USER MOD reduce.3.24.130724 H: found=0, std=0, add=1047, rem=0, adj=37 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 107 MET CE :methyl 163:sc= -2.81! (180deg=-3.2!) USER MOD Set 1.2: A 139 CYS SG : rot 79:sc= 0.375 USER MOD Set 2.1: A 75 THR OG1 : rot 126:sc= 1.89 USER MOD Set 2.2: A 77 CYS SG : rot 175:sc= 1.05 USER MOD Set 3.1: A 51 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 67 ASN : amide:sc= -0.304 K(o=-0.3,f=-1!) USER MOD Set 4.1: A 46 ASN : amide:sc= 0.333 K(o=0.84,f=-0.63) USER MOD Set 4.2: A 49 LYS NZ :NH3+ -116:sc= 0.511 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 150:sc= -0.264 (180deg=-1.4!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 73:sc= 1.19 USER MOD Single : A 34 GLN : amide:sc= -0.234 K(o=-0.23,f=-1.1) USER MOD Single : A 36 ASN : amide:sc= -0.183 K(o=-0.18,f=-0.95!) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ -154:sc= 1.27 (180deg=0.976) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 84:sc= 2.32 USER MOD Single : A 53 GLN :FLIP amide:sc= -0.164 F(o=-1.3,f=-0.16) USER MOD Single : A 58 ASN : amide:sc= -5.61! C(o=-5.6!,f=-6!) USER MOD Single : A 60 SER OG : rot 180:sc= -0.719 USER MOD Single : A 61 ASN : amide:sc= -3.66! C(o=-3.7!,f=-10!) USER MOD Single : A 64 TYR OH : rot 165:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= -0.138 USER MOD Single : A 69 SER OG : rot -79:sc= 0.831 USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 ASN :FLIP amide:sc= -0.0107 F(o=-0.98,f=-0.011) USER MOD Single : A 86 THR OG1 : rot 67:sc= 1.23 USER MOD Single : A 93 LYS NZ :NH3+ -179:sc= 1.18 (180deg=1.1) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 TYR OH : rot 180:sc= -0.0147 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 TYR OH : rot 25:sc= 0.227 USER MOD Single : A 100 TYR OH : rot -106:sc= 0.483 USER MOD Single : A 105 SER OG : rot 170:sc=-0.00595 USER MOD Single : A 106 ASN : amide:sc= -0.313 K(o=-0.31,f=-4.2!) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 TYR OH : rot 30:sc= -0.0121 USER MOD Single : A 121 THR OG1 : rot 75:sc= 0.641 USER MOD Single : A 124 LYS NZ :NH3+ -165:sc= 0.0761 (180deg=0.044) USER MOD Single : A 126 LYS NZ :NH3+ 136:sc= 0.973 (180deg=0.243) USER MOD Single : A 128 HIS : no HD1:sc=-0.00556 X(o=-0.0056,f=0) USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 MET CE :methyl -159:sc= -0.187 (180deg=-0.744) USER MOD Single : A 135 LYS NZ :NH3+ -165:sc= 1.79 (180deg=0.975!) USER MOD Single : A 136 TYR OH : rot 180:sc= 0 USER MOD Single : A 137 GLN :FLIP amide:sc= -0.58 F(o=-1.3,f=-0.58) USER MOD Single : A 140 ASN : amide:sc= 0 X(o=0,f=-0.086) USER MOD Single : A 141 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 144 LYS NZ :NH3+ -173:sc= -1.32 (180deg=-1.73) USER MOD Single : A 145 GLN : amide:sc= -0.491 K(o=-0.49,f=-4.5!) USER MOD Single : A 146 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0718) USER MOD ----------------------------------------------------------------- ATOM 27 N PRO A 19 -17.910 -14.256 5.448 1.00 0.78 N ATOM 28 CA PRO A 19 -17.644 -13.155 4.541 1.00 