USER MOD reduce.3.24.130724 H: found=0, std=0, add=798, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 785 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 NoAdj-H: A 88 HIS HE2 : A 88 HIS NE2 : A 205 ZNZN :(H bumps) USER MOD NoAdj-H: A 93 HIS HE2 : A 93 HIS NE2 : A 205 ZNZN :(H bumps) USER MOD NoAdj-H: A 120 HIS HE2 : A 120 HIS NE2 : A 305 ZNZN :(H bumps) USER MOD NoAdj-H: A 125 HIS HE2 : A 125 HIS NE2 : A 305 ZNZN :(H bumps) USER MOD Set 1.1: A 108 ASN : amide:sc= -0.189 K(o=0.94,f=-9!) USER MOD Set 1.2: A 137 LYS NZ :NH3+ -165:sc= 1.13 (180deg=1.2) USER MOD Set 2.1: A 73 LYS NZ :NH3+ 147:sc= 0.778 (180deg=0) USER MOD Set 2.2: A 99 ASN : amide:sc= -0.391 K(o=-0.063,f=-7.9!) USER MOD Set 2.3: A 101 SER OG : rot 110:sc= -0.45 USER MOD Set 3.1: A -2 HIS : no HD1:sc= 0 X(o=0,f=-0.0007) USER MOD Set 3.2: A -8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 4.1: A -4 HIS : no HD1:sc= 0.204 X(o=0.42,f=-0.0092) USER MOD Set 4.2: A -5 HIS : no HE2:sc= 0.218 K(o=0.42,f=-1.6) USER MOD Single : A -1 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A -3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A -6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A -8 MET N :NH3+ 151:sc= 0.045 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 62 GLN : amide:sc= -0.0659 K(o=-0.066,f=-1.3!) USER MOD Single : A 63 ASN : amide:sc= 1.05 K(o=1,f=-9!) USER MOD Single : A 64 LYS NZ :NH3+ 138:sc= 1.25 (180deg=0.885) USER MOD Single : A 65 LYS NZ :NH3+ 170:sc= 1.76 (180deg=1.58) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 CYS SG : rot 152:sc= -2.11! USER MOD Single : A 74 TYR OH : rot 180:sc= -0.903 USER MOD Single : A 75 CYS SG : rot -95:sc= -5.26! USER MOD Single : A 76 THR OG1 : rot -127:sc= 1.22 USER MOD Single : A 78 GLN : amide:sc= -1.77 K(o=-1.8,f=-5.6!) USER MOD Single : A 79 THR OG1 : rot 140:sc= -0.0167 USER MOD Single : A 83 ASN : amide:sc= -0.913 K(o=-0.91,f=-0.016) USER MOD Single : A 84 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot -88:sc= 1.24 USER MOD Single : A 95 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 CYS SG : rot -162:sc= -4.72! USER MOD Single : A 107 CYS SG : rot 48:sc= -5.14! USER MOD Single : A 111 THR OG1 : rot 150:sc= 0.0634 USER MOD Single : A 112 LYS NZ :NH3+ -135:sc= 1.25 (180deg=0.237) USER MOD Single : A 114 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 121 ASN : amide:sc= -3.79! C(o=-3.8!,f=-7.8!) USER MOD Single : A 123 LYS NZ :NH3+ 150:sc= 0.00206 (180deg=0) USER MOD Single : A 124 TYR OH : rot -10:sc= -2.62! USER MOD Single : A 130 ASN : amide:sc= -3.58! K(o=-3.6!,f=-0.39) USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 THR OG1 : rot 180:sc= 0 USER MOD Single : A 135 MET CE :methyl 174:sc= 0 (180deg=-0.0206) USER MOD Single : A 139 ASN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 140 ASN : amide:sc= 0.0314 X(o=0.031,f=-0.011) USER MOD Single : A 141 GLN : amide:sc= -0.313 X(o=-0.31,f=-0.082) USER MOD Single : A 142 THR OG1 : rot 180:sc= 0.0111 USER MOD Single : A 146 GLN : amide:sc= -0.69 X(o=-0.69,f=-0.28) USER MOD Single : A 147 THR OG1 : rot -152:sc= -2.32! USER MOD Single : A 149 ASN : amide:sc= -3.91! C(o=-3.9!,f=-2.4!) USER MOD Single : A 152 THR OG1 : rot -94:sc= 0.92 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A -8 -14.435 -14.871 -20.148 1.00 30.20 N ATOM 2 CA MET A -8 -13.955 -15.333 -18.845 1.00 21.33 C ATOM 3 C MET A -8 -14.964 -16.367 -18.370 1.00 32.54 C ATOM 4 O MET A -8 -16.163 -16.175 -18.562 1.00 52.11 O ATOM 5 CB MET A -8 -13.904 -14.142 -17.856 1.00 42.24 C ATOM 6 CG MET A -8 -12.905 -14.263 -16.694 1.00 3.03 C ATOM 7 SD MET A -8 -13.163 -15.670 -15.600 1.00 44.11 S ATOM 8 CE MET A -8 -11.834 -15.416 -14.422 1.00 60.15 C ATOM 0 H1 MET A -8 -14.127 -13.890 -20.303 1.00 30.20 H new ATOM 0 H2 MET A -8 -14.046 -15.479 -20.897 1.00 30.20 H new ATOM 0 H3 MET A -8 -15.474 -14.916 -20.171 1.00 30.20 H new ATOM 0 HA MET A -8 -12.953 -15.756 -18.908 1.00 21.33 H new ATOM 0 HB2 MET A -8 -13.666 -13.240 -18.419 1.00 42.24 H new ATOM 0 HB3 MET A -8 -14.901 -14.002 -17.437 1.00 42.24 H new ATOM 0 HG2 MET A -8 -11.898 -14.325 -17.107 1.00 3.03 H new ATOM 0 HG3 MET A -8 -12.950 -13.350 -16.101 1.00 3.03 H new ATOM 0 HE1 MET A -8 -11.855 -16.208 -13.673 1.00 60.15 H new ATOM 0 HE2 MET A -8 -10.877 -15.435 -14.943 1.00 60.15 H new ATOM 0 HE3 MET A -8 -11.961 -14.450 -13.933 1.00 60.15 H new ATOM 17 N ALA A -7 -14.489 -17.463 -17.799 1.00 72.00 N ATOM 18 CA ALA A -7 -15.348 -18.551 -17.343 1.00 71.24 C ATOM 19 C ALA A -7 -16.284 -18.106 -16.222 1.00 12.05 C ATOM 20 O ALA A -7 -17.436 -18.534 -16.145 1.00 45.53 O ATOM 21 CB ALA A -7 -14.506 -19.729 -16.891 1.00 1.30 C ATOM 0 H ALA A -7 -13.495 -17.626 -17.637 1.00 72.00 H new ATOM 0 HA ALA A -7 -15.969 -18.856 -18.185 1.00 71.24 H new ATOM 0 HB1 ALA A -7 -15.158 -20.534 -16.553 1.00 1.30 H new ATOM 0 HB2 ALA A -7 -13.896 -20.081 -17.723 1.00 1.30 H new ATOM 0 HB3 ALA A -7 -13.857 -19.419 -16.071 1.00 1.30 H new ATOM 27 N HIS A -6 -15.793 -17.243 -15.381 1.00 14.35 N ATOM 28 CA HIS A -6 -16.567 -16.728 -14.276 1.00 74.10 C ATOM 29 C HIS A -6 -17.268 -15.467 -14.719 1.00 2.33 C ATOM 30 O HIS A -6 -16.849 -14.819 -15.682 1.00 50.33 O ATOM 31 CB HIS A -6 -15.674 -16.410 -13.058 1.00 74.25 C ATOM 32 CG HIS A -6 -14.985 -17.589 -12.435 1.00 53.31 C ATOM 33 ND1 HIS A -6 -15.365 -18.155 -11.238 1.00 33.21 N ATOM 34 CD2 HIS A -6 -13.894 -18.280 -12.841 1.00 45.32 C ATOM 35 CE1 HIS A -6 -14.521 -19.142 -10.959 1.00 41.43 C ATOM 36 NE2 HIS A -6 -13.602 -19.264 -11.903 1.00 24.33 N ATOM 0 H HIS A -6 -14.844 -16.873 -15.437 1.00 14.35 H new ATOM 0 HA HIS A -6 -17.289 -17.488 -13.977 1.00 74.10 H new ATOM 0 HB2 HIS A -6 -14.916 -15.689 -13.364 1.00 74.25 H new ATOM 0 HB3 HIS A -6 -16.286 -15.926 -12.297 1.00 74.25 H new ATOM 0 HD2 HIS A -6 -13.339 -18.096 -13.749 1.00 45.32 H new ATOM 0 HE1 HIS A -6 -14.577 -19.763 -10.077 1.00 41.43 H new ATOM 0 HE2 HIS A -6 -12.838 -19.939 -11.936 1.00 24.33 H new ATOM 44 N HIS A -5 -18.333 -15.131 -14.048 1.00 62.03 N ATOM 45 CA HIS A -5 -19.052 -13.908 -14.327 1.00 41.34 C ATOM 46 C HIS A -5 -18.354 -12.761 -13.607 1.00 31.53 C ATOM 47 O HIS A -5 -18.309 -11.617 -14.093 1.00 10.03 O ATOM 48 CB HIS A -5 -20.515 -14.031 -13.846 1.00 62.51 C ATOM 49 CG HIS A -5 -21.364 -12.813 -14.092 1.00 43.12 C ATOM 50 ND1 HIS A -5 -21.864 -11.999 -13.094 1.00 45.04 N ATOM 51 CD2 HIS A -5 -21.814 -12.296 -15.252 1.00 42.22 C ATOM 52 CE1 HIS A -5 -22.587 -11.037 -13.668 1.00 14.23 C ATOM 53 NE2 HIS A -5 -22.590 -11.171 -14.988 1.00 1.52 N ATOM 0 H HIS A -5 -18.731 -15.691 -13.294 1.00 62.03 H new ATOM 0 HA HIS A -5 -19.061 -13.718 -15.400 1.00 41.34 H new ATOM 0 HB2 HIS A -5 -20.976 -14.884 -14.343 1.00 62.51 H new ATOM 0 HB3 HIS A -5 -20.515 -14.247 -12.778 1.00 62.51 H new ATOM 0 HD1 HIS A -5 -21.707 -12.114 -12.093 1.00 45.04 H new ATOM 0 HD2 HIS A -5 -21.605 -12.693 -16.234 1.00 42.22 H new ATOM 0 HE1 HIS A -5 -23.101 -10.254 -13.131 1.00 14.23 H new ATOM 61 N HIS A -4 -17.809 -13.080 -12.465 1.00 4.52 N ATOM 62 CA HIS A -4 -17.147 -12.116 -11.627 1.00 52.10 C ATOM 63 C HIS A -4 -15.658 -12.248 -11.791 1.00 24.12 C ATOM 64 O HIS A -4 -15.149 -13.335 -12.071 1.00 15.53 O ATOM 65 CB HIS A -4 -17.555 -12.306 -10.158 1.00 14.31 C ATOM 66 CG HIS A -4 -19.039 -12.248 -9.949 1.00 15.43 C ATOM 67 ND1 HIS A -4 -19.787 -13.292 -9.454 1.00 41.11 N ATOM 68 CD2 HIS A -4 -19.918 -11.253 -10.213 1.00 2.54 C ATOM 69 CE1 HIS A -4 -21.060 -12.919 -9.435 1.00 72.22 C ATOM 70 NE2 HIS A -4 -21.200 -11.682 -9.890 1.00 12.42 N ATOM 0 H HIS A -4 -17.812 -14.027 -12.085 1.00 4.52 H new ATOM 0 HA HIS A -4 -17.448 -11.113 -11.928 1.00 52.10 H new ATOM 0 HB2 HIS A -4 -17.181 -13.267 -9.804 1.00 14.31 H new ATOM 0 HB3 HIS A -4 -17.078 -11.536 -9.552 1.00 14.31 H new ATOM 0 HD2 HIS A -4 -19.664 -10.282 -10.611 1.00 2.54 H new ATOM 0 HE1 HIS A -4 -21.874 -13.541 -9.094 1.00 72.22 H new ATOM 0 HE2 HIS A -4 -22.068 -11.155 -9.984 1.00 12.42 H new ATOM 78 N HIS A -3 -14.971 -11.160 -11.625 1.00 23.25 N ATOM 79 CA HIS A -3 -13.545 -11.121 -11.807 1.00 52.25 C ATOM 80 C HIS A -3 -12.872 -11.281 -10.465 1.00 55.32 C ATOM 81 O HIS A -3 -13.475 -11.003 -9.417 1.00 44.34 O ATOM 82 CB HIS A -3 -13.112 -9.791 -12.449 1.00 60.45 C ATOM 83 CG HIS A -3 -13.797 -9.474 -13.751 1.00 60.11 C ATOM 84 ND1 HIS A -3 -14.382 -8.259 -14.027 1.00 54.42 N ATOM 85 CD2 HIS A -3 -13.975 -10.239 -14.859 1.00 52.45 C ATOM 86 CE1 HIS A -3 -14.892 -8.316 -15.259 1.00 42.03 C ATOM 87 NE2 HIS A -3 -14.672 -9.502 -15.816 1.00 54.33 N ATOM 0 H HIS A -3 -15.383 -10.266 -11.358 1.00 23.25 H new ATOM 0 HA HIS A -3 -13.251 -11.933 -12.472 1.00 52.25 H new ATOM 0 HB2 HIS A -3 -13.306 -8.982 -11.745 1.00 60.45 H new ATOM 0 HB3 HIS A -3 -12.035 -9.817 -12.616 1.00 60.45 H new ATOM 0 HD2 HIS A -3 -13.632 -11.256 -14.980 1.00 52.45 H new ATOM 0 HE1 HIS A -3 -15.416 -7.503 -15.741 1.00 42.03 H new ATOM 0 HE2 HIS A -3 -14.954 -9.809 -16.747 1.00 54.33 H new ATOM 95 N HIS A -2 -11.657 -11.729 -10.478 1.00 51.20 N ATOM 96 CA HIS A -2 -10.896 -11.922 -9.265 1.00 43.24 C ATOM 97 C HIS A -2 -10.097 -10.664 -8.996 1.00 61.44 C ATOM 98 O HIS A -2 -9.288 -10.259 -9.831 1.00 15.44 O ATOM 99 CB HIS A -2 -9.984 -13.153 -9.385 1.00 12.34 C ATOM 100 CG HIS A -2 -10.729 -14.462 -9.518 1.00 40.03 C ATOM 101 ND1 HIS A -2 -10.831 -15.395 -8.510 1.00 32.02 N ATOM 102 CD2 HIS A -2 -11.389 -14.994 -10.579 1.00 30.41 C ATOM 103 CE1 HIS A -2 -11.528 -16.437 -8.971 1.00 43.12 C ATOM 104 NE2 HIS A -2 -11.890 -16.243 -10.225 1.00 71.40 N ATOM 0 H HIS A -2 -11.154 -11.975 -11.330 1.00 51.20 H new ATOM 0 HA HIS A -2 -11.569 -12.107 -8.428 1.00 43.24 H new ATOM 0 HB2 HIS A -2 -9.334 -13.027 -10.251 1.00 12.34 H new ATOM 0 HB3 HIS A -2 -9.340 -13.201 -8.507 1.00 12.34 H new ATOM 0 HD2 HIS A -2 -11.506 -14.523 -11.544 1.00 30.41 H new ATOM 0 HE1 HIS A -2 -11.764 -17.320 -8.395 1.00 43.12 H new ATOM 0 HE2 HIS A -2 -12.427 -16.879 -10.814 1.00 71.40 H new ATOM 112 N HIS A -1 -10.346 -10.060 -7.846 1.00 12.15 N ATOM 113 CA HIS A -1 -9.809 -8.750 -7.469 1.00 44.35 C ATOM 114 C HIS A -1 -10.480 -7.677 -8.319 1.00 60.12 C ATOM 115 O HIS A -1 -10.037 -7.350 -9.435 1.00 71.02 O ATOM 116 CB HIS A -1 -8.256 -8.657 -7.513 1.00 21.02 C ATOM 117 CG HIS A -1 -7.552 -9.548 -6.518 1.00 40.31 C ATOM 118 ND1 HIS A -1 -6.781 -10.639 -6.864 1.00 33.31 N ATOM 119 CD2 HIS A -1 -7.493 -9.470 -5.162 1.00 72.22 C ATOM 120 CE1 HIS A -1 -6.296 -11.177 -5.746 1.00 63.02 C ATOM 121 NE2 HIS A -1 -6.693 -10.506 -4.677 1.00 21.53 N ATOM 0 H HIS A -1 -10.941 -10.472 -7.127 1.00 12.15 H new ATOM 0 HA HIS A -1 -10.047 -8.587 -6.418 1.00 44.35 H new ATOM 0 HB2 HIS A -1 -7.917 -8.914 -8.517 1.00 21.02 H new ATOM 0 HB3 HIS A -1 -7.960 -7.624 -7.331 1.00 21.02 H new ATOM 0 HD2 HIS A -1 -7.987 -8.725 -4.556 1.00 72.22 H new ATOM 0 HE1 HIS A -1 -5.660 -12.049 -5.716 1.00 63.02 H new ATOM 0 HE2 HIS A -1 -6.463 -10.704 -3.703 1.00 21.53 H new ATOM 129 N ASN A 60 -11.594 -7.196 -7.798 1.00 44.23 N ATOM 130 CA ASN A 60 -12.479 -6.246 -8.470 1.00 32.22 C ATOM 131 C ASN A 60 -11.766 -4.977 -8.871 1.00 33.23 C ATOM 132 O ASN A 60 -10.898 -4.454 -8.127 1.00 61.55 O ATOM 133 CB ASN A 60 -13.694 -5.878 -7.585 1.00 53.50 C ATOM 134 CG ASN A 60 -14.593 -7.054 -7.243 1.00 53.01 C ATOM 135 OD1 ASN A 60 -15.528 -7.379 -7.988 1.00 73.34 O ATOM 136 ND2 ASN A 60 -14.349 -7.681 -6.113 1.00 42.42 N ATOM 0 H ASN A 60 -11.923 -7.460 -6.869 1.00 44.23 H new ATOM 0 HA ASN A 60 -12.824 -6.751 -9.372 1.00 32.22 H new ATOM 0 HB2 ASN A 60 -13.333 -5.430 -6.659 1.00 53.50 H new ATOM 0 HB3 ASN A 60 -14.286 -5.119 -8.097 1.00 53.50 H new ATOM 0 HD21 ASN A 60 -14.939 -8.462 -5.826 1.00 42.42 H new ATOM 0 HD22 ASN A 60 -13.570 -7.386 -5.524 1.00 42.42 H new ATOM 143 N GLN A 61 -12.118 -4.479 -10.035 1.00 22.40 N ATOM 144 CA GLN A 61 -11.578 -3.238 -10.514 1.00 71.15 C ATOM 145 C GLN A 61 -12.182 -2.063 -9.755 1.00 32.52 C ATOM 146 O GLN A 61 -13.210 -2.220 -9.072 1.00 53.41 O ATOM 147 CB GLN A 61 -11.738 -3.085 -12.030 1.00 12.03 C ATOM 148 CG GLN