE A 34 31.796 -6.467 -2.987 1.00 0.00 C ATOM 551 CZ PHE A 34 32.530 -6.538 -1.819 1.00 0.00 C ATOM 0 H PHE A 34 29.270 -2.992 -3.433 1.00 0.00 H new ATOM 0 HA PHE A 34 31.381 -1.658 -1.883 1.00 0.00 H new ATOM 0 HB2 PHE A 34 31.318 -2.908 -4.633 1.00 0.00 H new ATOM 0 HB3 PHE A 34 32.733 -2.246 -3.838 1.00 0.00 H new ATOM 0 HD1 PHE A 34 33.163 -3.262 -1.383 1.00 0.00 H new ATOM 0 HD2 PHE A 34 30.982 -5.195 -4.491 1.00 0.00 H new ATOM 0 HE1 PHE A 34 33.597 -5.439 -0.334 1.00 0.00 H new ATOM 0 HE2 PHE A 34 31.411 -7.369 -3.438 1.00 0.00 H new ATOM 0 HZ PHE A 34 32.719 -7.495 -1.356 1.00 0.00 H new ATOM 561 N SER A 35 29.767 -0.507 -4.464 1.00 0.00 N ATOM 562 CA SER A 35 29.426 0.651 -5.168 1.00 0.00 C ATOM 563 C SER A 35 28.060 1.050 -4.724 1.00 0.00 C ATOM 564 O SER A 35 27.095 0.305 -4.935 1.00 0.00 O ATOM 565 CB SER A 35 29.414 0.362 -6.665 1.00 0.00 C ATOM 566 OG SER A 35 29.040 1.502 -7.412 1.00 0.00 O ATOM 0 H SER A 35 29.233 -1.333 -4.733 1.00 0.00 H new ATOM 0 HA SER A 35 30.147 1.446 -4.977 1.00 0.00 H new ATOM 0 HB2 SER A 35 30.403 0.028 -6.980 1.00 0.00 H new ATOM 0 HB3 SER A 35 28.721 -0.453 -6.873 1.00 0.00 H new ATOM 0 HG SER A 35 29.844 1.974 -7.713 1.00 0.00 H new ATOM 572 N MET A 36 27.952 2.196 -4.090 1.00 0.00 N ATOM 573 CA MET A 36 26.653 2.706 -3.712 1.00 0.00 C ATOM 574 C MET A 36 25.858 2.984 -4.933 1.00 0.00 C ATOM 575 O MET A 36 24.664 2.788 -4.952 1.00 0.00 O ATOM 576 CB MET A 36 26.741 3.949 -2.845 1.00 0.00 C ATOM 577 CG MET A 36 26.937 3.656 -1.376 1.00 0.00 C ATOM 578 SD MET A 36 25.574 4.291 -0.373 1.00 0.00 S ATOM 579 CE MET A 36 24.179 3.422 -1.096 1.00 0.00 C ATOM 0 H MET A 36 28.740 2.788 -3.827 1.00 0.00 H new ATOM 0 HA MET A 36 26.161 1.941 -3.111 1.00 0.00 H new ATOM 0 HB2 MET A 36 27.567 4.567 -3.196 1.00 0.00 H new ATOM 0 HB3 MET A 36 25.830 4.533 -2.971 1.00 0.00 H new ATOM 0 HG2 MET A 36 27.025 2.579 -1.229 1.00 0.00 H new ATOM 0 HG3 MET A 36 27.873 4.101 -1.039 1.00 0.00 H new ATOM 0 HE1 MET A 36 23.274 3.656 -0.535 1.00 0.00 H new ATOM 0 HE2 MET A 36 24.054 3.733 -2.133 1.00 0.00 H new ATOM 0 HE3 MET A 36 24.361 2.348 -1.059 1.00 0.00 H new ATOM 589 N ASP A 37 26.559 3.329 -5.984 1.00 0.00 N ATOM 590 CA ASP A 37 25.944 3.642 -7.264 1.00 0.00 C ATOM 591 C ASP A 37 25.288 2.409 -7.831 1.00 0.00 C ATOM 592 O ASP A 37 24.211 2.484 -8.432 1.00 0.00 O ATOM 593 CB ASP A 37 26.964 4.185 -8.258 1.00 0.00 C ATOM 594 CG ASP A 37 26.336 4.495 -9.600 1.00 0.00 C ATOM 595 OD1 ASP A 37 25.672 5.550 -9.735 1.00 0.00 O ATOM 596 OD2 ASP A 37 26.496 3.696 -10.543 1.00 0.00 O ATOM 0 H ASP A 37 27.576 3.403 -5.983 1.00 0.00 H new ATOM 0 HA ASP A 37 25.194 4.415 -7.095 1.00 0.00 H new ATOM 0 HB2 ASP A 37 27.420 5.089 -7.853 1.00 0.00 H new ATOM 0 HB3 ASP A 37 27.764 3.457 -8.391 1.00 0.00 H new ATOM 601 N ASP A 38 25.901 1.261 -7.576 1.00 0.00 N ATOM 602 CA ASP A 38 25.365 0.009 -8.057 1.00 0.00 C ATOM 603 C ASP A 38 24.149 -0.350 -7.244 1.00 0.00 C ATOM 604 O ASP A 38 23.191 -0.889 -7.761 1.00 0.00 O ATOM 605 CB ASP A 38 26.385 -1.113 -7.989 1.00 0.00 C ATOM 606 CG ASP A 38 25.842 -2.394 -8.575 1.00 0.00 C ATOM 607 OD1 ASP A 38 25.670 -2.478 -9.817 1.00 0.00 O ATOM 608 OD2 ASP A 38 25.552 -3.331 -7.808 1.00 0.00 O ATOM 0 H ASP A 38 26.765 1.178 -7.041 1.00 0.00 H new ATOM 0 HA ASP A 38 25.096 0.136 -9.106 1.00 0.00 H new ATOM 0 HB2 ASP A 38 27.286 -0.819 -8.527 1.00 0.00 H new ATOM 0 HB3 ASP A 38 26.674 -1.281 -6.951 1.00 0.00 H new ATOM 613 N PHE A 39 24.193 -0.011 -5.960 1.00 0.00 N ATOM 614 CA PHE A 39 23.077 -0.183 -5.082 1.00 0.00 C ATOM 615 C PHE A 39 21.898 0.664 -5.587 1.00 0.00 C ATOM 616 O PHE A 39 20.762 0.192 -5.677 1.00 0.00 O ATOM 617 CB PHE A 39 23.466 0.244 -3.669 1.00 0.00 C ATOM 618 CG PHE A 39 22.335 0.211 -2.688 1.00 0.00 C ATOM 619 CD1 PHE A 39 22.024 -0.944 -1.997 1.00 0.00 C ATOM 620 CD2 PHE A 39 21.591 1.345 -2.460 1.00 0.00 C ATOM 621 CE1 PHE A 39 20.987 -0.961 -1.099 1.00 0.00 C ATOM 622 CE2 PHE A 39 20.557 1.338 -1.571 1.00 0.00 C ATOM 623 CZ PHE A 39 20.251 0.191 -0.890 1.00 0.00 C ATOM 0 H PHE A 39 25.016 0.392 -5.512 1.00 0.00 H new ATOM 0 HA PHE A 39 22.781 -1.232 -5.064 1.00 0.00 H new ATOM 0 HB2 PHE A 39 24.263 -0.407 -3.310 1.00 0.00 H new ATOM 0 HB3 PHE A 39 23.872 1.255 -3.705 1.00 0.00 H new ATOM 0 HD1 PHE A 39 22.602 -1.841 -2.165 1.00 0.00 H new ATOM 0 HD2 PHE A 39 21.829 2.254 -2.993 1.00 0.00 H new ATOM 0 HE1 PHE A 39 20.748 -1.866 -0.560 1.00 0.00 H new ATOM 0 HE2 PHE A 39 19.981 2.236 -1.405 1.00 0.00 H new ATOM 0 HZ PHE A 39 19.431 0.185 -0.187 1.00 0.00 H new ATOM 633 N TRP A 40 22.196 1.915 -5.940 1.00 0.00 N ATOM 634 CA TRP A 40 21.194 2.836 -6.456 1.00 0.00 C ATOM 635 C TRP A 40 20.635 2.343 -7.758 1.00 0.00 C ATOM 636 O TRP A 40 19.458 2.473 -8.016 1.00 0.00 O ATOM 637 CB TRP A 40 21.748 4.261 -6.615 1.00 0.00 C ATOM 638 CG TRP A 40 22.218 4.854 -5.325 1.00 0.00 C ATOM 639 CD1 TRP A 40 23.432 5.408 -5.062 1.00 0.00 C ATOM 640 CD2 TRP A 40 21.480 4.922 -4.116 1.00 0.00 C ATOM 641 NE1 TRP A 40 23.514 5.769 -3.746 1.00 0.00 N ATOM 642 CE2 TRP A 40 22.308 5.498 -3.147 1.00 0.00 C ATOM 643 CE3 TRP A 40 20.198 4.539 -3.763 1.00 0.00 C ATOM 644 CZ2 TRP A 40 21.877 5.694 -1.840 1.00 0.00 C ATOM 645 CZ3 TRP A 40 19.777 4.738 -2.486 1.00 0.00 C ATOM 646 CH2 TRP A 40 20.600 5.301 -1.538 1.00 0.00 C ATOM 0 H TRP A 40 23.133 2.312 -5.875 1.00 0.00 H new ATOM 0 HA TRP A 40 20.389 2.877 -5.722 1.00 0.00 H new ATOM 0 HB2 TRP A 40 22.576 4.246 -7.324 1.00 0.00 H new ATOM 0 HB3 TRP A 40 20.975 4.900 -7.041 1.00 0.00 H new ATOM 0 HD1 TRP A 40 24.219 5.543 -5.789 1.00 0.00 H new ATOM 0 HE1 TRP A 40 24.331 6.171 -3.287 1.00 0.00 H new ATOM 0 HE3 TRP A 40 19.541 4.088 -4.492 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 22.521 6.137 -1.095 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 18.774 4.448 -2.209 1.00 0.00 H new ATOM 0 HH2 TRP A 40 20.231 5.436 -0.532 1.00 0.00 H new ATOM 657 N ALA A 41 21.475 1.754 -8.554 1.00 0.00 N ATOM 658 CA ALA A 41 21.064 1.208 -9.828 1.00 0.00 C ATOM 659 C ALA A 41 20.211 -0.029 -9.620 1.00 0.00 C ATOM 660 O ALA A 41 19.245 -0.254 -10.337 1.00 0.00 O ATOM 661 CB ALA A 41 22.273 0.900 -10.683 1.00 0.00 C ATOM 0 H ALA A 41 22.466 1.634 -8.346 1.00 0.00 H new ATOM 0 HA ALA A 41 20.461 1.950 -10.352 1.00 0.00 H new ATOM 0 HB1 ALA A 41 21.948 0.490 -11.639 1.00 0.00 H new ATOM 0 HB2 ALA A 41 22.840 1.815 -10.855 1.00 0.00 H new ATOM 0 HB3 ALA A 41 22.904 0.173 -10.172 1.00 0.00 H new ATOM 667 N ALA A 42 20.547 -0.794 -8.614 1.00 0.00 N ATOM 668 CA ALA A 42 19.835 -2.012 -8.289 1.00 0.00 C ATOM 669 C ALA A 42 18.422 -1.710 -7.800 1.00 0.00 C ATOM 670 O ALA A 42 17.457 -2.374 -8.194 1.00 0.00 O ATOM 671 CB ALA A 42 20.605 -2.801 -7.245 1.00 0.00 C ATOM 0 H ALA A 42 21.328 -0.592 -7.990 1.00 0.00 H new ATOM 0 HA ALA A 42 19.751 -2.613 -9.195 1.00 0.00 H new ATOM 0 HB1 ALA A 42 20.062 -3.716 -7.007 1.00 0.00 H new ATOM 0 HB2 ALA A 42 21.591 -3.055 -7.635 1.00 0.00 H new ATOM 0 HB3 ALA A 42 20.716 -2.199 -6.343 1.00 0.00 H new ATOM 677 N TYR A 43 18.295 -0.693 -6.975 1.00 0.00 N ATOM 678 CA TYR A 43 17.022 -0.334 -6.404 1.00 0.00 C ATOM 679 C TYR A 43 16.458 0.913 -7.037 1.00 0.00 C ATOM 680 O TYR A 43 15.545 1.525 -6.495 1.00 0.00 O ATOM 681 CB TYR A 43 17.156 -0.193 -4.885 1.00 0.00 C ATOM 682 CG TYR A 43 17.477 -1.510 -4.216 1.00 0.00 C ATOM 683 CD1 TYR A 43 18.783 -1.948 -4.065 1.00 0.00 C ATOM 684 CD2 TYR A 43 16.462 -2.334 -3.780 1.00 0.00 C ATOM 685 CE1 TYR A 43 19.059 -3.173 -3.500 1.00 0.00 C ATOM 686 CE2 TYR A 43 16.724 -3.552 -3.206 1.00 0.00 C ATOM 687 CZ TYR A 43 18.022 -3.971 -3.071 1.00 0.00 C ATOM 688 OH TYR A 43 18.286 -5.202 -2.515 1.00 0.00 O ATOM 0 H TYR A 43 19.070 -0.096 -6.684 1.00 0.00 H new ATOM 0 HA TYR A 43 16.310 -1.132 -6.614 1.00 0.00 H new ATOM 0 HB2 TYR A 43 17.940 0.529 -4.656 1.00 0.00 H new ATOM 0 HB3 TYR A 43 16.227 0.204 -4.475 1.00 0.00 H new ATOM 0 HD1 TYR A 43 19.597 -1.319 -4.395 1.00 0.00 H new ATOM 0 HD2 TYR A 43 15.437 -2.013 -3.893 1.00 0.00 H new ATOM 0 HE1 TYR A 43 20.081 -3.505 -3.394 1.00 0.00 H new ATOM 0 HE2 TYR A 43 15.913 -4.177 -2.863 1.00 0.00 H new ATOM 0 HH TYR A 43 19.211 -5.224 -2.193 1.00 0.00 H new ATOM 698 N ALA A 44 16.987 1.263 -8.208 1.00 0.00 N ATOM 699 CA ALA A 44 16.532 2.411 -8.994 1.00 0.00 C ATOM 700 C ALA A 44 15.011 2.459 -9.188 1.00 0.00 C ATOM 701 O ALA A 44 14.425 3.539 -9.231 1.00 0.00 O ATOM 702 CB ALA A 44 17.222 2.428 -10.349 1.00 0.00 C ATOM 0 H ALA A 44 17.754 0.751 -8.644 1.00 0.00 H new ATOM 0 HA ALA A 44 16.803 3.297 -8.420 1.00 0.00 H new ATOM 0 HB1 ALA A 44 16.875 3.287 -10.923 1.00 0.00 H new ATOM 0 HB2 ALA A 44 18.300 2.498 -10.207 1.00 0.00 H new ATOM 0 HB3 ALA A 44 16.986 1.511 -10.889 1.00 0.00 H new ATOM 708 N GLY A 45 14.384 1.303 -9.271 1.00 0.00 N ATOM 709 CA GLY A 45 12.958 1.249 -9.492 1.00 0.00 C ATOM 710 C GLY A 45 12.137 1.453 -8.223 1.00 0.00 C ATOM 711 O GLY A 45 10.926 1.656 -8.292 1.00 0.00 O ATOM 0 H GLY A 45 14.839 0.394 -9.189 1.00 0.00 H new ATOM 0 HA2 GLY A 45 12.682 2.012 -10.220 1.00 0.00 H new ATOM 0 HA3 GLY A 45 12.702 0.284 -9.929 1.00 0.00 H new ATOM 715 N TRP A 46 12.760 1.327 -7.072 1.00 0.00 N ATOM 716 CA TRP A 46 12.083 1.563 -5.809 1.00 0.00 C ATOM 717 C TRP A 46 12.053 3.069 -5.563 1.00 0.00 C ATOM 718 O TRP A 46 12.913 3.788 -6.063 1.00 0.00 O ATOM 719 CB TRP A 46 12.852 0.903 -4.657 1.00 0.00 C ATOM 720 CG TRP A 46 13.043 -0.573 -4.740 1.00 0.00 C ATOM 721 CD1 TRP A 46 13.777 -1.254 -5.654 1.00 0.00 C ATOM 722 CD2 TRP A 46 12.533 -1.544 -3.835 1.00 0.00 C ATOM 723 NE1 TRP A 46 13.703 -2.594 -5.416 1.00 0.00 N ATOM 724 CE2 TRP A 46 12.954 -2.802 -4.294 1.00 0.00 C ATOM 725 CE3 TRP A 46 11.744 -1.473 -2.692 1.00 0.00 C ATOM 726 CZ2 TRP A 46 12.610 -3.977 -3.652 1.00 0.00 C ATOM 727 CZ3 TRP A 46 11.404 -2.638 -2.056 1.00 0.00 C ATOM 728 CH2 TRP A 46 11.837 -3.877 -2.538 1.00 0.00 C ATOM 0 H TRP A 46 13.740 1.061 -6.981 1.00 0.00 H new ATOM 0 HA TRP A 46 11.077 1.145 -5.854 1.00 0.00 H new ATOM 0 HB2 TRP A 46 13.835 1.370 -4.592 1.00 0.00 H new ATOM 0 HB3 TRP A 46 12.330 1.127 -3.727 1.00 0.00 H new ATOM 0 HD1 TRP A 46 14.340 -0.800 -6.456 1.00 0.00 H new ATOM 0 HE1 TRP A 46 14.136 -3.322 -5.984 1.00 0.00 H new ATOM 0 HE3 TRP A 46 11.406 -0.519 -2.314 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 12.942 -4.936 -4.021 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 10.791 -2.599 -1.168 1.00 0.00 H new ATOM 0 HH2 TRP A 46 11.551 -4.776 -2.013 1.00 0.00 H new ATOM 739 N THR A 47 11.095 3.544 -4.820 1.00 0.00 N ATOM 740 CA THR A 47 11.032 4.916 -4.483 1.00 0.00 C ATOM 741 C THR A 47 11.871 5.150 -3.236 1.00 0.00 C ATOM 742 O THR A 47 11.617 4.536 -2.189 1.00 0.00 O ATOM 743 CB THR A 47 9.577 5.324 -4.214 1.00 0.00 C ATOM 744 OG1 THR A 47 8.781 5.113 -5.391 1.00 0.00 O ATOM 745 CG2 THR A 47 9.485 6.771 -3.775 1.00 0.00 C ATOM 0 H THR A 47 10.338 2.979 -4.435 1.00 0.00 H new ATOM 0 HA THR A 47 11.416 5.516 -5.308 1.00 0.00 H new ATOM 0 HB THR A 47 9.195 4.701 -3.405 1.00 0.00 H new ATOM 0 HG1 THR A 47 7.995 4.575 -5.162 1.00 0.00 H new ATOM 0 HG21 THR A 47 8.442 7.030 -3.592 1.00 0.00 H new ATOM 0 HG22 THR A 47 10.060 6.911 -2.859 1.00 0.00 H new ATOM 0 HG23 THR A 47 9.887 7.415 -4.557 1.00 0.00 H new ATOM 753 N LEU A 48 12.890 5.971 -3.361 1.00 0.00 N ATOM 754 CA LEU A 48 13.710 6.319 -2.237 1.00 0.00 C ATOM 755 C LEU A 48 12.923 7.222 -1.353 1.00 0.00 C ATOM 756 O LEU A 48 12.376 8.229 -1.815 1.00 0.00 O ATOM 757 CB LEU A 48 14.945 7.062 -2.667 1.00 0.00 C ATOM 758 CG LEU A 48 15.919 7.359 -1.537 1.00 0.00 C ATOM 759 CD1 LEU A 48 16.835 6.222 -1.238 1.00 0.00 C ATOM 760 CD2 LEU A 48 16.607 8.638 -1.768 1.00 0.00 C ATOM 0 H LEU A 48 13.167 6.410 -4.239 1.00 0.00 H new ATOM 0 HA LEU A 48 14.008 5.402 -1.729 1.00 0.00 H new ATOM 0 HB2 LEU A 48 15.459 6.478 -3.431 1.00 0.00 H new ATOM 0 HB3 LEU A 48 14.647 8.002 -3.131 1.00 0.00 H new ATOM 0 HG LEU A 48 15.340 7.475 -0.621 1.00 0.00 H new ATOM 0 HD11 LEU A 48 17.504 6.498 -0.423 1.00 0.00 H new ATOM 0 HD12 LEU A 48 16.249 5.350 -0.947 1.00 0.00 H new ATOM 0 HD13 LEU A 48 17.422 5.985 -2.125 1.00 0.00 H new ATOM 0 HD21 LEU A 48 17.299 8.832 -0.949 1.00 0.00 H new ATOM 0 HD22 LEU A 48 17.160 8.590 -2.706 1.00 0.00 H new ATOM 0 HD23 LEU A 48 15.873 9.442 -1.821 1.00 0.00 H new ATOM 772 N VAL A 49 12.810 6.871 -0.125 1.00 0.00 N ATOM 773 CA VAL A 49 12.102 7.706 0.785 1.00 0.00 C ATOM 774 C VAL A 49 13.068 8.468 1.664 1.00 0.00 C ATOM 775 O VAL A 49 12.880 9.663 1.924 1.00 0.00 O ATOM 776 CB VAL A 49 11.027 6.938 1.590 1.00 0.00 C ATOM 