0.70 C ATOM 29 C PRO A 19 -18.951 -12.486 4.154 1.00 0.65 C ATOM 30 O PRO A 19 -19.903 -13.167 3.754 1.00 0.70 O ATOM 31 CB PRO A 19 -16.995 -13.814 3.314 1.00 0.71 C ATOM 32 CG PRO A 19 -17.076 -15.289 3.550 1.00 0.75 C ATOM 33 CD PRO A 19 -17.201 -15.472 5.035 1.00 0.84 C ATOM 0 HA PRO A 19 -17.006 -12.388 4.981 1.00 0.70 H new ATOM 0 HB2 PRO A 19 -17.518 -13.536 2.399 1.00 0.71 H new ATOM 0 HB3 PRO A 19 -15.960 -13.493 3.200 1.00 0.71 H new ATOM 0 HG2 PRO A 19 -17.933 -15.719 3.032 1.00 0.75 H new ATOM 0 HG3 PRO A 19 -16.188 -15.793 3.170 1.00 0.75 H new ATOM 0 HD2 PRO A 19 -17.761 -16.373 5.287 1.00 0.84 H new ATOM 0 HD3 PRO A 19 -16.227 -15.557 5.517 1.00 0.84 H new ATOM 41 N PRO A 20 -19.030 -11.162 4.311 1.00 0.58 N ATOM 42 CA PRO A 20 -20.249 -10.405 4.030 1.00 0.54 C ATOM 43 C PRO A 20 -20.814 -10.745 2.662 1.00 0.55 C ATOM 44 O PRO A 20 -20.069 -11.076 1.739 1.00 0.58 O ATOM 45 CB PRO A 20 -19.784 -8.952 4.090 1.00 0.49 C ATOM 46 CG PRO A 20 -18.621 -8.982 5.016 1.00 0.50 C ATOM 47 CD PRO A 20 -17.934 -10.293 4.764 1.00 0.56 C ATOM 0 HA PRO A 20 -21.053 -10.625 4.732 1.00 0.54 H new ATOM 0 HB2 PRO A 20 -19.500 -8.583 3.104 1.00 0.49 H new ATOM 0 HB3 PRO A 20 -20.572 -8.296 4.460 1.00 0.49 H new ATOM 0 HG2 PRO A 20 -17.949 -8.145 4.827 1.00 0.50 H new ATOM 0 HG3 PRO A 20 -18.945 -8.903 6.054 1.00 0.50 H new ATOM 0 HD2 PRO A 20 -17.154 -10.201 4.008 1.00 0.56 H new ATOM 0 HD3 PRO A 20 -17.460 -10.679 5.666 1.00 0.56 H new ATOM 55 N ALA A 21 -22.127 -10.686 2.549 1.00 0.56 N ATOM 56 CA ALA A 21 -22.798 -11.044 1.318 1.00 0.63 C ATOM 57 C ALA A 21 -22.250 -10.229 0.156 1.00 0.60 C ATOM 58 O ALA A 21 -21.838 -9.083 0.342 1.00 0.60 O ATOM 59 CB ALA A 21 -24.292 -10.861 1.486 1.00 0.72 C ATOM 0 H ALA A 21 -22.751 -10.392 3.300 1.00 0.56 H new ATOM 0 HA ALA A 21 -22.609 -12.093 1.088 1.00 0.63 H new ATOM 0 HB1 ALA A 21 -24.798 -11.130 0.559 1.00 0.72 H new ATOM 0 HB2 ALA A 21 -24.648 -11.501 2.293 1.00 0.72 H new ATOM 0 HB3 ALA A 21 -24.506 -9.820 1.727 1.00 0.72 H new ATOM 65 N ASP A 22 -22.251 -10.803 -1.044 1.00 0.64 N ATOM 66 CA ASP A 22 -21.547 -10.200 -2.169 1.00 0.70 C ATOM 67 C ASP A 22 -22.354 -9.050 -2.778 1.00 0.67 C ATOM 68 O ASP A 22 -22.187 -8.671 -3.930 1.00 1.01 O ATOM 69 CB ASP A 22 -21.270 -11.292 -3.205 1.00 1.01 C ATOM 70 CG ASP A 22 -20.537 -10.799 -4.438 1.00 1.54 C ATOM 71 OD1 ASP A 22 -19.484 -10.145 -4.297 1.00 1.66 O ATOM 72 OD2 ASP A 22 -21.020 -11.064 -5.559 1.00 2.34 O ATOM 0 H ASP A 22 -22.728 -11.678 -1.260 1.00 0.64 H new ATOM 0 HA ASP A 22 -20.605 -9.773 -1.825 1.00 0.70 H new ATOM 0 HB2 ASP A 22 -20.683 -12.082 -2.737 1.00 1.01 H new ATOM 0 HB3 ASP A 22 -22.217 -11.737 -3.511 1.00 1.01 H new ATOM 77 N GLY A 23 -23.127 -8.418 -1.932 1.00 0.72 N ATOM 78 CA GLY A 23 -23.688 -7.131 -2.240 1.00 0.69 C ATOM 79 C GLY A 23 -22.920 -6.102 -1.470 1.00 0.61 C ATOM 80 O GLY A 23 -22.599 -5.028 -1.963 1.00 0.60 O ATOM 0 H GLY A 23 -23.383 -8.781 -1.014 1.00 0.72 H new ATOM 0 HA2 GLY A 23 -23.625 -6.933 -3.310 1.00 0.69 H new ATOM 0 HA3 GLY A 23 -24.744 -7.100 -1.971 1.00 0.69 