USER MOD reduce.3.24.130724 H: found=0, std=0, add=1047, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 1047 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 140 ASN : amide:sc= 1.05 K(o=0.91,f=-7.6!) USER MOD Set 1.2: A 144 LYS NZ :NH3+ -140:sc= -0.141! (180deg=-3.13!) USER MOD Set 2.1: A 107 MET CE :methyl 143:sc= -0.0759 (180deg=-0.111) USER MOD Set 2.2: A 139 CYS SG : rot -96:sc= 0.227 USER MOD Set 3.1: A 133 LYS NZ :NH3+ -123:sc= -0.855 (180deg=-2.88!) USER MOD Set 3.2: A 137 GLN : amide:sc= -0.012 K(o=-0.87,f=-2.6) USER MOD Set 4.1: A 100 TYR OH : rot -85:sc= 1.29 USER MOD Set 4.2: A 135 LYS NZ :NH3+ 164:sc= 2.08 (180deg=1.1) USER MOD Set 5.1: A 75 THR OG1 : rot 84:sc= 0.362 USER MOD Set 5.2: A 77 CYS SG : rot 180:sc= 1.18 USER MOD Set 6.1: A 58 ASN : amide:sc= -3.07! C(o=-2.1!,f=-8.9!) USER MOD Set 6.2: A 61 ASN : amide:sc= 0.963 K(o=-2.1,f=-8.9) USER MOD Set 7.1: A 46 ASN : amide:sc= 0.411! C(o=1.6!,f=-4.7!) USER MOD Set 7.2: A 49 LYS NZ :NH3+ 144:sc= 1.14 (180deg=0) USER MOD Set 8.1: A 32 LYS NZ :NH3+ 176:sc= 0.675 (180deg=-0.313) USER MOD Set 8.2: A 36 ASN : amide:sc= -0.101 K(o=1.1,f=-8!) USER MOD Set 8.3: A 51 TYR OH : rot -140:sc= 0.296 USER MOD Set 8.4: A 67 ASN : amide:sc= 0.195 K(o=1.1,f=0.28) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 77:sc= 0.735 USER MOD Single : A 34 GLN :FLIP amide:sc= -0.0279 F(o=-1,f=-0.028) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0.802 USER MOD Single : A 52 SER OG : rot 75:sc= 2.29 USER MOD Single : A 53 GLN : amide:sc= -0.109 K(o=-0.11,f=-0.9) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= -0.106 USER MOD Single : A 69 SER OG : rot 104:sc= 0.724 USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 30:sc= -0.248 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 ASN : amide:sc=-0.000516 K(o=-0.00052,f=-0.97) USER MOD Single : A 86 THR OG1 : rot 82:sc= 1.48 USER MOD Single : A 93 LYS NZ :NH3+ -167:sc=-0.000327 (180deg=-0.0837) USER MOD Single : A 94 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.102) USER MOD Single : A 95 TYR OH : rot 30:sc= -0.815 USER MOD Single : A 97 LYS NZ :NH3+ 171:sc= -0.0195 (180deg=-0.166) USER MOD Single : A 99 TYR OH : rot 1:sc= -1.4! USER MOD Single : A 105 SER OG : rot 74:sc= 0.333 USER MOD Single : A 106 ASN :FLIP amide:sc= -0.1 F(o=-1.5!,f=-0.1) USER MOD Single : A 111 LYS NZ :NH3+ 171:sc= -0.022 (180deg=-0.125) USER MOD Single : A 119 TYR OH : rot 15:sc= 0 USER MOD Single : A 121 THR OG1 : rot 76:sc= 0.617 USER MOD Single : A 124 LYS NZ :NH3+ -146:sc= 1.24 (180deg=1.14) USER MOD Single : A 126 LYS NZ :NH3+ 162:sc= 0.37 (180deg=0.00825) USER MOD Single : A 128 HIS : no HD1:sc= -0.26 X(o=-0.26,f=-0.11) USER MOD Single : A 130 LYS NZ :NH3+ 156:sc= 1.24 (180deg=1.22) USER MOD Single : A 134 MET CE :methyl -141:sc= -0.163 (180deg=-0.812) USER MOD Single : A 136 TYR OH : rot 180:sc= 0 USER MOD Single : A 141 LYS NZ :NH3+ -121:sc= 0.00619 (180deg=-0.468) USER MOD Single : A 145 GLN : amide:sc= -1.13 K(o=-1.1,f=-5.8!) USER MOD Single : A 146 LYS NZ :NH3+ -160:sc= -0.0992 (180deg=-0.461) USER MOD ----------------------------------------------------------------- ATOM 27 N PRO A 19 -17.429 -14.965 5.190 1.00 0.78 N ATOM 28 CA PRO A 19 -17.319 -13.652 4.580 1.00 0.70 C ATOM 29 C PRO A 19 -18.698 -13.059 4.366 1.00 0.65 C ATOM 30 O PRO A 19 -19.630 -13.784 3.994 1.00 0.70 O ATOM 31 CB PRO A 19 -16.659 -13.911 3.221 1.00 0.71 C ATOM 32 CG PRO A 19 -16.357 -15.379 3.169 1.00 0.75 C ATOM 33 CD PRO A 19 -16.523 -15.926 4.563 1.00 0.84 C ATOM 0 HA PRO A 19 -16.753 -12.956 5.200 1.00 0.70 H new ATOM 0 HB2 PRO A 19 -17.322 -13.622 2.406 1.00 0.71 H new ATOM 0 HB3 PRO A 19 -15.747 -13.323 3.114 1.00 0.71 H new ATOM 0 HG2 PRO A 19 -17.030 -15.884 2.476 1.00 0.75 H new ATOM 0 HG3 PRO A 19 -15.342 -15.549 2.809 1.00 0.75 H new ATOM 0 HD2 PRO A 19 -16.945 -16.931 4.554 1.00 0.84 H new ATOM 0 HD3 PRO A 19 -15.570 -15.985 5.089 1.00 0.84 H new ATOM 41 N PRO A 20 -18.862 -11.757 4.627 1.00 0.58 N ATOM 42 CA PRO A 20 -20.120 -11.077 4.367 1.00 0.54 C ATOM 43 C PRO A 20 -20.588 -11.364 2.955 1.00 0.55 C ATOM 44 O PRO A 20 -19.790 -11.700 2.080 1.00 0.58 O ATOM 45 CB PRO A 20 -19.785 -9.600 4.549 1.00 0.49 C ATOM 46 CG PRO A 20 -18.611 -9.592 5.468 1.00 0.50 C ATOM 47 CD PRO A 20 -17.843 -10.856 5.183 1.00 0.56 C ATOM 0 HA PRO A 20 -20.926 -11.400 5.025 1.00 0.54 H new ATOM 0 HB2 PRO A 20 -19.546 -9.127 3.596 1.00 0.49 H new ATOM 0 HB3 PRO A 20 -20.626 -9.052 4.975 1.00 0.49 H new ATOM 0 HG2 PRO A 20 -17.990 -8.713 5.298 1.00 0.50 H new ATOM 0 HG3 PRO A 20 -18.932 -9.558 6.509 1.00 0.50 H new ATOM 0 HD2 PRO A 20 -17.032 -10.682 4.476 1.00 0.56 H new ATOM 0 HD3 PRO A 20 -17.395 -11.266 6.088 1.00 0.56 H new ATOM 55 N ALA A 21 -21.870 -11.260 2.736 1.00 0.56 N ATOM 56 CA ALA A 21 -22.439 -11.687 1.483 1.00 0.63 C ATOM 57 C ALA A 21 -22.056 -10.772 0.323 1.00 0.60 C ATOM 58 O ALA A 21 -21.381 -9.760 0.497 1.00 0.60 O ATOM 59 CB ALA A 21 -23.947 -11.797 1.614 1.00 0.72 C ATOM 0 H ALA A 21 -22.541 -10.884 3.406 1.00 0.56 H new ATOM 0 HA ALA A 21 -22.025 -12.668 1.250 1.00 0.63 H new ATOM 0 HB1 ALA A 21 -24.372 -12.120 0.664 1.00 0.72 H new ATOM 0 HB2 ALA A 21 -24.193 -12.524 2.388 1.00 0.72 H new ATOM 0 HB3 ALA A 21 -24.361 -10.826 1.885 1.00 0.72 H new ATOM 65 N ASP A 22 -22.536 -11.171 -0.841 1.00 0.64 N ATOM 66 CA ASP A 22 -22.418 -10.455 -2.113 1.00 0.70 C ATOM 67 C ASP A 22 -22.575 -8.946 -1.937 1.00 0.67 C ATOM 68 O ASP A 22 -21.583 -8.282 -1.691 1.00 1.01 O ATOM 69 CB ASP A 22 -23.435 -11.003 -3.124 1.00 1.01 C ATOM 70 CG ASP A 22 -23.287 -10.408 -4.513 1.00 1.54 C ATOM 71 OD1 ASP A 22 -22.416 -10.874 -5.275 1.00 1.66 O ATOM 72 OD2 ASP A 22 -24.064 -9.491 -4.857 1.00 2.34 O ATOM 0 H ASP A 22 -23.047 -12.049 -0.937 1.00 0.64 H new ATOM 0 HA ASP A 22 -21.413 -10.624 -2.500 1.00 0.70 H new ATOM 0 HB2 ASP A 22 -23.326 -12.086 -3.187 1.00 1.01 H new ATOM 0 HB3 ASP A 22 -24.442 -10.805 -2.758 1.00 1.01 H new ATOM 77 N GLY A 23 -23.758 -8.407 -2.252 1.00 0.72 N ATOM 78 CA GLY A 23 -24.043 -6.972 -2.105 1.00 0.69 C ATOM 79 C GLY A 23 -23.149 -6.232 -1.106 1.00 0.61 C ATOM 80 O GLY A 23 -22.612 -5.178 -1.435 1.00 0.60 O ATOM 0 H GLY A 23 -24.543 -8.949 -2.614 1.00 0.72 H new ATOM 0 HA2 GLY A 23 -23.943 -6.496 -3.080 1.00 0.69 H new ATOM 0 HA3 GLY A 23 -25.082 -6.853 -1.797 1.00 0.69 H new ATOM 84 N ALA A 24 -22.977 -6.779 0.099 1.00 0.59 N ATOM 85 CA ALA A 24 -22.075 -6.188 1.094 1.00 0.55 C ATOM 86 C ALA A 24 -20.624 -6.178 0.593 1.00 0.48 C ATOM 87 O ALA A 24 -19.989 -5.122 0.515 1.00 0.44 O ATOM 88 CB ALA A 24 -22.173 -6.949 2.417 1.00 0.56 C ATOM 0 H ALA A 24 -23.448 -7.628 0.411 1.00 0.59 H new ATOM 0 HA ALA A 24 -22.383 -5.155 1.255 1.00 0.55 H new ATOM 0 HB1 ALA A 24 -21.499 -6.500 3.146 1.00 0.56 H new ATOM 0 HB2 ALA A 24 -23.196 -6.899 2.790 1.00 0.56 H new ATOM 0 HB3 ALA A 24 -21.895 -7.991 2.259 1.00 0.56 H new ATOM 94 N LEU A 25 -20.117 -7.355 0.243 1.00 0.49 N ATOM 95 CA LEU A 25 -18.748 -7.511 -0.254 1.00 0.48 C ATOM 96 C LEU A 25 -18.511 -6.710 -1.522 1.00 0.51 C ATOM 97 O LEU A 25 -17.522 -5.984 -1.633 1.00 0.53 O ATOM 98 CB LEU A 25 -18.436 -8.988 -0.526 1.00 0.47 C ATOM 99 CG LEU A 25 -18.078 -9.816 0.704 1.00 0.48 C ATOM 100 CD1 LEU A 25 -16.846 -10.668 0.442 1.00 0.53 C ATOM 101 CD2 LEU A 25 -17.859 -8.916 1.900 1.00 0.49 C ATOM 0 H LEU A 25 -20.640 -8.229 0.294 1.00 0.49 H new ATOM 0 HA LEU A 25 -18.084 -7.131 0.523 1.00 0.48 H new ATOM 0 HB2 LEU A 25 -19.301 -9.442 -1.010 1.00 0.47 H new ATOM 0 HB3 LEU A 25 -17.609 -9.043 -1.234 1.00 0.47 H new ATOM 0 HG LEU A 25 -18.911 -10.484 0.922 1.00 0.48 H new ATOM 0 HD11 LEU A 25 -16.610 -11.250 1.333 1.00 0.53 H new ATOM 0 HD12 LEU A 25 -17.041 -11.343 -0.391 1.00 0.53 H new ATOM 0 HD13 LEU A 25 -16.003 -10.023 0.196 1.00 0.53 H new ATOM 0 HD21 LEU A 25 -17.604 -9.522 2.770 1.00 0.49 H new ATOM 0 HD22 LEU A 25 -17.044 -8.223 1.690 1.00 0.49 H new ATOM 0 HD23 LEU A 25 -18.770 -8.354 2.104 1.00 0.49 H new ATOM 113 N LYS A 26 -19.419 -6.836 -2.475 1.00 0.55 N ATOM 114 CA LYS A 26 -19.269 -6.161 -3.753 1.00 0.59 C ATOM 115 C LYS A 26 -19.377 -4.656 -3.564 1.00 0.52 C ATOM 116 O LYS A 26 -18.862 -3.889 -4.364 1.00 0.53 O ATOM 117 CB LYS A 26 -20.323 -6.634 -4.744 1.00 0.68 C ATOM 118 CG LYS A 26 -21.678 -6.001 -4.518 1.00 0.73 C ATOM 119 CD LYS A 26 -22.690 -6.499 -5.520 1.00 0.82 C ATOM 120 CE LYS A 26 -23.986 -5.720 -5.430 1.00 0.93 C ATOM 121 NZ LYS A 26 -24.945 -6.119 -6.490 1.00 1.53 N ATOM 0 H LYS A 26 -20.266 -7.398 -2.388 1.00 0.55 H new ATOM 0 HA LYS A 26 -18.285 -6.404 -4.153 1.00 0.59 H new ATOM 0 HB2 LYS A 26 -19.988 -6.409 -5.756 1.00 0.68 H new ATOM 0 HB3 LYS A 26 -20.419 -7.718 -4.674 1.00 0.68 H new ATOM 0 HG2 LYS A 26 -22.022 -6.225 -3.508 1.00 0.73 H new ATOM 0 HG3 LYS A 26 -21.592 -4.917 -4.593 1.00 0.73 H new ATOM 0 HD2 LYS A 26 -22.281 -6.412 -6.527 1.00 0.82 H new ATOM 0 HD3 LYS A 26 -22.887 -7.557 -5.346 1.00 0.82 H new ATOM 0 HE2 LYS A 26 -24.439 -5.880 -4.452 1.00 0.93 H new ATOM 0 HE3 LYS A 26 -23.775 -4.654 -5.513 1.00 0.93 H new ATOM 0 HZ1 LYS A 26 -25.819 -5.563 -6.394 1.00 1.53 H new ATOM 0 HZ2 LYS A 26 -24.523 -5.943 -7.424 1.00 1.53 H new ATOM 0 HZ3 LYS A 26 -25.166 -7.131 -6.395 1.00 1.53 H new ATOM 135 N ARG A 27 -20.054 -4.238 -2.503 1.00 0.49 N ATOM 136 CA ARG A 27 -20.145 -2.829 -2.183 1.00 0.45 C ATOM 137 C ARG A 27 -18.841 -2.353 -1.581 1.00 0.39 C ATOM 138 O ARG A 27 -18.413 -1.227 -1.818 1.00 0.37 O ATOM 139 CB ARG A 27 -21.294 -2.558 -1.226 1.00 0.49 C ATOM 140 CG ARG A 27 -21.414 -1.100 -0.828 1.00 0.45 C ATOM 141 CD ARG A 27 -21.438 -0.194 -2.035 1.00 0.51 C ATOM 142 NE ARG A 27 -21.626 1.206 -1.660 1.00 1.11 N ATOM 143 CZ ARG A 27 -21.870 2.185 -2.528 1.00 1.29 C ATOM 144 NH1 ARG A 27 -22.020 1.912 -3.817 1.00 1.01 N ATOM 145 NH2 ARG A 27 -21.984 3.436 -2.098 1.00 2.11 N ATOM 0 H ARG A 27 -20.544 -4.855 -1.855 1.00 0.49 H new ATOM 0 HA ARG A 27 -20.338 -2.280 -3.105 1.00 0.45 H new ATOM 0 HB2 ARG A 27 -22.227 -2.878 -1.690 1.00 0.49 H new ATOM 0 HB3 ARG A 27 -21.160 -3.162 -0.329 1.00 0.49 H new ATOM 0 HG2 ARG A 27 -22.324 -0.955 -0.246 1.00 0.45 H new ATOM 0 HG3 ARG A 27 -20.577 -0.828 -0.185 1.00 0.45 H new ATOM 0 HD2 ARG A 27 -20.504 -0.300 -2.587 1.00 0.51 H new ATOM 0 HD3 ARG A 27 -22.241 -0.502 -2.704 1.00 0.51 H new ATOM 0 HE ARG A 27 -21.566 1.448 -0.671 1.00 1.11 H new ATOM 0 HH11 ARG A 27 -21.948 0.949 -4.146 1.00 1.01 H new ATOM 0 HH12 ARG A 27 -22.207 2.665 -4.479 1.00 1.01 H new ATOM 0 HH21 ARG A 27 -21.885 3.645 -1.105 1.00 2.11 H new ATOM 0 HH22 ARG A 27 -22.171 4.188 -2.761 1.00 2.11 H new ATOM 159 N ALA A 28 -18.207 -3.213 -0.803 1.00 0.39 N ATOM 160 CA ALA A 28 -16.886 -2.912 -0.297 1.00 0.37 C ATOM 161 C ALA A 28 -15.928 -2.807 -1.473 1.00 0.37 C ATOM 162 O ALA A 28 -15.012 -1.987 -1.488 1.00 0.36 O ATOM 163 CB ALA A 28 -16.426 -3.978 0.694 1.00 0.42 C ATOM 0 H ALA A 28 -18.583 -4.115 -0.512 1.00 0.39 H new ATOM 0 HA ALA A 28 -16.906 -1.964 0.240 1.00 0.37 H new ATOM 0 HB1 ALA A 28 -15.430 -3.729 1.060 1.00 0.42 H new ATOM 0 HB2 ALA A 28 -17.121 -4.019 1.533 1.00 0.42 H new ATOM 0 HB3 ALA A 28 -16.398 -4.948 0.198 1.00 0.42 H new ATOM 169 N GLU A 29 -16.183 -3.641 -2.472 1.00 0.43 N ATOM 170 CA GLU A 29 -15.443 -3.613 -3.719 1.00 0.47 C ATOM 171 C GLU A 29 -15.789 -2.336 -4.481 1.00 0.45 C ATOM 172 O GLU A 29 -14.932 -1.733 -5.123 1.00 0.48 O ATOM 173 CB GLU A 29 -15.793 -4.859 -4.541 1.00 0.55 C ATOM 174 CG GLU A 29 -14.713 -5.290 -5.524 1.00 0.84 C ATOM 175 CD GLU A 29 -14.716 -4.488 -6.808 1.00 1.52 C ATOM 176 OE1 GLU A 29 -15.808 -4.275 -7.377 1.00 2.41 O ATOM 177 OE2 GLU A 29 -13.632 -4.039 -7.234 1.00 1.83 O ATOM 0 H GLU A 29 -16.910 -4.355 -2.437 1.00 0.43 H new ATOM 0 HA GLU A 29 -14.371 -3.618 -3.524 1.00 0.47 H new ATOM 0 HB2 GLU A 29 -15.996 -5.684 -3.858 1.00 0.55 H new ATOM 0 HB3 GLU A 29 -16.714 -4.668 -5.093 1.00 0.55 H new ATOM 0 HG2 GLU A 29 -13.738 -5.194 -5.046 1.00 0.84 H new ATOM 0 HG3 GLU A 29 -14.849 -6.345 -5.763 1.00 0.84 H new ATOM 184 N GLU A 30 -17.044 -1.911 -4.363 1.00 0.43 N ATOM 185 CA GLU A 30 -17.508 -0.686 -4.994 1.00 0.44 C ATOM 186 C GLU A 30 -16.802 0.499 -4.407 1.00 0.41 C ATOM 187 O GLU A 30 -16.358 1.367 -5.124 1.00 0.48 O ATOM 188 CB GLU A 30 -19.010 -0.494 -4.807 1.00 0.47 C ATOM 189 CG GLU A 30 -19.837 -1.242 -5.806 1.00 0.64 C ATOM 190 CD GLU A 30 -19.605 -0.773 -7.229 1.00 1.23 C ATOM 191 OE1 GLU A 30 -19.945 0.389 -7.537 1.00 1.52 O ATOM 192 OE2 GLU A 30 -19.099 -1.564 -8.049 1.00 1.72 O ATOM 0 H GLU A 30 -17.761 -2.404 -3.831 1.00 0.43 H new ATOM 0 HA GLU A 30 -17.290 -0.769 -6.059 1.00 0.44 H new ATOM 0 HB2 GLU A 30 -19.287 -0.817 -3.803 1.00 0.47 H new ATOM 0 HB3 GLU A 30 -19.244 0.568 -4.876 1.00 0.47 H new ATOM 0 HG2 GLU A 30 -19.608 -2.305 -5.737 1.00 0.64 H new ATOM 0 HG3 GLU A 30 -20.892 -1.126 -5.557 1.00 0.64 H new ATOM 199 N LEU A 31 -16.708 0.521 -3.096 1.00 0.36 N ATOM 200 CA LEU A 31 -16.083 1.621 -2.399 1.00 0.36 C ATOM 201 C LEU A 31 -14.597 1.675 -2.706 1.00 0.37 C ATOM 202 O LEU A 31 -14.016 2.753 -2.784 1.00 0.41 O ATOM 203 CB LEU A 31 -16.338 1.483 -0.909 1.00 0.35 C ATOM 204 CG LEU A 31 -17.816 1.463 -0.534 1.00 0.37 C ATOM 205 CD1 LEU A 31 -17.983 1.241 0.948 1.00 0.37 C ATOM 206 CD2 LEU A 31 -18.505 2.749 -0.951 1.00 0.42 C ATOM 0 H LEU A 31 -17.060 -0.218 -2.487 1.00 0.36 H new ATOM 0 HA LEU A 31 -16.518 2.560 -2.740 1.00 0.36 H new ATOM 0 HB2 LEU A 31 -15.871 0.564 -0.554 1.00 0.35 H new ATOM 0 HB3 LEU A 31 -15.853 2.309 -0.389 1.00 0.35 H new ATOM 0 HG LEU A 31 -18.284 0.637 -1.069 1.00 0.37 H new ATOM 0 HD11 LEU A 31 -19.044 1.230 1.197 1.00 0.37 H new ATOM 0 HD12 LEU A 31 -17.535 0.287 1.226 1.00 0.37 H new ATOM 0 HD13 LEU A 31 -17.491 2.046 1.494 1.00 0.37 H new ATOM 0 HD21 LEU A 31 -19.557 2.705 -0.671 1.00 0.42 H new ATOM 0 HD22 LEU A 31 -18.031 3.594 -0.452 1.00 0.42 H new ATOM 0 HD23 LEU A 31 -18.422 2.873 -2.031 1.00 0.42 H new ATOM 218 N LYS A 32 -13.991 0.511 -2.901 1.00 0.37 N ATOM 219 CA LYS A 32 -12.618 0.443 -3.377 1.00 0.41 C ATOM 220 C LYS A 32 -12.535 1.080 -4.759 1.00 0.43 C ATOM 221 O LYS A 32 -11.678 1.917 -5.022 1.00 0.47 O ATOM 222 CB LYS A 32 -12.151 -1.010 -3.452 1.00 0.44 C ATOM 223 CG LYS A 32 -10.680 -1.165 -3.803 1.00 0.76 C ATOM 224 CD LYS A 32 -10.381 -2.564 -4.317 1.00 0.70 C ATOM 225 CE LYS A 32 -10.934 -2.768 -5.717 1.00 0.67 C ATOM 226 NZ LYS A 32 -10.233 -1.927 -6.725 1.00 1.15 N ATOM 0 H LYS A 32 -14.428 -0.396 -2.737 1.00 0.37 H new ATOM 0 HA LYS A 32 -11.973 0.980 -2.682 1.00 0.41 H new ATOM 0 HB2 LYS A 32 -12.339 -1.492 -2.493 1.00 0.44 H new ATOM 0 HB3 LYS A 32 -12.750 -1.536 -4.196 1.00 0.44 H new ATOM 0 HG2 LYS A 32 -10.405 -0.430 -4.560 1.00 0.76 H new ATOM 0 HG3 LYS A 32 -10.070 -0.960 -2.923 1.00 0.76 H new ATOM 0 HD2 LYS A 32 -9.304 -2.729 -4.322 1.00 0.70 H new ATOM 0 HD3 LYS A 32 -10.814 -3.302 -3.642 1.00 0.70 H new ATOM 0 HE2 LYS A 32 -10.840 -3.818 -5.994 1.00 0.67 H new