777 CG1 VAL A 49 10.298 7.845 2.551 1.00 0.00 C ATOM 778 CG2 VAL A 49 10.060 6.295 0.637 1.00 0.00 C ATOM 0 H VAL A 49 13.195 6.016 0.276 1.00 0.00 H new ATOM 0 HA VAL A 49 11.544 8.438 0.201 1.00 0.00 H new ATOM 0 HB VAL A 49 11.522 6.170 2.184 1.00 0.00 H new ATOM 0 HG11 VAL A 49 9.551 7.270 3.098 1.00 0.00 H new ATOM 0 HG12 VAL A 49 11.010 8.278 3.254 1.00 0.00 H new ATOM 0 HG13 VAL A 49 9.806 8.643 1.996 1.00 0.00 H new ATOM 0 HG21 VAL A 49 9.301 5.753 1.200 1.00 0.00 H new ATOM 0 HG22 VAL A 49 9.582 7.064 0.030 1.00 0.00 H new ATOM 0 HG23 VAL A 49 10.595 5.601 -0.012 1.00 0.00 H new ATOM 788 N GLU A 50 14.104 7.809 2.086 1.00 0.00 N ATOM 789 CA GLU A 50 15.144 8.459 2.853 1.00 0.00 C ATOM 790 C GLU A 50 16.364 7.607 2.851 1.00 0.00 C ATOM 791 O GLU A 50 16.283 6.408 2.618 1.00 0.00 O ATOM 792 CB GLU A 50 14.739 8.765 4.315 1.00 0.00 C ATOM 793 CG GLU A 50 14.465 7.554 5.164 1.00 0.00 C ATOM 794 CD GLU A 50 14.237 7.901 6.607 1.00 0.00 C ATOM 795 OE1 GLU A 50 15.192 8.319 7.288 1.00 0.00 O ATOM 796 OE2 GLU A 50 13.097 7.738 7.100 1.00 0.00 O ATOM 0 H GLU A 50 14.260 6.816 1.915 1.00 0.00 H new ATOM 0 HA GLU A 50 15.331 9.419 2.372 1.00 0.00 H new ATOM 0 HB2 GLU A 50 15.534 9.346 4.783 1.00 0.00 H new ATOM 0 HB3 GLU A 50 13.848 9.393 4.306 1.00 0.00 H new ATOM 0 HG2 GLU A 50 13.589 7.034 4.776 1.00 0.00 H new ATOM 0 HG3 GLU A 50 15.305 6.864 5.088 1.00 0.00 H new ATOM 803 N GLN A 51 17.473 8.213 3.048 1.00 0.00 N ATOM 804 CA GLN A 51 18.691 7.525 3.218 1.00 0.00 C ATOM 805 C GLN A 51 19.544 8.221 4.244 1.00 0.00 C ATOM 806 O GLN A 51 19.514 9.454 4.380 1.00 0.00 O ATOM 807 CB GLN A 51 19.422 7.370 1.909 1.00 0.00 C ATOM 808 CG GLN A 51 19.699 8.657 1.176 1.00 0.00 C ATOM 809 CD GLN A 51 20.451 8.386 -0.074 1.00 0.00 C ATOM 810 OE1 GLN A 51 21.672 8.401 -0.099 1.00 0.00 O ATOM 811 NE2 GLN A 51 19.741 8.070 -1.096 1.00 0.00 N ATOM 0 H GLN A 51 17.559 9.228 3.096 1.00 0.00 H new ATOM 0 HA GLN A 51 18.469 6.522 3.582 1.00 0.00 H new ATOM 0 HB2 GLN A 51 20.370 6.866 2.097 1.00 0.00 H new ATOM 0 HB3 GLN A 51 18.838 6.718 1.259 1.00 0.00 H new ATOM 0 HG2 GLN A 51 18.760 9.160 0.942 1.00 0.00 H new ATOM 0 HG3 GLN A 51 20.271 9.331 1.814 1.00 0.00 H new ATOM 0 HE21 GLN A 51 18.723 8.071 -1.030 1.00 0.00 H new ATOM 0 HE22 GLN A 51 20.195 7.818 -1.974 1.00 0.00 H new ATOM 820 N LYS A 52 20.247 7.446 4.978 1.00 0.00 N ATOM 821 CA LYS A 52 21.146 7.911 5.991 1.00 0.00 C ATOM 822 C LYS A 52 22.347 6.989 5.973 1.00 0.00 C ATOM 823 O LYS A 52 22.293 5.938 5.320 1.00 0.00 O ATOM 824 CB LYS A 52 20.410 7.960 7.348 1.00 0.00 C ATOM 825 CG LYS A 52 19.649 6.691 7.668 1.00 0.00 C ATOM 826 CD LYS A 52 18.608 6.859 8.783 1.00 0.00 C ATOM 827 CE LYS A 52 19.185 7.356 10.078 1.00 0.00 C ATOM 828 NZ LYS A 52 18.183 7.326 11.168 1.00 0.00 N ATOM 0 H LYS A 52 20.219 6.430 4.896 1.00 0.00 H new ATOM 0 HA LYS A 52 21.497 8.927 5.811 1.00 0.00 H new ATOM 0 HB2 LYS A 52 21.136 8.149 8.139 1.00 0.00 H new ATOM 0 HB3 LYS A 52 19.715 8.800 7.346 1.00 0.00 H new ATOM 0 HG2 LYS A 52 19.148 6.341 6.765 1.00 0.00 H new ATOM 0 HG3 LYS A 52 20.358 5.916 7.959 1.00 0.00 H new ATOM 0 HD2 LYS A 52 17.839 7.554 8.448 1.00 0.00 H new ATOM 0 HD3 LYS A 52 18.118 5.901 8.958 1.00 0.00 H new ATOM 0 HE2 LYS A 52 20.043 6.742 10.354 1.00 0.00 H new ATOM 0 HE3 LYS A 52 19.551 8.374 9.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 18.615 7.676 12.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 17.376 7.931 10.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 17.853 6.350 11.309 1.00 0.00 H new ATOM 842 N LYS A 53 23.419 7.355 6.626 1.00 0.00 N ATOM 843 CA LYS A 53 24.647 6.581 6.539 1.00 0.00 C ATOM 844 C LYS A 53 24.500 5.221 7.231 1.00 0.00 C ATOM 845 O LYS A 53 24.581 5.121 8.455 1.00 0.00 O ATOM 846 CB LYS A 53 25.834 7.371 7.114 1.00 0.00 C ATOM 847 CG LYS A 53 27.201 6.768 6.794 1.00 0.00 C ATOM 848 CD LYS A 53 27.481 6.796 5.289 1.00 0.00 C ATOM 849 CE LYS A 53 28.818 6.161 4.954 1.00 0.00 C ATOM 850 NZ LYS A 53 29.107 6.197 3.500 1.00 0.00 N ATOM 0 H LYS A 53 23.475 8.180 7.224 1.00 0.00 H new ATOM 0 HA LYS A 53 24.847 6.392 5.484 1.00 0.00 H new ATOM 0 HB2 LYS A 53 25.799 8.390 6.728 1.00 0.00 H new ATOM 0 HB3 LYS A 53 25.722 7.436 8.196 1.00 0.00 H new ATOM 0 HG2 LYS A 53 27.978 7.322 7.321 1.00 0.00 H new ATOM 0 HG3 LYS A 53 27.241 5.740 7.155 1.00 0.00 H new ATOM 0 HD2 LYS A 53 26.686 6.269 4.761 1.00 0.00 H new ATOM 0 HD3 LYS A 53 27.469 7.827 4.936 1.00 0.00 H new ATOM 0 HE2 LYS A 53 29.610 6.681 5.493 1.00 0.00 H new ATOM 0 HE3 LYS A 53 28.823 5.127 5.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 30.030 5.753 3.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 28.366 5.679 2.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 29.128 7.185 3.175 1.00 0.00 H new ATOM 864 N GLY A 54 24.226 4.199 6.439 1.00 0.00 N ATOM 865 CA GLY A 54 24.092 2.864 6.962 1.00 0.00 C ATOM 866 C GLY A 54 22.705 2.282 6.752 1.00 0.00 C ATOM 867 O GLY A 54 22.524 1.065 6.815 1.00 0.00 O ATOM 0 H GLY A 54 24.093 4.275 5.431 1.00 0.00 H new ATOM 0 HA2 GLY A 54 24.828 2.217 6.485 1.00 0.00 H new ATOM 0 HA3 GLY A 54 24.319 2.873 8.028 1.00 0.00 H new ATOM 871 N TYR A 55 21.718 3.125 6.515 1.00 0.00 N ATOM 872 CA TYR A 55 20.376 2.672 6.303 1.00 0.00 C ATOM 873 C TYR A 55 19.706 3.457 5.173 1.00 0.00 C ATOM 874 O TYR A 55 19.854 4.670 5.071 1.00 0.00 O ATOM 875 CB TYR A 55 19.604 2.789 7.629 1.00 0.00 C ATOM 876 CG TYR A 55 18.098 2.830 7.511 1.00 0.00 C ATOM 877 CD1 TYR A 55 17.486 4.037 7.366 1.00 0.00 C ATOM 878 CD2 TYR A 55 17.313 1.697 7.549 1.00 0.00 C ATOM 879 CE1 TYR A 55 16.136 4.164 7.257 1.00 0.00 C ATOM 880 CE2 TYR A 55 15.939 1.790 7.438 1.00 0.00 C ATOM 881 CZ TYR A 55 15.351 3.033 7.292 1.00 0.00 C ATOM 882 OH TYR A 55 13.978 3.144 7.172 1.00 0.00 O ATOM 0 H TYR A 55 21.833 4.137 6.466 1.00 0.00 H new ATOM 0 HA TYR A 55 20.379 1.628 5.990 1.00 0.00 H new ATOM 0 HB2 TYR A 55 19.877 1.945 8.263 1.00 0.00 H new ATOM 0 HB3 TYR A 55 19.934 3.692 8.142 1.00 0.00 H new ATOM 0 HD1 TYR A 55 18.096 4.928 7.336 1.00 0.00 H new ATOM 0 HD2 TYR A 55 17.776 0.728 7.667 1.00 0.00 H new ATOM 0 HE1 TYR A 55 15.686 5.139 7.144 1.00 0.00 H new ATOM 0 HE2 TYR A 55 15.329 0.899 7.465 1.00 0.00 H new ATOM 0 HH TYR A 55 13.552 2.338 7.532 1.00 0.00 H new ATOM 892 N VAL A 56 18.985 2.762 4.344 1.00 0.00 N ATOM 893 CA VAL A 56 18.263 3.360 3.255 1.00 0.00 C ATOM 894 C VAL A 56 16.826 2.840 3.264 1.00 0.00 C ATOM 895 O VAL A 56 16.589 1.643 3.431 1.00 0.00 O ATOM 896 CB VAL A 56 18.928 3.050 1.877 1.00 0.00 C ATOM 897 CG1 VAL A 56 18.088 3.594 0.747 1.00 0.00 C ATOM 898 CG2 VAL A 56 20.326 3.647 1.791 1.00 0.00 C ATOM 0 H VAL A 56 18.879 1.749 4.404 1.00 0.00 H new ATOM 0 HA VAL A 56 18.276 4.442 3.390 1.00 0.00 H new ATOM 0 HB VAL A 56 19.001 1.966 1.789 1.00 0.00 H new ATOM 0 HG11 VAL A 56 18.568 3.368 -0.205 1.00 0.00 H new ATOM 0 HG12 VAL A 56 17.100 3.134 0.774 1.00 0.00 H new ATOM 0 HG13 VAL A 56 17.988 4.674 0.855 1.00 0.00 H new ATOM 0 HG21 VAL A 56 20.762 3.414 0.820 1.00 0.00 H new ATOM 0 HG22 VAL A 56 20.268 4.729 1.912 1.00 0.00 H new ATOM 0 HG23 VAL A 56 20.950 3.227 2.579 1.00 0.00 H new ATOM 908 N LEU A 57 15.898 3.727 3.124 1.00 0.00 N ATOM 909 CA LEU A 57 14.507 3.386 3.069 1.00 0.00 C ATOM 910 C LEU A 57 13.980 3.527 1.641 1.00 0.00 C ATOM 911 O LEU A 57 13.983 4.644 1.056 1.00 0.00 O ATOM 912 CB LEU A 57 13.719 4.247 4.065 1.00 0.00 C ATOM 913 CG LEU A 57 12.203 4.347 3.859 1.00 0.00 C ATOM 914 CD1 LEU A 57 11.497 3.036 3.900 1.00 0.00 C ATOM 915 CD2 LEU A 57 11.560 5.341 4.803 1.00 0.00 C ATOM 0 H LEU A 57 16.083 4.727 3.043 1.00 0.00 H new ATOM 0 HA LEU A 57 14.376 2.343 3.358 1.00 0.00 H new ATOM 0 HB2 LEU A 57 13.899 3.855 5.066 1.00 0.00 H new ATOM 0 HB3 LEU A 57 14.131 5.256 4.039 1.00 0.00 H new ATOM 0 HG LEU A 57 12.086 4.721 2.842 1.00 0.00 H new ATOM 0 HD11 LEU A 57 10.429 3.193 3.746 1.00 0.00 H new ATOM 0 HD12 LEU A 57 11.886 2.389 3.114 1.00 0.00 H new ATOM 0 HD13 LEU A 57 11.659 2.566 4.870 1.00 0.00 H new ATOM 0 HD21 LEU A 57 10.486 5.376 4.618 1.00 0.00 H new ATOM 0 HD22 LEU A 57 11.741 5.034 5.833 1.00 0.00 H new ATOM 0 HD23 LEU A 57 11.989 6.329 4.638 1.00 0.00 H new ATOM 927 N PHE A 58 13.552 2.399 1.098 1.00 0.00 N ATOM 928 CA PHE A 58 12.997 2.285 -0.243 1.00 0.00 C ATOM 929 C PHE A 58 11.620 1.658 -0.206 1.00 0.00 C ATOM 930 O PHE A 58 11.351 0.761 0.572 1.00 0.00 O ATOM 931 CB PHE A 58 13.869 1.401 -1.138 1.00 0.00 C ATOM 932 CG PHE A 58 14.926 2.094 -1.936 1.00 0.00 C ATOM 933 CD1 PHE A 58 14.571 2.920 -2.974 1.00 0.00 C ATOM 934 CD2 PHE A 58 16.255 1.887 -1.688 1.00 0.00 C ATOM 935 CE1 PHE A 58 15.512 3.537 -3.749 1.00 0.00 C ATOM 936 CE2 PHE A 58 17.209 2.498 -2.467 1.00 0.00 C ATOM 937 CZ PHE A 58 16.832 3.329 -3.500 1.00 0.00 C ATOM 0 H PHE A 58 13.582 1.508 1.594 1.00 0.00 H new ATOM 0 HA PHE A 58 12.951 3.298 -0.643 1.00 0.00 H new ATOM 0 HB2 PHE A 58 14.352 0.652 -0.510 1.00 0.00 H new ATOM 0 HB3 PHE A 58 13.217 0.866 -1.828 1.00 0.00 H new ATOM 0 HD1 PHE A 58 13.524 3.086 -3.182 1.00 0.00 H new ATOM 0 HD2 PHE A 58 16.556 1.241 -0.877 1.00 0.00 H new ATOM 0 HE1 PHE A 58 15.208 4.187 -4.556 1.00 0.00 H new ATOM 0 HE2 PHE A 58 18.257 2.326 -2.269 1.00 0.00 H new ATOM 0 HZ PHE A 58 17.582 3.813 -4.109 1.00 0.00 H new ATOM 947 N ARG A 59 10.762 2.112 -1.049 1.00 0.00 N ATOM 948 CA ARG A 59 9.472 1.511 -1.163 1.00 0.00 C ATOM 949 C ARG A 59 9.185 1.163 -2.596 1.00 0.00 C ATOM 950 O ARG A 59 9.459 1.930 -3.502 1.00 0.00 O ATOM 951 CB ARG A 59 8.373 2.391 -0.593 1.00 0.00 C ATOM 952 CG ARG A 59 8.211 3.718 -1.276 1.00 0.00 C ATOM 953 CD ARG A 59 7.064 4.482 -0.684 1.00 0.00 C ATOM 954 NE ARG A 59 7.229 4.648 0.764 1.00 0.00 N ATOM 955 CZ ARG A 59 6.711 5.613 1.513 1.00 0.00 C ATOM 956 NH1 ARG A 59 5.997 6.592 0.975 1.00 0.00 N ATOM 957 NH2 ARG A 59 6.930 5.587 2.815 1.00 0.00 N ATOM 0 H ARG A 59 10.927 2.901 -1.674 1.00 0.00 H new ATOM 0 HA ARG A 59 9.485 0.597 -0.570 1.00 0.00 H new ATOM 0 HB2 ARG A 59 7.428 1.851 -0.650 1.00 0.00 H new ATOM 0 HB3 ARG A 59 8.577 2.565 0.464 1.00 0.00 H new ATOM 0 HG2 ARG A 59 9.129 4.297 -1.179 1.00 0.00 H new ATOM 0 HG3 ARG A 59 8.042 3.566 -2.342 1.00 0.00 H new ATOM 0 HD2 ARG A 59 6.991 5.460 -1.159 1.00 0.00 H new ATOM 0 HD3 ARG A 59 6.130 3.958 -0.889 1.00 0.00 H new ATOM 0 HE ARG A 59 7.799 3.951 1.243 1.00 0.00 H new ATOM 0 HH11 ARG A 59 5.837 6.613 -0.032 1.00 0.00 H new ATOM 0 HH12 ARG A 59 5.607 7.325 1.568 1.00 0.00 H new ATOM 0 HH21 ARG A 59 7.487 4.836 3.224 1.00 0.00 H new ATOM 0 HH22 ARG A 59 6.542 6.318 3.412 1.00 0.00 H new ATOM 971 N LYS A 60 8.685 0.013 -2.792 1.00 0.00 N ATOM 972 CA LYS A 60 8.300 -0.454 -4.080 1.00 0.00 C ATOM 973 C LYS A 60 6.850 -0.812 -4.034 1.00 0.00 C ATOM 974 O LYS A 60 6.441 -1.744 -3.337 1.00 0.00 O ATOM 975 CB LYS A 60 9.094 -1.688 -4.455 1.00 0.00 C ATOM 976 CG LYS A 60 8.663 -2.358 -5.749 1.00 0.00 C ATOM 977 CD LYS A 60 9.288 -1.731 -6.983 1.00 0.00 C ATOM 978 CE LYS A 60 10.799 -1.904 -6.972 1.00 0.00 C ATOM 979 NZ LYS A 60 11.395 -1.668 -8.293 1.00 0.00 N ATOM 0 H LYS A 60 8.522 -0.661 -2.044 1.00 0.00 H new ATOM 0 HA LYS A 60 8.488 0.325 -4.819 1.00 0.00 H new ATOM 0 HB2 LYS A 60 10.146 -1.414 -4.538 1.00 0.00 H new ATOM 0 HB3 LYS A 60 9.016 -2.413 -3.644 1.00 0.00 H new ATOM 0 HG2 LYS A 60 8.930 -3.414 -5.711 1.00 0.00 H new ATOM 0 HG3 LYS A 60 7.577 -2.307 -5.833 1.00 0.00 H new ATOM 0 HD2 LYS A 60 8.872 -2.190 -7.880 1.00 0.00 H new ATOM 0 HD3 LYS A 60 9.039 -0.670 -7.023 1.00 0.00 H new ATOM 0 HE2 LYS A 60 11.236 -1.215 -6.250 1.00 0.00 H new ATOM 0 HE3 LYS A 60 11.045 -2.912 -6.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 12.401 -1.428 -8.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 11.306 -2.527 -8.