H new ATOM 84 N ALA A 24 -22.578 -6.491 -0.256 1.00 0.59 N ATOM 85 CA ALA A 24 -21.692 -5.730 0.592 1.00 0.55 C ATOM 86 C ALA A 24 -20.256 -5.910 0.128 1.00 0.48 C ATOM 87 O ALA A 24 -19.437 -5.020 0.294 1.00 0.44 O ATOM 88 CB ALA A 24 -21.846 -6.197 2.032 1.00 0.56 C ATOM 0 H ALA A 24 -22.914 -7.355 0.170 1.00 0.59 H new ATOM 0 HA ALA A 24 -21.947 -4.672 0.533 1.00 0.55 H new ATOM 0 HB1 ALA A 24 -21.178 -5.623 2.674 1.00 0.56 H new ATOM 0 HB2 ALA A 24 -22.876 -6.047 2.355 1.00 0.56 H new ATOM 0 HB3 ALA A 24 -21.595 -7.255 2.100 1.00 0.56 H new ATOM 94 N LEU A 25 -19.955 -7.066 -0.457 1.00 0.49 N ATOM 95 CA LEU A 25 -18.611 -7.324 -0.958 1.00 0.48 C ATOM 96 C LEU A 25 -18.412 -6.762 -2.355 1.00 0.51 C ATOM 97 O LEU A 25 -17.346 -6.219 -2.647 1.00 0.53 O ATOM 98 CB LEU A 25 -18.262 -8.809 -0.932 1.00 0.47 C ATOM 99 CG LEU A 25 -17.985 -9.377 0.458 1.00 0.48 C ATOM 100 CD1 LEU A 25 -17.086 -10.593 0.361 1.00 0.53 C ATOM 101 CD2 LEU A 25 -17.360 -8.321 1.354 1.00 0.49 C ATOM 0 H LEU A 25 -20.616 -7.830 -0.594 1.00 0.49 H new ATOM 0 HA LEU A 25 -17.930 -6.808 -0.281 1.00 0.48 H new ATOM 0 HB2 LEU A 25 -19.083 -9.369 -1.381 1.00 0.47 H new ATOM 0 HB3 LEU A 25 -17.385 -8.973 -1.558 1.00 0.47 H new ATOM 0 HG LEU A 25 -18.933 -9.682 0.901 1.00 0.48 H new ATOM 0 HD11 LEU A 25 -16.897 -10.987 1.360 1.00 0.53 H new ATOM 0 HD12 LEU A 25 -17.572 -11.358 -0.245 1.00 0.53 H new ATOM 0 HD13 LEU A 25 -16.141 -10.310 -0.102 1.00 0.53 H new ATOM 0 HD21 LEU A 25 -17.171 -8.746 2.340 1.00 0.49 H new ATOM 0 HD22 LEU A 25 -16.420 -7.984 0.918 1.00 0.49 H new ATOM 0 HD23 LEU A 25 -18.041 -7.475 1.448 1.00 0.49 H new ATOM 113 N LYS A 26 -19.414 -6.878 -3.230 1.00 0.55 N ATOM 114 CA LYS A 26 -19.319 -6.211 -4.522 1.00 0.59 C ATOM 115 C LYS A 26 -19.209 -4.707 -4.290 1.00 0.52 C ATOM 116 O LYS A 26 -18.547 -4.011 -5.046 1.00 0.53 O ATOM 117 CB LYS A 26 -20.531 -6.504 -5.406 1.00 0.68 C ATOM 118 CG LYS A 26 -21.735 -5.663 -5.038 1.00 0.73 C ATOM 119 CD LYS A 26 -22.987 -6.058 -5.797 1.00 0.82 C ATOM 120 CE LYS A 26 -23.104 -5.326 -7.133 1.00 0.93 C ATOM 121 NZ LYS A 26 -22.111 -5.788 -8.136 1.00 1.53 N ATOM 0 H LYS A 26 -20.271 -7.409 -3.073 1.00 0.55 H new ATOM 0 HA LYS A 26 -18.437 -6.588 -5.039 1.00 0.59 H new ATOM 0 HB2 LYS A 26 -20.269 -6.321 -6.448 1.00 0.68 H new ATOM 0 HB3 LYS A 26 -20.790 -7.559 -5.323 1.00 0.68 H new ATOM 0 HG2 LYS A 26 -21.921 -5.754 -3.968 1.00 0.73 H new ATOM 0 HG3 LYS A 26 -21.513 -4.614 -5.235 1.00 0.73 H new ATOM 0 HD2 LYS A 26 -22.980 -7.134 -5.973 1.00 0.82 H new ATOM 0 HD3 LYS A 26 -23.864 -5.841 -5.187 1.00 0.82 H new ATOM 0 HE2 LYS A 26 -24.108 -5.468 -7.532 1.00 0.93 H new ATOM 0 HE3 LYS A 26 -22.975 -4.256 -6.968 1.00 0.93 H new ATOM 0 HZ1 LYS A 26 -22.507 -5.681 -9.092 1.00 1.53 H new ATOM 0 HZ2 LYS A 26 -21.245 -5.218 -8.055 1.00 1.53 H new ATOM 0 HZ3 LYS A 26 -21.885 -6.789 -7.965 1.00 1.53 H new ATOM 135 N ARG A 27 -19.857 -4.229 -3.218 1.00 0.49 N ATOM 136 CA ARG A 27 -19.855 -2.813 -2.865 1.00 0.45 C ATOM 137 C ARG A 27 -18.618 -2.452 -2.054 1.00 0.39 C ATOM 138 O ARG A 27 -18.169 -1.316 -2.086 1.00 0.37 O ATOM 139 CB ARG A 27 -21.140 -2.457 -2.113 1.00 0.49 C ATOM 140 CG ARG A 27 -21.182 -1.063 -1.493 1.00 0.45 C ATOM 141 CD ARG A 27 -20.955 0.021 -2.521 1.00 0.51 C ATOM 142 NE ARG A 27 -21.556 1.291 -2.127 1.00 1.11 N ATOM 143 CZ ARG A 27 -22.141 2.132 -2.979 1.00 1.29 C ATOM 144 NH1 ARG A 27 -22.257 1.813 -4.262 1.00 1.01 N ATOM 145 NH2 ARG A 27 -22.644 3.281 -2.547 1.00 2.11 N ATOM 0 H ARG A 27 -20.393 -4.815 -2.578 1.00 0.49 H new ATOM 0 HA ARG A 27 -19.822 -2.226 -3.783 1.00 0.45 H new ATOM 0 HB2 ARG A 27 -21.980 -2.554 -2.801 1.00 0.49 H new ATOM 0 HB3 ARG A 27 -21.291 -3.191 -1.321 1.00 0.49 H new ATOM 0 HG2 ARG A 27 -22.148 -0.909 -1.011 1.00 0.45 H new ATOM 0 HG3 ARG A 27 -20.422 -0.989 -0.715 1.00 0.45 H new ATOM 0 HD2 ARG A 27 -19.884 0.159 -2.670 1.00 0.51 H new ATOM 0 HD3 ARG A 27 -21.372 -0.295 -3.477 1.00 0.51 H new ATOM 0 HE ARG A 27 -21.527 1.550 -1.141 1.00 1.11 H new ATOM 0 HH11 ARG A 27 -21.897 0.920 -4.600 1.00 1.01 H new ATOM 0 HH12 ARG A 27 -22.706 2.460 -4.910 1.00 1.01 H new ATOM 0 HH21 ARG A 27 -22.584 3.524 -1.558 1.00 2.11 H new ATOM 0 HH22 ARG A 27 -23.091 3.921 -3.204 1.00 2.11 H new ATOM 159 N ALA A 28 -18.055 -3.410 -1.338 1.00 0.39 N ATOM 160 CA ALA A 28 -16.744 -3.211 -0.739 1.00 0.37 C ATOM 161 C ALA A 28 -15.746 -3.010 -1.865 1.00 0.37 C ATOM 162 O ALA A 28 -14.826 -2.194 -1.791 1.00 0.36 O ATOM 163 CB ALA A 28 -16.358 -4.396 0.144 1.00 0.42 C ATOM 0 H ALA A 28 -18.477 -4.321 -1.158 1.00 0.39 H new ATOM 0 HA ALA A 28 -16.754 -2.334 -0.092 1.00 0.37 H new ATOM 0 HB1 ALA A 28 -15.374 -4.221 0.579 1.00 0.42 H new ATOM 0 HB2 ALA A 28 -17.092 -4.510 0.942 1.00 0.42 H new ATOM 0 HB3 ALA A 28 -16.332 -5.305 -0.457 1.00 0.42 H new ATOM 169 N GLU A 29 -15.998 -3.736 -2.940 1.00 0.43 N ATOM 170 CA GLU A 29 -15.218 -3.639 -4.149 1.00 0.47 C ATOM 171 C GLU A 29 -15.628 -2.384 -4.923 1.00 0.45 C ATOM 172 O GLU A 29 -14.833 -1.798 -5.659 1.00 0.48 O ATOM 173 CB GLU A 29 -15.450 -4.899 -4.980 1.00 0.55 C ATOM 174 CG GLU A 29 -14.203 -5.400 -5.680 1.00 0.84 C ATOM 175 CD GLU A 29 -14.426 -6.703 -6.414 1.00 1.52 C ATOM 176 OE1 GLU A 29 -14.260 -7.772 -5.797 1.00 2.41 O ATOM 177 OE2 GLU A 29 -14.758 -6.665 -7.618 1.00 1.83 O ATOM 0 H GLU A 29 -16.758 -4.414 -2.993 1.00 0.43 H new ATOM 0 HA GLU A 29 -14.156 -3.559 -3.915 1.00 0.47 H new ATOM 0 HB2 GLU A 29 -15.834 -5.686 -4.332 1.00 0.55 H new ATOM 0 HB3 GLU A 29 -16.219 -4.696 -5.726 1.00 0.55 H new ATOM 0 HG2 GLU A 29 -13.860 -4.644 -6.387 1.00 0.84 H new ATOM 0 HG3 GLU A 29 -13.409 -5.533 -4.946 1.00 0.84 H new ATOM 184 N GLU A 30 -16.879 -1.974 -4.727 1.00 0.43 N ATOM 185 CA GLU A 30 -17.415 -0.768 -5.339 1.00 0.44 C ATOM 186 C GLU A 30 -16.766 0.441 -4.743 1.00 0.41 C ATOM 187 O GLU A 30 -16.256 1.279 -5.453 1.00 0.48 O ATOM 188 CB GLU A 30 -18.922 -0.657 -5.125 1.00 0.47 C ATOM 189 CG GLU A 30 -19.728 -1.480 -6.085 1.00 0.64 C ATOM 190 CD GLU A 30 -21.195 -1.538 -5.732 1.00 1.23 C ATOM 191 OE1 GLU A 30 -21.814 -0.463 -5.613 1.00 1.52 O ATOM 192 OE2 GLU A 30 -21.738 -2.650 -5.590 1.00 1.72 O ATOM 0 