A 61 -13.159 -3.197 -12.548 1.00 33.52 C ATOM 149 CD GLN A 61 -13.227 -2.998 -14.044 1.00 54.32 C ATOM 150 OE1 GLN A 61 -12.276 -3.297 -14.770 1.00 43.04 O ATOM 151 NE2 GLN A 61 -14.332 -2.503 -14.523 1.00 53.34 N ATOM 0 H GLN A 61 -12.782 -4.923 -10.669 1.00 22.40 H new ATOM 0 HA GLN A 61 -10.505 -3.246 -10.321 1.00 71.15 H new ATOM 0 HB2 GLN A 61 -11.337 -2.115 -12.325 1.00 12.03 H new ATOM 0 HB3 GLN A 61 -11.129 -3.844 -12.521 1.00 12.03 H new ATOM 0 HG2 GLN A 61 -13.563 -4.177 -12.293 1.00 33.52 H new ATOM 0 HG3 GLN A 61 -13.786 -2.455 -12.054 1.00 33.52 H new ATOM 0 HE21 GLN A 61 -15.100 -2.266 -13.894 1.00 53.34 H new ATOM 0 HE22 GLN A 61 -14.430 -2.352 -15.527 1.00 53.34 H new ATOM 160 N GLN A 62 -11.561 -0.910 -9.921 1.00 50.43 N ATOM 161 CA GLN A 62 -11.842 0.319 -9.189 1.00 25.43 C ATOM 162 C GLN A 62 -11.208 0.282 -7.835 1.00 5.43 C ATOM 163 O GLN A 62 -11.765 -0.259 -6.875 1.00 44.24 O ATOM 164 CB GLN A 62 -13.322 0.734 -9.061 1.00 22.52 C ATOM 165 CG GLN A 62 -14.003 1.183 -10.332 1.00 40.41 C ATOM 166 CD GLN A 62 -15.375 1.772 -10.036 1.00 0.11 C ATOM 167 OE1 GLN A 62 -15.606 2.347 -8.968 1.00 13.01 O ATOM 168 NE2 GLN A 62 -16.280 1.655 -10.956 1.00 42.42 N ATOM 0 H GLN A 62 -10.810 -0.796 -10.602 1.00 50.43 H new ATOM 0 HA GLN A 62 -11.399 1.092 -9.817 1.00 25.43 H new ATOM 0 HB2 GLN A 62 -13.880 -0.109 -8.653 1.00 22.52 H new ATOM 0 HB3 GLN A 62 -13.389 1.542 -8.333 1.00 22.52 H new ATOM 0 HG2 GLN A 62 -13.385 1.926 -10.837 1.00 40.41 H new ATOM 0 HG3 GLN A 62 -14.105 0.338 -11.012 1.00 40.41 H new ATOM 0 HE21 GLN A 62 -16.061 1.175 -11.829 1.00 42.42 H new ATOM 0 HE22 GLN A 62 -17.211 2.043 -10.807 1.00 42.42 H new ATOM 177 N ASN A 63 -10.017 0.768 -7.772 1.00 13.01 N ATOM 178 CA ASN A 63 -9.368 0.965 -6.517 1.00 44.41 C ATOM 179 C ASN A 63 -9.511 2.425 -6.176 1.00 12.02 C ATOM 180 O ASN A 63 -9.989 3.208 -7.022 1.00 42.34 O ATOM 181 CB ASN A 63 -7.901 0.499 -6.510 1.00 12.44 C ATOM 182 CG ASN A 63 -7.058 1.136 -7.577 1.00 12.44 C ATOM 183 OD1 ASN A 63 -6.495 2.200 -7.386 1.00 73.41 O ATOM 184 ND2 ASN A 63 -6.939 0.470 -8.703 1.00 44.35 N ATOM 0 H ASN A 63 -9.464 1.040 -8.585 1.00 13.01 H new ATOM 0 HA ASN A 63 -9.841 0.345 -5.756 1.00 44.41 H new ATOM 0 HB2 ASN A 63 -7.464 0.719 -5.536 1.00 12.44 H new ATOM 0 HB3 ASN A 63 -7.873 -0.583 -6.635 1.00 12.44 H new ATOM 0 HD21 ASN A 63 -6.359 0.841 -9.456 1.00 44.35 H new ATOM 0 HD22 ASN A 63 -7.426 -0.418 -8.824 1.00 44.35 H new ATOM 191 N LYS A 64 -9.115 2.822 -5.012 1.00 42.43 N ATOM 192 CA LYS A 64 -9.385 4.166 -4.568 1.00 52.42 C ATOM 193 C LYS A 64 -8.395 5.165 -5.129 1.00 65.22 C ATOM 194 O LYS A 64 -8.783 6.258 -5.539 1.00 51.14 O ATOM 195 CB LYS A 64 -9.394 4.247 -3.025 1.00 55.44 C ATOM 196 CG LYS A 64 -9.428 5.681 -2.516 1.00 44.32 C ATOM 197 CD LYS A 64 -9.368 5.802 -1.012 1.00 62.03 C ATOM 198 CE LYS A 64 -10.660 5.412 -0.341 1.00 53.40 C ATOM 199 NZ LYS A 64 -10.680 5.863 1.066 1.00 1.35 N ATOM 0 H LYS A 64 -8.604 2.243 -4.346 1.00 42.43 H new ATOM 0 HA LYS A 64 -10.373 4.427 -4.947 1.00 52.42 H new ATOM 0 HB2 LYS A 64 -10.260 3.708 -2.641 1.00 55.44 H new ATOM 0 HB3 LYS A 64 -8.508 3.747 -2.633 1.00 55.44 H new ATOM 0 HG2 LYS A 64 -8.590 6.229 -2.948 1.00 44.32 H new ATOM 0 HG3 LYS A 64 -10.340 6.160 -2.872 1.00 44.32 H new ATOM 0 HD2 LYS A 64 -8.563 5.172 -0.634 1.00 62.03 H new ATOM 0 HD3 LYS A 64 -9.121 6.829 -0.745 1.00 62.03 H new ATOM 0 HE2 LYS A 64 -11.501 5.850 -0.879 1.00 53.40 H new ATOM 0 HE3 LYS A 64 -10.784 4.330 -0.382 1.00 53.40 H new ATOM 0 HZ1 LYS A 64 -11.618 6.251 1.293 1.00 1.35 H new ATOM 0 HZ2 LYS A 64 -10.478 5.057 1.692 1.00 1.35 H new ATOM 0 HZ3 LYS A 64 -9.958 6.599 1.205 1.00 1.35 H new ATOM 213 N LYS A 65 -7.152 4.753 -5.185 1.00 10.44 N ATOM 214 CA LYS A 65 -6.020 5.607 -5.449 1.00 3.14 C ATOM 215 C LYS A 65 -5.668 6.294 -4.169 1.00 14.21 C ATOM 216 O LYS A 65 -6.295 7.291 -3.778 1.00 2.24 O ATOM 217 CB LYS A 65 -6.138 6.597 -6.675 1.00 52.34 C ATOM 218 CG LYS A 65 -4.978 7.626 -6.782 1.00 21.52 C ATOM 219 CD LYS A 65 -3.638 6.935 -6.622 1.00 63.13 C ATOM 220 CE LYS A 65 -2.448 7.862 -6.611 1.00 21.01 C ATOM 221 NZ LYS A 65 -2.049 8.335 -7.952 1.00 72.31 N ATOM 0 H LYS A 65 -6.892 3.777 -5.043 1.00 10.44 H new ATOM 0 HA LYS A 65 -5.209 4.965 -5.792 1.00 3.14 H new ATOM 0 HB2 LYS A 65 -6.176 6.014 -7.595 1.00 52.34 H new ATOM 0 HB3 LYS A 65 -7.082 7.138 -6.601 1.00 52.34 H new ATOM 0 HG2 LYS A 65 -5.020 8.131 -7.747 1.00 21.52 H new ATOM 0 HG3 LYS A 65 -5.092 8.393 -6.016 1.00 21.52 H new ATOM 0 HD2 LYS A 65 -3.647 6.366 -5.692 1.00 63.13 H new ATOM 0 HD3 LYS A 65 -3.515 6.218 -7.434 1.00 63.13 H new ATOM 0 HE2 LYS A 65 -2.677 8.724 -5.985 1.00 21.01 H new ATOM 0 HE3 LYS A 65 -1.604 7.349 -6.151 1.00 21.01 H new ATOM 0 HZ1 LYS A 65 -1.342 9.092 -7.857 1.00 72.31 H new ATOM 0 HZ2 LYS A 65 -1.640 7.545 -8.491 1.00 72.31 H new ATOM 0 HZ3 LYS A 65 -2.883 8.701 -8.453 1.00 72.31 H new ATOM 235 N VAL A 66 -4.737 5.645 -3.501 1.00 71.23 N ATOM 236 CA VAL A 66 -4.135 5.998 -2.238 1.00 33.34 C ATOM 237 C VAL A 66 -4.234 7.545 -1.901 1.00 53.32 C ATOM 238 O VAL A 66 -3.781 8.420 -2.678 1.00 61.50 O ATOM 239 CB VAL A 66 -2.649 5.480 -2.260 1.00 0.40 C ATOM 240 CG1 VAL A 66 -1.695 6.419 -2.951 1.00 33.24 C ATOM 241 CG2 VAL A 66 -2.162 5.046 -0.906 1.00 24.13 C ATOM 0 H VAL A 66 -4.348 4.775 -3.866 1.00 71.23 H new ATOM 0 HA VAL A 66 -4.689 5.519 -1.431 1.00 33.34 H new ATOM 0 HB VAL A 66 -2.667 4.582 -2.877 1.00 0.40 H new ATOM 0 HG11 VAL A 66 -0.690 5.998 -2.928 1.00 33.24 H new ATOM 0 HG12 VAL A 66 -2.007 6.558 -3.986 1.00 33.24 H new ATOM 0 HG13 VAL A 66 -1.697 7.381 -2.439 1.00 33.24 H new ATOM 0 HG21 VAL A 66 -1.132 4.699 -0.984 1.00 24.13 H new ATOM 0 HG22 VAL A 66 -2.210 5.888 -0.215 1.00 24.13 H new ATOM 0 HG23 VAL A 66 -2.791 4.236 -0.536 1.00 24.13 H new ATOM 251 N GLU A 67 -4.897 7.871 -0.791 1.00 51.34 N ATOM 252 CA GLU A 67 -5.069 9.277 -0.384 1.00 33.11 C ATOM 253 C GLU A 67 -4.002 9.693 0.595 1.00 64.14 C ATOM 254 O GLU A 67 -3.159 10.537 0.278 1.00 41.22 O ATOM 255 CB GLU A 67 -6.430 9.479 0.253 1.00 22.02 C ATOM 256 CG GLU A 67 -7.548 8.902 -0.550 1.00 64.00 C ATOM 257 CD GLU A 67 -8.888 9.033 0.149 1.00 50.14 C ATOM 258 OE1 GLU A 67 -9.224 8.183 1.004 1.00 5.22 O ATOM 259 OE2 GLU A 67 -9.640 9.978 -0.150 1.00 0.11 O ATOM 0 H GLU A 67 -5.322 7.192 -0.159 1.00 51.34 H new ATOM 0 HA GLU A 67 -4.987 9.892 -1.280 1.00 33.11 H new ATOM 0 HB2 GLU A 67 -6.431 9.025 1.244 1.00 22.02 H new ATOM 0 HB3 GLU A 67 -6.604 10.546 0.392 1.00 22.02 H new ATOM 0 HG2 GLU A 67 -7.595 9.404 -1.516 1.00 64.00 H new ATOM 0 HG3 GLU A 67 -7.345 7.849 -0.747 1.00 64.00 H new ATOM 266 N GLY A 68 -4.048 9.135 1.780 1.00 1.52 N ATOM 267 CA GLY A 68 -3.046 9.419 2.762 1.00 14.24 C ATOM 268 C GLY A 68 -2.929 8.299 3.735 1.00 23.10 C ATOM 269 O GLY A 68 -2.590 8.484 4.901 1.00 64.24 O ATOM 0 H GLY A 68 -4.771 8.482 2.082 1.00 1.52 H new ATOM 0 HA2 GLY A 68 -2.086 9.583 2.272 1.00 14.24 H new ATOM 0 HA3 GLY A 68 -3.297 10.340 3.289 1.00 14.24 H new ATOM 273 N GLY A 69 -3.206 7.145 3.249 1.00 4.42 N ATOM 274 CA GLY A 69 -3.181 5.972 4.054 1.00 3.51 C ATOM 275 C GLY A 69 -2.597 4.808 3.321 1.00 20.43 C ATOM 276 O GLY A 69 -1.889 4.977 2.345 1.00 72.33 O ATOM 0 H GLY A 69 -3.459 6.983 2.274 1.00 4.42 H new ATOM 0 HA2 GLY A 69 -2.599 6.162 4.956 1.00 3.51 H new ATOM 0 HA3 GLY A 69 -4.194 5.729 4.374 1.00 3.51 H new ATOM 280 N TYR A 70 -2.932 3.628 3.737 1.00 44.21 N ATOM 281 CA TYR A 70 -2.381 2.448 3.140 1.00 23.13 C ATOM 282 C TYR A 70 -3.458 1.717 2.389 1.00 52.01 C ATOM 283 O TYR A 70 -4.408 1.203 2.978 1.00 33.04 O ATOM 284 CB TYR A 70 -1.736 1.570 4.218 1.00 3.30 C ATOM 285 CG TYR A 70 -0.877 2.369 5.181 1.00 52.43 C ATOM 286 CD1 TYR A 70 0.201 3.129 4.733 1.00 75.51 C ATOM 287 CD2 TYR A 70 -1.173 2.395 6.531 1.00 73.03 C ATOM 288 CE1 TYR A 70 0.951 3.889 5.607 1.00 53.22 C ATOM 289 CE2 TYR A 70 -0.431 3.141 7.408 1.00 64.51 C ATOM 290 CZ TYR A 70 0.632 3.893 6.945 1.00 63.22 C ATOM 291 OH TYR A 70 1.382 4.657 7.826 1.00 13.02 O ATOM 0 H TYR A 70 -3.591 3.453 4.496 1.00 44.21 H new ATOM 0 HA TYR A 70 -1.601 2.718 2.429 1.00 23.13 H new ATOM 0 HB2 TYR A 70 -2.517 1.053 4.776 1.00 3.30 H new ATOM 0 HB3 TYR A 70 -1.125 0.804 3.741 1.00 3.30 H new ATOM 0 HD1 TYR A 70 0.454 3.123 3.683 1.00 75.51 H new ATOM 0 HD2 TYR A 70 -2.006 1.816 6.902 1.00 73.03 H new ATOM 0 HE1 TYR A 70 1.782 4.476 5.244 1.00 53.22 H new ATOM 0 HE2 TYR A 70 -0.676 3.142 8.460 1.00 64.51 H new ATOM 0 HH TYR A 70 1.028 4.552 8.734 1.00 13.02 H new ATOM 301 N GLU A 71 -3.343 1.763 1.089 1.00 0.13 N ATOM 302 CA GLU A 71 -4.253 1.110 0.193 1.00 52.03 C ATOM 303 C GLU A 71 -3.677 -0.257 -0.103 1.00 55.30 C ATOM 304 O GLU A 71 -2.561 -0.352 -0.607 1.00 55.31 O ATOM 305 CB GLU A 71 -4.404 1.958 -1.093 1.00 74.23 C ATOM 306 CG GLU A 71 -5.301 1.360 -2.172 1.00 21.32 C ATOM 307 CD GLU A 71 -5.440 2.264 -3.398 1.00 31.41 C ATOM 308 OE1 GLU A 71 -4.421 2.860 -3.853 1.00 45.24 O ATOM 309 OE2 GLU A 71 -6.575 2.432 -3.893 1.00 62.44 O ATOM 0 H GLU A 71 -2.595 2.268 0.614 1.00 0.13 H new ATOM 0 HA GLU A 71 -5.247 1.002 0.628 1.00 52.03 H new ATOM 0 HB2 GLU A 71 -4.799 2.936 -0.818 1.00 74.23 H new ATOM 0 HB3 GLU A 71 -3.414 2.122 -1.518 1.00 74.23 H new ATOM 0 HG2 GLU A 71 -4.896 0.396 -2.481 1.00 21.32 H new ATOM 0 HG3 GLU A 71 -6.289 1.171 -1.752 1.00 21.32 H new ATOM 316 N CYS A 72 -4.413 -1.290 0.263 1.00 20.31 N ATOM 317 CA CYS A 72 -3.966 -2.670 0.100 1.00 64.53 C ATOM 318 C CYS A 72 -3.652 -3.029 -1.350 1.00 30.00 C ATOM 319 O CYS A 72 -4.231 -2.502 -2.292 1.00 21.13 O ATOM 320 CB CYS A 72 -5.064 -3.656 0.509 1.00 42.01 C ATOM 321 SG CYS A 72 -5.667 -3.684 2.235 1.00 4.43 S ATOM 0 H CYS A 72 -5.339 -1.201 0.682 1.00 20.31 H new ATOM 0 HA CYS A 72 -3.074 -2.742 0.723 1.00 64.53 H new ATOM 0 HB2 CYS A 72 -5.925 -3.468 -0.133 1.00 42.01 H new ATOM 0 HB3 CYS A 72 -4.705 -4.658 0.274 1.00 42.01 H new ATOM 0 HG CYS A 72 -6.899 -4.099 2.258 1.00 4.43 H new ATOM 326 N LYS A 73 -2.746 -3.962 -1.501 1.00 21.44 N ATOM 327 CA LYS A 73 -2.506 -4.599 -2.757 1.00 53.02 C ATOM 328 C LYS A 73 -3.690 -5.498 -3.099 1.00 40.21 C ATOM 329 O LYS A 73 -4.105 -5.612 -4.255 1.00 21.21 O ATOM 330 CB LYS A 73 -1.203 -5.430 -2.642 1.00 52.44 C ATOM 331 CG LYS A 73 -1.058 -6.583 -3.631 1.00 12.25 C ATOM 332 CD LYS A 73 -1.118 -6.135 -5.067 1.00 74.54 C ATOM 333 CE LYS A 73 -1.206 -7.345 -5.977 1.00 2.44 C ATOM 334 NZ LYS A 73 -1.346 -6.984 -7.396 1.00 65.04 N ATOM 0 H LYS A 73 -2.152 -4.299 -0.743 1.00 21.44 H new ATOM 0 HA LYS A 73 -2.394 -3.860 -3.550 1.00 53.02 H new ATOM 0 HB2 LYS A 73 -0.354 -4.758 -2.770 1.00 52.44 H new ATOM 0 HB3 LYS A 73 -1.141 -5.834 -1.631 1.00 52.44 H new ATOM 0 HG2 LYS A 73 -0.110 -7.090 -3.453 1.00 12.25 H new ATOM 0 HG3 LYS A 73 -1.848 -7.312 -3.450 1.00 12.25 H new ATOM 0 HD2 LYS A 73 -1.982 -5.489 -5.221 1.00 74.54 H new ATOM 0 HD3 LYS A 73 -0.233 -5.547 -5.312 1.00 74.54 H new ATOM 0 HE2 LYS A 73 -0.312 -7.956 -5.849 1.00 2.44 H new ATOM 0 HE3 LYS A 73 -2.056 -7.958 -5.677 1.00 2.44 H new ATOM 0 HZ1 LYS A 73 -0.866 -7.695 -7.984 1.00 65.04 H new ATOM 0 HZ2 LYS A 73 -2.355 -6.950 -7.648 1.00 65.04 H new ATOM 0 HZ3 LYS A 73 -0.916 -6.051 -7.561 1.00 65.04 H new ATOM 348 N TYR A 74 -4.299 -6.013 -2.076 1.00 72.14 N ATOM 349 CA TYR A 74 -5.211 -7.090 -2.223 1.00 23.54 C ATOM 350 C TYR A 74 -6.657 -6.616 -2.229 1.00 61.41 C ATOM 351 O TYR A 74 -7.570 -7.430 -2.272 1.00 2.40 O ATOM 352 CB TYR A 74 -4.987 -8.094 -1.092 1.00 24.23 C ATOM 353 CG TYR A 74 -3.604 -8.032 -0.410 1.00 55.51 C ATOM 354 CD1 TYR A 74 -2.493 -8.693 -0.920 1.00 72.24 C ATOM 355 CD2 TYR A 74 -3.444 -7.327 0.777 1.00 22.31 C ATOM 356 CE1 TYR A 74 -1.272 -8.654 -0.250 1.00 21.20 C ATOM 357 CE2 TYR A 74 -2.241 -7.278 1.434 1.00 70.51 C ATOM 358 CZ TYR A 74 -1.161 -7.941 0.927 1.00 22.43 C ATOM 359 OH TYR A 74 0.033 -7.912 1.623 1.00 42.25 O ATOM 0 H TYR A 74 -4.173 -5.693 -1.116 1.00 72.14 H new ATOM 0 HA TYR A 74 -5.026 -7.565 -3.187 1.00 23.54 H new ATOM 0 HB2 TYR A 74 -5.754 -7.937 -0.333 1.00 24.23 H new ATOM 0 HB3 TYR