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 10.901 -0.882 -8.761 1.00 0.00 H new ATOM 993 N GLN A 61 6.074 -0.080 -4.710 1.00 0.00 N ATOM 994 CA GLN A 61 4.708 -0.366 -4.779 1.00 0.00 C ATOM 995 C GLN A 61 4.408 -1.122 -6.019 1.00 0.00 C ATOM 996 O GLN A 61 4.331 -0.570 -7.109 1.00 0.00 O ATOM 997 CB GLN A 61 3.820 0.860 -4.600 1.00 0.00 C ATOM 998 CG GLN A 61 4.457 2.212 -4.827 1.00 0.00 C ATOM 999 CD GLN A 61 5.522 2.624 -3.813 1.00 0.00 C ATOM 1000 OE1 GLN A 61 6.457 3.327 -4.137 1.00 0.00 O ATOM 1001 NE2 GLN A 61 5.356 2.242 -2.591 1.00 0.00 N ATOM 0 H GLN A 61 6.368 0.742 -5.237 1.00 0.00 H new ATOM 0 HA GLN A 61 4.463 -1.001 -3.928 1.00 0.00 H new ATOM 0 HB2 GLN A 61 2.974 0.767 -5.280 1.00 0.00 H new ATOM 0 HB3 GLN A 61 3.418 0.841 -3.587 1.00 0.00 H new ATOM 0 HG2 GLN A 61 4.906 2.219 -5.820 1.00 0.00 H new ATOM 0 HG3 GLN A 61 3.671 2.967 -4.827 1.00 0.00 H new ATOM 0 HE21 GLN A 61 4.562 1.651 -2.345 1.00 0.00 H new ATOM 0 HE22 GLN A 61 6.019 2.531 -1.872 1.00 0.00 H new ATOM 1010 N MET A 62 4.358 -2.402 -5.853 1.00 0.00 N ATOM 1011 CA MET A 62 4.033 -3.290 -6.912 1.00 0.00 C ATOM 1012 C MET A 62 2.550 -3.273 -7.085 1.00 0.00 C ATOM 1013 O MET A 62 1.799 -3.393 -6.103 1.00 0.00 O ATOM 1014 CB MET A 62 4.588 -4.683 -6.618 1.00 0.00 C ATOM 1015 CG MET A 62 6.111 -4.707 -6.692 1.00 0.00 C ATOM 1016 SD MET A 62 6.873 -6.220 -6.081 1.00 0.00 S ATOM 1017 CE MET A 62 6.517 -6.107 -4.326 1.00 0.00 C ATOM 0 H MET A 62 4.545 -2.864 -4.963 1.00 0.00 H new ATOM 0 HA MET A 62 4.491 -2.977 -7.850 1.00 0.00 H new ATOM 0 HB2 MET A 62 4.266 -5.002 -5.627 1.00 0.00 H new ATOM 0 HB3 MET A 62 4.177 -5.397 -7.332 1.00 0.00 H new ATOM 0 HG2 MET A 62 6.413 -4.558 -7.729 1.00 0.00 H new ATOM 0 HG3 MET A 62 6.502 -3.864 -6.122 1.00 0.00 H new ATOM 0 HE1 MET A 62 6.974 -6.949 -3.807 1.00 0.00 H new ATOM 0 HE2 MET A 62 6.922 -5.175 -3.932 1.00 0.00 H new ATOM 0 HE3 MET A 62 5.438 -6.128 -4.171 1.00 0.00 H new ATOM 1027 N ASP A 63 2.137 -3.079 -8.304 1.00 0.00 N ATOM 1028 CA ASP A 63 0.744 -2.901 -8.659 1.00 0.00 C ATOM 1029 C ASP A 63 -0.002 -4.234 -8.632 1.00 0.00 C ATOM 1030 O ASP A 63 -0.292 -4.849 -9.657 1.00 0.00 O ATOM 1031 CB ASP A 63 0.643 -2.186 -10.020 1.00 0.00 C ATOM 1032 CG ASP A 63 -0.764 -1.915 -10.488 1.00 0.00 C ATOM 1033 OD1 ASP A 63 -1.492 -1.126 -9.855 1.00 0.00 O ATOM 1034 OD2 ASP A 63 -1.150 -2.426 -11.550 1.00 0.00 O ATOM 0 H ASP A 63 2.769 -3.038 -9.104 1.00 0.00 H new ATOM 0 HA ASP A 63 0.257 -2.267 -7.918 1.00 0.00 H new ATOM 0 HB2 ASP A 63 1.179 -1.239 -9.958 1.00 0.00 H new ATOM 0 HB3 ASP A 63 1.151 -2.791 -10.771 1.00 0.00 H new ATOM 1039 N ASP A 64 -0.215 -4.702 -7.430 1.00 0.00 N ATOM 1040 CA ASP A 64 -0.877 -5.948 -7.147 1.00 0.00 C ATOM 1041 C ASP A 64 -1.498 -5.799 -5.760 1.00 0.00 C ATOM 1042 O ASP A 64 -1.293 -4.766 -5.101 1.00 0.00 O ATOM 1043 CB ASP A 64 0.160 -7.088 -7.156 1.00 0.00 C ATOM 1044 CG ASP A 64 -0.452 -8.473 -7.161 1.00 0.00 C ATOM 1045 OD1 ASP A 64 -0.809 -8.984 -6.100 1.00 0.00 O ATOM 1046 OD2 ASP A 64 -0.569 -9.082 -8.234 1.00 0.00 O ATOM 0 H ASP A 64 0.080 -4.206 -6.589 1.00 0.00 H new ATOM 0 HA ASP A 64 -1.640 -6.183 -7.889 1.00 0.00 H new ATOM 0 HB2 ASP A 64 0.797 -6.980 -8.034 1.00 0.00 H new ATOM 0 HB3 ASP A 64 0.803 -6.988 -6.281 1.00 0.00 H new ATOM 1051 N ILE A 65 -2.241 -6.765 -5.316 1.00 0.00 N ATOM 1052 CA ILE A 65 -2.890 -6.691 -4.019 1.00 0.00 C ATOM 1053 C ILE A 65 -2.417 -7.795 -3.062 1.00 0.00 C ATOM 1054 O ILE A 65 -2.583 -7.660 -1.866 1.00 0.00 O ATOM 1055 CB ILE A 65 -4.430 -6.760 -4.148 1.00 0.00 C ATOM 1056 CG1 ILE A 65 -4.854 -8.016 -4.915 1.00 0.00 C ATOM 1057 CG2 ILE A 65 -4.989 -5.498 -4.792 1.00 0.00 C ATOM 1058 CD1 ILE A 65 -6.342 -8.196 -5.012 1.00 0.00 C ATOM 0 H ILE A 65 -2.422 -7.627 -5.830 1.00 0.00 H new ATOM 0 HA ILE A 65 -2.605 -5.726 -3.600 1.00 0.00 H new ATOM 0 HB ILE A 65 -4.850 -6.823 -3.144 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -4.437 -7.974 -5.921 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -4.423 -8.890 -4.427 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -6.073 -5.578 -4.868 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -4.731 -4.633 -4.181 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -4.563 -5.379 -5.788 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -6.563 -9.107 -5.569 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -6.765 -8.271 -4.010 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -6.779 -7.341 -5.527 1.00 0.00 H new ATOM 1070 N SER A 66 -1.768 -8.836 -3.611 1.00 0.00 N ATOM 1071 CA SER A 66 -1.369 -10.059 -2.880 1.00 0.00 C ATOM 1072 C SER A 66 -2.576 -11.024 -2.723 1.00 0.00 C ATOM 1073 O SER A 66 -3.734 -10.608 -2.784 1.00 0.00 O ATOM 1074 CB SER A 66 -0.701 -9.755 -1.510 1.00 0.00 C ATOM 1075 OG SER A 66 0.452 -8.941 -1.657 1.00 0.00 O ATOM 0 H SER A 66 -1.499 -8.855 -4.595 1.00 0.00 H new ATOM 0 HA SER A 66 -0.608 -10.554 -3.483 1.00 0.00 H new ATOM 0 HB2 SER A 66 -1.418 -9.256 -0.858 1.00 0.00 H new ATOM 0 HB3 SER A 66 -0.426 -10.691 -1.024 1.00 0.00 H new ATOM 0 HG SER A 66 0.278 -8.245 -2.324 1.00 0.00 H new ATOM 1081 N PRO A 67 -2.326 -12.341 -2.543 1.00 0.00 N ATOM 1082 CA PRO A 67 -3.399 -13.332 -2.390 1.00 0.00 C ATOM 1083 C PRO A 67 -4.174 -13.167 -1.075 1.00 0.00 C ATOM 1084 O PRO A 67 -5.285 -13.676 -0.924 1.00 0.00 O ATOM 1085 CB PRO A 67 -2.665 -14.682 -2.415 1.00 0.00 C ATOM 1086 CG PRO A 67 -1.261 -14.370 -2.033 1.00 0.00 C ATOM 1087 CD PRO A 67 -0.989 -12.977 -2.523 1.00 0.00 C ATOM 0 HA PRO A 67 -4.149 -13.230 -3.175 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -3.115 -15.388 -1.717 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -2.712 -15.138 -3.404 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -1.129 -14.435 -0.953 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -0.569 -15.082 -2.482 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -0.304 -12.447 -1.861 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -0.534 -12.983 -3.514 1.00 0.00 H new ATOM 1095 N LEU A 68 -3.590 -12.415 -0.155 1.00 0.00 N ATOM 1096 CA LEU A 68 -4.134 -12.207 1.182 1.00 0.00 C ATOM 1097 C LEU A 68 -5.500 -11.504 1.092 1.00 0.00 C ATOM 1098 O LEU A 68 -6.419 -11.798 1.863 1.00 0.00 O ATOM 1099 CB LEU A 68 -3.131 -11.376 2.016 1.00 0.00 C ATOM 1100 CG LEU A 68 -3.098 -11.606 3.552 1.00 0.00 C ATOM 1101 CD1 LEU A 68 -4.416 -11.257 4.231 1.00 0.00 C ATOM 1102 CD2 LEU A 68 -2.702 -13.045 3.858 1.00 0.00 C ATOM 0 H LEU A 68 -2.711 -11.924 -0.317 1.00 0.00 H new ATOM 0 HA LEU A 68 -4.285 -13.168 1.674 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.131 -11.570 1.627 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -3.343 -10.321 1.840 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.349 -10.928 3.961 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.332 -11.438 5.303 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.648 -10.206 4.057 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -5.213 -11.877 3.819 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.682 -13.195 4.937 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.427 -13.725 3.410 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.713 -13.246 3.445 1.00 0.00 H new ATOM 1114 N SER A 69 -5.649 -10.643 0.113 1.00 0.00 N ATOM 1115 CA SER A 69 -6.878 -9.906 -0.100 1.00 0.00 C ATOM 1116 C SER A 69 -8.062 -10.860 -0.354 1.00 0.00 C ATOM 1117 O SER A 69 -9.207 -10.580 0.012 1.00 0.00 O ATOM 1118 CB SER A 69 -6.672 -9.019 -1.297 1.00 0.00 C ATOM 1119 OG SER A 69 -5.425 -8.382 -1.215 1.00 0.00 O ATOM 0 H SER A 69 -4.917 -10.431 -0.565 1.00 0.00 H new ATOM 0 HA SER A 69 -7.115 -9.319 0.788 1.00 0.00 H new ATOM 0 HB2 SER A 69 -6.728 -9.610 -2.211 1.00 0.00 H new ATOM 0 HB3 SER A 69 -7.467 -8.275 -1.349 1.00 0.00 H new ATOM 0 HG SER A 69 -5.364 -7.891 -0.369 1.00 0.00 H new ATOM 1125 N LYS A 70 -7.766 -12.010 -0.922 1.00 0.00 N ATOM 1126 CA LYS A 70 -8.786 -12.975 -1.254 1.00 0.00 C ATOM 1127 C LYS A 70 -9.102 -13.841 -0.044 1.00 0.00 C ATOM 1128 O LYS A 70 -10.139 -14.495 0.003 1.00 0.00 O ATOM 1129 CB LYS A 70 -8.374 -13.883 -2.446 1.00 0.00 C ATOM 1130 CG LYS A 70 -8.107 -13.178 -3.793 1.00 0.00 C ATOM 1131 CD LYS A 70 -6.816 -12.371 -3.787 1.00 0.00 C ATOM 1132 CE LYS A 70 -6.529 -11.698 -5.125 1.00 0.00 C ATOM 1133 NZ LYS A 70 -6.408 -12.654 -6.245 1.00 0.00 N ATOM 0 H LYS A 70 -6.818 -12.298 -1.164 1.00 0.00 H new ATOM 0 HA LYS A 70 -9.671 -12.414 -1.553 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -7.474 -14.429 -2.163 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -9.160 -14.622 -2.599 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -8.061 -13.924 -4.586 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -8.943 -12.518 -4.025 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -6.873 -11.610 -3.009 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -5.985 -13.028 -3.531 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -7.327 -10.989 -5.346 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -5.606 -11.124 -5.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -6.065 -12.156 -7.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -5.736 -13.405 -5.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -7.338 -13.074 -6.445 1.00 0.00 H new ATOM 1147 N VAL A 71 -8.229 -13.827 0.947 1.00 0.00 N ATOM 1148 CA VAL A 71 -8.422 -14.680 2.096 1.00 0.00 C ATOM 1149 C VAL A 71 -9.243 -13.969 3.167 1.00 0.00 C ATOM 1150 O VAL A 71 -10.198 -14.538 3.704 1.00 0.00 O ATOM 1151 CB VAL A 71 -7.071 -15.254 2.680 1.00 0.00 C ATOM 1152 CG1 VAL A 71 -6.181 -15.721 1.574 1.00 0.00 C ATOM 1153 CG2 VAL A 71 -6.321 -14.293 3.574 1.00 0.00 C ATOM 0 H VAL A 71 -7.393 -13.243 0.977 1.00 0.00 H new ATOM 0 HA VAL A 71 -8.985 -15.547 1.751 1.00 0.00 H new ATOM 0 HB VAL A 71 -7.360 -16.093 3.313 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -5.255 -16.113 1.993 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -6.684 -16.505 1.009 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -5.954 -14.885 0.912 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -5.407 -14.767 3.931 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -6.068 -13.394 3.011 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -6.947 -14.024 4.425 1.00 0.00 H new ATOM 1163 N ASN A 72 -8.922 -12.708 3.440 1.00 0.00 N ATOM 1164 CA ASN A 72 -9.640 -11.995 4.514 1.00 0.00 C ATOM 1165 C ASN A 72 -9.657 -10.479 4.276 1.00 0.00 C ATOM 1166 O ASN A 72 -9.798 -9.675 5.209 1.00 0.00 O ATOM 1167 CB ASN A 72 -9.011 -12.336 5.884 1.00 0.00 C ATOM 1168 CG ASN A 72 -9.922 -11.994 7.059 1.00 0.00 C ATOM 1169 OD1 ASN A 72 -11.146 -12.020 6.937 1.00 0.00 O ATOM 1170 ND2 ASN A 72 -9.344 -11.704 8.192 1.00 0.00 N ATOM 0 H ASN A 72 -8.201 -12.169 2.960 1.00 0.00 H new ATOM 0 HA ASN A 72 -10.678 -12.329 4.510 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -8.772 -13.399 5.914 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -8.071 -11.795 5.991 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -9.910 -11.489 9.013 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -8.326 -11.692 8.257 1.00 0.00 H new ATOM 1177 N GLY A 73 -9.560 -10.099 3.029 1.00 0.00 N ATOM 1178 CA GLY A 73 -9.618 -8.702 2.690 1.00 0.00 C ATOM 1179 C GLY A 73 -11.054 -8.239 2.557 1.00 0.00 C ATOM 1180 O GLY A 73 -11.930 -9.032 2.168 1.00 0.00 O ATOM 0 H GLY A 73 -9.441 -10.731 2.237 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -9.112 -8.116 3.457 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -9.087 -8.528 1.754 1.00 0.00 H new ATOM 1184 N TYR A 74 -11.282 -6.973 2.827 1.00 0.00 N ATOM 1185 CA TYR A 74 -12.564 -6.354 2.825 1.00 0.00 C ATOM 1186 C TYR A 74 -12.360 -4.901 2.681 1.00 0.00 C ATOM 1187 O TYR A 74 -11.668 -4.276 3.478 1.00 0.00 O ATOM 1188 CB TYR A 74 -13.348 -6.616 4.116 1.00 0.00 C ATOM 1189 CG TYR A 74 -14.061 -7.946 4.185 1.00 0.00 C ATOM 1190 CD1 TYR A 74 -15.046 -8.255 3.279 1.00 0.00 C ATOM 1191 CD2 TYR A 74 -13.773 -8.865 5.158 1.00 0.00 C ATOM 1192 CE1 TYR A 74 -15.728 -9.436 3.330 1.00 0.00 C ATOM 1193 CE2 TYR A 74 -14.451 -10.054 5.236 1.00 0.00 C ATOM 1194 CZ TYR A 74 -15.428 -10.341 4.318 1.00 0.00 C ATOM 1195 OH TYR A 74 -16.122 -11.532 4.404 1.00 0.00 O ATOM 0 H TYR A 74 -10.531 -6.325 3.065 1.00 0.00 H new ATOM 0 HA TYR A 74 -13.145 -6.772 2.003 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -12.660 -6.548 4.959 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -14.084 -5.822 4.241 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -15.288 -7.543 2.504 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -12.997 -8.649 5.878 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -16.495 -9.656 2.602 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -14.216 -10.762 6.017 1.00 0.00 H new ATOM 0 HH TYR A 74 -15.782 -12.055 5.160 1.00 0.00 H new ATOM 1205 N ILE A 75 -12.882 -4.378 1.640 1.00 0.00 N ATOM 1206 CA ILE A 75 -12.892 -2.971 1.444 1.00 0.00 C ATOM 1207 C ILE A 75 -13.962 -2.442 2.344 1.00 0.00 C ATOM 1208 O ILE A 75 -15.143 -2.710 2.141 1.00 0.00 O ATOM 1209 CB ILE A 75 -13.186 -2.654 -0.007 1.00 0.00 C ATOM 1210 CG1 ILE A 75 -12.032 -3.130 -0.861 1.00 0.00 C ATOM 1211 CG2 ILE A 75 -13.459 -1.156 -0.224 1.00 0.00 C ATOM 1212 CD1 ILE A 75 -12.292 -3.071 -2.365 1.00 0.00 C ATOM 0 H ILE A 75 -13.320 -4.913 0.890 1.00 0.00 H