H GLU A 30 -17.547 -2.471 -4.138 1.00 0.43 H new ATOM 0 HA GLU A 30 -17.209 -0.826 -6.408 1.00 0.44 H new ATOM 0 HB2 GLU A 30 -19.159 -0.966 -4.107 1.00 0.47 H new ATOM 0 HB3 GLU A 30 -19.218 0.388 -5.218 1.00 0.47 H new ATOM 0 HG2 GLU A 30 -19.618 -1.068 -7.088 1.00 0.64 H new ATOM 0 HG3 GLU A 30 -19.327 -2.493 -6.111 1.00 0.64 H new ATOM 199 N LEU A 31 -16.792 0.511 -3.431 1.00 0.36 N ATOM 200 CA LEU A 31 -16.233 1.628 -2.710 1.00 0.36 C ATOM 201 C LEU A 31 -14.736 1.726 -2.963 1.00 0.37 C ATOM 202 O LEU A 31 -14.182 2.818 -2.972 1.00 0.41 O ATOM 203 CB LEU A 31 -16.537 1.486 -1.221 1.00 0.35 C ATOM 204 CG LEU A 31 -18.030 1.482 -0.868 1.00 0.37 C ATOM 205 CD1 LEU A 31 -18.218 1.225 0.613 1.00 0.37 C ATOM 206 CD2 LEU A 31 -18.684 2.797 -1.242 1.00 0.42 C ATOM 0 H LEU A 31 -17.203 -0.207 -2.834 1.00 0.36 H new ATOM 0 HA LEU A 31 -16.690 2.552 -3.066 1.00 0.36 H new ATOM 0 HB2 LEU A 31 -16.090 0.560 -0.860 1.00 0.35 H new ATOM 0 HB3 LEU A 31 -16.053 2.303 -0.686 1.00 0.35 H new ATOM 0 HG LEU A 31 -18.506 0.684 -1.438 1.00 0.37 H new ATOM 0 HD11 LEU A 31 -19.282 1.225 0.850 1.00 0.37 H new ATOM 0 HD12 LEU A 31 -17.788 0.257 0.872 1.00 0.37 H new ATOM 0 HD13 LEU A 31 -17.719 2.008 1.184 1.00 0.37 H new ATOM 0 HD21 LEU A 31 -19.742 2.765 -0.980 1.00 0.42 H new ATOM 0 HD22 LEU A 31 -18.201 3.611 -0.701 1.00 0.42 H new ATOM 0 HD23 LEU A 31 -18.581 2.963 -2.314 1.00 0.42 H new ATOM 218 N LYS A 32 -14.087 0.583 -3.195 1.00 0.37 N ATOM 219 CA LYS A 32 -12.682 0.584 -3.599 1.00 0.41 C ATOM 220 C LYS A 32 -12.540 1.245 -4.969 1.00 0.43 C ATOM 221 O LYS A 32 -11.591 1.987 -5.221 1.00 0.47 O ATOM 222 CB LYS A 32 -12.111 -0.843 -3.660 1.00 0.44 C ATOM 223 CG LYS A 32 -10.591 -0.868 -3.793 1.00 0.76 C ATOM 224 CD LYS A 32 -10.034 -2.265 -4.037 1.00 0.70 C ATOM 225 CE LYS A 32 -9.743 -2.501 -5.512 1.00 0.67 C ATOM 226 NZ LYS A 32 -8.571 -3.397 -5.708 1.00 1.15 N ATOM 0 H LYS A 32 -14.506 -0.343 -3.111 1.00 0.37 H new ATOM 0 HA LYS A 32 -12.120 1.145 -2.852 1.00 0.41 H new ATOM 0 HB2 LYS A 32 -12.401 -1.384 -2.759 1.00 0.44 H new ATOM 0 HB3 LYS A 32 -12.554 -1.370 -4.505 1.00 0.44 H new ATOM 0 HG2 LYS A 32 -10.294 -0.216 -4.615 1.00 0.76 H new ATOM 0 HG3 LYS A 32 -10.146 -0.460 -2.885 1.00 0.76 H new ATOM 0 HD2 LYS A 32 -9.120 -2.399 -3.459 1.00 0.70 H new ATOM 0 HD3 LYS A 32 -10.747 -3.009 -3.682 1.00 0.70 H new ATOM 0 HE2 LYS A 32 -10.619 -2.939 -5.990 1.00 0.67 H new ATOM 0 HE3 LYS A 32 -9.556 -1.546 -6.003 1.00 0.67 H new ATOM 0 HZ1 LYS A 32 -8.405 -3.534 -6.726 1.00 1.15 H new ATOM 0 HZ2 LYS A 32 -7.729 -2.967 -5.274 1.00 1.15 H new ATOM 0 HZ3 LYS A 32 -8.759 -4.317 -5.261 1.00 1.15 H new ATOM 240 N THR A 33 -13.508 0.982 -5.840 1.00 0.43 N ATOM 241 CA THR A 33 -13.504 1.517 -7.194 1.00 0.47 C ATOM 242 C THR A 33 -13.933 2.986 -7.200 1.00 0.47 C ATOM 243 O THR A 33 -13.351 3.809 -7.901 1.00 0.52 O ATOM 244 CB THR A 33 -14.429 0.690 -8.111 1.00 0.49 C ATOM 245 OG1 THR A 33 -14.067 -0.697 -8.033 1.00 0.50 O ATOM 246 CG2 THR A 33 -14.335 1.158 -9.557 1.00 0.57 C ATOM 0 H THR A 33 -14.314 0.394 -5.627 1.00 0.43 