USER MOD reduce.3.24.130724 H: found=0, std=0, add=704, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 699 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 15 SER OG : rot 80:sc= 0.368 USER MOD Set 1.2: A 78 LYS NZ :NH3+ 167:sc= 0.358 (180deg=-0.266) USER MOD Set 2.1: A 31 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 34 ASN : amide:sc= 1.44 K(o=1.4,f=-2.2!) USER MOD Set 3.1: A 17 MET CE :methyl 175:sc= -0.124 (180deg=-0.207) USER MOD Set 3.2: A 32 SER OG : rot 35:sc= 1.26 USER MOD Set 4.1: A 16 THR OG1 : rot 180:sc= 0.173 USER MOD Set 4.2: A 39 LYS NZ :NH3+ -122:sc= 0.182 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 171:sc= 1.29 (180deg=1.11) USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 3 MET CE :methyl -154:sc= 0 (180deg=-0.0278) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= 0.683 K(o=0.68,f=-0.87) USER MOD Single : A 12 ASN : amide:sc= 0.354 K(o=0.35,f=-1.6!) USER MOD Single : A 14 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.105 USER MOD Single : A 44 GLN : amide:sc= 0.496 K(o=0.5,f=-0.22) USER MOD Single : A 46 ASN : amide:sc= 0.329 K(o=0.33,f=-1.9) USER MOD Single : A 53 GLN : amide:sc= -1.67 K(o=-1.7,f=-0.056) USER MOD Single : A 55 SER OG : rot 180:sc=-0.00564 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.0175 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 GLN : amide:sc= -1.63 K(o=-1.6,f=-0.0098) USER MOD Single : A 67 GLN : amide:sc= 0.532 K(o=0.53,f=-0.93) USER MOD Single : A 70 HIS : no HD1:sc= -0.238 X(o=-0.24,f=-0.067) USER MOD Single : A 74 THR OG1 : rot 59:sc= 1.12 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0.0521 USER MOD Single : A 81 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 LYS NZ :NH3+ -146:sc= 1.35 (180deg=1.15) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.612 10.232 2.562 1.00 72.14 N ATOM 2 CA GLY A 1 8.196 11.444 3.142 1.00 73.51 C ATOM 3 C GLY A 1 8.299 12.528 2.094 1.00 33.24 C ATOM 4 O GLY A 1 7.534 12.521 1.130 1.00 74.42 O ATOM 0 H1 GLY A 1 7.686 9.450 3.244 1.00 72.14 H new ATOM 0 H2 GLY A 1 6.611 10.402 2.337 1.00 72.14 H new ATOM 0 H3 GLY A 1 8.124 9.982 1.692 1.00 72.14 H new ATOM 0 HA2 GLY A 1 7.582 11.790 3.974 1.00 73.51 H new ATOM 0 HA3 GLY A 1 9.184 11.223 3.545 1.00 73.51 H new ATOM 8 N HIS A 2 9.263 13.437 2.261 1.00 4.02 N ATOM 9 CA HIS A 2 9.607 14.428 1.243 1.00 61.32 C ATOM 10 C HIS A 2 9.933 13.764 -0.096 1.00 20.35 C ATOM 11 O HIS A 2 9.579 14.308 -1.135 1.00 52.40 O ATOM 12 CB HIS A 2 10.792 15.280 1.708 1.00 61.40 C ATOM 13 CG HIS A 2 10.419 16.298 2.750 1.00 14.35 C ATOM 14 ND1 HIS A 2 9.923 17.554 2.491 1.00 55.43 N ATOM 15 CD2 HIS A 2 10.552 16.171 4.105 1.00 61.20 C ATOM 16 CE1 HIS A 2 9.783 18.194 3.662 1.00 24.45 C ATOM 17 NE2 HIS A 2 10.155 17.387 4.678 1.00 62.30 N ATOM 0 H HIS A 2 9.827 13.505 3.108 1.00 4.02 H new ATOM 0 HA HIS A 2 8.738 15.071 1.099 1.00 61.32 H new ATOM 0 HB2 HIS A 2 11.566 14.626 2.110 1.00 61.40 H new ATOM 0 HB3 HIS A 2 11.223 15.792 0.847 1.00 61.40 H new ATOM 0 HD2 HIS A 2 10.899 15.296 4.635 1.00 61.20 H new ATOM 0 HE1 HIS A 2 9.425 19.207 3.775 1.00 24.45 H new ATOM 0 HE2 HIS A 2 10.148 17.618 5.672 1.00 62.30 H new ATOM 25 N MET A 3 10.569 12.590 -0.093 1.00 22.24 N ATOM 26 CA MET A 3 10.797 11.825 -1.306 1.00 72.12 C ATOM 27 C MET A 3 10.861 10.340 -0.953 1.00 20.14 C ATOM 28 O MET A 3 11.947 9.808 -0.758 1.00 42.44 O ATOM 29 CB MET A 3 12.055 12.340 -2.036 1.00 55.54 C ATOM 30 CG MET A 3 13.343 12.343 -1.203 1.00 54.45 C ATOM 31 SD MET A 3 13.992 13.961 -0.737 1.00 54.14 S ATOM 32 CE MET A 3 15.749 13.523 -0.626 1.00 3.11 C ATOM 0 H MET A 3 10.937 12.150 0.751 1.00 22.24 H new ATOM 0 HA MET A 3 9.971 11.956 -2.006 1.00 72.12 H new ATOM 0 HB2 MET A 3 12.217 11.727 -2.922 1.00 55.54 H new ATOM 0 HB3 MET A 3 11.864 13.356 -2.382 1.00 55.54 H new ATOM 0 HG2 MET A 3 13.162 11.772 -0.292 1.00 54.45 H new ATOM 0 HG3 MET A 3 14.114 11.814 -1.763 1.00 54.45 H new ATOM 0 HE1 MET A 3 16.250 14.202 0.064 1.00 3.11 H new ATOM 0 HE2 MET A 3 15.847 12.500 -0.264 1.00 3.11 H new ATOM 0 HE3 MET A 3 16.207 13.604 -1.612 1.00 3.11 H new ATOM 42 N ASP A 4 9.705 9.683 -0.831 1.00 62.21 N ATOM 43 CA ASP A 4 9.555 8.225 -0.748 1.00 44.42 C ATOM 44 C ASP A 4 8.083 7.922 -0.486 1.00 53.01 C ATOM 45 O ASP A 4 7.594 8.196 0.617 1.00 31.30 O ATOM 46 CB ASP A 4 10.409 7.588 0.372 1.00 52.45 C ATOM 47 CG ASP A 4 11.453 6.564 -0.100 1.00 54.15 C ATOM 48 OD1 ASP A 4 11.962 5.807 0.750 1.00 44.44 O ATOM 49 OD2 ASP A 4 11.745 6.493 -1.314 1.00 20.31 O ATOM 0 H ASP A 4 8.810 10.171 -0.785 1.00 62.21 H new ATOM 0 HA ASP A 4 9.902 7.797 -1.688 1.00 44.42 H new ATOM 0 HB2 ASP A 4 10.923 8.384 0.912 1.00 52.45 H new ATOM 0 HB3 ASP A 4 9.741 7.101 1.083 1.00 52.45 H new ATOM 54 N THR A 5 7.368 7.381 -1.466 1.00 22.53 N ATOM 55 CA THR A 5 5.996 6.888 -1.352 1.00 52.45 C ATOM 56 C THR A 5 5.955 5.508 -2.017 1.00 40.02 C ATOM 57 O THR A 5 6.545 5.305 -3.083 1.00 53.53 O ATOM 58 CB THR A 5 5.011 7.842 -2.057 1.00 12.34 C ATOM 59 OG1 THR A 5 5.126 9.161 -1.564 1.00 31.34 O ATOM 60 CG2 THR A 5 3.551 7.418 -1.882 1.00 63.21 C ATOM 0 H THR A 5 7.745 7.268 -2.407 1.00 22.53 H new ATOM 0 HA THR A 5 5.701 6.828 -0.304 1.00 52.45 H new ATOM 0 HB THR A 5 5.279 7.799 -3.113 1.00 12.34 H new ATOM 0 HG1 THR A 5 4.490 9.742 -2.032 1.00 31.34 H new ATOM 0 HG21 THR A 5 2.902 8.125 -2.399 1.00 63.21 H new ATOM 0 HG22 THR A 5 3.409 6.422 -2.301 1.00 63.21 H new ATOM 0 HG23 THR A 5 3.301 7.404 -0.821 1.00 63.21 H new ATOM 68 N ILE A 6 5.215 4.579 -1.418 1.00 24.42 N ATOM 69 CA ILE A 6 4.768 3.349 -2.062 1.00 64.12 C ATOM 70 C ILE A 6 3.281 3.567 -2.358 1.00 75.23 C ATOM 71 O ILE A 6 2.562 4.111 -1.514 1.00 21.23 O ATOM 72 CB ILE A 6 5.059 2.121 -1.160 1.00 74.12 C ATOM 73 CG1 ILE A 6 6.555 2.071 -0.781 1.00 60.13 C ATOM 74 CG2 ILE A 6 4.595 0.801 -1.799 1.00 22.32 C ATOM 75 CD1 ILE A 6 6.924 0.907 0.140 1.00 12.20 C ATOM 0 H ILE A 6 4.903 4.663 -0.450 1.00 24.42 H new ATOM 0 HA ILE A 6 5.300 3.132 -2.988 1.00 64.12 H new ATOM 0 HB ILE A 6 4.476 2.241 -0.247 1.00 74.12 H new ATOM 0 HG12 ILE A 6 7.148 2.002 -1.693 1.00 60.13 H new ATOM 0 HG13 ILE A 6 6.827 3.007 -0.294 1.00 60.13 H new ATOM 0 HG21 ILE A 6 4.822 -0.027 -1.128 1.00 22.32 H new ATOM 0 HG22 ILE A 6 3.520 0.841 -1.977 1.00 22.32 H new ATOM 0 HG23 ILE A 6 5.114 0.653 -2.746 1.00 22.32 H new ATOM 0 HD11 ILE A 6 7.991 0.941 0.360 1.00 12.20 H new ATOM 0 HD12 ILE A 6 6.359 0.985 1.069 1.00 12.20 H new ATOM 0 HD13 ILE A 6 6.685 -0.036 -0.352 1.00 12.20 H new ATOM 87 N ILE A 7 2.820 3.178 -3.545 1.00 53.41 N ATOM 88 CA ILE A 7 1.401 3.082 -3.896 1.00 43.05 C ATOM 89 C ILE A 7 1.081 1.598 -4.042 1.00 20.34 C ATOM 90 O ILE A 7 1.971 0.783 -4.289 1.00 15.04 O ATOM 91 CB ILE A 7 1.078 3.912 -5.165 1.00 73.32 C ATOM 92 CG1 ILE A 7 1.497 5.386 -5.007 1.00 53.04 C ATOM 93 CG2 ILE A 7 -0.394 3.888 -5.627 1.00 3.30 C ATOM 94 CD1 ILE A 7 2.609 5.731 -5.982 1.00 54.32 C ATOM 0 H ILE A 7 3.439 2.913 -4.312 1.00 53.41 H new ATOM 0 HA ILE A 7 0.767 3.510 -3.119 1.00 43.05 H new ATOM 0 HB ILE A 7 1.664 3.410 -5.934 1.00 73.32 H new ATOM 0 HG12 ILE A 7 0.639 6.035 -5.181 1.00 53.04 H new ATOM 0 HG13 ILE A 7 1.832 5.567 -3.986 1.00 53.04 H new ATOM 0 HG21 ILE A 7 -0.505 4.501 -6.521 1.00 3.30 H new ATOM 0 HG22 ILE A 7 -0.688 2.863 -5.851 1.00 3.30 H new ATOM 0 HG23 ILE A 7 -1.030 4.283 -4.835 1.00 3.30 H new ATOM 0 HD11 ILE A 7 2.892 6.776 -5.856 1.00 54.32 H new ATOM 0 HD12 ILE A 7 3.473 5.095 -5.788 1.00 54.32 H new ATOM 0 HD13 ILE A 7 2.261 5.570 -7.002 1.00 54.32 H new ATOM 106 N LEU A 8 -0.195 1.255 -3.900 1.00 22.11 N ATOM 107 CA LEU A 8 -0.721 -0.082 -4.081 1.00 53.45 C ATOM 108 C LEU A 8 -1.872 0.009 -5.073 1.00 23.33 C ATOM 109 O LEU A 8 -2.553 1.037 -5.116 1.00 14.40 O ATOM 110 CB LEU A 8 -1.239 -0.685 -2.771 1.00 14.30 C ATOM 111 CG LEU A 8 -0.229 -0.835 -1.624 1.00 41.24 C ATOM 112 CD1 LEU A 8 -0.090 0.464 -0.825 1.00 73.53 C ATOM 113 CD2 LEU A 8 -0.727 -1.920 -0.665 1.00 23.51 C ATOM 0 H LEU A 8 -0.915 1.932 -3.646 1.00 22.11 H new ATOM 0 HA LEU A 8 0.080 -0.728 -4.441 1.00 53.45 H new ATOM 0 HB2 LEU A 8 -2.064 -0.067 -2.417 1.00 14.30 H new ATOM 0 HB3 LEU A 8 -1.650 -1.670 -2.991 1.00 14.30 H new ATOM 0 HG LEU A 8 0.737 -1.092 -2.058 1.00 41.24 H new ATOM 0 HD11 LEU A 8 0.633 0.321 -0.021 1.00 73.53 H new ATOM 0 HD12 LEU A 8 0.253 1.262 -1.484 1.00 73.53 H new ATOM 0 HD13 LEU A 8 -1.056 0.735 -0.400 1.00 73.53 H new ATOM 0 HD21 LEU A 8 -0.017 -2.035 0.154 1.00 23.51 H new ATOM 0 HD22 LEU A 8 -1.700 -1.633 -0.265 1.00 23.51 H new ATOM 0 HD23 LEU A 8 -0.819 -2.865 -1.201 1.00 23.51 H new ATOM 125 N ARG A 9 -2.156 -1.068 -5.808 1.00 53.24 N ATOM 126 CA ARG A 9 -3.281 -1.123 -6.749 1.00 35.14 C ATOM 127 C ARG A 9 -4.059 -2.410 -6.530 1.00 54.44 C ATOM 128 O ARG A 9 -3.511 -3.350 -5.955 1.00 35.14 O ATOM 129 CB ARG A 9 -2.830 -1.025 -8.222 1.00 11.22 C ATOM 130 CG ARG A 9 -1.535 -0.248 -8.501 1.00 12.23 C ATOM 131 CD ARG A 9 -1.248 -0.214 -10.008 1.00 62.12 C ATOM 132 NE ARG A 9 -0.304 0.852 -10.393 1.00 0.23 N ATOM 133 CZ ARG A 9 0.079 1.149 -11.642 1.00 13.21 C ATOM 134 NH1 ARG A 9 -0.415 0.494 -12.690 1.00 55.31 N ATOM 135 NH2 ARG A 9 0.938 2.133 -11.864 1.00 14.30 N ATOM 0 H ARG A 9 -1.612 -1.930 -5.769 1.00 53.24 H new ATOM 0 HA ARG A 9 -3.915 -0.258 -6.553 1.00 35.14 H new ATOM 0 HB2 ARG A 9 -2.708 -2.037 -8.608 1.00 11.22 H new ATOM 0 HB3 ARG A 9 -3.634 -0.561 -8.793 1.00 11.22 H new ATOM 0 HG2 ARG A 9 -1.623 0.769 -8.118 1.00 12.23 H new ATOM 0 HG3 ARG A 9 -0.702 -0.716 -7.976 1.00 12.23 H new ATOM 0 HD2 ARG A 9 -0.844 -1.178 -10.317 1.00 62.12 H new ATOM 0 HD3 ARG A 9 -2.185 -0.074 -10.547 1.00 62.12 H new ATOM 0 HE ARG A 9 0.093 1.414 -9.640 1.00 0.23 H new ATOM 0 HH11 ARG A 9 -1.099 -0.250 -12.550 1.00 55.31 H new ATOM 0 HH12 ARG A 9 -0.110 0.736 -13.633 1.00 55.31 H new ATOM 0 HH21 ARG A 9 1.312 2.670 -11.081 1.00 14.30 H new ATOM 0 HH22 ARG A 9 1.225 2.354 -12.817 1.00 14.30 H new ATOM 149 N ASN A 10 -5.281 -2.464 -7.062 1.00 13.21 N ATOM 150 CA ASN A 10 -6.169 -3.622 -7.018 1.00 1.21 C ATOM 151 C ASN A 10 -6.645 -3.926 -5.588 1.00 52.45 C ATOM 152 O ASN A 10 -6.674 -5.069 -5.140 1.00 54.14 O ATOM 153 CB ASN A 10 -5.536 -4.807 -7.774 1.00 34.41 C ATOM 154 CG ASN A 10 -6.499 -5.980 -7.908 1.00 72.31 C ATOM 155 OD1 ASN A 10 -7.696 -5.794 -8.100 1.00 64.11 O ATOM 156 ND2 ASN A 10 -5.993 -7.197 -7.819 1.00 1.02 N ATOM 0 H ASN A 10 -5.693 -1.671 -7.554 1.00 13.21 H new ATOM 0 HA ASN A 10 -7.093 -3.396 -7.551 1.00 1.21 H new ATOM 0 HB2 ASN A 10 -5.224 -4.479 -8.766 1.00 34.41 H new ATOM 0 HB3 ASN A 10 -4.638 -5.133 -7.249 1.00 34.41 H new ATOM 0 HD21 ASN A 10 -6.602 -8.010 -7.910 1.00 1.02 H new ATOM 0 HD22 ASN A 10 -4.994 -7.323 -7.659 1.00 1.02 H new ATOM 163 N LEU A 11 -6.998 -2.882 -4.831 1.00 24.21 N ATOM 164 CA LEU A 11 -7.573 -2.990 -3.500 1.00 55.23 C ATOM 165 C LEU A 11 -9.069 -3.264 -3.680 1.00 61.13 C ATOM 166 O LEU A 11 -9.789 -2.375 -4.131 1.00 12.01 O ATOM 167 CB LEU A 11 -7.364 -1.668 -2.739 1.00 52.05 C ATOM 168 CG LEU A 11 -5.921 -1.276 -2.367 1.00 52.14 C ATOM 169 CD1 LEU A 11 -5.413 -1.970 -1.103 1.00 24.43 C ATOM 170 CD2 LEU A 11 -4.872 -1.427 -3.461 1.00 64.12 C ATOM 0 H LEU A 11 -6.886 -1.917 -5.141 1.00 24.21 H new ATOM 0 HA LEU A 11 -7.101 -3.789 -2.929 1.00 55.23 H new ATOM 0 HB2 LEU A 11 -7.785 -0.864 -3.342 1.00 52.05 H new ATOM 0 HB3 LEU A 11 -7.947 -1.715 -1.819 1.00 52.05 H new ATOM 0 HG LEU A 11 -6.033 -0.206 -2.191 1.00 52.14 H new ATOM 0 HD11 LEU A 11 -4.391 -1.650 -0.898 1.00 24.43 H new ATOM 0 HD12 LEU A 11 -6.052 -1.706 -0.261 1.00 24.43 H new ATOM 0 HD13 LEU A 11 -5.432 -3.050 -1.248 1.00 24.43 H new ATOM 0 HD21 LEU A 11 -3.899 -1.120 -3.077 1.00 64.12 H new ATOM 0 HD22 LEU A 11 -4.825 -2.469 -3.778 1.00 64.12 H new ATOM 0 HD23 LEU A 11 -5.140 -0.800 -4.311 1.00 64.12 H new ATOM 182 N ASN A 12 -9.540 -4.462 -3.317 1.00 32.31 N ATOM 183 CA ASN A 12 -10.971 -4.801 -3.335 1.00 75.35 C ATOM 184 C ASN A 12 -11.741 -3.750 -2.538 1.00 3.32 C ATOM 185 O ASN A 12 -11.198 -3.216 -1.565 1.00 43.22 O ATOM 186 CB ASN A 12 -11.250 -6.191 -2.705 1.00 11.30 C ATOM 187 CG ASN A 12 -11.673 -7.275 -3.693 1.00 3.10 C ATOM 188 OD1 ASN A 12 -11.429 -7.168 -4.887 1.00 71.14 O ATOM 189 ND2 ASN A 12 -12.262 -8.354 -3.210 1.00 52.04 N ATOM 0 H ASN A 12 -8.941 -5.225 -3.002 1.00 32.31 H new ATOM 0 HA ASN A 12 -11.291 -4.826 -4.377 1.00 75.35 H new ATOM 0 HB2 ASN A 12 -10.352 -6.525 -2.186 1.00 11.30 H new ATOM 0 HB3 ASN A 12 -12.031 -6.082 -1.953 1.00 11.30 H new ATOM 0 HD21 ASN A 12 -12.522 -9.117 -3.836 1.00 52.04 H new ATOM 0 HD22 ASN A 12 -12.457 -8.425 -2.211 1.00 52.04 H new ATOM 196 N PRO A 13 -13.026 -3.528 -2.843 1.00 73.41 N ATOM 197 CA PRO A 13 -13.875 -2.621 -2.079 1.00 73.25 C ATOM 198 C PRO A 13 -13.944 -3.044 -0.610 1.00 12.30 C ATOM 199 O PRO A 13 -13.856 -2.201 0.276 1.00 43.21 O ATOM 200 CB PRO A 13 -15.232 -2.665 -2.783 1.00 0.21 C ATOM 201 CG PRO A 13 -15.233 -3.996 -3.531 1.00 2.42 C ATOM 202 CD PRO A 13 -13.776 -4.174 -3.909 1.00 21.20 C ATOM 0 HA PRO A 13 -13.490 -1.602 -2.052 1.00 73.25 H new ATOM 0 HB2 PRO A 13 -16.052 -2.612 -2.067 1.00 0.21 H new ATOM 0 HB3 PRO A 13 -15.351 -1.825 -3.468 1.00 0.21 H new ATOM 0 HG2 PRO A 13 -15.590 -4.812 -2.903 1.00 2.42 H new ATOM 0 HG3 PRO A 13 -15.877 -3.965 -4.410 1.00 2.42 H new ATOM 0 HD2 PRO A 13 -13.516 -5.229 -3.990 1.00 21.20 H new ATOM 0 HD3 PRO A 13 -13.561 -3.717 -4.875 1.00 21.20 H new ATOM 210 N HIS A 14 -13.987 -4.352 -0.367 1.00 3.11 N ATOM 211 CA HIS A 14 -13.962 -4.999 0.937 1.00 11.02 C ATOM 212 C HIS A 14 -12.691 -4.759 1.772 1.00 43.15 C ATOM 213 O HIS A 14 -12.652 -5.183 2.927 1.00 1.34 O ATOM 214 CB HIS A 14 -14.239 -6.502 0.753 1.00 10.01 C ATOM 215 CG HIS A 14 -15.623 -6.881 1.199 1.00 74.15 C ATOM 216 ND1 HIS A 14 -15.951 -7.312 2.462 1.00 13.22 N ATOM 217 CD2 HIS A 14 -16.782 -6.753 0.480 1.00 5.11 C ATOM 218 CE1 HIS A 14 -17.283 -7.455 2.510 1.00 71.35 C ATOM 219 NE2 HIS A 14 -17.833 -7.142 1.321 1.00 70.45 N ATOM 0 H HIS A 14 -14.044 -5.030 -1.127 1.00 3.11 H new ATOM 0 HA HIS A 14 -14.748 -4.529 1.528 1.00 11.02 H new ATOM 0 HB2 HIS A 14 -14.111 -6.768 -0.296 1.00 10.01 H new ATOM 0 HB3 HIS A 14 -13.506 -7.077 1.319 1.00 10.01 H new ATOM 0 HD2 HIS A 14 -16.869 -6.416 -0.542 1.00 5.11 H new ATOM 0 HE1 HIS A 14 -17.837 -7.776 3.380 1.00 71.35 H new ATOM 0 HE2 HIS A 14 -18.823 -7.181 1.079 1.00 70.45 H new ATOM 227 N SER A 15 -11.599 -4.239 1.201 1.00 4.20 N ATOM 228 CA SER A 15 -10.397 -3.913 1.963 1.00 55.04 C ATOM 229 C SER A 15 -10.529 -2.524 2.597 1.00 40.02 C ATOM 230 O SER A 15 -11.348 -1.715 2.169 1.00 60.34 O ATOM 231 CB SER A 15 -9.198 -3.960 1.016 1.00 11.11 C ATOM 232 OG SER A 15 -8.995 -5.280 0.546 1.00 24.14 O ATOM 0 H SER A 15 -11.527 -4.035 0.204 1.00 4.20 H new ATOM 0 HA SER A 15 -10.259 -4.635 2.768 1.00 55.04 H new ATOM 0 HB2 SER A 15 -9.364 -3.288 0.174 1.00 11.11 H new ATOM 0 HB3 SER A 15 -8.304 -3.609 1.532 1.00 11.11 H new ATOM 0 HG SER A 15 -9.625 -5.469 -0.180 1.00 24.14 H new ATOM 238 N THR A 16 -9.651 -2.192 3.543 1.00 20.40 N ATOM 239 CA THR A 16 -9.586 -0.859 4.124 1.00 4.31 C ATOM 240 C THR A 16 -8.135 -0.542 4.488 1.00 62.13 C ATOM 241 O THR A 16 -7.475 0.207 3.765 1.00 63.51 O ATOM 242 CB THR A 16 -10.652 -0.720 5.230 1.00 73.52 C ATOM 243 OG1 THR A 16 -10.641 0.570 5.795 1.00 71.12 O ATOM 244 CG2 THR A 16 -10.601 -1.755 6.367 1.00 54.04 C ATOM 0 H THR A 16 -8.966 -2.843 3.926 1.00 20.40 H new ATOM 0 HA THR A 16 -9.857 -0.074 3.418 1.00 4.31 H new ATOM 0 HB THR A 16 -11.581 -0.914 4.693 1.00 73.52 H new ATOM 0 HG1 THR A 16 -11.328 0.628 6.491 1.00 71.12 H new ATOM 0 HG21 THR A 16 -11.400 -1.551 7.080 1.00 54.04 H new ATOM 0 HG22 THR A 16 -10.730 -2.756 5.954 1.00 54.04 H new ATOM 0 HG23 THR A 16 -9.638 -1.692 6.873 1.00 54.04 H new ATOM 252 N MET A 17 -7.608 -1.127 5.560 1.00 42.34 N ATOM 253 CA MET A 17 -6.237 -0.973 6.040 1.00 15.23 C ATOM 254 C MET A 17 -5.915 -2.128 6.954 1.00 54.34 C ATOM 255 O MET A 17 -4.973 -2.873 6.709 1.00 23.13 O ATOM 256 CB MET A 17 -6.109 0.333 6.820 1.00 11.33 C ATOM 257 CG MET A 17 -4.747 0.532 7.492 1.00 60.11 C ATOM 258 SD MET A 17 -4.541 2.143 8.294 1.00 33.32 S ATOM 259 CE MET A 17 -5.852 2.122 9.549 1.00 72.33 C ATOM 0 H MET A 17 -8.155 -1.755 6.149 1.00 42.34 H new ATOM 0 HA MET A 17 -5.549 -0.956 5.194 1.00 15.23 H new ATOM 0 HB2 MET A 17 -6.293 1.167 6.143 1.00 11.33 H new ATOM 0 HB3 MET A 17 -6.886 0.365 7.583 1.00 11.33 H new ATOM 0 HG2 MET A 17 -4.604 -0.252 8.235 1.00 60.11 H new ATOM 0 HG3 MET A 17 -3.964 0.409 6.744 1.00 60.11 H new ATOM 0 HE1 MET A 17 -5.777 3.016 10.168 1.00 72.33 H new ATOM 0 HE2 MET A 17 -6.825 2.101 9.058 1.00 72.33 H new ATOM 0 HE3 MET A 17 -5.742 1.236 10.175 1.00 72.33 H new ATOM 269 N ASP A 18 -6.725 -2.276 7.998 1.00 22.43 N ATOM 270 CA ASP A 18 -6.507 -3.288 9.014 1.00 21.20 C ATOM 271 C ASP A 18 -6.448 -4.678 8.378 1.00 24.41 C ATOM 272 O ASP A 18 -5.590 -5.485 8.731 1.00 42.44 O ATOM 273 CB ASP A 18 -7.626 -3.183 10.038 1.00 34.33 C ATOM 274 CG ASP A 18 -7.364 -4.148 11.179 1.00 2.33 C ATOM 275 OD1 ASP A 18 -6.539 -3.811 12.060 1.00 15.04 O ATOM 276 OD2 ASP A 18 -7.985 -5.231 11.192 1.00 2.12 O ATOM 0 H ASP A 18 -7.549 -1.696 8.159 1.00 22.43 H new ATOM 0 HA ASP A 18 -5.551 -3.128 9.513 1.00 21.20 H new ATOM 0 HB2 ASP A 18 -7.690 -2.163 10.418 1.00 34.33 H new ATOM 0 HB3 ASP A 18 -8.584 -3.409 9.569 1.00 34.33 H new ATOM 281 N SER A 19 -7.261 -4.894 7.337 1.00 1.43 N ATOM 282 CA SER A 19 -7.345 -6.148 6.585 1.00 3.03 C ATOM 283 C SER A 19 -6.280 -6.315 5.488 1.00 65.53 C ATOM 284 O SER A 19 -6.443 -7.020 4.490 1.00 50.43 O ATOM 285 CB SER A 19 -8.685 -6.170 5.883 1.00 5.21 C ATOM 286 OG SER A 19 -9.781 -5.857 6.728 1.00 43.33 O ATOM 0 H SER A 19 -7.897 -4.178 6.986 1.00 1.43 H new ATOM 0 HA SER A 19 -7.197 -6.948 7.310 1.00 3.03 H new ATOM 0 HB2 SER A 19 -8.663 -5.461 5.056 1.00 5.21 H new ATOM 0 HB3 SER A 19 -8.842 -7.159 5.451 1.00 5.21 H new ATOM 0 HG SER A 19 -10.613 -5.888 6.210 1.00 43.33 H new ATOM 292 N ILE A 20 -5.193 -5.603 5.662 1.00 45.24 N ATOM 293 CA ILE A 20 -3.994 -5.571 4.839 1.00 70.25 C ATOM 294 C ILE A 20 -2.800 -5.623 5.789 1.00 10.13 C ATOM 295 O ILE A 20 -1.889 -6.406 5.560 1.00 63.21 O ATOM 296 CB ILE A 20 -3.969 -4.332 3.916 1.00 43.03 C ATOM 297 CG1 ILE A 20 -5.248 -4.237 3.053 1.00 53.31 C ATOM 298 CG2 ILE A 20 -2.726 -4.348 3.007 1.00 44.43 C ATOM 299 CD1 ILE A 20 -5.393 -2.870 2.394 1.00 35.30 C ATOM 0 H ILE A 20 -5.112 -4.969 6.457 1.00 45.24 H new ATOM 0 HA ILE A 20 -3.964 -6.425 4.162 1.00 70.25 H new ATOM 0 HB ILE A 20 -3.926 -3.454 4.561 1.00 43.03 H new ATOM 0 HG12 ILE A 20 -5.225 -5.009 2.284 1.00 53.31 H new ATOM 0 HG13 ILE A 20 -6.121 -4.434 3.676 1.00 53.31 H new ATOM 0 HG21 ILE A 20 -2.732 -3.466 2.367 1.00 44.43 H new ATOM 0 HG22 ILE A 20 -1.826 -4.345 3.622 1.00 44.43 H new ATOM 0 HG23 ILE A 20 -2.739 -5.245 2.388 1.00 44.43 H new ATOM 0 HD11 ILE A 20 -6.305 -2.848 1.798 1.00 35.30 H new ATOM 0 HD12 ILE A 20 -5.444 -2.099 3.163 1.00 35.30 H new ATOM 0 HD13 ILE A 20 -4.534 -2.684 1.750 1.00 35.30 H new ATOM 311 N LEU A 21 -2.788 -4.816 6.852 1.00 20.20 N ATOM 312 CA LEU A 21 -1.637 -4.716 7.746 1.00 13.31 C ATOM 313 C LEU A 21 -1.329 -5.989 8.532 1.00 11.34 C ATOM 314 O LEU A 21 -0.211 -6.122 9.017 1.00 14.03 O ATOM 315 CB LEU A 21 -1.808 -3.510 8.693 1.00 31.23 C ATOM 316 CG LEU A 21 -1.700 -2.145 7.978 1.00 71.35 C ATOM 317 CD1 LEU A 21 -1.793 -0.992 8.981 1.00 14.00 C ATOM 318 CD2 LEU A 21 -0.404 -2.012 7.168 1.00 61.42 C ATOM 0 H LEU A 21 -3.571 -4.218 7.115 1.00 20.20 H new ATOM 0 HA LEU A 21 -0.769 -4.566 7.103 1.00 13.31 H new ATOM 