ATOM 0 HE3 LYS A 32 -11.998 -2.530 -5.724 1.00 0.67 H new ATOM 0 HZ1 LYS A 32 -10.596 -2.148 -7.674 1.00 1.15 H new ATOM 0 HZ2 LYS A 32 -10.400 -0.922 -6.515 1.00 1.15 H new ATOM 0 HZ3 LYS A 32 -9.212 -2.123 -6.691 1.00 1.15 H new ATOM 240 N THR A 33 -13.469 0.693 -5.616 1.00 0.43 N ATOM 241 CA THR A 33 -13.539 1.190 -6.979 1.00 0.47 C ATOM 242 C THR A 33 -13.776 2.695 -6.985 1.00 0.47 C ATOM 243 O THR A 33 -13.064 3.447 -7.651 1.00 0.52 O ATOM 244 CB THR A 33 -14.668 0.467 -7.739 1.00 0.49 C ATOM 245 OG1 THR A 33 -14.356 -0.924 -7.830 1.00 0.50 O ATOM 246 CG2 THR A 33 -14.871 1.031 -9.131 1.00 0.57 C ATOM 0 H THR A 33 -14.202 0.023 -5.383 1.00 0.43 H new ATOM 0 HA THR A 33 -12.590 0.991 -7.477 1.00 0.47 H new ATOM 0 HB THR A 33 -15.594 0.617 -7.185 1.00 0.49 H new ATOM 0 HG1 THR A 33 -14.535 -1.356 -6.969 1.00 0.50 H new ATOM 0 HG21 THR A 33 -15.676 0.491 -9.629 1.00 0.57 H new ATOM 0 HG22 THR A 33 -15.132 2.087 -9.061 1.00 0.57 H new ATOM 0 HG23 THR A 33 -13.951 0.921 -9.706 1.00 0.57 H new ATOM 254 N GLN A 34 -14.778 3.119 -6.228 1.00 0.44 N ATOM 255 CA GLN A 34 -15.059 4.534 -6.028 1.00 0.46 C ATOM 256 C GLN A 34 -13.823 5.283 -5.548 1.00 0.46 C ATOM 257 O GLN A 34 -13.523 6.370 -6.025 1.00 0.51 O ATOM 258 CB GLN A 34 -16.172 4.719 -5.001 1.00 0.48 C ATOM 259 CG GLN A 34 -17.482 4.068 -5.385 1.00 0.50 C ATOM 260 CD GLN A 34 -18.648 4.575 -4.560 1.00 0.75 C ATOM 261 OE1 GLN A 34 -18.366 5.015 -3.345 1.00 1.50 O flip ATOM 262 NE2 GLN A 34 -19.790 4.586 -5.013 1.00 1.31 N flip ATOM 0 H GLN A 34 -15.417 2.494 -5.737 1.00 0.44 H new ATOM 0 HA GLN A 34 -15.370 4.940 -6.991 1.00 0.46 H new ATOM 0 HB2 GLN A 34 -15.842 4.310 -4.046 1.00 0.48 H new ATOM 0 HB3 GLN A 34 -16.339 5.786 -4.851 1.00 0.48 H new ATOM 0 HG2 GLN A 34 -17.680 4.254 -6.441 1.00 0.50 H new ATOM 0 HG3 GLN A 34 -17.397 2.988 -5.262 1.00 0.50 H new ATOM 0 HE21 GLN A 34 -19.968 4.238 -5.955 1.00 1.31 H new ATOM 0 HE22 GLN A 34 -20.560 4.943 -4.447 1.00 1.31 H new ATOM 271 N ALA A 35 -13.112 4.698 -4.598 1.00 0.43 N ATOM 272 CA ALA A 35 -11.930 5.330 -4.040 1.00 0.44 C ATOM 273 C ALA A 35 -10.804 5.394 -5.062 1.00 0.48 C ATOM 274 O ALA A 35 -10.082 6.382 -5.131 1.00 0.50 O ATOM 275 CB ALA A 35 -11.482 4.600 -2.795 1.00 0.42 C ATOM 0 H ALA A 35 -13.334 3.786 -4.198 1.00 0.43 H new ATOM 0 HA ALA A 35 -12.189 6.353 -3.769 1.00 0.44 H new ATOM 0 HB1 ALA A 35 -10.595 5.085 -2.388 1.00 0.42 H new ATOM 0 HB2 ALA A 35 -12.280 4.622 -2.053 1.00 0.42 H new ATOM 0 HB3 ALA A 35 -11.247 3.565 -3.045 1.00 0.42 H new ATOM 281 N ASN A 36 -10.664 4.344 -5.865 1.00 0.53 N ATOM 282 CA ASN A 36 -9.708 4.356 -6.971 1.00 0.61 C ATOM 283 C ASN A 36 -10.085 5.461 -7.949 1.00 0.63 C ATOM 284 O ASN A 36 -9.224 6.107 -8.550 1.00 0.67 O ATOM 285 CB ASN A 36 -9.683 3.012 -7.710 1.00 0.69 C ATOM 286 CG ASN A 36 -9.282 1.833 -6.837 1.00 1.28 C ATOM 287 OD1 ASN A 36 -9.720 0.708 -7.071 1.00 1.88 O ATOM 288 ND2 ASN A 36 -8.465 2.074 -5.823 1.00 2.01 N ATOM 0 H ASN A 36 -11.196 3.478 -5.773 1.00 0.53 H new ATOM 0 HA ASN A 36 -8.715 4.534 -6.559 1.00 0.61 H new ATOM 0 HB2 ASN A 36 -10.671 2.821 -8.129 1.00 0.69 H new ATOM 0 HB3 ASN A 36 -8.990 3.083 -8.548 1.00 0.69 H new ATOM 0 HD21 ASN A 36 -8.180 1.313 -5.206 1.00 2.01 H new ATOM 0 HD22 ASN A 36 -8.121 3.020 -5.659 1.00 2.01 H new ATOM 295 N ASP A 37 -11.389 5.671 -8.085 1.00 0.63 N ATOM 296 CA ASP A 37 -11.933 6.716 -8.942 1.00 0.68 C ATOM 297 C ASP A 37 -11.658 8.087 -8.340 1.00 0.65 C ATOM 298 O ASP A 37 -11.376 9.034 -9.060 1.00 0.68 O ATOM 299 CB ASP A 37 -13.442 6.512 -9.128 1.00 0.73 C ATOM 300 CG ASP A 37 -14.003 7.297 -10.297 1.00 0.90 C ATOM 301 OD1 ASP A 37 -14.000 6.766 -11.429 1.00 1.05 O ATOM 302 OD2 ASP A 37 -14.474 8.436 -10.091 1.00 1.04 O ATOM 0 H ASP A 37 -12.100 5.120 -7.603 1.00 0.63 H new ATOM 0 HA ASP A 37 -11.448 6.659 -9.916 1.00 0.68 H new ATOM 0 HB2 ASP A 37 -13.644 5.452 -9.278 1.00 0.73 H new ATOM 0 HB3 ASP A 37 -13.959 6.809 -8.216 1.00 0.73 H new ATOM 307 N TYR A 38 -11.729 8.185 -7.016 1.00 0.60 N ATOM 308 CA TYR A 38 -11.418 9.430 -6.323 1.00 0.58 C ATOM 309 C TYR A 38 -9.918 9.684 -6.294 1.00 0.57 C ATOM 310 O TYR A 38 -9.478 10.829 -6.321 1.00 0.57 O ATOM 311 CB TYR A 38 -12.007 9.441 -4.915 1.00 0.54 C ATOM 312 CG TYR A 38 -13.437 9.928 -4.889 1.00 0.56 C ATOM 313 CD1 TYR A 38 -13.723 11.281 -4.765 1.00 0.59 C ATOM 314 CD2 TYR A 38 -14.499 9.044 -5.007 1.00 0.63 C ATOM 315 CE1 TYR A 38 -15.025 11.737 -4.752 1.00 0.63 C ATOM 316 CE2 TYR A 38 -15.805 9.492 -5.000 1.00 0.67 C ATOM 317 CZ TYR A 38 -16.063 10.839 -4.871 1.00 0.65 C ATOM 318 OH TYR A 38 -17.363 11.291 -4.863 1.00 0.71 O ATOM 0 H TYR A 38 -11.999 7.417 -6.402 1.00 0.60 H new ATOM 0 HA TYR A 38 -11.881 10.244 -6.881 1.00 0.58 H new ATOM 0 HB2 TYR A 38 -11.962 8.435 -4.498 1.00 0.54 H new ATOM 0 HB3 TYR A 38 -11.398 10.079 -4.275 1.00 0.54 H new ATOM 0 HD1 TYR A 38 -12.912 11.989 -4.677 1.00 0.59 H new ATOM 0 HD2 TYR A 38 -14.301 7.987 -5.106 1.00 0.63 H new ATOM 0 HE1 TYR A 38 -15.229 12.792 -4.649 1.00 0.63 H new ATOM 0 HE2 TYR A 38 -16.620 8.790 -5.095 1.00 0.67 H new ATOM 0 HH TYR A 38 -17.974 10.531 -4.957 1.00 0.71 H new ATOM 328 N PHE A 39 -9.134 8.618 -6.280 1.00 0.57 N ATOM 329 CA PHE A 39 -7.693 8.732 -6.398 1.00 0.57 C ATOM 330 C PHE A 39 -7.377 9.348 -7.751 1.00 0.63 C ATOM 331 O PHE A 39 -6.538 10.239 -7.885 1.00 0.67 O ATOM 332 CB PHE A 39 -7.062 7.341 -6.269 1.00 0.58 C ATOM 333 CG PHE A 39 -5.597 7.295 -6.581 1.00 0.58 C ATOM 334 CD1 PHE A 39 -5.161 7.081 -7.879 1.00 0.70 C ATOM 335 CD2 PHE A 39 -4.660 7.455 -5.578 1.00 0.55 C ATOM 336 CE1 PHE A 39 -3.815 7.033 -8.170 1.00 0.73 C ATOM 337 CE2 PHE A 39 -3.312 7.407 -5.860 1.00 0.59 C ATOM 338 CZ PHE A 39 -2.886 7.194 -7.159 1.00 0.65 C ATOM 0 H PHE A 39 -9.475 7.661 -6.188 1.00 0.57 H new ATOM 0 HA PHE A 39 -7.286 9.364 -5.609 1.00 0.57 H new ATOM 0 HB2 PHE A 39 -7.216 6.978 -5.253 1.00 0.58 H new ATOM 0 HB3 PHE A 39 -7.585 6.655 -6.935 1.00 0.58 H new ATOM 0 HD1 PHE A 39 -5.884 6.950 -8.671 1.00 0.70 H new ATOM 0 HD2 PHE A 39 -4.988 7.619 -4.562 1.00 0.55 H new ATOM 0 HE1 PHE A 39 -3.486 6.870 -9.186 1.00 0.73 H new ATOM 0 HE2 PHE A 39 -2.589 7.535 -5.068 1.00 0.59 H new ATOM 0 HZ PHE A 39 -1.830 7.154 -7.383 1.00 0.65 H new ATOM 348 N LYS A 40 -8.114 8.868 -8.733 1.00 0.66 N ATOM 349 CA LYS A 40 -8.044 9.341 -10.100 1.00 0.74 C ATOM 350 C LYS A 40 -8.682 10.729 -10.219 1.00 0.73 C ATOM 351 O LYS A 40 -8.337 11.514 -11.102 1.00 0.79 O ATOM 352 CB LYS A 40 -8.770 8.312 -10.963 1.00 0.82 C ATOM 353 CG LYS A 40 -8.941 8.663 -12.421 1.00 1.18 C ATOM 354 CD LYS A 40 -9.775 7.590 -13.094 1.00 1.09 C ATOM 355 CE LYS A 40 -10.195 7.981 -14.500 1.00 1.56 C ATOM 356 NZ LYS A 40 -9.046 7.980 -15.446 1.00 2.26 N ATOM 0 H LYS A 40 -8.794 8.120 -8.598 1.00 0.66 H new ATOM 0 HA LYS A 40 -7.011 9.445 -10.431 1.00 0.74 H new ATOM 0 HB2 LYS A 40 -8.228 7.369 -10.900 1.00 0.82 H new ATOM 0 HB3 LYS A 40 -9.757 8.141 -10.534 1.00 0.82 H new ATOM 0 HG2 LYS A 40 -9.426 9.634 -12.520 1.00 1.18 H new ATOM 0 HG3 LYS A 40 -7.968 8.742 -12.906 1.00 1.18 H new ATOM 0 HD2 LYS A 40 -9.205 6.662 -13.133 1.00 1.09 H new ATOM 0 HD3 LYS A 40 -10.663 7.394 -12.494 1.00 1.09 H new ATOM 0 HE2 LYS A 40 -10.958 7.289 -14.856 1.00 1.56 H new ATOM 0 HE3 LYS A 40 -10.648 8.972 -14.481 1.00 1.56 H new ATOM 0 HZ1 LYS A 40 -9.376 8.252 -16.394 1.00 2.26 H new ATOM 0 HZ2 LYS A 40 -8.328 8.659 -15.121 1.00 2.26 H new ATOM 0 HZ3 LYS A 40 -8.629 7.028 -15.485 1.00 2.26 H new ATOM 370 N ALA A 41 -9.600 11.028 -9.303 1.00 0.68 N ATOM 371 CA ALA A 41 -10.281 12.318 -9.271 1.00 0.70 C ATOM 372 C ALA A 41 -9.478 13.335 -8.475 1.00 0.71 C ATOM 373 O ALA A 41 -9.901 14.482 -8.312 1.00 0.78 O ATOM 374 CB ALA A 41 -11.667 12.184 -8.668 1.00 0.68 C ATOM 0 H ALA A 41 -9.891 10.386 -8.566 1.00 0.68 H new ATOM 0 HA ALA A 41 -10.374 12.666 -10.300 1.00 0.70 H new ATOM 0 HB1 ALA A 41 -12.154 13.159 -8.655 1.00 0.68 H new ATOM 0 HB2 ALA A 41 -12.258 11.491 -9.266 1.00 0.68 H new ATOM 0 HB3 ALA A 41 -11.585 11.806 -7.649 1.00 0.68 H new ATOM 380 N LYS A 42 -8.342 12.876 -7.946 1.00 0.68 N ATOM 381 CA LYS A 42 -7.373 13.726 -7.251 1.00 0.70 C ATOM 382 C LYS A 42 -7.793 13.975 -5.801 1.00 0.66 C ATOM 383 O LYS A 42 -7.256 14.864 -5.140 1.00 0.70 O ATOM 384 CB LYS A 42 -7.172 15.072 -7.972 1.00 0.82 C ATOM 385 CG LYS A 42 -6.829 14.979 -9.460 1.00 0.96 C ATOM 386 CD LYS A 42 -5.481 14.319 -9.731 1.00 1.41 C ATOM 387 CE LYS A 42 -5.587 12.802 -9.783 1.00 1.57 C ATOM 388 NZ LYS A 42 -4.381 12.182 -10.385 1.00 2.30 N ATOM 0 H LYS A 42 -8.066 11.895 -7.988 1.00 0.68 H new ATOM 0 HA LYS A 42 -6.425 13.189 -7.257 1.00 0.70 H new ATOM 0 HB2 LYS A 42 -8.082 15.662 -7.863 1.00 0.82 H new ATOM 0 HB3 LYS A 42 -6.376 15.619 -7.467 1.00 0.82 H new ATOM 0 HG2 LYS A 42 -7.610 14.416 -9.971 1.00 0.96 H new ATOM 0 HG3 LYS A 42 -6.827 15.981 -9.888 1.00 0.96 H new ATOM 0 HD2 LYS A 42 -5.081 14.687 -10.676 1.00 1.41 H new ATOM 0 HD3 LYS A 42 -4.774 14.606 -8.953 1.00 1.41 H new ATOM 0 HE2 LYS A 42 -5.730 12.414 -8.775 1.00 1.57 H new ATOM 0 HE3 LYS A 42 -6.467 12.519 -10.361 1.00 1.57 H new ATOM 0 HZ1 LYS A 42 -4.494 11.148 -10.402 1.00 2.30 H new ATOM 0 HZ2 LYS A 42 -4.259 12.533 -11.356 1.00 2.30 H new ATOM 0 HZ3 LYS A 42 -3.544 12.430 -9.819 1.00 2.30 H new ATOM 402 N ASP A 43 -8.736 13.184 -5.301 1.00 0.61 N ATOM 403 CA ASP A 43 -9.183 13.322 -3.919 1.00 0.58 C ATOM 404 C ASP A 43 -8.829 12.081 -3.118 1.00 0.52 C ATOM 405 O ASP A 43 -9.547 11.076 -3.138 1.00 0.54 O ATOM 406 CB ASP A 43 -10.682 13.560 -3.828 1.00 0.61 C ATOM 407 CG ASP A 43 -11.064 14.168 -2.494 1.00 0.61 C ATOM 408 OD1 ASP A 43 -10.996 13.463 -1.469 1.00 0.60 O ATOM 409 OD2 ASP A 43 -11.435 15.359 -2.462 1.00 0.73 O ATOM 0 H ASP A 43 -9.203 12.446 -5.827 1.00 0.61 H new ATOM 0 HA ASP A 43 -8.670 14.190 -3.505 1.00 0.58 H new ATOM 0 HB2 ASP A 43 -10.997 14.222 -4.635 1.00 0.61 H new ATOM 0 HB3 ASP A 43 -11.211 12.617 -3.965 1.00 0.61 H new ATOM 414 N TYR A 44 -7.723 12.153 -2.407 1.00 0.48 N ATOM 415 CA TYR A 44 -7.216 11.005 -1.686 1.00 0.45 C ATOM 416 C TYR A 44 -7.957 10.798 -0.370 1.00 0.44 C ATOM 417 O TYR A 44 -7.958 9.698 0.172 1.00 0.43 O ATOM 418 CB TYR A 44 -5.720 11.172 -1.445 1.00 0.45 C ATOM 419 CG TYR A 44 -4.953 11.485 -2.713 1.00 0.48 C ATOM 420 CD1 TYR A 44 -4.836 10.542 -3.727 1.00 0.49 C ATOM 421 CD2 TYR A 44 -4.356 12.727 -2.901 1.00 0.57 C ATOM 422 CE1 TYR A 44 -4.142 10.825 -4.888 1.00 0.57 C ATOM 423 CE2 TYR A 44 -3.661 13.017 -4.061 1.00 0.65 C ATOM 424 CZ TYR A 44 -3.558 12.062 -5.051 1.00 0.64 C ATOM 425 OH TYR A 44 -2.858 12.342 -6.202 1.00 0.75 O ATOM 0 H TYR A 44 -7.157 12.996 -2.313 1.00 0.48 H new ATOM 0 HA TYR A 44 -7.384 10.115 -2.293 1.00 0.45 H new ATOM 0 HB2 TYR A 44 -5.560 11.972 -0.722 1.00 0.45 H new ATOM 0 HB3 TYR A 44 -5.324 10.258 -1.002 1.00 0.45 H new ATOM 0 HD1 TYR A 44 -5.295 9.572 -3.606 1.00 0.49 H new ATOM 0 HD2 TYR A 44 -4.436 13.477 -2.128 1.00 0.57 H new ATOM 0 HE1 TYR A 44 -4.058 10.079 -5.665 1.00 0.57 H new ATOM 0 HE2 TYR A 44 -3.202 13.986 -4.191 1.00 0.65 H new ATOM 0 HH TYR A 44 -2.510 13.257 -6.159 1.00 0.75 H new ATOM 435 N GLU A 45 -8.608 11.842 0.132 1.00 0.48 N ATOM 436 CA GLU A 45 -9.338 11.733 1.388 1.00 0.50 C ATOM 437 C GLU A 45 -10.634 11.014 1.198 1.00 0.46 C ATOM 438 O GLU A 45 -10.997 10.152 1.998 1.00 0.43 O ATOM 439 CB GLU A 45 -9.626 13.084 1.996 1.00 0.61 C ATOM 440 CG GLU A 45 -8.393 13.726 2.528 1.00 0.76 C ATOM 441 CD GLU A 45 -8.687 14.824 3.524 1.00 0.87 C ATOM 442 OE1 GLU A 45 -8.909 14.518 4.713 1.00 1.47 O ATOM 443 OE2 GLU A 45 -8.678 16.008 3.124 1.00 1.17 O ATOM 0 H GLU A 45 -8.645 12.762 -0.306 1.00 0.48 H new ATOM 0 HA GLU A 45 -8.696 11.169 2.064 1.00 0.50 H new ATOM 0 HB2 GLU A 45 -10.078 13.732 1.245 1.00 0.61 H new ATOM 0 HB3 GLU A 45 -10.354 12.973 2.800 1.00 0.61 H new ATOM 0 HG2 GLU A 45 -7.770 12.968 3.003 1.00 0.76 H new ATOM 0 HG3 GLU A 45 -7.817 14.138 1.699 1.00 0.76 H new ATOM 450 N ASN A 46 -11.352 11.380 0.159 1.00 0.48 N ATOM 451 CA ASN A 46 -12.580 10.702 -0.126 1.00 0.48 C ATOM 452 C ASN A 46 -12.276 9.249 -0.426 1.00 0.43 C ATOM 453 O ASN A 46 -13.035 8.354 -0.062 1.00 0.43 O ATOM 454 CB ASN A 46 -13.338 11.338 -1.291 1.00 0.53 C ATOM 455 CG ASN A 46 -14.217 12.495 -0.872 1.00 0.60 C ATOM 456 OD1 ASN A 46 -15.399 12.318 -0.590 1.00 0.66 O ATOM 457 ND2 ASN A 46 -13.650 13.684 -0.830 1.00 0.63 N ATOM 0 H ASN A 46 -11.106 12.130 -0.487 1.00 0.48 H new ATOM 0 HA ASN A 46 -13.226 10.782 0.748 1.00 0.48 H new ATOM 0 HB2 ASN A 46 -12.621 11.686 -2.035 1.00 0.53 H new ATOM 0 HB3 ASN A 46 -13.954 10.579 -1.773 1.00 0.53 H new ATOM 0 HD21 ASN A 46 -14.197 14.500 -0.555 1.00 0.63 H new ATOM 0 HD22 ASN A 46 -12.665 13.788 -1.072 1.00 0.63 H new ATOM 464 N ALA A 47 -11.138 9.034 -1.080 1.00 0.41 N ATOM 465 CA ALA A 47 -10.620 7.696 -1.289 1.00 0.38 C ATOM 466 C ALA A 47 -10.438 6.985 0.056 1.00 0.34 C ATOM 467 O ALA A 47 -10.977 5.899 0.262 1.00 0.32 O ATOM 468 CB ALA A 47 -9.311 7.759 -2.062 1.00 0.40 C ATOM 0 H ALA A 47 -10.559 9.776 -1.474 1.00 0.41 H new ATOM 0 HA ALA A 47 -11.334 7.122 -1.879 1.00 0.38 H new ATOM 0 HB1 ALA A 47 -8.929 6.749 -2.214 1.00 0.40 H new ATOM 0 HB2 ALA A 47 -9.482 8.232 -3.029 1.00 0.40 H new ATOM 0 HB3 ALA A 47 -8.583 8.341 -1.497 1.00 0.40 H new ATOM 474 N ILE A 48 -9.698 7.622 0.972 1.00 0.34 N ATOM 475 CA ILE A 48 -9.524 7.116 2.343 1.00 0.32 C ATOM 476 C ILE A 48 -10.872 6.741 2.960 1.00 0.29 C ATOM 477 O ILE A 48 -11.031 5.666 3.540 1.00 0.28 O ATOM 478 CB ILE A 48 -8.840 8.175 3.249 1.00 0.35 C ATOM 479 CG1 ILE A 48 -7.396 8.412 2.811 1.00 0.37 C ATOM 480 CG2 ILE A 48 -8.879 7.755 4.712 1.00 0.39 C ATOM 481 CD1 ILE A 48 -6.711 9.544 3.549 1.00 0.42 C ATOM 0 H ILE A 48 -9.206 8.496 0.788 1.00 0.34 H new ATOM 0 HA ILE A 48 -8.890 6.231 2.280 1.00 0.32 H new ATOM 0 HB ILE A 48 -9.396 9.107 3.144 1.00 0.35 H new ATOM 0 HG12 ILE A 48 -6.826 7.495 2.961 1.00 0.37 H new ATOM 0 HG13 ILE A 48 -7.381 8.626 1.742 1.00 0.37 H new ATOM 0 HG21 ILE A 48 -8.393 8.516 5.322 1.00 0.39 H new ATOM 0 HG22 ILE A 48 -9.915 7.642 5.031 1.00 0.39 H new ATOM 0 HG23 ILE A 48 -8.357 6.806 4.832 1.00 0.39 H new ATOM 0 HD11 ILE A 48 -5.690 9.651 3.183 1.00 0.42 H new ATOM 0 HD12 ILE A 48 -7.257 10.472 3.379 1.00 0.42 H new ATOM 0 HD13 ILE A 48 -6.693 9.324 4.616 1.00 0.42 H new ATOM 493 N LYS A 49 -11.827 7.645 2.819 1.00 0.31 N ATOM 494 CA LYS A 49 -13.174 7.463 3.340 1.00 0.32 C ATOM 495 C LYS A 49 -13.823 6.197 2.791 1.00 0.27 C ATOM 496 O LYS A 49 -14.332 5.375 3.553 1.00 0.27 O ATOM 497 CB LYS A 49 -14.012 8.691 2.987 1.00 0.39 C ATOM 498 CG LYS A 49 -15.495 8.558 3.288 1.00 0.44 C ATOM 499 CD LYS A 49 -16.181 9.908 3.173 1.00 0.63 C ATOM 500 CE LYS A 49 -16.287 10.362 1.732 1.00 1.02 C ATOM 501 NZ LYS A 49 -16.765 11.767 1.637 1.00 1.50 N ATOM 0 H LYS A 49 -11.690 8.533 2.336 1.00 0.31 H new ATOM 0 HA LYS A 49 -13.118 7.351 4.423 1.00 0.32 H new ATOM 0 HB2 LYS A 49 -13.620 9.550 