USER MOD reduce.3.24.130724 H: found=0, std=0, add=798, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 798 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= -0.219 USER MOD Single : A 10 GLN :FLIP amide:sc= 0 F(o=-1,f=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= -2.04! USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=-0.0076) USER MOD Single : A 20 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 21 CYS SG : rot -32:sc= -1.41! USER MOD Single : A 23 LYS NZ :NH3+ -176:sc= 0.17 (180deg=-0.0216) USER MOD Single : A 24 ASN :FLIP amide:sc= -0.171 F(o=-1.7,f=-0.17) USER MOD Single : A 25 SER OG : rot -81:sc= 0.999 USER MOD Single : A 29 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0216) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot -170:sc= 0.0153 USER MOD Single : A 36 ASN : amide:sc= -0.451 X(o=-0.45,f=0) USER MOD Single : A 37 ASN :FLIP amide:sc= -0.0115 F(o=-1.1,f=-0.011) USER MOD Single : A 38 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 20:sc= 0.867 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -0.197 K(o=-0.2,f=-2.8!) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.00257 USER MOD Single : A 54 ASN : amide:sc= -0.236 K(o=-0.24,f=-4.1!) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 65 HIS : no HD1:sc= -0.283 X(o=-0.28,f=-0.1) USER MOD Single : A 66 THR OG1 : rot 180:sc= -1.6! USER MOD Single : A 67 GLN :FLIP amide:sc= 0 F(o=-1,f=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= 0.0531 X(o=0.053,f=0) USER MOD Single : A 71 LYS NZ :NH3+ -145:sc= 0.741 (180deg=0.195) USER MOD Single : A 74 GLN : amide:sc= -0.0468 X(o=-0.047,f=-0.47) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 86 GLN : amide:sc= -4.68! C(o=-4.7!,f=-7.2!) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 HIS : no HD1:sc= -0.148 X(o=-0.15,f=-0.021) USER MOD Single : A 90 SER OG : rot 41:sc= -1.36! USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 180:sc= 0.00276 USER MOD Single : A 97 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.117) USER MOD Single : A 99 SER OG : rot 45:sc= 0.0982 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 SER OG : rot -75:sc= 1.22 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -65.335 -8.276 -15.181 1.00 39.32 N ATOM 2 CA GLY A 1 -65.826 -9.661 -15.013 1.00 39.39 C ATOM 3 C GLY A 1 -65.448 -10.246 -13.667 1.00 39.02 C ATOM 4 O GLY A 1 -64.323 -10.710 -13.479 1.00 38.60 O ATOM 0 H1 GLY A 1 -65.618 -7.919 -16.116 1.00 39.32 H new ATOM 0 H2 GLY A 1 -65.744 -7.671 -14.441 1.00 39.32 H new ATOM 0 H3 GLY A 1 -64.298 -8.264 -15.105 1.00 39.32 H new ATOM 0 HA2 GLY A 1 -66.911 -9.675 -15.121 1.00 39.39 H new ATOM 0 HA3 GLY A 1 -65.418 -10.287 -15.806 1.00 39.39 H new ATOM 10 N PRO A 2 -66.374 -10.237 -12.700 1.00 39.23 N ATOM 11 CA PRO A 2 -66.144 -10.801 -11.381 1.00 38.99 C ATOM 12 C PRO A 2 -66.525 -12.281 -11.324 1.00 38.70 C ATOM 13 O PRO A 2 -66.682 -12.842 -10.241 1.00 39.16 O ATOM 14 CB PRO A 2 -67.065 -9.974 -10.478 1.00 39.44 C ATOM 15 CG PRO A 2 -68.061 -9.302 -11.380 1.00 39.88 C ATOM 16 CD PRO A 2 -67.724 -9.677 -12.805 1.00 39.77 C ATOM 0 HA PRO A 2 -65.095 -10.760 -11.088 1.00 38.99 H new ATOM 0 HB2 PRO A 2 -67.569 -10.611 -9.751 1.00 39.44 H new ATOM 0 HB3 PRO A 2 -66.494 -9.237 -9.914 1.00 39.44 H new ATOM 0 HG2 PRO A 2 -69.074 -9.618 -11.132 1.00 39.88 H new ATOM 0 HG3 PRO A 2 -68.024 -8.220 -11.251 1.00 39.88 H new ATOM 0 HD2 PRO A 2 -68.430 -10.404 -13.207 1.00 39.77 H new ATOM 0 HD3 PRO A 2 -67.749 -8.810 -13.465 1.00 39.77 H new ATOM 24 N LEU A 3 -66.663 -12.897 -12.507 1.00 37.99 N ATOM 25 CA LEU A 3 -67.083 -14.297 -12.648 1.00 37.71 C ATOM 26 C LEU A 3 -68.553 -14.473 -12.261 1.00 36.95 C ATOM 27 O LEU A 3 -69.367 -14.918 -13.071 1.00 36.88 O ATOM 28 CB LEU A 3 -66.198 -15.254 -11.831 1.00 37.68 C ATOM 29 CG LEU A 3 -64.802 -15.538 -12.415 1.00 38.25 C ATOM 30 CD1 LEU A 3 -63.913 -14.303 -12.380 1.00 38.55 C ATOM 31 CD2 LEU A 3 -64.137 -16.696 -11.684 1.00 38.67 C ATOM 0 H LEU A 3 -66.485 -12.434 -13.398 1.00 37.99 H new ATOM 0 HA LEU A 3 -66.964 -14.556 -13.700 1.00 37.71 H new ATOM 0 HB2 LEU A 3 -66.075 -14.840 -10.830 1.00 37.68 H new ATOM 0 HB3 LEU A 3 -66.725 -16.202 -11.721 1.00 37.68 H new ATOM 0 HG LEU A 3 -64.937 -15.817 -13.460 1.00 38.25 H new ATOM 0 HD11 LEU A 3 -62.937 -14.545 -12.801 1.00 38.55 H new ATOM 0 HD12 LEU A 3 -64.373 -13.507 -12.965 1.00 38.55 H new ATOM 0 HD13 LEU A 3 -63.791 -13.971 -11.349 1.00 38.55 H new ATOM 0 HD21 LEU A 3 -63.152 -16.879 -12.113 1.00 38.67 H new ATOM 0 HD22 LEU A 3 -64.032 -16.448 -10.628 1.00 38.67 H new ATOM 0 HD23 LEU A 3 -64.750 -17.591 -11.787 1.00 38.67 H new ATOM 43 N GLY A 4 -68.883 -14.116 -11.032 1.00 36.42 N ATOM 44 CA GLY A 4 -70.251 -14.195 -10.573 1.00 35.70 C ATOM 45 C GLY A 4 -70.820 -12.812 -10.346 1.00 35.18 C ATOM 46 O GLY A 4 -70.526 -12.169 -9.343 1.00 34.80 O ATOM 0 H GLY A 4 -68.221 -13.770 -10.338 1.00 36.42 H new ATOM 0 HA2 GLY A 4 -70.856 -14.726 -11.308 1.00 35.70 H new ATOM 0 HA3 GLY A 4 -70.297 -14.769 -9.647 1.00 35.70 H new ATOM 50 N SER A 5 -71.614 -12.340 -11.291 1.00 35.22 N ATOM 51 CA SER A 5 -72.152 -10.988 -11.225 1.00 34.83 C ATOM 52 C SER A 5 -73.485 -10.982 -10.483 1.00 34.57 C ATOM 53 O SER A 5 -74.534 -11.266 -11.065 1.00 34.37 O ATOM 54 CB SER A 5 -72.308 -10.429 -12.641 1.00 34.91 C ATOM 55 OG SER A 5 -72.586 -9.039 -12.631 1.00 35.05 O ATOM 0 H SER A 5 -71.902 -12.870 -12.113 1.00 35.22 H new ATOM 0 HA SER A 5 -71.461 -10.351 -10.673 1.00 34.83 H new ATOM 0 HB2 SER A 5 -71.395 -10.613 -13.207 1.00 34.91 H new ATOM 0 HB3 SER A 5 -73.112 -10.957 -13.153 1.00 34.91 H new ATOM 0 HG SER A 5 -72.678 -8.717 -13.552 1.00 35.05 H new ATOM 61 N THR A 6 -73.424 -10.690 -9.190 1.00 34.64 N ATOM 62 CA THR A 6 -74.611 -10.659 -8.353 1.00 34.51 C ATOM 63 C THR A 6 -75.501 -9.472 -8.711 1.00 33.81 C ATOM 64 O THR A 6 -76.676 -9.641 -9.037 1.00 33.44 O ATOM 65 CB THR A 6 -74.235 -10.570 -6.863 1.00 34.85 C ATOM 66 OG1 THR A 6 -73.201 -11.515 -6.555 1.00 35.00 O ATOM 67 CG2 THR A 6 -75.446 -10.827 -5.979 1.00 35.32 C ATOM 0 H THR A 6 -72.558 -10.470 -8.698 1.00 34.64 H new ATOM 0 HA THR A 6 -75.155 -11.586 -8.532 1.00 34.51 H new ATOM 0 HB THR A 6 -73.871 -9.561 -6.667 1.00 34.85 H new ATOM 0 HG1 THR A 6 -72.969 -11.448 -5.605 1.00 35.00 H new ATOM 0 HG21 THR A 6 -75.153 -10.758 -4.931 1.00 35.32 H new ATOM 0 HG22 THR A 6 -76.215 -10.084 -6.190 1.00 35.32 H new ATOM 0 HG23 THR A 6 -75.839 -11.823 -6.181 1.00 35.32 H new ATOM 75 N SER A 7 -74.929 -8.270 -8.653 1.00 33.71 N ATOM 76 CA SER A 7 -75.675 -7.048 -8.934 1.00 33.13 C ATOM 77 C SER A 7 -74.727 -5.914 -9.323 1.00 32.43 C ATOM 78 O SER A 7 -74.867 -5.318 -10.391 1.00 32.42 O ATOM 79 CB SER A 7 -76.501 -6.624 -7.710 1.00 33.49 C ATOM 80 OG SER A 7 -77.387 -7.650 -7.303 1.00 33.98 O ATOM 0 H SER A 7 -73.949 -8.118 -8.413 1.00 33.71 H new ATOM 0 HA SER A 7 -76.348 -7.252 -9.767 1.00 33.13 H new ATOM 0 HB2 SER A 7 -75.832 -6.372 -6.887 1.00 33.49 H new ATOM 0 HB3 SER A 7 -77.069 -5.724 -7.946 1.00 33.49 H new ATOM 0 HG SER A 7 -77.897 -7.351 -6.522 1.00 33.98 H new ATOM 86 N LEU A 8 -73.739 -5.655 -8.455 1.00 31.93 N ATOM 87 CA LEU A 8 -72.827 -4.522 -8.606 1.00 31.32 C ATOM 88 C LEU A 8 -73.616 -3.223 -8.767 1.00 30.56 C ATOM 89 O LEU A 8 -73.713 -2.668 -9.858 1.00 30.33 O ATOM 90 CB LEU A 8 -71.863 -4.728 -9.786 1.00 31.31 C ATOM 91 CG LEU A 8 -70.830 -5.849 -9.616 1.00 32.11 C ATOM 92 CD1 LEU A 8 -71.473 -7.222 -9.774 1.00 32.24 C ATOM 93 CD2 LEU A 8 -69.691 -5.678 -10.613 1.00 32.31 C ATOM 0 H LEU A 8 -73.553 -6.227 -7.631 1.00 31.93 H new ATOM 0 HA LEU A 8 -72.224 -4.453 -7.701 1.00 31.32 H new ATOM 0 HB2 LEU A 8 -72.452 -4.935 -10.680 1.00 31.31 H new ATOM 0 HB3 LEU A 8 -71.331 -3.793 -9.964 1.00 31.31 H new ATOM 0 HG LEU A 8 -70.426 -5.782 -8.606 1.00 32.11 H new ATOM 0 HD11 LEU A 8 -70.715 -7.995 -9.648 1.00 32.24 H new ATOM 0 HD12 LEU A 8 -72.250 -7.349 -9.020 1.00 32.24 H new ATOM 0 HD13 LEU A 8 -71.914 -7.305 -10.767 1.00 32.24 H new ATOM 0 HD21 LEU A 8 -68.967 -6.481 -10.479 1.00 32.31 H new ATOM 0 HD22 LEU A 8 -70.087 -5.712 -11.628 1.00 32.31 H new ATOM 0 HD23 LEU A 8 -69.203 -4.718 -10.446 1.00 32.31 H new ATOM 105 N VAL A 9 -74.187 -2.753 -7.660 1.00 30.24 N ATOM 106 CA VAL A 9 -75.065 -1.582 -7.678 1.00 29.57 C ATOM 107 C VAL A 9 -74.260 -0.286 -7.788 1.00 29.50 C ATOM 108 O VAL A 9 -74.808 0.802 -7.972 1.00 29.74 O ATOM 109 CB VAL A 9 -75.965 -1.555 -6.418 1.00 29.39 C ATOM 110 CG1 VAL A 9 -75.150 -1.269 -5.163 1.00 28.95 C ATOM 111 CG2 VAL A 9 -77.111 -0.561 -6.573 1.00 29.66 C ATOM 0 H VAL A 9 -74.058 -3.166 -6.736 1.00 30.24 H new ATOM 0 HA VAL A 9 -75.702 -1.658 -8.559 1.00 29.57 H new ATOM 0 HB VAL A 9 -76.405 -2.546 -6.308 1.00 29.39 H new ATOM 0 HG11 VAL A 9 -75.810 -1.256 -4.296 1.00 28.95 H new ATOM 0 HG12 VAL A 9 -74.396 -2.045 -5.034 1.00 28.95 H new ATOM 0 HG13 VAL A 9 -74.660 -0.300 -5.260 1.00 28.95 H new ATOM 0 HG21 VAL A 9 -77.723 -0.568 -5.671 1.00 29.66 H new ATOM 0 HG22 VAL A 9 -76.707 0.439 -6.730 1.00 29.66 H new ATOM 0 HG23 VAL A 9 -77.724 -0.843 -7.429 1.00 29.66 H new ATOM 121 N GLN A 10 -72.954 -0.429 -7.689 1.00 29.28 N ATOM 122 CA GLN A 10 -72.037 0.696 -7.806 1.00 29.30 C ATOM 123 C GLN A 10 -70.610 0.193 -7.982 1.00 28.60 C ATOM 124 O GLN A 10 -69.824 0.771 -8.731 1.00 28.70 O ATOM 125 CB GLN A 10 -72.137 1.630 -6.588 1.00 29.33 C ATOM 126 CG GLN A 10 -71.843 0.963 -5.250 1.00 29.73 C ATOM 127 CD GLN A 10 -71.958 1.921 -4.079 1.00 30.01 C ATOM 128 OE1 GLN A 10 -71.670 3.192 -4.320 1.00 30.47 O flip ATOM 129 NE2 GLN A 10 -72.304 1.525 -2.968 1.00 29.80 N flip ATOM 0 H GLN A 10 -72.495 -1.325 -7.525 1.00 29.28 H new ATOM 0 HA GLN A 10 -72.319 1.273 -8.687 1.00 29.30 H new ATOM 0 HB2 GLN A 10 -71.444 2.460 -6.725 1.00 29.33 H new ATOM 0 HB3 GLN A 10 -73.140 2.055 -6.554 1.00 29.33 H new ATOM 0 HG2 GLN A 10 -72.534 0.132 -5.103 1.00 29.73 H new ATOM 0 HG3 GLN A 10 -70.838 0.542 -5.272 1.00 29.73 H new ATOM 0 HE21 GLN A 10 -72.517 0.538 -2.822 1.00 29.80 H new ATOM 0 HE22 GLN A 10 -72.378 2.183 -2.192 1.00 29.80 H new ATOM 138 N GLY A 11 -70.286 -0.901 -7.303 1.00 27.99 N ATOM 139 CA GLY A 11 -68.959 -1.476 -7.413 1.00 27.37 C ATOM 140 C GLY A 11 -67.986 -0.858 -6.436 1.00 27.00 C ATOM 141 O GLY A 11 -67.295 0.106 -6.763 1.00 26.96 O ATOM 0 H GLY A 11 -70.919 -1.400 -6.678 1.00 27.99 H new ATOM 0 HA2 GLY A 11 -69.015 -2.550 -7.237 1.00 27.37 H new ATOM 0 HA3 GLY A 11 -68.588 -1.338 -8.429 1.00 27.37 H new ATOM 145 N LEU A 12 -67.930 -1.412 -5.236 1.00 26.82 N ATOM 146 CA LEU A 12 -67.063 -0.879 -4.198 1.00 26.55 C ATOM 147 C LEU A 12 -65.720 -1.601 -4.181 1.00 25.80 C ATOM 148 O LEU A 12 -65.654 -2.825 -4.264 1.00 25.54 O ATOM 149 CB LEU A 12 -67.736 -0.976 -2.826 1.00 27.23 C ATOM 150 CG LEU A 12 -68.889 0.001 -2.599 1.00 28.12 C ATOM 151 CD1 LEU A 12 -69.497 -0.216 -1.225 1.00 28.61 C ATOM 152 CD2 LEU A 12 -68.406 1.439 -2.758 1.00 28.64 C ATOM 0 H LEU A 12 -68.473 -2.229 -4.957 1.00 26.82 H new ATOM 0 HA LEU A 12 -66.882 0.172 -4.423 1.00 26.55 H new ATOM 0 HB2 LEU A 12 -68.109 -1.991 -2.693 1.00 27.23 H new ATOM 0 HB3 LEU A 12 -66.982 -0.810 -2.056 1.00 27.23 H new ATOM 0 HG LEU A 12 -69.659 -0.183 -3.348 1.00 28.12 H new ATOM 0 HD11 LEU A 12 -70.317 0.486 -1.075 1.00 28.61 H new ATOM 0 HD12 LEU A 12 -69.874 -1.236 -1.151 1.00 28.61 H new ATOM 0 HD13 LEU A 12 -68.737 -0.054 -0.461 1.00 28.61 H new ATOM 0 HD21 LEU A 12 -69.239 2.123 -2.593 1.00 28.64 H new ATOM 0 HD22 LEU A 12 -67.621 1.642 -2.030 1.00 28.64 H new ATOM 0 HD23 LEU A 12 -68.013 1.582 -3.765 1.00 28.64 H new ATOM 164 N THR A 13 -64.662 -0.819 -4.070 1.00 25.53 N ATOM 165 CA THR A 13 -63.300 -1.338 -4.044 1.00 24.91 C ATOM 166 C THR A 13 -62.862 -1.868 -2.662 1.00 24.79 C ATOM 167 O THR A 13 -62.150 -2.872 -2.602 1.00 24.22 O ATOM 168 CB THR A 13 -62.318 -0.253 -4.518 1.00 24.58 C ATOM 169 OG1 THR A 13 -62.718 1.020 -3.997 1.00 24.93 O ATOM 170 CG2 THR A 13 -62.282 -0.196 -6.036 1.00 24.35 C ATOM 0 H THR A 13 -64.719 0.197 -3.995 1.00 25.53 H new ATOM 0 HA THR A 13 -63.286 -2.192 -4.721 1.00 24.91 H new ATOM 0 HB THR A 13 -61.321 -0.499 -4.153 1.00 24.58 H new ATOM 0 HG1 THR A 13 -62.090 1.709 -4.299 1.00 24.93 H new ATOM 0 HG21 THR A 13 -61.582 0.577 -6.355 1.00 24.35 H new ATOM 0 HG22 THR A 13 -61.961 -1.161 -6.429 1.00 24.35 H new ATOM 0 HG23 THR A 13 -63.277 0.037 -6.415 1.00 24.35 H new ATOM 178 N PRO A 14 -63.253 -1.214 -1.537 1.00 25.42 N ATOM 179 CA PRO A 14 -62.889 -1.680 -0.187 1.00 25.50 C ATOM 180 C PRO A 14 -63.215 -3.163 0.100 1.00 24.95 C ATOM 181 O PRO A 14 -62.339 -3.889 0.569 1.00 24.63 O ATOM 182 CB PRO A 14 -63.690 -0.762 0.747 1.00 26.39 C ATOM 183 CG PRO A 14 -63.955 0.469 -0.045 1.00 26.81 C ATOM 184 CD PRO A 14 -64.023 0.048 -1.480 1.00 26.21 C ATOM 0 HA PRO A 14 -61.808 -1.630 -0.053 1.00 25.50 H new ATOM 0 HB2 PRO A 14 -64.620 -1.235 1.061 1.00 26.39 H new ATOM 0 HB3 PRO A 14 -63.127 -0.534 1.652 1.00 26.39 H new ATOM 0 HG2 PRO A 14 -64.889 0.936 0.266 1.00 26.81 H new ATOM 0 HG3 PRO A 14 -63.165 1.204 0.106 1.00 26.81 H new ATOM 0 HD2 PRO A 14 -65.054 -0.102 -1.800 1.00 26.21 H new ATOM 0 HD3 PRO A 14 -63.592 0.805 -2.136 1.00 26.21 H new ATOM 192 N PRO A 15 -64.462 -3.642 -0.156 1.00 24.93 N ATOM 193 CA PRO A 15 -64.864 -5.020 0.190 1.00 24.50 C ATOM 194 C PRO A 15 -63.915 -6.121 -0.329 1.00 23.52 C ATOM 195 O PRO A 15 -63.419 -6.912 0.473 1.00 23.07 O ATOM 196 CB PRO A 15 -66.258 -5.157 -0.431 1.00 25.00 C ATOM 197 CG PRO A 15 -66.777 -3.763 -0.476 1.00 25.60 C ATOM 198 CD PRO A 15 -65.585 -2.901 -0.770 1.00 25.43 C ATOM 0 HA PRO A 15 -64.839 -5.164 1.270 1.00 24.50 H new ATOM 0 HB2 PRO A 15 -66.209 -5.596 -1.428 1.00 25.00 H new ATOM 0 HB3 PRO A 15 -66.900 -5.802 0.170 1.00 25.00 H new ATOM 0 HG2 PRO A 15 -67.540 -3.653 -1.246 1.00 25.60 H new ATOM 0 HG3 PRO A 15 -67.238 -3.485 0.472 1.00 25.60 H new ATOM 0 HD2 PRO A 15 -65.440 -2.769 -1.842 1.00 25.43 H new ATOM 0 HD3 PRO A 15 -65.693 -1.906 -0.338 1.00 25.43 H new ATOM 206 N PRO A 16 -63.637 -6.219 -1.652 1.00 23.25 N ATOM 207 CA PRO A 16 -62.807 -7.305 -2.168 1.00 22.42 C ATOM 208 C PRO A 16 -61.316 -7.088 -1.937 1.00 22.03 C ATOM 209 O PRO A 16 -60.598 -8.032 -1.610 1.00 22.10 O ATOM 210 CB PRO A 16 -63.133 -7.325 -3.657 1.00 22.52 C ATOM 211 CG PRO A 16 -63.532 -5.931 -3.991 1.00 23.30 C ATOM 212 CD PRO A 16 -64.099 -5.321 -2.736 1.00 23.82 C ATOM 0 HA PRO A 16 -63.018 -8.245 -1.659 1.00 22.42 H new ATOM 0 HB2 PRO A 16 -62.270 -7.638 -4.244 1.00 22.52 H new ATOM 0 HB3 PRO A 16 -63.938 -8.027 -3.874 1.00 22.52 H new ATOM 0 HG2 PRO A 16 -62.674 -5.359 -4.344 1.00 23.30 H new ATOM 0 HG3 PRO A 16 -64.272 -5.923 -4.792 1.00 23.30 H new ATOM 0 HD2 PRO A 16 -63.738 -4.303 -2.590 1.00 23.82 H new ATOM 0 HD3 PRO A 16 -65.187 -5.271 -2.774 1.00 23.82 H new ATOM 220 N ASP A 17 -60.877 -5.842 -2.080 1.00 21.73 N ATOM 221 CA ASP A 17 -59.459 -5.476 -2.015 1.00 21.48 C ATOM 222 C ASP A 17 -58.613 -6.304 -2.978 1.00 20.70 C ATOM 223 O ASP A 17 -58.247 -7.445 -2.703 1.00 20.31 O ATOM 224 CB ASP A 17 -58.879 -5.599 -0.601 1.00 21.48 C ATOM 225 CG ASP A 17 -57.438 -5.116 -0.544 1.00 21.55 C ATOM 226 OD1 ASP A 17 -56.531 -5.875 -0.954 1.00 21.44 O ATOM 227 OD2 ASP A 17 -57.212 -3.964 -0.119 1.00 21.80 O ATOM 0 H ASP A 17 -61.497 -5.049 -2.246 1.00 21.73 H new ATOM 0 HA ASP A 17 -59.417 -4.428 -2.311 1.00 21.48 H new ATOM 0 HB2 ASP A 17 -59.486 -5.018 0.094 1.00 21.48 H new ATOM 0 HB3 ASP A 17 -58.928 -6.638 -0.276 1.00 21.48 H new ATOM 232 N PHE A 18 -58.310 -5.725 -4.114 1.00 20.58 N ATOM 233 CA PHE A 18 -57.402 -6.348 -5.060 1.00 19.96 C ATOM 234 C PHE A 18 -56.057 -5.634 -5.050 1.00 19.47 C ATOM 235 O PHE A 18 -55.328 -5.640 -6.040 1.00 19.17 O ATOM 236 CB PHE A 18 -58.013 -6.357 -6.467 1.00 20.48 C ATOM 237 CG PHE A 18 -58.554 -5.026 -6.916 1.00 20.66 C ATOM 238 CD1 PHE A 18 -59.846 -4.644 -6.584 1.00 21.10 C ATOM 239 CD2 PHE A 18 -57.779 -4.165 -7.678 1.00 20.54 C ATOM 240 CE1 PHE A 18 -60.353 -3.426 -6.996 1.00 21.40 C ATOM 241 CE2 PHE A 18 -58.281 -2.944 -8.094 1.00 20.84 C ATOM 242 CZ PHE A 18 -59.571 -2.576 -7.754 1.00 21.27 C ATOM 0 H PHE A 18 -58.677 -4.821 -4.411 1.00 20.58 H new ATOM 0 HA PHE A 18 -57.239 -7.383 -4.760 1.00 19.96 H new ATOM 0 HB2 PHE A 18 -57.255 -6.686 -7.178 1.00 20.48 H new ATOM 0 HB3 PHE A 18 -58.818 -7.092 -6.496 1.00 20.48 H new ATOM 0 HD1 PHE A 18 -60.463 -5.307 -5.996 1.00 21.10 H new ATOM 0 HD2 PHE A 18 -56.773 -4.450 -7.950 1.00 20.54 H new ATOM 0 HE1 PHE A 18 -61.359 -3.139 -6.726 1.00 21.40 H new ATOM 0 HE2 PHE A 18 -57.667 -2.279 -8.683 1.00 20.84 H new ATOM 0 HZ PHE A 18 -59.966 -1.625 -8.081 1.00 21.27 H new ATOM 252 N ASN A 19 -55.731 -5.032 -3.912 1.00 19.51 N ATOM 253 CA ASN A 19 -54.461 -4.341 -3.745 1.00 19.22 C ATOM 254 C ASN A 19 -53.479 -5.235 -3.002 1.00 18.44 C ATOM 255 O ASN A 19 -52.282 -5.239 -3.291 1.00 18.17 O ATOM 256 CB ASN A 19 -54.662 -3.023 -2.987 1.00 19.70 C ATOM 257 CG ASN A 19 -53.361 -2.286 -2.729 1.00 20.22 C ATOM 258 OD1 ASN A 19 -52.747 -2.432 -1.670 1.00 20.50 O ATOM 259 ND2 ASN A 19 -52.936 -1.481 -3.692 1.00 20.47 N ATOM 0 H ASN A 19 -56.333 -5.009 -3.089 1.00 19.51 H new ATOM 0 HA ASN A 19 -54.054 -4.111 -4.730 1.00 19.22 H new ATOM 0 HB2 ASN A 19 -55.331 -2.380 -3.558 1.00 19.70 H new ATOM 0 HB3 ASN A 19 -55.152 -3.228 -2.035 1.00 19.70 H new ATOM 0 HD21 ASN A 19 -52.071 -0.954 -3.572 1.00 20.47 H new ATOM 0 HD22 ASN A 19 -53.474 -1.388 -4.554 1.00 20.47 H new ATOM 266 N GLN A 20 -53.994 -5.999 -2.045 1.00 18.18 N ATOM 267 CA GLN A 20 -53.171 -6.920 -1.277 1.00 17.53 C ATOM 268 C GLN A 20 -53.870 -8.262 -1.108 1.00 17.18 C ATOM 269 O GLN A 20 -53.214 -9.287 -0.924 1.00 16.92 O ATOM 270 CB GLN A 20 -52.835 -6.329 0.093 1.00 17.65 C ATOM 271 CG GLN A 20 -54.062 -6.033 0.933 1.00 18.17 C ATOM 272 CD GLN A 20 -53.726 -5.430 2.280 1.00 18.45 C ATOM 273 OE1 GLN A 20 -52.679 -5.716 2.861 1.00 18.40 O ATOM 274 NE2 GLN A 20 -54.612 -4.590 2.787 1.00 18.86 N ATOM 0 H GLN A 20 -54.980 -5.997 -1.784 1.00 18.18 H new ATOM 0 HA GLN A 20 -52.244 -7.079 -1.828 1.00 17.53 H new ATOM 0 HB2 GLN A 20 -52.192 -7.024 0.633 1.00 17.65 H new ATOM 0 HB3 GLN A 20 -52.266 -5.409 -0.045 1.00 17.65 H new ATOM 0 HG2 GLN A 20 -54.713 -5.350 0.387 1.00 18.17 H new ATOM 0 HG3 GLN A 20 -54.623 -6.955 1.084 1.00 18.17 H new ATOM 0 HE21 GLN A 20 -55.468 -4.380 2.273 1.00 18.86 H new ATOM 0 HE22 GLN A 20 -54.440 -4.152 3.692 1.00 18.86 H new ATOM 283 N CYS A 21 -55.204 -8.231 -1.130 1.00 17.29 N ATOM 284 CA CYS A 21 -56.035 -9.434 -1.056 1.00 17.13 C ATOM 285 C CYS A 21 -55.793 -10.230 0.231 1.00 16.75 C ATOM 286 O CYS A 21 -56.178 -11.395 0.329 1.00 16.28 O ATOM 287 CB CYS A 21 -55.799 -10.310 -2.285 1.00 16.85 C ATOM 288 SG CYS A 21 -56.238 -9.502 -3.838 1.00 17.55 S ATOM 0 H CYS A 21 -55.741 -7.366 -1.200 1.00 17.29 H new ATOM 0 HA CYS A 21 -57.077 -9.113 -1.038 1.00 17.13 H new ATOM 0 HB2 CYS A 21 -54.749 -10.599 -2.319 1.00 16.85 H new ATOM 0 HB3 CYS A 21 -56.379 -11.227 -2.185 1.00 16.85 H new ATOM 0 HG CYS A 21 -57.240 -8.698 -3.641 1.00 17.55 H new ATOM 294 N LEU A 22 -55.153 -9.575 1.211 1.00 17.08 N ATOM 295 CA LEU A 22 -54.907 -10.146 2.542 1.00 16.96 C ATOM 296 C LEU A 22 -54.109 -11.458 2.483 1.00 16.12 C ATOM 297 O LEU A 22 -54.129 -12.241 3.430 1.00 16.24 O ATOM 298 CB LEU A 22 -56.234 -10.395 3.289 1.00 17.70 C ATOM 299 CG LEU A 22 -57.018 -9.144 3.729 1.00 18.56 C ATOM 300 CD1 LEU A 22 -56.103 -8.153 4.428 1.00 18.72 C ATOM 301 CD2 LEU A 22 -57.724 -8.490 2.548 1.00 19.08 C ATOM 0 H LEU A 22 -54.790 -8.628 1.101 1.00 17.08 H new ATOM 0 HA LEU A 22 -54.311 -9.411 3.082 1.00 16.96 H new ATOM 0 HB2 LEU A 22 -56.880 -10.995 2.647 1.00 17.70 H new ATOM 0 HB3 LEU A 22 -56.020 -10.993 4.175 1.00 17.70 H new ATOM 0 HG LEU A 22 -57.782 -9.462 4.438 1.00 18.56 H new ATOM 0 HD11 LEU A 22 -56.678 -7.277 4.730 1.00 18.72 H new ATOM 0 HD12 LEU A 22 -55.665 -8.621 5.310 1.00 18.72 H new ATOM 0 HD13 LEU A 22 -55.309 -7.848 3.747 1.00 18.72 H new ATOM 0 HD21 LEU A 22 -58.268 -7.610 2.891 1.00 19.08 H new ATOM 0 HD22 LEU A 22 -56.987 -8.192 1.803 1.00 19.08 H new ATOM 0 HD23 LEU A 22 -58.423 -9.199 2.104 1.00 19.08 H new ATOM 313 N LYS A 23 -53.360 -11.687 1.407 1.00 15.37 N ATOM 314 CA LYS A 23 -52.681 -12.973 1.244 1.00 14.61 C ATOM 315 C LYS A 23 -51.287 -12.994 1.864 1.00 14.25 C ATOM 316 O LYS A 23 -50.378 -13.642 1.345 1.00 13.68 O ATOM 317 CB LYS A 23 -52.638 -13.399 -0.223 1.00 14.14 C ATOM 318 CG LYS A 23 -52.813 -12.266 -1.212 1.00 14.53 C ATOM 319 CD LYS A 23 -51.496 -11.767 -1.770 1.00 14.23 C ATOM 320 CE LYS A 23 -50.575 -11.115 -0.748 1.00 14.39 C ATOM 321 NZ LYS A 23 -49.283 -10.749 -1.387 1.00 14.38 N ATOM 0 H LYS A 23 -53.209 -11.019 0.651 1.00 15.37 H new ATOM 0 HA LYS A 23 -53.275 -13.702 1.794 1.00 14.61 H new ATOM 0 HB2 LYS A 23 -51.685 -13.890 -0.418 1.00 14.14 H new ATOM 0 HB3 LYS A 23 -53.419 -14.139 -0.396 1.00 14.14 H new ATOM 0 HG2 LYS A 23 -53.447 -12.601 -2.033 1.00 14.53 H new ATOM 0 HG3 LYS A 23 -53.332 -11.441 -0.724 1.00 14.53 H new ATOM 0 HD2 LYS A 23 -50.971 -12.605 -2.229 1.00 14.23 H new ATOM 0 HD3 LYS A 23 -51.703 -11.048 -2.563 1.00 14.23 H new ATOM 0 HE2 LYS A 23 -51.050 -10.226 -0.334 1.00 14.39 H new ATOM 0 HE3 LYS A 23 -50.398 -11.798 0.083 1.00 14.39 H new ATOM 0 HZ1 LYS A 23 -48.636 -10.367 -0.668 1.00 14.38 H new ATOM 0 HZ2 LYS A 23 -48.859 -11.594 -1.821 1.00 14.38 H new ATOM 0 HZ3 LYS A 23 -49.450 -10.030 -2.120 1.00 14.38 H new ATOM 335 N ASN A 24 -51.129 -12.250 2.951 1.00 14.73 N ATOM 336 CA ASN A 24 -50.031 -12.463 3.905 1.00 14.67 C ATOM 337 C ASN A 24 -48.641 -12.092 3.387 1.00 13.87 C ATOM 338 O ASN A 24 -47.685 -12.041 4.156 1.00 14.11 O ATOM 339 CB ASN A 24 -50.056 -13.912 4.356 1.00 14.94 C ATOM 340 CG ASN A 24 -49.105 -14.213 5.498 1.00 15.80 C ATOM 341 OD1 ASN A 24 -48.867 -13.219 6.328 1.00 16.18 O flip ATOM 342 ND2 ASN A 24 -48.604 -15.330 5.635 1.00 16.23 N flip ATOM 0 H ASN A 24 -51.752 -11.483 3.202 1.00 14.73 H new ATOM 0 HA ASN A 24 -50.206 -11.780 4.736 1.00 14.67 H new ATOM 0 HB2 ASN A 24 -51.070 -14.170 4.662 1.00 14.94 H new ATOM 0 HB3 ASN A 24 -49.806 -14.551 3.509 1.00 14.94 H new ATOM 0 HD21 ASN A 24 -48.818 -16.070 4.966 1.00 16.23 H new ATOM 0 HD22 ASN A 24 -47.976 -15.515 6.417 1.00 16.23 H new ATOM 349 N SER A 25 -48.508 -11.819 2.111 1.00 13.05 N ATOM 350 CA SER A 25 -47.249 -11.289 1.609 1.00 12.28 C ATOM 351 C SER A 25 -47.391 -9.824 1.177 1.00 12.15 C ATOM 352 O SER A 25 -47.308 -9.518 -0.009 1.00 12.30 O ATOM 353 CB SER A 25 -46.731 -12.149 0.455 1.00 12.37 C ATOM 354 OG SER A 25 -46.397 -13.453 0.901 1.00 12.97 O ATOM 0 H SER A 25 -49.236 -11.949 1.408 1.00 13.05 H new ATOM 0 HA SER A 25 -46.522 -11.323 2.421 1.00 12.28 H new ATOM 0 HB2 SER A 25 -47.489 -12.211 -0.325 1.00 12.37 H new ATOM 0 HB3 SER A 25 -45.854 -11.677 0.011 1.00 12.37 H new ATOM 0 HG SER A 25 -45.506 -13.441 1.309 1.00 12.97 H new ATOM 360 N PRO A 26 -47.677 -8.905 2.122 1.00 12.10 N ATOM 361 CA PRO A 26 -47.662 -7.471 1.841 1.00 12.18 C ATOM 362 C PRO A 26 -46.235 -6.947 1.657 1.00 11.48 C ATOM 363 O PRO A 26 -45.841 -6.576 0.551 1.00 11.60 O ATOM 364 CB PRO A 26 -48.329 -6.838 3.075 1.00 12.53 C ATOM 365 CG PRO A 26 -48.881 -7.977 3.883 1.00 12.59 C ATOM 366 CD PRO A 26 -48.089 -9.185 3.505 1.00 12.23 C ATOM 0 HA PRO A 26 -48.180 -7.229 0.913 1.00 12.18 H new ATOM 0 HB2 PRO A 26 -47.608 -6.263 3.655 1.00 12.53 H new ATOM 0 HB3 PRO A 26 -49.121 -6.150 2.779 1.00 12.53 H new ATOM 0 HG2 PRO A 26 -48.794 -7.774 4.950 1.00 12.59 H new ATOM 0 HG3 PRO A 26 -49.940 -8.125 3.672 1.00 12.59 H new ATOM 0 HD2 PRO A 26 -47.229 -9.322 4.160 1.00 12.23 H new ATOM 0 HD3 PRO A 26 -48.687 -10.094 3.570 1.00 12.23 H new