0 HB2 LEU A 21 -2.779 -3.578 9.184 1.00 31.23 H new ATOM 0 HB3 LEU A 21 -1.051 -3.562 9.475 1.00 31.23 H new ATOM 0 HG LEU A 21 -2.539 -2.093 7.285 1.00 71.35 H new ATOM 0 HD11 LEU A 21 -1.714 -0.042 8.452 1.00 14.00 H new ATOM 0 HD12 LEU A 21 -2.749 -1.039 9.502 1.00 14.00 H new ATOM 0 HD13 LEU A 21 -0.982 -1.073 9.704 1.00 14.00 H new ATOM 0 HD21 LEU A 21 -0.376 -1.035 6.685 1.00 61.42 H new ATOM 0 HD22 LEU A 21 0.453 -2.112 7.834 1.00 61.42 H new ATOM 0 HD23 LEU A 21 -0.367 -2.794 6.409 1.00 61.42 H new ATOM 330 N GLY A 22 -2.259 -6.937 8.601 1.00 63.44 N ATOM 331 CA GLY A 22 -2.024 -8.259 9.171 1.00 34.50 C ATOM 332 C GLY A 22 -1.491 -9.278 8.161 1.00 25.12 C ATOM 333 O GLY A 22 -1.107 -10.371 8.565 1.00 4.32 O ATOM 0 H GLY A 22 -3.210 -6.806 8.258 1.00 63.44 H new ATOM 0 HA2 GLY A 22 -1.314 -8.170 9.993 1.00 34.50 H new ATOM 0 HA3 GLY A 22 -2.956 -8.633 9.594 1.00 34.50 H new ATOM 337 N ALA A 23 -1.558 -8.987 6.856 1.00 3.12 N ATOM 338 CA ALA A 23 -1.464 -9.978 5.778 1.00 45.33 C ATOM 339 C ALA A 23 -0.537 -9.581 4.619 1.00 61.11 C ATOM 340 O ALA A 23 -0.138 -10.429 3.822 1.00 3.00 O ATOM 341 CB ALA A 23 -2.872 -10.204 5.238 1.00 30.40 C ATOM 0 H ALA A 23 -1.682 -8.034 6.513 1.00 3.12 H new ATOM 0 HA ALA A 23 -1.024 -10.878 6.207 1.00 45.33 H new ATOM 0 HB1 ALA A 23 -2.839 -10.938 4.432 1.00 30.40 H new ATOM 0 HB2 ALA A 23 -3.514 -10.572 6.038 1.00 30.40 H new ATOM 0 HB3 ALA A 23 -3.271 -9.264 4.857 1.00 30.40 H new ATOM 347 N LEU A 24 -0.182 -8.304 4.521 1.00 62.15 N ATOM 348 CA LEU A 24 0.766 -7.738 3.573 1.00 25.41 C ATOM 349 C LEU A 24 2.003 -7.230 4.332 1.00 74.51 C ATOM 350 O LEU A 24 2.705 -6.327 3.864 1.00 33.41 O ATOM 351 CB LEU A 24 0.060 -6.624 2.777 1.00 71.11 C ATOM 352 CG LEU A 24 0.675 -6.395 1.384 1.00 1.12 C ATOM 353 CD1 LEU A 24 0.204 -7.467 0.397 1.00 70.14 C ATOM 354 CD2 LEU A 24 0.287 -5.013 0.848 1.00 15.04 C ATOM 0 H LEU A 24 -0.574 -7.595 5.140 1.00 62.15 H new ATOM 0 HA LEU A 24 1.111 -8.489 2.863 1.00 25.41 H new ATOM 0 HB2 LEU A 24 -0.994 -6.878 2.665 1.00 71.11 H new ATOM 0 HB3 LEU A 24 0.106 -5.695 3.345 1.00 71.11 H new ATOM 0 HG LEU A 24 1.759 -6.455 1.485 1.00 1.12 H new ATOM 0 HD11 LEU A 24 0.652 -7.284 -0.580 1.00 70.14 H new ATOM 0 HD12 LEU A 24 0.507 -8.451 0.756 1.00 70.14 H new ATOM 0 HD13 LEU A 24 -0.882 -7.430 0.311 1.00 70.14 H new ATOM 0 HD21 LEU A 24 0.730 -4.867 -0.137 1.00 15.04 H new ATOM 0 HD22 LEU A 24 -0.798 -4.944 0.772 1.00 15.04 H new ATOM 0 HD23 LEU A 24 0.653 -4.243 1.528 1.00 15.04 H new ATOM 366 N ALA A 25 2.244 -7.760 5.536 1.00 5.12 N ATOM 367 CA ALA A 25 3.282 -7.333 6.460 1.00 25.24 C ATOM 368 C ALA A 25 4.221 -8.493 6.850 1.00 71.14 C ATOM 369 O ALA A 25 4.410 -8.744 8.042 1.00 63.34 O ATOM 370 CB ALA A 25 2.599 -6.720 7.676 1.00 63.14 C ATOM 0 H ALA A 25 1.691 -8.534 5.903 1.00 5.12 H new ATOM 0 HA ALA A 25 3.921 -6.591 5.981 1.00 25.24 H new ATOM 0 HB1 ALA A 25 3.354 -6.389 8.389 1.00 63.14 H new ATOM 0 HB2 ALA A 25 1.997 -5.867 7.364 1.00 63.14 H new ATOM 0 HB3 ALA A 25 1.957 -7.465 8.147 1.00 63.14 H new ATOM 376 N PRO A 26 4.857 -9.206 5.904 1.00 41.11 N ATOM 377 CA PRO A 26 5.893 -10.175 6.234 1.00 11.01 C ATOM 378 C PRO A 26 7.154 -9.470 6.755 1.00 64.33 C ATOM 379 O PRO A 26 7.648 -9.817 7.829 1.00 61.55 O ATOM 380 CB PRO A 26 6.134 -10.977 4.957 1.00 30.41 C ATOM 381 CG PRO A 26 5.660 -10.072 3.822 1.00 51.15 C ATOM 382 CD PRO A 26 4.667 -9.114 4.470 1.00 34.41 C ATOM 0 HA PRO A 26 5.594 -10.844 7.041 1.00 11.01 H new ATOM 0 HB2 PRO A 26 7.188 -11.231 4.844 1.00 30.41 H new ATOM 0 HB3 PRO A 26 5.580 -11.915 4.970 1.00 30.41 H new ATOM 0 HG2 PRO A 26 6.494 -9.532 3.373 1.00 51.15 H new ATOM 0 HG3 PRO A 26 5.189 -10.650 3.027 1.00 51.15 H new ATOM 0 HD2 PRO A 26 4.835 -8.094 4.124 1.00 34.41 H new ATOM 0 HD3 PRO A 26 3.645 -9.378 4.199 1.00 34.41 H new ATOM 390 N TYR A 27 7.624 -8.436 6.045 1.00 31.24 N ATOM 391 CA TYR A 27 8.845 -7.670 6.339 1.00 10.42 C ATOM 392 C TYR A 27 8.573 -6.295 6.950 1.00 12.12 C ATOM 393 O TYR A 27 9.463 -5.698 7.548 1.00 61.42 O ATOM 394 CB TYR A 27 9.624 -7.441 5.039 1.00 23.41 C ATOM 395 CG TYR A 27 9.956 -8.721 4.313 1.00 44.05 C ATOM 396 CD1 TYR A 27 9.089 -9.158 3.303 1.00 10.24 C ATOM 397 CD2 TYR A 27 11.042 -9.522 4.704 1.00 32.34 C ATOM 398 CE1 TYR A 27 9.232 -10.428 2.735 1.00 44.05 C ATOM 399 CE2 TYR A 27 11.231 -10.778 4.103 1.00 5.14 C ATOM 400 CZ TYR A 27 10.322 -11.238 3.124 1.00 50.13 C ATOM 401 OH TYR A 27 10.477 -12.475 2.584 1.00 32.32 O ATOM 0 H TYR A 27 7.143 -8.094 5.213 1.00 31.24 H new ATOM 0 HA TYR A 27 9.404 -8.261 7.065 1.00 10.42 H new ATOM 0 HB2 TYR A 27 9.039 -6.798 4.381 1.00 23.41 H new ATOM 0 HB3 TYR A 27 10.548 -6.909 5.265 1.00 23.41 H new ATOM 0 HD1 TYR A 27 8.300 -8.506 2.959 1.00 10.24 H new ATOM 0 HD2 TYR A 27 11.728 -9.174 5.462 1.00 32.34 H new ATOM 0 HE1 TYR A 27 8.518 -10.785 2.008 1.00 44.05 H new ATOM 0 HE2 TYR A 27 12.072 -11.392 4.390 1.00 5.14 H new ATOM 0 HH TYR A 27 11.277 -12.898 2.959 1.00 32.32 H new ATOM 411 N ALA A 28 7.388 -5.741 6.702 1.00 45.13 N ATOM 412 CA ALA A 28 7.007 -4.425 7.183 1.00 40.34 C ATOM 413 C ALA A 28 5.585 -4.438 7.703 1.00 24.32 C ATOM 414 O ALA A 28 4.628 -4.367 6.923 1.00 1.02 O ATOM 415 CB ALA A 28 7.140 -3.387 6.080 1.00 40.02 C ATOM 0 H ALA A 28 6.661 -6.202 6.155 1.00 45.13 H new ATOM 0 HA ALA A 28 7.680 -4.160 7.998 1.00 40.34 H new ATOM 0 HB1 ALA A 28 6.849 -2.409 6.464 1.00 40.02 H new ATOM 0 HB2 ALA A 28 8.174 -3.350 5.738 1.00 40.02 H new ATOM 0 HB3 ALA A 28 6.492 -3.657 5.246 1.00 40.02 H new ATOM 421 N VAL A 29 5.456 -4.476 9.018 1.00 12.20 N ATOM 422 CA VAL A 29 4.316 -3.906 9.699 1.00 42.13 C ATOM 423 C VAL A 29 4.462 -2.394 9.548 1.00 61.54 C ATOM 424 O VAL A 29 5.519 -1.826 9.826 1.00 22.44 O ATOM 425 CB VAL A 29 4.294 -4.322 11.184 1.00 51.32 C ATOM 426 CG1 VAL A 29 3.027 -3.805 11.877 1.00 63.24 C ATOM 427 CG2 VAL A 29 4.326 -5.841 11.354 1.00 64.53 C ATOM 0 H VAL A 29 6.141 -4.904 9.640 1.00 12.20 H new ATOM 0 HA VAL A 29 3.376 -4.259 9.275 1.00 42.13 H new ATOM 0 HB VAL A 29 5.186 -3.886 11.635 1.00 51.32 H new ATOM 0 HG11 VAL A 29 3.034 -4.111 12.923 1.00 63.24 H new ATOM 0 HG12 VAL A 29 2.998 -2.717 11.817 1.00 63.24 H new ATOM 0 HG13 VAL A 29 2.148 -4.219 11.384 1.00 63.24 H new ATOM 0 HG21 VAL A 29 4.309 -6.089 12.415 1.00 64.53 H new ATOM 0 HG22 VAL A 29 3.457 -6.280 10.865 1.00 64.53 H new ATOM 0 HG23 VAL A 29 5.235 -6.239 10.903 1.00 64.53 H new ATOM 437 N LEU A 30 3.400 -1.748 9.094 1.00 54.12 N ATOM 438 CA LEU A 30 3.227 -0.301 9.167 1.00 42.31 C ATOM 439 C LEU A 30 2.349 0.000 10.378 1.00 0.33 C ATOM 440 O LEU A 30 1.633 -0.882 10.847 1.00 31.52 O ATOM 441 CB LEU A 30 2.571 0.204 7.878 1.00 53.35 C ATOM 442 CG LEU A 30 3.384 -0.136 6.615 1.00 62.54 C ATOM 443 CD1 LEU A 30 2.512 0.019 5.373 1.00 3.31 C ATOM 444 CD2 LEU A 30 4.623 0.755 6.512 1.00 74.24 C ATOM 0 H LEU A 30 2.613 -2.225 8.653 1.00 54.12 H new ATOM 0 HA LEU A 30 4.187 0.203 9.273 1.00 42.31 H new ATOM 0 HB2 LEU A 30 1.575 -0.230 7.790 1.00 53.35 H new ATOM 0 HB3 LEU A 30 2.443 1.285 7.941 1.00 53.35 H new ATOM 0 HG LEU A 30 3.715 -1.172 6.685 1.00 62.54 H new ATOM 0 HD11 LEU A 30 3.096 -0.224 4.486 1.00 3.31 H new ATOM 0 HD12 LEU A 30 1.659 -0.656 5.441 1.00 3.31 H new ATOM 0 HD13 LEU A 30 2.157 1.047 5.304 1.00 3.31 H new ATOM 0 HD21 LEU A 30 5.182 0.498 5.613 1.00 74.24 H new ATOM 0 HD22 LEU A 30 4.317 1.800 6.462 1.00 74.24 H new ATOM 0 HD23 LEU A 30 5.254 0.603 7.388 1.00 74.24 H new ATOM 456 N SER A 31 2.362 1.239 10.868 1.00 14.23 N ATOM 457 CA SER A 31 1.689 1.574 12.119 1.00 32.51 C ATOM 458 C SER A 31 0.179 1.548 11.881 1.00 1.01 C ATOM 459 O SER A 31 -0.511 0.641 12.343 1.00 55.11 O ATOM 460 CB SER A 31 2.189 2.929 12.625 1.00 60.44 C ATOM 461 OG SER A 31 3.595 2.895 12.791 1.00 13.20 O ATOM 0 H SER A 31 2.831 2.025 10.418 1.00 14.23 H new ATOM 0 HA SER A 31 1.917 0.845 12.897 1.00 32.51 H new ATOM 0 HB2 SER A 31 1.917 3.713 11.919 1.00 60.44 H new ATOM 0 HB3 SER A 31 1.708 3.173 13.573 1.00 60.44 H new ATOM 0 HG SER A 31 3.908 3.766 13.113 1.00 13.20 H new ATOM 467 N SER A 32 -0.304 2.522 11.108 1.00 62.13 N ATOM 468 CA SER A 32 -1.620 2.670 10.498 1.00 40.05 C ATOM 469 C SER A 32 -1.654 4.041 9.825 1.00 14.33 C ATOM 470 O SER A 32 -2.008 4.123 8.653 1.00 1.02 O ATOM 471 CB SER A 32 -2.779 2.520 11.496 1.00 62.35 C ATOM 472 OG SER A 32 -3.003 1.154 11.783 1.00 52.45 O ATOM 0 H SER A 32 0.290 3.316 10.869 1.00 62.13 H new ATOM 0 HA SER A 32 -1.765 1.866 9.776 1.00 40.05 H new ATOM 0 HB2 SER A 32 -2.549 3.059 12.415 1.00 62.35 H new ATOM 0 HB3 SER A 32 -3.684 2.965 11.083 1.00 62.35 H new ATOM 0 HG SER A 32 -2.148 0.675 11.780 1.00 52.45 H new ATOM 478 N SER A 33 -1.207 5.107 10.504 1.00 44.41 N ATOM 479 CA SER A 33 -1.260 6.464 9.957 1.00 0.20 C ATOM 480 C SER A 33 -0.429 6.612 8.674 1.00 1.21 C ATOM 481 O SER A 33 -0.702 7.487 7.851 1.00 44.02 O ATOM 482 CB SER A 33 -0.905 7.503 11.028 1.00 75.32 C ATOM 483 OG SER A 33 0.479 7.794 11.127 1.00 60.21 O ATOM 0 H SER A 33 -0.803 5.051 11.439 1.00 44.41 H new ATOM 0 HA SER A 33 -2.289 6.659 9.656 1.00 0.20 H new ATOM 0 HB2 SER A 33 -1.443 8.426 10.813 1.00 75.32 H new ATOM 0 HB3 SER A 33 -1.259 7.145 11.995 1.00 75.32 H new ATOM 0 HG SER A 33 0.623 8.464 11.828 1.00 60.21 H new ATOM 489 N ASN A 34 0.576 5.741 8.506 1.00 22.23 N ATOM 490 CA ASN A 34 1.369 5.585 7.288 1.00 55.03 C ATOM 491 C ASN A 34 0.498 5.365 6.053 1.00 32.53 C ATOM 492 O ASN A 34 0.904 5.741 4.958 1.00 71.51 O ATOM 493 CB ASN A 34 2.298 4.361 7.410 1.00 12.12 C ATOM 494 CG ASN A 34 3.280 4.473 8.556 1.00 1.01 C ATOM 495 OD1 ASN A 34 3.033 3.922 9.623 1.00 63.11 O ATOM 496 ND2 ASN A 34 4.371 5.197 8.377 1.00 71.21 N ATOM 0 H ASN A 34 0.867 5.103 9.247 1.00 22.23 H new ATOM 0 HA ASN A 34 1.936 6.509 7.173 1.00 55.03 H new ATOM 0 HB2 ASN A 