3.532 1.00 0.39 H new ATOM 0 HB3 LYS A 49 -13.889 8.905 1.925 1.00 0.39 H new ATOM 0 HG2 LYS A 49 -15.951 7.851 2.595 1.00 0.44 H new ATOM 0 HG3 LYS A 49 -15.634 8.156 4.292 1.00 0.44 H new ATOM 0 HD2 LYS A 49 -17.178 9.848 3.610 1.00 0.63 H new ATOM 0 HD3 LYS A 49 -15.625 10.649 3.748 1.00 0.63 H new ATOM 0 HE2 LYS A 49 -15.314 10.274 1.249 1.00 1.02 H new ATOM 0 HE3 LYS A 49 -16.971 9.707 1.192 1.00 1.02 H new ATOM 0 HZ1 LYS A 49 -16.291 12.242 0.842 1.00 1.50 H new ATOM 0 HZ2 LYS A 49 -17.793 11.774 1.481 1.00 1.50 H new ATOM 0 HZ3 LYS A 49 -16.546 12.269 2.521 1.00 1.50 H new ATOM 515 N PHE A 50 -13.787 6.029 1.476 1.00 0.27 N ATOM 516 CA PHE A 50 -14.431 4.886 0.848 1.00 0.27 C ATOM 517 C PHE A 50 -13.664 3.597 1.119 1.00 0.23 C ATOM 518 O PHE A 50 -14.259 2.523 1.185 1.00 0.25 O ATOM 519 CB PHE A 50 -14.615 5.118 -0.651 1.00 0.35 C ATOM 520 CG PHE A 50 -15.628 6.188 -0.946 1.00 0.43 C ATOM 521 CD1 PHE A 50 -16.921 6.083 -0.458 1.00 0.56 C ATOM 522 CD2 PHE A 50 -15.285 7.303 -1.688 1.00 0.71 C ATOM 523 CE1 PHE A 50 -17.854 7.067 -0.712 1.00 0.65 C ATOM 524 CE2 PHE A 50 -16.214 8.293 -1.943 1.00 0.81 C ATOM 525 CZ PHE A 50 -17.500 8.175 -1.455 1.00 0.66 C ATOM 0 H PHE A 50 -13.322 6.665 0.828 1.00 0.27 H new ATOM 0 HA PHE A 50 -15.420 4.776 1.293 1.00 0.27 H new ATOM 0 HB2 PHE A 50 -13.658 5.396 -1.093 1.00 0.35 H new ATOM 0 HB3 PHE A 50 -14.926 4.187 -1.124 1.00 0.35 H new ATOM 0 HD1 PHE A 50 -17.202 5.220 0.128 1.00 0.56 H new ATOM 0 HD2 PHE A 50 -14.280 7.401 -2.072 1.00 0.71 H new ATOM 0 HE1 PHE A 50 -18.860 6.971 -0.330 1.00 0.65 H new ATOM 0 HE2 PHE A 50 -15.934 9.159 -2.524 1.00 0.81 H new ATOM 0 HZ PHE A 50 -18.227 8.948 -1.654 1.00 0.66 H new ATOM 535 N TYR A 51 -12.351 3.698 1.302 1.00 0.23 N ATOM 536 CA TYR A 51 -11.570 2.537 1.713 1.00 0.25 C ATOM 537 C TYR A 51 -11.996 2.103 3.108 1.00 0.21 C ATOM 538 O TYR A 51 -12.145 0.915 3.384 1.00 0.23 O ATOM 539 CB TYR A 51 -10.062 2.820 1.706 1.00 0.31 C ATOM 540 CG TYR A 51 -9.462 3.021 0.330 1.00 0.43 C ATOM 541 CD1 TYR A 51 -9.744 2.146 -0.714 1.00 0.53 C ATOM 542 CD2 TYR A 51 -8.616 4.092 0.077 1.00 0.51 C ATOM 543 CE1 TYR A 51 -9.195 2.335 -1.968 1.00 0.67 C ATOM 544 CE2 TYR A 51 -8.067 4.289 -1.174 1.00 0.65 C ATOM 545 CZ TYR A 51 -8.360 3.409 -2.192 1.00 0.72 C ATOM 546 OH TYR A 51 -7.819 3.611 -3.440 1.00 0.88 O ATOM 0 H TYR A 51 -11.813 4.555 1.175 1.00 0.23 H new ATOM 0 HA TYR A 51 -11.761 1.742 0.992 1.00 0.25 H new ATOM 0 HB2 TYR A 51 -9.871 3.711 2.305 1.00 0.31 H new ATOM 0 HB3 TYR A 51 -9.548 1.992 2.194 1.00 0.31 H new ATOM 0 HD1 TYR A 51 -10.402 1.307 -0.542 1.00 0.53 H new ATOM 0 HD2 TYR A 51 -8.383 4.784 0.873 1.00 0.51 H new ATOM 0 HE1 TYR A 51 -9.419 1.645 -2.768 1.00 0.67 H new ATOM 0 HE2 TYR A 51 -7.411 5.128 -1.353 1.00 0.65 H new ATOM 0 HH TYR A 51 -6.888 3.903 -3.350 1.00 0.88 H new ATOM 556 N SER A 52 -12.216 3.081 3.975 1.00 0.20 N ATOM 557 CA SER A 52 -12.627 2.814 5.343 1.00 0.22 C ATOM 558 C SER A 52 -14.016 2.198 5.366 1.00 0.22 C ATOM 559 O SER A 52 -14.266 1.222 6.070 1.00 0.23 O ATOM 560 CB SER A 52 -12.611 4.106 6.153 1.00 0.25 C ATOM 561 OG SER A 52 -11.341 4.737 6.067 1.00 0.56 O ATOM 0 H SER A 52 -12.116 4.071 3.752 1.00 0.20 H new ATOM 0 HA SER A 52 -11.926 2.108 5.789 1.00 0.22 H new ATOM 0 HB2 SER A 52 -13.384 4.781 5.785 1.00 0.25 H new ATOM 0 HB3 SER A 52 -12.846 3.890 7.195 1.00 0.25 H new ATOM 0 HG SER A 52 -11.246 5.163 5.189 1.00 0.56 H new ATOM 567 N GLN A 53 -14.911 2.764 4.566 1.00 0.24 N ATOM 568 CA GLN A 53 -16.260 2.236 4.434 1.00 0.27 C ATOM 569 C GLN A 53 -16.224 0.785 3.937 1.00 0.26 C ATOM 570 O GLN A 53 -17.040 -0.045 4.338 1.00 0.30 O ATOM 571 CB GLN A 53 -17.075 3.113 3.482 1.00 0.31 C ATOM 572 CG GLN A 53 -17.419 4.484 4.038 1.00 0.37 C ATOM 573 CD GLN A 53 -18.323 5.275 3.111 1.00 0.49 C ATOM 574 OE1 GLN A 53 -19.117 4.710 2.354 1.00 1.12 O ATOM 575 NE2 GLN A 53 -18.216 6.593 3.166 1.00 0.94 N ATOM 0 H GLN A 53 -14.725 3.591 3.998 1.00 0.24 H new ATOM 0 HA GLN A 53 -16.738 2.247 5.413 1.00 0.27 H new ATOM 0 HB2 GLN A 53 -16.516 3.239 2.555 1.00 0.31 H new ATOM 0 HB3 GLN A 53 -17.999 2.594 3.229 1.00 0.31 H new ATOM 0 HG2 GLN A 53 -17.907 4.368 5.006 1.00 0.37 H new ATOM 0 HG3 GLN A 53 -16.500 5.044 4.210 1.00 0.37 H new ATOM 0 HE21 GLN A 53 -17.548 7.024 3.805 1.00 0.94 H new ATOM 0 HE22 GLN A 53 -18.802 7.178 2.570 1.00 0.94 H new ATOM 584 N ALA A 54 -15.254 0.482 3.082 1.00 0.23 N ATOM 585 CA ALA A 54 -15.064 -0.875 2.585 1.00 0.24 C ATOM 586 C ALA A 54 -14.652 -1.815 3.717 1.00 0.23 C ATOM 587 O ALA A 54 -14.980 -3.000 3.701 1.00 0.25 O ATOM 588 CB ALA A 54 -14.026 -0.887 1.474 1.00 0.25 C ATOM 0 H ALA A 54 -14.585 1.160 2.718 1.00 0.23 H new ATOM 0 HA ALA A 54 -16.012 -1.230 2.180 1.00 0.24 H new ATOM 0 HB1 ALA A 54 -13.893 -1.906 1.111 1.00 0.25 H new ATOM 0 HB2 ALA A 54 -14.362 -0.251 0.655 1.00 0.25 H new ATOM 0 HB3 ALA A 54 -13.077 -0.512 1.858 1.00 0.25 H new ATOM 594 N ILE A 55 -13.952 -1.261 4.703 1.00 0.22 N ATOM 595 CA ILE A 55 -13.522 -2.016 5.883 1.00 0.22 C ATOM 596 C ILE A 55 -14.684 -2.155 6.864 1.00 0.24 C ATOM 597 O ILE A 55 -14.644 -2.928 7.825 1.00 0.27 O ATOM 598 CB ILE A 55 -12.341 -1.315 6.591 1.00 0.23 C ATOM 599 CG1 ILE A 55 -11.222 -1.020 5.596 1.00 0.24 C ATOM 600 CG2 ILE A 55 -11.810 -2.166 7.738 1.00 0.27 C ATOM 601 CD1 ILE A 55 -10.213 -0.021 6.111 1.00 0.28 C ATOM 0 H ILE A 55 -13.667 -0.282 4.710 1.00 0.22 H new ATOM 0 HA ILE A 55 -13.196 -3.002 5.551 1.00 0.22 H new ATOM 0 HB ILE A 55 -12.706 -0.374 7.002 1.00 0.23 H new ATOM 0 HG12 ILE A 55 -10.709 -1.950 5.350 1.00 0.24 H new ATOM 0 HG13 ILE A 55 -11.658 -0.642 4.671 1.00 0.24 H new ATOM 0 HG21 ILE A 55 -10.979 -1.650 8.220 1.00 0.27 H new ATOM 0 HG22 ILE A 55 -12.604 -2.333 8.465 1.00 0.27 H new ATOM 0 HG23 ILE A 55 -11.466 -3.125 7.351 1.00 0.27 H new ATOM 0 HD11 ILE A 55 -9.445 0.143 5.355 1.00 0.28 H new ATOM 0 HD12 ILE A 55 -10.714 0.922 6.330 1.00 0.28 H new ATOM 0 HD13 ILE A 55 -9.751 -0.406 7.020 1.00 0.28 H new ATOM 613 N GLU A 56 -15.717 -1.378 6.623 1.00 0.27 N ATOM 614 CA GLU A 56 -16.931 -1.471 7.406 1.00 0.31 C ATOM 615 C GLU A 56 -17.849 -2.534 6.816 1.00 0.31 C ATOM 616 O GLU A 56 -18.734 -3.057 7.493 1.00 0.34 O ATOM 617 CB GLU A 56 -17.628 -0.111 7.426 1.00 0.34 C ATOM 618 CG GLU A 56 -16.739 1.014 7.928 1.00 0.36 C ATOM 619 CD GLU A 56 -16.574 0.996 9.435 1.00 0.45 C ATOM 620 OE1 GLU A 56 -15.812 0.153 9.951 1.00 0.81 O ATOM 621 OE2 GLU A 56 -17.225 1.814 10.113 1.00 0.78 O ATOM 0 H GLU A 56 -15.741 -0.671 5.888 1.00 0.27 H new ATOM 0 HA GLU A 56 -16.685 -1.757 8.429 1.00 0.31 H new ATOM 0 HB2 GLU A 56 -17.971 0.128 6.419 1.00 0.34 H new ATOM 0 HB3 GLU A 56 -18.514 -0.174 8.058 1.00 0.34 H new ATOM 0 HG2 GLU A 56 -15.759 0.936 7.458 1.00 0.36 H new ATOM 0 HG3 GLU A 56 -17.163 1.971 7.624 1.00 0.36 H new ATOM 628 N LEU A 57 -17.633 -2.840 5.546 1.00 0.31 N ATOM 629 CA LEU A 57 -18.432 -3.843 4.858 1.00 0.33 C ATOM 630 C LEU A 57 -17.763 -5.213 4.923 1.00 0.33 C ATOM 631 O LEU A 57 -18.392 -6.194 5.318 1.00 0.40 O ATOM 632 CB LEU A 57 -18.664 -3.408 3.420 1.00 0.34 C ATOM 633 CG LEU A 57 -19.212 -1.988 3.288 1.00 0.35 C ATOM 634 CD1 LEU A 57 -19.305 -1.586 1.841 1.00 0.37 C ATOM 635 CD2 LEU A 57 -20.570 -1.867 3.952 1.00 0.40 C ATOM 0 H LEU A 57 -16.910 -2.408 4.970 1.00 0.31 H new ATOM 0 HA LEU A 57 -19.397 -3.933 5.356 1.00 0.33 H new ATOM 0 HB2 LEU A 57 -17.724 -3.477 2.873 1.00 0.34 H new ATOM 0 HB3 LEU A 57 -19.360 -4.102 2.948 1.00 0.34 H new ATOM 0 HG LEU A 57 -18.520 -1.315 3.794 1.00 0.35 H new ATOM 0 HD11 LEU A 57 -19.698 -0.572 1.770 1.00 0.37 H new ATOM 0 HD12 LEU A 57 -18.314 -1.624 1.388 1.00 0.37 H new ATOM 0 HD13 LEU A 57 -19.971 -2.270 1.315 1.00 0.37 H new ATOM 0 HD21 LEU A 57 -20.938 -0.847 3.844 1.00 0.40 H new ATOM 0 HD22 LEU A 57 -21.269 -2.557 3.479 1.00 0.40 H new ATOM 0 HD23 LEU A 57 -20.480 -2.110 5.011 1.00 0.40 H new ATOM 647 N ASN A 58 -16.492 -5.291 4.543 1.00 0.29 N ATOM 648 CA ASN A 58 -15.722 -6.498 4.799 1.00 0.30 C ATOM 649 C ASN A 58 -14.614 -6.101 5.770 1.00 0.30 C ATOM 650 O ASN A 58 -14.413 -4.917 5.986 1.00 0.34 O ATOM 651 CB ASN A 58 -15.127 -7.000 3.466 1.00 0.35 C ATOM 652 CG ASN A 58 -14.803 -8.486 3.448 1.00 0.59 C ATOM 653 OD1 ASN A 58 -15.517 -9.301 4.027 1.00 1.53 O ATOM 654 ND2 ASN A 58 -13.712 -8.847 2.797 1.00 0.57 N ATOM 0 H ASN A 58 -15.983 -4.547 4.066 1.00 0.29 H new ATOM 0 HA ASN A 58 -16.331 -7.298 5.221 1.00 0.30 H new ATOM 0 HB2 ASN A 58 -15.831 -6.783 2.662 1.00 0.35 H new ATOM 0 HB3 ASN A 58 -14.217 -6.439 3.253 1.00 0.35 H new ATOM 0 HD21 ASN A 58 -13.439 -9.829 2.764 1.00 0.57 H new ATOM 0 HD22 ASN A 58 -13.142 -8.143 2.327 1.00 0.57 H new ATOM 661 N PRO A 59 -13.858 -7.036 6.352 1.00 0.31 N ATOM 662 CA PRO A 59 -12.706 -6.694 7.165 1.00 0.35 C ATOM 663 C PRO A 59 -11.342 -6.995 6.526 1.00 0.35 C ATOM 664 O PRO A 59 -10.596 -6.084 6.167 1.00 0.35 O ATOM 665 CB PRO A 59 -12.962 -7.566 8.386 1.00 0.41 C ATOM 666 CG PRO A 59 -13.635 -8.802 7.848 1.00 0.41 C ATOM 667 CD PRO A 59 -14.155 -8.460 6.466 1.00 0.34 C ATOM 0 HA PRO A 59 -12.627 -5.623 7.351 1.00 0.35 H new ATOM 0 HB2 PRO A 59 -12.031 -7.814 8.896 1.00 0.41 H new ATOM 0 HB3 PRO A 59 -13.596 -7.055 9.110 1.00 0.41 H new ATOM 0 HG2 PRO A 59 -12.932 -9.634 7.800 1.00 0.41 H new ATOM 0 HG3 PRO A 59 -14.451 -9.112 8.501 1.00 0.41 H new ATOM 0 HD2 PRO A 59 -13.655 -9.041 5.691 1.00 0.34 H new ATOM 0 HD3 PRO A 59 -15.223 -8.659 6.375 1.00 0.34 H new ATOM 675 N SER A 60 -11.030 -8.279 6.382 1.00 0.44 N ATOM 676 CA SER A 60 -9.684 -8.721 6.049 1.00 0.49 C ATOM 677 C SER A 60 -9.362 -8.569 4.560 1.00 0.49 C ATOM 678 O SER A 60 -9.364 -9.545 3.807 1.00 0.68 O ATOM 679 CB SER A 60 -9.497 -10.179 6.489 1.00 0.63 C ATOM 680 OG SER A 60 -8.148 -10.599 6.360 1.00 1.52 O ATOM 0 H SER A 60 -11.702 -9.039 6.493 1.00 0.44 H new ATOM 0 HA SER A 60 -8.987 -8.078 6.586 1.00 0.49 H new ATOM 0 HB2 SER A 60 -9.815 -10.289 7.526 1.00 0.63 H new ATOM 0 HB3 SER A 60 -10.138 -10.825 5.889 1.00 0.63 H new ATOM 0 HG SER A 60 -8.066 -11.531 6.651 1.00 1.52 H new ATOM 686 N ASN A 61 -9.134 -7.335 4.138 1.00 0.43 N ATOM 687 CA ASN A 61 -8.579 -7.066 2.819 1.00 0.45 C ATOM 688 C ASN A 61 -7.344 -6.189 2.937 1.00 0.38 C ATOM 689 O ASN A 61 -7.444 -4.990 3.230 1.00 0.34 O ATOM 690 CB ASN A 61 -9.587 -6.383 1.893 1.00 0.48 C ATOM 691 CG ASN A 61 -10.683 -7.306 1.418 1.00 0.79 C ATOM 692 OD1 ASN A 61 -11.758 -7.351 2.000 1.00 1.76 O ATOM 693 ND2 ASN A 61 -10.413 -8.048 0.354 1.00 1.07 N ATOM 0 H ASN A 61 -9.325 -6.500 4.692 1.00 0.43 H new ATOM 0 HA ASN A 61 -8.318 -8.031 2.384 1.00 0.45 H new ATOM 0 HB2 ASN A 61 -10.035 -5.538 2.415 1.00 0.48 H new ATOM 0 HB3 ASN A 61 -9.060 -5.981 1.028 1.00 0.48 H new ATOM 0 HD21 ASN A 61 -11.116 -8.690 -0.012 1.00 1.07 H new ATOM 0 HD22 ASN A 61 -9.502 -7.977 -0.099 1.00 1.07 H new ATOM 700 N ALA A 62 -6.179 -6.779 2.707 1.00 0.42 N ATOM 701 CA ALA A 62 -4.935 -6.026 2.718 1.00 0.42 C ATOM 702 C ALA A 62 -4.949 -4.943 1.651 1.00 0.37 C ATOM 703 O ALA A 62 -4.235 -3.953 1.750 1.00 0.38 O ATOM 704 CB ALA A 62 -3.752 -6.945 2.497 1.00 0.52 C ATOM 0 H ALA A 62 -6.071 -7.774 2.511 1.00 0.42 H new ATOM 0 HA ALA A 62 -4.840 -5.554 3.696 1.00 0.42 H new ATOM 0 HB1 ALA A 62 -2.831 -6.362 2.509 1.00 0.52 H new ATOM 0 HB2 ALA A 62 -3.719 -7.692 3.290 1.00 0.52 H new ATOM 0 HB3 ALA A 62 -3.854 -7.443 1.533 1.00 0.52 H new ATOM 710 N ILE A 63 -5.770 -5.145 0.628 1.00 0.36 N ATOM 711 CA ILE A 63 -5.915 -4.165 -0.437 1.00 0.35 C ATOM 712 C ILE A 63 -6.574 -2.893 0.094 1.00 0.31 C ATOM 713 O ILE A 63 -6.146 -1.787 -0.223 1.00 0.34 O ATOM 714 CB ILE A 63 -6.725 -4.727 -1.636 1.00 0.43 C ATOM 715 CG1 ILE A 63 -5.888 -5.748 -2.419 1.00 0.57 C ATOM 716 CG2 ILE A 63 -7.188 -3.608 -2.562 1.00 0.49 C ATOM 717 CD1 ILE A 63 -5.847 -7.127 -1.801 1.00 0.74 C ATOM 0 H ILE A 63 -6.345 -5.980 0.515 1.00 0.36 H new ATOM 0 HA ILE A 63 -4.914 -3.927 -0.797 1.00 0.35 H new ATOM 0 HB ILE A 63 -7.608 -5.226 -1.237 1.00 0.43 H new ATOM 0 HG12 ILE A 63 -6.287 -5.828 -3.430 1.00 0.57 H new ATOM 0 HG13 ILE A 63 -4.869 -5.372 -2.508 1.00 0.57 H new ATOM 0 HG21 ILE A 63 -7.752 -4.033 -3.392 1.00 0.49 H new ATOM 0 HG22 ILE A 63 -7.823 -2.916 -2.008 1.00 0.49 H new ATOM 0 HG23 ILE A 63 -6.320 -3.074 -2.949 1.00 0.49 H new ATOM 0 HD11 ILE A 63 -5.235 -7.784 -2.418 1.00 0.74 H new ATOM 0 HD12 ILE A 63 -5.418 -7.065 -0.801 1.00 0.74 H new ATOM 0 HD13 ILE A 63 -6.859 -7.528 -1.738 1.00 0.74 H new ATOM 729 N TYR A 64 -7.588 -3.051 0.939 1.00 0.29 N ATOM 730 CA TYR A 64 -8.308 -1.900 1.477 1.00 0.28 C ATOM 731 C TYR A 64 -7.396 -1.074 2.376 1.00 0.30 C ATOM 732 O TYR A 64 -7.311 0.145 2.234 1.00 0.34 O ATOM 733 CB TYR A 64 -9.552 -2.337 2.254 1.00 0.26 C ATOM 734 CG TYR A 64 -10.613 -3.005 1.401 1.00 0.26 C ATOM 735 CD1 TYR A 64 -10.545 -2.975 0.013 1.00 0.28 C ATOM 736 CD2 TYR A 64 -11.680 -3.671 1.991 1.00 0.38 C ATOM 737 CE1 TYR A 64 -11.509 -3.590 -0.761 1.00 0.30 C ATOM 738 CE2 TYR A 64 -12.647 -4.290 1.222 1.00 0.43 C ATOM 739 CZ TYR A 64 -12.556 -4.247 -0.154 1.00 0.35 C ATOM 740 OH TYR A 64 -13.511 -4.865 -0.926 1.00 0.42 O ATOM 0 H TYR A 64 -7.928 -3.956 1.264 1.00 0.29 H new ATOM 0 HA TYR A 64 -8.630 -1.286 0.635 1.00 0.28 H new ATOM 0 HB2 TYR A 64 -9.251 -3.025 3.044 1.00 0.26 H new ATOM 0 HB3 TYR A 64 -9.988 -1.465 2.740 1.00 0.26 H new ATOM 0 HD1 TYR A 64 -9.725 -2.462 -0.468 1.00 0.28 H new ATOM 0 HD2 TYR A 64 -11.755 -3.706 3.068 1.00 0.38 H new ATOM 0 HE1 TYR A 64 -11.442 -3.556 -1.838 1.00 0.30 H new ATOM 0 HE2 TYR A 64 -13.470 -4.805 1.696 1.00 0.43 H new ATOM 0 HH TYR A 64 -14.180 -5.283 -0.345 1.00 0.42 H new ATOM 750 N TYR A 65 -6.705 -1.742 3.292 1.00 0.30 N ATOM 751 CA TYR A 65 -5.777 -1.054 4.186 1.00 0.32 C ATOM 752 C TYR A 65 -4.544 -0.562 3.433 1.00 0.33 C ATOM 753 O TYR A 65 -4.085 0.556 3.648 1.00 0.37 O ATOM 754 CB TYR A 65 -5.353 -1.965 5.336 1.00 0.34 C ATOM 755 CG TYR A 65 -6.351 -2.028 6.471 1.00 0.36 C ATOM 756 CD1 TYR A 65 -7.415 -2.917 6.445 1.00 0.37 C ATOM 757 CD2 TYR A 65 -6.213 -1.203 7.581 1.00 0.51 C ATOM 758 CE1 TYR A 65 -8.314 -2.985 7.491 1.00 0.40 C ATOM 759 CE2 TYR A 65 -7.111 -1.262 8.630 1.00 0.58 C ATOM 760 CZ TYR A 65 -8.158 -2.157 8.581 1.00 0.47 C ATOM 761 OH TYR A 65 -9.045 -2.231 9.629 1.00 0.55 O ATOM 0 H TYR A 65 -6.767 -2.750 3.436 1.00 0.30 H new ATOM 0 HA TYR A 65 -6.300 -0.189 4.595 1.00 0.32 H new ATOM 0 HB2 TYR A 65 -5.194 -2.972 4.949 1.00 0.34 H new ATOM 0 HB3 TYR A 65 -4.396 -1.619 5.726 1.00 0.34 H new ATOM 0 HD1 TYR A 65 -7.543 -3.567 5.592 1.00 0.37 H new ATOM 0 HD2 TYR A 65 -5.391 -0.504 7.625 1.00 0.51 H new ATOM 0 HE1 TYR A 65 -9.136 -3.684 7.455 1.00 0.40 H new ATOM 0 HE2 TYR A 65 -6.993 -0.610 9.483 1.00 0.58 H new ATOM 0 HH TYR A 65 -8.793 -1.581 10.318 1.00 0.55 H new ATOM 771 N GLY A 66 -4.027 -1.391 2.537 1.00 0.35 N ATOM 772 CA GLY A 66 -2.827 -1.045 1.797 1.00 0.41 C ATOM 773 C GLY A 66 -3.033 0.122 0.856 1.00 0.43 C ATOM 774 O GLY A 66 -2.146 0.960 0.699 1.00 0.51 O ATOM 0 H GLY A 66 -4.420 -2.304 2.307 1.00 0.35 H new ATOM 0 HA2 GLY A 66 -2.030 -0.803 2.500 1.00 0.41 H new ATOM 0 HA3 GLY A 66 -2.496 -1.912 1.226 1.00 0.41 H new ATOM 778 N ASN A 67 -4.196 0.184 0.226 1.00 0.44 N ATOM 779 CA ASN A 67 -4.491 1.274 -0.688 1.00 0.57 C ATOM 780 C ASN A 67 -4.895 2.521 0.099 1.00 0.41 C ATOM 781 O ASN A 67 -4.658 3.644 -0.338 1.00 0.38 O ATOM 782 CB ASN A 67 -5.581 0.870 -1.689 1.00 0.84 C ATOM 783 CG ASN A 67 -5.534 1.690 -2.971 1.00 1.28 C ATOM 784 OD1 ASN A 67 -5.140 2.854 -2.972 1.00 2.28 O ATOM 785 ND2 ASN A 67 -5.945 1.091 -4.078 1.00 1.35 N ATOM 0 H ASN A 67 -4.944 -0.501 0.330 1.00 0.44 H new ATOM 0 HA ASN A 67 -3.592 1.505 -1.260 1.00 0.57 H new ATOM 0 HB2 ASN A 67 -5.470 -0.186 -1.934 1.00 0.84 H new ATOM 0 HB3 ASN A 67 -6.559 0.988 -1.222 1.00 0.84 H new ATOM 0 HD21 ASN A 67 -5.940 1.597 -4.964 1.00 1.35 H new ATOM 0 HD22 ASN A 67 -6.266 0.124 -4.045 1.00 1.35 H new ATOM 792 N ARG A 68 -5.485 2.333 1.281 1.00 0.39 N ATOM 793 CA ARG A 68 -5.763 3.466 2.155 1.00 0.39 C ATOM 794 C ARG A 68 -4.452 4.013 2.706 1.00 0.31 C ATOM 795 O ARG A 68 -4.289 5.221 2.865 1.00 0.32 O ATOM 796 CB ARG A 68 -6.706 3.092 3.303 1.00 0.53 C ATOM 797 CG ARG A 68 -7.171 4.305 4.096 1.00 0.80 C ATOM 798 CD ARG A 68 -8.224 3.957 5.133 1.00 0.48 C ATOM 799 NE ARG A 68 -7.694 3.134 6.216 1.00 0.94 N ATOM 800 CZ ARG A 68 -8.340 2.883 7.355 1.00 1.16 C ATOM 801 NH1 ARG A 68 -9.550 3.379 7.574 1.00 1.42 N ATOM 802 NH2 ARG A 68 -7.755 2.143 8.284 1.00 1.87 N ATOM 0 H ARG A 68 -5.773 1.425 1.647 1.00 0.39 H new ATOM 0 HA ARG A 68 -6.266 4.231 1.564 1.00 0.39 H new ATOM 0 HB2 ARG A 68 -7.575 2.571 2.900 1.00 0.53 H new ATOM 0 HB3 ARG A 68 -6.200 2.397 3.973 1.00 0.53 H new ATOM 0 HG2 ARG A 68 -6.314 4.760 4.593 1.00 0.80 H new ATOM 0 HG3 ARG A 68 -7.574 5.050 3.410 1.00 0.80 H new ATOM 0 HD2 ARG A 68 -8.637 4.876 5.549 1.00 0.48 H new ATOM 0 HD3 ARG A 68 -9.045 3.429 4.649 1.00 0.48 H new ATOM 0 HE ARG A 68 -6.768 2.724 6.093 1.00 0.94 H new ATOM 0 HH11 ARG A 68 -9.998 3.961 6.866 1.00 1.42 H new ATOM 0 HH12 ARG A 68 -10.032 3.179 8.450 1.00 1.42 H new ATOM 0 HH21 ARG A 68 -6.819 1.771 8.125 1.00 1.87 H new ATOM 0 HH22 ARG A 68 -8.241 1.945 9.159 1.00 1.87 H new ATOM 816 N SER A 69 -3.520 3.110 2.994 1.00 0.31 N ATOM 817 CA SER A 69 -2.156 3.487 3.337 1.00 0.32 C ATOM 818 C SER A 69 -1.567 4.333 2.216 1.00 0.27 C ATOM 819 O SER A 69 -0.986 5.384 2.458 1.00 0.27 O ATOM 820 CB SER A 69 -1.304 2.233 3.566 1.00 0.43 C ATOM 821 OG SER A 69 0.064 2.555 3.742 1.00 1.16 O ATOM 0 H SER A 69 -3.688 2.104 2.996 1.00 0.31 H new ATOM 0 HA SER A 69 -2.162 4.071 4.258 1.00 0.32 H new ATOM 0 HB2 SER A 69 -1.669 1.701 4.444 1.00 0.43 H new ATOM 0 HB3 SER A 69 -1.413 1.559 2.717 1.00 0.43 H new ATOM 0 HG SER A 69 0.295 2.492 4.692 1.00 1.16 H new ATOM 827 N LEU A 70 -1.758 3.869 0.987 1.00 0.28 N ATOM 828 CA LEU A 70 -1.330 4.589 -0.204 1.00 0.31 C ATOM 829 C LEU A 70 -2.003 5.964 -0.280 1.00 0.31 C ATOM 830 O LEU A 70 -1.388 6.941 -0.703 1.00 0.38 O ATOM 831 CB LEU A 70 -1.639 3.731 -1.444 1.00 0.36 C ATOM 832 CG LEU A 70 -1.112 4.243 -2.790 1.00 0.46 C ATOM 833 CD1 LEU A 70 -2.080 5.237 -3.410 1.00 1.25 C ATOM 834 CD2 LEU A 70 0.270 4.858 -2.622 1.00 1.16 C ATOM 0 H LEU A 70 -2.216 2.979 0.789 1.00 0.28 H new ATOM 0 HA LEU A 70 -0.256 4.767 -0.161 1.00 0.31 H new ATOM 0 HB2 LEU A 70 -1.231 2.734 -1.277 1.00 0.36 H new ATOM 0 HB3 LEU A 70 -2.721 3.624 -1.522 1.00 0.36 H new ATOM 0 HG LEU A 70 -1.027 3.395 -3.469 1.00 0.46 H new ATOM 0 HD11 LEU A 70 -1.683 5.585 -4.364 1.00 1.25 H new ATOM 0 HD12 LEU A 70 -3.043 4.754 -3.573 1.00 1.25 H new ATOM 0 HD13 LEU A 70 -2.209 6.086 -2.739 1.00 1.25 H new ATOM 0 HD21 LEU A 70 0.629 5.216 -3.587 1.00 1.16 H new ATOM 0 HD22 LEU A 70 0.214 5.693 -1.923 1.00 1.16 H new ATOM 0 HD23 LEU A 70 0.958 4.106 -2.235 1.00 1.16 H new ATOM 846 N ALA A 71 -3.256 6.039 0.150 1.00 0.26 N ATOM 847 CA ALA A 71 -3.977 7.300 0.184 1.00 0.30 C ATOM 848 C ALA A 71 -3.340 8.239 1.198 1.00 0.29 C ATOM 849 O ALA A 71 -3.098 9.411 0.905 1.00 0.36 O ATOM 850 CB ALA A 71 -5.441 7.067 0.514 1.00 0.32 C ATOM 0 H ALA A 71 -3.793 5.238 0.481 1.00 0.26 H new ATOM 0 HA ALA A 71 -3.921 7.763 -0.801 1.00 0.30 H new ATOM 0 HB1 ALA A 71 -5.966 8.022 0.535 1.00 0.32 H new ATOM 0 HB2 ALA A 71 -5.887 6.425 -0.245 1.00 0.32 H new ATOM 0 HB3 ALA A 71 -5.522 6.587 1.489 1.00 0.32 H new ATOM 856 N TYR A 72 -3.059 7.710 2.388 1.00 0.25 N ATOM 857 CA TYR A 72 -2.313 8.446 3.402 1.00 0.25 C ATOM 858 C TYR A 72 -0.940 8.842 2.867 1.00 0.26 C ATOM 859 O TYR A 72 -0.427 9.917 3.162 1.00 0.30 O ATOM 860 CB TYR A 72 -2.135 7.601 4.665 1.00 0.25 C ATOM 861 CG TYR A 72 -3.397 7.389 5.470 1.00 0.29 C ATOM 862 CD1 TYR A 72 -4.121 8.464 5.964 1.00 0.34 C ATOM 863 CD2 TYR A 72 -3.853 6.107 5.748 1.00 0.41 C ATOM 864 CE1 TYR A 72 -5.268 8.269 6.709 1.00 0.41 C ATOM 865 CE2 TYR A 72 -4.996 5.904 6.493 1.00 0.47 C ATOM 866 CZ TYR A 72 -5.701 6.987 6.972 1.00 0.43 C ATOM 867 OH TYR A 72 -6.835 6.783 7.719 1.00 0.52 O ATOM 0 H TYR A 72 -3.339 6.771 2.672 1.00 0.25 H new ATOM 0 HA TYR A 72 -2.881 9.343 3.650 1.00 0.25 H new ATOM 0 HB2 TYR A 72 -1.735 6.628 4.381 1.00 0.25 H new ATOM 0 HB3 TYR A 72 -1.390 8.078 5.302 1.00 0.25 H new ATOM 0 HD1 TYR A 72 -3.783 9.470 5.763 1.00 0.34 H new ATOM 0 HD2 TYR A 72 -3.304 5.255 5.375 1.00 0.41 H new ATOM 0 HE1 TYR A 72 -5.823 9.117 7.083 1.00 0.41 H new ATOM 0 HE2 TYR A 72 -5.337 4.900 6.700 1.00 0.47 H new ATOM 0 HH TYR A 72 -6.999 5.821 7.809 1.00 0.52 H new ATOM 877 N LEU A 73 -0.356 7.954 2.081 1.00 0.26 N ATOM 878 CA LEU A 73 0.941 8.185 1.463 1.00 0.30 C ATOM 879 C LEU A 73 0.883 9.342 0.467 1.00 0.37 C ATOM 880 O LEU A 73 1.896 9.977 0.180 1.00 0.50 O ATOM 881 CB LEU A 73 1.422 6.895 0.789 1.00 0.31 C ATOM 882 CG LEU A 73 1.940 5.829 1.757 1.00 0.31 C ATOM 883 CD1 LEU A 73 2.249 4.532 1.025 1.00 0.33 C ATOM 884 CD2 LEU A 73 3.177 6.327 2.484 1.00 0.43 C ATOM 0 H LEU A 73 -0.768 7.049 1.852 1.00 0.26 H new ATOM 0 HA LEU A 73 1.655 8.467 2.237 1.00 0.30 H new ATOM 0 HB2 LEU A 73 0.600 6.474 0.211 1.00 0.31 H new ATOM 0 HB3 LEU A 73 2.215 7.143 0.083 1.00 0.31 H new ATOM 0 HG LEU A 73 1.157 5.631 2.489 1.00 0.31 H new ATOM 0 HD11 LEU A 73 2.615 3.791 1.736 1.00 0.33 H new ATOM 0 HD12 LEU A 73 1.343 4.159 0.547 1.00 0.33 H new ATOM 0 HD13 LEU A 73 3.010 4.715 0.267 1.00 0.33 H new ATOM 0 HD21 LEU A 73 3.532 5.556 3.168 1.00 0.43 H new ATOM 0 HD22 LEU A 73 3.958 6.556 1.759 1.00 0.43 H new ATOM 0 HD23 LEU A 73 2.930 7.227 3.048 1.00 0.43 H new ATOM 896 N ARG A 74 -0.310 9.622 -0.043 1.00 0.38 N ATOM 897 CA ARG A 74 -0.514 10.750 -0.942 1.00 0.48 C ATOM 898 C ARG A 74 -0.737 12.030 -0.148 1.00 0.53 C ATOM 899 O ARG A 74 -0.269 13.101 -0.525 1.00 0.67 O ATOM 900 CB ARG A 74 -1.726 10.514 -1.844 1.00 0.51 C ATOM 901 CG ARG A 74 -1.656 9.246 -2.675 1.00 0.48 C ATOM 902 CD ARG A 74 -0.505 9.282 -3.663 1.00 1.19 C ATOM 903 NE ARG A 74 -0.720 10.268 -4.718 1.00 1.95 N ATOM 904 CZ ARG A 74 -0.031 10.299 -5.855 1.00 2.78 C ATOM 905 NH1 ARG A 74 0.974 9.455 -6.050 1.00 3.07 N ATOM 906 NH2 ARG A 74 -0.341 11.189 -6.787 1.00 3.53 N ATOM 0 H ARG A 74 -1.153 9.081 0.152 1.00 0.38 H new ATOM 0 HA ARG A 74 0.381 10.849 -1.556 1.00 0.48 H new ATOM 0 HB2 ARG A 74 -2.622 10.478 -1.225 1.00 0.51 H new ATOM 0 HB3 ARG A 74 -1.836 11.367 -2.514 1.00 0.51 H new ATOM 0 HG2 ARG A 74 -1.542 8.385 -2.016 1.00 0.48 H new ATOM 0 HG3 ARG A 74 -2.594 9.113 -3.214 1.00 0.48 H new ATOM 0 HD2 ARG A 74 0.420 9.513 -3.134 1.00 1.19 H new ATOM 0 HD3 ARG A 74 -0.379 8.295 -4.109 1.00 1.19 H new ATOM 0 HE ARG A 74 -1.441 10.975 -4.575 1.00 1.95 H new ATOM 0 HH11 ARG A 74 1.220 8.779 -5.327 1.00 3.07 H new ATOM 0 HH12 ARG A 74 1.500 9.482 -6.923 1.00 3.07 H new ATOM 0 HH21 ARG A 74 -1.105 11.846 -6.630 1.00 3.53 H new ATOM 0 HH22 ARG A 74 0.185 11.217 -7.661 1.00 3.53 H new ATOM 920 N THR A 75 -1.451 11.903 0.963 1.00 0.48 N ATOM 921 CA THR A 75 -1.836 13.050 1.768 1.00 0.57 C ATOM 922 C THR A 75 -0.747 13.420 2.776 1.00 0.70 C ATOM 923 O THR A 75 -0.952 14.283 3.630 1.00 1.53 O ATOM 924 CB THR A 75 -3.155 12.766 2.514 1.00 0.54 C ATOM 925 OG1 THR A 75 -3.038 11.549 3.258 1.00 0.55 O ATOM 926 CG2 THR A 75 -4.320 12.650 1.540 1.00 0.49 C ATOM 0 H THR A 75 -1.777 11.008 1.328 1.00 0.48 H new ATOM 0 HA THR A 75 -1.976 13.892 1.090 1.00 0.57 H new ATOM 0 HB THR A 75 -3.348 13.598 3.191 1.00 0.54 H new ATOM 0 HG1 THR A 75 -2.610 11.733 4.120 1.00 0.55 H new ATOM 0 HG21 THR A 75 -5.238 12.450 2.093 1.00 0.49 H new ATOM 0 HG22 THR A 75 -4.426 13.583 0.987 1.00 0.49 H new ATOM 0 HG23 THR A 75 -4.131 11.834 0.842 1.00 0.49 H new ATOM 934 N GLU A 76 0.408 12.764 2.657 1.00 0.57 N ATOM 935 CA GLU A 76 1.542 12.991 3.555 1.00 0.59 C ATOM 936 C GLU A 76 1.193 12.587 4.986 1.00 0.42 C ATOM 937 O GLU A 76 1.686 13.159 5.957 1.00 0.45 O ATOM 938 CB GLU A 76 2.010 14.445 3.485 1.00 0.86 C ATOM 939 CG GLU A 76 2.574 14.819 2.125 1.00 1.85 C ATOM 940 CD GLU A 76 3.134 16.223 2.090 1.00 2.38 C ATOM 941 OE1 GLU A 76 4.242 16.441 2.622 1.00 2.71 O ATOM 942 OE2 GLU A 76 2.465 17.119 1.531 1.00 2.77 O ATOM 0 H GLU A 76 0.584 12.062 1.938 1.00 0.57 H new ATOM 0 HA GLU A 76 2.368 12.361 3.226 1.00 0.59 H new ATOM 0 HB2 GLU A 76 1.173 15.103 3.719 1.00 0.86 H new ATOM 0 HB3 GLU A 76 2.771 14.614 4.247 1.00 0.86 H new ATOM 0 HG2 GLU A 76 3.359 14.113 1.855 1.00 1.85 H new ATOM 0 HG3 GLU A 76 1.790 14.726 1.373 1.00 1.85 H new ATOM 949 N CYS A 77 0.374 11.557 5.088 1.00 0.32 N ATOM 950 CA CYS A 77 -0.063 11.005 6.359 1.00 0.32 C ATOM 951 C CYS A 77 0.675 9.710 6.658 1.00 0.32 C ATOM 952 O CYS A 77 0.105 8.777 7.222 1.00 0.35 O ATOM 953 CB CYS A 77 -1.559 10.741 6.324 1.00 0.33 C ATOM 954 SG CYS A 77 -2.579 12.224 6.137 1.00 0.37 S ATOM 0 H CYS A 77 -0.013 11.072 4.278 1.00 0.32 H new ATOM 0 HA CYS A 77 0.159 11.728 7.144 1.00 0.32 H new ATOM 0 HB2 CYS A 77 -1.776 10.060 5.501 1.00 0.33 H new ATOM 0 HB3 CYS A 77 -1.847 10.231 7.243 1.00 0.33 H new ATOM 0 HG CYS A 77 -3.835 11.887 6.117 1.00 0.37 H new ATOM 960 N TYR A 78 1.936 9.667 6.248 1.00 0.34 N ATOM 961 CA TYR A 78 2.773 8.467 6.322 1.00 0.38 C ATOM 962 C TYR A 78 2.672 7.738 7.668 1.00 0.41 C ATOM 963 O TYR A 78 2.822 6.520 7.718 1.00 0.43 O ATOM 964 CB TYR A 78 4.225 8.838 6.058 1.00 0.44 C ATOM 965 CG TYR A 78 4.414 9.759 4.875 1.00 0.42 C ATOM 966 CD1 TYR A 78 4.568 9.252 3.595 1.00 0.55 C ATOM 967 CD2 TYR A 78 4.437 11.138 5.041 1.00 0.54 C ATOM 968 CE1 TYR A 78 4.738 10.090 2.508 1.00 0.66 C ATOM 969 CE2 TYR A 78 4.607 11.983 3.962 1.00 0.66 C ATOM 970 CZ TYR A 78 4.755 11.456 2.697 1.00 0.66 C ATOM 971 OH TYR A 78 4.919 12.296 1.619 1.00 0.84 O ATOM 0 H TYR A 78 2.417 10.473 5.849 1.00 0.34 H new ATOM 0 HA TYR A 78 2.403 7.781 5.560 1.00 0.38 H new ATOM 0 HB2 TYR A 78 4.636 9.316 6.948 1.00 0.44 H new ATOM 0 HB3 TYR A 78 4.799 7.926 5.892 1.00 0.44 H new ATOM 0 HD1 TYR A 78 4.555 8.183 3.443 1.00 0.55 H new ATOM 0 HD2 TYR A 78 4.320 11.556 6.030 1.00 0.54 H new ATOM 0 HE1 TYR A 78 4.857 9.677 1.517 1.00 0.66 H new ATOM 0 HE2 TYR A 78 4.624 13.053 4.109 1.00 0.66 H new ATOM 0 HH TYR A 78 4.545 11.876 0.817 1.00 0.84 H new ATOM 981 N GLY A 79 2.432 8.476 8.748 1.00 0.43 N ATOM 982 CA GLY A 79 2.239 7.845 10.046 1.00 0.49 C ATOM 983 C GLY A 79 1.102 6.836 10.027 1.00 0.42 C ATOM 984 O GLY A 79 1.278 5.674 10.401 1.00 0.42 O ATOM 0 H GLY A 79 2.368 9.494 8.750 1.00 0.43 H new ATOM 0 HA2 GLY A 79 3.160 7.347 10.347 1.00 0.49 H new ATOM 0 HA3 GLY A 79 2.032 8.611 10.794 1.00 0.49 H new ATOM 988 N TYR A 80 -0.061 7.275 9.555 1.00 0.38 N ATOM 989 CA TYR A 80 -1.217 6.397 9.432 1.00 0.36 C ATOM 990 C TYR A 80 -0.951 5.339 8.373 1.00 0.30 C ATOM 991 O TYR A 80 -1.380 4.197 8.501 1.00 0.32 O ATOM 992 CB TYR A 80 -2.474 7.190 9.061 1.00 0.40 C ATOM 993 CG TYR A 80 -2.867 8.237 10.076 1.00 0.56 C ATOM 994 CD1 TYR A 80 -2.972 7.920 11.424 1.00 0.96 C ATOM 995 CD2 TYR A 80 -3.143 9.541 9.686 1.00 1.06 C ATOM 996 CE1 TYR A 80 -3.337 8.873 12.353 1.00 1.28 C ATOM 997 CE2 TYR A 80 -3.507 10.500 10.610 1.00 1.34 C ATOM 998 CZ TYR A 80 -3.604 10.161 11.941 1.00 1.29 C ATOM 999 OH TYR A 80 -3.966 11.113 12.864 1.00 1.70 O ATOM 0 H TYR A 80 -0.227 8.235 9.252 1.00 0.38 H new ATOM 0 HA TYR A 80 -1.384 5.918 10.397 1.00 0.36 H new ATOM 0 HB2 TYR A 80 -2.313 7.676 8.098 1.00 0.40 H new ATOM 0 HB3 TYR A 80 -3.304 6.495 8.932 1.00 0.40 H new ATOM 0 HD1 TYR A 80 -2.765 6.912 11.750 1.00 0.96 H new ATOM 0 HD2 TYR A 80 -3.072 9.809 8.642 1.00 1.06 H new ATOM 0 HE1 TYR A 80 -3.413 8.611 13.398 1.00 1.28 H new ATOM 0 HE2 TYR A 80 -3.715 11.511 10.291 1.00 1.34 H new ATOM 0 HH TYR A 80 -4.118 11.968 12.410 1.00 1.70 H new ATOM 1009 N ALA A 81 -0.223 5.735 7.337 1.00 0.28 N ATOM 1010 CA ALA A 81 0.126 4.836 6.245 1.00 0.28 C ATOM 1011 C ALA A 81 0.939 3.651 6.750 1.00 0.29 C ATOM 1012 O ALA A 81 0.662 2.502 6.403 1.00 0.33 O ATOM 1013 CB ALA A 81 0.897 5.589 5.174 1.00 0.31 C ATOM 0 H ALA A 81 0.140 6.682 7.230 1.00 0.28 H new ATOM 0 HA ALA A 81 -0.797 4.451 5.812 1.00 0.28 H new ATOM 0 HB1 ALA A 81 1.153 4.907 4.363 1.00 0.31 H new ATOM 0 HB2 ALA A 81 0.282 6.401 4.786 1.00 0.31 H new ATOM 0 HB3 ALA A 81 1.810 6.000 5.604 1.00 0.31 H new ATOM 1019 N LEU A 82 1.926 3.940 7.588 1.00 0.30 N ATOM 1020 CA LEU A 82 2.808 2.920 8.134 1.00 0.34 C ATOM 1021 C LEU A 82 2.009 1.913 8.961 1.00 0.32 C ATOM 1022 O LEU A 82 2.204 0.699 8.841 1.00 0.37 O ATOM 1023 CB LEU A 82 3.912 3.596 8.973 1.00 0.42 C ATOM 1024 CG LEU A 82 5.078 2.706 9.441 1.00 0.49 C ATOM 1025 CD1 LEU A 82 4.680 1.864 10.633 1.00 0.49 C ATOM 1026 CD2 LEU A 82 5.566 1.815 8.311 1.00 0.52 C ATOM 0 H LEU A 82 2.136 4.886 7.907 1.00 0.30 H new ATOM 0 HA LEU A 82 3.282 2.370 7.321 1.00 0.34 H new ATOM 0 HB2 LEU A 82 4.326 4.418 8.389 1.00 0.42 H new ATOM 0 HB3 LEU A 82 3.446 4.035 9.855 1.00 0.42 H new ATOM 0 HG LEU A 82 5.893 3.364 9.743 1.00 0.49 H new ATOM 0 HD11 LEU A 82 5.524 1.246 10.940 1.00 0.49 H new ATOM 0 HD12 LEU A 82 4.388 2.515 11.457 1.00 0.49 H new ATOM 0 HD13 LEU A 82 3.841 1.223 10.362 1.00 0.49 H new ATOM 0 HD21 LEU A 82 6.390 1.196 8.666 1.00 0.52 H new ATOM 0 HD22 LEU A 82 4.750 1.175 7.974 1.00 0.52 H new ATOM 0 HD23 LEU A 82 5.908 2.434 7.482 1.00 0.52 H new ATOM 1038 N ASN A 83 1.098 2.418 9.781 1.00 0.32 N ATOM 1039 CA ASN A 83 0.286 1.556 10.636 1.00 0.39 C ATOM 1040 C ASN A 83 -0.758 0.793 9.826 1.00 0.38 C ATOM 1041 O ASN A 83 -1.004 -0.390 10.070 1.00 0.42 O ATOM 1042 CB ASN A 83 -0.397 2.368 11.740 1.00 0.47 C ATOM 1043 CG ASN A 83 0.593 2.950 12.730 1.00 1.25 C ATOM 1044 OD1 ASN A 83 1.671 2.396 12.948 1.00 1.86 O ATOM 1045 ND2 ASN A 83 0.230 4.061 13.349 1.00 2.09 N ATOM 0 H ASN A 83 0.901 3.415 9.874 1.00 0.32 H new ATOM 0 HA ASN A 83 0.957 0.831 11.098 1.00 0.39 H new ATOM 0 HB2 ASN A 83 -0.972 3.176 11.289 1.00 0.47 H new ATOM 0 HB3 ASN A 83 -1.104 1.731 12.271 1.00 0.47 H new ATOM 0 HD21 ASN A 83 0.852 4.489 14.035 