ATOM 374 N ASP A 27 -45.448 -6.954 2.732 1.00 10.92 N ATOM 375 CA ASP A 27 -44.075 -6.460 2.671 1.00 10.34 C ATOM 376 C ASP A 27 -43.059 -7.576 2.847 1.00 9.92 C ATOM 377 O ASP A 27 -42.661 -7.902 3.965 1.00 10.16 O ATOM 378 CB ASP A 27 -43.808 -5.385 3.726 1.00 10.24 C ATOM 379 CG ASP A 27 -44.499 -4.076 3.418 1.00 10.06 C ATOM 380 OD1 ASP A 27 -44.000 -3.331 2.547 1.00 10.17 O ATOM 381 OD2 ASP A 27 -45.535 -3.781 4.040 1.00 9.96 O ATOM 0 H ASP A 27 -45.736 -7.294 3.650 1.00 10.92 H new ATOM 0 HA ASP A 27 -43.961 -6.026 1.678 1.00 10.34 H new ATOM 0 HB2 ASP A 27 -44.142 -5.746 4.699 1.00 10.24 H new ATOM 0 HB3 ASP A 27 -42.734 -5.215 3.801 1.00 10.24 H new ATOM 386 N GLU A 28 -42.655 -8.171 1.743 1.00 9.51 N ATOM 387 CA GLU A 28 -41.537 -9.099 1.746 1.00 9.33 C ATOM 388 C GLU A 28 -40.613 -8.797 0.572 1.00 8.90 C ATOM 389 O GLU A 28 -40.312 -9.660 -0.249 1.00 9.13 O ATOM 390 CB GLU A 28 -42.006 -10.559 1.727 1.00 10.13 C ATOM 391 CG GLU A 28 -43.087 -10.865 0.703 1.00 10.77 C ATOM 392 CD GLU A 28 -43.337 -12.352 0.553 1.00 11.21 C ATOM 393 OE1 GLU A 28 -43.727 -12.991 1.548 1.00 11.54 O ATOM 394 OE2 GLU A 28 -43.126 -12.890 -0.556 1.00 11.40 O ATOM 0 H GLU A 28 -43.084 -8.029 0.829 1.00 9.51 H new ATOM 0 HA GLU A 28 -40.982 -8.963 2.674 1.00 9.33 H new ATOM 0 HB2 GLU A 28 -41.147 -11.200 1.531 1.00 10.13 H new ATOM 0 HB3 GLU A 28 -42.379 -10.820 2.718 1.00 10.13 H new ATOM 0 HG2 GLU A 28 -44.013 -10.372 0.998 1.00 10.77 H new ATOM 0 HG3 GLU A 28 -42.798 -10.449 -0.262 1.00 10.77 H new ATOM 401 N LYS A 29 -40.160 -7.551 0.512 1.00 8.50 N ATOM 402 CA LYS A 29 -39.276 -7.102 -0.552 1.00 8.24 C ATOM 403 C LYS A 29 -37.818 -7.158 -0.091 1.00 7.81 C ATOM 404 O LYS A 29 -36.950 -6.526 -0.691 1.00 7.74 O ATOM 405 CB LYS A 29 -39.624 -5.667 -0.989 1.00 8.29 C ATOM 406 CG LYS A 29 -40.991 -5.517 -1.651 1.00 8.34 C ATOM 407 CD LYS A 29 -42.119 -5.479 -0.630 1.00 8.62 C ATOM 408 CE LYS A 29 -42.198 -4.133 0.075 1.00 8.72 C ATOM 409 NZ LYS A 29 -42.783 -3.070 -0.793 1.00 9.11 N ATOM 0 H LYS A 29 -40.394 -6.830 1.194 1.00 8.50 H new ATOM 0 HA LYS A 29 -39.411 -7.769 -1.404 1.00 8.24 H new ATOM 0 HB2 LYS A 29 -39.585 -5.016 -0.116 1.00 8.29 H new ATOM 0 HB3 LYS A 29 -38.859 -5.317 -1.682 1.00 8.29 H new ATOM 0 HG2 LYS A 29 -41.008 -4.603 -2.244 1.00 8.34 H new ATOM 0 HG3 LYS A 29 -41.153 -6.346 -2.339 1.00 8.34 H new ATOM 0 HD2 LYS A 29 -43.067 -5.685 -1.128 1.00 8.62 H new ATOM 0 HD3 LYS A 29 -41.968 -6.267 0.108 1.00 8.62 H new ATOM 0 HE2 LYS A 29 -42.801 -4.234 0.978 1.00 8.72 H new ATOM 0 HE3 LYS A 29 -41.199 -3.832 0.390 1.00 8.72 H new ATOM 0 HZ1 LYS A 29 -42.926 -2.205 -0.234 1.00 9.11 H new ATOM 0 HZ2 LYS A 29 -42.135 -2.870 -1.581 1.00 9.11 H new ATOM 0 HZ3 LYS A 29 -43.697 -3.393 -1.170 1.00 9.11 H new ATOM 423 N PHE A 30 -37.580 -7.894 1.004 1.00 7.78 N ATOM 424 CA PHE A 30 -36.234 -8.094 1.572 1.00 7.70 C ATOM 425 C PHE A 30 -35.724 -6.806 2.222 1.00 7.44 C ATOM 426 O PHE A 30 -35.469 -6.761 3.426 1.00 7.61 O ATOM 427 CB PHE A 30 -35.247 -8.596 0.510 1.00 7.98 C ATOM 428 CG PHE A 30 -33.911 -9.012 1.071 1.00 8.78 C ATOM 429 CD1 PHE A 30 -33.749 -10.247 1.678 1.00 9.49 C ATOM 430 CD2 PHE A 30 -32.817 -8.164 0.990 1.00 9.03 C ATOM 431 CE1 PHE A 30 -32.521 -10.627 2.188 1.00 10.39 C ATOM 432 CE2 PHE A 30 -31.589 -8.542 1.500 1.00 9.98 C ATOM 433 CZ PHE A 30 -31.449 -9.784 2.112 1.00 10.64 C ATOM 0 H PHE A 30 -38.317 -8.370 1.524 1.00 7.78 H new ATOM 0 HA PHE A 30 -36.309 -8.861 2.342 1.00 7.70 H new ATOM 0 HB2 PHE A 30 -35.691 -9.443 -0.014 1.00 7.98 H new ATOM 0 HB3 PHE A 30 -35.092 -7.810 -0.229 1.00 7.98 H new ATOM 0 HD1 PHE A 30 -34.590 -10.920 1.754 1.00 9.49 H new ATOM 0 HD2 PHE A 30 -32.926 -7.196 0.523 1.00 9.03 H new ATOM 0 HE1 PHE A 30 -32.409 -11.597 2.650 1.00 10.39 H new ATOM 0 HE2 PHE A 30 -30.742 -7.876 1.424 1.00 9.98 H new ATOM 0 HZ PHE A 30 -30.496 -10.080 2.525 1.00 10.64 H new ATOM 443 N PHE A 31 -35.598 -5.754 1.423 1.00 7.30 N ATOM 444 CA PHE A 31 -35.280 -4.439 1.934 1.00 7.33 C ATOM 445 C PHE A 31 -36.576 -3.777 2.355 1.00 7.51 C ATOM 446 O PHE A 31 -36.576 -2.736 2.997 1.00 7.81 O ATOM 447 CB PHE A 31 -34.578 -3.586 0.867 1.00 7.36 C ATOM 448 CG PHE A 31 -33.262 -4.144 0.395 1.00 7.57 C ATOM 449 CD1 PHE A 31 -32.097 -3.900 1.104 1.00 7.70 C ATOM 450 CD2 PHE A 31 -33.191 -4.917 -0.755 1.00 7.97 C ATOM 451 CE1 PHE A 31 -30.888 -4.411 0.674 1.00 8.21 C ATOM 452 CE2 PHE A 31 -31.983 -5.430 -1.190 1.00 8.50 C ATOM 453 CZ PHE A 31 -30.827 -5.166 -0.482 1.00 8.62 C ATOM 0 H PHE A 31 -35.714 -5.794 0.410 1.00 7.30 H new ATOM 0 HA PHE A 31 -34.600 -4.530 2.781 1.00 7.33 H new ATOM 0 HB2 PHE A 31 -35.242 -3.479 0.010 1.00 7.36 H new ATOM 0 HB3 PHE A 31 -34.412 -2.586 1.269 1.00 7.36 H new ATOM 0 HD1 PHE A 31 -32.135 -3.303 2.003 1.00 7.70 H new ATOM 0 HD2 PHE A 31 -34.090 -5.120 -1.317 1.00 7.97 H new ATOM 0 HE1 PHE A 31 -29.989 -4.220 1.242 1.00 8.21 H new ATOM 0 HE2 PHE A 31 -31.943 -6.037 -2.083 1.00 8.50 H new ATOM 0 HZ PHE A 31 -29.879 -5.548 -0.830 1.00 8.62 H new ATOM 463 N SER A 32 -37.679 -4.405 1.945 1.00 7.60 N ATOM 464 CA SER A 32 -39.023 -3.970 2.306 1.00 8.12 C ATOM 465 C SER A 32 -39.286 -2.551 1.819 1.00 8.57 C ATOM 466 O SER A 32 -40.141 -1.847 2.351 1.00 9.15 O ATOM 467 CB SER A 32 -39.210 -4.084 3.816 1.00 8.65 C ATOM 468 OG SER A 32 -38.937 -5.408 4.249 1.00 9.33 O ATOM 0 H SER A 32 -37.662 -5.234 1.350 1.00 7.60 H new ATOM 0 HA SER A 32 -39.750 -4.618 1.816 1.00 8.12 H new ATOM 0 HB2 SER A 32 -38.547 -3.384 4.325 1.00 8.65 H new ATOM 0 HB3 SER A 32 -40.230 -3.810 4.084 1.00 8.65 H new ATOM 0 HG SER A 32 -39.059 -5.466 5.220 1.00 9.33 H new ATOM 474 N ASP A 33 -38.575 -2.181 0.759 1.00 8.53 N ATOM 475 CA ASP A 33 -38.626 -0.838 0.187 1.00 9.12 C ATOM 476 C ASP A 33 -38.160 0.202 1.203 1.00 9.48 C ATOM 477 O ASP A 33 -38.947 0.781 1.954 1.00 10.03 O ATOM 478 CB ASP A 33 -40.022 -0.494 -0.344 1.00 9.83 C ATOM 479 CG ASP A 33 -40.023 0.770 -1.183 1.00 10.39 C ATOM 480 OD1 ASP A 33 -38.922 1.283 -1.498 1.00 10.73 O ATOM 481 OD2 ASP A 33 -41.120 1.246 -1.547 1.00 10.68 O ATOM 0 H ASP A 33 -37.941 -2.810 0.267 1.00 8.53 H new ATOM 0 HA ASP A 33 -37.944 -0.821 -0.663 1.00 9.12 H new ATOM 0 HB2 ASP A 33 -40.396 -1.325 -0.942 1.00 9.83 H new ATOM 0 HB3 ASP A 33 -40.707 -0.371 0.495 1.00 9.83 H new ATOM 486 N PHE A 34 -36.857 0.409 1.219 1.00 9.37 N ATOM 487 CA PHE A 34 -36.231 1.363 2.110 1.00 9.94 C ATOM 488 C PHE A 34 -35.175 2.142 1.345 1.00 9.93 C ATOM 489 O PHE A 34 -34.746 3.217 1.763 1.00 10.33 O ATOM 490 CB PHE A 34 -35.595 0.654 3.312 1.00 9.89 C ATOM 491 CG PHE A 34 -36.496 0.569 4.514 1.00 10.10 C ATOM 492 CD1 PHE A 34 -36.924 1.715 5.164 1.00 10.09 C ATOM 493 CD2 PHE A 34 -36.924 -0.659 4.984 1.00 10.53 C ATOM 494 CE1 PHE A 34 -37.763 1.637 6.262 1.00 10.50 C ATOM 495 CE2 PHE A 34 -37.765 -0.745 6.081 1.00 10.95 C ATOM 496 CZ PHE A 34 -38.140 0.421 6.752 1.00 10.92 C ATOM 0 H PHE A 34 -36.202 -0.083 0.611 1.00 9.37 H new ATOM 0 HA PHE A 34 -36.992 2.046 2.487 1.00 9.94 H new ATOM 0 HB2 PHE A 34 -35.305 -0.354 3.015 1.00 9.89 H new ATOM 0 HB3 PHE A 34 -34.682 1.180 3.591 1.00 9.89 H new ATOM 0 HD1 PHE A 34 -36.599 2.682 4.809 1.00 10.09 H new ATOM 0 HD2 PHE A 34 -36.598 -1.562 4.490 1.00 10.53 H new ATOM 0 HE1 PHE A 34 -38.120 2.541 6.732 1.00 10.50 H new ATOM 0 HE2 PHE A 34 -38.128 -1.706 6.415 1.00 10.95 H new ATOM 0 HZ PHE A 34 -38.727 0.360 7.657 1.00 10.92 H new ATOM 506 N SER A 35 -34.762 1.582 0.217 1.00 9.65 N ATOM 507 CA SER A 35 -33.783 2.214 -0.642 1.00 9.74 C ATOM 508 C SER A 35 -34.464 2.874 -1.842 1.00 9.44 C ATOM 509 O SER A 35 -33.789 3.412 -2.722 1.00 9.50 O ATOM 510 CB SER A 35 -32.764 1.166 -1.097 1.00 10.04 C ATOM 511 OG SER A 35 -33.419 -0.024 -1.512 1.00 10.16 O ATOM 0 H SER A 35 -35.097 0.681 -0.123 1.00 9.65 H new ATOM 0 HA SER A 35 -33.265 2.997 -0.088 1.00 9.74 H new ATOM 0 HB2 SER A 35 -32.168 1.564 -1.918 1.00 10.04 H new ATOM 0 HB3 SER A 35 -32.076 0.943 -0.282 1.00 10.04 H new ATOM 0 HG SER A 35 -32.755 -0.732 -1.648 1.00 10.16 H new ATOM 517 N ASN A 36 -35.807 2.814 -1.868 1.00 9.30 N ATOM 518 CA ASN A 36 -36.626 3.455 -2.910 1.00 9.24 C ATOM 519 C ASN A 36 -36.521 2.726 -4.252 1.00 8.77 C ATOM 520 O ASN A 36 -37.523 2.505 -4.930 1.00 8.94 O ATOM 521 CB ASN A 36 -36.230 4.924 -3.055 1.00 9.46 C ATOM 522 CG ASN A 36 -37.065 5.689 -4.069 1.00 10.11 C ATOM 523 OD1 ASN A 36 -36.552 6.572 -4.761 1.00 10.51 O ATOM 524 ND2 ASN A 36 -38.352 5.399 -4.145 1.00 10.41 N ATOM 0 H ASN A 36 -36.355 2.318 -1.165 1.00 9.30 H new ATOM 0 HA ASN A 36 -37.669 3.397 -2.599 1.00 9.24 H new ATOM 0 HB2 ASN A 36 -36.318 5.412 -2.084 1.00 9.46 H new ATOM 0 HB3 ASN A 36 -35.181 4.981 -3.346 1.00 9.46 H new ATOM 0 HD21 ASN A 36 -38.953 5.912 -4.790 1.00 10.41 H new ATOM 0 HD22 ASN A 36 -38.744 4.663 -3.558 1.00 10.41 H new ATOM 531 N ASN A 37 -35.315 2.354 -4.637 1.00 8.43 N ATOM 532 CA ASN A 37 -35.106 1.622 -5.878 1.00 8.29 C ATOM 533 C ASN A 37 -35.097 0.123 -5.623 1.00 7.88 C ATOM 534 O ASN A 37 -34.730 -0.661 -6.494 1.00 7.92 O ATOM 535 CB ASN A 37 -33.792 2.045 -6.536 1.00 8.59 C ATOM 536 CG ASN A 37 -33.785 3.504 -6.971 1.00 9.45 C ATOM 537 OD1 ASN A 37 -34.946 4.035 -7.327 1.00 9.82 O flip ATOM 538 ND2 ASN A 37 -32.737 4.146 -6.990 1.00 10.00 N flip ATOM 0 H ASN A 37 -34.463 2.545 -4.110 1.00 8.43 H new ATOM 0 HA ASN A 37 -35.930 1.858 -6.551 1.00 8.29 H new ATOM 0 HB2 ASN A 37 -32.972 1.876 -5.838 1.00 8.59 H new ATOM 0 HB3 ASN A 37 -33.607 1.412 -7.404 1.00 8.59 H new ATOM 0 HD21 ASN A 37 -31.862 3.703 -6.709 1.00 10.00 H new ATOM 0 HD22 ASN A 37 -32.742 5.122 -7.287 1.00 10.00 H new ATOM 545 N MET A 38 -35.507 -0.261 -4.413 1.00 7.75 N ATOM 546 CA MET A 38 -35.567 -1.669 -3.997 1.00 7.70 C ATOM 547 C MET A 38 -34.186 -2.324 -4.086 1.00 7.11 C ATOM 548 O MET A 38 -34.071 -3.544 -4.165 1.00 7.09 O ATOM 549 CB MET A 38 -36.584 -2.466 -4.837 1.00 8.48 C ATOM 550 CG MET A 38 -38.021 -1.971 -4.717 1.00 9.45 C ATOM 551 SD MET A 38 -38.342 -0.497 -5.708 1.00 10.41 S ATOM 552 CE MET A 38 -39.990 -0.070 -5.154 1.00 10.82 C ATOM 0 H MET A 38 -35.808 0.394 -3.691 1.00 7.75 H new ATOM 0 HA MET A 38 -35.898 -1.685 -2.959 1.00 7.70 H new ATOM 0 HB2 MET A 38 -36.284 -2.425 -5.884 1.00 8.48 H new ATOM 0 HB3 MET A 38 -36.546 -3.513 -4.535 1.00 8.48 H new ATOM 0 HG2 MET A 38 -38.700 -2.765 -5.026 1.00 9.45 H new ATOM 0 HG3 MET A 38 -38.239 -1.754 -3.671 1.00 9.45 H new ATOM 0 HE1 MET A 38 -40.329 0.824 -5.677 1.00 10.82 H new ATOM 0 HE2 MET A 38 -40.670 -0.895 -5.366 1.00 10.82 H new ATOM 0 HE3 MET A 38 -39.975 0.121 -4.081 1.00 10.82 H new ATOM 562 N GLY A 39 -33.144 -1.506 -4.035 1.00 6.94 N ATOM 563 CA GLY A 39 -31.799 -2.014 -4.164 1.00 6.72 C ATOM 564 C GLY A 39 -31.331 -1.981 -5.601 1.00 6.82 C ATOM 565 O GLY A 39 -31.057 -0.908 -6.133 1.00 7.22 O ATOM 0 H GLY A 39 -33.210 -0.496 -3.906 1.00 6.94 H new ATOM 0 HA2 GLY A 39 -31.124 -1.421 -3.547 1.00 6.72 H new ATOM 0 HA3 GLY A 39 -31.758 -3.037 -3.790 1.00 6.72 H new ATOM 569 N SER A 40 -31.269 -3.161 -6.222 1.00 6.70 N ATOM 570 CA SER A 40 -30.821 -3.313 -7.607 1.00 7.03 C ATOM 571 C SER A 40 -29.493 -2.603 -7.820 1.00 6.75 C ATOM 572 O SER A 40 -29.426 -1.499 -8.362 1.00 7.15 O ATOM 573 CB SER A 40 -31.885 -2.841 -8.613 1.00 7.71 C ATOM 574 OG SER A 40 -32.346 -1.525 -8.350 1.00 7.71 O ATOM 0 H SER A 40 -31.529 -4.041 -5.776 1.00 6.70 H new ATOM 0 HA SER A 40 -30.670 -4.377 -7.792 1.00 7.03 H new ATOM 0 HB2 SER A 40 -31.469 -2.881 -9.620 1.00 7.71 H new ATOM 0 HB3 SER A 40 -32.730 -3.529 -8.590 1.00 7.71 H new ATOM 0 HG SER A 40 -31.695 -1.057 -7.787 1.00 7.71 H new ATOM 580 N ARG A 41 -28.439 -3.246 -7.366 1.00 6.32 N ATOM 581 CA ARG A 41 -27.134 -2.631 -7.338 1.00 6.15 C ATOM 582 C ARG A 41 -26.138 -3.406 -8.190 1.00 6.66 C ATOM 583 O ARG A 41 -25.918 -4.601 -7.983 1.00 6.86 O ATOM 584 CB ARG A 41 -26.658 -2.530 -5.886 1.00 