A 74 -5.132 -9.099 -1.488 1.00 24.23 H new ATOM 0 HD1 TYR A 74 -2.577 -9.243 -1.846 1.00 72.24 H new ATOM 0 HD2 TYR A 74 -4.291 -6.803 1.194 1.00 22.31 H new ATOM 0 HE1 TYR A 74 -0.417 -9.179 -0.649 1.00 21.20 H new ATOM 0 HE2 TYR A 74 -2.148 -6.716 2.351 1.00 70.51 H new ATOM 0 HH TYR A 74 -0.070 -7.361 2.427 1.00 42.25 H new ATOM 369 N CYS A 75 -6.871 -5.306 -2.203 1.00 15.41 N ATOM 370 CA CYS A 75 -8.223 -4.779 -2.206 1.00 55.40 C ATOM 371 C CYS A 75 -8.245 -3.282 -2.486 1.00 43.02 C ATOM 372 O CYS A 75 -7.205 -2.675 -2.664 1.00 33.41 O ATOM 373 CB CYS A 75 -8.937 -5.095 -0.882 1.00 10.10 C ATOM 374 SG CYS A 75 -8.204 -4.334 0.627 1.00 62.11 S ATOM 0 H CYS A 75 -6.135 -4.601 -2.180 1.00 15.41 H new ATOM 0 HA CYS A 75 -8.762 -5.272 -3.015 1.00 55.40 H new ATOM 0 HB2 CYS A 75 -9.974 -4.768 -0.963 1.00 10.10 H new ATOM 0 HB3 CYS A 75 -8.953 -6.177 -0.749 1.00 10.10 H new ATOM 0 HG CYS A 75 -7.391 -5.179 1.188 1.00 62.11 H new ATOM 379 N THR A 76 -9.437 -2.731 -2.530 1.00 53.44 N ATOM 380 CA THR A 76 -9.682 -1.312 -2.756 1.00 75.45 C ATOM 381 C THR A 76 -9.727 -0.557 -1.397 1.00 1.44 C ATOM 382 O THR A 76 -9.761 0.672 -1.335 1.00 13.01 O ATOM 383 CB THR A 76 -11.058 -1.192 -3.498 1.00 43.55 C ATOM 384 OG1 THR A 76 -10.999 -1.880 -4.771 1.00 25.44 O ATOM 385 CG2 THR A 76 -11.522 0.259 -3.695 1.00 12.13 C ATOM 0 H THR A 76 -10.294 -3.270 -2.406 1.00 53.44 H new ATOM 0 HA THR A 76 -8.886 -0.869 -3.355 1.00 75.45 H new ATOM 0 HB THR A 76 -11.800 -1.665 -2.855 1.00 43.55 H new ATOM 0 HG1 THR A 76 -11.279 -1.271 -5.486 1.00 25.44 H new ATOM 0 HG21 THR A 76 -12.480 0.267 -4.215 1.00 12.13 H new ATOM 0 HG22 THR A 76 -11.632 0.741 -2.724 1.00 12.13 H new ATOM 0 HG23 THR A 76 -10.784 0.800 -4.287 1.00 12.13 H new ATOM 393 N PHE A 77 -9.686 -1.305 -0.320 1.00 33.43 N ATOM 394 CA PHE A 77 -9.846 -0.730 0.994 1.00 54.42 C ATOM 395 C PHE A 77 -8.535 -0.185 1.520 1.00 31.31 C ATOM 396 O PHE A 77 -7.496 -0.872 1.494 1.00 74.32 O ATOM 397 CB PHE A 77 -10.465 -1.745 1.952 1.00 34.15 C ATOM 398 CG PHE A 77 -11.780 -2.273 1.448 1.00 24.14 C ATOM 399 CD1 PHE A 77 -12.927 -1.508 1.533 1.00 53.52 C ATOM 400 CD2 PHE A 77 -11.860 -3.524 0.874 1.00 34.13 C ATOM 401 CE1 PHE A 77 -14.129 -1.983 1.049 1.00 43.44 C ATOM 402 CE2 PHE A 77 -13.058 -4.007 0.392 1.00 53.44 C ATOM 403 CZ PHE A 77 -14.195 -3.235 0.479 1.00 4.44 C ATOM 0 H PHE A 77 -9.543 -2.315 -0.328 1.00 33.43 H new ATOM 0 HA PHE A 77 -10.532 0.114 0.917 1.00 54.42 H new ATOM 0 HB2 PHE A 77 -9.773 -2.575 2.096 1.00 34.15 H new ATOM 0 HB3 PHE A 77 -10.612 -1.280 2.927 1.00 34.15 H new ATOM 0 HD1 PHE A 77 -12.883 -0.527 1.983 1.00 53.52 H new ATOM 0 HD2 PHE A 77 -10.972 -4.134 0.801 1.00 34.13 H new ATOM 0 HE1 PHE A 77 -15.018 -1.373 1.117 1.00 43.44 H new ATOM 0 HE2 PHE A 77 -13.105 -4.990 -0.053 1.00 53.44 H new ATOM 0 HZ PHE A 77 -15.135 -3.610 0.102 1.00 4.44 H new ATOM 413 N GLN A 78 -8.605 1.032 2.000 1.00 71.12 N ATOM 414 CA GLN A 78 -7.474 1.767 2.494 1.00 43.13 C ATOM 415 C GLN A 78 -7.723 2.267 3.902 1.00 53.11 C ATOM 416 O GLN A 78 -8.836 2.685 4.230 1.00 72.25 O ATOM 417 CB GLN A 78 -7.166 2.961 1.562 1.00 54.23 C ATOM 418 CG GLN A 78 -6.398 4.100 2.234 1.00 50.35 C ATOM 419 CD GLN A 78 -5.859 5.122 1.284 1.00 32.40 C ATOM 420 OE1 GLN A 78 -6.512 6.072 0.921 1.00 71.30 O ATOM 421 NE2 GLN A 78 -4.635 4.973 0.955 1.00 1.54 N ATOM 0 H GLN A 78 -9.480 1.552 2.058 1.00 71.12 H new ATOM 0 HA GLN A 78 -6.617 1.094 2.514 1.00 43.13 H new ATOM 0 HB2 GLN A 78 -6.589 2.602 0.709 1.00 54.23 H new ATOM 0 HB3 GLN A 78 -8.105 3.353 1.170 1.00 54.23 H new ATOM 0 HG2 GLN A 78 -7.056 4.595 2.948 1.00 50.35 H new ATOM 0 HG3 GLN A 78 -5.570 3.678 2.804 1.00 50.35 H new ATOM 0 HE21 GLN A 78 -4.115 4.158 1.280 1.00 1.54 H new ATOM 0 HE22 GLN A 78 -4.177 5.669 0.367 1.00 1.54 H new ATOM 430 N THR A 79 -6.702 2.223 4.702 1.00 30.44 N ATOM 431 CA THR A 79 -6.723 2.770 6.022 1.00 23.21 C ATOM 432 C THR A 79 -5.363 3.424 6.304 1.00 41.15 C ATOM 433 O THR A 79 -4.323 2.862 5.979 1.00 62.22 O ATOM 434 CB THR A 79 -7.066 1.703 7.108 1.00 53.42 C ATOM 435 OG1 THR A 79 -7.040 2.299 8.412 1.00 5.42 O ATOM 436 CG2 THR A 79 -6.102 0.532 7.066 1.00 61.10 C ATOM 0 H THR A 79 -5.811 1.796 4.448 1.00 30.44 H new ATOM 0 HA THR A 79 -7.516 3.516 6.073 1.00 23.21 H new ATOM 0 HB THR A 79 -8.067 1.328 6.895 1.00 53.42 H new ATOM 0 HG1 THR A 79 -7.782 1.947 8.947 1.00 5.42 H new ATOM 0 HG21 THR A 79 -6.373 -0.190 7.836 1.00 61.10 H new ATOM 0 HG22 THR A 79 -6.152 0.054 6.087 1.00 61.10 H new ATOM 0 HG23 THR A 79 -5.088 0.889 7.244 1.00 61.10 H new ATOM 444 N PRO A 80 -5.348 4.670 6.785 1.00 62.54 N ATOM 445 CA PRO A 80 -4.106 5.358 7.158 1.00 71.15 C ATOM 446 C PRO A 80 -3.509 4.862 8.469 1.00 54.30 C ATOM 447 O PRO A 80 -2.417 5.293 8.873 1.00 4.05 O ATOM 448 CB PRO A 80 -4.510 6.820 7.258 1.00 72.02 C ATOM 449 CG PRO A 80 -5.973 6.800 7.529 1.00 14.44 C ATOM 450 CD PRO A 80 -6.523 5.546 6.908 1.00 2.52 C ATOM 0 HA PRO A 80 -3.321 5.175 6.425 1.00 71.15 H new ATOM 0 HB2 PRO A 80 -3.968 7.325 8.057 1.00 72.02 H new ATOM 0 HB3 PRO A 80 -4.287 7.355 6.335 1.00 72.02 H new ATOM 0 HG2 PRO A 80 -6.166 6.815 8.602 1.00 14.44 H new ATOM 0 HG3 PRO A 80 -6.455 7.682 7.106 1.00 14.44 H new ATOM 0 HD2 PRO A 80 -7.294 5.095 7.533 1.00 2.52 H new ATOM 0 HD3 PRO A 80 -6.976 5.746 5.937 1.00 2.52 H new ATOM 458 N ASP A 81 -4.207 3.971 9.114 1.00 2.32 N ATOM 459 CA ASP A 81 -3.742 3.382 10.339 1.00 60.23 C ATOM 460 C ASP A 81 -3.046 2.095 10.013 1.00 43.20 C ATOM 461 O ASP A 81 -3.664 1.178 9.493 1.00 3.43 O ATOM 462 CB ASP A 81 -4.897 3.085 11.295 1.00 35.53 C ATOM 463 CG ASP A 81 -5.595 4.307 11.827 1.00 42.35 C ATOM 464 OD1 ASP A 81 -5.174 4.835 12.880 1.00 54.32 O ATOM 465 OD2 ASP A 81 -6.593 4.741 11.227 1.00 0.40 O ATOM 0 H ASP A 81 -5.118 3.631 8.805 1.00 2.32 H new ATOM 0 HA ASP A 81 -3.068 4.086 10.826 1.00 60.23 H new ATOM 0 HB2 ASP A 81 -5.627 2.460 10.780 1.00 35.53 H new ATOM 0 HB3 ASP A 81 -4.517 2.504 12.135 1.00 35.53 H new ATOM 470 N LEU A 82 -1.763 2.030 10.296 1.00 24.11 N ATOM 471 CA LEU A 82 -0.955 0.858 10.053 1.00 21.12 C ATOM 472 C LEU A 82 -1.537 -0.304 10.841 1.00 10.20 C ATOM 473 O LEU A 82 -1.637 -1.409 10.330 1.00 71.45 O ATOM 474 CB LEU A 82 0.498 1.117 10.493 1.00 61.51 C ATOM 475 CG LEU A 82 1.613 0.340 9.752 1.00 63.22 C ATOM 476 CD1 LEU A 82 1.394 -1.153 9.780 1.00 62.32 C ATOM 477 CD2 LEU A 82 1.712 0.817 8.332 1.00 31.34 C ATOM 0 H LEU A 82 -1.244 2.805 10.709 1.00 24.11 H new ATOM 0 HA LEU A 82 -0.956 0.623 8.989 1.00 21.12 H new ATOM 0 HB2 LEU A 82 0.699 2.183 10.383 1.00 61.51 H new ATOM 0 HB3 LEU A 82 0.575 0.886 11.556 1.00 61.51 H new ATOM 0 HG LEU A 82 2.548 0.538 10.277 1.00 63.22 H new ATOM 0 HD11 LEU A 82 2.204 -1.650 9.246 1.00 62.32 H new ATOM 0 HD12 LEU A 82 1.375 -1.499 10.814 1.00 62.32 H new ATOM 0 HD13 LEU A 82 0.444 -1.391 9.300 1.00 62.32 H new ATOM 0 HD21 LEU A 82 2.499 0.266 7.817 1.00 31.34 H new ATOM 0 HD22 LEU A 82 0.761 0.651 7.825 1.00 31.34 H new ATOM 0 HD23 LEU A 82 1.948 1.881 8.321 1.00 31.34 H new ATOM 489 N ASN A 83 -1.951 -0.023 12.077 1.00 31.14 N ATOM 490 CA ASN A 83 -2.573 -1.004 12.943 1.00 11.53 C ATOM 491 C ASN A 83 -3.736 -1.636 12.242 1.00 34.41 C ATOM 492 O ASN A 83 -3.805 -2.848 12.127 1.00 15.13 O ATOM 493 CB ASN A 83 -3.090 -0.329 14.199 1.00 52.52 C ATOM 494 CG ASN A 83 -3.765 -1.269 15.169 1.00 42.52 C ATOM 495 OD1 ASN A 83 -4.634 -0.861 15.920 1.00 12.22 O ATOM 496 ND2 ASN A 83 -3.436 -2.515 15.135 1.00 12.43 N ATOM 0 H ASN A 83 -1.860 0.900 12.501 1.00 31.14 H new ATOM 0 HA ASN A 83 -1.830 -1.760 13.199 1.00 11.53 H new ATOM 0 HB2 ASN A 83 -2.258 0.162 14.704 1.00 52.52 H new ATOM 0 HB3 ASN A 83 -3.796 0.452 13.915 1.00 52.52 H new ATOM 0 HD21 ASN A 83 -3.906 -3.183 15.745 1.00 12.43 H new ATOM 0 HD22 ASN A 83 -2.705 -2.832 14.498 1.00 12.43 H new ATOM 503 N MET A 84 -4.604 -0.802 11.717 1.00 71.41 N ATOM 504 CA MET A 84 -5.805 -1.270 11.067 1.00 20.13 C ATOM 505 C MET A 84 -5.456 -1.923 9.772 1.00 61.43 C ATOM 506 O MET A 84 -6.087 -2.869 9.378 1.00 54.01 O ATOM 507 CB MET A 84 -6.794 -0.140 10.835 1.00 4.31 C ATOM 508 CG MET A 84 -7.174 0.602 12.093 1.00 33.11 C ATOM 509 SD MET A 84 -7.931 -0.454 13.353 1.00 23.14 S ATOM 510 CE MET A 84 -8.248 0.758 14.639 1.00 4.23 C ATOM 0 H MET A 84 -4.498 0.212 11.728 1.00 71.41 H new ATOM 0 HA MET A 84 -6.283 -1.996 11.724 1.00 20.13 H new ATOM 0 HB2 MET A 84 -6.365 0.565 10.123 1.00 4.31 H new ATOM 0 HB3 MET A 84 -7.696 -0.547 10.377 1.00 4.31 H new ATOM 0 HG2 MET A 84 -6.284 1.072 12.511 1.00 33.11 H new ATOM 0 HG3 MET A 84 -7.867 1.403 11.837 1.00 33.11 H new ATOM 0 HE1 MET A 84 -8.716 0.268 15.493 1.00 4.23 H new ATOM 0 HE2 MET A 84 -7.307 1.212 14.951 1.00 4.23 H new ATOM 0 HE3 MET A 84 -8.913 1.531 14.254 1.00 4.23 H new ATOM 520 N PHE A 85 -4.420 -1.424 9.130 1.00 10.30 N ATOM 521 CA PHE A 85 -3.946 -1.986 7.889 1.00 4.14 C ATOM 522 C PHE A 85 -3.469 -3.416 8.082 1.00 24.35 C ATOM 523 O PHE A 85 -3.983 -4.319 7.456 1.00 13.51 O ATOM 524 CB PHE A 85 -2.833 -1.110 7.274 1.00 62.52 C ATOM 525 CG PHE A 85 -2.173 -1.742 6.073 1.00 62.24 C ATOM 526 CD1 PHE A 85 -2.787 -1.737 4.817 1.00 73.32 C ATOM 527 CD2 PHE A 85 -0.942 -2.363 6.209 1.00 74.22 C ATOM 528 CE1 PHE A 85 -2.174 -2.336 3.736 1.00 71.03 C ATOM 529 CE2 PHE A 85 -0.332 -2.964 5.130 1.00 32.13 C ATOM 530 CZ PHE A 85 -0.949 -2.950 3.891 1.00 22.10 C ATOM 0 H PHE A 85 -3.886 -0.619 9.456 1.00 10.30 H new ATOM 0 HA PHE A 85 -4.783 -2.005 7.191 1.00 4.14 H new ATOM 0 HB2 PHE A 85 -3.256 -0.148 6.984 1.00 62.52 H new ATOM 0 HB3 PHE A 85 -2.076 -0.910 8.033 1.00 62.52 H new ATOM 0 HD1 PHE A 85 -3.748 -1.261 4.692 1.00 73.32 H new ATOM 0 HD2 PHE A 85 -0.455 -2.376 7.173 1.00 74.22 H new ATOM 0 HE1 PHE A 85 -2.653 -2.324 2.768 1.00 71.03 H new ATOM 0 HE2 PHE A 85 0.627 -3.446 5.251 1.00 32.13 H new ATOM 0 HZ PHE A 85 -0.470 -3.420 3.045 1.00 22.10 H new ATOM 540 N THR A 86 -2.553 -3.628 9.008 1.00 35.13 N ATOM 541 CA THR A 86 -2.021 -4.963 9.238 1.00 15.21 C ATOM 542 C THR A 86 -3.086 -5.863 9.863 1.00 31.45 C ATOM 543 O THR A 86 -3.073 -7.085 9.686 1.00 11.34 O ATOM 544 CB THR A 86 -0.681 -4.972 10.049 1.00 11.45 C ATOM 545 OG1 THR A 86 -0.230 -6.318 10.273 1.00 24.31 O ATOM 546 CG2 THR A 86 -0.818 -4.250 11.373 1.00 3.51 C ATOM 0 H THR A 86 -2.163 -2.902 9.609 1.00 35.13 H new ATOM 0 HA THR A 86 -1.758 -5.372 8.263 1.00 15.21 H new ATOM 0 HB THR A 86 0.058 -4.441 9.450 1.00 11.45 H new ATOM 0 HG1 THR A 86 0.609 -6.302 10.780 1.00 24.31 H new ATOM 0 HG21 THR A 86 0.134 -4.280 11.904 1.00 3.51 H new ATOM 0 HG22 THR A 86 -1.102 -3.213 11.194 1.00 3.51 H new ATOM 0 HG23 THR A 86 -1.585 -4.737 11.975 1.00 3.51 H new ATOM 554 N PHE A 87 -4.016 -5.248 10.563 1.00 74.14 N ATOM 555 CA PHE A 87 -5.171 -5.936 11.097 1.00 44.21 C ATOM 556 C PHE A 87 -6.051 -6.432 9.944 1.00 72.22 C ATOM 557 O PHE A 87 -6.314 -7.622 9.822 1.00 12.20 O ATOM 558 CB PHE A 87 -5.953 -5.000 12.050 1.00 75.22 C ATOM 559 CG PHE A 87 -7.415 -5.352 12.186 1.00 42.30 C ATOM 560 CD1 PHE A 87 -7.808 -6.563 12.718 1.00 71.32 C ATOM 561 CD2 PHE A 87 -8.392 -4.472 11.733 1.00 71.41 C ATOM 562 CE1 PHE A 87 -9.147 -6.892 12.803 1.00 12.14 C ATOM 563 CE2 PHE A 87 -9.729 -4.795 11.813 1.00 61.13 C ATOM 564 CZ PHE A 87 -10.108 -6.006 12.351 1.00 23.45 C ATOM 0 H PHE A 87 -3.991 -4.251 10.778 1.00 74.14 H new ATOM 0 HA PHE A 87 -4.850 -6.802 11.676 1.00 44.21 H new ATOM 0 HB2 PHE A 87 -5.488 -5.030 13.036 1.00 75.22 H new ATOM 0 HB3 PHE A 87 -5.868 -3.975 11.688 1.00 75.22 H new ATOM 0 HD1 PHE A 87 -7.062 -7.260 13.071 1.00 71.32 H new ATOM 0 HD2 PHE A 87 -8.098 -3.522 11.312 1.00 71.41 H new ATOM 0 HE1 PHE A 87 -9.444 -7.842 13.223 1.00 12.14 H new ATOM 0 HE2 PHE A 87 -10.477 -4.102 11.456 1.00 61.13 H new ATOM 0 HZ PHE A 87 -11.155 -6.263 12.420 1.00 23.45 H new ATOM 574 N HIS A 88 -6.458 -5.510 9.097 1.00 42.31 N ATOM 575 CA HIS A 88 -7.276 -5.782 7.932 1.00 73.00 C ATOM 576 C HIS A 88 -6.566 -6.755 6.992 1.00 15.33 C ATOM 577 O HIS A 88 -7.194 -7.574 6.360 1.00 10.54 O ATOM 578 CB HIS A 88 -7.655 -4.436 7.255 