34 1.692 3.465 7.545 1.00 12.12 H new ATOM 0 HB3 ASN A 34 2.849 4.236 6.478 1.00 12.12 H new ATOM 0 HD21 ASN A 34 5.038 5.311 9.140 1.00 71.21 H new ATOM 0 HD22 ASN A 34 4.546 5.642 7.476 1.00 71.21 H new ATOM 503 N VAL A 35 -0.633 4.675 6.196 1.00 72.51 N ATOM 504 CA VAL A 35 -1.405 4.153 5.081 1.00 64.53 C ATOM 505 C VAL A 35 -2.544 5.124 4.768 1.00 22.42 C ATOM 506 O VAL A 35 -3.511 5.204 5.530 1.00 43.35 O ATOM 507 CB VAL A 35 -1.912 2.731 5.403 1.00 20.41 C ATOM 508 CG1 VAL A 35 -2.544 2.074 4.165 1.00 11.03 C ATOM 509 CG2 VAL A 35 -0.793 1.803 5.894 1.00 35.52 C ATOM 0 H VAL A 35 -1.041 4.462 7.106 1.00 72.51 H new ATOM 0 HA VAL A 35 -0.780 4.069 4.192 1.00 64.53 H new ATOM 0 HB VAL A 35 -2.650 2.858 6.195 1.00 20.41 H new ATOM 0 HG11 VAL A 35 -2.892 1.073 4.422 1.00 11.03 H new ATOM 0 HG12 VAL A 35 -3.387 2.675 3.824 1.00 11.03 H new ATOM 0 HG13 VAL A 35 -1.802 2.007 3.370 1.00 11.03 H new ATOM 0 HG21 VAL A 35 -1.205 0.816 6.106 1.00 35.52 H new ATOM 0 HG22 VAL A 35 -0.026 1.718 5.124 1.00 35.52 H new ATOM 0 HG23 VAL A 35 -0.351 2.214 6.802 1.00 35.52 H new ATOM 519 N ARG A 36 -2.486 5.838 3.641 1.00 22.21 N ATOM 520 CA ARG A 36 -3.612 6.628 3.149 1.00 73.15 C ATOM 521 C ARG A 36 -4.386 5.772 2.151 1.00 42.01 C ATOM 522 O ARG A 36 -3.807 5.335 1.156 1.00 34.31 O ATOM 523 CB ARG A 36 -3.086 7.930 2.523 1.00 35.24 C ATOM 524 CG ARG A 36 -4.104 9.081 2.511 1.00 21.32 C ATOM 525 CD ARG A 36 -5.283 8.905 1.539 1.00 55.11 C ATOM 526 NE ARG A 36 -6.166 10.083 1.527 1.00 62.21 N ATOM 527 CZ ARG A 36 -5.917 11.275 0.970 1.00 64.32 C ATOM 528 NH1 ARG A 36 -4.851 11.479 0.201 1.00 3.02 N ATOM 529 NH2 ARG A 36 -6.746 12.283 1.195 1.00 60.43 N ATOM 0 H ARG A 36 -1.658 5.883 3.047 1.00 22.21 H new ATOM 0 HA ARG A 36 -4.287 6.912 3.956 1.00 73.15 H new ATOM 0 HB2 ARG A 36 -2.199 8.250 3.070 1.00 35.24 H new ATOM 0 HB3 ARG A 36 -2.773 7.727 1.499 1.00 35.24 H new ATOM 0 HG2 ARG A 36 -4.501 9.204 3.519 1.00 21.32 H new ATOM 0 HG3 ARG A 36 -3.581 10.004 2.259 1.00 21.32 H new ATOM 0 HD2 ARG A 36 -4.901 8.727 0.534 1.00 55.11 H new ATOM 0 HD3 ARG A 36 -5.858 8.023 1.822 1.00 55.11 H new ATOM 0 HE ARG A 36 -7.067 9.980 1.994 1.00 62.21 H new ATOM 0 HH11 ARG A 36 -4.198 10.716 0.022 1.00 3.02 H new ATOM 0 HH12 ARG A 36 -4.687 12.398 -0.210 1.00 3.02 H new ATOM 0 HH21 ARG A 36 -7.565 12.147 1.788 1.00 60.43 H new ATOM 0 HH22 ARG A 36 -6.566 13.195 0.776 1.00 60.43 H new ATOM 543 N VAL A 37 -5.680 5.564 2.371 1.00 71.21 N ATOM 544 CA VAL A 37 -6.593 4.959 1.411 1.00 72.13 C ATOM 545 C VAL A 37 -7.784 5.902 1.295 1.00 3.21 C ATOM 546 O VAL A 37 -8.535 6.081 2.251 1.00 24.13 O ATOM 547 CB VAL A 37 -7.007 3.537 1.839 1.00 24.33 C ATOM 548 CG1 VAL A 37 -7.708 2.809 0.687 1.00 51.43 C ATOM 549 CG2 VAL A 37 -5.803 2.704 2.304 1.00 53.11 C ATOM 0 H VAL A 37 -6.134 5.819 3.248 1.00 71.21 H new ATOM 0 HA VAL A 37 -6.115 4.833 0.440 1.00 72.13 H new ATOM 0 HB VAL A 37 -7.694 3.647 2.678 1.00 24.33 H new ATOM 0 HG11 VAL A 37 -7.992 1.807 1.009 1.00 51.43 H new ATOM 0 HG12 VAL A 37 -8.600 3.363 0.396 1.00 51.43 H new ATOM 0 HG13 VAL A 37 -7.031 2.738 -0.164 1.00 51.43 H new ATOM 0 HG21 VAL A 37 -6.140 1.709 2.596 1.00 53.11 H new ATOM 0 HG22 VAL A 37 -5.083 2.619 1.490 1.00 53.11 H new ATOM 0 HG23 VAL A 37 -5.330 3.192 3.156 1.00 53.11 H new ATOM 559 N ILE A 38 -7.937 6.550 0.141 1.00 20.42 N ATOM 560 CA ILE A 38 -9.100 7.380 -0.141 1.00 31.23 C ATOM 561 C ILE A 38 -10.307 6.436 -0.158 1.00 73.23 C ATOM 562 O ILE A 38 -10.362 5.538 -1.005 1.00 35.54 O ATOM 563 CB ILE A 38 -8.924 8.153 -1.471 1.00 1.13 C ATOM 564 CG1 ILE A 38 -7.626 8.996 -1.497 1.00 23.51 C ATOM 565 CG2 ILE A 38 -10.139 9.072 -1.705 1.00 40.43 C ATOM 566 CD1 ILE A 38 -7.229 9.442 -2.907 1.00 40.31 C ATOM 0 H ILE A 38 -7.259 6.513 -0.620 1.00 20.42 H new ATOM 0 HA ILE A 38 -9.240 8.150 0.618 1.00 31.23 H new ATOM 0 HB ILE A 38 -8.851 7.413 -2.268 1.00 1.13 H new ATOM 0 HG12 ILE A 38 -7.758 9.876 -0.868 1.00 23.51 H new ATOM 0 HG13 ILE A 38 -6.813 8.414 -1.064 1.00 23.51 H new ATOM 0 HG21 ILE A 38 -10.010 9.614 -2.642 1.00 40.43 H new ATOM 0 HG22 ILE A 38 -11.046 8.470 -1.756 1.00 40.43 H new ATOM 0 HG23 ILE A 38 -10.221 9.783 -0.883 1.00 40.43 H new ATOM 0 HD11 ILE A 38 -6.312 10.029 -2.858 1.00 40.31 H new ATOM 0 HD12 ILE A 38 -7.066 8.565 -3.534 1.00 40.31 H new ATOM 0 HD13 ILE A 38 -8.026 10.050 -3.334 1.00 40.31 H new ATOM 578 N LYS A 39 -11.247 6.619 0.776 1.00 20.20 N ATOM 579 CA LYS A 39 -12.537 5.928 0.767 1.00 0.04 C ATOM 580 C LYS A 39 -13.589 6.908 0.269 1.00 4.40 C ATOM 581 O LYS A 39 -13.467 8.109 0.537 1.00 71.53 O ATOM 582 CB LYS A 39 -12.945 5.400 2.154 1.00 32.53 C ATOM 583 CG LYS A 39 -11.871 4.598 2.913 1.00 33.40 C ATOM 584 CD LYS A 39 -11.219 5.443 4.022 1.00 51.14 C ATOM 585 CE LYS A 39 -10.227 4.644 4.869 1.00 31.54 C ATOM 586 NZ LYS A 39 -10.897 3.698 5.789 1.00 20.22 N ATOM 0 H LYS A 39 -11.131 7.256 1.564 1.00 20.20 H new ATOM 0 HA LYS A 39 -12.453 5.059 0.115 1.00 0.04 H new ATOM 0 HB2 LYS A 39 -13.241 6.248 2.771 1.00 32.53 H new ATOM 0 HB3 LYS A 39 -13.826 4.769 2.036 1.00 32.53 H new ATOM 0 HG2 LYS A 39 -12.321 3.707 3.350 1.00 33.40 H new ATOM 0 HG3 LYS A 39 -11.106 4.259 2.214 1.00 33.40 H new ATOM 0 HD2 LYS A 39 -10.704 6.291 3.571 1.00 51.14 H new ATOM 0 HD3 LYS A 39 -11.997 5.849 4.668 1.00 51.14 H new ATOM 0 HE2 LYS A 39 -9.556 4.092 4.211 1.00 31.54 H new ATOM 0 HE3 LYS A 39 -9.611 5.333 5.447 1.00 31.54 H new ATOM 0 HZ1 LYS A 39 -10.618 3.909 6.768 1.00 20.22 H new ATOM 0 HZ2 LYS A 39 -11.928 3.794 5.695 1.00 20.22 H new ATOM 0 HZ3 LYS A 39 -10.617 2.725 5.551 1.00 20.22 H new ATOM 600 N ASP A 40 -14.614 6.424 -0.428 1.00 72.21 N ATOM 601 CA ASP A 40 -15.650 7.295 -0.993 1.00 2.41 C ATOM 602 C ASP A 40 -16.452 8.042 0.091 1.00 74.13 C ATOM 603 O ASP A 40 -16.433 7.655 1.265 1.00 74.25 O ATOM 604 CB ASP A 40 -16.596 6.463 -1.856 1.00 4.23 C ATOM 605 CG ASP A 40 -17.302 7.339 -2.878 1.00 53.43 C ATOM 606 OD1 ASP A 40 -16.713 7.552 -3.960 1.00 11.32 O ATOM 607 OD2 ASP A 40 -18.362 7.900 -2.530 1.00 12.31 O ATOM 0 H ASP A 40 -14.753 5.431 -0.617 1.00 72.21 H new ATOM 0 HA ASP A 40 -15.149 8.051 -1.598 1.00 2.41 H new ATOM 0 HB2 ASP A 40 -16.036 5.679 -2.366 1.00 4.23 H new ATOM 0 HB3 ASP A 40 -17.333 5.968 -1.223 1.00 4.23 H new ATOM 612 N LYS A 41 -17.202 9.086 -0.288 1.00 53.32 N ATOM 613 CA LYS A 41 -18.165 9.743 0.599 1.00 60.52 C ATOM 614 C LYS A 41 -19.459 8.947 0.677 1.00 33.51 C ATOM 615 O LYS A 41 -19.952 8.684 1.774 1.00 54.31 O ATOM 616 CB LYS A 41 -18.467 11.195 0.160 1.00 23.33 C ATOM 617 CG LYS A 41 -17.421 12.214 0.649 1.00 55.02 C ATOM 618 CD LYS A 41 -17.800 13.665 0.289 1.00 52.34 C ATOM 619 CE LYS A 41 -17.170 14.679 1.259 1.00 64.44 C ATOM 620 NZ LYS A 41 -17.317 16.083 0.806 1.00 33.24 N ATOM 0 H LYS A 41 -17.156 9.497 -1.220 1.00 53.32 H new ATOM 0 HA LYS A 41 -17.707 9.782 1.587 1.00 60.52 H new ATOM 0 HB2 LYS A 41 -18.520 11.234 -0.928 1.00 23.33 H new ATOM 0 HB3 LYS A 41 -19.448 11.484 0.537 1.00 23.33 H new ATOM 0 HG2 LYS A 41 -17.311 12.128 1.730 1.00 55.02 H new ATOM 0 HG3 LYS A 41 -16.452 11.975 0.210 1.00 55.02 H new ATOM 0 HD2 LYS A 41 -17.474 13.884 -0.728 1.00 52.34 H new ATOM 0 HD3 LYS A 41 -18.885 13.772 0.306 1.00 52.34 H new ATOM 0 HE2 LYS A 41 -17.631 14.570 2.240 1.00 64.44 H new ATOM 0 HE3 LYS A 41 -16.111 14.450 1.377 1.00 64.44 H new ATOM 0 HZ1 LYS A 41 -16.874 16.720 1.499 1.00 33.24 H new ATOM 0 HZ2 LYS A 41 -16.854 16.200 -0.118 1.00 33.24 H new ATOM 0 HZ3 LYS A 41 -18.327 16.316 0.719 1.00 33.24 H new ATOM 634 N GLN A 42 -20.049 8.615 -0.467 1.00 71.22 N ATOM 635 CA GLN A 42 -21.335 7.941 -0.513 1.00 51.01 C ATOM 636 C GLN A 42 -21.120 6.448 -0.399 1.00 35.30 C ATOM 637 O GLN A 42 -21.774 5.807 0.422 1.00 73.55 O ATOM 638 CB GLN A 42 -22.078 8.275 -1.812 1.00 52.23 C ATOM 639 CG GLN A 42 -23.480 8.823 -1.521 1.00 64.24 C ATOM 640 CD GLN A 42 -24.043 9.422 -2.798 1.00 1.12 C ATOM 641 OE1 GLN A 42 -24.733 8.741 -3.554 1.00 72.42 O ATOM 642 NE2 GLN A 42 -23.674 10.657 -3.081 1.00 1.33 N ATOM 0 H GLN A 42 -19.647 8.807 -1.385 1.00 71.22 H new ATOM 0 HA GLN A 42 -21.947 8.285 0.321 1.00 51.01 H new ATOM 0 HB2 GLN A 42 -21.508 9.009 -2.382 1.00 52.23 H new ATOM 0 HB3 GLN A 42 -22.155 7.381 -2.431 1.00 52.23 H new ATOM 0 HG2 GLN A 42 -24.130 8.026 -1.159 1.00 64.24 H new ATOM 0 HG3 GLN A 42 -23.435 9.579 -0.737 1.00 64.24 H new ATOM 0 HE21 GLN A 42 -23.101 11.182 -2.421 1.00 1.33 H new ATOM 0 HE22 GLN A 42 -23.962 11.087 -3.960 1.00 1.33 H new ATOM 651 N THR A 43 -20.223 5.896 -1.218 1.00 55.44 N ATOM 652 CA THR A 43 -20.178 4.443 -1.359 1.00 52.25 C ATOM 653 C THR A 43 -19.397 3.806 -0.212 1.00 61.53 C ATOM 654 O THR A 43 -19.560 2.617 0.050 1.00 41.45 O ATOM 655 CB THR A 43 -19.715 4.005 -2.761 1.00 21.20 C ATOM 656 OG1 THR A 43 -18.398 4.392 -3.066 1.00 20.43 O ATOM 657 CG2 THR A 43 -20.649 4.553 -3.848 1.00 21.34 C ATOM 0 H THR A 43 -19.542 6.412 -1.775 1.00 55.44 H new ATOM 0 HA THR A 43 -21.196 4.061 -1.277 1.00 52.25 H new ATOM 0 HB THR A 43 -19.747 2.916 -2.743 1.00 21.20 H new ATOM 0 HG1 THR A 43 -18.166 4.083 -3.967 1.00 20.43 H new ATOM 0 HG21 THR A 43 -20.298 4.228 -4.827 1.00 21.34 H new ATOM 0 HG22 THR A 43 -21.659 4.179 -3.682 1.00 21.34 H new ATOM 0 HG23 THR A 43 -20.655 5.642 -3.808 1.00 21.34 H new ATOM 665 N GLN A 44 -18.607 4.607 0.516 1.00 61.13 N ATOM 666 CA GLN A 44 -17.788 4.235 1.661 1.00 62.35 C ATOM 667 C GLN A 44 -16.636 3.280 1.303 1.00 11.13 C ATOM 668 O GLN A 44 -16.031 2.732 2.227 1.00 43.15 O ATOM 669 CB GLN A 44 -18.689 3.699 2.802 1.00 4.32 C ATOM 670 CG GLN A 44 -19.609 4.774 3.401 1.00 40.12 C ATOM 671 CD GLN A 44 -18.805 5.790 4.204 1.00 4.42 C ATOM 672 OE1 GLN A 44 -18.001 5.415 5.055 1.00 40.23 O ATOM 673 NE2 GLN A 44 -18.938 7.078 3.943 1.00 2.31 N ATOM 0 H GLN A 44 -18.523 5.600 