5.64 C ATOM 585 CG ARG A 41 -26.796 -3.825 -5.112 1.00 5.83 C ATOM 586 CD ARG A 41 -26.120 -3.753 -3.751 1.00 6.30 C ATOM 587 NE ARG A 41 -26.607 -2.643 -2.937 1.00 6.60 N ATOM 588 CZ ARG A 41 -26.412 -2.546 -1.623 1.00 7.29 C ATOM 589 NH1 ARG A 41 -25.744 -3.494 -0.968 1.00 7.72 N ATOM 590 NH2 ARG A 41 -26.876 -1.494 -0.965 1.00 7.82 N ATOM 0 H ARG A 41 -28.463 -4.201 -7.009 1.00 6.32 H new ATOM 0 HA ARG A 41 -27.204 -1.630 -7.763 1.00 6.15 H new ATOM 0 HB2 ARG A 41 -25.613 -2.220 -5.876 1.00 5.64 H new ATOM 0 HB3 ARG A 41 -27.227 -1.751 -5.379 1.00 5.64 H new ATOM 0 HG2 ARG A 41 -27.853 -4.057 -4.980 1.00 5.83 H new ATOM 0 HG3 ARG A 41 -26.361 -4.640 -5.690 1.00 5.83 H new ATOM 0 HD2 ARG A 41 -26.286 -4.689 -3.218 1.00 6.30 H new ATOM 0 HD3 ARG A 41 -25.044 -3.651 -3.890 1.00 6.30 H new ATOM 0 HE ARG A 41 -27.127 -1.899 -3.402 1.00 6.60 H new ATOM 0 HH11 ARG A 41 -25.378 -4.301 -1.473 1.00 7.72 H new ATOM 0 HH12 ARG A 41 -25.599 -3.413 0.038 1.00 7.72 H new ATOM 0 HH21 ARG A 41 -27.381 -0.762 -1.465 1.00 7.82 H new ATOM 0 HH22 ARG A 41 -26.729 -1.416 0.041 1.00 7.82 H new ATOM 604 N LYS A 42 -25.545 -2.723 -9.159 1.00 7.18 N ATOM 605 CA LYS A 42 -24.547 -3.335 -10.025 1.00 7.95 C ATOM 606 C LYS A 42 -23.153 -2.867 -9.627 1.00 7.64 C ATOM 607 O LYS A 42 -22.465 -2.213 -10.415 1.00 7.95 O ATOM 608 CB LYS A 42 -24.806 -3.010 -11.506 1.00 8.85 C ATOM 609 CG LYS A 42 -26.136 -3.524 -12.042 1.00 9.40 C ATOM 610 CD LYS A 42 -27.254 -2.504 -11.889 1.00 8.95 C ATOM 611 CE LYS A 42 -28.557 -3.038 -12.453 1.00 9.61 C ATOM 612 NZ LYS A 42 -29.602 -1.989 -12.554 1.00 9.98 N ATOM 0 H LYS A 42 -25.738 -1.743 -9.366 1.00 7.18 H new ATOM 0 HA LYS A 42 -24.618 -4.416 -9.902 1.00 7.95 H new ATOM 0 HB2 LYS A 42 -24.768 -1.929 -11.640 1.00 8.85 H new ATOM 0 HB3 LYS A 42 -23.999 -3.434 -12.104 1.00 8.85 H new ATOM 0 HG2 LYS A 42 -26.025 -3.783 -13.095 1.00 9.40 H new ATOM 0 HG3 LYS A 42 -26.408 -4.439 -11.516 1.00 9.40 H new ATOM 0 HD2 LYS A 42 -27.384 -2.257 -10.835 1.00 8.95 H new ATOM 0 HD3 LYS A 42 -26.982 -1.581 -12.402 1.00 8.95 H new ATOM 0 HE2 LYS A 42 -28.375 -3.462 -13.440 1.00 9.61 H new ATOM 0 HE3 LYS A 42 -28.919 -3.848 -11.820 1.00 9.61 H new ATOM 0 HZ1 LYS A 42 -30.473 -2.403 -12.944 1.00 9.98 H new ATOM 0 HZ2 LYS A 42 -29.797 -1.601 -11.609 1.00 9.98 H new ATOM 0 HZ3 LYS A 42 -29.270 -1.227 -13.179 1.00 9.98 H new ATOM 626 N ASN A 43 -22.770 -3.184 -8.386 1.00 7.18 N ATOM 627 CA ASN A 43 -21.486 -2.765 -7.813 1.00 6.90 C ATOM 628 C ASN A 43 -21.333 -1.257 -7.898 1.00 6.59 C ATOM 629 O ASN A 43 -20.814 -0.722 -8.881 1.00 7.32 O ATOM 630 CB ASN A 43 -20.314 -3.459 -8.515 1.00 7.86 C ATOM 631 CG ASN A 43 -18.999 -3.323 -7.763 1.00 7.89 C ATOM 632 OD1 ASN A 43 -18.757 -2.347 -7.057 1.00 7.84 O ATOM 633 ND2 ASN A 43 -18.131 -4.314 -7.914 1.00 8.26 N ATOM 0 H ASN A 43 -23.342 -3.739 -7.749 1.00 7.18 H new ATOM 0 HA ASN A 43 -21.475 -3.061 -6.764 1.00 6.90 H new ATOM 0 HB2 ASN A 43 -20.547 -4.517 -8.637 1.00 7.86 H new ATOM 0 HB3 ASN A 43 -20.198 -3.040 -9.515 1.00 7.86 H new ATOM 0 HD21 ASN A 43 -17.230 -4.280 -7.436 1.00 8.26 H new ATOM 0 HD22 ASN A 43 -18.364 -5.110 -8.508 1.00 8.26 H new ATOM 640 N PRO A 44 -21.815 -0.556 -6.869 1.00 5.79 N ATOM 641 CA PRO A 44 -21.805 0.897 -6.827 1.00 5.83 C ATOM 642 C PRO A 44 -20.520 1.443 -6.220 1.00 5.83 C ATOM 643 O PRO A 44 -19.437 0.889 -6.410 1.00 6.26 O ATOM 644 CB PRO A 44 -22.994 1.175 -5.914 1.00 5.35 C ATOM 645 CG PRO A 44 -22.927 0.079 -4.908 1.00 4.82 C ATOM 646 CD PRO A 44 -22.428 -1.129 -5.654 1.00 5.18 C ATOM 0 HA PRO A 44 -21.863 1.363 -7.811 1.00 5.83 H new ATOM 0 HB2 PRO A 44 -22.918 2.156 -5.444 1.00 5.35 H new ATOM 0 HB3 PRO A 44 -23.935 1.157 -6.464 1.00 5.35 H new ATOM 0 HG2 PRO A 44 -22.255 0.339 -4.090 1.00 4.82 H new ATOM 0 HG3 PRO A 44 -23.906 -0.109 -4.468 1.00 4.82 H new ATOM 0 HD2 PRO A 44 -21.703 -1.692 -5.066 1.00 5.18 H new ATOM 0 HD3 PRO A 44 -23.240 -1.813 -5.899 1.00 5.18 H new ATOM 654 N ASP A 45 -20.651 2.528 -5.480 1.00 5.59 N ATOM 655 CA ASP A 45 -19.516 3.140 -4.815 1.00 5.67 C ATOM 656 C ASP A 45 -19.649 3.032 -3.299 1.00 5.46 C ATOM 657 O ASP A 45 -20.364 3.805 -2.657 1.00 5.44 O ATOM 658 CB ASP A 45 -19.355 4.604 -5.249 1.00 6.26 C ATOM 659 CG ASP A 45 -20.616 5.434 -5.061 1.00 6.73 C ATOM 660 OD1 ASP A 45 -21.592 5.225 -5.808 1.00 7.06 O ATOM 661 OD2 ASP A 45 -20.639 6.296 -4.154 1.00 6.98 O ATOM 0 H ASP A 45 -21.538 3.006 -5.324 1.00 5.59 H new ATOM 0 HA ASP A 45 -18.618 2.599 -5.112 1.00 5.67 H new ATOM 0 HB2 ASP A 45 -18.543 5.057 -4.679 1.00 6.26 H new ATOM 0 HB3 ASP A 45 -19.063 4.634 -6.299 1.00 6.26 H new ATOM 666 N PRO A 46 -18.981 2.034 -2.704 1.00 5.77 N ATOM 667 CA PRO A 46 -18.951 1.860 -1.255 1.00 6.07 C ATOM 668 C PRO A 46 -17.972 2.828 -0.598 1.00 6.28 C ATOM 669 O PRO A 46 -17.976 3.014 0.621 1.00 6.83 O ATOM 670 CB PRO A 46 -18.476 0.410 -1.065 1.00 6.80 C ATOM 671 CG PRO A 46 -18.377 -0.179 -2.438 1.00 6.93 C ATOM 672 CD PRO A 46 -18.232 0.976 -3.385 1.00 6.33 C ATOM 0 HA PRO A 46 -19.921 2.057 -0.798 1.00 6.07 H new ATOM 0 HB2 PRO A 46 -17.512 0.379 -0.558 1.00 6.80 H new ATOM 0 HB3 PRO A 46 -19.178 -0.152 -0.450 1.00 6.80 H new ATOM 0 HG2 PRO A 46 -17.522 -0.851 -2.512 1.00 6.93 H new ATOM 0 HG3 PRO A 46 -19.265 -0.766 -2.674 1.00 6.93 H new ATOM 0 HD2 PRO A 46 -17.188 1.250 -3.536 1.00 6.33 H new ATOM 0 HD3 PRO A 46 -18.648 0.751 -4.367 1.00 6.33 H new ATOM 680 N LEU A 47 -17.126 3.436 -1.426 1.00 6.19 N ATOM 681 CA LEU A 47 -16.130 4.396 -0.955 1.00 6.74 C ATOM 682 C LEU A 47 -16.222 5.692 -1.755 1.00 6.79 C ATOM 683 O LEU A 47 -16.597 6.732 -1.211 1.00 7.54 O ATOM 684 CB LEU A 47 -14.706 3.824 -1.054 1.00 7.04 C ATOM 685 CG LEU A 47 -14.382 2.651 -0.122 1.00 7.00 C ATOM 686 CD1 LEU A 47 -14.928 1.340 -0.667 1.00 6.92 C ATOM 687 CD2 LEU A 47 -12.881 2.553 0.086 1.00 7.53 C ATOM 0 H LEU A 47 -17.111 3.279 -2.434 1.00 6.19 H new ATOM 0 HA LEU A 47 -16.342 4.603 0.094 1.00 6.74 H new ATOM 0 HB2 LEU A 47 -14.537 3.502 -2.082 1.00 7.04 H new ATOM 0 HB3 LEU A 47 -13.999 4.628 -0.851 1.00 7.04 H new ATOM 0 HG LEU A 47 -14.866 2.837 0.837 1.00 7.00 H new ATOM 0 HD11 LEU A 47 -14.680 0.530 0.019 1.00 6.92 H new ATOM 0 HD12 LEU A 47 -16.011 1.411 -0.769 1.00 6.92 H new ATOM 0 HD13 LEU A 47 -14.485 1.139 -1.642 1.00 6.92 H new ATOM 0 HD21 LEU A 47 -12.659 1.717 0.749 1.00 7.53 H new ATOM 0 HD22 LEU A 47 -12.390 2.394 -0.874 1.00 7.53 H new ATOM 0 HD23 LEU A 47 -12.514 3.477 0.532 1.00 7.53 H new ATOM 699 N ALA A 48 -15.837 5.612 -3.036 1.00 6.28 N ATOM 700 CA ALA A 48 -15.938 6.728 -3.996 1.00 6.64 C ATOM 701 C ALA A 48 -14.791 7.725 -3.824 1.00 6.21 C ATOM 702 O ALA A 48 -14.340 8.340 -4.789 1.00 6.37 O ATOM 703 CB ALA A 48 -17.288 7.434 -3.904 1.00 7.26 C ATOM 0 H ALA A 48 -15.442 4.764 -3.442 1.00 6.28 H new ATOM 0 HA ALA A 48 -15.858 6.294 -4.993 1.00 6.64 H new ATOM 0 HB1 ALA A 48 -17.322 8.249 -4.627 1.00 7.26 H new ATOM 0 HB2 ALA A 48 -18.086 6.723 -4.120 1.00 7.26 H new ATOM 0 HB3 ALA A 48 -17.422 7.834 -2.899 1.00 7.26 H new ATOM 709 N THR A 49 -14.337 7.886 -2.593 1.00 5.97 N ATOM 710 CA THR A 49 -13.222 8.766 -2.293 1.00 5.78 C ATOM 711 C THR A 49 -11.937 8.248 -2.938 1.00 5.51 C ATOM 712 O THR A 49 -11.220 8.993 -3.608 1.00 5.78 O ATOM 713 CB THR A 49 -13.015 8.870 -0.773 1.00 5.98 C ATOM 714 OG1 THR A 49 -14.280 9.040 -0.120 1.00 6.42 O ATOM 715 CG2 THR A 49 -12.097 10.034 -0.433 1.00 6.50 C ATOM 0 H THR A 49 -14.728 7.413 -1.778 1.00 5.97 H new ATOM 0 HA THR A 49 -13.455 9.751 -2.697 1.00 5.78 H new ATOM 0 HB THR A 49 -12.549 7.949 -0.424 1.00 5.98 H new ATOM 0 HG1 THR A 49 -14.142 9.104 0.848 1.00 6.42 H new ATOM 0 HG21 THR A 49 -11.964 10.089 0.647 1.00 6.50 H new ATOM 0 HG22 THR A 49 -11.129 9.885 -0.910 1.00 6.50 H new ATOM 0 HG23 THR A 49 -12.539 10.963 -0.792 1.00 6.50 H new ATOM 723 N GLU A 50 -11.671 6.957 -2.733 1.00 5.40 N ATOM 724 CA GLU A 50 -10.462 6.300 -3.234 1.00 5.68 C ATOM 725 C GLU A 50 -9.204 7.007 -2.718 1.00 5.52 C ATOM 726 O GLU A 50 -8.152 6.981 -3.358 1.00 5.73 O ATOM 727 CB GLU A 50 -10.466 6.255 -4.765 1.00 6.30 C ATOM 728 CG GLU A 50 -11.785 5.769 -5.361 1.00 7.02 C ATOM 729 CD GLU A 50 -12.270 4.462 -4.761 1.00 8.02 C ATOM 730 OE1 GLU A 50 -11.888 3.389 -5.278 1.00 8.59 O ATOM 731 OE2 GLU A 50 -13.024 4.505 -3.761 1.00 8.40 O ATOM 0 H GLU A 50 -12.290 6.335 -2.213 1.00 5.40 H new ATOM 0 HA GLU A 50 -10.453 5.276 -2.861 1.00 5.68 H new ATOM 0 HB2 GLU A 50 -10.249 7.252 -5.150 1.00 6.30 H new ATOM 0 HB3 GLU A 50 -9.662 5.601 -5.103 1.00 6.30 H new ATOM 0 HG2 GLU A 50 -12.547 6.534 -5.212 1.00 7.02 H new ATOM 0 HG3 GLU A 50 -11.665 5.644 -6.437 1.00 7.02 H new ATOM 738 N GLU A 51 -9.340 7.625 -1.537 1.00 5.43 N ATOM 739 CA GLU A 51 -8.271 8.389 -0.884 1.00 5.45 C ATOM 740 C GLU A 51 -7.967 9.686 -1.626 1.00 5.48 C ATOM 741 O GLU A 51 -8.142 10.767 -1.063 1.00 5.85 O ATOM 742 CB GLU A 51 -6.992 7.559 -0.714 1.00 5.47 C ATOM 743 CG GLU A 51 -7.141 6.413 0.274 1.00 6.03 C ATOM 744 CD GLU A 51 -5.808 5.912 0.791 1.00 6.79 C ATOM 745 OE1 GLU A 51 -5.210 5.014 0.162 1.00 7.46 O ATOM 746 OE2 GLU A 51 -5.355 6.409 1.846 1.00 6.93 O ATOM 0 H GLU A 51 -10.208 7.607 -1.002 1.00 5.43 H new ATOM 0 HA GLU A 51 -8.640 8.645 0.109 1.00 5.45 H new ATOM 0 HB2 GLU A 51 -6.698 7.157 -1.683 1.00 5.47 H new ATOM 0 HB3 GLU A 51 -6.185 8.213 -0.382 1.00 5.47 H new ATOM 0 HG2 GLU A 51 -7.753 6.740 1.115 1.00 6.03 H new ATOM 0 HG3 GLU A 51 -7.672 5.591 -0.206 1.00 6.03 H new ATOM 753 N VAL A 52 -7.535 9.554 -2.885 1.00 5.42 N ATOM 754 CA VAL A 52 -7.117 10.681 -3.732 1.00 5.86 C ATOM 755 C VAL A 52 -6.348 11.753 -2.929 1.00 6.11 C ATOM 756 O VAL A 52 -6.762 12.908 -2.822 1.00 6.55 O ATOM 757 CB VAL A 52 -8.321 11.289 -4.522 1.00 6.43 C ATOM 758 CG1 VAL A 52 -9.364 11.918 -3.605 1.00 6.99 C ATOM 759 CG2 VAL A 52 -7.837 12.295 -5.562 1.00 6.80 C ATOM 0 H VAL A 52 -7.464 8.650 -3.352 1.00 5.42 H new ATOM 0 HA VAL A 52 -6.421 10.285 -4.471 1.00 5.86 H new ATOM 0 HB VAL A 52 -8.810 10.462 -5.037 1.00 6.43 H new ATOM 0 HG11 VAL A 52 -10.178 12.325 -4.205 1.00 6.99 H new ATOM 0 HG12 VAL A 52 -9.757 11.160 -2.927 1.00 6.99 H new ATOM 0 HG13 VAL A 52 -8.904 12.719 -3.027 1.00 6.99 H new ATOM 0 HG21 VAL A 52 -8.693 12.704 -6.099 1.00 6.80 H new ATOM 0 HG22 VAL A 52 -7.301 13.103 -5.065 1.00 6.80 H new ATOM 0 HG23 VAL A 52 -7.171 11.798 -6.267 1.00 6.80 H new ATOM 769 N PRO A 53 -5.198 11.372 -2.345 1.00 6.09 N ATOM 770 CA PRO A 53 -4.440 12.254 -1.451 1.00 6.51 C ATOM 771 C PRO A 53 -3.785 13.425 -2.180 1.00 6.99 C ATOM 772 O PRO A 53 -4.156 14.582 -1.974 1.00 7.85 O ATOM 773 CB PRO A 53 -3.369 11.336 -0.847 1.00 6.60 C ATOM 774 CG PRO A 53 -3.764 9.947 -1.225 1.00 6.37 C ATOM 775 CD PRO A 53 -4.547 10.068 -2.497 1.00 6.00 C ATOM 0 HA PRO A 53 -5.092 12.716 -0.710 1.00 6.51 H new ATOM 0 HB2 PRO A 53 -2.380 11.581 -1.235 1.00 6.60 H new ATOM 0 HB3 PRO A 53 -3.323 11.448 0.236 1.00 6.60 H new ATOM 0 HG2 PRO A 53 -2.886 9.317 -1.367 1.00 6.37 H new ATOM 0 HG3 PRO A 53 -4.364 9.486 -0.441 1.00 6.37 H new ATOM 0 HD2 PRO A 53 -3.902 10.036 -3.375 1.00 6.00 H new ATOM 0 HD3 PRO A 53 -5.273 9.262 -2.605 1.00 6.00 H new ATOM 783 N ASN A 54 -2.807 13.126 -3.027 1.00 6.65 N ATOM 784 CA ASN A 54 -2.056 14.179 -3.706 1.00 7.32 C ATOM 785 C ASN A 54 -2.372 14.236 -5.185 1.00 7.87 C ATOM 786 O ASN A 54 -2.404 15.310 -5.785 1.00 8.62 O ATOM 787 CB ASN A 54 -0.549 13.996 -3.498 1.00 7.53 C ATOM 788 CG ASN A 54 -0.121 14.245 -2.068 1.00 7.80 C ATOM 789 OD1 ASN A 54 -0.082 13.328 -1.254 1.00 7.76 O ATOM 790 ND2 ASN A 54 0.203 15.490 -1.751 1.00 8.37 N ATOM 0 H ASN A 54 -2.517 12.176 -3.259 1.00 6.65 H new ATOM 0 HA ASN A 54 -2.363 15.126 -3.262 1.00 7.32 H new ATOM 0 HB2 ASN A 54 -0.267 12.983 -3.786 1.00 7.53 H new ATOM 0 HB3 ASN A 54 -0.010 14.676 -4.158 1.00 7.53 H new ATOM 0 HD21 ASN A 54 0.498 15.714 -0.801 1.00 8.37 H new ATOM 0 HD22 