1.00 24.04 C ATOM 579 CG HIS A 88 -8.168 -4.497 5.847 1.00 71.45 C ATOM 580 ND1 HIS A 88 -9.496 -4.633 5.485 1.00 74.14 N ATOM 581 CD2 HIS A 88 -7.476 -4.392 4.703 1.00 65.53 C ATOM 582 CE1 HIS A 88 -9.570 -4.603 4.155 1.00 20.31 C ATOM 583 NE2 HIS A 88 -8.342 -4.453 3.611 1.00 43.54 N ATOM 0 H HIS A 88 -6.223 -4.523 9.202 1.00 42.31 H new ATOM 0 HA HIS A 88 -8.203 -6.275 8.224 1.00 73.00 H new ATOM 0 HB2 HIS A 88 -8.413 -3.950 7.870 1.00 24.04 H new ATOM 0 HB3 HIS A 88 -6.775 -3.793 7.266 1.00 24.04 H new ATOM 0 HD1 HIS A 88 -10.283 -4.738 6.126 1.00 74.14 H new ATOM 0 HD2 HIS A 88 -6.404 -4.277 4.637 1.00 65.53 H new ATOM 0 HE1 HIS A 88 -10.486 -4.687 3.589 1.00 20.31 H new ATOM 591 N VAL A 89 -5.269 -6.676 6.934 1.00 5.53 N ATOM 592 CA VAL A 89 -4.499 -7.601 6.147 1.00 44.34 C ATOM 593 C VAL A 89 -4.579 -8.973 6.761 1.00 1.32 C ATOM 594 O VAL A 89 -4.987 -9.894 6.118 1.00 31.00 O ATOM 595 CB VAL A 89 -3.028 -7.153 5.987 1.00 12.43 C ATOM 596 CG1 VAL A 89 -2.169 -8.261 5.385 1.00 40.11 C ATOM 597 CG2 VAL A 89 -2.948 -5.926 5.101 1.00 71.45 C ATOM 0 H VAL A 89 -4.716 -5.975 7.426 1.00 5.53 H new ATOM 0 HA VAL A 89 -4.926 -7.626 5.144 1.00 44.34 H new ATOM 0 HB VAL A 89 -2.647 -6.919 6.981 1.00 12.43 H new ATOM 0 HG11 VAL A 89 -1.141 -7.912 5.287 1.00 40.11 H new ATOM 0 HG12 VAL A 89 -2.194 -9.135 6.036 1.00 40.11 H new ATOM 0 HG13 VAL A 89 -2.557 -8.529 4.402 1.00 40.11 H new ATOM 0 HG21 VAL A 89 -1.907 -5.620 4.996 1.00 71.45 H new ATOM 0 HG22 VAL A 89 -3.359 -6.159 4.119 1.00 71.45 H new ATOM 0 HG23 VAL A 89 -3.521 -5.115 5.550 1.00 71.45 H new ATOM 607 N ASP A 90 -4.301 -9.063 8.035 1.00 21.25 N ATOM 608 CA ASP A 90 -4.298 -10.343 8.738 1.00 74.45 C ATOM 609 C ASP A 90 -5.690 -10.969 8.735 1.00 21.20 C ATOM 610 O ASP A 90 -5.849 -12.186 8.709 1.00 24.43 O ATOM 611 CB ASP A 90 -3.816 -10.129 10.173 1.00 24.34 C ATOM 612 CG ASP A 90 -3.746 -11.388 10.991 1.00 1.51 C ATOM 613 OD1 ASP A 90 -2.693 -12.079 10.961 1.00 40.03 O ATOM 614 OD2 ASP A 90 -4.714 -11.703 11.703 1.00 31.20 O ATOM 0 H ASP A 90 -4.070 -8.262 8.623 1.00 21.25 H new ATOM 0 HA ASP A 90 -3.622 -11.027 8.224 1.00 74.45 H new ATOM 0 HB2 ASP A 90 -2.828 -9.669 10.148 1.00 24.34 H new ATOM 0 HB3 ASP A 90 -4.484 -9.424 10.668 1.00 24.34 H new ATOM 619 N SER A 91 -6.678 -10.129 8.712 1.00 42.05 N ATOM 620 CA SER A 91 -8.044 -10.560 8.761 1.00 3.02 C ATOM 621 C SER A 91 -8.588 -10.896 7.369 1.00 23.15 C ATOM 622 O SER A 91 -9.229 -11.936 7.180 1.00 62.12 O ATOM 623 CB SER A 91 -8.906 -9.474 9.423 1.00 60.15 C ATOM 624 OG SER A 91 -10.257 -9.903 9.607 1.00 52.45 O ATOM 0 H SER A 91 -6.560 -9.117 8.658 1.00 42.05 H new ATOM 0 HA SER A 91 -8.087 -11.473 9.354 1.00 3.02 H new ATOM 0 HB2 SER A 91 -8.475 -9.207 10.388 1.00 60.15 H new ATOM 0 HB3 SER A 91 -8.892 -8.574 8.808 1.00 60.15 H new ATOM 0 HG SER A 91 -10.780 -9.689 8.807 1.00 52.45 H new ATOM 630 N GLU A 92 -8.322 -10.050 6.403 1.00 64.23 N ATOM 631 CA GLU A 92 -8.964 -10.205 5.107 1.00 34.02 C ATOM 632 C GLU A 92 -8.056 -10.840 4.075 1.00 31.32 C ATOM 633 O GLU A 92 -8.530 -11.514 3.162 1.00 63.13 O ATOM 634 CB GLU A 92 -9.480 -8.858 4.591 1.00 42.14 C ATOM 635 CG GLU A 92 -10.324 -8.086 5.596 1.00 22.32 C ATOM 636 CD GLU A 92 -11.499 -8.871 6.120 1.00 72.43 C ATOM 637 OE1 GLU A 92 -12.450 -9.112 5.351 1.00 33.14 O ATOM 638 OE2 GLU A 92 -11.506 -9.232 7.324 1.00 4.25 O ATOM 0 H GLU A 92 -7.680 -9.261 6.479 1.00 64.23 H new ATOM 0 HA GLU A 92 -9.805 -10.881 5.259 1.00 34.02 H new ATOM 0 HB2 GLU A 92 -8.628 -8.243 4.300 1.00 42.14 H new ATOM 0 HB3 GLU A 92 -10.072 -9.029 3.692 1.00 42.14 H new ATOM 0 HG2 GLU A 92 -9.694 -7.786 6.434 1.00 22.32 H new ATOM 0 HG3 GLU A 92 -10.688 -7.172 5.127 1.00 22.32 H new ATOM 645 N HIS A 93 -6.758 -10.651 4.209 1.00 62.50 N ATOM 646 CA HIS A 93 -5.819 -11.174 3.244 1.00 74.53 C ATOM 647 C HIS A 93 -4.636 -11.826 3.999 1.00 63.33 C ATOM 648 O HIS A 93 -3.484 -11.443 3.789 1.00 74.34 O ATOM 649 CB HIS A 93 -5.271 -10.025 2.354 1.00 2.45 C ATOM 650 CG HIS A 93 -6.192 -8.814 2.149 1.00 44.34 C ATOM 651 ND1 HIS A 93 -7.318 -8.826 1.372 1.00 43.54 N ATOM 652 CD2 HIS A 93 -6.089 -7.532 2.638 1.00 15.13 C ATOM 653 CE1 HIS A 93 -7.864 -7.614 1.390 1.00 5.44 C ATOM 654 NE2 HIS A 93 -7.150 -6.757 2.156 1.00 74.04 N ATOM 0 H HIS A 93 -6.331 -10.137 4.980 1.00 62.50 H new ATOM 0 HA HIS A 93 -6.323 -11.908 2.615 1.00 74.53 H new ATOM 0 HB2 HIS A 93 -4.337 -9.672 2.791 1.00 2.45 H new ATOM 0 HB3 HIS A 93 -5.029 -10.438 1.375 1.00 2.45 H new ATOM 0 HD1 HIS A 93 -7.679 -9.632 0.863 1.00 43.54 H new ATOM 0 HD2 HIS A 93 -5.308 -7.178 3.294 1.00 15.13 H new ATOM 0 HE1 HIS A 93 -8.766 -7.347 0.859 1.00 5.44 H new ATOM 662 N PRO A 94 -4.908 -12.824 4.888 1.00 44.50 N ATOM 663 CA PRO A 94 -3.869 -13.427 5.740 1.00 24.32 C ATOM 664 C PRO A 94 -2.818 -14.152 4.907 1.00 62.14 C ATOM 665 O PRO A 94 -1.622 -14.120 5.199 1.00 32.04 O ATOM 666 CB PRO A 94 -4.655 -14.423 6.601 1.00 0.41 C ATOM 667 CG PRO A 94 -5.877 -14.720 5.801 1.00 21.34 C ATOM 668 CD PRO A 94 -6.214 -13.461 5.097 1.00 25.02 C ATOM 0 HA PRO A 94 -3.322 -12.686 6.323 1.00 24.32 H new ATOM 0 HB2 PRO A 94 -4.076 -15.326 6.792 1.00 0.41 H new ATOM 0 HB3 PRO A 94 -4.909 -13.996 7.571 1.00 0.41 H new ATOM 0 HG2 PRO A 94 -5.694 -15.527 5.092 1.00 21.34 H new ATOM 0 HG3 PRO A 94 -6.697 -15.040 6.444 1.00 21.34 H new ATOM 0 HD2 PRO A 94 -6.722 -13.653 4.152 1.00 25.02 H new ATOM 0 HD3 PRO A 94 -6.876 -12.833 5.693 1.00 25.02 H new ATOM 676 N ASN A 95 -3.283 -14.795 3.884 1.00 45.31 N ATOM 677 CA ASN A 95 -2.467 -15.472 2.938 1.00 30.41 C ATOM 678 C ASN A 95 -2.952 -15.071 1.599 1.00 40.02 C ATOM 679 O ASN A 95 -4.157 -14.899 1.397 1.00 14.44 O ATOM 680 CB ASN A 95 -2.533 -16.990 3.097 1.00 52.13 C ATOM 681 CG ASN A 95 -1.785 -17.513 4.306 1.00 51.13 C ATOM 682 OD1 ASN A 95 -2.345 -17.634 5.408 1.00 64.54 O ATOM 683 ND2 ASN A 95 -0.532 -17.861 4.115 1.00 21.21 N ATOM 0 H ASN A 95 -4.280 -14.863 3.680 1.00 45.31 H new ATOM 0 HA ASN A 95 -1.422 -15.200 3.087 1.00 30.41 H new ATOM 0 HB2 ASN A 95 -3.578 -17.293 3.169 1.00 52.13 H new ATOM 0 HB3 ASN A 95 -2.127 -17.458 2.200 1.00 52.13 H new ATOM 0 HD21 ASN A 95 0.014 -18.245 4.886 1.00 21.21 H new ATOM 0 HD22 ASN A 95 -0.106 -17.747 3.195 1.00 21.21 H new ATOM 690 N VAL A 96 -2.056 -14.879 0.700 1.00 53.20 N ATOM 691 CA VAL A 96 -2.390 -14.388 -0.592 1.00 63.44 C ATOM 692 C VAL A 96 -1.296 -14.835 -1.578 1.00 72.15 C ATOM 693 O VAL A 96 -0.206 -15.230 -1.143 1.00 23.43 O ATOM 694 CB VAL A 96 -2.622 -12.839 -0.505 1.00 14.04 C ATOM 695 CG1 VAL A 96 -1.435 -12.093 0.071 1.00 53.51 C ATOM 696 CG2 VAL A 96 -3.111 -12.230 -1.801 1.00 13.41 C ATOM 0 H VAL A 96 -1.062 -15.059 0.839 1.00 53.20 H new ATOM 0 HA VAL A 96 -3.325 -14.800 -0.971 1.00 63.44 H new ATOM 0 HB VAL A 96 -3.437 -12.715 0.208 1.00 14.04 H new ATOM 0 HG11 VAL A 96 -1.657 -11.026 0.105 1.00 53.51 H new ATOM 0 HG12 VAL A 96 -1.233 -12.454 1.079 1.00 53.51 H new ATOM 0 HG13 VAL A 96 -0.560 -12.261 -0.557 1.00 53.51 H new ATOM 0 HG21 VAL A 96 -3.250 -11.157 -1.669 1.00 13.41 H new ATOM 0 HG22 VAL A 96 -2.376 -12.407 -2.586 1.00 13.41 H new ATOM 0 HG23 VAL A 96 -4.060 -12.687 -2.083 1.00 13.41 H new ATOM 706 N VAL A 97 -1.597 -14.830 -2.869 1.00 15.13 N ATOM 707 CA VAL A 97 -0.717 -15.427 -3.869 1.00 22.51 C ATOM 708 C VAL A 97 0.355 -14.495 -4.436 1.00 54.50 C ATOM 709 O VAL A 97 0.205 -13.259 -4.480 1.00 52.51 O ATOM 710 CB VAL A 97 -1.500 -16.104 -5.025 1.00 45.11 C ATOM 711 CG1 VAL A 97 -2.335 -17.264 -4.498 1.00 14.14 C ATOM 712 CG2 VAL A 97 -2.382 -15.096 -5.760 1.00 60.30 C ATOM 0 H VAL A 97 -2.448 -14.417 -3.252 1.00 15.13 H new ATOM 0 HA VAL A 97 -0.183 -16.191 -3.304 1.00 22.51 H new ATOM 0 HB VAL A 97 -0.774 -16.495 -5.738 1.00 45.11 H new ATOM 0 HG11 VAL A 97 -2.877 -17.726 -5.323 1.00 14.14 H new ATOM 0 HG12 VAL A 97 -1.681 -18.002 -4.035 1.00 14.14 H new ATOM 0 HG13 VAL A 97 -3.046 -16.894 -3.759 1.00 14.14 H new ATOM 0 HG21 VAL A 97 -2.918 -15.600 -6.564 1.00 60.30 H new ATOM 0 HG22 VAL A 97 -3.099 -14.663 -5.062 1.00 60.30 H new ATOM 0 HG23 VAL A 97 -1.760 -14.305 -6.179 1.00 60.30 H new ATOM 722 N LEU A 98 1.416 -15.135 -4.894 1.00 23.25 N ATOM 723 CA LEU A 98 2.591 -14.514 -5.469 1.00 63.33 C ATOM 724 C LEU A 98 2.306 -13.817 -6.796 1.00 72.40 C ATOM 725 O LEU A 98 1.606 -14.355 -7.669 1.00 4.01 O ATOM 726 CB LEU A 98 3.680 -15.587 -5.659 1.00 21.22 C ATOM 727 CG LEU A 98 4.970 -15.186 -6.393 1.00 34.42 C ATOM 728 CD1 LEU A 98 5.719 -14.103 -5.649 1.00 23.43 C ATOM 729 CD2 LEU A 98 5.855 -16.401 -6.587 1.00 10.23 C ATOM 0 H LEU A 98 1.483 -16.153 -4.873 1.00 23.25 H new ATOM 0 HA LEU A 98 2.928 -13.740 -4.779 1.00 63.33 H new ATOM 0 HB2 LEU A 98 3.959 -15.958 -4.673 1.00 21.22 H new ATOM 0 HB3 LEU A 98 3.235 -16.422 -6.199 1.00 21.22 H new ATOM 0 HG LEU A 98 4.692 -14.785 -7.368 1.00 34.42 H new ATOM 0 HD11 LEU A 98 6.625 -13.845 -6.197 1.00 23.43 H new ATOM 0 HD12 LEU A 98 5.086 -13.220 -5.558 1.00 23.43 H new ATOM 0 HD13 LEU A 98 5.986 -14.462 -4.655 1.00 23.43 H new ATOM 0 HD21 LEU A 98 6.767 -16.108 -7.108 1.00 10.23 H new ATOM 0 HD22 LEU A 98 6.112 -16.823 -5.615 1.00 10.23 H new ATOM 0 HD23 LEU A 98 5.324 -17.147 -7.178 1.00 10.23 H new ATOM 741 N ASN A 99 2.866 -12.635 -6.919 1.00 53.01 N ATOM 742 CA ASN A 99 2.839 -11.802 -8.108 1.00 14.32 C ATOM 743 C ASN A 99 3.771 -10.646 -7.830 1.00 20.04 C ATOM 744 O ASN A 99 4.310 -10.570 -6.728 1.00 4.45 O ATOM 745 CB ASN A 99 1.422 -11.278 -8.490 1.00 53.41 C ATOM 746 CG ASN A 99 0.799 -10.261 -7.527 1.00 41.30 C ATOM 747 OD1 ASN A 99 0.139 -9.325 -7.971 1.00 15.25 O ATOM 748 ND2 ASN A 99 0.922 -10.470 -6.232 1.00 44.24 N ATOM 0 H ASN A 99 3.381 -12.202 -6.153 1.00 53.01 H new ATOM 0 HA ASN A 99 3.149 -12.399 -8.966 1.00 14.32 H new ATOM 0 HB2 ASN A 99 1.479 -10.824 -9.479 1.00 53.41 H new ATOM 0 HB3 ASN A 99 0.750 -12.132 -8.569 1.00 53.41 H new ATOM 0 HD21 ASN A 99 0.462 -9.846 -5.569 1.00 44.24 H new ATOM 0 HD22 ASN A 99 1.477 -11.256 -5.893 1.00 44.24 H new ATOM 755 N SER A 100 3.959 -9.770 -8.774 1.00 73.24 N ATOM 756 CA SER A 100 4.855 -8.648 -8.595 1.00 55.10 C ATOM 757 C SER A 100 4.073 -7.422 -8.114 1.00 52.11 C ATOM 758 O SER A 100 3.070 -7.036 -8.726 1.00 73.41 O ATOM 759 CB SER A 100 5.549 -8.351 -9.918 1.00 43.32 C ATOM 760 OG SER A 100 6.214 -9.516 -10.411 1.00 25.31 O ATOM 0 H SER A 100 3.503 -9.806 -9.686 1.00 73.24 H new ATOM 0 HA SER A 100 5.604 -8.892 -7.842 1.00 55.10 H new ATOM 0 HB2 SER A 100 4.817 -8.007 -10.649 1.00 43.32 H new ATOM 0 HB3 SER A 100 6.269 -7.544 -9.784 1.00 43.32 H new ATOM 0 HG SER A 100 6.653 -9.307 -11.262 1.00 25.31 H new ATOM 766 N SER A 101 4.480 -6.864 -6.985 1.00 11.23 N ATOM 767 CA SER A 101 3.862 -5.705 -6.409 1.00 2.23 C ATOM 768 C SER A 101 4.907 -4.923 -5.619 1.00 74.12 C ATOM 769 O SER A 101 6.035 -5.418 -5.437 1.00 5.50 O ATOM 770 CB SER A 101 2.738 -6.152 -5.501 1.00 2.04 C ATOM 771 OG SER A 101 1.808 -6.942 -6.219 1.00 74.43 O ATOM 0 H SER A 101 5.266 -7.220 -6.441 1.00 11.23 H new ATOM 0 HA SER A 101 3.456 -5.061 -7.189 1.00 2.23 H new ATOM 0 HB2 SER A 101 3.142 -6.724 -4.666 1.00 2.04 H new ATOM 0 HB3 SER A 101 2.236 -5.282 -5.078 1.00 2.04 H new ATOM 0 HG SER A 101 1.870 -7.873 -5.920 1.00 74.43 H new ATOM 777 N TYR A 102 4.546 -3.737 -5.161 1.00 74.23 N ATOM 778 CA TYR A 102 5.447 -2.873 -4.420 1.00 2.22 C ATOM 779 C TYR A 102 4.937 -2.603 -3.015 1.00 64.24 C ATOM 780 O TYR A 102 3.725 -2.437 -2.795 1.00 63.22 O ATOM 781 CB TYR A 102 5.626 -1.550 -5.129 1.00 33.34 C ATOM 782 CG TYR A 102 6.639 -1.486 -6.243 1.00 24.14 C ATOM 783 CD1 TYR A 102 6.709 -2.454 -7.229 1.00 32.24 C ATOM 784 CD2 TYR A 102 7.510 -0.406 -6.316 1.00 21.23 C ATOM 785 CE1 TYR A 102 7.617 -2.361 -8.258 1.00 33.02 C ATOM 786 CE2 TYR A 102 8.432 -0.307 -7.342 1.00 54.12 C ATOM 787 CZ TYR A 102 8.477 -1.290 -8.311 1.00 3.33 C ATOM 788 OH TYR A 102 9.381 -1.200 -9.346 1.00 71.13 O ATOM 0 H TYR A 102 3.614 -3.344 -5.294 1.00 74.23 H new ATOM 0 HA TYR A 102 6.402 -3.395 -4.358 1.00 2.22 H new ATOM 0 HB2 TYR A 102 4.659 -1.254 -5.537 1.00 33.34 H new ATOM 0 HB3 