0.299 1.00 61.13 H new ATOM 0 HA GLN A 44 -17.288 5.135 2.019 1.00 62.35 H new ATOM 0 HB2 GLN A 44 -19.298 2.880 2.421 1.00 4.32 H new ATOM 0 HB3 GLN A 44 -18.059 3.288 3.591 1.00 4.32 H new ATOM 0 HG2 GLN A 44 -20.150 5.281 2.603 1.00 40.12 H new ATOM 0 HG3 GLN A 44 -20.354 4.304 4.043 1.00 40.12 H new ATOM 0 HE21 GLN A 44 -19.605 7.389 3.237 1.00 2.31 H new ATOM 0 HE22 GLN A 44 -18.374 7.762 4.448 1.00 2.31 H new ATOM 682 N LEU A 45 -16.283 3.104 0.023 1.00 60.23 N ATOM 683 CA LEU A 45 -15.301 2.104 -0.420 1.00 64.13 C ATOM 684 C LEU A 45 -14.033 2.762 -0.937 1.00 55.13 C ATOM 685 O LEU A 45 -14.059 3.912 -1.369 1.00 13.34 O ATOM 686 CB LEU A 45 -15.868 1.247 -1.560 1.00 33.33 C ATOM 687 CG LEU A 45 -17.173 0.533 -1.202 1.00 12.11 C ATOM 688 CD1 LEU A 45 -17.803 -0.007 -2.471 1.00 24.22 C ATOM 689 CD2 LEU A 45 -16.973 -0.532 -0.130 1.00 51.43 C ATOM 0 H LEU A 45 -16.674 3.656 -0.741 1.00 60.23 H new ATOM 0 HA LEU A 45 -15.075 1.487 0.449 1.00 64.13 H new ATOM 0 HB2 LEU A 45 -16.038 1.882 -2.430 1.00 33.33 H new ATOM 0 HB3 LEU A 45 -15.125 0.504 -1.848 1.00 33.33 H new ATOM 0 HG LEU A 45 -17.864 1.248 -0.755 1.00 12.11 H new ATOM 0 HD11 LEU A 45 -18.734 -0.518 -2.226 1.00 24.22 H new ATOM 0 HD12 LEU A 45 -18.010 0.817 -3.154 1.00 24.22 H new ATOM 0 HD13 LEU A 45 -17.118 -0.709 -2.947 1.00 24.22 H new ATOM 0 HD21 LEU A 45 -17.927 -1.011 0.090 1.00 51.43 H new ATOM 0 HD22 LEU A 45 -16.266 -1.280 -0.488 1.00 51.43 H new ATOM 0 HD23 LEU A 45 -16.583 -0.068 0.776 1.00 51.43 H new ATOM 701 N ASN A 46 -12.935 2.013 -0.944 1.00 2.10 N ATOM 702 CA ASN A 46 -11.653 2.461 -1.489 1.00 54.33 C ATOM 703 C ASN A 46 -11.809 2.781 -2.969 1.00 23.23 C ATOM 704 O ASN A 46 -12.605 2.162 -3.668 1.00 21.41 O ATOM 705 CB ASN A 46 -10.530 1.411 -1.407 1.00 35.52 C ATOM 706 CG ASN A 46 -10.530 0.580 -0.161 1.00 24.33 C ATOM 707 OD1 ASN A 46 -10.343 1.069 0.945 1.00 71.52 O ATOM 708 ND2 ASN A 46 -10.658 -0.712 -0.321 1.00 40.42 N ATOM 0 H ASN A 46 -12.908 1.066 -0.567 1.00 2.10 H new ATOM 0 HA ASN A 46 -11.377 3.324 -0.883 1.00 54.33 H new ATOM 0 HB2 ASN A 46 -10.610 0.748 -2.268 1.00 35.52 H new ATOM 0 HB3 ASN A 46 -9.570 1.921 -1.486 1.00 35.52 H new ATOM 0 HD21 ASN A 46 -10.603 -1.334 0.486 1.00 40.42 H new ATOM 0 HD22 ASN A 46 -10.813 -1.098 -1.252 1.00 40.42 H new ATOM 715 N ARG A 47 -10.920 3.621 -3.493 1.00 53.34 N ATOM 716 CA ARG A 47 -10.861 3.916 -4.931 1.00 55.24 C ATOM 717 C ARG A 47 -10.083 2.853 -5.732 1.00 0.13 C ATOM 718 O ARG A 47 -9.636 3.129 -6.838 1.00 63.33 O ATOM 719 CB ARG A 47 -10.317 5.338 -5.152 1.00 55.31 C ATOM 720 CG ARG A 47 -11.120 6.379 -4.348 1.00 20.43 C ATOM 721 CD ARG A 47 -11.234 7.755 -5.005 1.00 34.34 C ATOM 722 NE ARG A 47 -9.937 8.344 -5.386 1.00 61.14 N ATOM 723 CZ ARG A 47 -9.792 9.474 -6.095 1.00 33.32 C ATOM 724 NH1 ARG A 47 -10.847 10.202 -6.455 1.00 31.12 N ATOM 725 NH2 ARG A 47 -8.576 9.880 -6.447 1.00 23.13 N ATOM 0 H ARG A 47 -10.221 4.117 -2.940 1.00 53.34 H new ATOM 0 HA ARG A 47 -11.877 3.874 -5.323 1.00 55.24 H new ATOM 0 HB2 ARG A 47 -9.269 5.378 -4.857 1.00 55.31 H new ATOM 0 HB3 ARG A 47 -10.359 5.584 -6.213 1.00 55.31 H new ATOM 0 HG2 ARG A 47 -12.124 5.990 -4.179 1.00 20.43 H new ATOM 0 HG3 ARG A 47 -10.655 6.498 -3.369 1.00 20.43 H new ATOM 0 HD2 ARG A 47 -11.859 7.672 -5.894 1.00 34.34 H new ATOM 0 HD3 ARG A 47 -11.743 8.433 -4.320 1.00 34.34 H new ATOM 0 HE ARG A 47 -9.090 7.858 -5.090 1.00 61.14 H new ATOM 0 HH11 ARG A 47 -11.786 9.904 -6.192 1.00 31.12 H new ATOM 0 HH12 ARG A 47 -10.716 11.058 -6.994 1.00 31.12 H new ATOM 0 HH21 ARG A 47 -7.758 9.333 -6.178 1.00 23.13 H new ATOM 0 HH22 ARG A 47 -8.461 10.738 -6.986 1.00 23.13 H new ATOM 739 N GLY A 48 -9.842 1.670 -5.161 1.00 1.43 N ATOM 740 CA GLY A 48 -9.097 0.569 -5.772 1.00 55.13 C ATOM 741 C GLY A 48 -7.579 0.768 -5.818 1.00 53.01 C ATOM 742 O GLY A 48 -6.860 -0.046 -6.402 1.00 1.31 O ATOM 0 H GLY A 48 -10.174 1.445 -4.223 1.00 1.43 H new ATOM 0 HA2 GLY A 48 -9.313 -0.347 -5.221 1.00 55.13 H new ATOM 0 HA3 GLY A 48 -9.461 0.423 -6.789 1.00 55.13 H new ATOM 746 N PHE A 49 -7.051 1.752 -5.087 1.00 35.11 N ATOM 747 CA PHE A 49 -5.624 1.980 -4.879 1.00 54.12 C ATOM 748 C PHE A 49 -5.424 2.570 -3.482 1.00 72.11 C ATOM 749 O PHE A 49 -6.385 3.050 -2.868 1.00 62.44 O ATOM 750 CB PHE A 49 -5.031 2.847 -6.005 1.00 40.34 C ATOM 751 CG PHE A 49 -5.770 4.129 -6.336 1.00 0.12 C ATOM 752 CD1 PHE A 49 -5.393 5.341 -5.729 1.00 35.40 C ATOM 753 CD2 PHE A 49 -6.808 4.119 -7.287 1.00 4.04 C ATOM 754 CE1 PHE A 49 -6.062 6.532 -6.061 1.00 55.11 C ATOM 755 CE2 PHE A 49 -7.478 5.308 -7.615 1.00 55.22 C ATOM 756 CZ PHE A 49 -7.106 6.516 -7.005 1.00 22.24 C ATOM 0 H PHE A 49 -7.632 2.438 -4.605 1.00 35.11 H new ATOM 0 HA PHE A 49 -5.076 1.039 -4.926 1.00 54.12 H new ATOM 0 HB2 PHE A 49 -4.007 3.104 -5.733 1.00 40.34 H new ATOM 0 HB3 PHE A 49 -4.978 2.241 -6.910 1.00 40.34 H new ATOM 0 HD1 PHE A 49 -4.589 5.356 -5.008 1.00 35.40 H new ATOM 0 HD2 PHE A 49 -7.090 3.193 -7.766 1.00 4.04 H new ATOM 0 HE1 PHE A 49 -5.774 7.461 -5.591 1.00 55.11 H new ATOM 0 HE2 PHE A 49 -8.281 5.293 -8.338 1.00 55.22 H new ATOM 0 HZ PHE A 49 -7.620 7.431 -7.259 1.00 22.24 H new ATOM 766 N ALA A 50 -4.198 2.513 -2.965 1.00 12.31 N ATOM 767 CA ALA A 50 -3.811 2.933 -1.618 1.00 62.41 C ATOM 768 C ALA A 50 -2.366 3.441 -1.645 1.00 74.43 C ATOM 769 O ALA A 50 -1.693 3.292 -2.661 1.00 44.25 O ATOM 770 CB ALA A 50 -3.960 1.744 -0.660 1.00 61.13 C ATOM 0 H ALA A 50 -3.407 2.155 -3.501 1.00 12.31 H new ATOM 0 HA ALA A 50 -4.455 3.741 -1.271 1.00 62.41 H new ATOM 0 HB1 ALA A 50 -3.673 2.049 0.346 1.00 61.13 H new ATOM 0 HB2 ALA A 50 -4.997 1.408 -0.656 1.00 61.13 H new ATOM 0 HB3 ALA A 50 -3.316 0.929 -0.989 1.00 61.13 H new ATOM 776 N PHE A 51 -1.888 4.033 -0.550 1.00 64.53 N ATOM 777 CA PHE A 51 -0.600 4.703 -0.450 1.00 12.13 C ATOM 778 C PHE A 51 0.005 4.404 0.918 1.00 31.34 C ATOM 779 O PHE A 51 -0.729 4.218 1.888 1.00 21.52 O ATOM 780 CB PHE A 51 -0.803 6.222 -0.569 1.00 55.14 C ATOM 781 CG PHE A 51 -1.410 6.717 -1.867 1.00 35.23 C ATOM 782 CD1 PHE A 51 -0.587 7.255 -2.873 1.00 74.25 C ATOM 783 CD2 PHE A 51 -2.807 6.678 -2.053 1.00 3.21 C ATOM 784 CE1 PHE A 51 -1.160 7.753 -4.056 1.00 62.53 C ATOM 785 CE2 PHE A 51 -3.375 7.157 -3.244 1.00 43.23 C ATOM 786 CZ PHE A 51 -2.550 7.686 -4.251 1.00 52.02 C ATOM 0 H PHE A 51 -2.412 4.057 0.325 1.00 64.53 H new ATOM 0 HA PHE A 51 0.057 4.351 -1.245 1.00 12.13 H new ATOM 0 HB2 PHE A 51 -1.440 6.548 0.253 1.00 55.14 H new ATOM 0 HB3 PHE A 51 0.163 6.708 -0.435 1.00 55.14 H new ATOM 0 HD1 PHE A 51 0.484 7.285 -2.737 1.00 74.25 H new ATOM 0 HD2 PHE A 51 -3.442 6.278 -1.277 1.00 3.21 H new ATOM 0 HE1 PHE A 51 -0.530 8.188 -4.817 1.00 62.53 H new ATOM 0 HE2 PHE A 51 -4.445 7.119 -3.386 1.00 43.23 H new ATOM 0 HZ PHE A 51 -2.984 8.041 -5.174 1.00 52.02 H new ATOM 796 N ILE A 52 1.330 4.456 1.007 1.00 1.03 N ATOM 797 CA ILE A 52 2.151 4.309 2.205 1.00 31.23 C ATOM 798 C ILE A 52 3.148 5.467 2.257 1.00 75.31 C ATOM 799 O ILE A 52 3.831 5.758 1.270 1.00 51.23 O ATOM 800 CB ILE A 52 2.861 2.938 2.224 1.00 51.31 C ATOM 801 CG1 ILE A 52 1.904 1.730 2.132 1.00 42.05 C ATOM 802 CG2 ILE A 52 3.852 2.807 3.387 1.00 63.22 C ATOM 803 CD1 ILE A 52 2.601 0.433 1.691 1.00 54.14 C ATOM 0 H ILE A 52 1.903 4.614 0.178 1.00 1.03 H new ATOM 0 HA ILE A 52 1.521 4.343 3.094 1.00 31.23 H new ATOM 0 HB ILE A 52 3.443 2.911 1.303 1.00 51.31 H new ATOM 0 HG12 ILE A 52 1.437 1.571 3.104 1.00 42.05 H new ATOM 0 HG13 ILE A 52 1.104 1.962 1.428 1.00 42.05 H new ATOM 0 HG21 ILE A 52 4.324 1.825 3.354 1.00 63.22 H new ATOM 0 HG22 ILE A 52 4.616 3.580 3.303 1.00 63.22 H new ATOM 0 HG23 ILE A 52 3.321 2.923 4.332 1.00 63.22 H new ATOM 0 HD11 ILE A 52 1.871 -0.375 1.647 1.00 54.14 H new ATOM 0 HD12 ILE A 52 3.045 0.575 0.706 1.00 54.14 H new ATOM 0 HD13 ILE A 52 3.382 0.178 2.407 1.00 54.14 H new ATOM 815 N GLN A 53 3.225 6.132 3.409 1.00 71.15 N ATOM 816 CA GLN A 53 4.122 7.234 3.709 1.00 71.52 C ATOM 817 C GLN A 53 5.158 6.720 4.709 1.00 14.03 C ATOM 818 O GLN A 53 4.797 6.241 5.787 1.00 54.44 O ATOM 819 CB GLN A 53 3.320 8.419 4.282 1.00 34.44 C ATOM 820 CG GLN A 53 2.702 9.357 3.233 1.00 24.54 C ATOM 821 CD GLN A 53 1.613 8.734 2.370 1.00 44.12 C ATOM 822 OE1 GLN A 53 0.418 8.872 2.609 1.00 72.25 O ATOM 823 NE2 GLN A 53 1.990 8.095 1.277 1.00 11.12 N ATOM 0 H GLN A 53 2.626 5.898 4.200 1.00 71.15 H new ATOM 0 HA GLN A 53 4.626 7.591 2.811 1.00 71.52 H new ATOM 0 HB2 GLN A 53 2.521 8.026 4.911 1.00 34.44 H new ATOM 0 HB3 GLN A 53 3.976 9.003 4.927 1.00 34.44 H new ATOM 0 HG2 GLN A 53 2.286 10.225 3.745 1.00 24.54 H new ATOM 0 HG3 GLN A 53 3.496 9.721 2.581 1.00 24.54 H new ATOM 0 HE21 GLN A 53 2.982 7.977 1.072 1.00 11.12 H new ATOM 0 HE22 GLN A 53 1.289 7.720 0.638 1.00 11.12 H new ATOM 832 N LEU A 54 6.439 6.799 4.344 1.00 33.52 N ATOM 833 CA LEU A 54 7.594 6.322 5.107 1.00 15.04 C ATOM 834 C LEU A 54 8.715 7.367 5.022 1.00 71.35 C ATOM 835 O LEU A 54 8.542 8.412 4.384 1.00 31.13 O ATOM 836 CB LEU A 54 8.038 4.965 4.530 1.00 15.30 C ATOM 837 CG LEU A 54 7.165 3.776 4.962 1.00 34.34 C ATOM 838 CD1 LEU A 54 7.346 2.621 3.975 1.00 33.23 C ATOM 839 CD2 LEU A 54 7.504 3.314 6.383 1.00 63.24 C ATOM 0 H LEU A 54 6.714 7.222 3.457 1.00 33.52 H new ATOM 0 HA LEU A 54 7.340 6.183 6.158 1.00 15.04 H new ATOM 0 HB2 LEU A 54 8.033 5.027 3.442 1.00 15.30 H new ATOM 0 HB3 LEU A 54 9.067 4.774 4.834 1.00 15.30 H new ATOM 0 HG LEU A 54 6.124 4.100 4.961 1.00 34.34 H new ATOM 0 HD11 LEU A 54 6.726 1.779 4.283 1.00 33.23 H new ATOM 0 HD12 LEU A 54 7.049 2.945 2.978 1.00 33.23 H new ATOM 0 HD13 LEU A 54 8.392 2.315 3.960 1.00 33.23 H new ATOM 0 HD21 LEU A 54 6.867 2.472 6.654 1.00 63.24 H new ATOM 0 HD22 LEU A 54 8.549 3.007 6.426 1.00 63.24 H new ATOM 0 HD23 LEU A 54 7.338 4.134 7.082 1.00 63.24 H new ATOM 