ASN A 54 0.157 16.224 -2.457 1.00 8.37 H new ATOM 797 N GLN A 55 -2.604 13.077 -5.757 1.00 7.71 N ATOM 798 CA GLN A 55 -2.866 12.956 -7.190 1.00 8.46 C ATOM 799 C GLN A 55 -3.416 11.574 -7.541 1.00 8.71 C ATOM 800 O GLN A 55 -4.564 11.446 -7.955 1.00 9.31 O ATOM 801 CB GLN A 55 -1.594 13.261 -8.002 1.00 9.37 C ATOM 802 CG GLN A 55 -0.345 12.539 -7.509 1.00 9.49 C ATOM 803 CD GLN A 55 0.880 12.831 -8.351 1.00 9.90 C ATOM 804 OE1 GLN A 55 1.161 12.131 -9.325 1.00 10.49 O ATOM 805 NE2 GLN A 55 1.615 13.868 -7.987 1.00 9.79 N ATOM 0 H GLN A 55 -2.619 12.190 -5.253 1.00 7.71 H new ATOM 0 HA GLN A 55 -3.627 13.691 -7.453 1.00 8.46 H new ATOM 0 HB2 GLN A 55 -1.768 12.990 -9.043 1.00 9.37 H new ATOM 0 HB3 GLN A 55 -1.411 14.335 -7.978 1.00 9.37 H new ATOM 0 HG2 GLN A 55 -0.147 12.830 -6.477 1.00 9.49 H new ATOM 0 HG3 GLN A 55 -0.530 11.465 -7.507 1.00 9.49 H new ATOM 0 HE21 GLN A 55 1.348 14.422 -7.174 1.00 9.79 H new ATOM 0 HE22 GLN A 55 2.449 14.114 -8.520 1.00 9.79 H new ATOM 814 N GLU A 56 -2.603 10.543 -7.364 1.00 8.44 N ATOM 815 CA GLU A 56 -3.016 9.192 -7.699 1.00 8.86 C ATOM 816 C GLU A 56 -3.099 8.345 -6.431 1.00 8.25 C ATOM 817 O GLU A 56 -4.124 8.321 -5.751 1.00 8.21 O ATOM 818 CB GLU A 56 -2.028 8.573 -8.695 1.00 9.28 C ATOM 819 CG GLU A 56 -2.545 7.323 -9.379 1.00 10.30 C ATOM 820 CD GLU A 56 -3.582 7.627 -10.438 1.00 10.82 C ATOM 821 OE1 GLU A 56 -4.717 7.992 -10.067 1.00 11.15 O ATOM 822 OE2 GLU A 56 -3.281 7.487 -11.640 1.00 11.07 O ATOM 0 H GLU A 56 -1.656 10.618 -6.991 1.00 8.44 H new ATOM 0 HA GLU A 56 -4.002 9.223 -8.163 1.00 8.86 H new ATOM 0 HB2 GLU A 56 -1.781 9.315 -9.455 1.00 9.28 H new ATOM 0 HB3 GLU A 56 -1.103 8.332 -8.171 1.00 9.28 H new ATOM 0 HG2 GLU A 56 -1.710 6.791 -9.835 1.00 10.30 H new ATOM 0 HG3 GLU A 56 -2.978 6.657 -8.632 1.00 10.30 H new ATOM 829 N GLN A 57 -1.993 7.700 -6.100 1.00 8.02 N ATOM 830 CA GLN A 57 -1.895 6.872 -4.906 1.00 7.71 C ATOM 831 C GLN A 57 -0.640 7.256 -4.150 1.00 6.84 C ATOM 832 O GLN A 57 0.385 7.561 -4.764 1.00 6.77 O ATOM 833 CB GLN A 57 -1.847 5.381 -5.268 1.00 8.64 C ATOM 834 CG GLN A 57 -0.727 5.020 -6.236 1.00 9.62 C ATOM 835 CD GLN A 57 -0.633 3.530 -6.511 1.00 10.46 C ATOM 836 OE1 GLN A 57 -1.627 2.806 -6.451 1.00 10.72 O ATOM 837 NE2 GLN A 57 0.568 3.061 -6.817 1.00 11.09 N ATOM 0 H GLN A 57 -1.136 7.735 -6.651 1.00 8.02 H new ATOM 0 HA GLN A 57 -2.777 7.038 -4.287 1.00 7.71 H new ATOM 0 HB2 GLN A 57 -1.727 4.798 -4.355 1.00 8.64 H new ATOM 0 HB3 GLN A 57 -2.802 5.092 -5.707 1.00 8.64 H new ATOM 0 HG2 GLN A 57 -0.884 5.548 -7.177 1.00 9.62 H new ATOM 0 HG3 GLN A 57 0.222 5.369 -5.830 1.00 9.62 H new ATOM 0 HE21 GLN A 57 1.367 3.693 -6.857 1.00 11.09 H new ATOM 0 HE22 GLN A 57 0.693 2.068 -7.013 1.00 11.09 H new ATOM 846 N ILE A 58 -0.706 7.254 -2.829 1.00 6.43 N ATOM 847 CA ILE A 58 0.434 7.683 -2.037 1.00 5.79 C ATOM 848 C ILE A 58 0.814 6.629 -0.993 1.00 5.74 C ATOM 849 O ILE A 58 0.432 6.723 0.174 1.00 5.48 O ATOM 850 CB ILE A 58 0.183 9.047 -1.348 1.00 5.36 C ATOM 851 CG1 ILE A 58 -0.248 10.105 -2.375 1.00 5.76 C ATOM 852 CG2 ILE A 58 1.431 9.511 -0.609 1.00 5.36 C ATOM 853 CD1 ILE A 58 0.790 10.403 -3.441 1.00 6.29 C ATOM 0 H ILE A 58 -1.522 6.965 -2.290 1.00 6.43 H new ATOM 0 HA ILE A 58 1.266 7.805 -2.730 1.00 5.79 H new ATOM 0 HB ILE A 58 -0.623 8.917 -0.626 1.00 5.36 H new ATOM 0 HG12 ILE A 58 -1.164 9.770 -2.861 1.00 5.76 H new ATOM 0 HG13 ILE A 58 -0.486 11.029 -1.848 1.00 5.76 H new ATOM 0 HG21 ILE A 58 1.235 10.471 -0.131 1.00 5.36 H new ATOM 0 HG22 ILE A 58 1.699 8.776 0.150 1.00 5.36 H new ATOM 0 HG23 ILE A 58 2.254 9.619 -1.316 1.00 5.36 H new ATOM 0 HD11 ILE A 58 0.404 11.160 -4.124 1.00 6.29 H new ATOM 0 HD12 ILE A 58 1.701 10.771 -2.969 1.00 6.29 H new ATOM 0 HD13 ILE A 58 1.012 9.492 -3.997 1.00 6.29 H new ATOM 865 N PRO A 59 1.524 5.574 -1.425 1.00 6.40 N ATOM 866 CA PRO A 59 2.106 4.581 -0.541 1.00 6.85 C ATOM 867 C PRO A 59 3.595 4.833 -0.319 1.00 6.63 C ATOM 868 O PRO A 59 4.331 3.958 0.137 1.00 7.28 O ATOM 869 CB PRO A 59 1.894 3.297 -1.338 1.00 7.95 C ATOM 870 CG PRO A 59 1.962 3.714 -2.781 1.00 8.02 C ATOM 871 CD PRO A 59 1.768 5.214 -2.830 1.00 7.12 C ATOM 0 HA PRO A 59 1.666 4.573 0.456 1.00 6.85 H new ATOM 0 HB2 PRO A 59 2.660 2.558 -1.105 1.00 7.95 H new ATOM 0 HB3 PRO A 59 0.931 2.843 -1.104 1.00 7.95 H new ATOM 0 HG2 PRO A 59 2.923 3.437 -3.215 1.00 8.02 H new ATOM 0 HG3 PRO A 59 1.191 3.208 -3.363 1.00 8.02 H new ATOM 0 HD2 PRO A 59 2.648 5.720 -3.227 1.00 7.12 H new ATOM 0 HD3 PRO A 59 0.927 5.490 -3.467 1.00 7.12 H new ATOM 879 N GLU A 60 4.025 6.044 -0.651 1.00 5.93 N ATOM 880 CA GLU A 60 5.433 6.399 -0.613 1.00 5.88 C ATOM 881 C GLU A 60 5.648 7.662 0.210 1.00 5.80 C ATOM 882 O GLU A 60 6.720 8.273 0.150 1.00 5.92 O ATOM 883 CB GLU A 60 5.940 6.602 -2.037 1.00 5.78 C ATOM 884 CG GLU A 60 5.171 7.661 -2.795 1.00 5.71 C ATOM 885 CD GLU A 60 5.518 7.672 -4.263 1.00 6.20 C ATOM 886 OE1 GLU A 60 6.510 8.322 -4.640 1.00 6.44 O ATOM 887 OE2 GLU A 60 4.796 7.020 -5.048 1.00 6.61 O ATOM 0 H GLU A 60 3.411 6.801 -0.952 1.00 5.93 H new ATOM 0 HA GLU A 60 5.991 5.590 -0.141 1.00 5.88 H new ATOM 0 HB2 GLU A 60 6.994 6.879 -2.005 1.00 5.78 H new ATOM 0 HB3 GLU A 60 5.875 5.658 -2.577 1.00 5.78 H new ATOM 0 HG2 GLU A 60 4.102 7.486 -2.677 1.00 5.71 H new ATOM 0 HG3 GLU A 60 5.383 8.640 -2.365 1.00 5.71 H new ATOM 894 N GLU A 61 4.626 8.025 0.996 1.00 5.98 N ATOM 895 CA GLU A 61 4.634 9.241 1.820 1.00 6.40 C ATOM 896 C GLU A 61 4.648 10.506 0.958 1.00 6.67 C ATOM 897 O GLU A 61 3.708 11.303 0.985 1.00 7.45 O ATOM 898 CB GLU A 61 5.831 9.255 2.784 1.00 6.95 C ATOM 899 CG GLU A 61 5.808 8.153 3.840 1.00 7.52 C ATOM 900 CD GLU A 61 6.226 6.797 3.299 1.00 8.17 C ATOM 901 OE1 GLU A 61 7.431 6.594 3.042 1.00 8.72 O ATOM 902 OE2 GLU A 61 5.348 5.924 3.132 1.00 8.32 O ATOM 0 H GLU A 61 3.767 7.481 1.079 1.00 5.98 H new ATOM 0 HA GLU A 61 3.714 9.232 2.404 1.00 6.40 H new ATOM 0 HB2 GLU A 61 6.749 9.165 2.204 1.00 6.95 H new ATOM 0 HB3 GLU A 61 5.865 10.222 3.287 1.00 6.95 H new ATOM 0 HG2 GLU A 61 6.471 8.430 4.659 1.00 7.52 H new ATOM 0 HG3 GLU A 61 4.803 8.077 4.255 1.00 7.52 H new ATOM 909 N GLY A 62 5.717 10.691 0.206 1.00 6.22 N ATOM 910 CA GLY A 62 5.845 11.866 -0.633 1.00 6.69 C ATOM 911 C GLY A 62 6.853 12.852 -0.079 1.00 6.92 C ATOM 912 O GLY A 62 7.162 13.869 -0.706 1.00 7.40 O ATOM 0 H GLY A 62 6.505 10.046 0.159 1.00 6.22 H new ATOM 0 HA2 GLY A 62 6.147 11.564 -1.636 1.00 6.69 H new ATOM 0 HA3 GLY A 62 4.874 12.353 -0.725 1.00 6.69 H new ATOM 916 N PHE A 63 7.362 12.536 1.103 1.00 6.81 N ATOM 917 CA PHE A 63 8.323 13.383 1.805 1.00 7.27 C ATOM 918 C PHE A 63 9.480 12.540 2.347 1.00 6.90 C ATOM 919 O PHE A 63 9.719 12.471 3.553 1.00 7.34 O ATOM 920 CB PHE A 63 7.614 14.143 2.935 1.00 8.02 C ATOM 921 CG PHE A 63 6.622 13.312 3.706 1.00 7.85 C ATOM 922 CD1 PHE A 63 7.019 12.562 4.799 1.00 8.09 C ATOM 923 CD2 PHE A 63 5.288 13.283 3.329 1.00 7.70 C ATOM 924 CE1 PHE A 63 6.108 11.798 5.499 1.00 8.21 C ATOM 925 CE2 PHE A 63 4.373 12.521 4.025 1.00 7.74 C ATOM 926 CZ PHE A 63 4.783 11.778 5.113 1.00 8.00 C ATOM 0 H PHE A 63 7.121 11.682 1.606 1.00 6.81 H new ATOM 0 HA PHE A 63 8.739 14.110 1.108 1.00 7.27 H new ATOM 0 HB2 PHE A 63 8.364 14.528 3.626 1.00 8.02 H new ATOM 0 HB3 PHE A 63 7.098 15.005 2.511 1.00 8.02 H new ATOM 0 HD1 PHE A 63 8.054 12.575 5.108 1.00 8.09 H new ATOM 0 HD2 PHE A 63 4.961 13.864 2.480 1.00 7.70 H new ATOM 0 HE1 PHE A 63 6.432 11.216 6.349 1.00 8.21 H new ATOM 0 HE2 PHE A 63 3.337 12.506 3.719 1.00 7.74 H new ATOM 0 HZ PHE A 63 4.069 11.182 5.661 1.00 8.00 H new ATOM 936 N ILE A 64 10.197 11.890 1.444 1.00 6.31 N ATOM 937 CA ILE A 64 11.269 10.985 1.834 1.00 6.14 C ATOM 938 C ILE A 64 12.569 11.761 2.040 1.00 6.65 C ATOM 939 O ILE A 64 13.534 11.238 2.600 1.00 6.98 O ATOM 940 CB ILE A 64 11.476 9.870 0.786 1.00 5.61 C ATOM 941 CG1 ILE A 64 10.122 9.385 0.259 1.00 5.10 C ATOM 942 CG2 ILE A 64 12.246 8.704 1.405 1.00 5.86 C ATOM 943 CD1 ILE A 64 10.233 8.343 -0.833 1.00 5.02 C ATOM 0 H ILE A 64 10.057 11.971 0.437 1.00 6.31 H new ATOM 0 HA ILE A 64 10.981 10.514 2.774 1.00 6.14 H new ATOM 0 HB ILE A 64 12.054 10.272 -0.046 1.00 5.61 H new ATOM 0 HG12 ILE A 64 9.547 8.971 1.087 1.00 5.10 H new ATOM 0 HG13 ILE A 64 9.563 10.240 -0.122 1.00 5.10 H new ATOM 0 HG21 ILE A 64 12.387 7.923 0.658 1.00 5.86 H new ATOM 0 HG22 ILE A 64 13.218 9.053 1.752 1.00 5.86 H new ATOM 0 HG23 ILE A 64 11.683 8.303 2.248 1.00 5.86 H new ATOM 0 HD11 ILE A 64 9.235 8.047 -1.157 1.00 5.02 H new ATOM 0 HD12 ILE A 64 10.780 8.759 -1.679 1.00 5.02 H new ATOM 0 HD13 ILE A 64 10.764 7.471 -0.451 1.00 5.02 H new ATOM 955 N HIS A 65 12.576 13.023 1.591 1.00 6.99 N ATOM 956 CA HIS A 65 13.710 13.932 1.797 1.00 7.71 C ATOM 957 C HIS A 65 14.946 13.426 1.048 1.00 7.41 C ATOM 958 O HIS A 65 16.072 13.807 1.351 1.00 7.99 O ATOM 959 CB HIS A 65 14.002 14.068 3.303 1.00 8.57 C ATOM 960 CG HIS A 65 14.860 15.240 3.678 1.00 9.17 C ATOM 961 ND1 HIS A 65 16.110 15.116 4.250 1.00 9.64 N ATOM 962 CD2 HIS A 65 14.621 16.567 3.594 1.00 9.60 C ATOM 963 CE1 HIS A 65 16.593 16.312 4.504 1.00 10.31 C ATOM 964 NE2 HIS A 65 15.711 17.212 4.113 1.00 10.28 N ATOM 0 H HIS A 65 11.800 13.440 1.077 1.00 6.99 H new ATOM 0 HA HIS A 65 13.454 14.914 1.400 1.00 7.71 H new ATOM 0 HB2 HIS A 65 13.054 14.145 3.836 1.00 8.57 H new ATOM 0 HB3 HIS A 65 14.488 13.155 3.648 1.00 8.57 H new ATOM 0 HD2 HIS A 65 13.734 17.033 3.192 1.00 9.60 H new ATOM 0 HE1 HIS A 65 17.551 16.522 4.957 1.00 10.31 H new ATOM 0 HE2 HIS A 65 15.823 18.223 4.186 1.00 10.28 H new ATOM 973 N THR A 66 14.716 12.607 0.027 1.00 6.67 N ATOM 974 CA THR A 66 15.796 11.940 -0.686 1.00 6.47 C ATOM 975 C THR A 66 16.432 12.869 -1.708 1.00 6.60 C ATOM 976 O THR A 66 17.513 12.588 -2.228 1.00 6.62 O ATOM 977 CB THR A 66 15.289 10.682 -1.392 1.00 6.64 C ATOM 978 OG1 THR A 66 14.043 10.281 -0.820 1.00 7.18 O ATOM 979 CG2 THR A 66 16.285 9.548 -1.248 1.00 6.82 C ATOM 0 H THR A 66 13.784 12.389 -0.326 1.00 6.67 H new ATOM 0 HA THR A 66 16.547 11.658 0.052 1.00 6.47 H new ATOM 0 HB THR A 66 15.160 10.910 -2.450 1.00 6.64 H new ATOM 0 HG1 THR A 66 13.718 9.476 -1.275 1.00 7.18 H new ATOM 0 HG21 THR A 66 15.905 8.663 -1.758 1.00 6.82 H new ATOM 0 HG22 THR A 66 17.237 9.841 -1.691 1.00 6.82 H new ATOM 0 HG23 THR A 66 16.431 9.324 -0.191 1.00 6.82 H new ATOM 987 N GLN A 67 15.763 13.988 -1.983 1.00 6.89 N ATOM 988 CA GLN A 67 16.342 15.040 -2.816 1.00 7.37 C ATOM 989 C GLN A 67 17.481 15.710 -2.051 1.00 7.24 C ATOM 990 O GLN A 67 18.220 16.541 -2.585 1.00 7.66 O ATOM 991 CB GLN A 67 15.270 16.066 -3.205 1.00 8.01 C ATOM 992 CG GLN A 67 14.079 15.449 -3.924 1.00 8.35 C ATOM 993 CD GLN A 67 13.016 16.468 -4.298 1.00 9.02 C ATOM 994 OE1 GLN A 67 12.913 17.549 -3.535 1.00 9.58 O flip ATOM 995 NE2 GLN A 67 12.292 16.288 -5.275 1.00 9.24 N flip ATOM 0 H GLN A 67 14.823 14.189 -1.642 1.00 6.89 H new ATOM 0 HA GLN A 67 16.734 14.604 -3.735 1.00 7.37 H new ATOM 0 HB2 GLN A 67 14.920 16.574 -2.306 1.00 8.01 H new ATOM 0 HB3 GLN A 67 15.719 16.825 -3.846 1.00 8.01 H new ATOM 0 HG2 GLN A 67 14.427 14.948 -4.827 1.00 8.35 H new ATOM 0 HG3 GLN A 67 13.633 14.685 -3.287 1.00 8.35 H new ATOM 0 HE21 GLN A 67 12.398 15.445 -5.840 1.00 9.24 H new ATOM 0 HE22 GLN A 67 11.585 16.981 -5.521 1.00 9.24 H new ATOM 1004 N TYR A 68 17.589 15.337 -0.781 1.00 6.89 N ATOM 1005 CA TYR A 68 18.674 15.765 0.082 1.00 7.01 C ATOM 1006 C TYR A 68 19.400 14.527 0.603 1.00 6.55 C ATOM 1007 O TYR A 68 20.362 14.612 1.362 1.00 6.81 O ATOM 1008 CB TYR A 68 18.097 16.573 1.240 1.00 7.18 C ATOM 1009 CG TYR A 68 19.117 17.360 2.044 1.00 7.77 C ATOM 1010 CD1 TYR A 68 19.563 18.607 1.613 1.00 8.20 C ATOM 1011 CD2 TYR A 68 19.641 16.852 3.225 1.00 8.17 C ATOM 1012 CE1 TYR A 68 20.501 19.318 2.337 1.00 8.96 C ATOM 1013 CE2 TYR A 68 20.579 17.561 3.954 1.00 8.94 C