TYR A 102 5.899 -0.804 -4.383 1.00 33.34 H new ATOM 0 HD1 TYR A 102 6.038 -3.299 -7.190 1.00 32.24 H new ATOM 0 HD2 TYR A 102 7.466 0.366 -5.562 1.00 21.23 H new ATOM 0 HE1 TYR A 102 7.654 -3.125 -9.020 1.00 33.02 H new ATOM 0 HE2 TYR A 102 9.111 0.532 -7.385 1.00 54.12 H new ATOM 0 HH TYR A 102 9.917 -0.386 -9.242 1.00 71.13 H new ATOM 798 N VAL A 103 5.856 -2.553 -2.081 1.00 23.10 N ATOM 799 CA VAL A 103 5.555 -2.293 -0.696 1.00 42.34 C ATOM 800 C VAL A 103 6.503 -1.211 -0.167 1.00 5.12 C ATOM 801 O VAL A 103 7.673 -1.179 -0.505 1.00 13.22 O ATOM 802 CB VAL A 103 5.687 -3.614 0.163 1.00 60.30 C ATOM 803 CG1 VAL A 103 7.057 -4.121 0.163 1.00 53.02 C ATOM 804 CG2 VAL A 103 5.272 -3.458 1.587 1.00 4.43 C ATOM 0 H VAL A 103 6.849 -2.694 -2.266 1.00 23.10 H new ATOM 0 HA VAL A 103 4.526 -1.943 -0.614 1.00 42.34 H new ATOM 0 HB VAL A 103 5.007 -4.314 -0.323 1.00 60.30 H new ATOM 0 HG11 VAL A 103 7.109 -5.029 0.763 1.00 53.02 H new ATOM 0 HG12 VAL A 103 7.362 -4.344 -0.859 1.00 53.02 H new ATOM 0 HG13 VAL A 103 7.723 -3.369 0.585 1.00 53.02 H new ATOM 0 HG21 VAL A 103 5.392 -4.408 2.107 1.00 4.43 H new ATOM 0 HG22 VAL A 103 5.893 -2.701 2.066 1.00 4.43 H new ATOM 0 HG23 VAL A 103 4.227 -3.151 1.630 1.00 4.43 H new ATOM 814 N CYS A 104 5.990 -0.315 0.609 1.00 44.21 N ATOM 815 CA CYS A 104 6.823 0.676 1.259 1.00 13.50 C ATOM 816 C CYS A 104 7.343 0.006 2.464 1.00 14.14 C ATOM 817 O CYS A 104 6.599 -0.179 3.360 1.00 52.25 O ATOM 818 CB CYS A 104 5.959 1.901 1.663 1.00 75.55 C ATOM 819 SG CYS A 104 6.734 3.239 2.742 1.00 23.35 S ATOM 0 H CYS A 104 4.994 -0.238 0.817 1.00 44.21 H new ATOM 0 HA CYS A 104 7.623 1.035 0.612 1.00 13.50 H new ATOM 0 HB2 CYS A 104 5.610 2.376 0.746 1.00 75.55 H new ATOM 0 HB3 CYS A 104 5.077 1.527 2.183 1.00 75.55 H new ATOM 0 HG CYS A 104 5.796 3.965 3.274 1.00 23.35 H new ATOM 824 N VAL A 105 8.589 -0.431 2.457 1.00 12.20 N ATOM 825 CA VAL A 105 9.190 -1.125 3.611 1.00 73.21 C ATOM 826 C VAL A 105 9.074 -0.280 4.860 1.00 64.41 C ATOM 827 O VAL A 105 8.836 -0.793 5.940 1.00 33.43 O ATOM 828 CB VAL A 105 10.680 -1.433 3.407 1.00 73.24 C ATOM 829 CG1 VAL A 105 10.971 -2.849 3.691 1.00 33.33 C ATOM 830 CG2 VAL A 105 11.146 -1.091 2.039 1.00 63.42 C ATOM 0 H VAL A 105 9.220 -0.322 1.663 1.00 12.20 H new ATOM 0 HA VAL A 105 8.641 -2.061 3.712 1.00 73.21 H new ATOM 0 HB VAL A 105 11.224 -0.805 4.112 1.00 73.24 H new ATOM 0 HG11 VAL A 105 12.033 -3.040 3.539 1.00 33.33 H new ATOM 0 HG12 VAL A 105 10.706 -3.075 4.724 1.00 33.33 H new ATOM 0 HG13 VAL A 105 10.389 -3.482 3.021 1.00 33.33 H new ATOM 0 HG21 VAL A 105 12.206 -1.328 1.946 1.00 63.42 H new ATOM 0 HG22 VAL A 105 10.580 -1.667 1.307 1.00 63.42 H new ATOM 0 HG23 VAL A 105 10.995 -0.027 1.858 1.00 63.42 H new ATOM 840 N GLU A 106 9.163 1.027 4.660 1.00 62.52 N ATOM 841 CA GLU A 106 9.116 2.020 5.730 1.00 65.45 C ATOM 842 C GLU A 106 7.809 1.918 6.501 1.00 55.03 C ATOM 843 O GLU A 106 7.751 2.142 7.708 1.00 44.33 O ATOM 844 CB GLU A 106 9.234 3.422 5.134 1.00 35.43 C ATOM 845 CG GLU A 106 10.388 3.598 4.153 1.00 32.20 C ATOM 846 CD GLU A 106 11.762 3.492 4.781 1.00 71.43 C ATOM 847 OE1 GLU A 106 11.958 2.672 5.694 1.00 42.21 O ATOM 848 OE2 GLU A 106 12.659 4.227 4.350 1.00 34.34 O ATOM 0 H GLU A 106 9.272 1.437 3.733 1.00 62.52 H new ATOM 0 HA GLU A 106 9.946 1.831 6.411 1.00 65.45 H new ATOM 0 HB2 GLU A 106 8.301 3.666 4.626 1.00 35.43 H new ATOM 0 HB3 GLU A 106 9.352 4.139 5.946 1.00 35.43 H new ATOM 0 HG2 GLU A 106 10.301 2.846 3.369 1.00 32.20 H new ATOM 0 HG3 GLU A 106 10.295 4.572 3.672 1.00 32.20 H new ATOM 855 N CYS A 107 6.763 1.605 5.791 1.00 65.33 N ATOM 856 CA CYS A 107 5.449 1.454 6.422 1.00 22.12 C ATOM 857 C CYS A 107 5.105 -0.010 6.545 1.00 72.45 C ATOM 858 O CYS A 107 4.420 -0.442 7.456 1.00 40.42 O ATOM 859 CB CYS A 107 4.424 2.119 5.533 1.00 71.41 C ATOM 860 SG CYS A 107 4.876 3.825 5.062 1.00 33.50 S ATOM 0 H CYS A 107 6.776 1.447 4.783 1.00 65.33 H new ATOM 0 HA CYS A 107 5.459 1.906 7.414 1.00 22.12 H new ATOM 0 HB2 CYS A 107 4.294 1.522 4.630 1.00 71.41 H new ATOM 0 HB3 CYS A 107 3.463 2.134 6.046 1.00 71.41 H new ATOM 0 HG CYS A 107 6.112 3.851 4.659 1.00 33.50 H new ATOM 865 N ASN A 108 5.702 -0.730 5.675 1.00 42.03 N ATOM 866 CA ASN A 108 5.415 -2.083 5.348 1.00 55.24 C ATOM 867 C ASN A 108 3.994 -2.215 4.914 1.00 11.22 C ATOM 868 O ASN A 108 3.135 -2.720 5.629 1.00 53.42 O ATOM 869 CB ASN A 108 5.803 -3.049 6.401 1.00 12.40 C ATOM 870 CG ASN A 108 6.216 -4.305 5.818 1.00 74.14 C ATOM 871 OD1 ASN A 108 5.438 -5.238 5.644 1.00 32.14 O ATOM 872 ND2 ASN A 108 7.405 -4.319 5.420 1.00 55.22 N ATOM 0 H ASN A 108 6.474 -0.360 5.121 1.00 42.03 H new ATOM 0 HA ASN A 108 6.049 -2.357 4.505 1.00 55.24 H new ATOM 0 HB2 ASN A 108 6.616 -2.636 6.999 1.00 12.40 H new ATOM 0 HB3 ASN A 108 4.963 -3.215 7.076 1.00 12.40 H new ATOM 0 HD21 ASN A 108 7.768 -5.134 4.925 1.00 55.22 H new ATOM 0 HD22 ASN A 108 8.010 -3.516 5.591 1.00 55.22 H new ATOM 879 N PHE A 109 3.739 -1.684 3.741 1.00 5.40 N ATOM 880 CA PHE A 109 2.408 -1.691 3.209 1.00 45.20 C ATOM 881 C PHE A 109 2.443 -1.991 1.718 1.00 63.31 C ATOM 882 O PHE A 109 3.180 -1.333 0.962 1.00 1.30 O ATOM 883 CB PHE A 109 1.632 -0.370 3.511 1.00 72.41 C ATOM 884 CG PHE A 109 1.520 0.644 2.376 1.00 44.24 C ATOM 885 CD1 PHE A 109 2.470 1.627 2.186 1.00 51.52 C ATOM 886 CD2 PHE A 109 0.436 0.602 1.518 1.00 30.50 C ATOM 887 CE1 PHE A 109 2.339 2.559 1.149 1.00 32.34 C ATOM 888 CE2 PHE A 109 0.302 1.525 0.492 1.00 42.25 C ATOM 889 CZ PHE A 109 1.253 2.503 0.310 1.00 12.32 C ATOM 0 H PHE A 109 4.438 -1.244 3.142 1.00 5.40 H new ATOM 0 HA PHE A 109 1.856 -2.484 3.713 1.00 45.20 H new ATOM 0 HB2 PHE A 109 0.624 -0.635 3.829 1.00 72.41 H new ATOM 0 HB3 PHE A 109 2.114 0.120 4.357 1.00 72.41 H new ATOM 0 HD1 PHE A 109 3.324 1.678 2.845 1.00 51.52 H new ATOM 0 HD2 PHE A 109 -0.317 -0.161 1.649 1.00 30.50 H new ATOM 0 HE1 PHE A 109 3.091 3.321 1.009 1.00 32.34 H new ATOM 0 HE2 PHE A 109 -0.552 1.476 -0.167 1.00 42.25 H new ATOM 0 HZ PHE A 109 1.146 3.223 -0.488 1.00 12.32 H new ATOM 899 N LEU A 110 1.704 -2.987 1.314 1.00 52.53 N ATOM 900 CA LEU A 110 1.638 -3.387 -0.076 1.00 20.54 C ATOM 901 C LEU A 110 0.480 -2.724 -0.697 1.00 5.01 C ATOM 902 O LEU A 110 -0.604 -2.712 -0.110 1.00 41.11 O ATOM 903 CB LEU A 110 1.463 -4.894 -0.222 1.00 43.31 C ATOM 904 CG LEU A 110 2.711 -5.713 -0.483 1.00 4.33 C ATOM 905 CD1 LEU A 110 2.354 -7.162 -0.394 1.00 20.44 C ATOM 906 CD2 LEU A 110 3.245 -5.425 -1.881 1.00 52.43 C ATOM 0 H LEU A 110 1.126 -3.550 1.937 1.00 52.53 H new ATOM 0 HA LEU A 110 2.572 -3.101 -0.559 1.00 20.54 H new ATOM 0 HB2 LEU A 110 0.996 -5.270 0.689 1.00 43.31 H new ATOM 0 HB3 LEU A 110 0.763 -5.076 -1.037 1.00 43.31 H new ATOM 0 HG LEU A 110 3.474 -5.456 0.252 1.00 4.33 H new ATOM 0 HD11 LEU A 110 3.241 -7.767 -0.579 1.00 20.44 H new ATOM 0 HD12 LEU A 110 1.967 -7.381 0.601 1.00 20.44 H new ATOM 0 HD13 LEU A 110 1.593 -7.396 -1.139 1.00 20.44 H new ATOM 0 HD21 LEU A 110 4.142 -6.019 -2.057 1.00 52.43 H new ATOM 0 HD22 LEU A 110 2.487 -5.684 -2.620 1.00 52.43 H new ATOM 0 HD23 LEU A 110 3.489 -4.366 -1.966 1.00 52.43 H new ATOM 918 N THR A 111 0.673 -2.205 -1.852 1.00 31.52 N ATOM 919 CA THR A 111 -0.366 -1.518 -2.522 1.00 61.21 C ATOM 920 C THR A 111 -0.603 -2.086 -3.904 1.00 31.54 C ATOM 921 O THR A 111 0.263 -2.749 -4.484 1.00 55.40 O ATOM 922 CB THR A 111 -0.100 -0.004 -2.539 1.00 72.42 C ATOM 923 OG1 THR A 111 -1.043 0.704 -3.366 1.00 23.41 O ATOM 924 CG2 THR A 111 1.335 0.307 -2.926 1.00 4.44 C ATOM 0 H THR A 111 1.556 -2.244 -2.360 1.00 31.52 H new ATOM 0 HA THR A 111 -1.291 -1.670 -1.966 1.00 61.21 H new ATOM 0 HB THR A 111 -0.246 0.355 -1.520 1.00 72.42 H new ATOM 0 HG1 THR A 111 -1.175 1.608 -3.011 1.00 23.41 H new ATOM 0 HG21 THR A 111 1.486 1.387 -2.927 1.00 4.44 H new ATOM 0 HG22 THR A 111 2.013 -0.153 -2.208 1.00 4.44 H new ATOM 0 HG23 THR A 111 1.537 -0.089 -3.921 1.00 4.44 H new ATOM 932 N LYS A 112 -1.805 -1.869 -4.390 1.00 51.13 N ATOM 933 CA LYS A 112 -2.253 -2.355 -5.668 1.00 35.33 C ATOM 934 C LYS A 112 -1.723 -1.449 -6.789 1.00 40.24 C ATOM 935 O LYS A 112 -1.848 -1.759 -7.987 1.00 31.41 O ATOM 936 CB LYS A 112 -3.796 -2.381 -5.660 1.00 32.11 C ATOM 937 CG LYS A 112 -4.437 -2.995 -6.891 1.00 71.21 C ATOM 938 CD LYS A 112 -5.959 -2.906 -6.853 1.00 72.51 C ATOM 939 CE LYS A 112 -6.588 -3.756 -5.743 1.00 52.33 C ATOM 940 NZ LYS A 112 -6.294 -5.209 -5.895 1.00 65.41 N ATOM 0 H LYS A 112 -2.515 -1.334 -3.890 1.00 51.13 H new ATOM 0 HA LYS A 112 -1.874 -3.361 -5.848 1.00 35.33 H new ATOM 0 HB2 LYS A 112 -4.130 -2.934 -4.782 1.00 32.11 H new ATOM 0 HB3 LYS A 112 -4.160 -1.359 -5.551 1.00 32.11 H new ATOM 0 HG2 LYS A 112 -4.067 -2.488 -7.782 1.00 71.21 H new ATOM 0 HG3 LYS A 112 -4.138 -4.040 -6.971 1.00 71.21 H new ATOM 0 HD2 LYS A 112 -6.252 -1.865 -6.714 1.00 72.51 H new ATOM 0 HD3 LYS A 112 -6.359 -3.224 -7.816 1.00 72.51 H new ATOM 0 HE2 LYS A 112 -6.219 -3.414 -4.776 1.00 52.33 H new ATOM 0 HE3 LYS A 112 -7.668 -3.606 -5.744 1.00 52.33 H new ATOM 0 HZ1 LYS A 112 -7.164 -5.757 -5.740 1.00 65.41 H new ATOM 0 HZ2 LYS A 112 -5.936 -5.392 -6.854 1.00 65.41 H new ATOM 0 HZ3 LYS A 112 -5.577 -5.493 -5.197 1.00 65.41 H new ATOM 954 N ARG A 113 -1.120 -0.347 -6.410 1.00 63.30 N ATOM 955 CA ARG A 113 -0.602 0.583 -7.367 1.00 11.02 C ATOM 956 C ARG A 113 0.825 0.998 -7.046 1.00 34.22 C ATOM 957 O ARG A 113 1.119 1.493 -5.961 1.00 20.33 O ATOM 958 CB ARG A 113 -1.507 1.798 -7.495 1.00 3.34 C ATOM 959 CG ARG A 113 -1.764 2.544 -6.198 1.00 51.21 C ATOM 960 CD ARG A 113 -2.562 3.799 -6.445 1.00 13.35 C ATOM 961 NE ARG A 113 -3.790 3.544 -7.218 1.00 11.11 N ATOM 962 CZ ARG A 113 -4.053 4.069 -8.439 1.00 13.02 C ATOM 963 NH1 ARG A 113 -3.141 4.786 -9.078 1.00 11.23 N ATOM 964 NH2 ARG A 113 -5.219 3.847 -9.012 1.00 24.13 N ATOM 0 H ARG A 113 -0.979 -0.077 -5.436 1.00 63.30 H new ATOM 0 HA ARG A 113 -0.580 0.072 -8.329 1.00 11.02 H new ATOM 0 HB2 ARG A 113 -1.064 2.489 -8.213 1.00 3.34 H new ATOM 0 HB3 ARG A 113 -2.463 1.478 -7.909 1.00 3.34 H new ATOM 0 HG2 ARG A 113 -2.301 1.898 -5.503 1.00 51.21 H new ATOM 0 HG3 ARG A 113 -0.815 2.799 -5.727 1.00 51.21 H new ATOM 0 HD2 ARG A 113 -2.826 4.252 -5.489 1.00 13.35 H new ATOM 0 HD3 ARG A 113 -1.943 4.520 -6.979 1.00 13.35 H new ATOM 0 HE ARG A 113 -4.491 2.929 -6.805 1.00 11.11 H new ATOM 0 HH11 ARG A 113 -2.229 4.948 -8.651 1.00 11.23 H new ATOM 0 HH12 ARG A 113 -3.351 5.176 -9.997 1.00 11.23 H new ATOM 0 HH21 ARG A 113 -5.921 3.281 -8.536 1.00 24.13 H new ATOM 0 HH22 ARG A 113 -5.419 4.241 -9.931 1.00 24.13 H new ATOM 978 N TYR A 114 1.698 0.803 -8.013 1.00 12.42 N ATOM 979 CA TYR A 114 3.119 1.164 -7.910 1.00 23.42 C ATOM 980 C TYR A 114 3.331 2.671 -7.648 1.00 44.25 C ATOM 981 O TYR A 114 4.335 3.084 -7.069 1.00 41.15 O ATOM 982 CB TYR A 114 3.873 0.713 -9.178 1.00 22.10 C ATOM 983 CG TYR A 114 3.209 1.132 -10.482 1.00 44.35 C ATOM 984 CD1 TYR A 114 3.309 2.431 -10.961 1.00 51.12 C ATOM 985 CD2 TYR A 114 2.481 0.224 -11.229 1.00 20.42 C ATOM 986 CE1 TYR A 114 2.702 2.809 -12.131 1.00 31.03 C ATOM 987 CE2 TYR A 114 1.873 0.595 -12.404 1.00 75.12 C ATOM 988 CZ TYR A 114 1.985 1.887 -12.850 1.00 42.24 C ATOM 989 OH TYR A 114 1.363 2.264 -14.021 1.00 11.43 O ATOM 0 H TYR A 114 1.449 0.384 -8.909 1.00 12.42 H new ATOM 0 HA TYR A 114 3.527 0.640 -7.046 1.00 23.42 H new ATOM 0 HB2 TYR A 114 4.883 1.121 -9.151 1.00 22.10 H new ATOM 0 HB3 TYR A 114 3.967 -0.373 -9.164 1.00 22.10 H new ATOM 0 HD1 TYR A 114 3.877 3.159 -10.401 1.00 51.12 H new ATOM 0 HD2 TYR A 114 2.389 -0.795 -10.883 1.00 20.42 H new ATOM 0 HE1 TYR A 114 2.788 3.826 -12.484 1.00 31.03 H new ATOM 0 HE2 TYR A 114 1.309 -0.128 -12.974 1.00 75.12 H new ATOM 0 HH TYR A 114 0.899 1.493 -14.408 1.00 11.43 H new ATOM 999 N ASP A 115 2.371 3.471 -8.048 1.00 33.22 N ATOM 1000 CA ASP A 115 2.447 4.911 -7.885 1.00 63.25 C ATOM 1001 C ASP A 115 2.267 5.343 -6.459 1.00 35.25 C ATOM 1002 O ASP A 115 2.829 6.344 -6.058 1.00 61.31 O ATOM 1003 CB ASP A 115 1.482 5.642 -8.802 1.00 3.40 C ATOM 1004 CG ASP A 115 0.066 5.151 -8.717 1.00 2.24 C ATOM 1005 OD1 ASP A 115 -0.196 4.014 -9.143 1.00 51.42 O ATOM 1006 OD2 ASP A 115 -0.810 5.879 -8.224 1.00 75.32 O ATOM 0 H ASP A 115 1.514 3.146 -8.496 1.00 33.22 H new ATOM 0 HA ASP A 115 3.459 5.191 -8.178 1.00 63.25 H new ATOM 0 HB2 ASP A 115 1.502 6.705 -8.560 1.00 3.40 H new ATOM 0 HB3 ASP A 115 1.829 5.543 -9.831 1.00 3.40 H new ATOM 1011 N ALA A 116 1.546 4.561 -5.670 1.00 53.10 N ATOM 1012 CA ALA A 116 1.344 4.861 -4.249 1.00 41.13 C ATOM 1013 C ALA A 116 2.678 4.945 -3.501 1.00 32.43 C ATOM 1014 O ALA A 116 2.778 5.611 -2.481 1.00 40.13 O ATOM 1015 CB ALA A 116 0.447 3.819 -3.612 1.00 50.04 C ATOM 0 H ALA A 116 1.086 3.707 -5.986 1.00 53.10 H new ATOM 0 HA ALA A 116 0.859 5.835 -4.179 1.00 41.13 H new ATOM 0 HB1 ALA A 116 0.307 4.056 -2.557 1.00 50.04 H new ATOM 0 HB2 ALA A 116 -0.520 3.815 -4.115 1.00 50.04 H new ATOM 0 HB3 ALA A 116 0.908 2.836 -3.705 1.00 50.04 H new ATOM 1021 N LEU A 117 3.686 4.264 -4.017 1.00 41.05 N ATOM 1022 CA LEU A 117 5.034 4.272 -3.436 1.00 21.43 C ATOM 1023 C LEU A 117 5.820 5.477 -3.889 1.00 34.05 C ATOM 1024 O LEU A 117 6.664 5.990 -3.173 1.00 42.12 O ATOM 1025 CB LEU A 117 5.822 3.030 -3.818 1.00 34.13 C ATOM 1026 CG LEU A 117 5.211 1.682 -3.465 1.00 71.34 C ATOM 1027 CD1 LEU A 117 4.664 1.666 -2.053 1.00 64.40 C ATOM 1028 CD2 LEU A 117 4.163 1.286 -4.466 1.00 71.10 C ATOM 0 H LEU A 117 3.601 3.686 -4.853 1.00 41.05 H new ATOM 0 HA LEU A 117 4.896 4.299 -2.355 1.00 21.43 H new ATOM 0 HB2 LEU A 117 5.988 3.054 -4.895 1.00 34.13 H new ATOM 0 HB3 LEU A 117 6.801 3.092 -3.343 1.00 34.13 H new ATOM 0 HG LEU A 117 6.008 0.940 -3.506 1.00 71.34 H new ATOM 0 HD11 LEU A 117 4.236 0.686 -1.840 1.00 64.40 H new ATOM 0 HD12 LEU A 117 5.470 1.872 -1.348 1.00 64.40 H new ATOM 0 HD13 LEU A 117 3.891 2.429 -1.953 1.00 64.40 H new ATOM 0 HD21 LEU A 117 3.743 0.319 -4.190 1.00 71.10 H new ATOM 0 HD22 LEU A 117 3.371 2.035 -4.480 1.00 71.10 H new ATOM 0 HD23 LEU A 117 4.613 1.216 -5.456 1.00 71.10 H new ATOM 1040 N SER A 118 5.531 5.907 -5.066 1.00 2.34 N ATOM 1041 CA SER A 118 6.202 7.027 -5.686 1.00 74.10 C ATOM 1042 C SER A 118 5.734 8.340 -5.109 1.00 63.24 C ATOM 1043 O SER A 118 6.527 9.230 -4.842 1.00 20.14 O ATOM 1044 CB SER A 118 5.907 6.979 -7.152 1.00 20.52 C ATOM 1045 OG SER A 118 6.641 5.955 -7.811 1.00 74.40 O ATOM 0 H SER A 118 4.806 5.489 -5.650 1.00 2.34 H new ATOM 0 HA SER A 118 7.274 6.957 -5.500 1.00 74.10 H new ATOM 0 HB2 SER A 118 4.840 6.814 -7.302 1.00 20.52 H new ATOM 0 HB3 SER A 118 6.146 7.943 -7.601 1.00 20.52 H new ATOM 0 HG SER A 118 6.419 5.956 -8.765 1.00 74.40 H new ATOM 1051 N GLU A 119 4.451 8.464 -4.950 1.00 20.03 N ATOM 1052 CA GLU A 119 3.891 9.649 -4.350 1.00 62.52 C ATOM 1053 C GLU A 119 4.079 9.597 -2.844 1.00 40.44 C ATOM 1054 O GLU A 119 3.916 10.587 -2.160 1.00 70.31 O ATOM 1055 CB GLU A 119 2.427 9.831 -4.651 1.00 33.11 C ATOM 1056 CG GLU A 119 1.932 9.161 -5.904 1.00 43.22 C ATOM 1057 CD GLU A 119 0.553 9.634 -6.304 1.00 42.41 C ATOM 1058 OE1 GLU A 119 -0.325 9.749 -5.435 1.00 12.11 O ATOM 1059 OE2 GLU A 119 0.309 9.879 -7.509 1.00 32.24 O ATOM 0 H GLU A 119 3.766 7.760 -5.226 1.00 20.03 H new ATOM 0 HA GLU A 119 4.421 10.497 -4.783 1.00 62.52 H new ATOM 0 HB2 GLU A 119 1.851 9.453 -3.806 1.00 33.11 H new ATOM 0 HB3 GLU A 119 2.220 10.899 -4.725 1.00 33.11 H new ATOM 0 HG2 GLU A 119 2.630 9.357 -6.718 1.00 43.22 H new ATOM 0 HG3 GLU A 119 1.913 8.082 -5.753 1.00 43.22 H new ATOM 1066 N HIS A 120 4.315 8.410 -2.342 1.00 21.35 N ATOM 1067 CA HIS A 120 4.463 8.163 -0.919 1.00 1.23 C ATOM 1068 C HIS A 120 5.435 9.162 -0.253 1.00 14.42 C ATOM 1069 O HIS A 120 5.059 9.862 0.588 1.00 74.00 O ATOM 1070 CB HIS A 120 4.923 6.754 -0.708 1.00 71.41 C ATOM 1071 CG HIS A 120 4.642 6.209 0.610 1.00 53.51 C ATOM 1072 ND1 HIS A 120 3.392 5.842 1.046 1.00 41.35 N ATOM 1073 CD2 HIS A 120 5.463 5.970 1.588 1.00 44.10 C ATOM 1074 CE1 HIS A 120 3.505 5.397 2.285 1.00 3.40 C ATOM 1075 NE2 HIS A 120 4.776 5.450 2.677 1.00 31.11 N ATOM 0 H HIS A 120 4.412 7.572 -2.915 1.00 21.35 H new ATOM 0 HA HIS A 120 3.492 8.308 -0.444 1.00 1.23 H new ATOM 0 HB2 HIS A 120 4.451 6.117 -1.456 1.00 71.41 H new ATOM 0 HB3 HIS A 120 5.998 6.708 -0.882 1.00 71.41 H new ATOM 0 HD1 HIS A 120 2.528 5.902 0.507 1.00 41.35 H new ATOM 0 HD2 HIS A 120 6.527 6.150 1.558 1.00 44.10 H new ATOM 0 HE1 HIS A 120 2.685 5.042 2.892 1.00 3.40 H new ATOM 1083 N ASN A 121 6.640 9.236 -0.681 1.00 42.02 N ATOM 1084 CA ASN A 121 7.641 10.213 -0.150 1.00 74.41 C ATOM 1085 C ASN A 121 7.305 11.643 -0.545 1.00 61.54 C ATOM 1086 O ASN A 121 7.869 12.601 -0.041 1.00 51.11 O ATOM 1087 CB ASN A 121 9.056 9.842 -0.546 1.00 54.40 C ATOM 1088 CG ASN A 121 9.271 9.690 -2.023 1.00 14.42 C ATOM 1089 OD1 ASN A 121 8.377 9.360 -2.780 1.00 42.10 O ATOM 1090 ND2 ASN A 121 10.455 9.851 -2.428 1.00 22.55 N ATOM 0 H ASN A 121 7.008 8.633 -1.417 1.00 42.02 H new ATOM 0 HA ASN A 121 7.587 10.161 0.937 1.00 74.41 H new ATOM 0 HB2 ASN A 121 9.737 10.606 -0.170 1.00 54.40 H new ATOM 0 HB3 ASN A 121 9.323 8.906 -0.055 1.00 54.40 H new ATOM 0 HD21 ASN A 121 10.682 9.704 -3.412 1.00 22.55 H new ATOM 0 HD22 ASN A 121 11.185 10.128 -1.772 1.00 22.55 H new ATOM 1097 N LEU A 122 6.462 11.773 -1.496 1.00 74.43 N ATOM 1098 CA LEU A 122 6.026 13.049 -1.944 1.00 21.55 C ATOM 1099 C LEU A 122 5.058 13.643 -0.901 1.00 64.11 C ATOM 1100 O LEU A 122 5.250 14.757 -0.414 1.00 64.10 O ATOM 1101 CB LEU A 122 5.389 12.883 -3.348 1.00 41.41 C ATOM 1102 CG LEU A 122 4.406 13.939 -3.841 1.00 13.12 C ATOM 1103 CD1 LEU A 122 5.036 15.322 -3.860 1.00 11.40 C ATOM 1104 CD2 LEU A 122 3.909 13.576 -5.233 1.00 21.21 C ATOM 0 H LEU A 122 6.046 10.988 -1.997 1.00 74.43 H new ATOM 0 HA LEU A 122 6.854 13.751 -2.042 1.00 21.55 H new ATOM 0 HB2 LEU A 122 6.201 12.824 -4.073 1.00 41.41 H new ATOM 0 HB3 LEU A 122 4.876 11.922 -3.365 1.00 41.41 H new ATOM 0 HG LEU A 122 3.565 13.963 -3.148 1.00 13.12 H new ATOM 0 HD11 LEU A 122 4.307 16.049 -4.217 1.00 11.40 H new ATOM 0 HD12 LEU A 122 5.354 15.591 -2.853 1.00 11.40 H new ATOM 0 HD13 LEU A 122 5.900 15.319 -4.524 1.00 11.40 H new ATOM 0 HD21 LEU A 122 3.207 14.335 -5.578 1.00 21.21 H new ATOM 0 HD22 LEU A 122 4.754 13.524 -5.919 1.00 21.21 H new ATOM 0 HD23 LEU A 122 3.409 12.608 -5.200 1.00 21.21 H new ATOM 1116 N LYS A 123 4.042 12.893 -0.566 1.00 13.40 N ATOM 1117 CA LYS A 123 3.016 13.351 0.362 1.00 53.21 C ATOM 1118 C LYS A 123 3.041 12.681 1.738 1.00 75.13 C ATOM 1119 O LYS A 123 2.874 13.327 2.765 1.00 44.54 O ATOM 1120 CB LYS A 123 1.637 13.313 -0.297 1.00 74.30 C ATOM 1121 CG LYS A 123 1.506 12.315 -1.439 1.00 35.15 C ATOM 1122 CD LYS A 123 0.201 12.499 -2.209 1.00 62.41 C ATOM 1123 CE LYS A 123 -1.039 12.350 -1.324 1.00 24.32 C ATOM 1124 NZ LYS A 123 -2.290 12.504 -2.085 1.00 43.20 N ATOM 0 H LYS A 123 3.893 11.949 -0.922 1.00 13.40 H new ATOM 0 HA LYS A 123 3.259 14.389 0.588 1.00 53.21 H new ATOM 0 HB2 LYS A 123 0.893 13.075 0.463 1.00 74.30 H new ATOM 0 HB3 LYS A 123 1.401 14.308 -0.673 1.00 74.30 H new ATOM 0 HG2 LYS A 123 2.349 12.430 -2.120 1.00 35.15 H new ATOM 0 HG3 LYS A 123 1.553 11.301 -1.042 1.00 35.15 H new ATOM 0 HD2 LYS A 123 0.194 13.486 -2.672 1.00 62.41 H new ATOM 0 HD3 LYS A 123 0.155 11.768 -3.016 1.00 62.41 H new ATOM 0 HE2 LYS A 123 -1.026 11.371 -0.845 1.00 24.32 H new ATOM 0 HE3 LYS A 123 -1.006 13.094 -0.528 1.00 24.32 H new ATOM 0 HZ1 LYS A 123 -3.038 11.933 -1.643 1.00 43.20 H new ATOM 0 HZ2 LYS A 123 -2.574 13.504 -2.087 1.00 43.20 H new ATOM 0 HZ3 LYS A 123 -2.143 12.184 -3.064 1.00 43.20 H new ATOM 1138 N TYR A 124 3.259 11.400 1.727 1.00 24.21 N ATOM 1139 CA TYR A 124 3.204 10.543 2.936 1.00 54.04 C ATOM 1140 C TYR A 124 4.466 10.675 3.743 1.00 54.11 C ATOM 1141 O TYR A 124 4.409 10.919 4.940 1.00 13.32 O ATOM 1142 CB TYR A 124 3.018 9.068 2.558 1.00 41.14 C ATOM 1143 CG TYR A 124 1.731 8.735 1.855 1.00 14.13 C ATOM 1144 CD1 TYR A 124 1.316 9.457 0.765 1.00 52.10 C ATOM 1145 CD2 TYR A 124 0.949 7.685 2.271 1.00 32.42 C ATOM 1146 CE1 TYR A 124 0.177 9.172 0.123 1.00 53.13 C ATOM 1147 CE2 TYR A 124 -0.206 7.383 1.616 1.00 33.21 C ATOM 1148 CZ TYR A 124 -0.583 8.145 0.541 1.00 72.21 C ATOM 1149 OH TYR A 124 -1.727 7.885 -0.101 1.00 11.20 O ATOM 0 H TYR A 124 3.486 10.885 0.876 1.00 24.21 H new ATOM 0 HA TYR A 124 2.352 10.877 3.528 1.00 54.04 H new ATOM 0 HB2 TYR A 124 3.848 8.768 1.919 1.00 41.14 H new ATOM 0 HB3 TYR A 124 3.081 8.468 3.466 1.00 41.14 H new ATOM 0 HD1 TYR A 124 1.925 10.278 0.416 1.00 52.10 H new ATOM 0 HD2 TYR A 124 1.252 7.095 3.123 1.00 32.42 H new ATOM 0 HE1 TYR A 124 -0.130 9.764 -0.727 1.00 53.13 H new ATOM 0 HE2 TYR A 124 -0.817 6.553 1.940 1.00 33.21 H new ATOM 0 HH TYR A 124 -1.927 8.616 -0.722 1.00 11.20 H new ATOM 1159 N HIS A 125 5.614 10.479 3.098 1.00 62.12 N ATOM 1160 CA HIS A 125 6.909 10.704 3.768 1.00 23.22 C ATOM 1161 C HIS A 125 7.615 11.893 3.102 1.00 70.41 C ATOM 1162 O HIS A 125 8.567 11.702 2.404 1.00 62.31 O ATOM 1163 CB HIS A 125 7.853 9.470 3.686 1.00 22.12 C ATOM 1164 CG HIS A 125 7.386 8.177 4.308 1.00 41.13 C ATOM 1165 ND1 HIS A 125 6.871 8.038 5.575 1.00 3.23 N ATOM 1166 CD2 HIS A 125 7.374 6.946 3.768 1.00 31.43 C ATOM 1167 CE1 HIS A 125 6.559 6.754 5.768 1.00 12.15 C ATOM 1168 NE2 HIS A 125 6.841 6.015 4.666 1.00 41.43 N ATOM 0 H HIS A 125 5.683 10.170 2.128 1.00 62.12 H new ATOM 0 HA HIS A 125 6.698 10.895 4.820 1.00 23.22 H new ATOM 0 HB2 HIS A 125 8.061 9.278 2.633 1.00 22.12 H new ATOM 0 HB3 HIS A 125 8.799 9.742 4.153 1.00 22.12 H new ATOM 0 HD1 HIS A 125 6.748 8.789 6.254 1.00 3.23 H new ATOM 0 HD2 HIS A 125 7.728 6.708 2.776 1.00 31.43 H new ATOM 0 HE1 HIS A 125 6.138 6.357 6.680 1.00 12.15 H new ATOM 1176 N PRO A 126 7.123 13.122 3.285 1.00 61.32 N ATOM 1177 CA PRO A 126 7.649 14.304 2.597 1.00 12.53 C ATOM 1178 C PRO A 126 8.984 14.811 3.141 1.00 74.41 C ATOM 1179 O PRO A 126 9.251 14.769 4.361 1.00 54.34 O ATOM 1180 CB PRO A 126 6.558 15.337 2.836 1.00 23.11 C ATOM 1181 CG PRO A 126 6.003 14.952 4.161 1.00 42.41 C ATOM 1182 CD PRO A 126 6.019 13.465 4.170 1.00 2.25 C ATOM 0 HA PRO A 126 7.865 14.087 1.551 1.00 12.53 H new ATOM 0 HB2 PRO A 126 6.960 16.350 2.848 1.00 23.11 H new ATOM 0 HB3 PRO A 126 5.797 15.305 2.057 1.00 23.11 H new ATOM 0 HG2 PRO A 126 6.605 15.358 4.974 1.00 42.41 H new ATOM 0 HG3 PRO A 126 4.991 15.336 4.291 1.00 42.41 H new ATOM 0 HD2 PRO A 126 6.176 13.073 5.175 1.00 2.25 H new ATOM 0 HD3 PRO A 126 5.076 13.053 3.811 1.00 2.25 H new ATOM 1190 N GLY A 127 9.802 15.311 2.239 1.00 11.31 N ATOM 1191 CA GLY A 127 11.083 15.870 2.597 1.00 55.14 C ATOM 1192 C GLY A 127 12.041 15.836 1.437 1.00 0.30 C ATOM 1193 O GLY A 127 12.726 16.822 1.150 1.00 52.32 O ATOM 0 H GLY A 127 9.596 15.340 1.240 1.00 11.31 H new ATOM 0 HA2 GLY A 127 10.952 16.899 2.932 1.00 55.14 H new ATOM 0 HA3 GLY A 127 11.503 15.313 3.434 1.00 55.14 H new ATOM 1197 N GLU A 128 12.058 14.733 0.751 1.00 33.40 N ATOM 1198 CA GLU A 128 12.945 14.508 -0.368 1.00 71.21 C ATOM 1199 C GLU A 128 12.320 13.457 -1.249 1.00 12.23 C ATOM 1200 O GLU A 128 11.253 12.928 -0.899 1.00 13.31 O ATOM 1201 CB GLU A 128 14.344 14.097 0.146 1.00 11.24 C ATOM 1202 CG GLU A 128 14.369 12.854 1.027 1.00 0.55 C ATOM 1203 CD GLU A 128 14.743 11.601 0.288 1.00 4.32 C ATOM 1204 OE1 GLU A 128 13.883 10.960 -0.304 1.00 52.33 O ATOM 1205 OE2 GLU A 128 15.940 11.267 0.264 1.00 73.24 O ATOM 0 H GLU A 128 11.445 13.943 0.952 1.00 33.40 H new ATOM 0 HA GLU A 128 13.084 15.416 -0.955 1.00 71.21 H new ATOM 0 HB2 GLU A 128 14.994 13.928 -0.712 1.00 11.24 H new ATOM 0 HB3 GLU A 128 14.767 14.930 0.707 1.00 11.24 H new ATOM 0 HG2 GLU A 128 15.076 13.010 1.842 1.00 0.55 H new ATOM 0 HG3 GLU A 128 13.386 12.720 1.479 1.00 0.55 H new ATOM 1212 N GLU A 129 12.913 13.171 -2.372 1.00 12.15 N ATOM 1213 CA GLU A 129 12.351 12.172 -3.225 1.00 75.42 C ATOM 1214 C GLU A 129 13.443 11.227 -3.697 1.00 42.42 C ATOM 1215 O GLU A 129 14.110 11.468 -4.727 1.00 51.33 O ATOM 1216 CB GLU A 129 11.678 12.869 -4.395 1.00 2.25 C ATOM 1217 CG GLU A 129 10.919 11.973 -5.344 1.00 65.43 C ATOM 1218 CD GLU