1.00 2.09 H new ATOM 0 HD22 ASN A 83 -0.672 4.490 13.141 1.00 2.09 H new ATOM 1052 N ASP A 84 -1.361 1.468 8.855 1.00 0.39 N ATOM 1053 CA ASP A 84 -2.394 0.862 8.017 1.00 0.45 C ATOM 1054 C ASP A 84 -1.820 -0.241 7.140 1.00 0.42 C ATOM 1055 O ASP A 84 -2.409 -1.316 7.014 1.00 0.44 O ATOM 1056 CB ASP A 84 -3.075 1.918 7.149 1.00 0.55 C ATOM 1057 CG ASP A 84 -4.478 2.228 7.622 1.00 0.74 C ATOM 1058 OD1 ASP A 84 -4.635 2.767 8.741 1.00 1.10 O ATOM 1059 OD2 ASP A 84 -5.433 1.933 6.879 1.00 1.19 O ATOM 0 H ASP A 84 -1.153 2.440 8.626 1.00 0.39 H new ATOM 0 HA ASP A 84 -3.136 0.419 8.681 1.00 0.45 H new ATOM 0 HB2 ASP A 84 -2.480 2.831 7.157 1.00 0.55 H new ATOM 0 HB3 ASP A 84 -3.110 1.570 6.117 1.00 0.55 H new ATOM 1064 N ALA A 85 -0.661 0.022 6.548 1.00 0.41 N ATOM 1065 CA ALA A 85 0.008 -0.964 5.711 1.00 0.43 C ATOM 1066 C ALA A 85 0.373 -2.196 6.526 1.00 0.42 C ATOM 1067 O ALA A 85 0.252 -3.325 6.058 1.00 0.42 O ATOM 1068 CB ALA A 85 1.248 -0.365 5.071 1.00 0.48 C ATOM 0 H ALA A 85 -0.166 0.910 6.633 1.00 0.41 H new ATOM 0 HA ALA A 85 -0.678 -1.265 4.919 1.00 0.43 H new ATOM 0 HB1 ALA A 85 1.735 -1.116 4.449 1.00 0.48 H new ATOM 0 HB2 ALA A 85 0.963 0.488 4.455 1.00 0.48 H new ATOM 0 HB3 ALA A 85 1.937 -0.036 5.849 1.00 0.48 H new ATOM 1074 N THR A 86 0.805 -1.966 7.758 1.00 0.42 N ATOM 1075 CA THR A 86 1.133 -3.047 8.669 1.00 0.44 C ATOM 1076 C THR A 86 -0.108 -3.876 8.996 1.00 0.43 C ATOM 1077 O THR A 86 -0.040 -5.102 9.080 1.00 0.44 O ATOM 1078 CB THR A 86 1.759 -2.493 9.963 1.00 0.47 C ATOM 1079 OG1 THR A 86 2.999 -1.841 9.649 1.00 0.47 O ATOM 1080 CG2 THR A 86 2.004 -3.596 10.984 1.00 0.55 C ATOM 0 H THR A 86 0.936 -1.033 8.149 1.00 0.42 H new ATOM 0 HA THR A 86 1.860 -3.694 8.178 1.00 0.44 H new ATOM 0 HB THR A 86 1.060 -1.781 10.402 1.00 0.47 H new ATOM 0 HG1 THR A 86 2.819 -0.931 9.333 1.00 0.47 H new ATOM 0 HG21 THR A 86 2.446 -3.168 11.883 1.00 0.55 H new ATOM 0 HG22 THR A 86 1.058 -4.074 11.237 1.00 0.55 H new ATOM 0 HG23 THR A 86 2.684 -4.337 10.563 1.00 0.55 H new ATOM 1088 N ARG A 87 -1.242 -3.201 9.150 1.00 0.43 N ATOM 1089 CA ARG A 87 -2.500 -3.874 9.444 1.00 0.43 C ATOM 1090 C ARG A 87 -2.906 -4.777 8.280 1.00 0.39 C ATOM 1091 O ARG A 87 -3.465 -5.853 8.486 1.00 0.38 O ATOM 1092 CB ARG A 87 -3.599 -2.846 9.720 1.00 0.47 C ATOM 1093 CG ARG A 87 -4.913 -3.439 10.210 1.00 0.58 C ATOM 1094 CD ARG A 87 -4.777 -4.036 11.599 1.00 0.71 C ATOM 1095 NE ARG A 87 -6.082 -4.349 12.187 1.00 1.63 N ATOM 1096 CZ ARG A 87 -6.680 -3.601 13.120 1.00 2.24 C ATOM 1097 NH1 ARG A 87 -6.090 -2.499 13.571 1.00 2.10 N ATOM 1098 NH2 ARG A 87 -7.871 -3.955 13.598 1.00 3.28 N ATOM 0 H ARG A 87 -1.315 -2.186 9.076 1.00 0.43 H new ATOM 0 HA ARG A 87 -2.363 -4.490 10.333 1.00 0.43 H new ATOM 0 HB2 ARG A 87 -3.236 -2.136 10.464 1.00 0.47 H new ATOM 0 HB3 ARG A 87 -3.788 -2.282 8.807 1.00 0.47 H new ATOM 0 HG2 ARG A 87 -5.680 -2.665 10.220 1.00 0.58 H new ATOM 0 HG3 ARG A 87 -5.247 -4.209 9.514 1.00 0.58 H new ATOM 0 HD2 ARG A 87 -4.175 -4.943 11.547 1.00 0.71 H new ATOM 0 HD3 ARG A 87 -4.246 -3.337 12.245 1.00 0.71 H new ATOM 0 HE ARG A 87 -6.564 -5.189 11.865 1.00 1.63 H new ATOM 0 HH11 ARG A 87 -5.179 -2.222 13.205 1.00 2.10 H new ATOM 0 HH12 ARG A 87 -6.548 -1.930 14.283 1.00 2.10 H new ATOM 0 HH21 ARG A 87 -8.329 -4.798 13.252 1.00 3.28 H new ATOM 0 HH22 ARG A 87 -8.325 -3.383 14.310 1.00 3.28 H new ATOM 1112 N ALA A 88 -2.616 -4.337 7.060 1.00 0.39 N ATOM 1113 CA ALA A 88 -2.898 -5.141 5.878 1.00 0.38 C ATOM 1114 C ALA A 88 -2.055 -6.400 5.877 1.00 0.39 C ATOM 1115 O ALA A 88 -2.541 -7.478 5.547 1.00 0.41 O ATOM 1116 CB ALA A 88 -2.634 -4.362 4.608 1.00 0.42 C ATOM 0 H ALA A 88 -2.188 -3.432 6.865 1.00 0.39 H new ATOM 0 HA ALA A 88 -3.954 -5.410 5.911 1.00 0.38 H new ATOM 0 HB1 ALA A 88 -2.854 -4.989 3.744 1.00 0.42 H new ATOM 0 HB2 ALA A 88 -3.270 -3.477 4.585 1.00 0.42 H new ATOM 0 HB3 ALA A 88 -1.588 -4.058 4.579 1.00 0.42 H new ATOM 1122 N ILE A 89 -0.789 -6.254 6.242 1.00 0.42 N ATOM 1123 CA ILE A 89 0.114 -7.388 6.338 1.00 0.47 C ATOM 1124 C ILE A 89 -0.388 -8.390 7.379 1.00 0.47 C ATOM 1125 O ILE A 89 -0.127 -9.580 7.283 1.00 0.59 O ATOM 1126 CB ILE A 89 1.548 -6.931 6.683 1.00 0.60 C ATOM 1127 CG1 ILE A 89 2.035 -5.922 5.637 1.00 0.73 C ATOM 1128 CG2 ILE A 89 2.492 -8.125 6.755 1.00 0.66 C ATOM 1129 CD1 ILE A 89 3.422 -5.381 5.901 1.00 1.15 C ATOM 0 H ILE A 89 -0.364 -5.357 6.477 1.00 0.42 H new ATOM 0 HA ILE A 89 0.138 -7.878 5.364 1.00 0.47 H new ATOM 0 HB ILE A 89 1.538 -6.451 7.662 1.00 0.60 H new ATOM 0 HG12 ILE A 89 2.022 -6.397 4.656 1.00 0.73 H new ATOM 0 HG13 ILE A 89 1.333 -5.089 5.597 1.00 0.73 H new ATOM 0 HG21 ILE A 89 3.497 -7.780 6.999 1.00 0.66 H new ATOM 0 HG22 ILE A 89 2.148 -8.815 7.525 1.00 0.66 H new ATOM 0 HG23 ILE A 89 2.508 -8.635 5.792 1.00 0.66 H new ATOM 0 HD11 ILE A 89 3.692 -4.674 5.116 1.00 1.15 H new ATOM 0 HD12 ILE A 89 3.438 -4.875 6.866 1.00 1.15 H new ATOM 0 HD13 ILE A 89 4.137 -6.203 5.911 1.00 1.15 H new ATOM 1141 N GLU A 90 -1.125 -7.905 8.368 1.00 0.42 N ATOM 1142 CA GLU A 90 -1.732 -8.784 9.358 1.00 0.43 C ATOM 1143 C GLU A 90 -2.935 -9.513 8.759 1.00 0.40 C ATOM 1144 O GLU A 90 -3.233 -10.652 9.129 1.00 0.47 O ATOM 1145 CB GLU A 90 -2.162 -7.985 10.585 1.00 0.44 C ATOM 1146 CG GLU A 90 -1.011 -7.284 11.287 1.00 0.50 C ATOM 1147 CD GLU A 90 0.061 -8.245 11.771 1.00 0.58 C ATOM 1148 OE1 GLU A 90 -0.282 -9.374 12.183 1.00 0.82 O ATOM 1149 OE2 GLU A 90 1.251 -7.864 11.763 1.00 0.73 O ATOM 0 H GLU A 90 -1.317 -6.913 8.506 1.00 0.42 H new ATOM 0 HA GLU A 90 -0.991 -9.523 9.662 1.00 0.43 H new ATOM 0 HB2 GLU A 90 -2.900 -7.242 10.284 1.00 0.44 H new ATOM 0 HB3 GLU A 90 -2.654 -8.655 11.291 1.00 0.44 H new ATOM 0 HG2 GLU A 90 -0.563 -6.561 10.605 1.00 0.50 H new ATOM 0 HG3 GLU A 90 -1.399 -6.722 12.137 1.00 0.50 H new ATOM 1156 N LEU A 91 -3.618 -8.845 7.836 1.00 0.38 N ATOM 1157 CA LEU A 91 -4.782 -9.412 7.159 1.00 0.39 C ATOM 1158 C LEU A 91 -4.351 -10.441 6.122 1.00 0.43 C ATOM 1159 O LEU A 91 -4.788 -11.594 6.144 1.00 0.51 O ATOM 1160 CB LEU A 91 -5.582 -8.303 6.477 1.00 0.36 C ATOM 1161 CG LEU A 91 -6.131 -7.223 7.409 1.00 0.37 C ATOM 1162 CD1 LEU A 91 -6.842 -6.151 6.607 1.00 0.39 C ATOM 1163 CD2 LEU A 91 -7.073 -7.827 8.434 1.00 0.45 C ATOM 0 H LEU A 91 -3.383 -7.899 7.536 1.00 0.38 H new ATOM 0 HA LEU A 91 -5.407 -9.904 7.904 1.00 0.39 H new ATOM 0 HB2 LEU A 91 -4.947 -7.826 5.731 1.00 0.36 H new ATOM 0 HB3 LEU A 91 -6.417 -8.756 5.942 1.00 0.36 H new ATOM 0 HG LEU A 91 -5.295 -6.768 7.939 1.00 0.37 H new ATOM 0 HD11 LEU A 91 -7.228 -5.388 7.282 1.00 0.39 H new ATOM 0 HD12 LEU A 91 -6.141 -5.695 5.907 1.00 0.39 H new ATOM 0 HD13 LEU A 91 -7.668 -6.598 6.054 1.00 0.39 H new ATOM 0 HD21 LEU A 91 -7.452 -7.041 9.087 1.00 0.45 H new ATOM 0 HD22 LEU A 91 -7.907 -8.308 7.923 1.00 0.45 H new ATOM 0 HD23 LEU A 91 -6.537 -8.566 9.029 1.00 0.45 H new ATOM 1175 N ASP A 92 -3.483 -10.013 5.225 1.00 0.46 N ATOM 1176 CA ASP A 92 -2.912 -10.888 4.230 1.00 0.53 C ATOM 1177 C ASP A 92 -1.438 -11.002 4.523 1.00 0.56 C ATOM 1178 O ASP A 92 -0.624 -10.222 4.027 1.00 0.82 O ATOM 1179 CB ASP A 92 -3.155 -10.397 2.796 1.00 0.66 C ATOM 1180 CG ASP A 92 -4.609 -10.519 2.359 1.00 1.77 C ATOM 1181 OD1 ASP A 92 -5.393 -9.570 2.578 1.00 2.34 O ATOM 1182 OD2 ASP A 92 -4.975 -11.563 1.774 1.00 2.32 O ATOM 0 H ASP A 92 -3.157 -9.048 5.169 1.00 0.46 H new ATOM 0 HA ASP A 92 -3.398 -11.862 4.287 1.00 0.53 H new ATOM 0 HB2 ASP A 92 -2.845 -9.355 2.718 1.00 0.66 H new ATOM 0 HB3 ASP A 92 -2.527 -10.968 2.112 1.00 0.66 H new ATOM 1187 N LYS A 93 -1.116 -11.964 5.372 1.00 0.48 N ATOM 1188 CA LYS A 93 0.195 -12.054 5.984 1.00 0.50 C ATOM 1189 C LYS A 93 1.287 -12.172 4.935 1.00 0.55 C ATOM 1190 O LYS A 93 2.401 -11.686 5.134 1.00 0.64 O ATOM 1191 CB LYS A 93 0.223 -13.218 6.964 1.00 0.55 C ATOM 1192 CG LYS A 93 1.366 -13.148 7.965 1.00 0.73 C ATOM 1193 CD LYS A 93 1.448 -11.759 8.584 1.00 1.22 C ATOM 1194 CE LYS A 93 2.186 -11.749 9.907 1.00 1.76 C ATOM 1195 NZ LYS A 93 1.382 -12.372 10.993 1.00 2.61 N ATOM 0 H LYS A 93 -1.758 -12.704 5.655 1.00 0.48 H new ATOM 0 HA LYS A 93 0.392 -11.135 6.536 1.00 0.50 H new ATOM 0 HB2 LYS A 93 -0.722 -13.247 7.507 1.00 0.55 H new ATOM 0 HB3 LYS A 93 0.298 -14.150 6.405 1.00 0.55 H new ATOM 0 HG2 LYS A 93 1.219 -13.893 8.747 1.00 0.73 H new ATOM 0 HG3 LYS A 93 2.307 -13.388 7.469 1.00 0.73 H new ATOM 0 HD2 LYS A 93 1.949 -11.085 7.889 1.00 1.22 H new ATOM 0 HD3 LYS A 93 0.440 -11.372 8.733 1.00 1.22 H new ATOM 0 HE2 LYS A 93 3.130 -12.284 9.801 1.00 1.76 H new ATOM 0 HE3 LYS A 93 2.431 -10.722 10.179 1.00 1.76 H new ATOM 0 HZ1 LYS A 93 1.814 -12.154 11.914 1.00 2.61 H new ATOM 0 HZ2 LYS A 93 0.413 -11.995 10.967 1.00 2.61 H new ATOM 0 HZ3 LYS A 93 1.356 -13.403 10.858 1.00 2.61 H new ATOM 1209 N LYS A 94 0.980 -12.812 3.818 1.00 0.55 N ATOM 1210 CA LYS A 94 1.830 -12.679 2.660 1.00 0.61 C ATOM 1211 C LYS A 94 1.093 -11.904 1.586 1.00 0.60 C ATOM 1212 O LYS A 94 0.234 -12.435 0.883 1.00 0.69 O ATOM 1213 CB LYS A 94 2.268 -14.042 2.122 1.00 0.76 C ATOM 1214 CG LYS A 94 3.053 -14.869 3.124 1.00 0.96 C ATOM 1215 CD LYS A 94 3.500 -16.192 2.525 1.00 1.17 C ATOM 1216 CE LYS A 94 4.687 -16.018 1.590 1.00 1.41 C ATOM 1217 NZ LYS A 94 5.942 -15.723 2.331 1.00 2.11 N ATOM 0 H LYS A 94 0.166 -13.414 3.695 1.00 0.55 H new ATOM 0 HA LYS A 94 2.731 -12.140 2.954 1.00 0.61 H new ATOM 0 HB2 LYS A 94 1.385 -14.602 1.814 1.00 0.76 H new ATOM 0 HB3 LYS A 94 2.877 -13.892 1.231 1.00 0.76 H new ATOM 0 HG2 LYS A 94 3.925 -14.307 3.458 1.00 0.96 H new ATOM 0 HG3 LYS A 94 2.438 -15.056 4.004 1.00 0.96 H new ATOM 0 HD2 LYS A 94 3.767 -16.882 3.326 1.00 1.17 H new ATOM 0 HD3 LYS A 94 2.671 -16.642 1.979 1.00 1.17 H new ATOM 0 HE2 LYS A 94 4.819 -16.925 1.000 1.00 1.41 H new ATOM 0 HE3 LYS A 94 4.481 -15.209 0.889 1.00 1.41 H new ATOM 0 HZ1 LYS A 94 6.756 -15.829 1.692 1.00 2.11 H new ATOM 0 HZ2 LYS A 94 5.911 -14.749 2.693 1.00 2.11 H new ATOM 0 HZ3 LYS A 94 6.039 -16.385 3.127 1.00 2.11 H new ATOM 1231 N TYR A 95 1.430 -10.638 1.491 1.00 0.53 N ATOM 1232 CA TYR A 95 0.977 -9.786 0.418 1.00 0.58 C ATOM 1233 C TYR A 95 2.155 -8.930 0.002 1.00 0.55 C ATOM 1234 O TYR A 95 2.502 -7.974 0.690 1.00 0.55 O ATOM 1235 CB TYR A 95 -0.215 -8.926 0.867 1.00 0.63 C ATOM 1236 CG TYR A 95 -0.909 -8.176 -0.256 1.00 0.81 C ATOM 1237 CD1 TYR A 95 -1.201 -8.798 -1.464 1.00 0.99 C ATOM 1238 CD2 TYR A 95 -1.275 -6.846 -0.102 1.00 0.91 C ATOM 1239 CE1 TYR A 95 -1.833 -8.112 -2.486 1.00 1.19 C ATOM 1240 CE2 TYR A 95 -1.906 -6.153 -1.118 1.00 1.12 C ATOM 1241 CZ TYR A 95 -2.184 -6.789 -2.306 1.00 1.23 C ATOM 1242 OH TYR A 95 -2.811 -6.099 -3.323 1.00 1.46 O ATOM 0 H TYR A 95 2.033 -10.167 2.165 1.00 0.53 H new ATOM 0 HA TYR A 95 0.626 -10.379 -0.427 1.00 0.58 H new ATOM 0 HB2 TYR A 95 -0.943 -9.568 1.363 1.00 0.63 H new ATOM 0 HB3 TYR A 95 0.132 -8.206 1.608 1.00 0.63 H new ATOM 0 HD1 TYR A 95 -0.930 -9.834 -1.607 1.00 0.99 H new ATOM 0 HD2 TYR A 95 -1.063 -6.343 0.830 1.00 0.91 H new ATOM 0 HE1 TYR A 95 -2.051 -8.609 -3.420 1.00 1.19 H new ATOM 0 HE2 TYR A 95 -2.179 -5.117 -0.980 1.00 1.12 H new ATOM 0 HH TYR A 95 -3.345 -6.721 -3.860 1.00 1.46 H new ATOM 1252 N ILE A 96 2.801 -9.309 -1.085 1.00 0.56 N ATOM 1253 CA ILE A 96 4.025 -8.651 -1.520 1.00 0.55 C ATOM 1254 C ILE A 96 3.784 -7.174 -1.774 1.00 0.49 C ATOM 1255 O ILE A 96 4.583 -6.319 -1.391 1.00 0.45 O ATOM 1256 CB ILE A 96 4.578 -9.318 -2.794 1.00 0.64 C ATOM 1257 CG1 ILE A 96 4.861 -10.791 -2.524 1.00 0.87 C ATOM 1258 CG2 ILE A 96 5.838 -8.617 -3.266 1.00 0.59 C ATOM 1259 CD1 ILE A 96 5.818 -10.999 -1.376 1.00 0.83 C ATOM 0 H ILE A 96 2.498 -10.074 -1.688 1.00 0.56 H new ATOM 0 HA ILE A 96 4.760 -8.752 -0.722 1.00 0.55 H new ATOM 0 HB ILE A 96 3.830 -9.237 -3.583 1.00 0.64 H new ATOM 0 HG12 ILE A 96 3.923 -11.303 -2.308 1.00 0.87 H new ATOM 0 HG13 ILE A 96 5.274 -11.248 -3.423 1.00 0.87 H new ATOM 0 HG21 ILE A 96 6.210 -9.105 -4.167 1.00 0.59 H new ATOM 0 HG22 ILE A 96 5.613 -7.573 -3.486 1.00 0.59 H new ATOM 0 HG23 ILE A 96 6.597 -8.668 -2.485 1.00 0.59 H new ATOM 0 HD11 ILE A 96 5.983 -12.066 -1.229 1.00 0.83 H new ATOM 0 HD12 ILE A 96 6.767 -10.513 -1.601 1.00 0.83 H new ATOM 0 HD13 ILE A 96 5.396 -10.568 -0.468 1.00 0.83 H new ATOM 1271 N LYS A 97 2.660 -6.892 -2.396 1.00 0.54 N ATOM 1272 CA LYS A 97 2.248 -5.528 -2.665 1.00 0.55 C ATOM 1273 C LYS A 97 1.968 -4.794 -1.354 1.00 0.50 C ATOM 1274 O LYS A 97 2.144 -3.581 -1.254 1.00 0.51 O ATOM 1275 CB LYS A 97 1.014 -5.563 -3.565 1.00 0.71 C ATOM 1276 CG LYS A 97 1.288 -6.254 -4.895 1.00 1.28 C ATOM 1277 CD LYS A 97 0.017 -6.740 -5.574 1.00 1.65 C ATOM 1278 CE LYS A 97 -0.950 -5.606 -5.850 1.00 1.73 C ATOM 1279 NZ LYS A 97 -0.353 -4.546 -6.702 1.00 1.59 N ATOM 0 H LYS A 97 2.005 -7.599 -2.730 1.00 0.54 H new ATOM 0 HA LYS A 97 3.043 -4.984 -3.176 1.00 0.55 H new ATOM 0 HB2 LYS A 97 0.205 -6.080 -3.049 1.00 0.71 H new ATOM 0 HB3 LYS A 97 0.673 -4.544 -3.751 1.00 0.71 H new ATOM 0 HG2 LYS A 97 1.809 -5.564 -5.558 1.00 1.28 H new ATOM 0 HG3 LYS A 97 1.954 -7.101 -4.730 1.00 1.28 H new ATOM 0 HD2 LYS A 97 0.273 -7.234 -6.511 1.00 1.65 H new ATOM 0 HD3 LYS A 97 -0.469 -7.485 -4.943 1.00 1.65 H new ATOM 0 HE2 LYS A 97 -1.840 -6.002 -6.339 1.00 1.73 H new ATOM 0 HE3 LYS A 97 -1.273 -5.169 -4.905 1.00 1.73 H new ATOM 0 HZ1 LYS A 97 -1.092 -3.873 -6.988 1.00 1.59 H new ATOM 0 HZ2 LYS A 97 0.384 -4.044 -6.166 1.00 1.59 H new ATOM 0 HZ3 LYS A 97 0.068 -4.978 -7.549 1.00 1.59 H new ATOM 1293 N GLY A 98 1.582 -5.557 -0.340 1.00 0.51 N ATOM 1294 CA GLY A 98 1.292 -4.990 0.964 1.00 0.52 C ATOM 1295 C GLY A 98 2.555 -4.647 1.722 1.00 0.43 C ATOM 1296 O GLY A 98 2.627 -3.605 2.376 1.00 0.48 O ATOM 0 H GLY A 98 1.463 -6.568 -0.398 1.00 0.51 H new ATOM 0 HA2 GLY A 98 0.686 -4.092 0.843 1.00 0.52 H new ATOM 0 HA3 GLY A 98 0.701 -5.698 1.545 1.00 0.52 H new ATOM 1300 N TYR A 99 3.551 -5.528 1.636 1.00 0.35 N ATOM 1301 CA TYR A 99 4.860 -5.254 2.217 1.00 0.29 C ATOM 1302 C TYR A 99 5.408 -3.971 1.612 1.00 0.31 C ATOM 1303 O TYR A 99 5.948 -3.111 2.306 1.00 0.32 O ATOM 1304 CB TYR A 99 5.857 -6.380 1.917 1.00 0.30 C ATOM 1305 CG TYR A 99 5.467 -7.764 2.395 1.00 0.38 C ATOM 1306 CD1 TYR A 99 4.803 -7.971 3.601 1.00 0.64 C ATOM 1307 CD2 TYR A 99 5.798 -8.875 1.631 1.00 0.98 C ATOM 1308 CE1 TYR A 99 4.483 -9.246 4.024 1.00 0.71 C ATOM 1309 CE2 TYR A 99 5.487 -10.151 2.053 1.00 1.11 C ATOM 1310 CZ TYR A 99 4.829 -10.331 3.246 1.00 0.72 C ATOM 1311 OH TYR A 99 4.527 -11.602 3.672 1.00 0.92 O ATOM 0 H TYR A 99 3.475 -6.433 1.171 1.00 0.35 H new ATOM 0 HA TYR A 99 4.737 -5.169 3.297 1.00 0.29 H new ATOM 0 HB2 TYR A 99 6.013 -6.421 0.839 1.00 0.30 H new ATOM 0 HB3 TYR A 99 6.814 -6.119 2.368 1.00 0.30 H new ATOM 0 HD1 TYR A 99 4.535 -7.123 4.214 1.00 0.64 H new ATOM 0 HD2 TYR A 99 6.308 -8.738 0.689 1.00 0.98 H new ATOM 0 HE1 TYR A 99 3.964 -9.393 4.960 1.00 0.71 H new ATOM 0 HE2 TYR A 99 5.759 -11.004 1.449 1.00 1.11 H new ATOM 0 HH TYR A 