H new ATOM 0 HA THR A 33 -12.486 1.452 -7.577 1.00 0.47 H new ATOM 0 HB THR A 33 -15.456 0.828 -7.773 1.00 0.49 H new ATOM 0 HG1 THR A 33 -14.354 -1.062 -7.170 1.00 0.50 H new ATOM 0 HG21 THR A 33 -14.998 0.556 -10.178 1.00 0.57 H new ATOM 0 HG22 THR A 33 -14.630 2.205 -9.620 1.00 0.57 H new ATOM 0 HG23 THR A 33 -13.309 1.048 -9.909 1.00 0.57 H new ATOM 254 N GLN A 34 -14.957 3.311 -6.422 1.00 0.44 N ATOM 255 CA GLN A 34 -15.363 4.703 -6.240 1.00 0.46 C ATOM 256 C GLN A 34 -14.223 5.510 -5.633 1.00 0.46 C ATOM 257 O GLN A 34 -13.963 6.633 -6.045 1.00 0.51 O ATOM 258 CB GLN A 34 -16.596 4.805 -5.349 1.00 0.48 C ATOM 259 CG GLN A 34 -17.728 3.908 -5.793 1.00 0.50 C ATOM 260 CD GLN A 34 -19.028 4.194 -5.070 1.00 0.75 C ATOM 261 OE1 GLN A 34 -19.033 4.681 -3.940 1.00 1.50 O ATOM 262 NE2 GLN A 34 -20.140 3.870 -5.705 1.00 1.31 N ATOM 0 H GLN A 34 -15.521 2.635 -5.908 1.00 0.44 H new ATOM 0 HA GLN A 34 -15.612 5.109 -7.220 1.00 0.46 H new ATOM 0 HB2 GLN A 34 -16.319 4.550 -4.326 1.00 0.48 H new ATOM 0 HB3 GLN A 34 -16.943 5.838 -5.337 1.00 0.48 H new ATOM 0 HG2 GLN A 34 -17.881 4.029 -6.865 1.00 0.50 H new ATOM 0 HG3 GLN A 34 -17.447 2.868 -5.626 1.00 0.50 H new ATOM 0 HE21 GLN A 34 -20.094 3.468 -6.641 1.00 1.31 H new ATOM 0 HE22 GLN A 34 -21.045 4.022 -5.259 1.00 1.31 H new ATOM 271 N ALA A 35 -13.540 4.928 -4.655 1.00 0.43 N ATOM 272 CA ALA A 35 -12.380 5.571 -4.052 1.00 0.44 C ATOM 273 C ALA A 35 -11.256 5.700 -5.068 1.00 0.48 C ATOM 274 O ALA A 35 -10.464 6.629 -5.006 1.00 0.50 O ATOM 275 CB ALA A 35 -11.913 4.794 -2.843 1.00 0.42 C ATOM 0 H ALA A 35 -13.769 4.014 -4.264 1.00 0.43 H new ATOM 0 HA ALA A 35 -12.669 6.571 -3.728 1.00 0.44 H new ATOM 0 HB1 ALA A 35 -11.046 5.289 -2.405 1.00 0.42 H new ATOM 0 HB2 ALA A 35 -12.716 4.750 -2.107 1.00 0.42 H new ATOM 0 HB3 ALA A 35 -11.640 3.782 -3.144 1.00 0.42 H new ATOM 281 N ASN A 36 -11.200 4.756 -5.998 1.00 0.53 N ATOM 282 CA ASN A 36 -10.283 4.831 -7.134 1.00 0.61 C ATOM 283 C ASN A 36 -10.640 6.051 -7.986 1.00 0.63 C ATOM 284 O ASN A 36 -9.769 6.743 -8.511 1.00 0.67 O ATOM 285 CB ASN A 36 -10.389 3.537 -7.960 1.00 0.69 C ATOM 286 CG ASN A 36 -9.338 3.391 -9.050 1.00 1.28 C ATOM 287 OD1 ASN A 36 -8.840 4.364 -9.606 1.00 1.88 O ATOM 288 ND2 ASN A 36 -9.016 2.151 -9.381 1.00 2.01 N ATOM 0 H ASN A 36 -11.784 3.920 -5.989 1.00 0.53 H new ATOM 0 HA ASN A 36 -9.256 4.936 -6.784 1.00 0.61 H new ATOM 0 HB2 ASN A 36 -10.314 2.684 -7.285 1.00 0.69 H new ATOM 0 HB3 ASN A 36 -11.377 3.495 -8.419 1.00 0.69 H new ATOM 0 HD21 ASN A 36 -8.334 1.981 -10.120 1.00 2.01 H new ATOM 0 HD22 ASN A 36 -9.450 1.365 -8.897 1.00 2.01 H new ATOM 295 N ASP A 37 -11.937 6.327 -8.081 1.00 0.63 N ATOM 296 CA ASP A 37 -12.428 7.488 -8.815 1.00 0.68 C ATOM 297 C ASP A 37 -12.044 8.766 -8.088 1.00 0.65 C ATOM 298 O ASP A 37 -11.701 9.762 -8.714 1.00 0.68 O ATOM 299 CB ASP A 37 -13.950 7.423 -8.980 1.00 0.73 C ATOM 300 CG ASP A 37 -14.475 8.538 -9.863 1.00 0.90 C ATOM 301 OD1 ASP A 37 -14.131 8.558 -11.065 1.00 1.05 O ATOM 302 OD2 ASP A 37 -15.237 9.395 -9.364 1.00 1.04 O ATOM 0 H ASP A 