new ATOM 0 HA ILE A 75 -11.929 -2.516 1.677 1.00 0.00 H new ATOM 0 HB ILE A 75 -14.095 -3.178 -0.302 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -11.154 -2.526 -0.633 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -11.792 -4.157 -0.586 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -13.665 -0.973 -1.279 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -14.320 -0.853 0.372 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -12.586 -0.579 0.080 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -11.413 -3.430 -2.901 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -13.149 -3.699 -2.611 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -12.500 -2.042 -2.658 1.00 0.00 H new ATOM 1224 N GLY A 76 -13.532 -1.766 3.337 1.00 0.00 N ATOM 1225 CA GLY A 76 -14.377 -1.342 4.393 1.00 0.00 C ATOM 1226 C GLY A 76 -14.615 0.116 4.372 1.00 0.00 C ATOM 1227 O GLY A 76 -13.719 0.947 4.636 1.00 0.00 O ATOM 0 H GLY A 76 -12.558 -1.482 3.446 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -15.331 -1.864 4.323 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -13.930 -1.621 5.347 1.00 0.00 H new ATOM 1231 N VAL A 77 -15.783 0.452 4.077 1.00 0.00 N ATOM 1232 CA VAL A 77 -16.122 1.802 4.005 1.00 0.00 C ATOM 1233 C VAL A 77 -17.029 2.153 5.137 1.00 0.00 C ATOM 1234 O VAL A 77 -18.031 1.491 5.380 1.00 0.00 O ATOM 1235 CB VAL A 77 -16.699 2.176 2.639 1.00 0.00 C ATOM 1236 CG1 VAL A 77 -17.058 3.634 2.558 1.00 0.00 C ATOM 1237 CG2 VAL A 77 -15.734 1.790 1.528 1.00 0.00 C ATOM 0 H VAL A 77 -16.543 -0.198 3.876 1.00 0.00 H new ATOM 0 HA VAL A 77 -15.216 2.399 4.106 1.00 0.00 H new ATOM 0 HB VAL A 77 -17.623 1.613 2.509 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -17.464 3.854 1.571 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -17.804 3.868 3.317 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -16.167 4.238 2.727 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -16.161 2.064 0.563 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -14.789 2.315 1.668 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -15.559 0.714 1.555 1.00 0.00 H new ATOM 1247 N SER A 78 -16.649 3.161 5.854 1.00 0.00 N ATOM 1248 CA SER A 78 -17.382 3.582 7.001 1.00 0.00 C ATOM 1249 C SER A 78 -18.339 4.677 6.559 1.00 0.00 C ATOM 1250 O SER A 78 -18.192 5.167 5.441 1.00 0.00 O ATOM 1251 CB SER A 78 -16.397 4.076 8.042 1.00 0.00 C ATOM 1252 OG SER A 78 -15.348 3.132 8.207 1.00 0.00 O ATOM 0 H SER A 78 -15.817 3.717 5.658 1.00 0.00 H new ATOM 0 HA SER A 78 -17.960 2.770 7.443 1.00 0.00 H new ATOM 0 HB2 SER A 78 -15.986 5.039 7.738 1.00 0.00 H new ATOM 0 HB3 SER A 78 -16.908 4.234 8.992 1.00 0.00 H new ATOM 0 HG SER A 78 -14.716 3.460 8.880 1.00 0.00 H new ATOM 1258 N ASP A 79 -19.271 5.085 7.429 1.00 0.00 N ATOM 1259 CA ASP A 79 -20.347 6.059 7.084 1.00 0.00 C ATOM 1260 C ASP A 79 -19.832 7.348 6.450 1.00 0.00 C ATOM 1261 O ASP A 79 -20.475 7.912 5.577 1.00 0.00 O ATOM 1262 CB ASP A 79 -21.222 6.375 8.293 1.00 0.00 C ATOM 1263 CG ASP A 79 -22.325 7.371 7.983 1.00 0.00 C ATOM 1264 OD1 ASP A 79 -23.319 6.996 7.334 1.00 0.00 O ATOM 1265 OD2 ASP A 79 -22.238 8.530 8.425 1.00 0.00 O ATOM 0 H ASP A 79 -19.312 4.757 8.394 1.00 0.00 H new ATOM 0 HA ASP A 79 -20.952 5.562 6.326 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -21.667 5.452 8.663 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -20.597 6.771 9.093 1.00 0.00 H new ATOM 1270 N ASN A 80 -18.638 7.772 6.831 1.00 0.00 N ATOM 1271 CA ASN A 80 -18.039 8.988 6.265 1.00 0.00 C ATOM 1272 C ASN A 80 -17.390 8.694 4.918 1.00 0.00 C ATOM 1273 O ASN A 80 -16.598 9.485 4.420 1.00 0.00 O ATOM 1274 CB ASN A 80 -16.983 9.629 7.201 1.00 0.00 C ATOM 1275 CG ASN A 80 -17.517 10.250 8.472 1.00 0.00 C ATOM 1276 OD1 ASN A 80 -17.048 11.306 8.904 1.00 0.00 O ATOM 1277 ND2 ASN A 80 -18.385 9.576 9.133 1.00 0.00 N ATOM 0 H ASN A 80 -18.060 7.300 7.526 1.00 0.00 H new ATOM 0 HA ASN A 80 -18.857 9.698 6.142 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -16.254 8.865 7.471 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -16.448 10.396 6.642 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -18.706 9.910 10.042 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -18.755 8.706 8.750 1.00 0.00 H new ATOM 1284 N GLY A 81 -17.715 7.544 4.344 1.00 0.00 N ATOM 1285 CA GLY A 81 -17.198 7.141 3.076 1.00 0.00 C ATOM 1286 C GLY A 81 -15.760 6.871 3.170 1.00 0.00 C ATOM 1287 O GLY A 81 -15.012 7.176 2.280 1.00 0.00 O ATOM 0 H GLY A 81 -18.354 6.868 4.763 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -17.720 6.248 2.731 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -17.380 7.922 2.338 1.00 0.00 H new ATOM 1291 N VAL A 82 -15.383 6.328 4.281 1.00 0.00 N ATOM 1292 CA VAL A 82 -14.014 6.032 4.557 1.00 0.00 C ATOM 1293 C VAL A 82 -13.635 4.784 3.752 1.00 0.00 C ATOM 1294 O VAL A 82 -14.021 3.707 4.090 1.00 0.00 O ATOM 1295 CB VAL A 82 -13.815 5.815 6.083 1.00 0.00 C ATOM 1296 CG1 VAL A 82 -12.343 5.768 6.444 1.00 0.00 C ATOM 1297 CG2 VAL A 82 -14.541 6.909 6.881 1.00 0.00 C ATOM 0 H VAL A 82 -16.024 6.074 5.032 1.00 0.00 H new ATOM 0 HA VAL A 82 -13.367 6.859 4.265 1.00 0.00 H new ATOM 0 HB VAL A 82 -14.250 4.851 6.347 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -12.236 5.615 7.518 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -11.864 4.947 5.911 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -11.869 6.708 6.163 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -14.391 6.742 7.948 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -14.141 7.885 6.607 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -15.607 6.877 6.655 1.00 0.00 H new ATOM 1307 N ILE A 83 -12.851 4.998 2.721 1.00 0.00 N ATOM 1308 CA ILE A 83 -12.485 4.029 1.636 1.00 0.00 C ATOM 1309 C ILE A 83 -11.356 3.073 2.058 1.00 0.00 C ATOM 1310 O ILE A 83 -10.464 2.747 1.297 1.00 0.00 O ATOM 1311 CB ILE A 83 -12.172 4.781 0.273 1.00 0.00 C ATOM 1312 CG1 ILE A 83 -13.330 5.726 -0.054 1.00 0.00 C ATOM 1313 CG2 ILE A 83 -11.990 3.803 -0.908 1.00 0.00 C ATOM 1314 CD1 ILE A 83 -14.675 5.034 -0.057 1.00 0.00 C ATOM 0 H ILE A 83 -12.406 5.905 2.580 1.00 0.00 H new ATOM 0 HA ILE A 83 -13.356 3.398 1.460 1.00 0.00 H new ATOM 0 HB ILE A 83 -11.238 5.327 0.407 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -13.347 6.537 0.674 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -13.158 6.178 -1.031 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -11.778 4.366 -1.817 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -11.160 3.128 -0.697 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -12.903 3.224 -1.045 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -15.455 5.757 -0.295 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -14.674 4.241 -0.805 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -14.866 4.605 0.927 1.00 0.00 H new ATOM 1326 N SER A 84 -11.361 2.694 3.282 1.00 0.00 N ATOM 1327 CA SER A 84 -10.198 2.002 3.825 1.00 0.00 C ATOM 1328 C SER A 84 -10.385 0.490 3.729 1.00 0.00 C ATOM 1329 O SER A 84 -11.476 0.018 3.711 1.00 0.00 O ATOM 1330 CB SER A 84 -10.059 2.435 5.260 1.00 0.00 C ATOM 1331 OG SER A 84 -10.136 3.850 5.309 1.00 0.00 O ATOM 0 H SER A 84 -12.131 2.836 3.936 1.00 0.00 H new ATOM 0 HA SER A 84 -9.298 2.250 3.262 1.00 0.00 H new ATOM 0 HB2 SER A 84 -10.847 1.991 5.868 1.00 0.00 H new ATOM 0 HB3 SER A 84 -9.109 2.092 5.669 1.00 0.00 H new ATOM 0 HG SER A 84 -10.033 4.151 6.236 1.00 0.00 H new ATOM 1337 N THR A 85 -9.343 -0.260 3.578 1.00 0.00 N ATOM 1338 CA THR A 85 -9.523 -1.680 3.591 1.00 0.00 C ATOM 1339 C THR A 85 -9.306 -2.180 5.005 1.00 0.00 C ATOM 1340 O THR A 85 -8.550 -1.564 5.782 1.00 0.00 O ATOM 1341 CB THR A 85 -8.600 -2.405 2.594 1.00 0.00 C ATOM 1342 OG1 THR A 85 -7.248 -2.225 2.969 1.00 0.00 O ATOM 1343 CG2 THR A 85 -8.808 -1.853 1.189 1.00 0.00 C ATOM 0 H THR A 85 -8.386 0.069 3.448 1.00 0.00 H new ATOM 0 HA THR A 85 -10.539 -1.904 3.267 1.00 0.00 H new ATOM 0 HB THR A 85 -8.843 -3.467 2.605 1.00 0.00 H new ATOM 0 HG1 THR A 85 -6.675 -2.317 2.180 1.00 0.00 H new ATOM 0 HG21 THR A 85 -8.150 -2.373 0.493 1.00 0.00 H new ATOM 0 HG22 THR A 85 -9.845 -2.003 0.889 1.00 0.00 H new ATOM 0 HG23 THR A 85 -8.578 -0.788 1.179 1.00 0.00 H new ATOM 1351 N PHE A 86 -9.993 -3.223 5.371 1.00 0.00 N ATOM 1352 CA PHE A 86 -9.903 -3.782 6.695 1.00 0.00 C ATOM 1353 C PHE A 86 -9.540 -5.231 6.608 1.00 0.00 C ATOM 1354 O PHE A 86 -9.756 -5.879 5.571 1.00 0.00 O ATOM 1355 CB PHE A 86 -11.231 -3.664 7.447 1.00 0.00 C ATOM 1356 CG PHE A 86 -11.637 -2.280 7.860 1.00 0.00 C ATOM 1357 CD1 PHE A 86 -11.847 -1.293 6.925 1.00 0.00 C ATOM 1358 CD2 PHE A 86 -11.858 -1.994 9.190 1.00 0.00 C ATOM 1359 CE1 PHE A 86 -12.270 -0.037 7.306 1.00 0.00 C ATOM 1360 CE2 PHE A 86 -12.275 -0.741 9.586 1.00 0.00 C ATOM 1361 CZ PHE A 86 -12.485 0.242 8.640 1.00 0.00 C ATOM 0 H PHE A 86 -10.639 -3.717 4.755 1.00 0.00 H new ATOM 0 HA PHE A 86 -9.139 -3.223 7.235 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -12.019 -4.079 6.818 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -11.175 -4.286 8.340 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -11.678 -1.504 5.879 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -11.702 -2.762 9.933 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -12.433 0.728 6.561 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -12.437 -0.529 10.633 1.00 0.00 H new ATOM 0 HZ PHE A 86 -12.816 1.225 8.943 1.00 0.00 H new ATOM 1371 N HIS A 87 -8.968 -5.726 7.669 1.00 0.00 N ATOM 1372 CA HIS A 87 -8.655 -7.116 7.770 1.00 0.00 C ATOM 1373 C HIS A 87 -9.821 -7.763 8.490 1.00 0.00 C ATOM 1374 O HIS A 87 -9.974 -7.620 9.719 1.00 0.00 O ATOM 1375 CB HIS A 87 -7.335 -7.316 8.542 1.00 0.00 C ATOM 1376 CG HIS A 87 -6.858 -8.738 8.605 1.00 0.00 C ATOM 1377 ND1 HIS A 87 -5.926 -9.274 7.747 1.00 0.00 N ATOM 1378 CD2 HIS A 87 -7.205 -9.734 9.443 1.00 0.00 C ATOM 1379 CE1 HIS A 87 -5.746 -10.549 8.075 1.00 0.00 C ATOM 1380 NE2 HIS A 87 -6.504 -10.884 9.107 1.00 0.00 N ATOM 0 H HIS A 87 -8.707 -5.174 8.486 1.00 0.00 H new ATOM 0 HA HIS A 87 -8.511 -7.568 6.788 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -6.561 -6.707 8.076 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -7.464 -6.944 9.559 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -7.917 -9.651 10.250 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -5.071 -11.222 7.567 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -6.561 -11.796 9.560 1.00 0.00 H new ATOM 1388 N GLY A 88 -10.651 -8.417 7.735 1.00 0.00 N ATOM 1389 CA GLY A 88 -11.862 -8.970 8.266 1.00 0.00 C ATOM 1390 C GLY A 88 -12.995 -7.970 8.134 1.00 0.00 C ATOM 1391 O GLY A 88 -12.781 -6.870 7.611 1.00 0.00 O ATOM 0 H GLY A 88 -10.510 -8.582 6.738 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -12.114 -9.889 7.736 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -11.721 -9.235 9.314 1.00 0.00 H new ATOM 1395 N ARG A 89 -14.191 -8.366 8.555 1.00 0.00 N ATOM 1396 CA ARG A 89 -15.382 -7.522 8.522 1.00 0.00 C ATOM 1397 C ARG A 89 -15.141 -6.148 9.127 1.00 0.00 C ATOM 1398 O ARG A 89 -14.817 -6.030 10.305 1.00 0.00 O ATOM 1399 CB ARG A 89 -16.506 -8.215 9.253 1.00 0.00 C ATOM 1400 CG ARG A 89 -17.346 -9.108 8.391 1.00 0.00 C ATOM 1401 CD ARG A 89 -18.392 -8.268 7.684 1.00 0.00 C ATOM 1402 NE ARG A 89 -19.369 -7.699 8.631 1.00 0.00 N ATOM 1403 CZ ARG A 89 -19.636 -6.389 8.778 1.00 0.00 C ATOM 1404 NH1 ARG A 89 -18.900 -5.492 8.150 1.00 0.00 N ATOM 1405 NH2 ARG A 89 -20.620 -5.996 9.570 1.00 0.00 N ATOM 0 H ARG A 89 -14.364 -9.297 8.935 1.00 0.00 H new ATOM 0 HA ARG A 89 -15.647 -7.368 7.476 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -16.085 -8.806 10.066 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -17.148 -7.460 9.707 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -16.721 -9.624 7.662 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -17.826 -9.875 8.999 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -17.902 -7.461 7.138 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -18.913 -8.880 6.948 1.00 0.00 H new ATOM 0 HE ARG A 89 -19.884 -8.352 9.222 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -18.129 -5.792 7.553 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -19.102 -4.498 8.261 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -21.178 -6.687 10.071 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -20.820 -5.002 9.680 1.00 0.00 H new ATOM 1419 N PRO A 90 -15.291 -5.102 8.315 1.00 0.00 N ATOM 1420 CA PRO A 90 -15.089 -3.739 