851 N SER A 55 9.850 7.107 5.673 1.00 2.42 N ATOM 852 CA SER A 55 11.067 7.904 5.532 1.00 15.13 C ATOM 853 C SER A 55 11.630 7.777 4.106 1.00 43.23 C ATOM 854 O SER A 55 11.265 6.860 3.379 1.00 51.12 O ATOM 855 CB SER A 55 12.080 7.405 6.567 1.00 61.33 C ATOM 856 OG SER A 55 13.280 8.148 6.551 1.00 3.01 O ATOM 0 H SER A 55 9.950 6.326 6.321 1.00 2.42 H new ATOM 0 HA SER A 55 10.852 8.959 5.703 1.00 15.13 H new ATOM 0 HB2 SER A 55 11.636 7.460 7.561 1.00 61.33 H new ATOM 0 HB3 SER A 55 12.304 6.356 6.375 1.00 61.33 H new ATOM 0 HG SER A 55 13.893 7.794 7.229 1.00 3.01 H new ATOM 862 N THR A 56 12.559 8.675 3.768 1.00 43.12 N ATOM 863 CA THR A 56 13.296 8.887 2.516 1.00 24.23 C ATOM 864 C THR A 56 14.050 7.668 1.958 1.00 0.21 C ATOM 865 O THR A 56 14.356 7.626 0.761 1.00 64.32 O ATOM 866 CB THR A 56 14.256 10.058 2.814 1.00 2.20 C ATOM 867 OG1 THR A 56 13.501 11.175 3.270 1.00 1.02 O ATOM 868 CG2 THR A 56 15.155 10.496 1.661 1.00 40.52 C ATOM 0 H THR A 56 12.852 9.364 4.460 1.00 43.12 H new ATOM 0 HA THR A 56 12.583 9.095 1.718 1.00 24.23 H new ATOM 0 HB THR A 56 14.938 9.679 3.575 1.00 2.20 H new ATOM 0 HG1 THR A 56 14.106 11.922 3.463 1.00 1.02 H new ATOM 0 HG21 THR A 56 15.785 11.324 1.985 1.00 40.52 H new ATOM 0 HG22 THR A 56 15.784 9.661 1.352 1.00 40.52 H new ATOM 0 HG23 THR A 56 14.539 10.816 0.821 1.00 40.52 H new ATOM 876 N ILE A 57 14.406 6.722 2.828 1.00 40.42 N ATOM 877 CA ILE A 57 15.239 5.573 2.500 1.00 34.10 C ATOM 878 C ILE A 57 14.464 4.279 2.752 1.00 75.03 C ATOM 879 O ILE A 57 14.704 3.262 2.104 1.00 52.24 O ATOM 880 CB ILE A 57 16.504 5.647 3.382 1.00 42.25 C ATOM 881 CG1 ILE A 57 17.176 7.038 3.379 1.00 24.02 C ATOM 882 CG2 ILE A 57 17.514 4.550 3.022 1.00 21.10 C ATOM 883 CD1 ILE A 57 17.802 7.462 2.045 1.00 33.00 C ATOM 0 H ILE A 57 14.113 6.738 3.805 1.00 40.42 H new ATOM 0 HA ILE A 57 15.523 5.583 1.448 1.00 34.10 H new ATOM 0 HB ILE A 57 16.158 5.474 4.401 1.00 42.25 H new ATOM 0 HG12 ILE A 57 16.433 7.782 3.665 1.00 24.02 H new ATOM 0 HG13 ILE A 57 17.951 7.050 4.145 1.00 24.02 H new ATOM 0 HG21 ILE A 57 18.390 4.637 3.665 1.00 21.10 H new ATOM 0 HG22 ILE A 57 17.055 3.572 3.164 1.00 21.10 H new ATOM 0 HG23 ILE A 57 17.816 4.661 1.981 1.00 21.10 H new ATOM 0 HD11 ILE A 57 18.246 8.452 2.150 1.00 33.00 H new ATOM 0 HD12 ILE A 57 18.573 6.746 1.761 1.00 33.00 H new ATOM 0 HD13 ILE A 57 17.032 7.490 1.274 1.00 33.00 H new ATOM 895 N GLU A 58 13.573 4.310 3.740 1.00 52.25 N ATOM 896 CA GLU A 58 12.822 3.161 4.224 1.00 44.31 C ATOM 897 C GLU A 58 11.861 2.665 3.164 1.00 32.21 C ATOM 898 O GLU A 58 11.820 1.467 2.896 1.00 22.33 O ATOM 899 CB GLU A 58 12.019 3.544 5.473 1.00 2.33 C ATOM 900 CG GLU A 58 12.912 3.947 6.647 1.00 14.30 C ATOM 901 CD GLU A 58 13.623 2.796 7.348 1.00 24.32 C ATOM 902 OE1 GLU A 58 14.045 3.004 8.511 1.00 3.30 O ATOM 903 OE2 GLU A 58 13.758 1.697 6.782 1.00 21.43 O ATOM 0 H GLU A 58 13.348 5.169 4.242 1.00 52.25 H new ATOM 0 HA GLU A 58 13.534 2.372 4.466 1.00 44.31 H new ATOM 0 HB2 GLU A 58 11.350 4.369 5.231 1.00 2.33 H new ATOM 0 HB3 GLU A 58 11.393 2.702 5.770 1.00 2.33 H new ATOM 0 HG2 GLU A 58 13.662 4.651 6.287 1.00 14.30 H new ATOM 0 HG3 GLU A 58 12.304 4.477 7.380 1.00 14.30 H new ATOM 910 N ALA A 59 11.070 3.575 2.586 1.00 75.54 N ATOM 911 CA ALA A 59 10.101 3.191 1.573 1.00 35.20 C ATOM 912 C ALA A 59 10.828 2.538 0.405 1.00 43.34 C ATOM 913 O ALA A 59 10.400 1.478 -0.032 1.00 3.23 O ATOM 914 CB ALA A 59 9.242 4.383 1.137 1.00 44.14 C ATOM 0 H ALA A 59 11.086 4.571 2.804 1.00 75.54 H new ATOM 0 HA ALA A 59 9.408 2.463 1.994 1.00 35.20 H new ATOM 0 HB1 ALA A 59 8.529 4.059 0.379 1.00 44.14 H new ATOM 0 HB2 ALA A 59 8.703 4.777 1.998 1.00 44.14 H new ATOM 0 HB3 ALA A 59 9.883 5.161 0.723 1.00 44.14 H new ATOM 920 N ALA A 60 11.932 3.130 -0.059 1.00 74.02 N ATOM 921 CA ALA A 60 12.778 2.563 -1.093 1.00 71.33 C ATOM 922 C ALA A 60 13.267 1.172 -0.682 1.00 61.41 C ATOM 923 O ALA A 60 12.905 0.190 -1.323 1.00 71.05 O ATOM 924 CB ALA A 60 13.937 3.515 -1.420 1.00 53.13 C ATOM 0 H ALA A 60 12.262 4.032 0.284 1.00 74.02 H new ATOM 0 HA ALA A 60 12.194 2.442 -2.005 1.00 71.33 H new ATOM 0 HB1 ALA A 60 14.562 3.074 -2.197 1.00 53.13 H new ATOM 0 HB2 ALA A 60 13.538 4.467 -1.771 1.00 53.13 H new ATOM 0 HB3 ALA A 60 14.535 3.681 -0.524 1.00 53.13 H new ATOM 930 N GLN A 61 14.075 1.061 0.379 1.00 31.33 N ATOM 931 CA GLN A 61 14.671 -0.208 0.790 1.00 12.23 C ATOM 932 C GLN A 61 13.609 -1.296 0.915 1.00 62.43 C ATOM 933 O GLN A 61 13.762 -2.352 0.305 1.00 72.44 O ATOM 934 CB GLN A 61 15.441 -0.078 2.113 1.00 12.31 C ATOM 935 CG GLN A 61 16.832 0.549 1.953 1.00 63.14 C ATOM 936 CD GLN A 61 17.629 0.468 3.255 1.00 34.42 C ATOM 937 OE1 GLN A 61 18.689 -0.156 3.327 1.00 31.13 O ATOM 938 NE2 GLN A 61 17.139 1.071 4.327 1.00 51.41 N ATOM 0 H GLN A 61 14.331 1.849 0.974 1.00 31.33 H new ATOM 0 HA GLN A 61 15.380 -0.490 0.012 1.00 12.23 H new ATOM 0 HB2 GLN A 61 14.856 0.527 2.806 1.00 12.31 H new ATOM 0 HB3 GLN A 61 15.546 -1.066 2.562 1.00 12.31 H new ATOM 0 HG2 GLN A 61 17.375 0.037 1.159 1.00 63.14 H new ATOM 0 HG3 GLN A 61 16.731 1.591 1.650 1.00 63.14 H new ATOM 0 HE21 GLN A 61 16.261 1.587 4.265 1.00 51.41 H new ATOM 0 HE22 GLN A 61 17.639 1.019 5.214 1.00 51.41 H new ATOM 947 N LEU A 62 12.549 -1.050 1.684 1.00 14.23 N ATOM 948 CA LEU A 62 11.531 -2.051 1.958 1.00 42.21 C ATOM 949 C LEU A 62 10.746 -2.385 0.700 1.00 21.10 C ATOM 950 O LEU A 62 10.476 -3.554 0.446 1.00 72.44 O ATOM 951 CB LEU A 62 10.590 -1.547 3.053 1.00 51.35 C ATOM 952 CG LEU A 62 9.997 -2.637 3.938 1.00 42.33 C ATOM 953 CD1 LEU A 62 9.425 -3.868 3.244 1.00 41.33 C ATOM 954 CD2 LEU A 62 10.973 -3.079 5.038 1.00 60.52 C ATOM 0 H LEU A 62 12.376 -0.150 2.132 1.00 14.23 H new ATOM 0 HA LEU A 62 12.023 -2.961 2.300 1.00 42.21 H new ATOM 0 HB2 LEU A 62 11.133 -0.842 3.683 1.00 51.35 H new ATOM 0 HB3 LEU A 62 9.775 -0.994 2.586 1.00 51.35 H new ATOM 0 HG LEU A 62 9.131 -2.130 4.364 1.00 42.33 H new ATOM 0 HD11 LEU A 62 9.038 -4.560 3.992 1.00 41.33 H new ATOM 0 HD12 LEU A 62 8.618 -3.567 2.576 1.00 41.33 H new ATOM 0 HD13 LEU A 62 10.210 -4.358 2.668 1.00 41.33 H new ATOM 0 HD21 LEU A 62 10.509 -3.857 5.645 1.00 60.52 H new ATOM 0 HD22 LEU A 62 11.883 -3.469 4.582 1.00 60.52 H new ATOM 0 HD23 LEU A 62 11.220 -2.226 5.669 1.00 60.52 H new ATOM 966 N LEU A 63 10.389 -1.394 -0.118 1.00 0.10 N ATOM 967 CA LEU A 63 9.742 -1.660 -1.390 1.00 12.14 C ATOM 968 C LEU A 63 10.585 -2.636 -2.189 1.00 0.40 C ATOM 969 O LEU A 63 10.039 -3.593 -2.742 1.00 75.22 O ATOM 970 CB LEU A 63 9.584 -0.368 -2.199 1.00 55.35 C ATOM 971 CG LEU A 63 9.091 -0.508 -3.646 1.00 11.52 C ATOM 972 CD1 LEU A 63 10.124 -0.805 -4.724 1.00 43.42 C ATOM 973 CD2 LEU A 63 7.773 -1.270 -3.770 1.00 11.11 C ATOM 0 H LEU A 63 10.539 -0.405 0.082 1.00 0.10 H new ATOM 0 HA LEU A 63 8.756 -2.081 -1.194 1.00 12.14 H new ATOM 0 HB2 LEU A 63 8.890 0.283 -1.666 1.00 55.35 H new ATOM 0 HB3 LEU A 63 10.548 0.140 -2.217 1.00 55.35 H new ATOM 0 HG LEU A 63 8.857 0.524 -3.908 1.00 11.52 H new ATOM 0 HD11 LEU A 63 9.629 -0.876 -5.693 1.00 43.42 H new ATOM 0 HD12 LEU A 63 10.862 -0.003 -4.752 1.00 43.42 H new ATOM 0 HD13 LEU A 63 10.622 -1.749 -4.501 1.00 43.42 H new ATOM 0 HD21 LEU A 63 7.485 -1.331 -4.820 1.00 11.11 H new ATOM 0 HD22 LEU A 63 7.895 -2.276 -3.369 1.00 11.11 H new ATOM 0 HD23 LEU A 63 6.997 -0.748 -3.210 1.00 11.11 H new ATOM 985 N GLN A 64 11.896 -2.367 -2.279 1.00 64.02 N ATOM 986 CA GLN A 64 12.727 -3.122 -3.189 1.00 52.53 C ATOM 987 C GLN A 64 12.668 -4.603 -2.805 1.00 62.13 C ATOM 988 O GLN A 64 12.637 -5.447 -3.690 1.00 44.21 O ATOM 989 CB GLN A 64 14.214 -2.714 -3.138 1.00 62.11 C ATOM 990 CG GLN A 64 14.584 -1.350 -3.711 1.00 62.45 C ATOM 991 CD GLN A 64 14.429 -1.292 -5.219 1.00 32.12 C ATOM 992 OE1 GLN A 64 15.367 -1.562 -5.966 1.00 11.40 O ATOM 993 NE2 GLN A 64 13.238 -0.969 -5.685 1.00 20.03 N ATOM 0 H GLN A 64 12.381 -1.648 -1.742 1.00 64.02 H new ATOM 0 HA GLN A 64 12.343 -2.924 -4.190 1.00 52.53 H new ATOM 0 HB2 GLN A 64 14.536 -2.741 -2.097 1.00 62.11 H new ATOM 0 HB3 GLN A 64 14.790 -3.471 -3.670 1.00 62.11 H new ATOM 0 HG2 GLN A 64 13.956 -0.585 -3.255 1.00 62.45 H new ATOM 0 HG3 GLN A 64 15.615 -1.115 -3.446 1.00 62.45 H new ATOM 0 HE21 GLN A 64 12.480 -0.750 -5.039 1.00 20.03 H new ATOM 0 HE22 GLN A 64 13.075 -0.938 -6.691 1.00 20.03 H new ATOM 1002 N ILE A 65 12.646 -4.906 -1.501 1.00 73.44 N ATOM 1003 CA ILE A 65 12.460 -6.234 -0.926 1.00 22.33 C ATOM 1004 C ILE A 65 11.275 -6.938 -1.585 1.00 74.13 C ATOM 1005 O ILE A 65 11.515 -7.873 -2.346 1.00 73.35 O ATOM 1006 CB ILE A 65 12.509 -6.201 0.629 1.00 13.51 C ATOM 1007 CG1 ILE A 65 13.843 -5.608 1.138 1.00 20.30 C ATOM 1008 CG2 ILE A 65 12.203 -7.528 1.322 1.00 30.43 C ATOM 1009 CD1 ILE A 65 13.866 -5.310 2.641 1.00 52.33 C ATOM 0 H ILE A 65 12.764 -4.189 -0.785 1.00 73.44 H new ATOM 0 HA ILE A 65 13.306 -6.879 -1.164 1.00 22.33 H new ATOM 0 HB ILE A 65 11.688 -5.542 0.911 1.00 13.51 H new ATOM 0 HG12 ILE A 65 14.649 -6.304 0.905 1.00 20.30 H new ATOM 0 HG13 ILE A 65 14.049 -4.687 0.593 1.00 20.30 H new ATOM 0 HG21 ILE A 65 12.264 -7.397 2.402 1.00 30.43 H new ATOM 0 HG22 ILE A 65 11.199 -7.856 1.052 1.00 30.43 H new ATOM 0 HG23 ILE A 65 12.928 -8.279 1.007 1.00 30.43 H new ATOM 0 HD11 ILE A 65 14.837 -4.897 2.915 1.00 52.33 H new ATOM 0 HD12 ILE A 65 13.084 -4.589 2.881 1.00 52.33 H new ATOM 0 HD13 ILE A 65 13.693 -6.231 3.197 1.00 52.33 H new ATOM 1021 N LEU A 66 10.034 -6.471 -1.394 1.00 0.13 N ATOM 1022 CA LEU A 66 8.824 -7.106 -1.938 1.00 71.43 C ATOM 1023 C LEU A 66 8.824 -7.221 -3.467 1.00 41.43 C ATOM 1024 O LEU A 66 8.044 -7.994 -4.023 1.00 10.44 O ATOM 1025 CB LEU A 66 7.546 -6.335 -1.545 1.00 74.03 C ATOM 1026 CG LEU A 66 7.138 -6.288 -0.063 1.00 62.31 C ATOM 1027 CD1 LEU A 66 7.256 -7.624 