99 4.058 -11.556 4.531 1.00 0.92 H new ATOM 1321 N TYR A 100 5.243 -3.867 0.299 1.00 0.34 N ATOM 1322 CA TYR A 100 5.707 -2.724 -0.469 1.00 0.37 C ATOM 1323 C TYR A 100 5.110 -1.425 0.084 1.00 0.39 C ATOM 1324 O TYR A 100 5.797 -0.404 0.170 1.00 0.42 O ATOM 1325 CB TYR A 100 5.317 -2.924 -1.939 1.00 0.42 C ATOM 1326 CG TYR A 100 5.953 -1.956 -2.914 1.00 0.43 C ATOM 1327 CD1 TYR A 100 5.522 -0.638 -2.991 1.00 0.51 C ATOM 1328 CD2 TYR A 100 6.978 -2.366 -3.767 1.00 0.46 C ATOM 1329 CE1 TYR A 100 6.089 0.244 -3.884 1.00 0.60 C ATOM 1330 CE2 TYR A 100 7.550 -1.483 -4.669 1.00 0.55 C ATOM 1331 CZ TYR A 100 7.098 -0.182 -4.714 1.00 0.60 C ATOM 1332 OH TYR A 100 7.647 0.694 -5.608 1.00 0.73 O ATOM 0 H TYR A 100 4.780 -4.580 -0.264 1.00 0.34 H new ATOM 0 HA TYR A 100 6.791 -2.646 -0.391 1.00 0.37 H new ATOM 0 HB2 TYR A 100 5.584 -3.939 -2.234 1.00 0.42 H new ATOM 0 HB3 TYR A 100 4.234 -2.841 -2.025 1.00 0.42 H new ATOM 0 HD1 TYR A 100 4.729 -0.299 -2.340 1.00 0.51 H new ATOM 0 HD2 TYR A 100 7.331 -3.386 -3.724 1.00 0.46 H new ATOM 0 HE1 TYR A 100 5.742 1.266 -3.932 1.00 0.60 H new ATOM 0 HE2 TYR A 100 8.340 -1.810 -5.328 1.00 0.55 H new ATOM 0 HH TYR A 100 7.108 0.707 -6.427 1.00 0.73 H new ATOM 1342 N ARG A 101 3.836 -1.473 0.474 1.00 0.41 N ATOM 1343 CA ARG A 101 3.162 -0.299 1.035 1.00 0.46 C ATOM 1344 C ARG A 101 3.815 0.130 2.349 1.00 0.43 C ATOM 1345 O ARG A 101 4.055 1.320 2.572 1.00 0.46 O ATOM 1346 CB ARG A 101 1.674 -0.578 1.263 1.00 0.53 C ATOM 1347 CG ARG A 101 0.976 -1.166 0.049 1.00 0.82 C ATOM 1348 CD ARG A 101 1.078 -0.255 -1.165 1.00 1.06 C ATOM 1349 NE ARG A 101 1.111 -1.022 -2.409 1.00 1.18 N ATOM 1350 CZ ARG A 101 0.090 -1.133 -3.258 1.00 1.58 C ATOM 1351 NH1 ARG A 101 -1.053 -0.495 -3.026 1.00 2.34 N ATOM 1352 NH2 ARG A 101 0.219 -1.869 -4.354 1.00 1.89 N ATOM 0 H ARG A 101 3.252 -2.307 0.413 1.00 0.41 H new ATOM 0 HA ARG A 101 3.260 0.512 0.313 1.00 0.46 H new ATOM 0 HB2 ARG A 101 1.565 -1.264 2.103 1.00 0.53 H new ATOM 0 HB3 ARG A 101 1.177 0.351 1.544 1.00 0.53 H new ATOM 0 HG2 ARG A 101 1.415 -2.135 -0.187 1.00 0.82 H new ATOM 0 HG3 ARG A 101 -0.074 -1.341 0.284 1.00 0.82 H new ATOM 0 HD2 ARG A 101 0.229 0.429 -1.180 1.00 1.06 H new ATOM 0 HD3 ARG A 101 1.978 0.355 -1.089 1.00 1.06 H new ATOM 0 HE ARG A 101 1.977 -1.507 -2.644 1.00 1.18 H new ATOM 0 HH11 ARG A 101 -1.153 0.085 -2.193 1.00 2.34 H new ATOM 0 HH12 ARG A 101 -1.830 -0.585 -3.681 1.00 2.34 H new ATOM 0 HH21 ARG A 101 1.099 -2.349 -4.546 1.00 1.89 H new ATOM 0 HH22 ARG A 101 -0.561 -1.955 -5.005 1.00 1.89 H new ATOM 1366 N ARG A 102 4.107 -0.837 3.216 1.00 0.41 N ATOM 1367 CA ARG A 102 4.778 -0.543 4.481 1.00 0.43 C ATOM 1368 C ARG A 102 6.190 -0.033 4.220 1.00 0.37 C ATOM 1369 O ARG A 102 6.655 0.909 4.866 1.00 0.38 O ATOM 1370 CB ARG A 102 4.848 -1.778 5.385 1.00 0.52 C ATOM 1371 CG ARG A 102 5.608 -1.514 6.678 1.00 0.87 C ATOM 1372 CD ARG A 102 6.129 -2.793 7.309 1.00 1.12 C ATOM 1373 NE ARG A 102 5.172 -3.421 8.219 1.00 1.87 N ATOM 1374 CZ ARG A 102 5.338 -4.644 8.719 1.00 2.58 C ATOM 1375 NH1 ARG A 102 6.358 -5.392 8.312 1.00 2.78 N ATOM 1376 NH2 ARG A 102 4.478 -5.124 9.607 1.00 3.57 N ATOM 0 H ARG A 102 3.892 -1.823 3.068 1.00 0.41 H new ATOM 0 HA ARG A 102 4.193 0.223 4.990 1.00 0.43 H new ATOM 0 HB2 ARG A 102 3.837 -2.107 5.623 1.00 0.52 H new ATOM 0 HB3 ARG A 102 5.330 -2.593 4.844 1.00 0.52 H new ATOM 0 HG2 ARG A 102 6.444 -0.844 6.476 1.00 0.87 H new ATOM 0 HG3 ARG A 102 4.954 -1.003 7.384 1.00 0.87 H new ATOM 0 HD2 ARG A 102 6.387 -3.500 6.520 1.00 1.12 H new ATOM 0 HD3 ARG A 102 7.047 -2.573 7.854 1.00 1.12 H new ATOM 0 HE ARG A 102 4.338 -2.897 8.483 1.00 1.87 H new ATOM 0 HH11 ARG A 102 7.012 -5.029 7.618 1.00 2.78 H new ATOM 0 HH12 ARG A 102 6.487 -6.329 8.693 1.00 2.78 H new ATOM 0 HH21 ARG A 102 3.686 -4.556 9.909 1.00 3.57 H new ATOM 0 HH22 ARG A 102 4.608 -6.061 9.988 1.00 3.57 H new ATOM 1390 N ALA A 103 6.860 -0.666 3.268 1.00 0.34 N ATOM 1391 CA ALA A 103 8.205 -0.277 2.881 1.00 0.32 C ATOM 1392 C ALA A 103 8.248 1.191 2.460 1.00 0.33 C ATOM 1393 O ALA A 103 9.149 1.929 2.847 1.00 0.35 O ATOM 1394 CB ALA A 103 8.700 -1.167 1.755 1.00 0.33 C ATOM 0 H ALA A 103 6.488 -1.459 2.746 1.00 0.34 H new ATOM 0 HA ALA A 103 8.861 -0.400 3.743 1.00 0.32 H new ATOM 0 HB1 ALA A 103 9.709 -0.868 1.472 1.00 0.33 H new ATOM 0 HB2 ALA A 103 8.709 -2.205 2.089 1.00 0.33 H new ATOM 0 HB3 ALA A 103 8.037 -1.068 0.895 1.00 0.33 H new ATOM 1400 N ALA A 104 7.253 1.613 1.682 1.00 0.33 N ATOM 1401 CA ALA A 104 7.165 2.997 1.231 1.00 0.35 C ATOM 1402 C ALA A 104 6.941 3.930 2.412 1.00 0.35 C ATOM 1403 O ALA A 104 7.503 5.024 2.470 1.00 0.38 O ATOM 1404 CB ALA A 104 6.049 3.152 0.209 1.00 0.39 C ATOM 0 H ALA A 104 6.496 1.014 1.351 1.00 0.33 H new ATOM 0 HA ALA A 104 8.108 3.266 0.756 1.00 0.35 H new ATOM 0 HB1 ALA A 104 5.996 4.191 -0.118 1.00 0.39 H new ATOM 0 HB2 ALA A 104 6.250 2.511 -0.650 1.00 0.39 H new ATOM 0 HB3 ALA A 104 5.099 2.865 0.661 1.00 0.39 H new ATOM 1410 N SER A 105 6.129 3.480 3.357 1.00 0.34 N ATOM 1411 CA SER A 105 5.870 4.232 4.576 1.00 0.36 C ATOM 1412 C SER A 105 7.170 4.461 5.347 1.00 0.34 C ATOM 1413 O SER A 105 7.486 5.586 5.730 1.00 0.33 O ATOM 1414 CB SER A 105 4.856 3.474 5.435 1.00 0.40 C ATOM 1415 OG SER A 105 3.602 3.381 4.781 1.00 0.64 O ATOM 0 H SER A 105 5.634 2.590 3.302 1.00 0.34 H new ATOM 0 HA SER A 105 5.457 5.207 4.318 1.00 0.36 H new ATOM 0 HB2 SER A 105 5.232 2.474 5.650 1.00 0.40 H new ATOM 0 HB3 SER A 105 4.734 3.981 6.392 1.00 0.40 H new ATOM 0 HG SER A 105 3.658 2.721 4.058 1.00 0.64 H new ATOM 1421 N ASN A 106 7.937 3.391 5.538 1.00 0.36 N ATOM 1422 CA ASN A 106 9.218 3.471 6.235 1.00 0.37 C ATOM 1423 C ASN A 106 10.198 4.347 5.470 1.00 0.36 C ATOM 1424 O ASN A 106 10.877 5.196 6.053 1.00 0.37 O ATOM 1425 CB ASN A 106 9.824 2.078 6.420 1.00 0.40 C ATOM 1426 CG ASN A 106 9.202 1.300 7.562 1.00 0.43 C ATOM 1427 OD1 ASN A 106 8.858 1.986 8.642 1.00 1.09 O flip ATOM 1428 ND2 ASN A 106 9.057 0.084 7.486 1.00 1.32 N flip ATOM 0 H ASN A 106 7.692 2.454 5.218 1.00 0.36 H new ATOM 0 HA ASN A 106 9.032 3.914 7.213 1.00 0.37 H new ATOM 0 HB2 ASN A 106 9.704 1.512 5.496 1.00 0.40 H new ATOM 0 HB3 ASN A 106 10.895 2.176 6.597 1.00 0.40 H new ATOM 0 HD21 ASN A 106 9.334 -0.411 6.638 1.00 1.32 H new ATOM 0 HD22 ASN A 106 8.660 -0.432 8.271 1.00 1.32 H new ATOM 1435 N MET A 107 10.251 4.137 4.160 1.00 0.38 N ATOM 1436 CA MET A 107 11.162 4.864 3.284 1.00 0.40 C ATOM 1437 C MET A 107 10.893 6.362 3.368 1.00 0.40 C ATOM 1438 O MET A 107 11.817 7.172 3.431 1.00 0.45 O ATOM 1439 CB MET A 107 10.980 4.372 1.843 1.00 0.46 C ATOM 1440 CG MET A 107 12.254 4.372 1.011 1.00 0.44 C ATOM 1441 SD MET A 107 12.855 6.024 0.614 1.00 1.26 S ATOM 1442 CE MET A 107 14.297 5.615 -0.367 1.00 0.70 C ATOM 0 H MET A 107 9.664 3.458 3.675 1.00 0.38 H new ATOM 0 HA MET A 107 12.189 4.682 3.601 1.00 0.40 H new ATOM 0 HB2 MET A 107 10.576 3.360 1.866 1.00 0.46 H new ATOM 0 HB3 MET A 107 10.238 5.000 1.349 1.00 0.46 H new ATOM 0 HG2 MET A 107 13.031 3.832 1.551 1.00 0.44 H new ATOM 0 HG3 MET A 107 12.073 3.828 0.084 1.00 0.44 H new ATOM 0 HE1 MET A 107 14.400 6.334 -1.180 1.00 0.70 H new ATOM 0 HE2 MET A 107 15.186 5.648 0.262 1.00 0.70 H new ATOM 0 HE3 MET A 107 14.183 4.613 -0.781 1.00 0.70 H new ATOM 1452 N ALA A 108 9.615 6.715 3.401 1.00 0.36 N ATOM 1453 CA ALA A 108 9.197 8.107 3.436 1.00 0.38 C ATOM 1454 C ALA A 108 9.415 8.734 4.814 1.00 0.39 C ATOM 1455 O ALA A 108 9.615 9.945 4.928 1.00 0.43 O ATOM 1456 CB ALA A 108 7.738 8.214 3.025 1.00 0.38 C ATOM 0 H ALA A 108 8.844 6.047 3.404 1.00 0.36 H new ATOM 0 HA ALA A 108 9.814 8.663 2.730 1.00 0.38 H new ATOM 0 HB1 ALA A 108 7.428 9.259 3.052 1.00 0.38 H new ATOM 0 HB2 ALA A 108 7.615 7.825 2.014 1.00 0.38 H new ATOM 0 HB3 ALA A 108 7.123 7.635 3.713 1.00 0.38 H new ATOM 1462 N LEU A 109 9.373 7.910 5.855 1.00 0.38 N ATOM 1463 CA LEU A 109 9.592 8.387 7.221 1.00 0.40 C ATOM 1464 C LEU A 109 11.072 8.654 7.476 1.00 0.43 C ATOM 1465 O LEU A 109 11.433 9.660 8.088 1.00 0.65 O ATOM 1466 CB LEU A 109 9.066 7.373 8.242 1.00 0.38 C ATOM 1467 CG LEU A 109 7.547 7.204 8.272 1.00 0.48 C ATOM 1468 CD1 LEU A 109 7.156 6.075 9.211 1.00 0.75 C ATOM 1469 CD2 LEU A 109 6.875 8.501 8.696 1.00 0.82 C ATOM 0 H LEU A 109 9.190 6.909 5.782 1.00 0.38 H new ATOM 0 HA LEU A 109 9.043 9.322 7.336 1.00 0.40 H new ATOM 0 HB2 LEU A 109 9.519 6.404 8.033 1.00 0.38 H new ATOM 0 HB3 LEU A 109 9.401 7.674 9.234 1.00 0.38 H new ATOM 0 HG LEU A 109 7.209 6.952 7.267 1.00 0.48 H new ATOM 0 HD11 LEU A 109 6.071 5.969 9.220 1.00 0.75 H new ATOM 0 HD12 LEU A 109 7.609 5.144 8.869 1.00 0.75 H new ATOM 0 HD13 LEU A 109 7.507 6.301 10.218 1.00 0.75 H new ATOM 0 HD21 LEU A 109 5.794 8.362 8.712 1.00 0.82 H new ATOM 0 HD22 LEU A 109 7.220 8.781 9.692 1.00 0.82 H new ATOM 0 HD23 LEU A 109 7.129 9.291 7.989 1.00 0.82 H new ATOM 1481 N GLY A 110 11.921 7.757 6.993 1.00 0.39 N ATOM 1482 CA GLY A 110 13.349 7.898 7.210 1.00 0.41 C ATOM 1483 C GLY A 110 13.996 6.587 7.603 1.00 0.39 C ATOM 1484 O GLY A 110 15.217 6.491 7.722 1.00 0.47 O ATOM 0 H GLY A 110 11.648 6.935 6.455 1.00 0.39 H new ATOM 0 HA2 GLY A 110 13.818 8.276 6.301 1.00 0.41 H new ATOM 0 HA3 GLY A 110 13.526 8.638 7.991 1.00 0.41 H new ATOM 1488 N LYS A 111 13.173 5.571 7.803 1.00 0.36 N ATOM 1489 CA LYS A 111 13.661 4.242 8.138 1.00 0.38 C ATOM 1490 C LYS A 111 14.044 3.484 6.879 1.00 0.30 C ATOM 1491 O LYS A 111 13.367 2.537 6.479 1.00 0.32 O ATOM 1492 CB LYS A 111 12.602 3.469 8.921 1.00 0.53 C ATOM 1493 CG LYS A 111 12.433 3.962 10.343 1.00 0.74 C ATOM 1494 CD LYS A 111 11.224 3.342 11.014 1.00 0.54 C ATOM 1495 CE LYS A 111 11.183 3.677 12.495 1.00 1.22 C ATOM 1496 NZ LYS A 111 11.196 5.143 12.745 1.00 1.73 N ATOM 0 H LYS A 111 12.157 5.642 7.739 1.00 0.36 H new ATOM 0 HA LYS A 111 14.548 4.347 8.762 1.00 0.38 H new ATOM 0 HB2 LYS A 111 11.647 3.545 8.401 1.00 0.53 H new ATOM 0 HB3 LYS A 111 12.872 2.413 8.939 1.00 0.53 H new ATOM 0 HG2 LYS A 111 13.328 3.726 10.918 1.00 0.74 H new ATOM 0 HG3 LYS A 111 12.331 5.047 10.342 1.00 0.74 H new ATOM 0 HD2 LYS A 111 10.314 3.701 10.532 1.00 0.54 H new ATOM 0 HD3 LYS A 111 11.248 2.260 10.884 1.00 0.54 H new ATOM 0 HE2 LYS A 111 10.286 3.244 12.938 1.00 1.22 H new ATOM 0 HE3 LYS A 111 12.038 3.219 12.992 1.00 1.22 H new ATOM 0 HZ1 LYS A 111 11.014 5.325 13.753 1.00 1.73 H new ATOM 0 HZ2 LYS A 111 12.125 5.531 12.485 1.00 1.73 H new ATOM 0 HZ3 LYS A 111 10.458 5.599 12.172 1.00 1.73 H new ATOM 1510 N PHE A 112 15.128 3.920 6.252 1.00 0.30 N ATOM 1511 CA PHE A 112 15.592 3.328 5.005 1.00 0.29 C ATOM 1512 C PHE A 112 15.993 1.868 5.181 1.00 0.30 C ATOM 1513 O PHE A 112 15.845 1.071 4.262 1.00 0.34 O ATOM 1514 CB PHE A 112 16.767 4.130 4.442 1.00 0.35 C ATOM 1515 CG PHE A 112 16.436 5.573 4.210 1.00 0.39 C ATOM 1516 CD1 PHE A 112 15.686 5.957 3.113 1.00 0.41 C ATOM 1517 CD2 PHE A 112 16.857 6.543 5.100 1.00 0.48 C ATOM 1518 CE1 PHE A 112 15.367 7.286 2.907 1.00 0.48 C ATOM 1519 CE2 PHE A 112 16.539 7.871 4.902 1.00 0.54 C ATOM 1520 CZ PHE A 112 15.792 8.242 3.805 1.00 0.53 C ATOM 0 H PHE A 112 15.707 4.689 6.590 1.00 0.30 H new ATOM 0 HA PHE A 112 14.761 3.360 4.301 1.00 0.29 H new ATOM 0 HB2 PHE A 112 17.609 4.063 5.131 1.00 0.35 H new ATOM 0 HB3 PHE A 112 17.088 3.681 3.502 1.00 0.35 H new ATOM 0 HD1 PHE A 112 15.346 5.211 2.410 1.00 0.41 H new ATOM 0 HD2 PHE A 112 17.442 6.258 5.962 1.00 0.48 H new ATOM 0 HE1 PHE A 112 14.786 7.575 2.044 1.00 0.48 H new ATOM 0 HE2 PHE A 112 16.875 8.618 5.606 1.00 0.54 H new ATOM 0 HZ PHE A 112 15.540 9.280 3.649 1.00 0.53 H new ATOM 1530 N ARG A 113 16.492 1.504 6.356 1.00 0.34 N ATOM 1531 CA ARG A 113 16.880 0.117 6.592 1.00 0.38 C ATOM 1532 C ARG A 113 15.637 -0.755 6.725 1.00 0.34 C ATOM 1533 O ARG A 113 15.589 -1.874 6.216 1.00 0.34 O ATOM 1534 CB ARG A 113 17.723 -0.029 7.853 1.00 0.49 C ATOM 1535 CG ARG A 113 18.832 1.003 8.002 1.00 1.21 C ATOM 1536 CD ARG A 113 19.725 0.679 9.191 1.00 1.58 C ATOM 1537 NE ARG A 113 18.948 0.301 10.375 1.00 2.42 N ATOM 1538 CZ ARG A 113 19.474 -0.271 11.462 1.00 3.14 C ATOM 1539 NH1 ARG A 113 20.788 -0.455 11.554 1.00 3.25 N ATOM 1540 NH2 ARG A 113 18.691 -0.656 12.461 1.00 4.15 N ATOM 0 H ARG A 113 16.636 2.134 7.146 1.00 0.34 H new ATOM 0 HA ARG A 113 17.478 -0.203 5.739 1.00 0.38 H new ATOM 0 HB2 ARG A 113 17.067 0.035 8.721 1.00 0.49 H new ATOM 0 HB3 ARG A 113 18.168 -1.024 7.863 1.00 0.49 H new ATOM 0 HG2 ARG A 113 19.430 1.033 7.091 1.00 1.21 H new ATOM 0 HG3 ARG A 113 18.396 1.994 8.130 1.00 1.21 H new ATOM 0 HD2 ARG A 113 20.400 -0.134 8.926 1.00 1.58 H new ATOM 0 HD3 ARG A 113 20.345 1.545 9.425 1.00 1.58 H new ATOM 0 HE ARG A 113 17.945 0.486 10.369 1.00 2.42 H new ATOM 0 HH11 ARG A 113 21.399 -0.159 10.793 1.00 3.25 H new ATOM 0 HH12 ARG A 113 21.185 -0.892 12.386 1.00 3.25 H new ATOM 0 HH21 ARG A 113 17.682 -0.516 12.402 1.00 4.15 H new ATOM 0 HH22 ARG A 113 19.097 -1.092 13.289 1.00 4.15 H new ATOM 1554 N ALA A 114 14.630 -0.226 7.413 1.00 0.34 N ATOM 1555 CA ALA A 114 13.369 -0.934 7.590 1.00 0.34 C ATOM 1556 C ALA A 114 12.641 -1.044 6.259 1.00 0.28 C ATOM 1557 O ALA A 114 12.030 -2.064 5.952 1.00 0.30 O ATOM 1558 CB ALA A 114 12.498 -0.226 8.618 1.00 0.40 C ATOM 0 H ALA A 114 14.664 0.692 7.857 1.00 0.34 H new ATOM 0 HA ALA A 114 13.581 -1.938 7.957 1.00 0.34 H new ATOM 0 HB1 ALA A 114 11.561 -0.769 8.737 1.00 0.40 H new ATOM 0 HB2 ALA A 114 13.020 -0.190 9.574 1.00 0.40 H new ATOM 0 HB3 ALA A 114 12.289 0.789 8.280 1.00 0.40 H new ATOM 1564 N ALA A 115 12.747 0.010 5.463 1.00 0.26 N ATOM 1565 CA ALA A 115 12.150 0.032 4.143 1.00 0.23 C ATOM 1566 C ALA A 115 12.878 -0.940 3.240 1.00 0.23 C ATOM 1567 O ALA A 115 12.268 -1.627 2.422 1.00 0.25 O ATOM 1568 CB ALA A 115 12.207 1.435 3.561 1.00 0.23 C ATOM 0 H ALA A 115 13.245 0.864 5.714 1.00 0.26 H new ATOM 0 HA ALA A 115 11.104 -0.266 4.220 1.00 0.23 H new ATOM 0 HB1 ALA A 115 11.755 1.436 2.569 1.00 0.23 H new ATOM 0 HB2 ALA A 115 11.661 2.120 4.209 1.00 0.23 H new ATOM 0 HB3 ALA A 115 13.246 1.756 3.486 1.00 0.23 H new ATOM 1574 N LEU A 116 14.191 -1.005 3.419 1.00 0.24 N ATOM 1575 CA LEU A 116 15.018 -1.897 2.637 1.00 0.28 C ATOM 1576 C LEU A 116 14.624 -3.337 2.861 1.00 0.29 C ATOM 1577 O LEU A 116 14.405 -4.055 1.910 1.00 0.30 O ATOM 1578 CB LEU A 116 16.498 -1.736 2.974 1.00 0.32 C ATOM 1579 CG LEU A 116 17.419 -2.627 2.140 1.00 0.40 C ATOM 1580 CD1 LEU A 116 17.175 -2.384 0.664 1.00 0.47 C ATOM 1581 CD2 LEU A 116 18.879 -2.396 2.490 1.00 0.49 C ATOM 0 H LEU A 116 14.702 -0.446 4.103 1.00 0.24 H new ATOM 0 HA LEU A 116 14.861 -1.631 1.592 1.00 0.28 H new ATOM 0 HB2 LEU A 116 16.784 -0.694 2.827 1.00 0.32 H new ATOM 0 HB3 LEU A 116 16.648 -1.961 4.030 1.00 0.32 H new ATOM 0 HG LEU A 116 17.189 -3.667 2.370 1.00 0.40 H new ATOM 0 HD11 LEU A 116 17.835 -3.022 0.076 1.00 0.47 H new ATOM 0 HD12 LEU A 116 16.137 -2.616 0.424 1.00 0.47 H new ATOM 0 HD13 LEU A 116 17.377 -1.339 0.429 1.00 0.47 H new ATOM 0 HD21 LEU A 116 19.507 -3.045 1.879 1.00 0.49 H new ATOM 0 HD22 LEU A 116 19.139 -1.355 2.298 1.00 0.49 H new ATOM 0 HD23 LEU A 116 19.041 -2.622 3.544 1.00 0.49 H new ATOM 1593 N ARG A 117 14.528 -3.752 4.112 1.00 0.34 N ATOM 1594 CA ARG A 117 14.247 -5.150 4.420 1.00 0.40 C ATOM 1595 C ARG A 117 12.816 -5.528 4.035 1.00 0.34 C ATOM 1596 O ARG A 117 12.519 -6.697 3.773 1.00 0.35 O ATOM 1597 CB ARG A 117 14.526 -5.439 5.895 1.00 0.57 C ATOM 1598 CG ARG A 117 13.748 -4.567 6.861 1.00 0.70 C ATOM 1599 CD ARG A 117 14.375 -4.601 8.244 1.00 1.01 C ATOM 1600 NE ARG A 117 15.772 -4.169 8.201 1.00 1.90 N ATOM 1601 CZ ARG A 117 16.621 -4.252 9.225 1.00 2.55 C ATOM 1602 NH1 ARG A 117 16.219 -4.719 10.404 1.00 2.45 N ATOM 1603 NH2 ARG A 117 17.878 -3.867 9.062 1.00 3.56 N ATOM 0 H ARG A 117 14.639 -3.149 4.927 1.00 0.34 H new ATOM 0 HA ARG A 117 14.914 -5.771 3.823 1.00 0.40 H new ATOM 0 HB2 ARG A 117 14.292 -6.484 6.099 1.00 0.57 H new ATOM 0 HB3 ARG A 117 15.592 -5.308 6.083 1.00 0.57 H new ATOM 0 HG2 ARG A 117 13.724 -3.541 6.493 1.00 0.70 H new ATOM 0 HG3 ARG A 117 12.715 -4.910 6.917 1.00 0.70 H new ATOM 0 HD2 ARG A 117 13.812 -3.955 8.918 1.00 1.01 H new ATOM 0 HD3 ARG A 117 14.316 -5.611 8.648 1.00 1.01 H new ATOM 0 HE ARG A 117 16.121 -3.777 7.326 1.00 1.90 H new ATOM 0 HH11 ARG A 117 15.252 -5.018 10.531 1.00 2.45 H new ATOM 0 HH12 ARG A 117 16.878 -4.778 11.181 1.00 2.45 H new ATOM 0 HH21 ARG A 117 18.189 -3.511 8.158 1.00 3.56 H new ATOM 0 HH22 ARG A 117 18.535 -3.927 9.840 1.00 3.56 H new ATOM 1617 N ASP A 118 11.937 -4.538 3.978 1.00 0.33 N ATOM 1618 CA ASP A 118 10.580 -4.764 3.505 1.00 0.33 C ATOM 1619 C ASP A 118 10.551 -4.869 1.980 1.00 0.28 C ATOM 1620 O ASP A 118 9.976 -5.810 1.432 1.00 0.31 O ATOM 1621 CB ASP A 118 9.637 -3.673 4.011 1.00 0.40 C ATOM 1622 CG ASP A 118 8.985 -4.055 5.329 1.00 0.63 C ATOM 1623 OD1 ASP A 118 9.657 -3.986 6.383 1.00 1.06 O ATOM 1624 OD2 ASP A 118 7.806 -4.457 5.320 1.00 0.77 O ATOM 0 H ASP A 118 12.138 -3.576 4.252 1.00 0.33 H new ATOM 0 HA ASP A 118 10.228 -5.713 3.910 1.00 0.33 H new ATOM 0 HB2 ASP A 118 10.192 -2.743 4.136 1.00 0.40 H new ATOM 0 HB3 ASP A 118 8.865 -3.486 3.265 1.00 0.40 H new ATOM 1629 N TYR A 119 11.199 -3.922 1.298 1.00 0.24 N ATOM 1630 CA TYR A 119 11.354 -3.994 -0.160 1.00 0.26 C ATOM 1631 C TYR A 119 12.149 -5.231 -0.548 1.00 0.28 C ATOM 1632 O TYR A 119 11.928 -5.829 -1.599 1.00 0.33 O ATOM 1633 CB TYR A 119 12.068 -2.751 -0.708 1.00 0.28 C ATOM 1634 CG TYR A 119 11.175 -1.547 -0.883 1.00 0.33 C ATOM 1635 CD1 TYR A 119 9.972 -1.650 -1.569 1.00 0.38 C ATOM 1636 CD2 TYR A 119 11.538 -0.306 -0.374 1.00 0.38 C ATOM 1637 CE1 TYR A 119 9.154 -0.552 -1.738 1.00 0.46 C ATOM 1638 CE2 TYR A 119 10.722 0.798 -0.541 1.00 0.47 C ATOM 1639 CZ TYR A 119 9.532 0.668 -1.225 1.00 0.50 C ATOM 1640 OH TYR A 119 8.719 1.763 -1.399 1.00 0.60 O ATOM 0 H TYR A 119 11.623 -3.100 1.727 1.00 0.24 H new ATOM 0 HA TYR A 119 10.354 -4.046 -0.592 1.00 0.26 H new ATOM 0 HB2 TYR A 119 12.884 -2.489 -0.034 1.00 0.28 H new ATOM 0 HB3 TYR A 119 12.516 -2.999 -1.670 1.00 0.28 H new ATOM 0 HD1 TYR A 119 9.672 -2.604 -1.976 1.00 0.38 H new ATOM 0 HD2 TYR A 119 12.471 -0.202 0.160 1.00 0.38 H new ATOM 0 HE1 TYR A 119 8.220 -0.649 -2.271 1.00 0.46 H new ATOM 0 HE2 TYR A 119 11.015 1.756 -0.138 1.00 0.47 H new ATOM 0 HH TYR A 119 7.829 1.468 -1.684 1.00 0.60 H new ATOM 1650 N GLU A 120 13.078 -5.591 0.318 1.00 0.28 N ATOM 1651 CA GLU A 120 13.937 -6.743 0.130 1.00 0.34 C ATOM 1652 C GLU A 120 13.105 -7.999 -0.007 1.00 0.37 C ATOM 1653 O GLU A 120 13.288 -8.780 -0.930 1.00 0.43 O ATOM 1654 CB GLU A 120 14.874 -6.874 1.326 1.00 0.36 C ATOM 1655 CG GLU A 120 16.076 -7.764 1.082 1.00 0.42 C ATOM 1656 CD GLU A 120 16.801 -8.119 2.366 1.00 0.48 C ATOM 1657 OE1 GLU A 120 17.439 -7.231 2.963 1.00 0.58 O ATOM 1658 OE2 GLU A 120 16.720 -9.294 2.796 1.00 0.61 O ATOM 0 H GLU A 120 13.259 -5.083 1.184 1.00 0.28 H new ATOM 0 HA GLU A 120 14.521 -6.609 -0.780 1.00 0.34 H new ATOM 0 HB2 GLU A 120 15.223 -5.881 1.609 1.00 0.36 H new ATOM 0 HB3 GLU A 120 14.311 -7.268 2.172 1.00 0.36 H new ATOM 0 HG2 GLU A 120 15.753 -8.679 0.585 1.00 0.42 H new ATOM 0 HG3 GLU A 120 16.766 -7.261 0.405 1.00 0.42 H new ATOM 1665 N THR A 121 12.179 -8.181 0.916 1.00 0.36 N ATOM 1666 CA THR A 121 11.287 -9.317 0.869 1.00 0.40 C ATOM 1667 C THR A 121 10.440 -9.275 -0.405 1.00 0.40 C ATOM 1668 O THR A 121 10.218 -10.300 -1.051 1.00 0.45 O ATOM 1669 CB THR A 121 10.386 -9.348 2.110 1.00 0.41 C ATOM 1670 OG1 THR A 121 11.195 -9.261 3.297 1.00 0.43 O ATOM 1671 CG2 THR A 121 9.566 -10.629 2.138 1.00 0.47 C ATOM 0 H THR A 121 12.027 -7.555 1.707 1.00 0.36 H new ATOM 0 HA THR A 121 11.887 -10.227 0.859 1.00 0.40 H new ATOM 0 HB THR A 121 9.705 -8.498 2.072 1.00 0.41 H new ATOM 0 HG1 THR A 121 11.500 -8.337 3.418 1.00 0.43 H new ATOM 0 HG21 THR A 121 8.932 -10.636 3.025 1.00 0.47 H new ATOM 0 HG22 THR A 121 8.942 -10.681 1.246 1.00 0.47 H new ATOM 0 HG23 THR A 121 10.235 -11.489 2.164 1.00 0.47 H new ATOM 1679 N VAL A 122 10.010 -8.071 -0.778 1.00 0.37 N ATOM 1680 CA VAL A 122 9.257 -7.866 -2.011 1.00 0.39 C ATOM 1681 C VAL A 122 10.054 -8.363 -3.218 1.00 0.44 C ATOM 1682 O VAL A 122 9.543 -9.121 -4.046 1.00 0.50 O ATOM 1683 CB VAL A 122 8.906 -6.371 -2.211 1.00 0.38 C ATOM 1684 CG1 VAL A 122 8.182 -6.143 -3.525 1.00 0.43 C ATOM 1685 CG2 VAL A 122 8.070 -5.855 -1.051 1.00 0.36 C ATOM 0 H VAL A 122 10.172 -7.220 -0.240 1.00 0.37 H new ATOM 0 HA VAL A 122 8.332 -8.437 -1.927 1.00 0.39 H new ATOM 0 HB VAL A 122 9.843 -5.814 -2.242 1.00 0.38 H new ATOM 0 HG11 VAL A 122 7.950 -5.083 -3.634 1.00 0.43 H new ATOM 0 HG12 VAL A 122 8.818 -6.462 -4.351 1.00 0.43 H new ATOM 0 HG13 VAL A 122 7.257 -6.719 -3.536 1.00 0.43 H new ATOM 0 HG21 VAL A 122 7.835 -4.803 -1.212 1.00 0.36 H new ATOM 0 HG22 VAL A 122 7.145 -6.428 -0.986 1.00 0.36 H new ATOM 0 HG23 VAL A 122 8.630 -5.964 -0.122 1.00 0.36 H new ATOM 1695 N VAL A 123 11.315 -7.959 -3.292 1.00 0.44 N ATOM 1696 CA VAL A 123 12.162 -8.298 -4.428 1.00 0.51 C ATOM 1697 C VAL A 123 12.642 -9.751 -4.353 1.00 0.57 C ATOM 1698 O VAL A 123 13.039 -10.333 -5.358 1.00 0.67 O ATOM 1699 CB VAL A 123 13.379 -7.342 -4.529 1.00 0.50 C ATOM 1700 CG1 VAL A 123 14.466 -7.717 -3.535 1.00 0.48 C ATOM 1701 CG2 VAL A 123 13.925 -7.315 -5.947 1.00 0.59 C ATOM 0 H VAL A 123 11.775 -7.395 -2.577 1.00 0.44 H new ATOM 0 HA VAL A 123 11.555 -8.181 -5.326 1.00 0.51 H new ATOM 0 HB VAL A 123 13.035 -6.339 -4.275 1.00 0.50 H new ATOM 0 HG11 VAL A 123 15.303 -7.026 -3.634 1.00 0.48 H new ATOM 0 HG12 VAL A 123 14.067 -7.662 -2.522 1.00 0.48 H new ATOM 0 HG13 VAL A 123 14.808 -8.732 -3.736 1.00 0.48 H new ATOM 0 HG21 VAL A 123 14.778 -6.638 -5.996 1.00 0.59 H new ATOM 0 HG22 VAL A 123 14.241 -8.318 -6.235 1.00 0.59 H new ATOM 0 HG23 VAL A 123 13.148 -6.969 -6.629 1.00 0.59 H new ATOM 1711 N LYS A 124 12.596 -10.344 -3.164 1.00 0.55 N ATOM 1712 CA LYS A 124 13.021 -11.730 -2.997 1.00 0.61 C ATOM 1713 C LYS A 124 11.902 -12.690 -3.371 1.00 0.63 C ATOM 1714 O LYS A 124 12.132 -13.883 -3.566 1.00 0.72 O ATOM 1715 CB LYS A 124 13.504 -11.994 -1.568 1.00 0.62 C ATOM 1716 CG LYS A 124 14.814 -11.288 -1.245 1.00 0.67 C ATOM 1717 CD LYS A 124 15.341 -11.635 0.137 1.00 0.75 C ATOM 1718 CE LYS A 124 14.368 -11.244 1.238 1.00 0.67 C ATOM 1719 NZ LYS A 124 14.988 -11.349 2.584 1.00 1.07 N ATOM 0 H LYS A 124 12.272 -9.892 -2.309 1.00 0.55 H new ATOM 0 HA LYS A 124 13.859 -11.902 -3.672 1.00 0.61 H new ATOM 0 HB2 LYS A 124 12.738 -11.667 -0.865 1.00 0.62 H new ATOM 0 HB3 LYS A 124 13.631 -13.067 -1.425 1.00 0.62 H new ATOM 0 HG2 LYS A 124 15.561 -11.557 -1.992 1.00 0.67 H new ATOM 0 HG3 LYS A 124 14.668 -10.210 -1.314 1.00 0.67 H new ATOM 0 HD2 LYS A 124 15.537 -12.706 0.191 1.00 0.75 H new ATOM 0 HD3 LYS A 124 16.293 -11.129 0.299 1.00 0.75 H new ATOM 0 HE2 LYS A 124 14.025 -10.222 1.074 1.00 0.67 H new ATOM 0 HE3 LYS A 124 13.489 -11.887 1.191 1.00 0.67 H new ATOM 0 HZ1 LYS A 124 14.270 -11.646 3.275 1.00 1.07 H new ATOM 0 HZ2 LYS A 124 15.755 -12.050 2.559 1.00 1.07 H new ATOM 0 HZ3 LYS A 124 15.373 -10.424 2.862 1.00 1.07 H new ATOM 1733 N VAL A 125 10.688 -12.173 -3.458 1.00 0.59 N ATOM 1734 CA VAL A 125 9.562 -12.969 -3.919 1.00 0.63 C ATOM 1735 C VAL A 125 9.295 -12.713 -5.401 1.00 0.69 C ATOM 1736 O VAL A 125 9.083 -13.648 -6.171 1.00 0.75 O ATOM 1737 CB VAL A 125 8.294 -12.695 -3.087 1.00 0.60 C ATOM 1738 CG1 VAL A 125 7.130 -13.551 -3.572 1.00 0.66 C ATOM 1739 CG2 VAL A 125 8.572 -12.957 -1.614 1.00 0.59 C ATOM 0 H VAL A 125 10.457 -11.209 -3.217 1.00 0.59 H new ATOM 0 HA VAL A 125 9.824 -14.019 -3.786 1.00 0.63 H new ATOM 0 HB VAL A 125 8.017 -11.648 -3.213 1.00 0.60 H new ATOM 0 HG11 VAL A 125 6.247 -13.339 -2.969 1.00 0.66 H new ATOM 0 HG12 VAL A 125 6.920 -13.321 -4.617 1.00 0.66 H new ATOM 0 HG13 VAL A 125 7.390 -14.605 -3.478 1.00 0.66 H new ATOM 0 HG21 VAL A 125 7.671 -12.761 -1.033 1.00 0.59 H new ATOM 0 HG22 VAL A 125 8.871 -13.996 -1.480 1.00 0.59 H new ATOM 0 HG23 VAL A 125 9.373 -12.302 -1.273 1.00 0.59 H new ATOM 1749 N LYS A 126 9.328 -11.446 -5.807 1.00 0.68 N ATOM 1750 CA LYS A 126 9.187 -11.104 -7.217 1.00 0.76 C ATOM 1751 C LYS A 126 10.347 -10.232 -7.702 1.00 0.75 C ATOM 1752 O LYS A 126 10.221 -9.017 -7.834 1.00 0.73 O ATOM 1753 CB LYS A 126 7.829 -10.447 -7.514 1.00 0.80 C ATOM 1754 CG LYS A 126 7.264 -9.578 -6.393 1.00 0.73 C ATOM 1755 CD LYS A 126 7.470 -8.096 -6.663 1.00 0.71 C ATOM 1756 CE LYS A 126 6.198 -7.289 -6.407 1.00 0.73 C ATOM 1757 NZ LYS A 126 6.398 -5.823 -6.606 1.00 1.12 N ATOM 0 H LYS A 126 9.450 -10.647 -5.185 1.00 0.68 H new ATOM 0 HA LYS A 126 9.222 -12.038 -7.777 1.00 0.76 H new ATOM 0 HB2 LYS A 126 7.929 -9.835 -8.410 1.00 0.80 H new ATOM 0 HB3 LYS A 126 7.107 -11.231 -7.742 1.00 0.80 H new ATOM 0 HG2 LYS A 126 6.199 -9.781 -6.278 1.00 0.73 H new ATOM 0 HG3 LYS A 126 7.743 -9.845 -5.451 1.00 0.73 H new ATOM 0 HD2 LYS A 126 8.273 -7.719 -6.029 1.00 0.71 H new ATOM 0 HD3 LYS A 126 7.787 -7.956 -7.696 1.00 0.71 H new ATOM 0 HE2 LYS A 126 5.410 -7.638 -7.074 1.00 0.73 H new ATOM 0 HE3 LYS A 126 5.856 -7.470 -5.388 1.00 0.73 H new ATOM 0 HZ1 LYS A 126 5.474 -5.359 -6.723 1.00 1.12 H new ATOM 0 HZ2 LYS A 126 6.884 -5.423 -5.778 1.00 1.12 H new ATOM 0 HZ3 LYS A 126 6.975 -5.664 -7.456 1.00 1.12 H new ATOM 1771 N PRO A 127 11.500 -10.864 -7.975 1.00 0.80 N ATOM 1772 CA PRO A 127 12.702 -10.173 -8.455 1.00 0.83 C ATOM 1773 C PRO A 127 12.609 -9.839 -9.936 1.00 0.92 C ATOM 1774 O PRO A 127 13.397 -9.057 -10.464 1.00 0.96 O ATOM 1775 CB PRO A 127 13.815 -11.188 -8.213 1.00 0.87 C ATOM 1776 CG PRO A 127 13.141 -12.514 -8.292 1.00 0.97 C ATOM 1777 CD PRO A 127 11.727 -12.309 -7.813 1.00 0.86 C ATOM 0 HA PRO A 127 12.859 -9.221 -7.948 1.00 0.83 H new ATOM 0 HB2 PRO A 127 14.602 -11.099 -8.962 1.00 0.87 H new ATOM 0 HB3 PRO A 127 14.282 -11.039 -7.240 1.00 0.87 H new ATOM 0 HG2 PRO A 127 13.152 -12.894 -9.314 1.00 0.97 H new ATOM 0 HG3 PRO A 127 13.657 -13.248 -7.673 1.00 0.97 H new ATOM 0 HD2 PRO A 127 11.018 -12.892 -8.401 1.00 0.86 H new ATOM 0 HD3 PRO A 127 11.609 -12.617 -6.774 1.00 0.86 H new ATOM 1785 N HIS A 128 11.638 -10.447 -10.599 1.00 0.99 N ATOM 1786 CA HIS A 128 11.388 -10.181 -12.008 1.00 1.12 C ATOM 1787 C HIS A 128 10.582 -8.905 -12.172 1.00 1.04 C ATOM 1788 O HIS A 128 10.294 -8.480 -13.287 1.00 1.11 O ATOM 1789 CB HIS A 128 10.645 -11.349 -12.670 1.00 1.33 C ATOM 1790 CG HIS A 128 9.378 -11.763 -11.976 1.00 2.00 C ATOM 1791 ND1 HIS A 128 8.145 -11.231 -12.272 1.00 2.75 N ATOM 1792 CD2 HIS A 128 9.163 -12.680 -11.005 1.00 2.49 C ATOM 1793 CE1 HIS A 128 7.228 -11.800 -11.513 1.00 3.56 C ATOM 1794 NE2 HIS A 128 7.819 -12.686 -10.734 1.00 3.37 N ATOM 0 H HIS A 128 11.007 -11.131 -10.182 1.00 0.99 H new ATOM 0 HA HIS A 128 12.354 -10.063 -12.499 1.00 1.12 H new ATOM 0 HB2 HIS A 128 10.407 -11.074 -13.698 1.00 1.33 H new ATOM 0 HB3 HIS A 128 11.315 -12.208 -12.717 1.00 1.33 H new ATOM 0 HD2 HIS A 128 9.913 -13.295 -10.530 1.00 2.49 H new ATOM 0 HE1 HIS A 128 6.171 -11.578 -11.527 1.00 3.56 H new ATOM 0 HE2 HIS A 128 7.354 -13.277 -10.045 1.00 3.37 H new ATOM 1803 N ASP A 129 10.211 -8.303 -11.055 1.00 0.92 N ATOM 1804 CA ASP A 129 9.390 -7.105 -11.085 1.00 0.89 C ATOM 1805 C ASP A 129 10.238 -5.851 -10.924 1.00 0.83 C ATOM 1806 O ASP A 129 10.829 -5.611 -9.870 1.00 0.80 O ATOM 1807 CB ASP A 129 8.320 -7.169 -10.008 1.00 0.89 C ATOM 1808 CG ASP A 129 7.467 -5.914 -9.958 1.00 0.89 C ATOM 1809 OD1 ASP A 129 6.729 -5.644 -10.934 1.00 1.09 O ATOM 1810 OD2 ASP A 129 7.527 -5.193 -8.946 1.00 1.11 O ATOM 0 H ASP A 129 10.464 -8.622 -10.120 1.00 0.92 H new ATOM 0 HA ASP A 129 8.903 -7.055 -12.059 1.00 0.89 H new ATOM 0 HB2 ASP A 129 7.679 -8.032 -10.188 1.00 0.89 H new ATOM 0 HB3 ASP A 129 8.794 -7.321 -9.038 1.00 0.89 H new ATOM 1815 N LYS A 130 10.309 -5.089 -12.005 1.00 0.85 N ATOM 1816 CA LYS A 130 11.041 -3.823 -12.063 1.00 0.89 C ATOM 1817 C LYS A 130 10.817 -2.929 -10.850 1.00 0.84 C ATOM 1818 O LYS A 130 11.749 -2.290 -10.385 1.00 0.84 O ATOM 1819 CB LYS A 130 10.670 -3.025 -13.325 1.00 1.04 C ATOM 1820 CG LYS A 130 9.235 -2.476 -13.363 1.00 1.18 C ATOM 1821 CD LYS A 130 8.175 -3.573 -13.322 1.00 1.44 C ATOM 1822 CE LYS A 130 6.771 -2.999 -13.257 1.00 2.28 C ATOM 1823 NZ LYS A 130 5.756 -4.052 -12.989 1.00 3.05 N ATOM 0 H LYS A 130 9.853 -5.333 -12.884 1.00 0.85 H new ATOM 0 HA LYS A 130 12.093 -4.108 -12.081 1.00 0.89 H new ATOM 0 HB2 LYS A 130 11.363 -2.189 -13.422 1.00 1.04 H new ATOM 0 HB3 LYS A 130 10.819 -3.665 -14.195 1.00 1.04 H new ATOM 0 HG2 LYS A 130 9.087 -1.804 -12.518 1.00 1.18 H new ATOM 0 HG3 LYS A 130 9.102 -1.884 -14.269 1.00 1.18 H new ATOM 0 HD2 LYS A 130 8.269 -4.203 -14.207 1.00 1.44 H new ATOM 0 HD3 LYS A 130 8.347 -4.212 -12.456 1.00 1.44 H new ATOM 0 HE2 LYS A 130 6.724 -2.241 -12.475 1.00 2.28 H new ATOM 0 HE3 LYS A 130 6.538 -2.501 -14.198 1.00 2.28 H new ATOM 0 HZ1 LYS A 130 4.914 -3.621 -12.558 1.00 3.05 H new ATOM 0 HZ2 LYS A 130 5.490 -4.513 -13.882 1.00 3.05 H new ATOM 0 HZ3 LYS A 130 6.154 -4.760 -12.339 1.00 3.05 H new ATOM 1837 N ASP A 131 9.591 -2.873 -10.347 1.00 0.86 N ATOM 1838 CA ASP A 131 9.257 -1.913 -9.304 1.00 0.90 C ATOM 1839 C ASP A 131 9.712 -2.427 -7.944 1.00 0.77 C ATOM 1840 O ASP A 131 10.179 -1.656 -7.102 1.00 0.80 O ATOM 1841 CB ASP A 131 7.758 -1.609 -9.314 1.00 1.05 C ATOM 1842 CG ASP A 131 7.425 -0.317 -8.591 1.00 1.45 C ATOM 1843 OD1 ASP A 131 8.005 0.739 -8.937 1.00 1.60 O ATOM 1844 OD2 ASP A 131 6.573 -0.341 -7.694 1.00 1.82 O ATOM 0 H ASP A 131 8.820 -3.473 -10.640 1.00 0.86 H new ATOM 0 HA ASP A 131 9.785 -0.981 -9.503 1.00 0.90 H new ATOM 0 HB2 ASP A 131 7.410 -1.545 -10.345 1.00 1.05 H new ATOM 0 HB3 ASP A 131 7.220 -2.433 -8.846 1.00 1.05 H new ATOM 1849 N ALA A 132 9.591 -3.739 -7.743 1.00 0.69 N ATOM 1850 CA ALA A 132 10.170 -4.393 -6.582 1.00 0.62 C ATOM 1851 C ALA A 132 11.667 -4.150 -6.552 