8.745 1.00 0.00 C ATOM 1421 C PRO A 90 -16.138 -3.292 9.741 1.00 0.00 C ATOM 1422 O PRO A 90 -17.330 -3.172 9.428 1.00 0.00 O ATOM 1423 CB PRO A 90 -15.161 -2.913 7.461 1.00 0.00 C ATOM 1424 CG PRO A 90 -15.874 -3.770 6.483 1.00 0.00 C ATOM 1425 CD PRO A 90 -15.637 -5.187 6.900 1.00 0.00 C ATOM 0 HA PRO A 90 -14.138 -3.622 9.264 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -15.694 -1.977 7.625 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -14.164 -2.654 7.104 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -16.940 -3.542 6.474 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -15.502 -3.596 5.473 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -16.525 -5.799 6.745 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -14.832 -5.641 6.322 1.00 0.00 H new ATOM 1433 N GLU A 91 -15.698 -3.116 10.934 1.00 0.00 N ATOM 1434 CA GLU A 91 -16.496 -2.652 12.009 1.00 0.00 C ATOM 1435 C GLU A 91 -15.658 -1.601 12.755 1.00 0.00 C ATOM 1436 O GLU A 91 -14.448 -1.512 12.533 1.00 0.00 O ATOM 1437 CB GLU A 91 -16.868 -3.860 12.917 1.00 0.00 C ATOM 1438 CG GLU A 91 -15.681 -4.541 13.575 1.00 0.00 C ATOM 1439 CD GLU A 91 -16.059 -5.781 14.334 1.00 0.00 C ATOM 1440 OE1 GLU A 91 -16.792 -5.679 15.337 1.00 0.00 O ATOM 1441 OE2 GLU A 91 -15.612 -6.880 13.955 1.00 0.00 O ATOM 0 H GLU A 91 -14.730 -3.299 11.199 1.00 0.00 H new ATOM 0 HA GLU A 91 -17.430 -2.201 11.676 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -17.551 -3.518 13.694 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -17.407 -4.595 12.320 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -14.948 -4.799 12.810 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -15.198 -3.839 14.255 1.00 0.00 H new ATOM 1448 N PRO A 92 -16.242 -0.785 13.630 1.00 0.00 N ATOM 1449 CA PRO A 92 -15.477 0.219 14.382 1.00 0.00 C ATOM 1450 C PRO A 92 -14.562 -0.424 15.411 1.00 0.00 C ATOM 1451 O PRO A 92 -13.650 0.208 15.937 1.00 0.00 O ATOM 1452 CB PRO A 92 -16.540 1.053 15.071 1.00 0.00 C ATOM 1453 CG PRO A 92 -17.745 0.181 15.125 1.00 0.00 C ATOM 1454 CD PRO A 92 -17.674 -0.728 13.937 1.00 0.00 C ATOM 0 HA PRO A 92 -14.826 0.803 13.731 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -16.222 1.348 16.071 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -16.742 1.970 14.517 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -17.765 -0.394 16.051 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -18.656 0.779 15.101 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -18.075 -1.716 14.164 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -18.248 -0.336 13.098 1.00 0.00 H new ATOM 1462 N ALA A 93 -14.810 -1.679 15.683 1.00 0.00 N ATOM 1463 CA ALA A 93 -14.008 -2.421 16.604 1.00 0.00 C ATOM 1464 C ALA A 93 -12.829 -3.061 15.884 1.00 0.00 C ATOM 1465 O ALA A 93 -11.978 -3.671 16.512 1.00 0.00 O ATOM 1466 CB ALA A 93 -14.850 -3.457 17.323 1.00 0.00 C ATOM 0 H ALA A 93 -15.576 -2.210 15.269 1.00 0.00 H new ATOM 0 HA ALA A 93 -13.609 -1.739 17.355 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -14.224 -4.014 18.021 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -15.650 -2.959 17.871 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -15.282 -4.144 16.595 1.00 0.00 H new ATOM 1472 N SER A 94 -12.783 -2.921 14.565 1.00 0.00 N ATOM 1473 CA SER A 94 -11.681 -3.449 13.812 1.00 0.00 C ATOM 1474 C SER A 94 -10.788 -2.309 13.344 1.00 0.00 C ATOM 1475 O SER A 94 -11.142 -1.121 13.507 1.00 0.00 O ATOM 1476 CB SER A 94 -12.173 -4.303 12.641 1.00 0.00 C ATOM 1477 OG SER A 94 -13.076 -3.600 11.810 1.00 0.00 O ATOM 0 H SER A 94 -13.496 -2.448 14.009 1.00 0.00 H new ATOM 0 HA SER A 94 -11.092 -4.104 14.454 1.00 0.00 H new ATOM 0 HB2 SER A 94 -11.319 -4.632 12.050 1.00 0.00 H new ATOM 0 HB3 SER A 94 -12.659 -5.200 13.026 1.00 0.00 H new ATOM 0 HG SER A 94 -13.210 -2.696 12.164 1.00 0.00 H new ATOM 1483 N GLU A 95 -9.665 -2.630 12.779 1.00 0.00 N ATOM 1484 CA GLU A 95 -8.740 -1.621 12.361 1.00 0.00 C ATOM 1485 C GLU A 95 -8.597 -1.604 10.853 1.00 0.00 C ATOM 1486 O GLU A 95 -8.490 -2.665 10.220 1.00 0.00 O ATOM 1487 CB GLU A 95 -7.380 -1.873 12.982 1.00 0.00 C ATOM 1488 CG GLU A 95 -7.389 -1.922 14.490 1.00 0.00 C ATOM 1489 CD GLU A 95 -6.035 -2.223 15.034 1.00 0.00 C ATOM 1490 OE1 GLU A 95 -5.643 -3.413 15.053 1.00 0.00 O ATOM 1491 OE2 GLU A 95 -5.327 -1.278 15.450 1.00 0.00 O ATOM 0 H GLU A 95 -9.365 -3.588 12.596 1.00 0.00 H new ATOM 0 HA GLU A 95 -9.127 -0.657 12.690 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -6.988 -2.816 12.601 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -6.695 -1.089 12.659 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -7.737 -0.967 14.884 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -8.095 -2.682 14.826 1.00 0.00 H new ATOM 1498 N PRO A 96 -8.654 -0.411 10.240 1.00 0.00 N ATOM 1499 CA PRO A 96 -8.331 -0.255 8.843 1.00 0.00 C ATOM 1500 C PRO A 96 -6.848 -0.556 8.636 1.00 0.00 C ATOM 1501 O PRO A 96 -6.017 -0.318 9.526 1.00 0.00 O ATOM 1502 CB PRO A 96 -8.607 1.229 8.551 1.00 0.00 C ATOM 1503 CG PRO A 96 -9.448 1.702 9.678 1.00 0.00 C ATOM 1504 CD PRO A 96 -9.080 0.858 10.852 1.00 0.00 C ATOM 0 HA PRO A 96 -8.903 -0.920 8.195 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -7.678 1.796 8.488 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -9.121 1.353 7.598 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -9.266 2.757 9.884 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -10.508 1.601 9.443 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -8.279 1.311 11.437 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -9.925 0.716 11.525 1.00 0.00 H new ATOM 1512 N ILE A 97 -6.524 -1.081 7.507 1.00 0.00 N ATOM 1513 CA ILE A 97 -5.161 -1.441 7.176 1.00 0.00 C ATOM 1514 C ILE A 97 -4.405 -0.173 6.741 1.00 0.00 C ATOM 1515 O ILE A 97 -3.185 -0.049 6.901 1.00 0.00 O ATOM 1516 CB ILE A 97 -5.184 -2.479 6.027 1.00 0.00 C ATOM 1517 CG1 ILE A 97 -6.107 -3.644 6.409 1.00 0.00 C ATOM 1518 CG2 ILE A 97 -3.776 -2.994 5.737 1.00 0.00 C ATOM 1519 CD1 ILE A 97 -6.476 -4.541 5.254 1.00 0.00 C ATOM 0 H ILE A 97 -7.196 -1.281 6.767 1.00 0.00 H new ATOM 0 HA ILE A 97 -4.657 -1.877 8.039 1.00 0.00 H new ATOM 0 HB ILE A 97 -5.562 -1.999 5.124 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -5.620 -4.242 7.179 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -7.020 -3.241 6.849 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -3.815 -3.722 4.927 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -3.137 -2.161 5.446 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -3.370 -3.467 6.631 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -7.130 -5.339 5.607 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -6.994 -3.958 4.492 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -5.572 -4.975 4.827 1.00 0.00 H new ATOM 1531 N GLN A 98 -5.163 0.759 6.214 1.00 0.00 N ATOM 1532 CA GLN A 98 -4.693 2.043 5.752 1.00 0.00 C ATOM 1533 C GLN A 98 -5.961 2.840 5.544 1.00 0.00 C ATOM 1534 O GLN A 98 -7.034 2.315 5.840 1.00 0.00 O ATOM 1535 CB GLN A 98 -3.920 1.908 4.384 1.00 0.00 C ATOM 1536 CG GLN A 98 -4.810 1.879 3.114 1.00 0.00 C ATOM 1537 CD GLN A 98 -5.833 0.760 3.086 1.00 0.00 C ATOM 1538 OE1 GLN A 98 -6.923 0.918 2.581 1.00 0.00 O ATOM 1539 NE2 GLN A 98 -5.486 -0.359 3.595 1.00 0.00 N ATOM 0 H GLN A 98 -6.168 0.637 6.090 1.00 0.00 H new ATOM 0 HA GLN A 98 -4.000 2.504 6.456 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -3.221 2.740 4.298 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -3.326 0.995 4.411 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -5.331 2.832 3.030 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -4.168 1.788 2.238 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -4.562 -0.464 4.014 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -6.133 -1.147 3.583 1.00 0.00 H new ATOM 1548 N SER A 99 -5.878 4.037 5.047 1.00 0.00 N ATOM 1549 CA SER A 99 -7.061 4.739 4.683 1.00 0.00 C ATOM 1550 C SER A 99 -6.833 5.408 3.324 1.00 0.00 C ATOM 1551 O SER A 99 -5.735 5.916 3.052 1.00 0.00 O ATOM 1552 CB SER A 99 -7.463 5.757 5.767 1.00 0.00 C ATOM 1553 OG SER A 99 -8.748 6.290 5.508 1.00 0.00 O ATOM 0 H SER A 99 -5.006 4.542 4.887 1.00 0.00 H new ATOM 0 HA SER A 99 -7.893 4.040 4.599 1.00 0.00 H new ATOM 0 HB2 SER A 99 -7.455 5.275 6.745 1.00 0.00 H new ATOM 0 HB3 SER A 99 -6.731 6.564 5.803 1.00 0.00 H new ATOM 0 HG SER A 99 -9.359 5.565 5.262 1.00 0.00 H new ATOM 1559 N PHE A 100 -7.812 5.333 2.443 1.00 0.00 N ATOM 1560 CA PHE A 100 -7.704 5.967 1.141 1.00 0.00 C ATOM 1561 C PHE A 100 -8.312 7.359 1.123 1.00 0.00 C ATOM 1562 O PHE A 100 -7.596 8.356 1.133 1.00 0.00 O ATOM 1563 CB PHE A 100 -8.316 5.116 0.012 1.00 0.00 C ATOM 1564 CG PHE A 100 -7.460 3.980 -0.488 1.00 0.00 C ATOM 1565 CD1 PHE A 100 -7.518 2.730 0.089 1.00 0.00 C ATOM 1566 CD2 PHE A 100 -6.608 4.173 -1.562 1.00 0.00 C ATOM 1567 CE1 PHE A 100 -6.743 1.690 -0.394 1.00 0.00 C ATOM 1568 CE2 PHE A 100 -5.831 3.140 -2.047 1.00 0.00 C ATOM 1569 CZ PHE A 100 -5.899 1.896 -1.461 1.00 0.00 C ATOM 0 H PHE A 100 -8.691 4.840 2.604 1.00 0.00 H new ATOM 0 HA PHE A 100 -6.634 6.056 0.955 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -9.263 4.706 0.364 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -8.545 5.771 -0.828 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -8.176 2.560 0.928 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -6.550 5.146 -2.027 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -6.801 0.715 0.067 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -5.171 3.308 -2.885 1.00 0.00 H new ATOM 0 HZ PHE A 100 -5.293 1.085 -1.837 1.00 0.00 H new ATOM 1579 N PHE A 101 -9.624 7.433 1.146 1.00 0.00 N ATOM 1580 CA PHE A 101 -10.303 8.691 0.943 1.00 0.00 C ATOM 1581 C PHE A 101 -11.644 8.636 1.682 1.00 0.00 C ATOM 1582 O PHE A 101 -11.964 7.594 2.277 1.00 0.00 O ATOM 1583 CB PHE A 101 -10.513 8.845 -0.582 1.00 0.00 C ATOM 1584 CG PHE A 101 -10.737 10.240 -1.077 1.00 0.00 C ATOM 1585 CD1 PHE A 101 -9.668 11.108 -1.206 1.00 0.00 C ATOM 1586 CD2 PHE A 101 -11.996 10.676 -1.445 1.00 0.00 C ATOM 1587 CE1 PHE A 101 -9.851 12.383 -1.685 1.00 0.00 C ATOM 1588 CE2 PHE A 101 -12.184 11.955 -1.920 1.00 0.00 C ATOM 1589 CZ PHE A 101 -11.111 12.808 -2.041 1.00 0.00 C ATOM 0 H PHE A 101 -10.241 6.636 1.303 1.00 0.00 H new ATOM 0 HA PHE A 101 -9.735 9.540 1.324 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -9.641 8.436 -1.092 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -11.368 8.236 -0.874 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -8.678 10.780 -0.927 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -12.840 10.008 -1.359 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -9.008 13.051 -1.782 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -13.173 12.288 -2.197 1.00 0.00 H new ATOM 0 HZ PHE A 101 -11.257 13.811 -2.415 1.00 0.00 H new ATOM 1599 N GLN A 102 -12.395 9.731 1.673 1.00 0.00 N ATOM 1600 CA GLN A 102 -13.719 9.802 2.274 1.00 0.00 C ATOM 1601 C GLN A 102 -14.742 10.411 1.320 1.00 0.00 C ATOM 1602 O GLN A 102 -14.442 11.380 0.617 1.00 0.00 O ATOM 1603 CB GLN A 102 -13.700 10.534 3.605 1.00 0.00 C ATOM 1604 CG GLN A 102 -13.288 9.648 4.765 1.00 0.00 C ATOM 1605 CD GLN A 102 -13.246 10.370 6.092 1.00 0.00 C ATOM 1606 OE1 GLN A 102 -12.467 10.026 6.969 1.00 0.00 O ATOM 1607 NE2 GLN A 102 -14.090 11.351 6.265 1.00 0.00 N ATOM 0 H GLN A 102 -12.096 10.606 1.242 1.00 0.00 H new ATOM 0 HA GLN A 102 -14.029 8.776 2.474 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -13.014 11.378 3.539 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -14.691 10.943 3.802 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -13.983 8.812 4.838 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -12.304 9.227 4.558 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -14.727 11.614 5.513 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -14.112 11.854 7.152 1.00 0.00 H new ATOM 1616 N ILE A 103 -15.929 9.819 1.292 1.00 0.00 N ATOM 1617 CA ILE A 103 -17.021 10.206 0.371 1.00 0.00 C ATOM 1618 C ILE A 103 -18.370 10.123 1.115 1.00 0.00 C ATOM 1619 O ILE A 103 -18.431 9.610 2.226 1.00 0.00 O ATOM 1620 CB ILE A 103 -17.081 9.255 -0.885 1.00 0.00 C ATOM 1621 CG1 ILE A 103 -17.471 7.833 -0.461 1.00 0.00 C ATOM 1622 CG2 ILE A 103 -15.738 9.233 -1.606 1.00 0.00 C ATOM 1623 CD1 ILE A 103 -17.625 6.879 -1.610 1.00 0.00 C ATOM 0 H ILE A 103 -16.176 9.046 1.910 1.00 0.00 H new ATOM 0 HA ILE A 103 -16.828 11.223 0.030 1.00 0.00 H new ATOM 0 HB ILE