0.668 1.00 2.32 C ATOM 1028 CD2 LEU A 66 7.909 -5.248 0.726 1.00 15.12 C ATOM 0 H LEU A 66 9.839 -5.630 -0.850 1.00 0.13 H new ATOM 0 HA LEU A 66 8.830 -8.105 -1.503 1.00 71.43 H new ATOM 0 HB2 LEU A 66 7.661 -5.307 -1.889 1.00 74.03 H new ATOM 0 HB3 LEU A 66 6.715 -6.766 -2.103 1.00 74.03 H new ATOM 0 HG LEU A 66 6.083 -6.016 -0.107 1.00 62.31 H new ATOM 0 HD11 LEU A 66 6.949 -7.499 1.706 1.00 2.32 H new ATOM 0 HD12 LEU A 66 6.614 -8.361 0.186 1.00 2.32 H new ATOM 0 HD13 LEU A 66 8.290 -7.967 0.635 1.00 2.32 H new ATOM 0 HD21 LEU A 66 7.579 -5.261 1.765 1.00 15.12 H new ATOM 0 HD22 LEU A 66 8.974 -5.474 0.681 1.00 15.12 H new ATOM 0 HD23 LEU A 66 7.729 -4.261 0.300 1.00 15.12 H new ATOM 1040 N GLN A 67 9.624 -6.422 -4.169 1.00 35.21 N ATOM 1041 CA GLN A 67 9.681 -6.411 -5.628 1.00 32.42 C ATOM 1042 C GLN A 67 10.800 -7.298 -6.165 1.00 54.22 C ATOM 1043 O GLN A 67 10.801 -7.627 -7.352 1.00 4.42 O ATOM 1044 CB GLN A 67 9.820 -4.975 -6.107 1.00 61.15 C ATOM 1045 CG GLN A 67 8.649 -4.084 -5.675 1.00 23.33 C ATOM 1046 CD GLN A 67 7.397 -4.153 -6.529 1.00 31.10 C ATOM 1047 OE1 GLN A 67 6.753 -5.191 -6.655 1.00 44.14 O ATOM 1048 NE2 GLN A 67 6.942 -3.003 -6.991 1.00 44.23 N ATOM 0 H GLN A 67 10.260 -5.754 -3.733 1.00 35.21 H new ATOM 0 HA GLN A 67 8.754 -6.830 -6.020 1.00 32.42 H new ATOM 0 HB2 GLN A 67 10.749 -4.557 -5.720 1.00 61.15 H new ATOM 0 HB3 GLN A 67 9.895 -4.966 -7.194 1.00 61.15 H new ATOM 0 HG2 GLN A 67 8.379 -4.347 -4.652 1.00 23.33 H new ATOM 0 HG3 GLN A 67 8.994 -3.050 -5.658 1.00 23.33 H new ATOM 0 HE21 GLN A 67 7.494 -2.153 -6.875 1.00 44.23 H new ATOM 0 HE22 GLN A 67 6.039 -2.965 -7.464 1.00 44.23 H new ATOM 1057 N ALA A 68 11.734 -7.703 -5.306 1.00 54.35 N ATOM 1058 CA ALA A 68 12.836 -8.580 -5.636 1.00 41.13 C ATOM 1059 C ALA A 68 12.748 -9.906 -4.878 1.00 22.02 C ATOM 1060 O ALA A 68 13.724 -10.662 -4.861 1.00 72.15 O ATOM 1061 CB ALA A 68 14.156 -7.858 -5.357 1.00 11.51 C ATOM 0 H ALA A 68 11.736 -7.414 -4.328 1.00 54.35 H new ATOM 0 HA ALA A 68 12.785 -8.827 -6.696 1.00 41.13 H new ATOM 0 HB1 ALA A 68 14.990 -8.515 -5.604 1.00 11.51 H new ATOM 0 HB2 ALA A 68 14.213 -6.955 -5.965 1.00 11.51 H new ATOM 0 HB3 ALA A 68 14.207 -7.588 -4.302 1.00 11.51 H new ATOM 1067 N LEU A 69 11.597 -10.218 -4.284 1.00 51.41 N ATOM 1068 CA LEU A 69 11.255 -11.543 -3.804 1.00 21.30 C ATOM 1069 C LEU A 69 9.829 -11.842 -4.233 1.00 51.11 C ATOM 1070 O LEU A 69 8.969 -10.978 -4.063 1.00 3.14 O ATOM 1071 CB LEU A 69 11.421 -11.658 -2.277 1.00 63.41 C ATOM 1072 CG LEU A 69 10.421 -10.808 -1.461 1.00 13.21 C ATOM 1073 CD1 LEU A 69 9.173 -11.546 -0.967 1.00 53.42 C ATOM 1074 CD2 LEU A 69 11.105 -10.229 -0.240 1.00 34.40 C ATOM 0 H LEU A 69 10.860 -9.532 -4.122 1.00 51.41 H new ATOM 0 HA LEU A 69 11.935 -12.277 -4.236 1.00 21.30 H new ATOM 0 HB2 LEU A 69 11.310 -12.703 -1.989 1.00 63.41 H new ATOM 0 HB3 LEU A 69 12.435 -11.360 -2.010 1.00 63.41 H new ATOM 0 HG LEU A 69 10.088 -10.046 -2.166 1.00 13.21 H new ATOM 0 HD11 LEU A 69 8.541 -10.857 -0.407 1.00 53.42 H new ATOM 0 HD12 LEU A 69 8.618 -11.935 -1.821 1.00 53.42 H new ATOM 0 HD13 LEU A 69 9.471 -12.372 -0.321 1.00 53.42 H new ATOM 0 HD21 LEU A 69 10.392 -9.632 0.328 1.00 34.40 H new ATOM 0 HD22 LEU A 69 11.479 -11.039 0.386 1.00 34.40 H new ATOM 0 HD23 LEU A 69 11.937 -9.599 -0.554 1.00 34.40 H new ATOM 1086 N HIS A 70 9.612 -13.084 -4.677 1.00 45.33 N ATOM 1087 CA HIS A 70 8.332 -13.781 -4.779 1.00 63.21 C ATOM 1088 C HIS A 70 7.182 -13.016 -5.483 1.00 53.24 C ATOM 1089 O HIS A 70 7.320 -11.860 -5.894 1.00 4.43 O ATOM 1090 CB HIS A 70 8.001 -14.413 -3.403 1.00 70.45 C ATOM 1091 CG HIS A 70 8.265 -15.905 -3.331 1.00 13.43 C ATOM 1092 ND1 HIS A 70 7.609 -16.806 -2.520 1.00 11.30 N ATOM 1093 CD2 HIS A 70 9.223 -16.606 -4.018 1.00 62.42 C ATOM 1094 CE1 HIS A 70 8.144 -18.018 -2.735 1.00 32.34 C ATOM 1095 NE2 HIS A 70 9.114 -17.956 -3.664 1.00 5.43 N ATOM 0 H HIS A 70 10.384 -13.668 -4.997 1.00 45.33 H new ATOM 0 HA HIS A 70 8.446 -14.589 -5.502 1.00 63.21 H new ATOM 0 HB2 HIS A 70 8.589 -13.913 -2.634 1.00 70.45 H new ATOM 0 HB3 HIS A 70 6.952 -14.228 -3.173 1.00 70.45 H new ATOM 0 HD2 HIS A 70 9.938 -16.189 -4.712 1.00 62.42 H new ATOM 0 HE1 HIS A 70 7.837 -18.922 -2.230 1.00 32.34 H new ATOM 0 HE2 HIS A 70 9.659 -18.734 -4.035 1.00 5.43 H new ATOM 1103 N PRO A 71 6.080 -13.701 -5.838 1.00 44.13 N ATOM 1104 CA PRO A 71 4.965 -13.028 -6.471 1.00 1.13 C ATOM 1105 C PRO A 71 4.229 -12.178 -5.435 1.00 70.04 C ATOM 1106 O PRO A 71 4.246 -12.520 -4.245 1.00 52.44 O ATOM 1107 CB PRO A 71 4.073 -14.121 -7.045 1.00 71.24 C ATOM 1108 CG PRO A 71 4.367 -15.341 -6.165 1.00 54.35 C ATOM 1109 CD PRO A 71 5.763 -15.095 -5.585 1.00 70.45 C ATOM 0 HA PRO A 71 5.285 -12.354 -7.265 1.00 1.13 H new ATOM 0 HB2 PRO A 71 3.020 -13.841 -7.001 1.00 71.24 H new ATOM 0 HB3 PRO A 71 4.307 -14.318 -8.091 1.00 71.24 H new ATOM 0 HG2 PRO A 71 3.625 -15.443 -5.373 1.00 54.35 H new ATOM 0 HG3 PRO A 71 4.340 -16.262 -6.748 1.00 54.35 H new ATOM 0 HD2 PRO A 71 5.781 -15.308 -4.516 1.00 70.45 H new ATOM 0 HD3 PRO A 71 6.498 -15.750 -6.053 1.00 70.45 H new ATOM 1117 N PRO A 72 3.522 -11.124 -5.872 1.00 14.31 N ATOM 1118 CA PRO A 72 2.733 -10.295 -4.981 1.00 53.22 C ATOM 1119 C PRO A 72 1.628 -11.102 -4.298 1.00 65.35 C ATOM 1120 O PRO A 72 1.118 -12.089 -4.840 1.00 32.43 O ATOM 1121 CB PRO A 72 2.210 -9.138 -5.835 1.00 70.02 C ATOM 1122 CG PRO A 72 2.302 -9.651 -7.267 1.00 32.01 C ATOM 1123 CD PRO A 72 3.490 -10.599 -7.225 1.00 71.05 C ATOM 0 HA PRO A 72 3.326 -9.904 -4.154 1.00 53.22 H new ATOM 0 HB2 PRO A 72 1.184 -8.881 -5.570 1.00 70.02 H new ATOM 0 HB3 PRO A 72 2.810 -8.239 -5.696 1.00 70.02 H new ATOM 0 HG2 PRO A 72 1.389 -10.164 -7.570 1.00 32.01 H new ATOM 0 HG3 PRO A 72 2.461 -8.838 -7.976 1.00 32.01 H new ATOM 0 HD2 PRO A 72 3.377 -11.401 -7.954 1.00 71.05 H new ATOM 0 HD3 PRO A 72 4.416 -10.077 -7.465 1.00 71.05 H new ATOM 1131 N LEU A 73 1.286 -10.689 -3.083 1.00 12.44 N ATOM 1132 CA LEU A 73 0.397 -11.394 -2.180 1.00 44.35 C ATOM 1133 C LEU A 73 -1.017 -10.832 -2.371 1.00 5.03 C ATOM 1134 O LEU A 73 -1.259 -9.865 -3.106 1.00 10.23 O ATOM 1135 CB LEU A 73 0.974 -11.223 -0.753 1.00 42.31 C ATOM 1136 CG LEU A 73 0.800 -12.335 0.306 1.00 54.44 C ATOM 1137 CD1 LEU A 73 -0.593 -12.403 0.923 1.00 72.33 C ATOM 1138 CD2 LEU A 73 1.171 -13.734 -0.197 1.00 1.21 C ATOM 0 H LEU A 73 1.638 -9.817 -2.688 1.00 12.44 H new ATOM 0 HA LEU A 73 0.326 -12.464 -2.374 1.00 44.35 H new ATOM 0 HB2 LEU A 73 2.044 -11.045 -0.859 1.00 42.31 H new ATOM 0 HB3 LEU A 73 0.539 -10.314 -0.338 1.00 42.31 H new ATOM 0 HG LEU A 73 1.508 -12.033 1.078 1.00 54.44 H new ATOM 0 HD11 LEU A 73 -0.628 -13.210 1.655 1.00 72.33 H new ATOM 0 HD12 LEU A 73 -0.820 -11.457 1.415 1.00 72.33 H new ATOM 0 HD13 LEU A 73 -1.329 -12.591 0.141 1.00 72.33 H new ATOM 0 HD21 LEU A 73 1.022 -14.459 0.603 1.00 1.21 H new ATOM 0 HD22 LEU A 73 0.539 -13.995 -1.046 1.00 1.21 H new ATOM 0 HD23 LEU A 73 2.216 -13.744 -0.507 1.00 1.21 H new ATOM 1150 N THR A 74 -1.983 -11.443 -1.702 1.00 65.42 N ATOM 1151 CA THR A 74 -3.376 -11.042 -1.744 1.00 45.21 C ATOM 1152 C THR A 74 -4.028 -11.347 -0.398 1.00 71.22 C ATOM 1153 O THR A 74 -3.591 -12.232 0.327 1.00 10.31 O ATOM 1154 CB THR A 74 -4.086 -11.759 -2.899 1.00 61.31 C ATOM 1155 OG1 THR A 74 -5.434 -11.352 -2.899 1.00 13.33 O ATOM 1156 CG2 THR A 74 -3.995 -13.277 -2.889 1.00 63.44 C ATOM 0 H THR A 74 -1.813 -12.250 -1.102 1.00 65.42 H new ATOM 0 HA THR A 74 -3.456 -9.970 -1.923 1.00 45.21 H new ATOM 0 HB THR A 74 -3.564 -11.469 -3.811 1.00 61.31 H new ATOM 0 HG1 THR A 74 -5.482 -10.378 -3.000 1.00 13.33 H new ATOM 0 HG21 THR A 74 -4.531 -13.679 -3.749 1.00 63.44 H new ATOM 0 HG22 THR A 74 -2.949 -13.579 -2.940 1.00 63.44 H new ATOM 0 HG23 THR A 74 -4.440 -13.662 -1.972 1.00 63.44 H new ATOM 1164 N ILE A 75 -5.114 -10.648 -0.074 1.00 65.15 N ATOM 1165 CA ILE A 75 -5.884 -10.858 1.141 1.00 2.34 C ATOM 1166 C ILE A 75 -7.381 -10.949 0.809 1.00 62.44 C ATOM 1167 O ILE A 75 -8.210 -10.764 1.690 1.00 70.51 O ATOM 1168 CB ILE A 75 -5.576 -9.745 2.183 1.00 32.11 C ATOM 1169 CG1 ILE A 75 -4.148 -9.149 2.144 1.00 13.41 C ATOM 1170 CG2 ILE A 75 -5.805 -10.330 3.588 1.00 73.45 C ATOM 1171 CD1 ILE A 75 -3.875 -8.025 1.142 1.00 52.45 C ATOM 0 H ILE A 75 -5.488 -9.905 -0.664 1.00 65.15 H new ATOM 0 HA ILE A 75 -5.592 -11.806 1.593 1.00 2.34 H new ATOM 0 HB ILE A 75 -6.244 -8.921 1.930 1.00 32.11 H new ATOM 0 HG12 ILE A 75 -3.913 -8.775 3.140 1.00 13.41 H new ATOM 0 HG13 ILE A 75 -3.451 -9.961 1.936 1.00 13.41 H new ATOM 0 HG21 ILE A 75 -5.595 -9.568 4.338 1.00 73.45 H new ATOM 0 HG22 ILE A 75 -6.841 -10.656 3.682 1.00 73.45 H new ATOM 0 HG23 ILE A 75 -5.141 -11.181 3.740 1.00 73.45 H new ATOM 0 HD11 ILE A 75 -2.836 -7.706 1.227 1.00 52.45 H new ATOM 0 HD12 ILE A 75 -4.063 -8.386 0.131 1.00 52.45 H new ATOM 0 HD13 ILE A 75 -4.532 -7.181 1.354 1.00 52.45 H new ATOM 1183 N ASP A 76 -7.747 -11.127 -0.462 1.00 74.45 N ATOM 1184 CA ASP A 76 -9.151 -11.272 -0.885 1.00 72.11 C ATOM 1185 C ASP A 76 -9.263 -11.782 -2.329 1.00 42.22 C ATOM 1186 O ASP A 76 -10.125 -11.347 -3.088 1.00 74.12 O ATOM 1187 CB ASP A 76 -9.913 -9.949 -0.691 1.00 51.21 C ATOM 1188 CG ASP A 76 -11.380 -10.118 -0.315 1.00 62.23 C ATOM 1189 OD1 ASP A 76 -11.772 -11.165 0.250 1.00 23.21 O ATOM 1190 OD2 ASP A 76 -12.105 -9.106 -0.486 1.00 24.12 O ATOM 0 H ASP A 76 -7.080 -11.175 -1.232 1.00 74.45 H new ATOM 0 HA ASP A 76 -9.615 -12.026 -0.249 1.00 72.11 H new ATOM 0 HB2 ASP A 76 -9.416 -9.368 0.086 1.00 51.21 H new ATOM 0 HB3 ASP A 76 -9.851 -9.369 -1.612 1.00 51.21 H new ATOM 1195 N GLY A 77 -8.297 -12.593 -2.769 1.00 50.22 N ATOM 1196 CA GLY A 77 -8.107 -13.035 -4.152 1.00 61.52 C ATOM 1197 C GLY A 77 -7.860 -11.908 -5.163 1.00 32.53 C ATOM 1198 O GLY A 77 -7.849 -12.161 -6.365 1.00 