ATOM 1014 CZ TYR A 68 20.972 18.812 3.528 1.00 9.31 C ATOM 1015 OH TYR A 68 21.938 19.503 4.227 1.00 10.22 O ATOM 0 H TYR A 68 16.917 14.723 -0.321 1.00 6.89 H new ATOM 0 HA TYR A 68 19.379 16.390 -0.466 1.00 7.01 H new ATOM 0 HB2 TYR A 68 17.354 17.266 0.845 1.00 7.18 H new ATOM 0 HB3 TYR A 68 17.573 15.893 1.912 1.00 7.18 H new ATOM 0 HD1 TYR A 68 19.169 19.025 0.698 1.00 8.20 H new ATOM 0 HD2 TYR A 68 19.311 15.887 3.581 1.00 8.17 H new ATOM 0 HE1 TYR A 68 20.863 20.267 1.970 1.00 8.96 H new ATOM 0 HE2 TYR A 68 21.001 17.136 4.853 1.00 8.94 H new ATOM 0 HH TYR A 68 22.162 19.014 5.046 1.00 10.22 H new ATOM 1025 N GLY A 69 18.923 13.370 0.163 1.00 6.15 N ATOM 1026 CA GLY A 69 19.418 12.103 0.657 1.00 6.07 C ATOM 1027 C GLY A 69 20.601 11.592 -0.136 1.00 5.90 C ATOM 1028 O GLY A 69 21.334 10.710 0.317 1.00 5.61 O ATOM 0 H GLY A 69 18.189 13.289 -0.540 1.00 6.15 H new ATOM 0 HA2 GLY A 69 19.706 12.212 1.703 1.00 6.07 H new ATOM 0 HA3 GLY A 69 18.616 11.365 0.623 1.00 6.07 H new ATOM 1032 N GLN A 70 20.782 12.151 -1.322 1.00 6.45 N ATOM 1033 CA GLN A 70 21.845 11.735 -2.221 1.00 6.69 C ATOM 1034 C GLN A 70 23.092 12.579 -2.019 1.00 6.71 C ATOM 1035 O GLN A 70 23.024 13.806 -2.004 1.00 7.25 O ATOM 1036 CB GLN A 70 21.370 11.847 -3.668 1.00 7.70 C ATOM 1037 CG GLN A 70 20.255 10.878 -4.018 1.00 8.32 C ATOM 1038 CD GLN A 70 19.596 11.212 -5.339 1.00 9.06 C ATOM 1039 OE1 GLN A 70 20.034 10.757 -6.397 1.00 9.52 O ATOM 1040 NE2 GLN A 70 18.531 11.998 -5.283 1.00 9.42 N ATOM 0 H GLN A 70 20.198 12.903 -1.687 1.00 6.45 H new ATOM 0 HA GLN A 70 22.096 10.698 -1.999 1.00 6.69 H new ATOM 0 HB2 GLN A 70 21.026 12.865 -3.851 1.00 7.70 H new ATOM 0 HB3 GLN A 70 22.215 11.671 -4.334 1.00 7.70 H new ATOM 0 HG2 GLN A 70 20.657 9.866 -4.061 1.00 8.32 H new ATOM 0 HG3 GLN A 70 19.505 10.890 -3.227 1.00 8.32 H new ATOM 0 HE21 GLN A 70 18.205 12.351 -4.384 1.00 9.42 H new ATOM 0 HE22 GLN A 70 18.037 12.250 -6.139 1.00 9.42 H new ATOM 1049 N LYS A 71 24.225 11.910 -1.868 1.00 6.35 N ATOM 1050 CA LYS A 71 25.506 12.591 -1.706 1.00 6.54 C ATOM 1051 C LYS A 71 26.660 11.657 -2.085 1.00 6.34 C ATOM 1052 O LYS A 71 27.276 11.013 -1.239 1.00 6.36 O ATOM 1053 CB LYS A 71 25.683 13.177 -0.278 1.00 6.82 C ATOM 1054 CG LYS A 71 25.723 12.162 0.872 1.00 6.50 C ATOM 1055 CD LYS A 71 24.454 11.327 0.956 1.00 6.36 C ATOM 1056 CE LYS A 71 24.382 10.523 2.244 1.00 6.74 C ATOM 1057 NZ LYS A 71 23.272 9.530 2.209 1.00 6.51 N ATOM 0 H LYS A 71 24.286 10.892 -1.854 1.00 6.35 H new ATOM 0 HA LYS A 71 25.519 13.441 -2.388 1.00 6.54 H new ATOM 0 HB2 LYS A 71 26.607 13.755 -0.257 1.00 6.82 H new ATOM 0 HB3 LYS A 71 24.867 13.875 -0.091 1.00 6.82 H new ATOM 0 HG2 LYS A 71 26.580 11.502 0.740 1.00 6.50 H new ATOM 0 HG3 LYS A 71 25.869 12.691 1.814 1.00 6.50 H new ATOM 0 HD2 LYS A 71 23.585 11.981 0.889 1.00 6.36 H new ATOM 0 HD3 LYS A 71 24.409 10.649 0.103 1.00 6.36 H new ATOM 0 HE2 LYS A 71 25.328 10.006 2.405 1.00 6.74 H new ATOM 0 HE3 LYS A 71 24.240 11.198 3.088 1.00 6.74 H new ATOM 0 HZ1 LYS A 71 22.860 9.436 3.159 1.00 6.51 H new ATOM 0 HZ2 LYS A 71 22.540 9.851 1.544 1.00 6.51 H new ATOM 0 HZ3 LYS A 71 23.640 8.608 1.899 1.00 6.51 H new ATOM 1071 N PRO A 72 26.936 11.533 -3.391 1.00 6.47 N ATOM 1072 CA PRO A 72 28.003 10.688 -3.897 1.00 6.58 C ATOM 1073 C PRO A 72 29.329 11.429 -4.011 1.00 6.47 C ATOM 1074 O PRO A 72 29.539 12.222 -4.933 1.00 6.74 O ATOM 1075 CB PRO A 72 27.499 10.271 -5.285 1.00 7.14 C ATOM 1076 CG PRO A 72 26.368 11.203 -5.623 1.00 7.24 C ATOM 1077 CD PRO A 72 26.228 12.189 -4.490 1.00 6.89 C ATOM 0 HA PRO A 72 28.206 9.849 -3.232 1.00 6.58 H new ATOM 0 HB2 PRO A 72 28.296 10.343 -6.025 1.00 7.14 H new ATOM 0 HB3 PRO A 72 27.160 9.235 -5.280 1.00 7.14 H new ATOM 0 HG2 PRO A 72 26.569 11.723 -6.559 1.00 7.24 H new ATOM 0 HG3 PRO A 72 25.442 10.645 -5.761 1.00 7.24 H new ATOM 0 HD2 PRO A 72 26.672 13.153 -4.737 1.00 6.89 H new ATOM 0 HD3 PRO A 72 25.183 12.374 -4.243 1.00 6.89 H new ATOM 1085 N GLU A 73 30.211 11.197 -3.053 1.00 6.33 N ATOM 1086 CA GLU A 73 31.548 11.772 -3.099 1.00 6.45 C ATOM 1087 C GLU A 73 32.403 11.023 -4.106 1.00 6.01 C ATOM 1088 O GLU A 73 33.121 11.625 -4.906 1.00 5.68 O ATOM 1089 CB GLU A 73 32.223 11.688 -1.731 1.00 6.92 C ATOM 1090 CG GLU A 73 31.418 12.293 -0.601 1.00 7.38 C ATOM 1091 CD GLU A 73 31.944 11.873 0.752 1.00 7.92 C ATOM 1092 OE1 GLU A 73 32.833 12.559 1.292 1.00 8.39 O ATOM 1093 OE2 GLU A 73 31.474 10.842 1.281 1.00 8.11 O ATOM 0 H GLU A 73 30.027 10.616 -2.235 1.00 6.33 H new ATOM 0 HA GLU A 73 31.452 12.818 -3.392 1.00 6.45 H new ATOM 0 HB2 GLU A 73 32.421 10.641 -1.500 1.00 6.92 H new ATOM 0 HB3 GLU A 73 33.188 12.191 -1.784 1.00 6.92 H new ATOM 0 HG2 GLU A 73 31.443 13.380 -0.679 1.00 7.38 H new ATOM 0 HG3 GLU A 73 30.375 11.990 -0.695 1.00 7.38 H new ATOM 1100 N GLN A 74 32.291 9.699 -4.053 1.00 6.31 N ATOM 1101 CA GLN A 74 33.104 8.795 -4.866 1.00 6.22 C ATOM 1102 C GLN A 74 34.589 8.969 -4.532 1.00 6.34 C ATOM 1103 O GLN A 74 35.385 9.368 -5.378 1.00 6.32 O ATOM 1104 CB GLN A 74 32.857 9.033 -6.356 1.00 6.38 C ATOM 1105 CG GLN A 74 31.403 8.868 -6.774 1.00 6.83 C ATOM 1106 CD GLN A 74 31.170 9.236 -8.222 1.00 7.20 C ATOM 1107 OE1 GLN A 74 32.057 9.101 -9.063 1.00 7.16 O ATOM 1108 NE2 GLN A 74 29.970 9.710 -8.523 1.00 7.82 N ATOM 0 H GLN A 74 31.630 9.219 -3.442 1.00 6.31 H new ATOM 0 HA GLN A 74 32.813 7.770 -4.634 1.00 6.22 H new ATOM 0 HB2 GLN A 74 33.187 10.040 -6.613 1.00 6.38 H new ATOM 0 HB3 GLN A 74 33.471 8.340 -6.931 1.00 6.38 H new ATOM 0 HG2 GLN A 74 31.097 7.835 -6.612 1.00 6.83 H new ATOM 0 HG3 GLN A 74 30.773 9.491 -6.139 1.00 6.83 H new ATOM 0 HE21 GLN A 74 29.262 9.806 -7.795 1.00 7.82 H new ATOM 0 HE22 GLN A 74 29.754 9.979 -9.483 1.00 7.82 H new ATOM 1117 N PRO A 75 34.972 8.665 -3.275 1.00 6.73 N ATOM 1118 CA PRO A 75 36.345 8.870 -2.781 1.00 7.11 C ATOM 1119 C PRO A 75 37.359 7.881 -3.362 1.00 7.12 C ATOM 1120 O PRO A 75 38.569 8.025 -3.158 1.00 7.46 O ATOM 1121 CB PRO A 75 36.203 8.660 -1.270 1.00 7.79 C ATOM 1122 CG PRO A 75 35.041 7.739 -1.128 1.00 7.64 C ATOM 1123 CD PRO A 75 34.090 8.106 -2.229 1.00 7.09 C ATOM 0 HA PRO A 75 36.729 9.849 -3.069 1.00 7.11 H new ATOM 0 HB2 PRO A 75 37.107 8.226 -0.843 1.00 7.79 H new ATOM 0 HB3 PRO A 75 36.027 9.603 -0.753 1.00 7.79 H new ATOM 0 HG2 PRO A 75 35.354 6.698 -1.213 1.00 7.64 H new ATOM 0 HG3 PRO A 75 34.570 7.851 -0.151 1.00 7.64 H new ATOM 0 HD2 PRO A 75 33.540 7.237 -2.590 1.00 7.09 H new ATOM 0 HD3 PRO A 75 33.351 8.835 -1.895 1.00 7.09 H new ATOM 1131 N SER A 76 36.875 6.870 -4.072 1.00 7.00 N ATOM 1132 CA SER A 76 37.762 5.899 -4.693 1.00 7.24 C ATOM 1133 C SER A 76 38.072 6.328 -6.128 1.00 7.24 C ATOM 1134 O SER A 76 37.454 5.854 -7.084 1.00 7.02 O ATOM 1135 CB SER A 76 37.147 4.492 -4.665 1.00 7.66 C ATOM 1136 OG SER A 76 38.088 3.508 -5.072 1.00 7.89 O ATOM 0 H SER A 76 35.881 6.703 -4.231 1.00 7.00 H new ATOM 0 HA SER A 76 38.692 5.862 -4.125 1.00 7.24 H new ATOM 0 HB2 SER A 76 36.795 4.267 -3.658 1.00 7.66 H new ATOM 0 HB3 SER A 76 36.277 4.460 -5.321 1.00 7.66 H new ATOM 0 HG SER A 76 37.669 2.623 -5.043 1.00 7.89 H new ATOM 1142 N GLY A 77 38.992 7.271 -6.255 1.00 7.81 N ATOM 1143 CA GLY A 77 39.370 7.775 -7.552 1.00 8.19 C ATOM 1144 C GLY A 77 40.655 8.566 -7.492 1.00 8.67 C ATOM 1145 O GLY A 77 40.777 9.491 -6.683 1.00 9.39 O ATOM 0 H GLY A 77 39.487 7.698 -5.472 1.00 7.81 H new ATOM 0 HA2 GLY A 77 39.487 6.942 -8.246 1.00 8.19 H new ATOM 0 HA3 GLY A 77 38.572 8.406 -7.944 1.00 8.19 H new ATOM 1149 N ALA A 78 41.609 8.181 -8.345 1.00 8.46 N ATOM 1150 CA ALA A 78 42.919 8.816 -8.436 1.00 9.08 C ATOM 1151 C ALA A 78 43.802 8.463 -7.239 1.00 9.03 C ATOM 1152 O ALA A 78 43.337 8.358 -6.102 1.00 8.98 O ATOM 1153 CB ALA A 78 42.795 10.328 -8.586 1.00 9.36 C ATOM 0 H ALA A 78 41.487 7.408 -8.999 1.00 8.46 H new ATOM 0 HA ALA A 78 43.401 8.425 -9.332 1.00 9.08 H new ATOM 0 HB1 ALA A 78 43.789 10.770 -8.651 1.00 9.36 H new ATOM 0 HB2 ALA A 78 42.235 10.559 -9.492 1.00 9.36 H new ATOM 0 HB3 ALA A 78 42.272 10.738 -7.722 1.00 9.36 H new ATOM 1159 N SER A 79 45.080 8.280 -7.510 1.00 9.25 N ATOM 1160 CA SER A 79 46.049 7.937 -6.487 1.00 9.45 C ATOM 1161 C SER A 79 47.373 8.633 -6.796 1.00 9.58 C ATOM 1162 O SER A 79 47.428 9.491 -7.677 1.00 9.90 O ATOM 1163 CB SER A 79 46.227 6.414 -6.419 1.00 9.59 C ATOM 1164 OG SER A 79 46.532 5.871 -7.691 1.00 9.83 O ATOM 0 H SER A 79 45.476 8.365 -8.446 1.00 9.25 H new ATOM 0 HA SER A 79 45.694 8.275 -5.513 1.00 9.45 H new ATOM 0 HB2 SER A 79 47.025 6.171 -5.717 1.00 9.59 H new ATOM 0 HB3 SER A 79 45.315 5.957 -6.036 1.00 9.59 H new ATOM 0 HG SER A 79 46.641 4.900 -7.615 1.00 9.83 H new ATOM 1170 N ALA A 80 48.423 8.281 -6.075 1.00 9.56 N ATOM 1171 CA ALA A 80 49.732 8.876 -6.309 1.00 9.88 C ATOM 1172 C ALA A 80 50.700 7.820 -6.796 1.00 9.90 C ATOM 1173 O ALA A 80 51.914 8.013 -6.787 1.00 10.21 O ATOM 1174 CB ALA A 80 50.243 9.525 -5.037 1.00 10.43 C ATOM 0 H ALA A 80 48.398 7.590 -5.325 1.00 9.56 H new ATOM 0 HA ALA A 80 49.643 9.645 -7.077 1.00 9.88 H new ATOM 0 HB1 ALA A 80 51.222 9.967 -5.222 1.00 10.43 H new ATOM 0 HB2 ALA A 80 49.548 10.303 -4.721 1.00 10.43 H new ATOM 0 HB3 ALA A 80 50.327 8.772 -4.253 1.00 10.43 H new ATOM 1180 N GLY A 81 50.146 6.706 -7.251 1.00 9.80 N ATOM 1181 CA GLY A 81 50.960 5.574 -7.614 1.00 10.04 C ATOM 1182 C GLY A 81 51.454 4.838 -6.392 1.00 10.12 C ATOM 1183 O GLY A 81 52.397 4.049 -6.467 1.00 10.38 O ATOM 0 H GLY A 81 49.143 6.570 -7.374 1.00 9.80 H new ATOM 0 HA2 GLY A 81 50.383 4.895 -8.241 1.00 10.04 H new ATOM 0 HA3 GLY A 81 51.811 5.910 -8.207 1.00 10.04 H new ATOM 1187 N HIS A 82 50.794 5.105 -5.265 1.00 10.09 N ATOM 1188 CA HIS A 82 51.166 4.558 -3.966 1.00 10.32 C ATOM 1189 C HIS A 82 52.485 5.152 -3.483 1.00 10.96 C ATOM 1190 O HIS A 82 52.495 5.975 -2.571 1.00 11.19 O ATOM 1191 CB HIS A 82 51.254 3.032 -3.985 1.00 10.38 C ATOM 1192 CG HIS A 82 49.955 2.338 -4.261 1.00 10.29 C ATOM 1193 ND1 HIS A 82 49.749 1.521 -5.352 1.00 10.66 N ATOM 1194 CD2 HIS A 82 48.792 2.333 -3.568 1.00 10.14 C ATOM 1195 CE1 HIS A 82 48.519 1.044 -5.319 1.00 10.73 C ATOM 1196 NE2 HIS A 82 47.922 1.520 -4.246 1.00 10.43 N ATOM 0 H HIS A 82 49.977 5.715 -5.231 1.00 10.09 H new ATOM 0 HA HIS A 82 50.374 4.835 -3.270 1.00 10.32 H new ATOM 0 HB2 HIS A 82 51.979 2.732 -4.741 1.00 10.38 H new ATOM 0 HB3 HIS A 82 51.636 2.691 -3.023 1.00 10.38 H new ATOM 0 HD2 HIS A 82 48.588 2.869 -2.653 1.00 10.14 H new ATOM 0 HE1 HIS A 82 48.078 0.378 -6.046 1.00 10.73 H new ATOM 0 HE2 HIS A 82 46.963 1.316 -3.964 1.00 10.43 H new ATOM 1205 N ARG A 83 53.591 4.712 -4.103 1.00 11.41 N ATOM 1206 CA ARG A 83 54.958 5.156 -3.772 1.00 12.20 C ATOM 1207 C ARG A 83 55.428 4.576 -2.444 1.00 12.66 C ATOM 1208 O ARG A 83 56.626 4.481 -2.165 1.00 12.79 O ATOM 1209 CB ARG A 83 55.053 6.688 -3.763 1.00 12.48 C ATOM 1210 CG ARG A 83 54.521 7.332 -5.036 1.00 12.24 C ATOM 1211 CD ARG A 83 54.413 8.843 -4.903 1.00 12.18 C ATOM 1212 NE ARG A 83 55.675 9.530 -5.165 1.00 12.92 N ATOM 1213 CZ ARG A 83 55.855 10.840 -4.995 1.00 13.33 C ATOM 1214 NH1 ARG A 83 54.913 11.575 -4.413 1.00 13.12 N ATOM 1215 NH2 ARG A 83 56.996 11.403 -5.380 1.00 14.12 N ATOM 0 H ARG A 83 53.563 4.028 -4.859 1.00 11.41 H new ATOM 0 HA ARG A 83 55.621 4.779 -4.551 1.00 12.20 H new ATOM 0 HB2 ARG A 83 54.497 7.075 -2.909 1.00 12.48 H new ATOM 0 HB3 ARG A 83 56.094 6.980 -3.624 1.00 12.48 H new ATOM 0 HG2 ARG A 83 55.179 7.087 -5.870 1.00 12.24 H new ATOM 0 HG3 ARG A 83 53.541 6.917 -5.271 1.00 12.24 H new ATOM 0 HD2 ARG A 83 53.655 9.210 -5.595 1.00 12.18 H new ATOM 0 HD3 ARG A 83 54.073 9.090 -3.897 1.00 12.18 H new ATOM 0 HE ARG A 83 56.464 8.976 -5.497 1.00 12.92 H new ATOM 0 HH11 ARG A 83 54.049 11.137 -4.095 1.00 13.12 H new ATOM 0 HH12 ARG A 83 55.055 12.577 -4.285 1.00 13.12 H new ATOM 0 HH21 ARG A 83 57.729 10.833 -5.803 1.00 14.12 H new ATOM 0 HH22 ARG A 83 57.139 12.405 -5.252 1.00 14.12 H new ATOM 1229 N PHE A 84 54.456 4.169 -1.660 1.00 13.06 N ATOM 1230 CA PHE A 84 54.656 3.603 -0.327 1.00 13.61 C ATOM 1231 C PHE A 84 55.565 4.469 0.571 1.00 14.10 C ATOM 1232 O PHE A 84 56.474 3.940 1.192 1.00 14.50 O ATOM 1233 CB PHE A 84 55.221 2.176 -0.435 1.00 14.25 C ATOM 1234 CG PHE A 84 54.330 1.230 -1.183 1.00 14.22 C ATOM 1235 CD1 PHE A 84 53.207 0.700 -0.579 1.00 14.39 C ATOM 1236 CD2 PHE A 84 54.612 0.881 -2.494 1.00 14.17 C ATOM 1237 CE1 PHE A 84 52.380 -0.164 -1.261 1.00 14.57 C ATOM 1238 CE2 PHE A 84 53.784 0.017 -3.185 1.00 14.34 C ATOM 1239 CZ PHE A 84 52.698 -0.533 -2.568 1.00 14.57 C ATOM 0 H PHE A 84 53.474 4.220 -1.931 1.00 13.06 H new ATOM 0 HA PHE A 84 53.677 3.578 0.151 1.00 13.61 H new ATOM 0 HB2 PHE A 84 56.191 2.215 -0.930 1.00 14.25 H new ATOM 0 HB3 PHE A 84 55.391 1.785 0.568 1.00 14.25 H new ATOM 0 HD1 PHE A 84 52.974 0.967 0.441 1.00 14.39 H new ATOM 0 HD2 PHE A 84 55.487 1.288 -2.980 1.00 14.17 H new ATOM 0 HE1 PHE A 84 51.491 -0.553 -0.787 1.00 14.57 H new ATOM 0 HE2 PHE A 84 53.997 -0.224 -4.216 1.00 14.34 H new ATOM 0 HZ PHE A 84 52.086 -1.253 -3.091 1.00 14.57 H new ATOM 1249 N PRO A 85 55.331 5.799 0.674 1.00 14.25 N ATOM 1250 CA PRO A 85 56.077 6.666 1.579 1.00 14.89 C ATOM 1251 C PRO A 85 55.462 6.692 2.978 1.00 14.90 C ATOM 1252 O PRO A 85 56.163 6.896 3.972 1.00 15.47 O ATOM 1253 CB PRO A 85 55.980 8.055 0.925 1.00 14.92 C ATOM 1254 CG PRO A 85 55.081 7.891 -0.265 1.00 14.53 C ATOM 1255 CD PRO A 85 54.372 6.573 -0.098 1.00 14.02 C ATOM 0 HA PRO A 85 57.103 6.324 1.716 1.00 14.89 H new ATOM 0 HB2 PRO A 85 55.574 8.787 1.623 1.00 14.92 H new ATOM 0 HB3 PRO A 85 56.964 8.414 0.624 1.00 14.92 H new ATOM 0 HG2 PRO A 85 54.365 8.710 -0.324 1.00 14.53 H new ATOM 0 HG3 PRO A 85 55.658 7.905 -1.190 1.00 14.53 H new ATOM 0 HD2 PRO A 85 53.424 6.685 0.427 1.00 14.02 H new ATOM 0 HD3 PRO A 85 54.151 6.106 -1.058 1.00 14.02 H new ATOM 1263 N GLN A 86 54.147 6.474 3.049 1.00 14.42 N ATOM 1264 CA GLN A 86 53.449 6.429 4.326 1.00 14.58 C ATOM 1265 C GLN A 86 53.973 5.251 5.123 1.00 14.98 C ATOM 1266 O GLN A 86 54.275 5.358 6.311 1.00 15.51 O ATOM 1267 CB GLN A 86 51.931 6.281 4.142 1.00 13.80 C ATOM 1268 CG GLN A 86 51.290 7.329 3.246 1.00 13.24 C ATOM 1269 CD GLN A 86 51.495 7.048 1.769 1.00 12.42 C ATOM 1270 OE1 GLN A 86 51.645 5.898 1.361 1.00 12.34 O ATOM 1271 NE2 GLN A 86 51.498 8.092 0.961 1.00 11.97 N ATOM 0 H GLN A 86 53.549 6.327 2.236 1.00 14.42 H new ATOM 0 HA GLN A 86 53.631 7.367 4.850 1.00 14.58 H new ATOM 0 HB2 GLN A 86 51.724 5.294 3.728 1.00 13.80 H new ATOM 0 HB3 GLN A 86 51.455 6.321 5.122 1.00 13.80 H new ATOM 0 HG2 GLN A 86 50.222 7.376 3.457 1.00 13.24 H new ATOM 0 HG3 GLN A 86 51.705 8.308 3.486 1.00 13.24 H new ATOM 0 HE21 GLN A 86 51.370 9.030 1.340 1.00 11.97 H new ATOM 0 HE22 GLN A 86 51.628 7.960 -0.042 1.00 11.97 H new ATOM 1280 N GLY A 87 54.102 4.133 4.431 1.00 14.85 N ATOM 1281 CA GLY A 87 54.647 2.935 5.025 1.00 15.28 C ATOM 1282 C GLY A 87 56.023 2.629 4.495 1.00 15.54 C ATOM 1283 O GLY A 87 56.416 1.470 4.408 1.00 16.04 O ATOM 0 H GLY A 87 53.834 4.034 3.452 1.00 14.85 H new ATOM 0 HA2 GLY A 87 54.692 3.053 6.108 1.00 15.28 H new ATOM 0 HA3 GLY A 87 53.984 2.094 4.823 1.00 15.28 H new ATOM 1287 N TYR A 88 56.754 3.690 4.152 1.00 15.34 N ATOM 1288 CA TYR A 88 58.085 3.559 3.578 1.00 15.74 C ATOM 1289 C TYR A 88 59.010 2.836 4.548 1.00 16.38 C ATOM 1290 O TYR A 88 59.805 1.980 4.158 1.00 16.65 O ATOM 1291 CB TYR A 88 58.668 4.939 3.252 1.00 15.89 C ATOM 1292 CG TYR A 88 59.940 4.888 2.434 1.00 16.18 C ATOM 1293 CD1 TYR A 88 61.179 4.756 3.045 1.00 16.39 C ATOM 1294 CD2 TYR A 88 59.896 4.972 1.047 1.00 16.39 C ATOM 1295 CE1 TYR A 88 62.339 4.713 2.300 1.00 16.82 C ATOM 1296 CE2 TYR A 88 61.056 4.929 0.294 1.00 16.82 C ATOM 1297 CZ TYR A 88 62.275 4.796 0.925 1.00 17.05 C ATOM 1298 OH TYR A 88 63.434 4.748 0.188 1.00 17.61 O ATOM 0 H TYR A 88 56.440 4.654 4.264 1.00 15.34 H new ATOM 0 HA TYR A 88 58.003 2.980 2.658 1.00 15.74 H new ATOM 0 HB2 TYR A 88 57.922 5.519 2.710 1.00 15.89 H new ATOM 0 HB3 TYR A 88 58.868 5.468 4.184 1.00 15.89 H new ATOM 0 HD1 TYR A 88 61.236 4.686 4.121 1.00 16.39 H new ATOM 0 HD2 TYR A 88 58.942 5.072 0.550 1.00 16.39 H new ATOM 0 HE1 TYR A 88 63.295 4.615 2.792 1.00 16.82 H new ATOM 0 HE2 TYR A 88 61.007 4.999 -0.783 1.00 16.82 H new ATOM 0 HH TYR A 88 63.218 4.818 -0.765 1.00 17.61 H new ATOM 1308 N HIS A 89 58.890 3.191 5.820 1.00 16.74 N ATOM 1309 CA HIS A 89 59.757 2.642 6.850 1.00 17.45 C ATOM 1310 C HIS A 89 58.971 2.271 8.101 1.00 17.29 C ATOM 1311 O HIS A 89 59.541 2.153 9.184 1.00 17.63 O ATOM 1312 CB HIS A 89 60.874 3.644 7.194 1.00 18.42 C ATOM 1313 CG HIS A 89 60.391 5.002 7.618 1.00 18.85 C ATOM 1314 ND1 HIS A 89 60.629 6.139 6.882 1.00 19.52 N ATOM 1315 CD2 HIS A 89 59.686 5.404 8.706 1.00 18.83 C ATOM 1316 CE1 HIS A 89 60.093 7.177 7.490 1.00 19.89 C ATOM 1317 NE2 HIS A 89 59.514 6.758 8.597 1.00 19.49 N ATOM 0 H HIS A 89 58.199 3.858 6.162 1.00 16.74 H new ATOM 0 HA HIS A 89 60.207 1.729 6.459 1.00 17.45 H new ATOM 0 HB2 HIS A 89 61.486 3.225 7.993 1.00 18.42 H new ATOM 0 HB3 HIS A 89 61.521 3.759 6.324 1.00 18.42 H new ATOM 0 HD2 HIS A 89 59.328 4.774 9.507 1.00 18.83 H new ATOM 0 HE1 HIS A 89 60.123 8.198 7.141 1.00 19.89 H new ATOM 0 HE2 HIS A 89 59.018 7.347 9.265 1.00 19.49 H new ATOM 1326 N SER A 90 57.667 2.086 7.960 1.00 16.89 N ATOM 1327 CA SER A 90 56.852 1.692 9.095 1.00 16.87 C ATOM 1328 C SER A 90 56.859 0.174 9.236 1.00 17.40 C ATOM 1329 O SER A 90 56.191 -0.532 8.476 1.00 17.57 O ATOM 1330 CB SER A 90 55.418 2.199 8.938 1.00 16.22 C ATOM 1331 OG SER A 90 54.860 1.752 7.720 1.00 16.09 O ATOM 0 H SER A 90 57.158 2.201 7.084 1.00 16.89 H new ATOM 0 HA SER A 90 57.275 2.138 9.995 1.00 16.87 H new ATOM 0 HB2 SER A 90 54.810 1.849 9.772 1.00 16.22 H new ATOM 0 HB3 SER A 90 55.407 3.288 8.971 1.00 16.22 H new ATOM 0 HG SER A 90 55.124 0.822 7.561 1.00 16.09 H new ATOM 1337 N ASP A 91 57.630 -0.328 10.188 1.00 17.78 N ATOM 1338 CA ASP A 91 57.713 -1.762 10.403 1.00 18.42 C ATOM 1339 C ASP A 91 56.628 -2.220 11.359 1.00 18.69 C ATOM 1340 O ASP A 91 56.612 -1.845 12.531 1.00 19.21 O ATOM 1341 CB ASP A 91 59.083 -2.169 10.940 1.00 19.03 C ATOM 1342 CG ASP A 91 59.177 -3.664 11.141 1.00 19.61 C ATOM 1343 OD1 ASP A 91 59.424 -4.381 10.150 1.00 20.11 O ATOM 1344 OD2 ASP A 91 59.038 -4.116 12.299 1.00 19.68 O ATOM 0 H ASP A 91 58.203 0.232 10.819 1.00 17.78 H new ATOM 0 HA ASP A 91 57.568 -2.247 9.438 1.00 18.42 H new ATOM 0 HB2 ASP A 91 59.858 -1.845 10.246 1.00 19.03 H new ATOM 0 HB3 ASP A 91 59.270 -1.661 11.886 1.00 19.03 H new ATOM 1349 N LYS A 92 55.711 -3.014 10.844 1.00 18.45 N ATOM 1350 CA LYS A 92 54.573 -3.484 11.613 1.00 18.78 C ATOM 1351 C LYS A 92 54.650 -4.997 11.825 1.00 19.35 C ATOM 1352 O LYS A 92 53.645 -5.638 12.116 1.00 19.92 O ATOM 1353 CB LYS A 92 53.276 -3.127 10.875 1.00 18.38 C ATOM 1354 CG LYS A 92 53.097 -1.637 10.594 1.00 18.13 C ATOM 1355 CD LYS A 92 52.291 -0.928 11.679 1.00 18.03 C ATOM 1356 CE LYS A 92 52.949 -1.022 13.044 1.00 17.98 C ATOM 1357 NZ LYS A 92 52.172 -0.304 14.085 1.00 17.78 N ATOM 0 H LYS A 92 55.732 -3.352 9.882 1.00 18.45 H new ATOM 0 HA LYS A 92 54.585 -3.000 12.589 1.00 18.78 H new ATOM 0 HB2 LYS A 92 53.251 -3.668 9.929 1.00 18.38 H new ATOM 0 HB3 LYS A 92 52.429 -3.477 11.465 1.00 18.38 H new ATOM 0 HG2 LYS A 92 54.077 -1.167 10.509 1.00 18.13 H new ATOM 0 HG3 LYS A 92 52.597 -1.510 9.634 1.00 18.13 H new ATOM 0 HD2 LYS A 92 52.168 0.121 11.409 1.00 18.03 H new ATOM 0 HD3 LYS A 92 51.293 -1.363 11.729 1.00 18.03 H new ATOM 0 HE2 LYS A 92 53.051 -2.070 13.326 1.00 17.98 H new ATOM 0 HE3 LYS A 92 53.955 -0.606 12.991 1.00 17.98 H new ATOM 0 HZ1 LYS A 92 52.655 -0.393 15.002 1.00 17.78 H new ATOM 0 HZ2 LYS A 92 52.096 0.701 13.830 1.00 17.78 H new ATOM 0 HZ3 LYS A 92 51.220 -0.717 14.154 1.00 17.78 H new ATOM 1371 N ARG A 93 55.849 -5.562 11.690 1.00 19.31 N ATOM 1372 CA ARG A 93 56.002 -7.015 11.752 1.00 19.91 C ATOM 1373 C ARG A 93 56.960 -7.424 12.871 1.00 20.36 C ATOM 1374 O ARG A 93 57.353 -8.588 12.957 1.00 20.53 O ATOM 1375 CB ARG A 93 56.530 -7.586 10.421 1.00 20.42 C ATOM 1376 CG ARG A 93 56.041 -6.870 9.167 1.00 20.25 C ATOM 1377 CD ARG A 93 56.904 -5.661 8.852 1.00 20.24 C ATOM 1378 NE ARG A 93 56.540 -5.018 7.595 1.00 20.81 N ATOM 1379 CZ ARG A 93 57.306 -4.115 6.986 1.00 21.12 C ATOM 1380 NH1 ARG A 93 58.451 -3.721 7.543 1.00 20.91 N ATOM 1381 NH2 ARG A 93 56.934 -3.606 5.820 1.00 21.73 N ATOM 0 H ARG A 93 56.716 -5.046 11.539 1.00 19.31 H new ATOM 0 HA ARG A 93 55.011 -7.423 11.951 1.00 19.91 H new ATOM 0 HB2 ARG A 93 57.619 -7.553 10.437 1.00 20.42 H new ATOM 0 HB3 ARG A 93 56.244 -8.636 10.356 1.00 20.42 H new ATOM 0 HG2 ARG A 93 56.055 -7.559 8.323 1.00 20.25 H new ATOM 0 HG3 ARG A 93 55.007 -6.555 9.305 1.00 20.25 H new ATOM 0 HD2 ARG A 93 56.818 -4.938 9.663 1.00 20.24 H new ATOM 0 HD3 ARG A 93 57.949 -5.968 8.808 1.00 20.24 H new ATOM 0 HE ARG A 93 55.653 -5.273 7.160 1.00 20.81 H new ATOM 0 HH11 ARG A 93 58.743 -4.111 8.439 1.00 20.91 H new ATOM 0 HH12 ARG A 93 59.035 -3.029 7.073 1.00 20.91 H new ATOM 0 HH21 ARG A 93 56.060 -3.906 5.388 1.00 21.73 H new ATOM 0 HH22 ARG A 93 57.522 -2.914 5.355 1.00 21.73 H new ATOM 1395 N ARG A 94 57.341 -6.479 13.723 1.00 20.65 N ATOM 1396 CA ARG A 94 58.313 -6.766 14.778 1.00 21.26 C ATOM 1397 C ARG A 94 57.730 -7.686 15.848 1.00 22.10 C ATOM 1398 O ARG A 94 56.512 -7.838 15.964 1.00 22.42 O ATOM 1399 CB ARG A 94 58.816 -5.479 15.435 1.00 21.34 C ATOM 1400 CG ARG A 94 57.776 -4.764 16.290 1.00 21.30 C ATOM 1401 CD ARG A 94 58.382 -3.580 17.029 1.00 21.28 C ATOM 1402 NE ARG A 94 57.532 -3.106 18.118 1.00 21.49 N ATOM 1403 CZ ARG A 94 57.996 -2.520 19.217 1.00 21.68 C ATOM 1404 NH1 ARG A 94 59.294 -2.252 19.335 1.00 21.65 N ATOM 1405 NH2 ARG A 94 57.163 -2.186 20.192 1.00 21.99 N ATOM 0 H ARG A 94 56.998 -5.518 13.708 1.00 20.65 H new ATOM 0 HA ARG A 94 59.151 -7.274 14.300 1.00 21.26 H new ATOM 0 HB2 ARG A 94 59.680 -5.716 16.056 1.00 21.34 H new ATOM 0 HB3 ARG A 94 59.160 -4.798 14.657 1.00 21.34 H new ATOM 0 HG2 ARG A 94 56.958 -4.420 15.658 1.00 21.30 H new ATOM 0 HG3 ARG A 94 57.350 -5.464 17.009 1.00 21.30 H new ATOM 0 HD2 ARG A 94 59.355 -3.865 17.429 1.00 21.28 H new ATOM 0 HD3 ARG A 94 58.553 -2.766 16.325 1.00 21.28 H new ATOM 0 HE ARG A 94 56.524 -3.232 18.030 1.00 21.49 H new ATOM 0 HH11 ARG A 94 59.936 -2.496 18.581 1.00 21.65 H new ATOM 0 HH12 ARG A 94 59.647 -1.802 20.180 1.00 21.65 H new ATOM 0 HH21 ARG A 94 56.166 -2.379 20.099 1.00 21.99 H new ATOM 0 HH22 ARG A 94 57.519 -1.736 21.035 1.00 21.99 H new ATOM 1419 N LEU A 95 58.617 -8.296 16.620 1.00 22.55 N ATOM 1420 CA LEU A 95 58.225 -9.142 17.732 1.00 23.45 C ATOM 1421 C LEU A 95 58.550 -8.428 19.036 1.00 24.13 C ATOM 1422 O LEU A 95 58.848 -7.236 19.027 1.00 24.69 O ATOM 1423 CB LEU A 95 58.960 -10.491 17.680 1.00 23.73 C ATOM 1424 CG LEU A 95 58.720 -11.343 16.427 1.00 23.32 C ATOM 1425 CD1 LEU A 95 59.563 -10.867 15.252 1.00 23.09 C ATOM 1426 CD2 LEU A 95 59.003 -12.804 16.725 1.00 23.46 C ATOM 0 H LEU A 95 59.626 -8.217 16.492 1.00 22.55 H new ATOM 0 HA LEU A 95 57.154 -9.336 17.669 1.00 23.45 H new ATOM 0 HB2 LEU A 95 60.030 -10.302 17.767 1.00 23.73 H new ATOM 0 HB3 LEU A 95 58.668 -11.075 18.553 1.00 23.73 H new ATOM 0 HG LEU A 95 57.673 -11.233 16.145 1.00 23.32 H new ATOM 0 HD11 LEU A 95 59.365 -11.495 14.384 1.00 23.09 H new ATOM 0 HD12 LEU A 95 59.309 -9.833 15.017 1.00 23.09 H new ATOM 0 HD13 LEU A 95 60.619 -10.931 15.513 1.00 23.09 H new ATOM 0 HD21 LEU A 95 58.829 -13.399 15.828 1.00 23.46 H new ATOM 0 HD22 LEU A 95 60.040 -12.917 17.040 1.00 23.46 H new ATOM 0 HD23 LEU A 95 58.343 -13.147 17.522 1.00 23.46 H new ATOM 1438 N SER A 96 58.508 -9.158 