A 103 -17.838 9.640 -1.568 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -16.714 7.447 0.221 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -18.408 7.873 0.094 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -15.800 8.571 -2.470 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -15.487 10.240 -1.938 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -14.966 8.872 -0.926 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -17.901 5.895 -1.231 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -18.403 7.241 -2.282 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -16.682 6.807 -2.152 1.00 0.00 H new ATOM 1635 N ASP A 104 -19.425 10.628 0.534 1.00 0.00 N ATOM 1636 CA ASP A 104 -20.731 10.532 1.162 1.00 0.00 C ATOM 1637 C ASP A 104 -21.408 9.216 0.876 1.00 0.00 C ATOM 1638 O ASP A 104 -21.811 8.923 -0.277 1.00 0.00 O ATOM 1639 CB ASP A 104 -21.665 11.678 0.767 1.00 0.00 C ATOM 1640 CG ASP A 104 -21.791 12.733 1.844 1.00 0.00 C ATOM 1641 OD1 ASP A 104 -21.764 12.384 3.052 1.00 0.00 O ATOM 1642 OD2 ASP A 104 -21.950 13.937 1.514 1.00 0.00 O ATOM 0 H ASP A 104 -19.415 11.108 -0.366 1.00 0.00 H new ATOM 0 HA ASP A 104 -20.536 10.603 2.232 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -21.296 12.142 -0.148 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -22.653 11.274 0.543 1.00 0.00 H new ATOM 1647 N LEU A 105 -21.603 8.425 1.905 1.00 0.00 N ATOM 1648 CA LEU A 105 -22.297 7.185 1.737 1.00 0.00 C ATOM 1649 C LEU A 105 -23.739 7.440 1.445 1.00 0.00 C ATOM 1650 O LEU A 105 -24.380 6.675 0.735 1.00 0.00 O ATOM 1651 CB LEU A 105 -22.165 6.234 2.910 1.00 0.00 C ATOM 1652 CG LEU A 105 -20.825 5.553 3.120 1.00 0.00 C ATOM 1653 CD1 LEU A 105 -21.039 4.301 3.943 1.00 0.00 C ATOM 1654 CD2 LEU A 105 -20.154 5.221 1.792 1.00 0.00 C ATOM 0 H LEU A 105 -21.291 8.622 2.856 1.00 0.00 H new ATOM 0 HA LEU A 105 -21.819 6.688 0.893 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -22.406 6.786 3.818 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -22.922 5.458 2.799 1.00 0.00 H new ATOM 0 HG LEU A 105 -20.159 6.233 3.651 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -20.083 3.802 4.101 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -21.472 4.569 4.907 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -21.716 3.630 3.415 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -19.197 4.734 1.980 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -20.795 4.552 1.218 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -19.990 6.139 1.228 1.00 0.00 H new ATOM 1666 N GLU A 106 -24.238 8.532 1.962 1.00 0.00 N ATOM 1667 CA GLU A 106 -25.597 8.952 1.715 1.00 0.00 C ATOM 1668 C GLU A 106 -25.805 9.314 0.238 1.00 0.00 C ATOM 1669 O GLU A 106 -26.939 9.350 -0.248 1.00 0.00 O ATOM 1670 CB GLU A 106 -25.963 10.128 2.619 1.00 0.00 C ATOM 1671 CG GLU A 106 -24.990 11.286 2.534 1.00 0.00 C ATOM 1672 CD GLU A 106 -25.391 12.464 3.372 1.00 0.00 C ATOM 1673 OE1 GLU A 106 -25.162 12.450 4.603 1.00 0.00 O ATOM 1674 OE2 GLU A 106 -25.906 13.439 2.818 1.00 0.00 O ATOM 0 H GLU A 106 -23.712 9.160 2.570 1.00 0.00 H new ATOM 0 HA GLU A 106 -26.258 8.117 1.948 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -26.959 10.482 2.355 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -26.012 9.780 3.651 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -24.003 10.945 2.848 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -24.903 11.602 1.494 1.00 0.00 H new ATOM 1681 N ARG A 107 -24.715 9.569 -0.481 1.00 0.00 N ATOM 1682 CA ARG A 107 -24.817 9.919 -1.870 1.00 0.00 C ATOM 1683 C ARG A 107 -24.590 8.678 -2.753 1.00 0.00 C ATOM 1684 O ARG A 107 -24.849 8.703 -3.948 1.00 0.00 O ATOM 1685 CB ARG A 107 -23.866 11.069 -2.206 1.00 0.00 C ATOM 1686 CG ARG A 107 -22.513 10.675 -2.738 1.00 0.00 C ATOM 1687 CD ARG A 107 -21.638 11.892 -2.987 1.00 0.00 C ATOM 1688 NE ARG A 107 -22.295 12.892 -3.813 1.00 0.00 N ATOM 1689 CZ ARG A 107 -21.698 13.959 -4.354 1.00 0.00 C ATOM 1690 NH1 ARG A 107 -20.397 14.183 -4.138 1.00 0.00 N ATOM 1691 NH2 ARG A 107 -22.413 14.809 -5.084 1.00 0.00 N ATOM 0 H ARG A 107 -23.763 9.537 -0.116 1.00 0.00 H new ATOM 0 HA ARG A 107 -25.825 10.276 -2.079 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -24.350 11.711 -2.942 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -23.720 11.668 -1.307 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -22.021 10.011 -2.028 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -22.634 10.116 -3.666 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -21.363 12.339 -2.032 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -20.713 11.577 -3.470 1.00 0.00 H new ATOM 0 HE ARG A 107 -23.291 12.770 -3.994 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -19.858 13.539 -3.559 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -19.944 14.998 -4.552 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -23.409 14.645 -5.228 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -21.965 15.626 -5.500 1.00 0.00 H new ATOM 1705 N LEU A 108 -24.054 7.610 -2.145 1.00 0.00 N ATOM 1706 CA LEU A 108 -23.940 6.290 -2.818 1.00 0.00 C ATOM 1707 C LEU A 108 -25.290 5.750 -3.263 1.00 0.00 C ATOM 1708 O LEU A 108 -26.347 6.145 -2.751 1.00 0.00 O ATOM 1709 CB LEU A 108 -23.318 5.220 -1.898 1.00 0.00 C ATOM 1710 CG LEU A 108 -21.856 4.882 -2.113 1.00 0.00 C ATOM 1711 CD1 LEU A 108 -21.604 4.372 -3.482 1.00 0.00 C ATOM 1712 CD2 LEU A 108 -21.007 6.029 -1.781 1.00 0.00 C ATOM 0 H LEU A 108 -23.691 7.625 -1.192 1.00 0.00 H new ATOM 0 HA LEU A 108 -23.300 6.473 -3.681 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -23.439 5.550 -0.866 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -23.896 4.303 -2.009 1.00 0.00 H new ATOM 0 HG LEU A 108 -21.593 4.072 -1.433 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -20.545 4.142 -3.595 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -22.192 3.469 -3.648 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -21.890 5.130 -4.211 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -19.961 5.766 -1.942 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -21.271 6.873 -2.418 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -21.156 6.302 -0.736 1.00 0.00 H new ATOM 1724 N GLU A 109 -25.246 4.812 -4.185 1.00 0.00 N ATOM 1725 CA GLU A 109 -26.428 4.122 -4.629 1.00 0.00 C ATOM 1726 C GLU A 109 -26.733 2.984 -3.653 1.00 0.00 C ATOM 1727 O GLU A 109 -26.357 1.838 -3.898 1.00 0.00 O ATOM 1728 CB GLU A 109 -26.254 3.576 -6.051 1.00 0.00 C ATOM 1729 CG GLU A 109 -25.886 4.627 -7.082 1.00 0.00 C ATOM 1730 CD GLU A 109 -25.778 4.055 -8.470 1.00 0.00 C ATOM 1731 OE1 GLU A 109 -24.782 3.378 -8.775 1.00 0.00 O ATOM 1732 OE2 GLU A 109 -26.696 4.252 -9.282 1.00 0.00 O ATOM 0 H GLU A 109 -24.387 4.510 -4.645 1.00 0.00 H new ATOM 0 HA GLU A 109 -27.261 4.825 -4.651 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -25.481 2.808 -6.041 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -27.181 3.092 -6.358 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -26.636 5.418 -7.075 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -24.937 5.086 -6.806 1.00 0.00 H new ATOM 1739 N SER A 110 -27.247 3.385 -2.491 1.00 0.00 N ATOM 1740 CA SER A 110 -27.715 2.548 -1.364 1.00 0.00 C ATOM 1741 C SER A 110 -26.939 1.218 -1.126 1.00 0.00 C ATOM 1742 O SER A 110 -26.067 1.148 -0.271 1.00 0.00 O ATOM 1743 CB SER A 110 -29.203 2.309 -1.496 1.00 0.00 C ATOM 1744 OG SER A 110 -29.886 3.540 -1.726 1.00 0.00 O ATOM 0 H SER A 110 -27.360 4.378 -2.288 1.00 0.00 H new ATOM 0 HA SER A 110 -27.496 3.124 -0.465 1.00 0.00 H new ATOM 0 HB2 SER A 110 -29.396 1.620 -2.318 1.00 0.00 H new ATOM 0 HB3 SER A 110 -29.584 1.838 -0.590 1.00 0.00 H new ATOM 0 HG SER A 110 -30.847 3.370 -1.811 1.00 0.00 H new ATOM 1750 N HIS A 111 -27.231 0.199 -1.918 1.00 0.00 N ATOM 1751 CA HIS A 111 -26.639 -1.137 -1.756 1.00 0.00 C ATOM 1752 C HIS A 111 -25.127 -1.127 -1.920 1.00 0.00 C ATOM 1753 O HIS A 111 -24.434 -1.965 -1.335 1.00 0.00 O ATOM 1754 CB HIS A 111 -27.281 -2.162 -2.711 1.00 0.00 C ATOM 1755 CG HIS A 111 -27.122 -1.809 -4.170 1.00 0.00 C ATOM 1756 ND1 HIS A 111 -26.023 -2.152 -4.929 1.00 0.00 N ATOM 1757 CD2 HIS A 111 -27.919 -1.078 -4.982 1.00 0.00 C ATOM 1758 CE1 HIS A 111 -26.175 -1.626 -6.136 1.00 0.00 C ATOM 1759 NE2 HIS A 111 -27.315 -0.962 -6.230 1.00 0.00 N ATOM 0 H HIS A 111 -27.886 0.266 -2.697 1.00 0.00 H new ATOM 0 HA HIS A 111 -26.853 -1.443 -0.732 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -26.837 -3.141 -2.532 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -28.343 -2.247 -2.480 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -28.872 -0.652 -4.706 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -25.460 -1.727 -6.939 1.00 0.00 H new ATOM 0 HE2 HIS A 111 -27.676 -0.468 -7.046 1.00 0.00 H new ATOM 1767 N MET A 112 -24.631 -0.189 -2.702 1.00 0.00 N ATOM 1768 CA MET A 112 -23.205 -0.039 -2.909 1.00 0.00 C ATOM 1769 C MET A 112 -22.490 0.194 -1.605 1.00 0.00 C ATOM 1770 O MET A 112 -21.575 -0.542 -1.257 1.00 0.00 O ATOM 1771 CB MET A 112 -22.913 1.106 -3.863 1.00 0.00 C ATOM 1772 CG MET A 112 -22.961 0.739 -5.326 1.00 0.00 C ATOM 1773 SD MET A 112 -21.655 -0.426 -5.776 1.00 0.00 S ATOM 1774 CE MET A 112 -20.189 0.478 -5.248 1.00 0.00 C ATOM 0 H MET A 112 -25.202 0.487 -3.209 1.00 0.00 H new ATOM 0 HA MET A 112 -22.840 -0.967 -3.348 1.00 0.00 H new ATOM 0 HB2 MET A 112 -23.631 1.905 -3.680 1.00 0.00 H new ATOM 0 HB3 MET A 112 -21.925 1.507 -3.636 1.00 0.00 H new ATOM 0 HG2 MET A 112 -23.932 0.302 -5.558 1.00 0.00 H new ATOM 0 HG3 MET A 112 -22.865 1.642 -5.929 1.00 0.00 H new ATOM 0 HE1 MET A 112 -19.475 0.525 -6.070 1.00 0.00 H new ATOM 0 HE2 MET A 112 -20.471 1.489 -4.954 1.00 0.00 H new ATOM 0 HE3 MET A 112 -19.733 -0.032 -4.400 1.00 0.00 H new ATOM 1784 N GLN A 113 -22.959 1.169 -0.850 1.00 0.00 N ATOM 1785 CA GLN A 113 -22.302 1.527 0.386 1.00 0.00 C ATOM 1786 C GLN A 113 -22.490 0.454 1.437 1.00 0.00 C ATOM 1787 O GLN A 113 -21.615 0.216 2.242 1.00 0.00 O ATOM 1788 CB GLN A 113 -22.753 2.889 0.905 1.00 0.00 C ATOM 1789 CG GLN A 113 -24.227 3.034 1.034 1.00 0.00 C ATOM 1790 CD GLN A 113 -24.704 3.470 2.397 1.00 0.00 C ATOM 1791 OE1 GLN A 113 -24.943 2.650 3.270 1.00 0.00 O ATOM 1792 NE2 GLN A 113 -24.922 4.726 2.561 1.00 0.00 N ATOM 0 H GLN A 113 -23.787 1.722 -1.071 1.00 0.00 H new ATOM 0 HA GLN A 113 -21.237 1.605 0.168 1.00 0.00 H new ATOM 0 HB2 GLN A 113 -22.295 3.064 1.879 1.00 0.00 H new ATOM 0 HB3 GLN A 113 -22.380 3.663 0.234 1.00 0.00 H new ATOM 0 HG2 GLN A 113 -24.573 3.757 0.295 1.00 0.00 H new ATOM 0 HG3 GLN A 113 -24.694 2.080 0.789 1.00 0.00 H new ATOM 0 HE21 GLN A 113 -24.710 5.383 1.810 1.00 0.00 H new ATOM 0 HE22 GLN A 113 -25.307 5.066 3.442 1.00 0.00 H new ATOM 1801 N LYS A 114 -23.618 -0.218 1.381 1.00 0.00 N ATOM 1802 CA LYS A 114 -23.928 -1.271 2.329 1.00 0.00 C ATOM 1803 C LYS A 114 -23.051 -2.488 2.113 1.00 0.00 C ATOM 1804 O LYS A 114 -22.711 -3.199 3.058 1.00 0.00 O ATOM 1805 CB LYS A 114 -25.391 -1.645 2.260 1.00 0.00 C ATOM 1806 CG LYS A 114 -26.306 -0.477 2.515 1.00 0.00 C ATOM 1807 CD LYS A 114 -27.737 -0.904 2.534 1.00 0.00 C ATOM 1808 CE LYS A 114 -28.658 0.292 2.650 1.00 0.00 C ATOM 1809 NZ LYS A 114 -30.082 -0.092 2.629 1.00 0.00 N ATOM 0 H LYS A 114 -24.344 -0.054 0.683 1.00 0.00 H new ATOM 0 HA LYS A 114 -23.720 -0.886 3.327 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -25.608 -2.063 1.277 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -25.596 -2.427 2.991 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -26.050 -0.013 3.467 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -26.160 0.278 1.743 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -27.967 -1.458 1.624 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -27.907 -1.581 3.371 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -28.442 0.825 3.576 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -28.458 0.982 1.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -30.673 0.760 2.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -30.297 -0.578 1.