64.15 O ATOM 0 H GLY A 77 -7.592 -12.977 -2.139 1.00 50.22 H new ATOM 0 HA2 GLY A 77 -7.263 -13.724 -4.185 1.00 61.52 H new ATOM 0 HA3 GLY A 77 -8.989 -13.595 -4.463 1.00 61.52 H new ATOM 1202 N LYS A 78 -7.565 -10.687 -4.701 1.00 71.23 N ATOM 1203 CA LYS A 78 -7.080 -9.571 -5.509 1.00 31.42 C ATOM 1204 C LYS A 78 -5.576 -9.444 -5.314 1.00 13.04 C ATOM 1205 O LYS A 78 -5.146 -9.106 -4.207 1.00 13.10 O ATOM 1206 CB LYS A 78 -7.826 -8.270 -5.171 1.00 42.14 C ATOM 1207 CG LYS A 78 -8.409 -8.094 -3.758 1.00 11.11 C ATOM 1208 CD LYS A 78 -7.418 -8.083 -2.581 1.00 13.13 C ATOM 1209 CE LYS A 78 -8.023 -7.306 -1.404 1.00 11.12 C ATOM 1210 NZ LYS A 78 -7.368 -7.495 -0.094 1.00 65.21 N ATOM 0 H LYS A 78 -7.663 -10.444 -3.715 1.00 71.23 H new ATOM 0 HA LYS A 78 -7.280 -9.765 -6.563 1.00 31.42 H new ATOM 0 HB2 LYS A 78 -7.141 -7.441 -5.351 1.00 42.14 H new ATOM 0 HB3 LYS A 78 -8.646 -8.166 -5.881 1.00 42.14 H new ATOM 0 HG2 LYS A 78 -8.967 -7.158 -3.738 1.00 11.11 H new ATOM 0 HG3 LYS A 78 -9.127 -8.896 -3.587 1.00 11.11 H new ATOM 0 HD2 LYS A 78 -7.189 -9.104 -2.276 1.00 13.13 H new ATOM 0 HD3 LYS A 78 -6.478 -7.624 -2.888 1.00 13.13 H new ATOM 0 HE2 LYS A 78 -8.002 -6.244 -1.648 1.00 11.12 H new ATOM 0 HE3 LYS A 78 -9.071 -7.591 -1.308 1.00 11.12 H new ATOM 0 HZ1 LYS A 78 -7.707 -6.771 0.571 1.00 65.21 H new ATOM 0 HZ2 LYS A 78 -7.597 -8.440 0.276 1.00 65.21 H new ATOM 0 HZ3 LYS A 78 -6.338 -7.407 -0.205 1.00 65.21 H new ATOM 1224 N THR A 79 -4.758 -9.814 -6.293 1.00 51.12 N ATOM 1225 CA THR A 79 -3.308 -9.703 -6.162 1.00 72.13 C ATOM 1226 C THR A 79 -2.944 -8.216 -6.089 1.00 33.41 C ATOM 1227 O THR A 79 -3.215 -7.467 -7.035 1.00 22.14 O ATOM 1228 CB THR A 79 -2.593 -10.456 -7.301 1.00 12.01 C ATOM 1229 OG1 THR A 79 -3.414 -11.485 -7.838 1.00 4.23 O ATOM 1230 CG2 THR A 79 -1.300 -11.098 -6.786 1.00 2.04 C ATOM 0 H THR A 79 -5.073 -10.193 -7.186 1.00 51.12 H new ATOM 0 HA THR A 79 -2.965 -10.180 -5.244 1.00 72.13 H new ATOM 0 HB THR A 79 -2.372 -9.726 -8.079 1.00 12.01 H new ATOM 0 HG1 THR A 79 -2.934 -11.943 -8.559 1.00 4.23 H new ATOM 0 HG21 THR A 79 -0.806 -11.626 -7.602 1.00 2.04 H new ATOM 0 HG22 THR A 79 -0.637 -10.323 -6.402 1.00 2.04 H new ATOM 0 HG23 THR A 79 -1.536 -11.802 -5.988 1.00 2.04 H new ATOM 1238 N ILE A 80 -2.451 -7.754 -4.936 1.00 72.54 N ATOM 1239 CA ILE A 80 -2.204 -6.338 -4.705 1.00 24.14 C ATOM 1240 C ILE A 80 -0.925 -5.971 -5.448 1.00 60.34 C ATOM 1241 O ILE A 80 0.142 -6.536 -5.192 1.00 52.44 O ATOM 1242 CB ILE A 80 -2.069 -5.998 -3.210 1.00 64.33 C ATOM 1243 CG1 ILE A 80 -3.237 -6.467 -2.313 1.00 44.01 C ATOM 1244 CG2 ILE A 80 -1.874 -4.488 -3.023 1.00 43.33 C ATOM 1245 CD1 ILE A 80 -4.564 -5.746 -2.588 1.00 43.42 C ATOM 0 H ILE A 80 -2.215 -8.352 -4.144 1.00 72.54 H new ATOM 0 HA ILE A 80 -3.055 -5.764 -5.070 1.00 24.14 H new ATOM 0 HB ILE A 80 -1.194 -6.560 -2.881 1.00 64.33 H new ATOM 0 HG12 ILE A 80 -3.382 -7.538 -2.453 1.00 44.01 H new ATOM 0 HG13 ILE A 80 -2.963 -6.316 -1.269 1.00 44.01 H new ATOM 0 HG21 ILE A 80 -1.780 -4.262 -1.961 1.00 43.33 H new ATOM 0 HG22 ILE A 80 -0.970 -4.171 -3.543 1.00 43.33 H new ATOM 0 HG23 ILE A 80 -2.733 -3.957 -3.432 1.00 43.33 H new ATOM 0 HD11 ILE A 80 -5.333 -6.131 -1.918 1.00 43.42 H new ATOM 0 HD12 ILE A 80 -4.439 -4.676 -2.419 1.00 43.42 H new ATOM 0 HD13 ILE A 80 -4.864 -5.918 -3.622 1.00 43.42 H new ATOM 1257 N ASN A 81 -1.050 -5.007 -6.350 1.00 74.12 N ATOM 1258 CA ASN A 81 0.086 -4.414 -7.046 1.00 64.11 C ATOM 1259 C ASN A 81 0.789 -3.452 -6.106 1.00 40.11 C ATOM 1260 O ASN A 81 0.149 -2.925 -5.196 1.00 33.42 O ATOM 1261 CB ASN A 81 -0.377 -3.653 -8.292 1.00 31.13 C ATOM 1262 CG ASN A 81 0.081 -4.366 -9.543 1.00 61.41 C ATOM 1263 OD1 ASN A 81 1.130 -4.033 -10.072 1.00 13.34 O ATOM 1264 ND2 ASN A 81 -0.669 -5.342 -10.019 1.00 12.30 N ATOM 0 H ASN A 81 -1.950 -4.611 -6.622 1.00 74.12 H new ATOM 0 HA ASN A 81 0.764 -5.209 -7.357 1.00 64.11 H new ATOM 0 HB2 ASN A 81 -1.464 -3.568 -8.291 1.00 31.13 H new ATOM 0 HB3 ASN A 81 0.022 -2.639 -8.276 1.00 31.13 H new ATOM 0 HD21 ASN A 81 -0.378 -5.847 -10.856 1.00 12.30 H new ATOM 0 HD22 ASN A 81 -1.539 -5.592 -9.549 1.00 12.30 H new ATOM 1271 N VAL A 82 2.061 -3.160 -6.368 1.00 34.40 N ATOM 1272 CA VAL A 82 2.902 -2.324 -5.521 1.00 40.14 C ATOM 1273 C VAL A 82 3.749 -1.457 -6.455 1.00 60.05 C ATOM 1274 O VAL A 82 4.297 -1.973 -7.429 1.00 21.12 O ATOM 1275 CB VAL A 82 3.777 -3.200 -4.593 1.00 12.14 C ATOM 1276 CG1 VAL A 82 4.387 -2.344 -3.476 1.00 51.14 C ATOM 1277 CG2 VAL A 82 3.015 -4.360 -3.929 1.00 24.20 C ATOM 0 H VAL A 82 2.545 -3.508 -7.196 1.00 34.40 H new ATOM 0 HA VAL A 82 2.303 -1.690 -4.867 1.00 40.14 H new ATOM 0 HB VAL A 82 4.543 -3.628 -5.240 1.00 12.14 H new ATOM 0 HG11 VAL A 82 5.000 -2.972 -2.830 1.00 51.14 H new ATOM 0 HG12 VAL A 82 5.006 -1.561 -3.914 1.00 51.14 H new ATOM 0 HG13 VAL A 82 3.589 -1.890 -2.889 1.00 51.14 H new ATOM 0 HG21 VAL A 82 3.696 -4.927 -3.295 1.00 24.20 H new ATOM 0 HG22 VAL A 82 2.202 -3.961 -3.323 1.00 24.20 H new ATOM 0 HG23 VAL A 82 2.606 -5.015 -4.699 1.00 24.20 H new ATOM 1287 N GLU A 83 3.847 -0.163 -6.166 1.00 14.40 N ATOM 1288 CA GLU A 83 4.475 0.876 -6.973 1.00 1.54 C ATOM 1289 C GLU A 83 5.386 1.724 -6.090 1.00 35.24 C ATOM 1290 O GLU A 83 5.292 1.685 -4.864 1.00 21.12 O ATOM 1291 CB GLU A 83 3.379 1.767 -7.570 1.00 12.20 C ATOM 1292 CG GLU A 83 2.931 1.346 -8.966 1.00 72.13 C ATOM 1293 CD GLU A 83 3.742 2.048 -10.052 1.00 43.55 C ATOM 1294 OE1 GLU A 83 4.878 1.627 -10.352 1.00 44.21 O ATOM 1295 OE2 GLU A 83 3.208 3.040 -10.618 1.00 63.33 O ATOM 0 H GLU A 83 3.462 0.213 -5.300 1.00 14.40 H new ATOM 0 HA GLU A 83 5.063 0.421 -7.770 1.00 1.54 H new ATOM 0 HB2 GLU A 83 2.516 1.759 -6.905 1.00 12.20 H new ATOM 0 HB3 GLU A 83 3.741 2.794 -7.610 1.00 12.20 H new ATOM 0 HG2 GLU A 83 3.037 0.266 -9.073 1.00 72.13 H new ATOM 0 HG3 GLU A 83 1.873 1.577 -9.094 1.00 72.13 H new ATOM 1302 N PHE A 84 6.231 2.539 -6.715 1.00 54.15 N ATOM 1303 CA PHE A 84 7.329 3.244 -6.052 1.00 35.00 C ATOM 1304 C PHE A 84 7.386 4.690 -6.551 1.00 33.43 C ATOM 1305 O PHE A 84 8.168 5.014 -7.448 1.00 22.34 O ATOM 1306 CB PHE A 84 8.635 2.462 -6.307 1.00 31.43 C ATOM 1307 CG PHE A 84 9.917 3.076 -5.758 1.00 4.21 C ATOM 1308 CD1 PHE A 84 9.959 3.657 -4.473 1.00 61.01 C ATOM 1309 CD2 PHE A 84 11.082 3.081 -6.554 1.00 52.32 C ATOM 1310 CE1 PHE A 84 11.128 4.295 -4.024 1.00 24.03 C ATOM 1311 CE2 PHE A 84 12.247 3.733 -6.111 1.00 4.14 C ATOM 1312 CZ PHE A 84 12.267 4.350 -4.847 1.00 32.43 C ATOM 0 H PHE A 84 6.173 2.733 -7.715 1.00 54.15 H new ATOM 0 HA PHE A 84 7.177 3.294 -4.974 1.00 35.00 H new ATOM 0 HB2 PHE A 84 8.524 1.466 -5.879 1.00 31.43 H new ATOM 0 HB3 PHE A 84 8.752 2.336 -7.383 1.00 31.43 H new ATOM 0 HD1 PHE A 84 9.090 3.611 -3.833 1.00 61.01 H new ATOM 0 HD2 PHE A 84 11.079 2.580 -7.511 1.00 52.32 H new ATOM 0 HE1 PHE A 84 11.152 4.745 -3.043 1.00 24.03 H new ATOM 0 HE2 PHE A 84 13.124 3.760 -6.740 1.00 4.14 H new ATOM 0 HZ PHE A 84 13.155 4.865 -4.510 1.00 32.43 H new ATOM 1322 N ALA A 85 6.542 5.577 -6.021 1.00 55.34 N ATOM 1323 CA ALA A 85 6.602 6.999 -6.350 1.00 12.24 C ATOM 1324 C ALA A 85 7.625 7.667 -5.437 1.00 44.42 C ATOM 1325 O ALA A 85 7.319 8.188 -4.362 1.00 34.03 O ATOM 1326 CB ALA A 85 5.226 7.647 -6.267 1.00 12.13 C ATOM 0 H ALA A 85 5.806 5.332 -5.359 1.00 55.34 H new ATOM 0 HA ALA A 85 6.924 7.128 -7.383 1.00 12.24 H new ATOM 0 HB1 ALA A 85 5.306 8.705 -6.518 1.00 12.13 H new ATOM 0 HB2 ALA A 85 4.551 7.158 -6.969 1.00 12.13 H new ATOM 0 HB3 ALA A 85 4.835 7.543 -5.255 1.00 12.13 H new ATOM 1332 N LYS A 86 8.881 7.623 -5.862 1.00 44.31 N ATOM 1333 CA LYS A 86 9.934 8.408 -5.249 1.00 32.22 C ATOM 1334 C LYS A 86 9.700 9.874 -5.612 1.00 53.15 C ATOM 1335 O LYS A 86 9.219 10.180 -6.707 1.00 21.23 O ATOM 1336 CB LYS A 86 11.275 7.841 -5.742 1.00 33.44 C ATOM 1337 CG LYS A 86 12.531 8.523 -5.171 1.00 22.00 C ATOM 1338 CD LYS A 86 12.481 8.612 -3.645 1.00 1.44 C ATOM 1339 CE LYS A 86 13.839 8.616 -2.930 1.00 31.32 C ATOM 1340 NZ LYS A 86 14.160 7.311 -2.311 1.00 44.53 N ATOM 0 H LYS A 86 9.194 7.042 -6.640 1.00 44.31 H new ATOM 0 HA LYS A 86 9.942 8.354 -4.160 1.00 32.22 H new ATOM 0 HB2 LYS A 86 11.314 6.780 -5.495 1.00 33.44 H new ATOM 0 HB3 LYS A 86 11.304 7.916 -6.829 1.00 33.44 H new ATOM 0 HG2 LYS A 86 13.417 7.966 -5.474 1.00 22.00 H new ATOM 0 HG3 LYS A 86 12.624 9.524 -5.591 1.00 22.00 H new ATOM 0 HD2 LYS A 86 11.945 9.520 -3.371 1.00 1.44 H new ATOM 0 HD3 LYS A 86 11.897 7.771 -3.270 1.00 1.44 H new ATOM 0 HE2 LYS A 86 14.620 8.877 -3.644 1.00 31.32 H new ATOM 0 HE3 LYS A 86 13.838 9.388 -2.161 1.00 31.32 H new ATOM 0 HZ1 LYS A 86 14.696 7.466 -1.433 1.00 44.53 H new ATOM 0 HZ2 LYS A 86 13.279 6.804 -2.093 1.00 44.53 H new ATOM 0 HZ3 LYS A 86 14.731 6.745 -2.971 1.00 44.53 H new ATOM 1354 N GLY A 87 10.008 10.781 -4.689 1.00 12.50 N ATOM 1355 CA GLY A 87 10.026 12.212 -4.948 1.00 0.40 C ATOM 1356 C GLY A 87 11.223 12.485 -5.842 1.00 73.03 C ATOM 1357 O GLY A 87 12.370 12.447 -5.385 1.00 44.44 O ATOM 0 H GLY A 87 10.255 10.537 -3.730 1.00 12.50 H new ATOM 0 HA2 GLY A 87 9.102 12.528 -5.433 1.00 0.40 H new ATOM 0 HA3 GLY A 87 10.105 12.772 -4.016 1.00 0.40 H new ATOM 1361 N SER A 88 10.950 12.632 -7.130 1.00 0.52 N ATOM 1362 CA SER A 88 11.889 12.881 -8.199 1.00 20.44 C ATOM 1363 C SER A 88 11.033 13.447 -9.327 1.00 62.42 C ATOM 1364 O SER A 88 9.844 13.053 -9.425 1.00 22.43 O ATOM 1365 CB SER A 88 12.584 11.552 -8.532 1.00 73.45 C ATOM 1366 OG SER A 88 13.609 11.695 -9.493 1.00 73.23 O ATOM 0 H SER A 88 9.992 12.575 -7.475 1.00 0.52 H new ATOM 0 HA SER A 88 12.690 13.584 -7.971 1.00 20.44 H new ATOM 0 HB2 SER A 88 13.004 11.129 -7.620 1.00 73.45 H new ATOM 0 HB3 SER A 88 11.843 10.842 -8.901 1.00 73.45 H new ATOM 0 HG SER A 88 14.019 10.822 -9.667 1.00 73.23 H new TER 1372 SER A 88