20.143 1.00 24.14 N ATOM 1439 CA SER A 96 58.862 -8.604 21.444 1.00 24.84 C ATOM 1440 C SER A 96 60.323 -8.166 21.476 1.00 25.65 C ATOM 1441 O SER A 96 60.645 -7.087 21.972 1.00 26.06 O ATOM 1442 CB SER A 96 58.587 -9.631 22.543 1.00 25.35 C ATOM 1443 OG SER A 96 59.119 -10.902 22.204 1.00 25.01 O ATOM 0 H SER A 96 58.231 -10.139 20.166 1.00 24.14 H new ATOM 0 HA SER A 96 58.245 -7.723 21.620 1.00 24.84 H new ATOM 0 HB2 SER A 96 59.025 -9.289 23.481 1.00 25.35 H new ATOM 0 HB3 SER A 96 57.512 -9.715 22.705 1.00 25.35 H new ATOM 0 HG SER A 96 58.930 -11.538 22.925 1.00 25.01 H new ATOM 1449 N LYS A 97 61.212 -9.012 20.962 1.00 25.95 N ATOM 1450 CA LYS A 97 62.616 -8.639 20.868 1.00 26.80 C ATOM 1451 C LYS A 97 62.972 -8.280 19.429 1.00 26.62 C ATOM 1452 O LYS A 97 63.720 -7.335 19.187 1.00 27.28 O ATOM 1453 CB LYS A 97 63.545 -9.742 21.429 1.00 27.31 C ATOM 1454 CG LYS A 97 63.873 -10.899 20.487 1.00 27.15 C ATOM 1455 CD LYS A 97 62.669 -11.774 20.185 1.00 27.42 C ATOM 1456 CE LYS A 97 63.108 -13.170 19.744 1.00 27.89 C ATOM 1457 NZ LYS A 97 64.139 -13.140 18.664 1.00 28.52 N ATOM 0 H LYS A 97 60.989 -9.943 20.611 1.00 25.95 H new ATOM 0 HA LYS A 97 62.773 -7.757 21.489 1.00 26.80 H new ATOM 0 HB2 LYS A 97 64.481 -9.276 21.736 1.00 27.31 H new ATOM 0 HB3 LYS A 97 63.084 -10.153 22.327 1.00 27.31 H new ATOM 0 HG2 LYS A 97 64.269 -10.500 19.553 1.00 27.15 H new ATOM 0 HG3 LYS A 97 64.658 -11.511 20.931 1.00 27.15 H new ATOM 0 HD2 LYS A 97 62.038 -11.849 21.070 1.00 27.42 H new ATOM 0 HD3 LYS A 97 62.066 -11.313 19.402 1.00 27.42 H new ATOM 0 HE2 LYS A 97 63.505 -13.709 20.604 1.00 27.89 H new ATOM 0 HE3 LYS A 97 62.238 -13.725 19.394 1.00 27.89 H new ATOM 0 HZ1 LYS A 97 64.263 -14.097 18.276 1.00 28.52 H new ATOM 0 HZ2 LYS A 97 63.830 -12.497 17.907 1.00 28.52 H new ATOM 0 HZ3 LYS A 97 65.042 -12.805 19.056 1.00 28.52 H new ATOM 1471 N ALA A 98 62.418 -9.045 18.480 1.00 25.81 N ATOM 1472 CA ALA A 98 62.597 -8.806 17.044 1.00 25.63 C ATOM 1473 C ALA A 98 64.056 -8.955 16.589 1.00 26.23 C ATOM 1474 O ALA A 98 64.354 -8.849 15.401 1.00 26.50 O ATOM 1475 CB ALA A 98 62.051 -7.436 16.658 1.00 25.39 C ATOM 0 H ALA A 98 61.830 -9.852 18.689 1.00 25.81 H new ATOM 0 HA ALA A 98 62.029 -9.578 16.525 1.00 25.63 H new ATOM 0 HB1 ALA A 98 62.192 -7.276 15.589 1.00 25.39 H new ATOM 0 HB2 ALA A 98 60.988 -7.388 16.895 1.00 25.39 H new ATOM 0 HB3 ALA A 98 62.582 -6.663 17.214 1.00 25.39 H new ATOM 1481 N SER A 99 64.957 -9.211 17.525 1.00 26.50 N ATOM 1482 CA SER A 99 66.364 -9.332 17.214 1.00 27.15 C ATOM 1483 C SER A 99 66.727 -10.767 16.862 1.00 27.64 C ATOM 1484 O SER A 99 66.825 -11.631 17.735 1.00 28.00 O ATOM 1485 CB SER A 99 67.203 -8.833 18.391 1.00 27.13 C ATOM 1486 OG SER A 99 66.712 -9.339 19.625 1.00 26.99 O ATOM 0 H SER A 99 64.732 -9.339 18.512 1.00 26.50 H new ATOM 0 HA SER A 99 66.579 -8.715 16.342 1.00 27.15 H new ATOM 0 HB2 SER A 99 68.240 -9.139 18.257 1.00 27.13 H new ATOM 0 HB3 SER A 99 67.192 -7.743 18.412 1.00 27.13 H new ATOM 0 HG SER A 99 66.522 -10.296 19.534 1.00 26.99 H new ATOM 1492 N SER A 100 66.890 -11.025 15.579 1.00 27.71 N ATOM 1493 CA SER A 100 67.429 -12.290 15.128 1.00 28.26 C ATOM 1494 C SER A 100 68.941 -12.149 14.969 1.00 28.98 C ATOM 1495 O SER A 100 69.456 -11.938 13.871 1.00 29.38 O ATOM 1496 CB SER A 100 66.772 -12.717 13.818 1.00 28.27 C ATOM 1497 OG SER A 100 65.356 -12.710 13.944 1.00 28.11 O ATOM 0 H SER A 100 66.656 -10.373 14.830 1.00 27.71 H new ATOM 0 HA SER A 100 67.217 -13.066 15.863 1.00 28.26 H new ATOM 0 HB2 SER A 100 67.075 -12.043 13.016 1.00 28.27 H new ATOM 0 HB3 SER A 100 67.113 -13.715 13.542 1.00 28.27 H new ATOM 0 HG SER A 100 64.951 -12.984 13.095 1.00 28.11 H new ATOM 1503 N LYS A 101 69.640 -12.242 16.092 1.00 29.21 N ATOM 1504 CA LYS A 101 71.059 -11.916 16.164 1.00 29.94 C ATOM 1505 C LYS A 101 71.951 -13.015 15.595 1.00 30.44 C ATOM 1506 O LYS A 101 73.175 -12.887 15.582 1.00 31.19 O ATOM 1507 CB LYS A 101 71.435 -11.586 17.610 1.00 30.31 C ATOM 1508 CG LYS A 101 70.856 -12.547 18.632 1.00 30.08 C ATOM 1509 CD LYS A 101 71.849 -13.627 19.031 1.00 30.22 C ATOM 1510 CE LYS A 101 71.268 -14.542 20.096 1.00 30.12 C ATOM 1511 NZ LYS A 101 72.295 -15.451 20.673 1.00 30.42 N ATOM 0 H LYS A 101 69.240 -12.546 16.980 1.00 29.21 H new ATOM 0 HA LYS A 101 71.231 -11.041 15.536 1.00 29.94 H new ATOM 0 HB2 LYS A 101 72.521 -11.585 17.701 1.00 30.31 H new ATOM 0 HB3 LYS A 101 71.095 -10.577 17.842 1.00 30.31 H new ATOM 0 HG2 LYS A 101 70.550 -11.991 19.518 1.00 30.08 H new ATOM 0 HG3 LYS A 101 69.960 -13.013 18.223 1.00 30.08 H new ATOM 0 HD2 LYS A 101 72.124 -14.214 18.154 1.00 30.22 H new ATOM 0 HD3 LYS A 101 72.763 -13.165 19.404 1.00 30.22 H new ATOM 0 HE2 LYS A 101 70.830 -13.939 20.891 1.00 30.12 H new ATOM 0 HE3 LYS A 101 70.462 -15.134 19.664 1.00 30.12 H new ATOM 0 HZ1 LYS A 101 71.856 -16.057 21.395 1.00 30.42 H new ATOM 0 HZ2 LYS A 101 72.696 -16.045 19.919 1.00 30.42 H new ATOM 0 HZ3 LYS A 101 73.052 -14.887 21.109 1.00 30.42 H new ATOM 1525 N ALA A 102 71.343 -14.088 15.127 1.00 30.08 N ATOM 1526 CA ALA A 102 72.063 -15.107 14.379 1.00 30.58 C ATOM 1527 C ALA A 102 71.465 -15.214 12.984 1.00 30.59 C ATOM 1528 O ALA A 102 71.880 -16.040 12.169 1.00 30.68 O ATOM 1529 CB ALA A 102 71.998 -16.444 15.101 1.00 30.57 C ATOM 0 H ALA A 102 70.349 -14.279 15.251 1.00 30.08 H new ATOM 0 HA ALA A 102 73.113 -14.826 14.298 1.00 30.58 H new ATOM 0 HB1 ALA A 102 72.542 -17.194 14.527 1.00 30.57 H new ATOM 0 HB2 ALA A 102 72.448 -16.346 16.089 1.00 30.57 H new ATOM 0 HB3 ALA A 102 70.957 -16.751 15.205 1.00 30.57 H new ATOM 1535 N ARG A 103 70.496 -14.334 12.725 1.00 30.57 N ATOM 1536 CA ARG A 103 69.727 -14.312 11.481 1.00 30.65 C ATOM 1537 C ARG A 103 68.856 -15.566 11.357 1.00 30.77 C ATOM 1538 O ARG A 103 67.653 -15.497 11.594 1.00 30.46 O ATOM 1539 CB ARG A 103 70.638 -14.136 10.255 1.00 31.34 C ATOM 1540 CG ARG A 103 71.422 -12.824 10.259 1.00 31.28 C ATOM 1541 CD ARG A 103 70.495 -11.615 10.226 1.00 31.10 C ATOM 1542 NE ARG A 103 71.227 -10.361 10.397 1.00 31.07 N ATOM 1543 CZ ARG A 103 70.681 -9.148 10.300 1.00 31.03 C ATOM 1544 NH1 ARG A 103 69.408 -8.995 9.959 1.00 31.01 N ATOM 1545 NH2 ARG A 103 71.425 -8.072 10.522 1.00 31.09 N ATOM 0 H ARG A 103 70.220 -13.606 13.384 1.00 30.57 H new ATOM 0 HA ARG A 103 69.065 -13.446 11.514 1.00 30.65 H new ATOM 0 HB2 ARG A 103 71.340 -14.969 10.212 1.00 31.34 H new ATOM 0 HB3 ARG A 103 70.030 -14.184 9.351 1.00 31.34 H new ATOM 0 HG2 ARG A 103 72.050 -12.778 11.149 1.00 31.28 H new ATOM 0 HG3 ARG A 103 72.089 -12.795 9.397 1.00 31.28 H new ATOM 0 HD2 ARG A 103 69.958 -11.595 9.278 1.00 31.10 H new ATOM 0 HD3 ARG A 103 69.748 -11.709 11.014 1.00 31.10 H new ATOM 0 HE ARG A 103 72.224 -10.418 10.605 1.00 31.07 H new ATOM 0 HH11 ARG A 103 68.830 -9.813 9.766 1.00 31.01 H new ATOM 0 HH12 ARG A 103 69.007 -8.059 9.890 1.00 31.01 H new ATOM 0 HH21 ARG A 103 72.410 -8.175 10.766 1.00 31.09 H new ATOM 0 HH22 ARG A 103 71.012 -7.142 10.449 1.00 31.09 H new ATOM 1559 N SER A 104 69.472 -16.701 10.995 1.00 31.30 N ATOM 1560 CA SER A 104 68.774 -17.994 10.898 1.00 31.63 C ATOM 1561 C SER A 104 67.680 -17.978 9.823 1.00 32.26 C ATOM 1562 O SER A 104 66.965 -18.967 9.637 1.00 32.63 O ATOM 1563 CB SER A 104 68.183 -18.376 12.266 1.00 31.49 C ATOM 1564 OG SER A 104 67.395 -19.552 12.195 1.00 31.60 O ATOM 0 H SER A 104 70.464 -16.750 10.762 1.00 31.30 H new ATOM 0 HA SER A 104 69.505 -18.745 10.600 1.00 31.63 H new ATOM 0 HB2 SER A 104 68.992 -18.524 12.982 1.00 31.49 H new ATOM 0 HB3 SER A 104 67.573 -17.553 12.640 1.00 31.49 H new ATOM 0 HG SER A 104 66.537 -19.346 11.768 1.00 31.60 H new ATOM 1570 N ASP A 105 67.592 -16.868 9.094 1.00 32.44 N ATOM 1571 CA ASP A 105 66.524 -16.630 8.123 1.00 33.10 C ATOM 1572 C ASP A 105 65.208 -16.386 8.852 1.00 33.71 C ATOM 1573 O ASP A 105 64.847 -15.236 9.095 1.00 33.79 O ATOM 1574 CB ASP A 105 66.391 -17.789 7.123 1.00 32.92 C ATOM 1575 CG ASP A 105 65.366 -17.534 6.039 1.00 33.34 C ATOM 1576 OD1 ASP A 105 64.156 -17.656 6.309 1.00 33.43 O ATOM 1577 OD2 ASP A 105 65.773 -17.237 4.899 1.00 33.66 O ATOM 0 H ASP A 105 68.263 -16.103 9.160 1.00 32.44 H new ATOM 0 HA ASP A 105 66.782 -15.742 7.546 1.00 33.10 H new ATOM 0 HB2 ASP A 105 67.361 -17.972 6.660 1.00 32.92 H new ATOM 0 HB3 ASP A 105 66.119 -18.696 7.663 1.00 32.92 H new ATOM 1582 N ASP A 106 64.516 -17.471 9.215 1.00 34.21 N ATOM 1583 CA ASP A 106 63.236 -17.396 9.937 1.00 34.91 C ATOM 1584 C ASP A 106 62.239 -16.485 9.219 1.00 35.10 C ATOM 1585 O ASP A 106 61.357 -15.904 9.850 1.00 35.16 O ATOM 1586 CB ASP A 106 63.454 -16.912 11.385 1.00 35.27 C ATOM 1587 CG ASP A 106 63.930 -18.017 12.315 1.00 35.62 C ATOM 1588 OD1 ASP A 106 64.957 -18.664 12.012 1.00 35.68 O ATOM 1589 OD2 ASP A 106 63.276 -18.258 13.349 1.00 35.89 O ATOM 0 H ASP A 106 64.824 -18.424 9.019 1.00 34.21 H new ATOM 0 HA ASP A 106 62.815 -18.401 9.962 1.00 34.91 H new ATOM 0 HB2 ASP A 106 64.185 -16.104 11.386 1.00 35.27 H new ATOM 0 HB3 ASP A 106 62.521 -16.498 11.768 1.00 35.27 H new ATOM 1594 N LEU A 107 62.378 -16.391 7.890 1.00 35.27 N ATOM 1595 CA LEU A 107 61.516 -15.545 7.055 1.00 35.52 C ATOM 1596 C LEU A 107 61.699 -14.060 7.402 1.00 35.58 C ATOM 1597 O LEU A 107 60.855 -13.220 7.079 1.00 35.79 O ATOM 1598 CB LEU A 107 60.042 -15.961 7.204 1.00 36.22 C ATOM 1599 CG LEU A 107 59.072 -15.327 6.201 1.00 36.57 C ATOM 1600 CD1 LEU A 107 59.441 -15.723 4.782 1.00 36.81 C ATOM 1601 CD2 LEU A 107 57.639 -15.727 6.514 1.00 36.78 C ATOM 0 H LEU A 107 63.090 -16.898 7.364 1.00 35.27 H new ATOM 0 HA LEU A 107 61.810 -15.685 6.015 1.00 35.52 H new ATOM 0 HB2 LEU A 107 59.977 -17.045 7.110 1.00 36.22 H new ATOM 0 HB3 LEU A 107 59.712 -15.708 8.212 1.00 36.22 H new ATOM 0 HG LEU A 107 59.149 -14.243 6.287 1.00 36.57 H new ATOM 0 HD11 LEU A 107 58.742 -15.264 4.083 1.00 36.81 H new ATOM 0 HD12 LEU A 107 60.452 -15.382 4.560 1.00 36.81 H new ATOM 0 HD13 LEU A 107 59.394 -16.807 4.683 1.00 36.81 H new ATOM 0 HD21 LEU A 107 56.966 -15.266 5.790 1.00 36.78 H new ATOM 0 HD22 LEU A 107 57.544 -16.811 6.459 1.00 36.78 H new ATOM 0 HD23 LEU A 107 57.378 -15.390 7.517 1.00 36.78 H new ATOM 1613 N SER A 108 62.817 -13.738 8.041 1.00 35.45 N ATOM 1614 CA SER A 108 63.117 -12.365 8.419 1.00 35.56 C ATOM 1615 C SER A 108 64.452 -11.925 7.815 1.00 34.99 C ATOM 1616 O SER A 108 64.512 -10.930 7.091 1.00 35.21 O ATOM 1617 CB SER A 108 63.153 -12.236 9.945 1.00 35.92 C ATOM 1618 OG SER A 108 63.456 -10.910 10.347 1.00 36.22 O ATOM 0 H SER A 108 63.533 -14.413 8.309 1.00 35.45 H new ATOM 0 HA SER A 108 62.333 -11.715 8.031 1.00 35.56 H new ATOM 0 HB2 SER A 108 62.189 -12.532 10.359 1.00 35.92 H new ATOM 0 HB3 SER A 108 63.898 -12.920 10.352 1.00 35.92 H new ATOM 0 HG SER A 108 63.470 -10.860 11.326 1.00 36.22 H new ATOM 1624 N VAL A 109 65.502 -12.690 8.113 1.00 34.34 N ATOM 1625 CA VAL A 109 66.859 -12.394 7.662 1.00 33.84 C ATOM 1626 C VAL A 109 67.272 -10.997 8.115 1.00 33.57 C ATOM 1627 O VAL A 109 67.589 -10.840 9.309 1.00 33.71 O ATOM 1628 CB VAL A 109 67.017 -12.529 6.125 1.00 33.11 C ATOM 1629 CG1 VAL A 109 68.482 -12.405 5.720 1.00 32.97 C ATOM 1630 CG2 VAL A 109 66.444 -13.856 5.646 1.00 33.19 C ATOM 1631 OXT VAL A 109 67.294 -10.077 7.281 1.00 33.28 O ATOM 0 H VAL A 109 65.433 -13.537 8.677 1.00 34.34 H new ATOM 0 HA VAL A 109 67.517 -13.134 8.117 1.00 33.84 H new ATOM 0 HB VAL A 109 66.461 -11.719 5.652 1.00 33.11 H new ATOM 0 HG11 VAL A 109 68.570 -12.503 4.638 1.00 32.97 H new ATOM 0 HG12 VAL A 109 68.864 -11.432 6.029 1.00 32.97 H new ATOM 0 HG13 VAL A 109 69.061 -13.192 6.204 1.00 32.97 H new ATOM 0 HG21 VAL A 109 66.563 -13.935 4.565 1.00 33.19 H new ATOM 0 HG22 VAL A 109 66.973 -14.677 6.130 1.00 33.19 H new ATOM 0 HG23 VAL A 109 65.385 -13.908 5.899 1.00 33.19 H new TER 1641 VAL A 109