37 -12.670 5.759 -7.656 1.00 0.63 H new ATOM 0 HA ASP A 37 -11.971 7.485 -9.804 1.00 0.68 H new ATOM 0 HB2 ASP A 37 -14.227 6.460 -9.409 1.00 0.73 H new ATOM 0 HB3 ASP A 37 -14.424 7.483 -8.000 1.00 0.73 H new ATOM 307 N TYR A 38 -12.097 8.723 -6.764 1.00 0.60 N ATOM 308 CA TYR A 38 -11.683 9.853 -5.942 1.00 0.58 C ATOM 309 C TYR A 38 -10.165 10.009 -5.961 1.00 0.57 C ATOM 310 O TYR A 38 -9.648 11.125 -5.964 1.00 0.57 O ATOM 311 CB TYR A 38 -12.198 9.693 -4.509 1.00 0.54 C ATOM 312 CG TYR A 38 -13.667 10.031 -4.362 1.00 0.56 C ATOM 313 CD1 TYR A 38 -14.652 9.083 -4.609 1.00 0.63 C ATOM 314 CD2 TYR A 38 -14.067 11.307 -3.990 1.00 0.59 C ATOM 315 CE1 TYR A 38 -15.992 9.397 -4.492 1.00 0.67 C ATOM 316 CE2 TYR A 38 -15.405 11.627 -3.864 1.00 0.63 C ATOM 317 CZ TYR A 38 -16.364 10.669 -4.118 1.00 0.65 C ATOM 318 OH TYR A 38 -17.699 10.993 -4.007 1.00 0.71 O ATOM 0 H TYR A 38 -12.424 7.915 -6.234 1.00 0.60 H new ATOM 0 HA TYR A 38 -12.119 10.760 -6.361 1.00 0.58 H new ATOM 0 HB2 TYR A 38 -12.034 8.666 -4.183 1.00 0.54 H new ATOM 0 HB3 TYR A 38 -11.616 10.334 -3.847 1.00 0.54 H new ATOM 0 HD1 TYR A 38 -14.365 8.083 -4.898 1.00 0.63 H new ATOM 0 HD2 TYR A 38 -13.320 12.062 -3.796 1.00 0.59 H new ATOM 0 HE1 TYR A 38 -16.744 8.649 -4.693 1.00 0.67 H new ATOM 0 HE2 TYR A 38 -15.699 12.623 -3.568 1.00 0.63 H new ATOM 0 HH TYR A 38 -17.787 11.930 -3.733 1.00 0.71 H new ATOM 328 N PHE A 39 -9.459 8.886 -5.994 1.00 0.57 N ATOM 329 CA PHE A 39 -8.017 8.877 -6.153 1.00 0.57 C ATOM 330 C PHE A 39 -7.646 9.577 -7.454 1.00 0.63 C ATOM 331 O PHE A 39 -6.739 10.408 -7.500 1.00 0.67 O ATOM 332 CB PHE A 39 -7.528 7.423 -6.147 1.00 0.58 C ATOM 333 CG PHE A 39 -6.069 7.252 -6.442 1.00 0.58 C ATOM 334 CD1 PHE A 39 -5.125 7.359 -5.435 1.00 0.55 C ATOM 335 CD2 PHE A 39 -5.644 6.976 -7.731 1.00 0.70 C ATOM 336 CE1 PHE A 39 -3.783 7.195 -5.709 1.00 0.59 C ATOM 337 CE2 PHE A 39 -4.306 6.811 -8.011 1.00 0.73 C ATOM 338 CZ PHE A 39 -3.372 6.922 -6.999 1.00 0.65 C ATOM 0 H PHE A 39 -9.873 7.958 -5.911 1.00 0.57 H new ATOM 0 HA PHE A 39 -7.539 9.411 -5.332 1.00 0.57 H new ATOM 0 HB2 PHE A 39 -7.741 6.986 -5.171 1.00 0.58 H new ATOM 0 HB3 PHE A 39 -8.102 6.858 -6.881 1.00 0.58 H new ATOM 0 HD1 PHE A 39 -5.442 7.573 -4.425 1.00 0.55 H new ATOM 0 HD2 PHE A 39 -6.370 6.889 -8.526 1.00 0.70 H new ATOM 0 HE1 PHE A 39 -3.055 7.280 -4.916 1.00 0.59 H new ATOM 0 HE2 PHE A 39 -3.987 6.595 -9.020 1.00 0.73 H new ATOM 0 HZ PHE A 39 -2.322 6.795 -7.216 1.00 0.65 H new ATOM 348 N LYS A 40 -8.387 9.249 -8.502 1.00 0.66 N ATOM 349 CA LYS A 40 -8.221 9.878 -9.803 1.00 0.74 C ATOM 350 C LYS A 40 -8.761 11.309 -9.778 1.00 0.73 C ATOM 351 O LYS A 40 -8.352 12.156 -10.572 1.00 0.79 O ATOM 352 CB LYS A 40 -8.927 9.024 -10.868 1.00 0.82 C ATOM 353 CG LYS A 40 -9.953 9.759 -11.719 1.00 1.18 C ATOM 354 CD LYS A 40 -10.701 8.784 -12.608 1.00 1.09 C ATOM 355 CE LYS A 40 -11.706 9.480 -13.512 1.00 1.56 C ATOM 356 NZ LYS A 40 -12.799 10.134 -12.744 1.00 2.26 N ATOM 0 H LYS A 40 -9.120 8.540 -8.474 1.00 0.66 H new ATOM 0 HA LYS A 40 -7.162 9.938 -10.052 1.00 0.74 