A 129 10.224 12.765 -6.419 1.00 53.12 C ATOM 1219 OE1 GLU A 129 10.866 13.088 -7.453 1.00 54.15 O ATOM 1220 OE2 GLU A 129 9.037 13.115 -6.254 1.00 23.51 O ATOM 0 H GLU A 129 13.770 13.608 -2.712 1.00 12.15 H new ATOM 0 HA GLU A 129 11.610 11.578 -2.689 1.00 75.42 H new ATOM 0 HB2 GLU A 129 10.989 13.616 -4.001 1.00 2.25 H new ATOM 0 HB3 GLU A 129 12.440 13.405 -4.962 1.00 2.25 H new ATOM 0 HG2 GLU A 129 11.607 11.262 -5.802 1.00 65.43 H new ATOM 0 HG3 GLU A 129 10.184 11.392 -4.787 1.00 65.43 H new ATOM 1227 N ASN A 130 13.638 10.162 -2.928 1.00 51.20 N ATOM 1228 CA ASN A 130 14.669 9.159 -3.174 1.00 54.32 C ATOM 1229 C ASN A 130 14.250 7.836 -2.560 1.00 35.24 C ATOM 1230 O ASN A 130 14.468 7.582 -1.376 1.00 11.14 O ATOM 1231 CB ASN A 130 15.998 9.588 -2.508 1.00 4.00 C ATOM 1232 CG ASN A 130 16.556 10.894 -3.034 1.00 44.55 C ATOM 1233 OD1 ASN A 130 17.373 10.929 -3.944 1.00 41.33 O ATOM 1234 ND2 ASN A 130 16.108 11.969 -2.463 1.00 25.42 N ATOM 0 H ASN A 130 13.074 9.967 -2.101 1.00 51.20 H new ATOM 0 HA ASN A 130 14.802 9.059 -4.251 1.00 54.32 H new ATOM 0 HB2 ASN A 130 15.842 9.678 -1.433 1.00 4.00 H new ATOM 0 HB3 ASN A 130 16.738 8.802 -2.658 1.00 4.00 H new ATOM 0 HD21 ASN A 130 16.437 12.884 -2.770 1.00 25.42 H new ATOM 0 HD22 ASN A 130 15.427 11.899 -1.707 1.00 25.42 H new ATOM 1241 N PHE A 131 13.637 7.021 -3.342 1.00 70.14 N ATOM 1242 CA PHE A 131 13.210 5.714 -2.917 1.00 53.32 C ATOM 1243 C PHE A 131 14.039 4.643 -3.603 1.00 43.44 C ATOM 1244 O PHE A 131 14.263 4.695 -4.822 1.00 12.15 O ATOM 1245 CB PHE A 131 11.755 5.497 -3.256 1.00 3.43 C ATOM 1246 CG PHE A 131 10.795 5.503 -2.096 1.00 2.10 C ATOM 1247 CD1 PHE A 131 10.809 4.485 -1.171 1.00 41.43 C ATOM 1248 CD2 PHE A 131 9.847 6.481 -1.968 1.00 52.22 C ATOM 1249 CE1 PHE A 131 9.895 4.444 -0.144 1.00 51.24 C ATOM 1250 CE2 PHE A 131 8.917 6.441 -0.942 1.00 0.50 C ATOM 1251 CZ PHE A 131 8.943 5.418 -0.036 1.00 1.41 C ATOM 0 H PHE A 131 13.409 7.236 -4.313 1.00 70.14 H new ATOM 0 HA PHE A 131 13.345 5.648 -1.837 1.00 53.32 H new ATOM 0 HB2 PHE A 131 11.448 6.271 -3.959 1.00 3.43 H new ATOM 0 HB3 PHE A 131 11.662 4.542 -3.773 1.00 3.43 H new ATOM 0 HD1 PHE A 131 11.551 3.704 -1.253 1.00 41.43 H new ATOM 0 HD2 PHE A 131 9.823 7.296 -2.677 1.00 52.22 H new ATOM 0 HE1 PHE A 131 9.930 3.641 0.578 1.00 51.24 H new ATOM 0 HE2 PHE A 131 8.172 7.218 -0.858 1.00 0.50 H new ATOM 0 HZ PHE A 131 8.215 5.380 0.761 1.00 1.41 H new ATOM 1261 N LYS A 132 14.434 3.663 -2.856 1.00 23.14 N ATOM 1262 CA LYS A 132 15.277 2.605 -3.341 1.00 61.21 C ATOM 1263 C LYS A 132 14.409 1.364 -3.509 1.00 45.51 C ATOM 1264 O LYS A 132 13.334 1.300 -2.948 1.00 2.01 O ATOM 1265 CB LYS A 132 16.409 2.319 -2.337 1.00 13.13 C ATOM 1266 CG LYS A 132 16.085 1.218 -1.341 1.00 22.25 C ATOM 1267 CD LYS A 132 17.240 0.899 -0.445 1.00 64.43 C ATOM 1268 CE LYS A 132 17.025 -0.453 0.194 1.00 73.22 C ATOM 1269 NZ LYS A 132 18.092 -0.813 1.150 1.00 22.24 N ATOM 0 H LYS A 132 14.178 3.569 -1.873 1.00 23.14 H new ATOM 0 HA LYS A 132 15.731 2.890 -4.290 1.00 61.21 H new ATOM 0 HB2 LYS A 132 17.309 2.044 -2.887 1.00 13.13 H new ATOM 0 HB3 LYS A 132 16.637 3.234 -1.791 1.00 13.13 H new ATOM 0 HG2 LYS A 132 15.231 1.521 -0.734 1.00 22.25 H new ATOM 0 HG3 LYS A 132 15.789 0.319 -1.881 1.00 22.25 H new ATOM 0 HD2 LYS A 132 18.168 0.899 -1.017 1.00 64.43 H new ATOM 0 HD3 LYS A 132 17.339 1.665 0.324 1.00 64.43 H new ATOM 0 HE2 LYS A 132 16.065 -0.457 0.710 1.00 73.22 H new ATOM 0 HE3 LYS A 132 16.971 -1.213 -0.585 1.00 73.22 H new ATOM 0 HZ1 LYS A 132 17.892 -1.749 1.557 1.00 22.24 H new ATOM 0 HZ2 LYS A 132 19.007 -0.838 0.656 1.00 22.24 H new ATOM 0 HZ3 LYS A 132 18.129 -0.105 1.911 1.00 22.24 H new ATOM 1283 N LEU A 133 14.884 0.387 -4.211 1.00 24.21 N ATOM 1284 CA LEU A 133 14.112 -0.797 -4.453 1.00 53.53 C ATOM 1285 C LEU A 133 14.889 -2.013 -4.012 1.00 62.52 C ATOM 1286 O LEU A 133 16.045 -2.215 -4.409 1.00 24.23 O ATOM 1287 CB LEU A 133 13.665 -0.935 -5.936 1.00 32.13 C ATOM 1288 CG LEU A 133 14.765 -0.952 -7.017 1.00 11.53 C ATOM 1289 CD1 LEU A 133 14.215 -1.538 -8.309 1.00 40.32 C ATOM 1290 CD2 LEU A 133 15.277 0.459 -7.300 1.00 52.13 C ATOM 0 H LEU A 133 15.813 0.383 -4.633 1.00 24.21 H new ATOM 0 HA LEU A 133 13.198 -0.715 -3.865 1.00 53.53 H new ATOM 0 HB2 LEU A 133 13.089 -1.856 -6.029 1.00 32.13 H new ATOM 0 HB3 LEU A 133 12.987 -0.111 -6.160 1.00 32.13 H new ATOM 0 HG LEU A 133 15.588 -1.563 -6.646 1.00 11.53 H new ATOM 0 HD11 LEU A 133 14.998 -1.546 -9.067 1.00 40.32 H new ATOM 0 HD12 LEU A 133 13.873 -2.557 -8.130 1.00 40.32 H new ATOM 0 HD13 LEU A 133 13.379 -0.931 -8.657 1.00 40.32 H new ATOM 0 HD21 LEU A 133 16.052 0.418 -8.066 1.00 52.13 H new ATOM 0 HD22 LEU A 133 14.453 1.082 -7.650 1.00 52.13 H new ATOM 0 HD23 LEU A 133 15.692 0.886 -6.387 1.00 52.13 H new ATOM 1302 N THR A 134 14.296 -2.783 -3.165 1.00 53.54 N ATOM 1303 CA THR A 134 14.891 -3.968 -2.677 1.00 61.23 C ATOM 1304 C THR A 134 13.820 -5.045 -2.692 1.00 11.32 C ATOM 1305 O THR A 134 12.795 -4.907 -2.050 1.00 33.44 O ATOM 1306 CB THR A 134 15.498 -3.729 -1.245 1.00 0.22 C ATOM 1307 OG1 THR A 134 16.118 -4.905 -0.708 1.00 44.30 O ATOM 1308 CG2 THR A 134 14.476 -3.171 -0.253 1.00 23.33 C ATOM 0 H THR A 134 13.366 -2.598 -2.788 1.00 53.54 H new ATOM 0 HA THR A 134 15.726 -4.285 -3.302 1.00 61.23 H new ATOM 0 HB THR A 134 16.271 -2.974 -1.386 1.00 0.22 H new ATOM 0 HG1 THR A 134 16.481 -4.707 0.180 1.00 44.30 H new ATOM 0 HG21 THR A 134 14.952 -3.027 0.717 1.00 23.33 H new ATOM 0 HG22 THR A 134 14.099 -2.216 -0.618 1.00 23.33 H new ATOM 0 HG23 THR A 134 13.648 -3.873 -0.150 1.00 23.33 H new ATOM 1316 N MET A 135 13.989 -6.088 -3.452 1.00 13.22 N ATOM 1317 CA MET A 135 12.903 -7.016 -3.481 1.00 1.02 C ATOM 1318 C MET A 135 13.210 -8.108 -2.524 1.00 4.31 C ATOM 1319 O MET A 135 14.028 -8.983 -2.796 1.00 71.51 O ATOM 1320 CB MET A 135 12.772 -7.567 -4.901 1.00 1.22 C ATOM 1321 CG MET A 135 11.590 -8.486 -5.151 1.00 72.44 C ATOM 1322 SD MET A 135 11.532 -9.023 -6.875 1.00 13.42 S ATOM 1323 CE MET A 135 9.996 -9.935 -6.908 1.00 61.34 C ATOM 0 H MET A 135 14.806 -6.307 -4.021 1.00 13.22 H new ATOM 0 HA MET A 135 11.964 -6.540 -3.200 1.00 1.02 H new ATOM 0 HB2 MET A 135 12.705 -6.726 -5.591 1.00 1.22 H new ATOM 0 HB3 MET A 135 13.686 -8.108 -5.145 1.00 1.22 H new ATOM 0 HG2 MET A 135 11.659 -9.356 -4.499 1.00 72.44 H new ATOM 0 HG3 MET A 135 10.664 -7.969 -4.897 1.00 72.44 H new ATOM 0 HE1 MET A 135 9.773 -10.236 -7.932 1.00 61.34 H new ATOM 0 HE2 MET A 135 10.086 -10.822 -6.280 1.00 61.34 H new ATOM 0 HE3 MET A 135 9.190 -9.304 -6.532 1.00 61.34 H new ATOM 1333 N VAL A 136 12.546 -8.049 -1.410 1.00 35.24 N ATOM 1334 CA VAL A 136 12.632 -9.039 -0.385 1.00 22.42 C ATOM 1335 C VAL A 136 11.311 -9.128 0.347 1.00 51.43 C ATOM 1336 O VAL A 136 10.987 -8.254 1.085 1.00 63.00 O ATOM 1337 CB VAL A 136 13.796 -8.723 0.638 1.00 20.03 C ATOM 1338 CG1 VAL A 136 15.135 -9.195 0.098 1.00 4.15 C ATOM 1339 CG2 VAL A 136 13.885 -7.214 0.912 1.00 22.53 C ATOM 0 H VAL A 136 11.909 -7.285 -1.184 1.00 35.24 H new ATOM 0 HA VAL A 136 12.858 -9.995 -0.858 1.00 22.42 H new ATOM 0 HB VAL A 136 13.568 -9.253 1.563 1.00 20.03 H new ATOM 0 HG11 VAL A 136 15.919 -8.966 0.820 1.00 4.15 H new ATOM 0 HG12 VAL A 136 15.100 -10.271 -0.071 1.00 4.15 H new ATOM 0 HG13 VAL A 136 15.348 -8.687 -0.842 1.00 4.15 H new ATOM 0 HG21 VAL A 136 14.692 -7.019 1.618 1.00 22.53 H new ATOM 0 HG22 VAL A 136 14.084 -6.686 -0.021 1.00 22.53 H new ATOM 0 HG23 VAL A 136 12.942 -6.864 1.333 1.00 22.53 H new ATOM 1349 N LYS A 137 10.566 -10.135 0.185 1.00 52.50 N ATOM 1350 CA LYS A 137 9.376 -10.243 0.985 1.00 63.24 C ATOM 1351 C LYS A 137 9.286 -11.664 1.392 1.00 43.04 C ATOM 1352 O LYS A 137 9.228 -12.556 0.544 1.00 22.25 O ATOM 1353 CB LYS A 137 8.151 -9.750 0.246 1.00 53.51 C ATOM 1354 CG LYS A 137 6.965 -9.334 1.111 1.00 54.01 C ATOM 1355 CD LYS A 137 7.342 -8.130 1.946 1.00 33.11 C ATOM 1356 CE LYS A 137 6.153 -7.315 2.455 1.00 13.33 C ATOM 1357 NZ LYS A 137 6.611 -6.429 3.502 1.00 23.20 N ATOM 0 H LYS A 137 10.731 -10.896 -0.474 1.00 52.50 H new ATOM 0 HA LYS A 137 9.425 -9.603 1.866 1.00 63.24 H new ATOM 0 HB2 LYS A 137 8.442 -8.899 -0.369 1.00 53.51 H new ATOM 0 HB3 LYS A 137 7.821 -10.536 -0.433 1.00 53.51 H new ATOM 0 HG2 LYS A 137 6.108 -9.098 0.481 1.00 54.01 H new ATOM 0 HG3 LYS A 137 6.667 -10.159 1.758 1.00 54.01 H new ATOM 0 HD2 LYS A 137 7.929 -8.466 2.801 1.00 33.11 H new ATOM 0 HD3 LYS A 137 7.985 -7.480 1.353 1.00 33.11 H new ATOM 0 HE2 LYS A 137 5.712 -6.741 1.640 1.00 13.33 H new ATOM 0 HE3 LYS A 137 5.375 -7.978 2.835 1.00 13.33 H new ATOM 0 HZ1 LYS A 137 5.793 -6.059 4.027 1.00 23.20 H new ATOM 0 HZ2 LYS A 137 7.232 -6.952 4.152 1.00 23.20 H new ATOM 0 HZ3 LYS A 137 7.139 -5.638 3.081 1.00 23.20 H new ATOM 1371 N ARG A 138 9.314 -11.904 2.640 1.00 23.44 N ATOM 1372 CA ARG A 138 9.449 -13.240 3.089 1.00 33.03 C ATOM 1373 C ARG A 138 8.137 -13.799 3.569 1.00 3.42 C ATOM 1374 O ARG A 138 7.261 -13.041 3.995 1.00 75.42 O ATOM 1375 CB ARG A 138 10.597 -13.371 4.116 1.00 73.23 C ATOM 1376 CG ARG A 138 12.000 -13.057 3.527 1.00 75.52 C ATOM 1377 CD ARG A 138 12.262 -11.550 3.312 1.00 11.53 C ATOM 1378 NE ARG A 138 12.360 -10.795 4.574 1.00 15.52 N ATOM 1379 CZ ARG A 138 12.288 -9.446 4.699 1.00 1.41 C ATOM 1380 NH1 ARG A 138 11.943 -8.672 3.671 1.00 42.22 N ATOM 1381 NH2 ARG A 138 12.522 -8.881 5.875 1.00 72.44 N ATOM 0 H ARG A 138 9.246 -11.199 3.374 1.00 23.44 H new ATOM 0 HA ARG A 138 9.735 -13.861 2.240 1.00 33.03 H new ATOM 0 HB2 ARG A 138 10.404 -12.698 4.951 1.00 73.23 H new ATOM 0 HB3 ARG A 138 10.600 -14.384 4.518 1.00 73.23 H new ATOM 0 HG2 ARG A 138 12.762 -13.457 4.195 1.00 75.52 H new ATOM 0 HG3 ARG A 138 12.108 -13.575 2.574 1.00 75.52 H new ATOM 0 HD2 ARG A 138 13.186 -11.425 2.748 1.00 11.53 H new ATOM 0 HD3 ARG A 138 11.459 -11.130 2.706 1.00 11.53 H new ATOM 0 HE ARG A 138 12.494 -11.335 5.429 1.00 15.52 H new ATOM 0 HH11 ARG A 138 11.726 -9.092 2.767 1.00 42.22 H new ATOM 0 HH12 ARG A 138 11.895 -7.660 3.788 1.00 42.22 H new ATOM 0 HH21 ARG A 138 12.755 -9.460 6.682 1.00 72.44 H new ATOM 0 HH22 ARG A 138 12.469 -7.867 5.973 1.00 72.44 H new ATOM 1395 N ASN A 139 7.982 -15.115 3.393 1.00 54.32 N ATOM 1396 CA ASN A 139 6.790 -15.909 3.794 1.00 10.24 C ATOM 1397 C ASN A 139 5.561 -15.634 2.911 1.00 60.21 C ATOM 1398 O ASN A 139 4.969 -16.556 2.365 1.00 12.03 O ATOM 1399 CB ASN A 139 6.425 -15.702 5.277 1.00 42.02 C ATOM 1400 CG ASN A 139 5.243 -16.556 5.736 1.00 31.34 C ATOM 1401 OD1 ASN A 139 5.044 -17.691 5.285 1.00 43.42 O ATOM 1402 ND2 ASN A 139 4.440 -16.011 6.601 1.00 44.33 N ATOM 0 H ASN A 139 8.702 -15.688 2.953 1.00 54.32 H new ATOM 0 HA ASN A 139 7.078 -16.950 3.648 1.00 10.24 H new ATOM 0 HB2 ASN A 139 7.293 -15.935 5.893 1.00 42.02 H new ATOM 0 HB3 ASN A 139 6.190 -14.651 5.442 1.00 42.02 H new ATOM 0 HD21 ASN A 139 3.619 -16.521 6.926 1.00 44.33 H new ATOM 0 HD22 ASN A 139 4.631 -15.073 6.954 1.00 44.33 H new ATOM 1409 N ASN A 140 5.200 -14.377 2.785 1.00 51.11 N ATOM 1410 CA ASN A 140 4.011 -13.954 2.036 1.00 23.51 C ATOM 1411 C ASN A 140 4.172 -14.245 0.542 1.00 61.51 C ATOM 1412 O ASN A 140 3.596 -15.192 0.018 1.00 43.44 O ATOM 1413 CB ASN A 140 3.743 -12.451 2.233 1.00 53.43 C ATOM 1414 CG ASN A 140 3.660 -12.016 3.678 1.00 22.05 C ATOM 1415 OD1 ASN A 140 2.601 -12.045 4.290 1.00 12.11 O ATOM 1416 ND2 ASN A 140 4.776 -11.565 4.222 1.00 0.01 N ATOM 0 H ASN A 140 5.720 -13.603 3.199 1.00 51.11 H new ATOM 0 HA ASN A 140 3.165 -14.523 2.422 1.00 23.51 H new ATOM 0 HB2 ASN A 140 4.534 -11.886 1.741 1.00 53.43 H new ATOM 0 HB3 ASN A 140 2.809 -12.192 1.734 1.00 53.43 H new ATOM 0 HD21 ASN A 140 4.774 -11.225 5.184 1.00 0.01 H new ATOM 0 HD22 ASN A 140 5.640 -11.556 3.680 1.00 0.01 H new ATOM 1423 N GLN A 141 4.964 -13.431 -0.120 1.00 44.43 N ATOM 1424 CA GLN A 141 5.272 -13.560 -1.521 1.00 22.31 C ATOM 1425 C GLN A 141 6.446 -12.687 -1.763 1.00 33.11 C ATOM 1426 O GLN A 141 6.704 -11.851 -0.949 1.00 3.42 O ATOM 1427 CB GLN A 141 4.117 -13.088 -2.429 1.00 25.04 C ATOM 