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -30.281 -0.729 3.426 1.00 0.00 H new ATOM 1823 N ASN A 115 -22.656 -2.710 0.872 1.00 0.00 N ATOM 1824 CA ASN A 115 -21.773 -3.818 0.554 1.00 0.00 C ATOM 1825 C ASN A 115 -20.388 -3.475 1.085 1.00 0.00 C ATOM 1826 O ASN A 115 -19.652 -4.331 1.545 1.00 0.00 O ATOM 1827 CB ASN A 115 -21.724 -4.043 -0.973 1.00 0.00 C ATOM 1828 CG ASN A 115 -21.077 -5.353 -1.390 1.00 0.00 C ATOM 1829 OD1 ASN A 115 -21.073 -6.334 -0.646 1.00 0.00 O ATOM 1830 ND2 ASN A 115 -20.596 -5.399 -2.603 1.00 0.00 N ATOM 0 H ASN A 115 -22.931 -2.141 0.071 1.00 0.00 H new ATOM 0 HA ASN A 115 -22.137 -4.737 1.013 1.00 0.00 H new ATOM 0 HB2 ASN A 115 -22.740 -4.011 -1.366 1.00 0.00 H new ATOM 0 HB3 ASN A 115 -21.179 -3.219 -1.433 1.00 0.00 H new ATOM 0 HD21 ASN A 115 -20.200 -6.268 -2.962 1.00 0.00 H new ATOM 0 HD22 ASN A 115 -20.616 -4.566 -3.192 1.00 0.00 H new ATOM 1837 N LEU A 116 -20.074 -2.183 1.061 1.00 0.00 N ATOM 1838 CA LEU A 116 -18.806 -1.668 1.574 1.00 0.00 C ATOM 1839 C LEU A 116 -18.791 -1.726 3.110 1.00 0.00 C ATOM 1840 O LEU A 116 -17.735 -1.884 3.721 1.00 0.00 O ATOM 1841 CB LEU A 116 -18.610 -0.228 1.140 1.00 0.00 C ATOM 1842 CG LEU A 116 -18.754 0.080 -0.352 1.00 0.00 C ATOM 1843 CD1 LEU A 116 -18.763 1.577 -0.571 1.00 0.00 C ATOM 1844 CD2 LEU A 116 -17.620 -0.543 -1.143 1.00 0.00 C ATOM 0 H LEU A 116 -20.691 -1.463 0.686 1.00 0.00 H new ATOM 0 HA LEU A 116 -18.002 -2.286 1.174 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -19.327 0.389 1.683 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -17.615 0.087 1.455 1.00 0.00 H new ATOM 0 HG LEU A 116 -19.696 -0.345 -0.700 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -18.866 1.788 -1.635 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -19.600 2.019 -0.031 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -17.829 2.004 -0.205 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -17.744 -0.311 -2.201 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -16.669 -0.143 -0.792 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -17.631 -1.624 -1.005 1.00 0.00 H new ATOM 1856 N LEU A 117 -19.971 -1.536 3.720 1.00 0.00 N ATOM 1857 CA LEU A 117 -20.155 -1.676 5.171 1.00 0.00 C ATOM 1858 C LEU A 117 -19.762 -3.077 5.622 1.00 0.00 C ATOM 1859 O LEU A 117 -19.136 -3.245 6.659 1.00 0.00 O ATOM 1860 CB LEU A 117 -21.620 -1.421 5.578 1.00 0.00 C ATOM 1861 CG LEU A 117 -22.217 -0.055 5.228 1.00 0.00 C ATOM 1862 CD1 LEU A 117 -23.656 0.045 5.708 1.00 0.00 C ATOM 1863 CD2 LEU A 117 -21.386 1.064 5.810 1.00 0.00 C ATOM 0 H LEU A 117 -20.823 -1.281 3.221 1.00 0.00 H new ATOM 0 HA LEU A 117 -19.517 -0.935 5.652 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -22.238 -2.189 5.113 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -21.700 -1.558 6.656 1.00 0.00 H new ATOM 0 HG LEU A 117 -22.209 0.045 4.143 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -24.059 1.024 5.448 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -24.254 -0.732 5.231 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -23.689 -0.085 6.790 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -21.832 2.023 5.547 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -21.352 0.965 6.895 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -20.374 1.012 5.409 1.00 0.00 H new ATOM 1875 N LYS A 118 -20.159 -4.076 4.832 1.00 0.00 N ATOM 1876 CA LYS A 118 -19.826 -5.477 5.084 1.00 0.00 C ATOM 1877 C LYS A 118 -18.405 -5.720 4.702 1.00 0.00 C ATOM 1878 O LYS A 118 -17.713 -6.534 5.297 1.00 0.00 O ATOM 1879 CB LYS A 118 -20.678 -6.352 4.215 1.00 0.00 C ATOM 1880 CG LYS A 118 -22.132 -6.155 4.421 1.00 0.00 C ATOM 1881 CD LYS A 118 -22.895 -6.659 3.225 1.00 0.00 C ATOM 1882 CE LYS A 118 -24.380 -6.440 3.370 1.00 0.00 C ATOM 1883 NZ LYS A 118 -25.147 -7.062 2.270 1.00 0.00 N ATOM 0 H LYS A 118 -20.724 -3.934 3.995 1.00 0.00 H new ATOM 0 HA LYS A 118 -19.990 -5.698 6.139 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -20.438 -6.157 3.170 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -20.430 -7.395 4.410 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -22.455 -6.683 5.318 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -22.345 -5.098 4.580 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -22.539 -6.152 2.328 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -22.697 -7.722 3.090 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -24.715 -6.852 4.322 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -24.587 -5.370 3.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -26.162 -6.886 2.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -24.848 -6.651 1.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -24.972 -8.087 2.261 1.00 0.00 H new ATOM 1897 N GLY A 119 -17.998 -5.027 3.697 1.00 0.00 N ATOM 1898 CA GLY A 119 -16.699 -5.126 3.202 1.00 0.00 C ATOM 1899 C GLY A 119 -16.705 -5.860 1.912 1.00 0.00 C ATOM 1900 O GLY A 119 -17.444 -6.836 1.750 1.00 0.00 O ATOM 0 H GLY A 119 -18.586 -4.363 3.194 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -16.277 -4.131 3.062 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -16.065 -5.643 3.922 1.00 0.00 H new ATOM 1904 N ILE A 120 -15.942 -5.401 0.977 1.00 0.00 N ATOM 1905 CA ILE A 120 -15.834 -6.110 -0.276 1.00 0.00 C ATOM 1906 C ILE A 120 -14.784 -7.165 -0.110 1.00 0.00 C ATOM 1907 O ILE A 120 -13.648 -6.822 0.186 1.00 0.00 O ATOM 1908 CB ILE A 120 -15.429 -5.182 -1.459 1.00 0.00 C ATOM 1909 CG1 ILE A 120 -16.337 -3.956 -1.511 1.00 0.00 C ATOM 1910 CG2 ILE A 120 -15.474 -5.943 -2.788 1.00 0.00 C ATOM 1911 CD1 ILE A 120 -17.792 -4.306 -1.431 1.00 0.00 C ATOM 0 H ILE A 120 -15.386 -4.549 1.044 1.00 0.00 H new ATOM 0 HA ILE A 120 -16.810 -6.531 -0.517 1.00 0.00 H new ATOM 0 HB ILE A 120 -14.405 -4.847 -1.295 1.00 0.00 H new ATOM 0 HG12 ILE A 120 -16.083 -3.287 -0.689 1.00 0.00 H new ATOM 0 HG13 ILE A 120 -16.150 -3.410 -2.436 1.00 0.00 H new ATOM 0 HG21 ILE A 120 -15.187 -5.275 -3.600 1.00 0.00 H new ATOM 0 HG22 ILE A 120 -14.782 -6.784 -2.749 1.00 0.00 H new ATOM 0 HG23 ILE A 120 -16.485 -6.312 -2.962 1.00 0.00 H new ATOM 0 HD11 ILE A 120 -18.388 -3.395 -1.473 1.00 0.00 H new ATOM 0 HD12 ILE A 120 -18.057 -4.952 -2.268 1.00 0.00 H new ATOM 0 HD13 ILE A 120 -17.990 -4.827 -0.494 1.00 0.00 H new ATOM 1923 N PRO A 121 -15.118 -8.457 -0.341 1.00 0.00 N ATOM 1924 CA PRO A 121 -14.179 -9.608 -0.161 1.00 0.00 C ATOM 1925 C PRO A 121 -13.042 -9.629 -1.203 1.00 0.00 C ATOM 1926 O PRO A 121 -12.384 -10.654 -1.417 1.00 0.00 O ATOM 1927 CB PRO A 121 -15.091 -10.827 -0.345 1.00 0.00 C ATOM 1928 CG PRO A 121 -16.193 -10.338 -1.220 1.00 0.00 C ATOM 1929 CD PRO A 121 -16.450 -8.921 -0.800 1.00 0.00 C ATOM 0 HA PRO A 121 -13.669 -9.567 0.802 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -14.556 -11.657 -0.806 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -15.472 -11.186 0.611 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -15.910 -10.389 -2.271 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -17.087 -10.949 -1.101 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -16.824 -8.317 -1.627 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -17.192 -8.865 -0.004 1.00 0.00 H new ATOM 1937 N PHE A 122 -12.830 -8.481 -1.803 1.00 0.00 N ATOM 1938 CA PHE A 122 -11.829 -8.223 -2.812 1.00 0.00 C ATOM 1939 C PHE A 122 -12.060 -8.906 -4.131 1.00 0.00 C ATOM 1940 O PHE A 122 -12.833 -9.864 -4.263 1.00 0.00 O ATOM 1941 CB PHE A 122 -10.400 -8.462 -2.334 1.00 0.00 C ATOM 1942 CG PHE A 122 -9.753 -7.290 -1.656 1.00 0.00 C ATOM 1943 CD1 PHE A 122 -10.081 -6.940 -0.369 1.00 0.00 C ATOM 1944 CD2 PHE A 122 -8.788 -6.553 -2.318 1.00 0.00 C ATOM 1945 CE1 PHE A 122 -9.463 -5.874 0.253 1.00 0.00 C ATOM 1946 CE2 PHE A 122 -8.164 -5.494 -1.703 1.00 0.00 C ATOM 1947 CZ PHE A 122 -8.502 -5.153 -0.414 1.00 0.00 C ATOM 0 H PHE A 122 -13.385 -7.653 -1.587 1.00 0.00 H new ATOM 0 HA PHE A 122 -11.951 -7.155 -2.994 1.00 0.00 H new ATOM 0 HB2 PHE A 122 -10.400 -9.307 -1.645 1.00 0.00 H new ATOM 0 HB3 PHE A 122 -9.790 -8.749 -3.190 1.00 0.00 H new ATOM 0 HD1 PHE A 122 -10.832 -7.506 0.163 1.00 0.00 H new ATOM 0 HD2 PHE A 122 -8.521 -6.813 -3.332 1.00 0.00 H new ATOM 0 HE1 PHE A 122 -9.735 -5.607 1.264 1.00 0.00 H new ATOM 0 HE2 PHE A 122 -7.409 -4.930 -2.231 1.00 0.00 H new ATOM 0 HZ PHE A 122 -8.014 -4.321 0.072 1.00 0.00 H new ATOM 1957 N ARG A 123 -11.363 -8.389 -5.078 1.00 0.00 N ATOM 1958 CA ARG A 123 -11.311 -8.796 -6.437 1.00 0.00 C ATOM 1959 C ARG A 123 -9.921 -8.410 -6.891 1.00 0.00 C ATOM 1960 O ARG A 123 -9.194 -7.825 -6.089 1.00 0.00 O ATOM 1961 CB ARG A 123 -12.414 -8.165 -7.308 1.00 0.00 C ATOM 1962 CG ARG A 123 -13.825 -8.696 -7.053 1.00 0.00 C ATOM 1963 CD ARG A 123 -14.807 -8.246 -8.133 1.00 0.00 C ATOM 1964 NE ARG A 123 -15.033 -6.788 -8.160 1.00 0.00 N ATOM 1965 CZ ARG A 123 -15.115 -6.045 -9.285 1.00 0.00 C ATOM 1966 NH1 ARG A 123 -14.789 -6.573 -10.472 1.00 0.00 N ATOM 1967 NH2 ARG A 123 -15.471 -4.760 -9.197 1.00 0.00 N ATOM 0 H ARG A 123 -10.754 -7.590 -4.903 1.00 0.00 H new ATOM 0 HA ARG A 123 -11.498 -9.865 -6.540 1.00 0.00 H new ATOM 0 HB2 ARG A 123 -12.413 -7.087 -7.144 1.00 0.00 H new ATOM 0 HB3 ARG A 123 -12.165 -8.328 -8.357 1.00 0.00 H new ATOM 0 HG2 ARG A 123 -13.802 -9.785 -7.015 1.00 0.00 H new ATOM 0 HG3 ARG A 123 -14.173 -8.350 -6.079 1.00 0.00 H new ATOM 0 HD2 ARG A 123 -14.434 -8.565 -9.106 1.00 0.00 H new ATOM 0 HD3 ARG A 123 -15.761 -8.750 -7.977 1.00 0.00 H new ATOM 0 HE ARG A 123 -15.134 -6.307 -7.266 1.00 0.00 H new ATOM 0 HH11 ARG A 123 -14.476 -7.542 -10.531 1.00 0.00 H new ATOM 0 HH12 ARG A 123 -14.853 -6.006 -11.317 1.00 0.00 H new ATOM 0 HH21 ARG A 123 -15.678 -4.349 -8.287 1.00 0.00 H new ATOM 0 HH22 ARG A 123 -15.536 -4.190 -10.040 1.00 0.00 H new ATOM 1981 N THR A 124 -9.557 -8.694 -8.119 1.00 0.00 N ATOM 1982 CA THR A 124 -8.182 -8.557 -8.603 1.00 0.00 C ATOM 1983 C THR A 124 -7.789 -7.059 -8.622 1.00 0.00 C ATOM 1984 O THR A 124 -8.640 -6.214 -8.427 1.00 0.00 O ATOM 1985 CB THR A 124 -8.079 -9.206 -10.019 1.00 0.00 C ATOM 1986 OG1 THR A 124 -8.734 -10.476 -9.984 1.00 0.00 O ATOM 1987 CG2 THR A 124 -6.638 -9.431 -10.440 1.00 0.00 C ATOM 0 H THR A 124 -10.208 -9.032 -8.828 1.00 0.00 H new ATOM 0 HA THR A 124 -7.486 -9.072 -7.941 1.00 0.00 H new ATOM 0 HB THR A 124 -8.544 -8.527 -10.734 1.00 0.00 H new ATOM 0 HG1 THR A 124 -9.660 -10.375 -10.289 1.00 0.00 H new ATOM 0 HG21 THR A 124 -6.615 -9.884 -11.431 1.00 0.00 H new ATOM 0 HG22 THR A 124 -6.113 -8.476 -10.465 1.00 0.00 H new ATOM 0 HG23 THR A 124 -6.150 -10.095 -9.726 1.00 0.00 H new ATOM 1995 N LYS A 125 -6.542 -6.738 -8.906 1.00 0.00 N ATOM 1996 CA LYS A 125 -6.039 -5.393 -8.815 1.00 0.00 C ATOM 1997 C LYS A 125 -6.825 -4.403 -9.678 1.00 0.00 C ATOM 1998 O LYS A 125 -7.132 -3.304 -9.236 1.00 0.00 O ATOM 1999 CB LYS A 125 -4.535 -5.413 -9.106 1.00 0.00 C ATOM 2000 CG LYS A 125 -3.915 -4.113 -9.567 1.00 0.00 C ATOM 2001 CD LYS A 125 -3.621 -4.198 -11.045 1.00 0.00 C ATOM 2002 CE LYS A 125 -4.332 -3.146 -11.846 1.00 0.00 C ATOM 2003 NZ LYS A 125 -3.783 -1.800 -11.613 1.00 0.00 N ATOM 0 H LYS A 125 -5.845 -7.418 -9.210 1.00 0.00 H new ATOM 0 HA LYS A 125 -6.186 -5.020 -7.802 1.00 0.00 H new ATOM 0 HB2 LYS A 125 -4.018 -5.735 -8.202 1.00 0.00 H new ATOM 0 HB3 LYS A 125 -4.346 -6.169 -9.868 1.00 0.00 H new ATOM 0 HG2 LYS A 125 -4.592 -3.283 -9.366 1.00 0.00 H new ATOM 0 HG3 LYS A 125 -2.997 -3.918 -9.012 1.00 0.00 H new ATOM 0 HD2 LYS A 125 -2.547 -4.102 -11.202 1.00 0.00 H new ATOM 0 HD3 LYS A 125 -3.910 -5.183 -11.411 1.00 0.00 H new ATOM 0 HE2 LYS A 125 -4.258 -3.388 -12.906 1.00 0.00 H new ATOM 0 HE3 LYS A 125 -5.392 -3.153 -11.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 -4.006 -1.189 -12.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 -4.204 -1.398 -10.