1.00 0.59 C ATOM 1852 O ALA A 132 12.220 -3.736 -5.533 1.00 0.56 O ATOM 1853 CB ALA A 132 9.889 -5.885 -6.618 1.00 0.65 C ATOM 0 H ALA A 132 9.094 -4.367 -8.375 1.00 0.69 H new ATOM 0 HA ALA A 132 9.718 -3.976 -5.682 1.00 0.62 H new ATOM 0 HB1 ALA A 132 10.330 -6.359 -5.741 1.00 0.65 H new ATOM 0 HB2 ALA A 132 8.812 -6.052 -6.618 1.00 0.65 H new ATOM 0 HB3 ALA A 132 10.323 -6.315 -7.520 1.00 0.65 H new ATOM 1859 N LYS A 133 12.312 -4.417 -7.686 1.00 0.63 N ATOM 1860 CA LYS A 133 13.731 -4.128 -7.848 1.00 0.66 C ATOM 1861 C LYS A 133 14.000 -2.663 -7.552 1.00 0.65 C ATOM 1862 O LYS A 133 14.643 -2.336 -6.565 1.00 0.63 O ATOM 1863 CB LYS A 133 14.206 -4.435 -9.274 1.00 0.74 C ATOM 1864 CG LYS A 133 13.997 -5.874 -9.704 1.00 0.75 C ATOM 1865 CD LYS A 133 14.478 -6.132 -11.131 1.00 0.95 C ATOM 1866 CE LYS A 133 15.993 -6.005 -11.274 1.00 1.21 C ATOM 1867 NZ LYS A 133 16.446 -4.593 -11.428 1.00 1.93 N ATOM 0 H LYS A 133 11.871 -4.834 -8.506 1.00 0.63 H new ATOM 0 HA LYS A 133 14.277 -4.762 -7.149 1.00 0.66 H new ATOM 0 HB2 LYS A 133 13.680 -3.780 -9.969 1.00 0.74 H new ATOM 0 HB3 LYS A 133 15.267 -4.195 -9.351 1.00 0.74 H new ATOM 0 HG2 LYS A 133 14.528 -6.535 -9.019 1.00 0.75 H new ATOM 0 HG3 LYS A 133 12.938 -6.122 -9.630 1.00 0.75 H new ATOM 0 HD2 LYS A 133 14.171 -7.132 -11.439 1.00 0.95 H new ATOM 0 HD3 LYS A 133 13.993 -5.427 -11.807 1.00 0.95 H new ATOM 0 HE2 LYS A 133 16.473 -6.442 -10.398 1.00 1.21 H new ATOM 0 HE3 LYS A 133 16.321 -6.583 -12.138 1.00 1.21 H new ATOM 0 HZ1 LYS A 133 16.986 -4.496 -12.311 1.00 1.93 H new ATOM 0 HZ2 LYS A 133 15.618 -3.964 -11.458 1.00 1.93 H new ATOM 0 HZ3 LYS A 133 17.050 -4.332 -10.622 1.00 1.93 H new ATOM 1881 N MET A 134 13.448 -1.806 -8.403 1.00 0.68 N ATOM 1882 CA MET A 134 13.709 -0.368 -8.396 1.00 0.72 C ATOM 1883 C MET A 134 13.836 0.202 -6.992 1.00 0.65 C ATOM 1884 O MET A 134 14.871 0.766 -6.633 1.00 0.68 O ATOM 1885 CB MET A 134 12.583 0.360 -9.132 1.00 0.78 C ATOM 1886 CG MET A 134 12.751 1.872 -9.150 1.00 0.84 C ATOM 1887 SD MET A 134 11.448 2.707 -10.079 1.00 0.97 S ATOM 1888 CE MET A 134 11.687 2.002 -11.709 1.00 1.61 C ATOM 0 H MET A 134 12.794 -2.094 -9.131 1.00 0.68 H new ATOM 0 HA MET A 134 14.664 -0.215 -8.899 1.00 0.72 H new ATOM 0 HB2 MET A 134 12.534 -0.005 -10.158 1.00 0.78 H new ATOM 0 HB3 MET A 134 11.632 0.113 -8.660 1.00 0.78 H new ATOM 0 HG2 MET A 134 12.757 2.245 -8.126 1.00 0.84 H new ATOM 0 HG3 MET A 134 13.719 2.121 -9.586 1.00 0.84 H new ATOM 0 HE1 MET A 134 11.538 2.774 -12.464 1.00 1.61 H new ATOM 0 HE2 MET A 134 12.699 1.606 -11.789 1.00 1.61 H new ATOM 0 HE3 MET A 134 10.969 1.197 -11.866 1.00 1.61 H new ATOM 1898 N LYS A 135 12.791 0.032 -6.205 1.00 0.59 N ATOM 1899 CA LYS A 135 12.722 0.632 -4.883 1.00 0.54 C ATOM 1900 C LYS A 135 13.620 -0.105 -3.892 1.00 0.48 C ATOM 1901 O LYS A 135 14.156 0.501 -2.964 1.00 0.46 O ATOM 1902 CB LYS A 135 11.269 0.662 -4.412 1.00 0.54 C ATOM 1903 CG LYS A 135 10.479 1.875 -4.902 1.00 0.65 C ATOM 1904 CD LYS A 135 10.609 2.071 -6.409 1.00 0.76 C ATOM 1905 CE LYS A 135 9.706 3.180 -6.927 1.00 1.05 C ATOM 1906 NZ LYS A 135 8.307 2.717 -7.126 1.00 1.94 N ATOM 0 H LYS A 135 11.972 -0.520 -6.459 1.00 0.59 H new ATOM 0 HA LYS A 135 13.091 1.656 -4.939 1.00 0.54 H new ATOM 0 HB2 LYS A 135 10.769 -0.245 -4.752 1.00 0.54 H new ATOM 0 HB3 LYS A 135 11.251 0.646 -3.322 1.00 0.54 H new ATOM 0 HG2 LYS A 135 9.428 1.752 -4.642 1.00 0.65 H new ATOM 0 HG3 LYS A 135 10.832 2.769 -4.388 1.00 0.65 H new ATOM 0 HD2 LYS A 135 11.645 2.305 -6.655 1.00 0.76 H new ATOM 0 HD3 LYS A 135 10.363 1.138 -6.917 1.00 0.76 H new ATOM 0 HE2 LYS A 135 9.715 4.012 -6.223 1.00 1.05 H new ATOM 0 HE3 LYS A 135 10.100 3.556 -7.871 1.00 1.05 H new ATOM 0 HZ1 LYS A 135 7.678 3.541 -7.214 1.00 1.94 H new ATOM 0 HZ2 LYS A 135 8.251 2.145 -7.992 1.00 1.94 H new ATOM 0 HZ3 LYS A 135 8.013 2.142 -6.311 1.00 1.94 H new ATOM 1920 N TYR A 136 13.805 -1.404 -4.105 1.00 0.48 N ATOM 1921 CA TYR A 136 14.735 -2.186 -3.298 1.00 0.46 C ATOM 1922 C TYR A 136 16.155 -1.668 -3.467 1.00 0.47 C ATOM 1923 O TYR A 136 16.826 -1.347 -2.496 1.00 0.48 O ATOM 1924 CB TYR A 136 14.692 -3.670 -3.686 1.00 0.48 C ATOM 1925 CG TYR A 136 15.847 -4.472 -3.121 1.00 0.48 C ATOM 1926 CD1 TYR A 136 15.930 -4.754 -1.766 1.00 0.48 C ATOM 1927 CD2 TYR A 136 16.863 -4.938 -3.951 1.00 0.54 C ATOM 1928 CE1 TYR A 136 16.989 -5.476 -1.252 1.00 0.51 C ATOM 1929 CE2 TYR A 136 17.924 -5.663 -3.442 1.00 0.57 C ATOM 1930 CZ TYR A 136 17.982 -5.929 -2.092 1.00 0.54 C ATOM 1931 OH TYR A 136 19.038 -6.651 -1.579 1.00 0.59 O ATOM 0 H TYR A 136 13.324 -1.937 -4.829 1.00 0.48 H new ATOM 0 HA TYR A 136 14.431 -2.083 -2.256 1.00 0.46 H new ATOM 0 HB2 TYR A 136 13.754 -4.102 -3.338 1.00 0.48 H new ATOM 0 HB3 TYR A 136 14.698 -3.754 -4.773 1.00 0.48 H new ATOM 0 HD1 TYR A 136 15.154 -4.403 -1.102 1.00 0.48 H new ATOM 0 HD2 TYR A 136 16.821 -4.730 -5.010 1.00 0.54 H new ATOM 0 HE1 TYR A 136 17.038 -5.685 -0.194 1.00 0.51 H new ATOM 0 HE2 TYR A 136 18.703 -6.019 -4.099 1.00 0.57 H new ATOM 0 HH TYR A 136 19.650 -6.896 -2.304 1.00 0.59 H new ATOM 1941 N GLN A 137 16.589 -1.567 -4.716 1.00 0.49 N ATOM 1942 CA GLN A 137 17.966 -1.218 -5.036 1.00 0.51 C ATOM 1943 C GLN A 137 18.228 0.223 -4.662 1.00 0.53 C ATOM 1944 O GLN A 137 19.304 0.577 -4.184 1.00 0.57 O ATOM 1945 CB GLN A 137 18.220 -1.419 -6.529 1.00 0.55 C ATOM 1946 CG GLN A 137 17.338 -2.494 -7.142 1.00 0.61 C ATOM 1947 CD GLN A 137 17.801 -2.988 -8.487 1.00 1.17 C ATOM 1948 OE1 GLN A 137 17.526 -2.377 -9.519 1.00 2.09 O ATOM 1949 NE2 GLN A 137 18.408 -4.152 -8.491 1.00 1.24 N ATOM 0 H GLN A 137 15.999 -1.724 -5.533 1.00 0.49 H new ATOM 0 HA GLN A 137 18.638 -1.863 -4.470 1.00 0.51 H new ATOM 0 HB2 GLN A 137 18.051 -0.477 -7.051 1.00 0.55 H new ATOM 0 HB3 GLN A 137 19.266 -1.685 -6.681 1.00 0.55 H new ATOM 0 HG2 GLN A 137 17.287 -3.340 -6.456 1.00 0.61 H new ATOM 0 HG3 GLN A 137 16.325 -2.103 -7.241 1.00 0.61 H new ATOM 0 HE21 GLN A 137 18.616 -4.622 -7.610 1.00 1.24 H new ATOM 0 HE22 GLN A 137 18.672 -4.587 -9.375 1.00 1.24 H new ATOM 1958 N GLU A 138 17.219 1.039 -4.885 1.00 0.53 N ATOM 1959 CA GLU A 138 17.259 2.441 -4.534 1.00 0.57 C ATOM 1960 C GLU A 138 17.448 2.609 -3.027 1.00 0.54 C ATOM 1961 O GLU A 138 18.323 3.348 -2.586 1.00 0.60 O ATOM 1962 CB GLU A 138 15.959 3.089 -4.981 1.00 0.60 C ATOM 1963 CG GLU A 138 15.788 4.527 -4.523 1.00 0.69 C ATOM 1964 CD GLU A 138 16.138 5.532 -5.597 1.00 1.33 C ATOM 1965 OE1 GLU A 138 17.280 5.498 -6.097 1.00 1.46 O ATOM 1966 OE2 GLU A 138 15.271 6.350 -5.953 1.00 2.04 O ATOM 0 H GLU A 138 16.343 0.745 -5.318 1.00 0.53 H new ATOM 0 HA GLU A 138 18.101 2.922 -5.032 1.00 0.57 H new ATOM 0 HB2 GLU A 138 15.906 3.058 -6.069 1.00 0.60 H new ATOM 0 HB3 GLU A 138 15.124 2.498 -4.605 1.00 0.60 H new ATOM 0 HG2 GLU A 138 14.756 4.683 -4.209 1.00 0.69 H new ATOM 0 HG3 GLU A 138 16.417 4.702 -3.650 1.00 0.69 H new ATOM 1973 N CYS A 139 16.637 1.908 -2.243 1.00 0.47 N ATOM 1974 CA CYS A 139 16.743 1.977 -0.792 1.00 0.44 C ATOM 1975 C CYS A 139 18.046 1.330 -0.345 1.00 0.43 C ATOM 1976 O CYS A 139 18.730 1.836 0.543 1.00 0.42 O ATOM 1977 CB CYS A 139 15.558 1.275 -0.120 1.00 0.42 C ATOM 1978 SG CYS A 139 15.159 1.915 1.523 1.00 1.06 S ATOM 0 H CYS A 139 15.903 1.289 -2.586 1.00 0.47 H new ATOM 0 HA CYS A 139 16.732 3.026 -0.495 1.00 0.44 H new ATOM 0 HB2 CYS A 139 14.681 1.373 -0.760 1.00 0.42 H new ATOM 0 HB3 CYS A 139 15.777 0.210 -0.040 1.00 0.42 H new ATOM 0 HG CYS A 139 15.733 1.178 2.427 1.00 1.06 H new ATOM 1984 N ASN A 140 18.386 0.217 -0.989 1.00 0.45 N ATOM 1985 CA ASN A 140 19.609 -0.515 -0.689 1.00 0.48 C ATOM 1986 C ASN A 140 20.812 0.396 -0.803 1.00 0.52 C ATOM 1987 O ASN A 140 21.589 0.527 0.141 1.00 0.54 O ATOM 1988 CB ASN A 140 19.775 -1.719 -1.630 1.00 0.52 C ATOM 1989 CG ASN A 140 21.053 -2.497 -1.362 1.00 0.60 C ATOM 1990 OD1 ASN A 140 22.107 -2.192 -1.915 1.00 1.22 O ATOM 1991 ND2 ASN A 140 20.967 -3.507 -0.513 1.00 1.13 N ATOM 0 H ASN A 140 17.823 -0.200 -1.730 1.00 0.45 H new ATOM 0 HA ASN A 140 19.537 -0.883 0.334 1.00 0.48 H new ATOM 0 HB2 ASN A 140 18.919 -2.384 -1.518 1.00 0.52 H new ATOM 0 HB3 ASN A 140 19.775 -1.371 -2.663 1.00 0.52 H new ATOM 0 HD21 ASN A 140 21.794 -4.064 -0.297 1.00 1.13 H new ATOM 0 HD22 ASN A 140 20.074 -3.729 -0.074 1.00 1.13 H new ATOM 1998 N LYS A 141 20.948 1.049 -1.947 1.00 0.56 N ATOM 1999 CA LYS A 141 22.077 1.926 -2.175 1.00 0.63 C ATOM 2000 C LYS A 141 22.063 3.101 -1.211 1.00 0.60 C ATOM 2001 O LYS A 141 23.110 3.508 -0.730 1.00 0.65 O ATOM 2002 CB LYS A 141 22.123 2.422 -3.620 1.00 0.70 C ATOM 2003 CG LYS A 141 20.940 3.269 -4.048 1.00 0.69 C ATOM 2004 CD LYS A 141 21.266 3.996 -5.334 1.00 0.81 C ATOM 2005 CE LYS A 141 20.134 4.893 -5.795 1.00 0.85 C ATOM 2006 NZ LYS A 141 19.901 6.030 -4.868 1.00 1.15 N ATOM 0 H LYS A 141 20.292 0.986 -2.726 1.00 0.56 H new ATOM 0 HA LYS A 141 22.979 1.342 -1.992 1.00 0.63 H new ATOM 0 HB2 LYS A 141 23.035 3.003 -3.760 1.00 0.70 H new ATOM 0 HB3 LYS A 141 22.190 1.559 -4.282 1.00 0.70 H new ATOM 0 HG2 LYS A 141 20.062 2.638 -4.189 1.00 0.69 H new ATOM 0 HG3 LYS A 141 20.694 3.987 -3.266 1.00 0.69 H new ATOM 0 HD2 LYS A 141 22.165 4.595 -5.191 1.00 0.81 H new ATOM 0 HD3 LYS A 141 21.489 3.267 -6.113 1.00 0.81 H new ATOM 0 HE2 LYS A 141 20.361 5.278 -6.789 1.00 0.85 H new ATOM 0 HE3 LYS A 141 19.220 4.305 -5.882 1.00 0.85 H new ATOM 0 HZ1 LYS A 141 18.925 5.993 -4.512 1.00 1.15 H new ATOM 0 HZ2 LYS A 141 20.564 5.968 -4.069 1.00 1.15 H new ATOM 0 HZ3 LYS A 141 20.051 6.926 -5.373 1.00 1.15 H new ATOM 2020 N ILE A 142 20.874 3.620 -0.907 1.00 0.54 N ATOM 2021 CA ILE A 142 20.750 4.764 -0.009 1.00 0.52 C ATOM 2022 C ILE A 142 21.194 4.411 1.406 1.00 0.49 C ATOM 2023 O ILE A 142 21.817 5.222 2.094 1.00 0.51 O ATOM 2024 CB ILE A 142 19.320 5.340 -0.008 1.00 0.50 C ATOM 2025 CG1 ILE A 142 19.043 5.979 -1.370 1.00 0.58 C ATOM 2026 CG2 ILE A 142 19.148 6.359 1.110 1.00 0.49 C ATOM 2027 CD1 ILE A 142 17.715 6.702 -1.458 1.00 0.60 C ATOM 0 H ILE A 142 19.988 3.267 -1.268 1.00 0.54 H new ATOM 0 HA ILE A 142 21.416 5.539 -0.388 1.00 0.52 H new ATOM 0 HB ILE A 142 18.606 4.536 0.169 1.00 0.50 H new ATOM 0 HG12 ILE A 142 19.843 6.683 -1.598 1.00 0.58 H new ATOM 0 HG13 ILE A 142 19.073 5.204 -2.135 1.00 0.58 H new ATOM 0 HG21 ILE A 142 18.131 6.752 1.091 1.00 0.49 H new ATOM 0 HG22 ILE A 142 19.334 5.880 2.071 1.00 0.49 H new ATOM 0 HG23 ILE A 142 19.855 7.176 0.969 1.00 0.49 H new ATOM 0 HD11 ILE A 142 17.597 7.126 -2.455 1.00 0.60 H new ATOM 0 HD12 ILE A 142 16.905 5.999 -1.264 1.00 0.60 H new ATOM 0 HD13 ILE A 142 17.686 7.502 -0.718 1.00 0.60 H new ATOM 2039 N VAL A 143 20.903 3.194 1.830 1.00 0.46 N ATOM 2040 CA VAL A 143 21.402 2.709 3.104 1.00 0.47 C ATOM 2041 C VAL A 143 22.931 2.711 3.103 1.00 0.56 C ATOM 2042 O VAL A 143 23.568 3.083 4.090 1.00 0.59 O ATOM 2043 CB VAL A 143 20.890 1.288 3.417 1.00 0.47 C ATOM 2044 CG1 VAL A 143 21.544 0.756 4.677 1.00 0.55 C ATOM 2045 CG2 VAL A 143 19.377 1.283 3.563 1.00 0.41 C ATOM 0 H VAL A 143 20.328 2.528 1.315 1.00 0.46 H new ATOM 0 HA VAL A 143 21.030 3.380 3.878 1.00 0.47 H new ATOM 0 HB VAL A 143 21.157 0.636 2.585 1.00 0.47 H new ATOM 0 HG11 VAL A 143 21.172 -0.247 4.884 1.00 0.55 H new ATOM 0 HG12 VAL A 143 22.625 0.721 4.539 1.00 0.55 H new ATOM 0 HG13 VAL A 143 21.306 1.411 5.515 1.00 0.55 H new ATOM 0 HG21 VAL A 143 19.036 0.271 3.784 1.00 0.41 H new ATOM 0 HG22 VAL A 143 19.088 1.949 4.376 1.00 0.41 H new ATOM 0 HG23 VAL A 143 18.921 1.625 2.634 1.00 0.41 H new ATOM 2055 N LYS A 144 23.511 2.328 1.971 1.00 0.63 N ATOM 2056 CA LYS A 144 24.962 2.266 1.839 1.00 0.74 C ATOM 2057 C LYS A 144 25.534 3.655 1.589 1.00 0.76 C ATOM 2058 O LYS A 144 26.738 3.872 1.720 1.00 0.85 O ATOM 2059 CB LYS A 144 25.370 1.309 0.714 1.00 0.84 C ATOM 2060 CG LYS A 144 24.464 0.099 0.616 1.00 0.83 C ATOM 2061 CD LYS A 144 25.161 -1.123 0.031 1.00 1.10 C ATOM 2062 CE LYS A 144 25.537 -0.954 -1.433 1.00 1.57 C ATOM 2063 NZ LYS A 144 24.351 -0.769 -2.310 1.00 2.23 N ATOM 0 H LYS A 144 22.999 2.056 1.132 1.00 0.63 H new ATOM 0 HA LYS A 144 25.371 1.884 2.774 1.00 0.74 H new ATOM 0 HB2 LYS A 144 25.357 1.845 -0.235 1.00 0.84 H new ATOM 0 HB3 LYS A 144 26.395 0.977 0.879 1.00 0.84 H new ATOM 0 HG2 LYS A 144 24.086 -0.146 1.609 1.00 0.83 H new ATOM 0 HG3 LYS A 144 23.601 0.348 -0.001 1.00 0.83 H new ATOM 0 HD2 LYS A 144 26.061 -1.331 0.609 1.00 1.10 H new ATOM 0 HD3 LYS A 144 24.508 -1.990 0.134 1.00 1.10 H new ATOM 0 HE2 LYS A 144 26.199 -0.094 -1.537 1.00 1.57 H new ATOM 0 HE3 LYS A 144 26.096 -1.829 -1.764 1.00 1.57 H new ATOM 0 HZ1 LYS A 144 24.488 -1.298 -3.195 1.00 2.23 H new ATOM 0 HZ2 LYS A 144 23.502 -1.121 -1.824 1.00 2.23 H new ATOM 0 HZ3 LYS A 144 24.233 0.242 -2.526 1.00 2.23 H new ATOM 2077 N GLN A 145 24.675 4.596 1.202 1.00 0.70 N ATOM 2078 CA GLN A 145 25.080 5.990 1.156 1.00 0.74 C ATOM 2079 C GLN A 145 25.427 6.443 2.558 1.00 0.75 C ATOM 2080 O GLN A 145 26.411 7.145 2.792 1.00 0.84 O ATOM 2081 CB GLN A 145 23.972 6.887 0.614 1.00 0.71 C ATOM 2082 CG GLN A 145 23.404 6.412 -0.696 1.00 0.72 C ATOM 2083 CD GLN A 145 24.378 6.505 -1.853 1.00 0.94 C ATOM 2084 OE1 GLN A 145 25.594 6.386 -1.685 1.00 1.36 O ATOM 2085 NE2 GLN A 145 23.846 6.727 -3.039 1.00 1.27 N ATOM 0 H GLN A 145 23.711 4.419 0.921 1.00 0.70 H new ATOM 0 HA GLN A 145 25.939 6.070 0.489 1.00 0.74 H new ATOM 0 HB2 GLN A 145 23.170 6.945 1.349 1.00 0.71 H new ATOM 0 HB3 GLN A 145 24.362 7.897 0.487 1.00 0.71 H new ATOM 0 HG2 GLN A 145 23.081 5.377 -0.587 1.00 0.72 H new ATOM 0 HG3 GLN A 145 22.517 7.000 -0.932 1.00 0.72 H new ATOM 0 HE21 GLN A 145 22.835 6.819 -3.135 1.00 1.27 H new ATOM 0 HE22 GLN A 145 24.446 6.806 -3.860 1.00 1.27 H new ATOM 2094 N LYS A 146 24.593 6.006 3.484 1.00 0.67 N ATOM 2095 CA LYS A 146 24.716 6.375 4.876 1.00 0.70 C ATOM 2096 C LYS A 146 25.848 5.619 5.567 1.00 0.84 C ATOM 2097 O LYS A 146 26.775 6.231 6.106 1.00 0.94 O ATOM 2098 CB LYS A 146 23.401 6.108 5.601 1.00 0.58 C ATOM 2099 CG LYS A 146 22.301 7.086 5.239 1.00 0.58 C ATOM 2100 CD LYS A 146 21.017 6.763 5.979 1.00 0.64 C ATOM 2101 CE LYS A 146 19.958 7.827 5.754 1.00 1.40 C ATOM 2102 NZ LYS A 146 20.408 9.169 6.213 1.00 1.73 N ATOM 0 H LYS A 146 23.810 5.383 3.288 1.00 0.67 H new ATOM 0 HA LYS A 146 24.952 7.438 4.916 1.00 0.70 H new ATOM 0 HB2 LYS A 146 23.067 5.096 5.370 1.00 0.58 H new ATOM 0 HB3 LYS A 146 23.573 6.149 6.676 1.00 0.58 H new ATOM 0 HG2 LYS A 146 22.618 8.100 5.481 1.00 0.58 H new ATOM 0 HG3 LYS A 146 22.122 7.055 4.164 1.00 0.58 H new ATOM 0 HD2 LYS A 146 20.638 5.796 5.647 1.00 0.64 H new ATOM 0 HD3 LYS A 146 21.224 6.675 7.046 1.00 0.64 H new ATOM 0 HE2 LYS A 146 19.709 7.872 4.694 1.00 1.40 H new ATOM 0 HE3 LYS A 146 19.047 7.549 6.284 1.00 1.40 H new ATOM 0 HZ1 LYS A 146 19.580 9.781 6.362 1.00 1.73 H new ATOM 0 HZ2 LYS A 146 20.933 9.073 7.106 1.00 1.73 H new ATOM 0 HZ3 LYS A 146 21.026 9.593 5.492 1.00 1.73 H new