1428 CG GLN A 141 3.816 -11.587 -2.470 1.00 65.44 C ATOM 1429 CD GLN A 141 3.205 -11.035 -1.214 1.00 2.11 C ATOM 1430 OE1 GLN A 141 2.005 -11.026 -1.048 1.00 35.04 O ATOM 1431 NE2 GLN A 141 4.022 -10.527 -0.348 1.00 12.33 N ATOM 0 H GLN A 141 5.425 -12.635 0.320 1.00 44.43 H new ATOM 0 HA GLN A 141 5.454 -14.609 -1.757 1.00 22.31 H new ATOM 0 HB2 GLN A 141 4.334 -13.415 -3.446 1.00 25.04 H new ATOM 0 HB3 GLN A 141 3.210 -13.604 -2.115 1.00 25.04 H new ATOM 0 HG2 GLN A 141 4.742 -11.050 -2.674 1.00 65.44 H new ATOM 0 HG3 GLN A 141 3.142 -11.388 -3.303 1.00 65.44 H new ATOM 0 HE21 GLN A 141 5.027 -10.552 -0.520 1.00 12.33 H new ATOM 0 HE22 GLN A 141 3.661 -10.102 0.506 1.00 12.33 H new ATOM 1440 N THR A 142 7.117 -12.841 -2.854 1.00 44.45 N ATOM 1441 CA THR A 142 8.233 -11.994 -3.160 1.00 30.10 C ATOM 1442 C THR A 142 7.822 -10.813 -4.048 1.00 13.14 C ATOM 1443 O THR A 142 7.441 -10.963 -5.205 1.00 3.35 O ATOM 1444 CB THR A 142 9.434 -12.784 -3.697 1.00 10.33 C ATOM 1445 OG1 THR A 142 8.972 -13.940 -4.435 1.00 1.03 O ATOM 1446 CG2 THR A 142 10.341 -13.220 -2.544 1.00 4.42 C ATOM 0 H THR A 142 6.914 -13.551 -3.558 1.00 44.45 H new ATOM 0 HA THR A 142 8.578 -11.555 -2.224 1.00 30.10 H new ATOM 0 HB THR A 142 10.008 -12.143 -4.366 1.00 10.33 H new ATOM 0 HG1 THR A 142 9.743 -14.439 -4.777 1.00 1.03 H new ATOM 0 HG21 THR A 142 11.189 -13.779 -2.940 1.00 4.42 H new ATOM 0 HG22 THR A 142 10.703 -12.340 -2.013 1.00 4.42 H new ATOM 0 HG23 THR A 142 9.778 -13.852 -1.857 1.00 4.42 H new ATOM 1454 N ILE A 143 7.878 -9.664 -3.437 1.00 4.05 N ATOM 1455 CA ILE A 143 7.437 -8.381 -3.930 1.00 15.10 C ATOM 1456 C ILE A 143 8.495 -7.327 -3.651 1.00 45.31 C ATOM 1457 O ILE A 143 9.360 -7.549 -2.791 1.00 33.10 O ATOM 1458 CB ILE A 143 6.018 -7.969 -3.451 1.00 2.41 C ATOM 1459 CG1 ILE A 143 5.855 -8.118 -1.975 1.00 12.34 C ATOM 1460 CG2 ILE A 143 4.937 -8.710 -4.181 1.00 24.01 C ATOM 1461 CD1 ILE A 143 6.486 -6.999 -1.215 1.00 24.24 C ATOM 0 H ILE A 143 8.267 -9.590 -2.497 1.00 4.05 H new ATOM 0 HA ILE A 143 7.322 -8.472 -5.010 1.00 15.10 H new ATOM 0 HB ILE A 143 5.915 -6.911 -3.690 1.00 2.41 H new ATOM 0 HG12 ILE A 143 4.793 -8.164 -1.733 1.00 12.34 H new ATOM 0 HG13 ILE A 143 6.296 -9.063 -1.657 1.00 12.34 H new ATOM 0 HG21 ILE A 143 3.963 -8.389 -3.812 1.00 24.01 H new ATOM 0 HG22 ILE A 143 5.008 -8.500 -5.248 1.00 24.01 H new ATOM 0 HG23 ILE A 143 5.053 -9.781 -4.014 1.00 24.01 H new ATOM 0 HD11 ILE A 143 6.338 -7.156 -0.147 1.00 24.24 H new ATOM 0 HD12 ILE A 143 7.553 -6.967 -1.433 1.00 24.24 H new ATOM 0 HD13 ILE A 143 6.027 -6.055 -1.510 1.00 24.24 H new ATOM 1473 N PHE A 144 8.492 -6.243 -4.382 1.00 54.53 N ATOM 1474 CA PHE A 144 9.565 -5.275 -4.315 1.00 53.23 C ATOM 1475 C PHE A 144 9.268 -4.282 -3.218 1.00 32.33 C ATOM 1476 O PHE A 144 8.223 -3.629 -3.211 1.00 35.11 O ATOM 1477 CB PHE A 144 9.572 -4.454 -5.614 1.00 43.23 C ATOM 1478 CG PHE A 144 9.941 -5.177 -6.861 1.00 1.15 C ATOM 1479 CD1 PHE A 144 8.979 -5.829 -7.619 1.00 43.41 C ATOM 1480 CD2 PHE A 144 11.246 -5.171 -7.296 1.00 62.31 C ATOM 1481 CE1 PHE A 144 9.324 -6.460 -8.794 1.00 34.21 C ATOM 1482 CE2 PHE A 144 11.602 -5.806 -8.465 1.00 21.25 C ATOM 1483 CZ PHE A 144 10.639 -6.450 -9.217 1.00 1.05 C ATOM 0 H PHE A 144 7.750 -6.003 -5.040 1.00 54.53 H new ATOM 0 HA PHE A 144 10.505 -5.801 -4.149 1.00 53.23 H new ATOM 0 HB2 PHE A 144 8.579 -4.025 -5.751 1.00 43.23 H new ATOM 0 HB3 PHE A 144 10.264 -3.621 -5.486 1.00 43.23 H new ATOM 0 HD1 PHE A 144 7.952 -5.842 -7.285 1.00 43.41 H new ATOM 0 HD2 PHE A 144 12.000 -4.662 -6.714 1.00 62.31 H new ATOM 0 HE1 PHE A 144 8.569 -6.961 -9.382 1.00 34.21 H new ATOM 0 HE2 PHE A 144 12.631 -5.800 -8.793 1.00 21.25 H new ATOM 0 HZ PHE A 144 10.914 -6.946 -10.136 1.00 1.05 H new ATOM 1493 N GLU A 145 10.181 -4.204 -2.274 1.00 42.31 N ATOM 1494 CA GLU A 145 10.051 -3.314 -1.185 1.00 22.01 C ATOM 1495 C GLU A 145 10.799 -2.054 -1.540 1.00 3.04 C ATOM 1496 O GLU A 145 11.892 -2.104 -2.110 1.00 20.15 O ATOM 1497 CB GLU A 145 10.593 -3.923 0.127 1.00 25.40 C ATOM 1498 CG GLU A 145 10.039 -5.294 0.472 1.00 10.34 C ATOM 1499 CD GLU A 145 9.866 -5.520 1.989 1.00 71.10 C ATOM 1500 OE1 GLU A 145 10.804 -5.977 2.679 1.00 72.21 O ATOM 1501 OE2 GLU A 145 8.756 -5.246 2.526 1.00 61.14 O ATOM 0 H GLU A 145 11.031 -4.767 -2.258 1.00 42.31 H new ATOM 0 HA GLU A 145 8.996 -3.102 -1.009 1.00 22.01 H new ATOM 0 HB2 GLU A 145 11.678 -3.993 0.057 1.00 25.40 H new ATOM 0 HB3 GLU A 145 10.370 -3.240 0.947 1.00 25.40 H new ATOM 0 HG2 GLU A 145 9.075 -5.422 -0.019 1.00 10.34 H new ATOM 0 HG3 GLU A 145 10.705 -6.058 0.072 1.00 10.34 H new ATOM 1508 N GLN A 146 10.223 -0.955 -1.253 1.00 73.03 N ATOM 1509 CA GLN A 146 10.798 0.290 -1.612 1.00 24.11 C ATOM 1510 C GLN A 146 11.084 1.091 -0.341 1.00 43.20 C ATOM 1511 O GLN A 146 10.152 1.430 0.407 1.00 0.24 O ATOM 1512 CB GLN A 146 9.831 1.010 -2.563 1.00 73.21 C ATOM 1513 CG GLN A 146 10.493 2.084 -3.367 1.00 30.22 C ATOM 1514 CD GLN A 146 9.634 2.690 -4.428 1.00 23.20 C ATOM 1515 OE1 GLN A 146 9.616 2.228 -5.550 1.00 53.24 O ATOM 1516 NE2 GLN A 146 8.976 3.761 -4.111 1.00 61.22 N ATOM 0 H GLN A 146 9.333 -0.886 -0.759 1.00 73.03 H new ATOM 0 HA GLN A 146 11.747 0.162 -2.132 1.00 24.11 H new ATOM 0 HB2 GLN A 146 9.385 0.281 -3.239 1.00 73.21 H new ATOM 0 HB3 GLN A 146 9.018 1.447 -1.983 1.00 73.21 H new ATOM 0 HG2 GLN A 146 10.823 2.873 -2.691 1.00 30.22 H new ATOM 0 HG3 GLN A 146 11.386 1.670 -3.835 1.00 30.22 H new ATOM 0 HE21 GLN A 146 9.015 4.120 -3.157 1.00 61.22 H new ATOM 0 HE22 GLN A 146 8.419 4.245 -4.816 1.00 61.22 H new ATOM 1525 N THR A 147 12.366 1.314 -0.054 1.00 63.52 N ATOM 1526 CA THR A 147 12.796 2.017 1.157 1.00 40.25 C ATOM 1527 C THR A 147 13.391 3.365 0.810 1.00 52.32 C ATOM 1528 O THR A 147 13.821 3.580 -0.308 1.00 21.44 O ATOM 1529 CB THR A 147 13.871 1.210 1.902 1.00 72.25 C ATOM 1530 OG1 THR A 147 14.094 -0.053 1.231 1.00 44.21 O ATOM 1531 CG2 THR A 147 13.442 0.951 3.331 1.00 4.03 C ATOM 0 H THR A 147 13.135 1.014 -0.652 1.00 63.52 H new ATOM 0 HA THR A 147 11.915 2.143 1.787 1.00 40.25 H new ATOM 0 HB THR A 147 14.795 1.788 1.907 1.00 72.25 H new ATOM 0 HG1 THR A 147 14.400 -0.719 1.881 1.00 44.21 H new ATOM 0 HG21 THR A 147 14.214 0.378 3.845 1.00 4.03 H new ATOM 0 HG22 THR A 147 13.293 1.901 3.844 1.00 4.03 H new ATOM 0 HG23 THR A 147 12.509 0.387 3.334 1.00 4.03 H new ATOM 1539 N ILE A 148 13.419 4.252 1.751 1.00 41.42 N ATOM 1540 CA ILE A 148 13.973 5.566 1.546 1.00 4.32 C ATOM 1541 C ILE A 148 15.305 5.619 2.242 1.00 51.33 C ATOM 1542 O ILE A 148 15.560 4.858 3.160 1.00 64.14 O ATOM 1543 CB ILE A 148 13.064 6.649 2.142 1.00 25.33 C ATOM 1544 CG1 ILE A 148 11.639 6.313 1.795 1.00 71.24 C ATOM 1545 CG2 ILE A 148 13.426 7.983 1.518 1.00 72.45 C ATOM 1546 CD1 ILE A 148 10.588 6.961 2.631 1.00 23.33 C ATOM 0 H ILE A 148 13.058 4.092 2.691 1.00 41.42 H new ATOM 0 HA ILE A 148 14.071 5.750 0.476 1.00 4.32 H new ATOM 0 HB ILE A 148 13.186 6.701 3.224 1.00 25.33 H new ATOM 0 HG12 ILE A 148 11.466 6.587 0.754 1.00 71.24 H new ATOM 0 HG13 ILE A 148 11.515 5.232 1.865 1.00 71.24 H new ATOM 0 HG21 ILE A 148 12.788 8.764 1.932 1.00 72.45 H new ATOM 0 HG22 ILE A 148 14.469 8.215 1.734 1.00 72.45 H new ATOM 0 HG23 ILE A 148 13.282 7.931 0.439 1.00 72.45 H new ATOM 0 HD11 ILE A 148 9.603 6.644 2.288 1.00 23.33 H new ATOM 0 HD12 ILE A 148 10.720 6.669 3.673 1.00 23.33 H new ATOM 0 HD13 ILE A 148 10.671 8.044 2.544 1.00 23.33 H new ATOM 1558 N ASN A 149 16.152 6.475 1.789 1.00 11.44 N ATOM 1559 CA ASN A 149 17.477 6.650 2.350 1.00 44.13 C ATOM 1560 C ASN A 149 17.509 7.833 3.319 1.00 41.04 C ATOM 1561 O ASN A 149 18.564 8.204 3.836 1.00 4.23 O ATOM 1562 CB ASN A 149 18.487 6.852 1.193 1.00 42.20 C ATOM 1563 CG ASN A 149 18.042 7.888 0.145 1.00 12.20 C ATOM 1564 OD1 ASN A 149 18.320 7.735 -1.039 1.00 51.00 O ATOM 1565 ND2 ASN A 149 17.391 8.946 0.563 1.00 44.45 N ATOM 0 H ASN A 149 15.955 7.094 1.002 1.00 11.44 H new ATOM 0 HA ASN A 149 17.751 5.761 2.918 1.00 44.13 H new ATOM 0 HB2 ASN A 149 19.445 7.162 1.611 1.00 42.20 H new ATOM 0 HB3 ASN A 149 18.650 5.896 0.696 1.00 42.20 H new ATOM 0 HD21 ASN A 149 17.104 9.664 -0.102 1.00 44.45 H new ATOM 0 HD22 ASN A 149 17.171 9.051 1.553 1.00 44.45 H new ATOM 1572 N ASP A 150 16.351 8.414 3.571 1.00 32.51 N ATOM 1573 CA ASP A 150 16.287 9.653 4.341 1.00 42.42 C ATOM 1574 C ASP A 150 15.034 9.727 5.181 1.00 22.45 C ATOM 1575 O ASP A 150 15.085 9.860 6.410 1.00 70.00 O ATOM 1576 CB ASP A 150 16.274 10.805 3.372 1.00 35.41 C ATOM 1577 CG ASP A 150 16.455 12.155 4.029 1.00 21.24 C ATOM 1578 OD1 ASP A 150 15.480 12.727 4.547 1.00 22.42 O ATOM 1579 OD2 ASP A 150 17.593 12.674 4.027 1.00 41.22 O ATOM 0 H ASP A 150 15.448 8.057 3.260 1.00 32.51 H new ATOM 0 HA ASP A 150 17.148 9.690 5.008 1.00 42.42 H new ATOM 0 HB2 ASP A 150 17.066 10.659 2.638 1.00 35.41 H new ATOM 0 HB3 ASP A 150 15.330 10.800 2.828 1.00 35.41 H new ATOM 1584 N LEU A 151 13.910 9.591 4.513 1.00 44.22 N ATOM 1585 CA LEU A 151 12.568 9.717 5.099 1.00 52.20 C ATOM 1586 C LEU A 151 12.175 8.413 5.800 1.00 74.52 C ATOM 1587 O LEU A 151 11.009 8.158 6.075 1.00 14.25 O ATOM 1588 CB LEU A 151 11.597 10.000 3.966 1.00 22.32 C ATOM 1589 CG LEU A 151 11.987 11.126 3.021 1.00 74.22 C ATOM 1590 CD1 LEU A 151 11.415 10.875 1.650 1.00 22.45 C ATOM 1591 CD2 LEU A 151 11.473 12.432 3.526 1.00 33.33 C ATOM 0 H LEU A 151 13.890 9.383 3.515 1.00 44.22 H new ATOM 0 HA LEU A 151 12.550 10.521 5.835 1.00 52.20 H new ATOM 0 HB2 LEU A 151 11.475 9.088 3.382 1.00 22.32 H new ATOM 0 HB3 LEU A 151 10.624 10.235 4.398 1.00 22.32 H new ATOM 0 HG LEU A 151 13.075 11.161 2.966 1.00 74.22 H new ATOM 0 HD11 LEU A 151 11.701 11.688 0.982 1.00 22.45 H new ATOM 0 HD12 LEU A 151 11.802 9.933 1.261 1.00 22.45 H new ATOM 0 HD13 LEU A 151 10.328 10.823 1.713 1.00 22.45 H new ATOM 0 HD21 LEU A 151 11.761 13.227 2.838 1.00 33.33 H new ATOM 0 HD22 LEU A 151 10.386 12.391 3.599 1.00 33.33 H new ATOM 0 HD23 LEU A 151 11.896 12.633 4.510 1.00 33.33 H new ATOM 1603 N THR A 152 13.171 7.613 6.061 1.00 62.54 N ATOM 1604 CA THR A 152 13.088 6.337 6.735 1.00 64.23 C ATOM 1605 C THR A 152 12.573 6.524 8.175 1.00 30.14 C ATOM 1606 O THR A 152 11.913 5.638 8.755 1.00 1.25 O ATOM 1607 CB THR A 152 14.524 5.808 6.793 1.00 34.13 C ATOM 1608 OG1 THR A 152 15.151 6.123 5.543 1.00 21.42 O ATOM 1609 CG2 THR A 152 14.573 4.303 7.014 1.00 1.25 C ATOM 0 H THR A 152 14.127 7.846 5.793 1.00 62.54 H new ATOM 0 HA THR A 152 12.409 5.661 6.215 1.00 64.23 H new ATOM 0 HB THR A 152 15.039 6.274 7.634 1.00 34.13 H new ATOM 0 HG1 THR A 152 15.071 5.359 4.935 1.00 21.42 H new ATOM 0 HG21 THR A 152 15.612 3.974 7.048 1.00 1.25 H new ATOM 0 HG22 THR A 152 14.083 4.058 7.956 1.00 1.25 H new ATOM 0 HG23 THR A 152 14.059 3.798 6.196 1.00 1.25 H new ATOM 1617 N PHE A 153 12.875 7.683 8.733 1.00 44.43 N ATOM 1618 CA PHE A 153 12.527 8.017 10.098 1.00 64.24 C ATOM 1619 C PHE A 153 11.812 9.358 10.129 1.00 63.11 C ATOM 1620 O PHE A 153 11.519 9.928 9.058 1.00 10.31 O ATOM 1621 CB PHE A 153 13.792 8.071 10.973 1.00 33.23 C ATOM 1622 CG PHE A 153 14.571 6.781 11.000 1.00 34.53 C ATOM 1623 CD1 PHE A 153 14.165 5.733 11.802 1.00 53.31 C ATOM 1624 CD2 PHE A 153 15.697 6.615 10.210 1.00 62.42 C ATOM 1625 CE1 PHE A 153 14.865 4.546 11.821 1.00 30.43 C ATOM 1626 CE2 PHE A 153 16.400 5.429 10.224 1.00 31.11 C ATOM 1627 CZ PHE A 153 15.983 4.394 11.031 1.00 51.12 C ATOM 0 H PHE A 153 13.374 8.425 8.243 1.00 44.43 H new ATOM 0 HA PHE A 153 11.864 7.248 10.494 1.00 64.24 H new ATOM 0 HB2 PHE A 153 14.440 8.868 10.609 1.00 33.23 H new ATOM 0 HB3 PHE A 153 13.506 8.333 11.992 1.00 33.23 H new ATOM 0 HD1 PHE A 153 13.288 5.845 12.422 1.00 53.31 H new ATOM 0 HD2 PHE A 153 16.028 7.424 9.576 1.00 62.42 H new ATOM 0 HE1 PHE A 153 14.537 3.735 12.455 1.00 30.43 H new ATOM 0 HE2 PHE A 153 17.276 5.312 9.603 1.00 31.11 H new ATOM 0 HZ PHE A 153 16.532 3.464 11.044 1.00 51.12 H new TER 1637 PHE A 153 HETATM 1638 ZN ZN A 205 -7.302 -4.420 2.168 1.00 1.45 ZN HETATM 1639 ZN ZN A 305 5.943 4.506 3.803 1.00 32.23 ZN