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 -2.751 -1.861 -11.498 1.00 0.00 H new ATOM 2017 N ALA A 126 -7.223 -4.834 -10.857 1.00 0.00 N ATOM 2018 CA ALA A 126 -7.961 -3.975 -11.762 1.00 0.00 C ATOM 2019 C ALA A 126 -9.398 -3.875 -11.313 1.00 0.00 C ATOM 2020 O ALA A 126 -10.062 -2.870 -11.513 1.00 0.00 O ATOM 2021 CB ALA A 126 -7.884 -4.516 -13.168 1.00 0.00 C ATOM 0 H ALA A 126 -7.048 -5.774 -11.212 1.00 0.00 H new ATOM 0 HA ALA A 126 -7.519 -2.979 -11.750 1.00 0.00 H new ATOM 0 HB1 ALA A 126 -8.442 -3.864 -13.840 1.00 0.00 H new ATOM 0 HB2 ALA A 126 -6.842 -4.558 -13.485 1.00 0.00 H new ATOM 0 HB3 ALA A 126 -8.313 -5.518 -13.196 1.00 0.00 H new ATOM 2027 N GLU A 127 -9.850 -4.905 -10.651 1.00 0.00 N ATOM 2028 CA GLU A 127 -11.211 -4.972 -10.187 1.00 0.00 C ATOM 2029 C GLU A 127 -11.361 -4.165 -8.911 1.00 0.00 C ATOM 2030 O GLU A 127 -12.417 -3.623 -8.600 1.00 0.00 O ATOM 2031 CB GLU A 127 -11.565 -6.379 -9.905 1.00 0.00 C ATOM 2032 CG GLU A 127 -11.195 -7.346 -10.984 1.00 0.00 C ATOM 2033 CD GLU A 127 -11.877 -8.658 -10.757 1.00 0.00 C ATOM 2034 OE1 GLU A 127 -13.096 -8.752 -10.970 1.00 0.00 O ATOM 2035 OE2 GLU A 127 -11.213 -9.607 -10.292 1.00 0.00 O ATOM 0 H GLU A 127 -9.286 -5.722 -10.417 1.00 0.00 H new ATOM 0 HA GLU A 127 -11.869 -4.567 -10.956 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -11.076 -6.684 -8.980 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -12.640 -6.441 -9.733 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -11.479 -6.944 -11.956 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -10.114 -7.488 -11.001 1.00 0.00 H new ATOM 2042 N PHE A 128 -10.301 -4.128 -8.178 1.00 0.00 N ATOM 2043 CA PHE A 128 -10.192 -3.360 -6.982 1.00 0.00 C ATOM 2044 C PHE A 128 -10.239 -1.867 -7.313 1.00 0.00 C ATOM 2045 O PHE A 128 -10.946 -1.099 -6.677 1.00 0.00 O ATOM 2046 CB PHE A 128 -8.893 -3.752 -6.281 1.00 0.00 C ATOM 2047 CG PHE A 128 -8.506 -2.819 -5.161 1.00 0.00 C ATOM 2048 CD1 PHE A 128 -7.741 -1.685 -5.425 1.00 0.00 C ATOM 2049 CD2 PHE A 128 -8.916 -3.051 -3.871 1.00 0.00 C ATOM 2050 CE1 PHE A 128 -7.405 -0.811 -4.417 1.00 0.00 C ATOM 2051 CE2 PHE A 128 -8.577 -2.179 -2.854 1.00 0.00 C ATOM 2052 CZ PHE A 128 -7.824 -1.059 -3.129 1.00 0.00 C ATOM 0 H PHE A 128 -9.454 -4.651 -8.402 1.00 0.00 H new ATOM 0 HA PHE A 128 -11.027 -3.563 -6.312 1.00 0.00 H new ATOM 0 HB2 PHE A 128 -8.995 -4.761 -5.883 1.00 0.00 H new ATOM 0 HB3 PHE A 128 -8.088 -3.779 -7.015 1.00 0.00 H new ATOM 0 HD1 PHE A 128 -7.408 -1.490 -6.433 1.00 0.00 H new ATOM 0 HD2 PHE A 128 -9.510 -3.925 -3.649 1.00 0.00 H new ATOM 0 HE1 PHE A 128 -6.815 0.067 -4.635 1.00 0.00 H new ATOM 0 HE2 PHE A 128 -8.903 -2.376 -1.843 1.00 0.00 H new ATOM 0 HZ PHE A 128 -7.562 -0.376 -2.335 1.00 0.00 H new ATOM 2062 N GLU A 129 -9.503 -1.454 -8.302 1.00 0.00 N ATOM 2063 CA GLU A 129 -9.573 -0.077 -8.703 1.00 0.00 C ATOM 2064 C GLU A 129 -10.892 0.250 -9.393 1.00 0.00 C ATOM 2065 O GLU A 129 -11.310 1.387 -9.433 1.00 0.00 O ATOM 2066 CB GLU A 129 -8.320 0.410 -9.410 1.00 0.00 C ATOM 2067 CG GLU A 129 -7.778 -0.514 -10.453 1.00 0.00 C ATOM 2068 CD GLU A 129 -6.468 -0.034 -10.995 1.00 0.00 C ATOM 2069 OE1 GLU A 129 -5.426 -0.237 -10.326 1.00 0.00 O ATOM 2070 OE2 GLU A 129 -6.428 0.530 -12.096 1.00 0.00 O ATOM 0 H GLU A 129 -8.859 -2.036 -8.838 1.00 0.00 H new ATOM 0 HA GLU A 129 -9.585 0.525 -7.795 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -8.535 1.372 -9.876 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -7.545 0.584 -8.663 1.00 0.00 H new ATOM 0 HG2 GLU A 129 -7.652 -1.509 -10.027 1.00 0.00 H new ATOM 0 HG3 GLU A 129 -8.497 -0.605 -11.267 1.00 0.00 H new ATOM 2077 N ASP A 130 -11.552 -0.784 -9.886 1.00 0.00 N ATOM 2078 CA ASP A 130 -12.902 -0.683 -10.484 1.00 0.00 C ATOM 2079 C ASP A 130 -13.914 -0.249 -9.430 1.00 0.00 C ATOM 2080 O ASP A 130 -14.778 0.584 -9.670 1.00 0.00 O ATOM 2081 CB ASP A 130 -13.318 -2.032 -11.039 1.00 0.00 C ATOM 2082 CG ASP A 130 -14.721 -2.062 -11.599 1.00 0.00 C ATOM 2083 OD1 ASP A 130 -14.958 -1.505 -12.704 1.00 0.00 O ATOM 2084 OD2 ASP A 130 -15.612 -2.670 -10.960 1.00 0.00 O ATOM 0 H ASP A 130 -11.176 -1.732 -9.890 1.00 0.00 H new ATOM 0 HA ASP A 130 -12.873 0.056 -11.285 1.00 0.00 H new ATOM 0 HB2 ASP A 130 -12.619 -2.321 -11.823 1.00 0.00 H new ATOM 0 HB3 ASP A 130 -13.238 -2.779 -10.249 1.00 0.00 H new ATOM 2089 N VAL A 131 -13.807 -0.822 -8.271 1.00 0.00 N ATOM 2090 CA VAL A 131 -14.669 -0.424 -7.169 1.00 0.00 C ATOM 2091 C VAL A 131 -14.204 0.932 -6.576 1.00 0.00 C ATOM 2092 O VAL A 131 -15.023 1.777 -6.187 1.00 0.00 O ATOM 2093 CB VAL A 131 -14.815 -1.556 -6.081 1.00 0.00 C ATOM 2094 CG1 VAL A 131 -13.490 -2.045 -5.583 1.00 0.00 C ATOM 2095 CG2 VAL A 131 -15.668 -1.107 -4.921 1.00 0.00 C ATOM 0 H VAL A 131 -13.141 -1.563 -8.051 1.00 0.00 H new ATOM 0 HA VAL A 131 -15.674 -0.276 -7.564 1.00 0.00 H new ATOM 0 HB VAL A 131 -15.313 -2.389 -6.578 1.00 0.00 H new ATOM 0 HG11 VAL A 131 -13.647 -2.823 -4.836 1.00 0.00 H new ATOM 0 HG12 VAL A 131 -12.916 -2.451 -6.416 1.00 0.00 H new ATOM 0 HG13 VAL A 131 -12.942 -1.217 -5.134 1.00 0.00 H new ATOM 0 HG21 VAL A 131 -15.745 -1.914 -4.192 1.00 0.00 H new ATOM 0 HG22 VAL A 131 -15.213 -0.236 -4.450 1.00 0.00 H new ATOM 0 HG23 VAL A 131 -16.663 -0.847 -5.281 1.00 0.00 H new ATOM 2105 N ILE A 132 -12.903 1.162 -6.583 1.00 0.00 N ATOM 2106 CA ILE A 132 -12.335 2.411 -6.087 1.00 0.00 C ATOM 2107 C ILE A 132 -12.694 3.615 -6.971 1.00 0.00 C ATOM 2108 O ILE A 132 -12.929 4.715 -6.459 1.00 0.00 O ATOM 2109 CB ILE A 132 -10.791 2.295 -5.823 1.00 0.00 C ATOM 2110 CG1 ILE A 132 -10.506 1.967 -4.343 1.00 0.00 C ATOM 2111 CG2 ILE A 132 -10.003 3.524 -6.281 1.00 0.00 C ATOM 2112 CD1 ILE A 132 -11.133 0.682 -3.842 1.00 0.00 C ATOM 0 H ILE A 132 -12.212 0.496 -6.929 1.00 0.00 H new ATOM 0 HA ILE A 132 -12.801 2.600 -5.120 1.00 0.00 H new ATOM 0 HB ILE A 132 -10.438 1.466 -6.437 1.00 0.00 H new ATOM 0 HG12 ILE A 132 -9.427 1.907 -4.201 1.00 0.00 H new ATOM 0 HG13 ILE A 132 -10.864 2.793 -3.728 1.00 0.00 H new ATOM 0 HG21 ILE A 132 -8.944 3.377 -6.069 1.00 0.00 H new ATOM 0 HG22 ILE A 132 -10.142 3.667 -7.353 1.00 0.00 H new ATOM 0 HG23 ILE A 132 -10.361 4.405 -5.748 1.00 0.00 H new ATOM 0 HD11 ILE A 132 -10.877 0.537 -2.792 1.00 0.00 H new ATOM 0 HD12 ILE A 132 -12.216 0.741 -3.946 1.00 0.00 H new ATOM 0 HD13 ILE A 132 -10.758 -0.158 -4.426 1.00 0.00 H new ATOM 2124 N GLU A 133 -12.774 3.408 -8.280 1.00 0.00 N ATOM 2125 CA GLU A 133 -13.135 4.480 -9.202 1.00 0.00 C ATOM 2126 C GLU A 133 -14.572 4.924 -8.979 1.00 0.00 C ATOM 2127 O GLU A 133 -14.929 6.074 -9.229 1.00 0.00 O ATOM 2128 CB GLU A 133 -12.911 4.103 -10.662 1.00 0.00 C ATOM 2129 CG GLU A 133 -13.714 2.923 -11.120 1.00 0.00 C ATOM 2130 CD GLU A 133 -13.586 2.623 -12.582 1.00 0.00 C ATOM 2131 OE1 GLU A 133 -12.545 2.091 -13.008 1.00 0.00 O ATOM 2132 OE2 GLU A 133 -14.557 2.869 -13.340 1.00 0.00 O ATOM 0 H GLU A 133 -12.594 2.509 -8.727 1.00 0.00 H new ATOM 0 HA GLU A 133 -12.469 5.315 -8.985 1.00 0.00 H new ATOM 0 HB2 GLU A 133 -13.155 4.960 -11.289 1.00 0.00 H new ATOM 0 HB3 GLU A 133 -11.853 3.889 -10.813 1.00 0.00 H new ATOM 0 HG2 GLU A 133 -13.405 2.045 -10.552 1.00 0.00 H new ATOM 0 HG3 GLU A 133 -14.764 3.100 -10.887 1.00 0.00 H new ATOM 2139 N HIS A 134 -15.380 4.010 -8.478 1.00 0.00 N ATOM 2140 CA HIS A 134 -16.754 4.297 -8.144 1.00 0.00 C ATOM 2141 C HIS A 134 -16.753 5.203 -6.911 1.00 0.00 C ATOM 2142 O HIS A 134 -17.464 6.175 -6.844 1.00 0.00 O ATOM 2143 CB HIS A 134 -17.488 2.984 -7.856 1.00 0.00 C ATOM 2144 CG HIS A 134 -18.987 3.082 -7.756 1.00 0.00 C ATOM 2145 ND1 HIS A 134 -19.858 2.695 -8.750 1.00 0.00 N ATOM 2146 CD2 HIS A 134 -19.755 3.488 -6.729 1.00 0.00 C ATOM 2147 CE1 HIS A 134 -21.105 2.877 -8.300 1.00 0.00 C ATOM 2148 NE2 HIS A 134 -21.100 3.361 -7.067 1.00 0.00 N ATOM 0 H HIS A 134 -15.098 3.047 -8.292 1.00 0.00 H new ATOM 0 HA HIS A 134 -17.265 4.798 -8.966 1.00 0.00 H new ATOM 0 HB2 HIS A 134 -17.241 2.271 -8.642 1.00 0.00 H new ATOM 0 HB3 HIS A 134 -17.106 2.573 -6.921 1.00 0.00 H new ATOM 0 HD1 HIS A 134 -19.598 2.333 -9.668 1.00 0.00 H new ATOM 0 HD2 HIS A 134 -19.384 3.857 -5.784 1.00 0.00 H new ATOM 0 HE1 HIS A 134 -21.998 2.658 -8.867 1.00 0.00 H new ATOM 2156 N MET A 135 -15.892 4.883 -5.968 1.00 0.00 N ATOM 2157 CA MET A 135 -15.741 5.662 -4.733 1.00 0.00 C ATOM 2158 C MET A 135 -15.286 7.091 -5.059 1.00 0.00 C ATOM 2159 O MET A 135 -15.894 8.078 -4.625 1.00 0.00 O ATOM 2160 CB MET A 135 -14.710 5.003 -3.805 1.00 0.00 C ATOM 2161 CG MET A 135 -14.934 3.519 -3.450 1.00 0.00 C ATOM 2162 SD MET A 135 -16.441 3.153 -2.508 1.00 0.00 S ATOM 2163 CE MET A 135 -17.710 3.146 -3.768 1.00 0.00 C ATOM 0 H MET A 135 -15.271 4.076 -6.026 1.00 0.00 H new ATOM 0 HA MET A 135 -16.708 5.694 -4.231 1.00 0.00 H new ATOM 0 HB2 MET A 135 -13.728 5.096 -4.270 1.00 0.00 H new ATOM 0 HB3 MET A 135 -14.678 5.572 -2.876 1.00 0.00 H new ATOM 0 HG2 MET A 135 -14.957 2.943 -4.375 1.00 0.00 H new ATOM 0 HG3 MET A 135 -14.076 3.168 -2.877 1.00 0.00 H new ATOM 0 HE1 MET A 135 -18.382 2.304 -3.603 1.00 0.00 H new ATOM 0 HE2 MET A 135 -18.275 4.077 -3.720 1.00 0.00 H new ATOM 0 HE3 MET A 135 -17.247 3.053 -4.750 1.00 0.00 H new ATOM 2173 N LYS A 136 -14.245 7.194 -5.866 1.00 0.00 N ATOM 2174 CA LYS A 136 -13.699 8.490 -6.265 1.00 0.00 C ATOM 2175 C LYS A 136 -14.634 9.256 -7.199 1.00 0.00 C ATOM 2176 O LYS A 136 -14.468 10.449 -7.398 1.00 0.00 O ATOM 2177 CB LYS A 136 -12.278 8.398 -6.826 1.00 0.00 C ATOM 2178 CG LYS A 136 -12.129 7.409 -7.941 1.00 0.00 C ATOM 2179 CD LYS A 136 -10.731 7.391 -8.531 1.00 0.00 C ATOM 2180 CE LYS A 136 -9.676 7.074 -7.486 1.00 0.00 C ATOM 2181 NZ LYS A 136 -8.327 6.965 -8.082 1.00 0.00 N ATOM 0 H LYS A 136 -13.754 6.393 -6.263 1.00 0.00 H new ATOM 0 HA LYS A 136 -13.624 9.071 -5.346 1.00 0.00 H new ATOM 0 HB2 LYS A 136 -11.974 9.382 -7.183 1.00 0.00 H new ATOM 0 HB3 LYS A 136 -11.596 8.127 -6.020 1.00 0.00 H new ATOM 0 HG2 LYS A 136 -12.375 6.413 -7.572 1.00 0.00 H new ATOM 0 HG3 LYS A 136 -12.847 7.644 -8.727 1.00 0.00 H new ATOM 0 HD2 LYS A 136 -10.684 6.651 -9.330 1.00 0.00 H new ATOM 0 HD3 LYS A 136 -10.515 8.360 -8.982 1.00 0.00 H new ATOM 0 HE2 LYS A 136 -9.674 7.853 -6.723 1.00 0.00 H new ATOM 0 HE3 LYS A 136 -9.929 6.139 -6.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 -7.635 6.748 -7.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 -8.321 6.205 -8.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 -8.075 7.865 -8.537 1.00 0.00 H new ATOM 2195 N THR A 137 -15.589 8.557 -7.808 1.00 0.00 N ATOM 2196 CA THR A 137 -16.567 9.216 -8.648 1.00 0.00 C ATOM 2197 C THR A 137 -17.489 10.080 -7.758 1.00 0.00 C ATOM 2198 O THR A 137 -18.082 11.065 -8.210 1.00 0.00 O ATOM 2199 CB THR A 137 -17.380 8.189 -9.528 1.00 0.00 C ATOM 2200 OG1 THR A 137 -17.542 8.709 -10.848 1.00 0.00 O ATOM 2201 CG2 THR A 137 -18.773 7.888 -8.969 1.00 0.00 C ATOM 0 H THR A 137 -15.700 7.546 -7.733 1.00 0.00 H new ATOM 0 HA THR A 137 -16.050 9.864 -9.356 1.00 0.00 H new ATOM 0 HB THR A 137 -16.805 7.263 -9.526 1.00 0.00 H new ATOM 0 HG1 THR A 137 -18.046 8.068 -11.392 1.00 0.00 H new ATOM 0 HG21 THR A 137 -19.280 7.176 -9.620 1.00 0.00 H new ATOM 0 HG22 THR A 137 -18.680 7.464 -7.969 1.00 0.00 H new ATOM 0 HG23 THR A 137 -19.352 8.810 -8.919 1.00 0.00 H new ATOM 2209 N TYR A 138 -17.582 9.713 -6.474 1.00 0.00 N ATOM 2210 CA TYR A 138 -18.321 10.486 -5.530 1.00 0.00 C ATOM 2211 C TYR A 138 -17.417 11.554 -4.993 1.00 0.00 C ATOM 2212 O TYR A 138 -17.690 12.741 -5.145 1.00 0.00 O ATOM 2213 CB TYR A 138 -18.908 9.586 -4.432 1.00 0.00 C ATOM 2214 CG TYR A 138 -19.936 8.652 -5.005 1.00 0.00 C ATOM 2215 CD1 TYR A 138 -21.111 9.163 -5.511 1.00 0.00 C ATOM 2216 CD2 TYR A 138 -19.706 7.292 -5.126 1.00 0.00 C ATOM 2217 CE1 TYR A 138 -22.050 8.346 -6.108 1.00 0.00 C ATOM 2218 CE2 TYR A 138 -20.624 6.481 -5.736 1.00 0.00 C ATOM 2219 CZ TYR A 138 -21.793 7.005 -6.223 1.00 0.00 C ATOM 2220 OH TYR A 138 -22.710 6.174 -6.828 1.00 0.00 O ATOM 0 H TYR A 138 -17.144 8.877 -6.086 1.00 0.00 H new ATOM 0 HA TYR A 138 -19.176 10.966 -6.006 1.00 0.00 H new ATOM 0 HB2 TYR A 138 -18.110 9.012 -3.960 1.00 0.00 H new ATOM 0 HB3 TYR A 138 -19.361 10.201 -3.654 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -21.301 10.224 -5.439 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -18.793 6.867 -4.735 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -22.976 8.759 -6.480 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -20.427 5.424 -5.834 1.00 0.00 H new ATOM 0 HH TYR A 138 -22.316 5.285 -6.949 1.00 0.00 H new ATOM 2230 N SER A 139 -16.297 11.116 -4.420 1.00 0.00 N ATOM 2231 CA SER A 139 -15.217 11.967 -3.893 1.00 0.00 C ATOM 2232 C SER A 139 -15.683 13.085 -2.941 1.00 0.00 C ATOM 2233 O SER A 139 -14.923 14.028 -2.652 1.00 0.00 O ATOM 2234 CB SER A 139 -14.357 12.523 -5.039 1.00 0.00 C ATOM 2235 OG SER A 139 -15.139 13.236 -5.995 1.00 0.00 O ATOM 0 H SER A 139 -16.104 10.121 -4.303 1.00 0.00 H new ATOM 0 HA SER A 139 -14.606 11.314 -3.270 1.00 0.00 H new ATOM 0 HB2 SER A 139 -13.592 13.184 -4.631 1.00 0.00 H new ATOM 0 HB3 SER A 139 -13.838 11.702 -5.534 1.00 0.00 H new ATOM 0 HG SER A 139 -14.557 13.575 -6.707 1.00 0.00 H new ATOM 2241 N GLY A 140 -16.873 12.967 -2.440 1.00 0.00 N ATOM 2242 CA GLY A 140 -17.408 13.934 -1.601 1.00 0.00 C ATOM 2243 C GLY A 140 -18.533 13.313 -0.940 1.00 0.00 C ATOM 2244 O GLY A 140 -18.869 13.710 0.178 1.00 0.00 O ATOM 2245 OXT GLY A 140 -19.056 12.334 -1.527 1.00 0.00 O ATOM 0 H GLY A 140 -17.491 12.175 -2.619 1.00 0.00 H new ATOM 0 HA2 GLY A 140 -16.668 14.273 -0.876 1.00 0.00 H new ATOM 0 HA3 GLY A 140 -17.724 14.810 -2.168 1.00 0.00 H new TER 2249 GLY A 140