H new ATOM 0 HB2 LYS A 40 -8.171 8.598 -11.528 1.00 0.82 H new ATOM 0 HB3 LYS A 40 -9.423 8.190 -10.371 1.00 0.82 H new ATOM 0 HG2 LYS A 40 -10.657 10.287 -11.076 1.00 1.18 H new ATOM 0 HG3 LYS A 40 -9.455 10.511 -12.332 1.00 1.18 H new ATOM 0 HD2 LYS A 40 -9.987 8.232 -13.220 1.00 1.09 H new ATOM 0 HD3 LYS A 40 -11.220 8.054 -11.987 1.00 1.09 H new ATOM 0 HE2 LYS A 40 -11.191 10.228 -14.115 1.00 1.56 H new ATOM 0 HE3 LYS A 40 -12.135 8.753 -14.202 1.00 1.56 H new ATOM 0 HZ1 LYS A 40 -13.649 10.202 -13.339 1.00 2.26 H new ATOM 0 HZ2 LYS A 40 -13.014 9.570 -11.897 1.00 2.26 H new ATOM 0 HZ3 LYS A 40 -12.500 11.088 -12.458 1.00 2.26 H new ATOM 370 N ALA A 41 -9.670 11.577 -8.846 1.00 0.68 N ATOM 371 CA ALA A 41 -10.222 12.913 -8.674 1.00 0.70 C ATOM 372 C ALA A 41 -9.297 13.770 -7.822 1.00 0.71 C ATOM 373 O ALA A 41 -9.585 14.942 -7.578 1.00 0.78 O ATOM 374 CB ALA A 41 -11.598 12.848 -8.036 1.00 0.68 C ATOM 0 H ALA A 41 -10.040 10.883 -8.197 1.00 0.68 H new ATOM 0 HA ALA A 41 -10.314 13.368 -9.660 1.00 0.70 H new ATOM 0 HB1 ALA A 41 -11.992 13.857 -7.917 1.00 0.68 H new ATOM 0 HB2 ALA A 41 -12.268 12.270 -8.673 1.00 0.68 H new ATOM 0 HB3 ALA A 41 -11.524 12.370 -7.059 1.00 0.68 H new ATOM 380 N LYS A 42 -8.208 13.149 -7.349 1.00 0.68 N ATOM 381 CA LYS A 42 -7.158 13.826 -6.574 1.00 0.70 C ATOM 382 C LYS A 42 -7.568 13.978 -5.111 1.00 0.66 C ATOM 383 O LYS A 42 -6.885 14.641 -4.328 1.00 0.70 O ATOM 384 CB LYS A 42 -6.811 15.199 -7.169 1.00 0.82 C ATOM 385 CG LYS A 42 -6.240 15.151 -8.578 1.00 0.96 C ATOM 386 CD LYS A 42 -4.866 14.503 -8.615 1.00 1.41 C ATOM 387 CE LYS A 42 -4.279 14.547 -10.015 1.00 1.57 C ATOM 388 NZ LYS A 42 -2.926 13.935 -10.071 1.00 2.30 N ATOM 0 H LYS A 42 -8.029 12.155 -7.494 1.00 0.68 H new ATOM 0 HA LYS A 42 -6.268 13.199 -6.625 1.00 0.70 H new ATOM 0 HB2 LYS A 42 -7.710 15.815 -7.176 1.00 0.82 H new ATOM 0 HB3 LYS A 42 -6.091 15.692 -6.516 1.00 0.82 H new ATOM 0 HG2 LYS A 42 -6.919 14.597 -9.226 1.00 0.96 H new ATOM 0 HG3 LYS A 42 -6.174 16.163 -8.977 1.00 0.96 H new ATOM 0 HD2 LYS A 42 -4.200 15.016 -7.922 1.00 1.41 H new ATOM 0 HD3 LYS A 42 -4.939 13.468 -8.280 1.00 1.41 H new ATOM 0 HE2 LYS A 42 -4.943 14.023 -10.703 1.00 1.57 H new ATOM 0 HE3 LYS A 42 -4.223 15.582 -10.352 1.00 1.57 H new ATOM 0 HZ1 LYS A 42 -2.562 13.986 -11.044 1.00 2.30 H new ATOM 0 HZ2 LYS A 42 -2.285 14.450 -9.434 1.00 2.30 H new ATOM 0 HZ3 LYS A 42 -2.983 12.940 -9.774 1.00 2.30 H new ATOM 402 N ASP A 43 -8.666 13.334 -4.744 1.00 0.61 N ATOM 403 CA ASP A 43 -9.186 13.414 -3.388 1.00 0.58 C ATOM 404 C ASP A 43 -8.837 12.144 -2.626 1.00 0.52 C ATOM 405 O ASP A 43 -9.624 11.196 -2.578 1.00 0.54 O ATOM 406 CB ASP A 43 -10.700 13.605 -3.402 1.00 0.61 C ATOM 407 CG ASP A 43 -11.227 14.187 -2.104 1.00 0.61 C ATOM 408 OD1 ASP A 43 -10.914 13.646 -1.021 1.00 0.60 O ATOM 409 OD2 ASP A 43 -11.973 15.186 -2.162 1.00 0.73 O ATOM 0 H ASP A 43 -9.216 12.747 -5.371 1.00 0.61 H new ATOM 0 HA ASP A 43 -8.731 14.272 -2.893 1.00 0.58 H new ATOM 0 HB2 ASP A 43 -10.972 14.263 -4.228 1.00 0.61 H new ATOM 0 HB3 ASP A 43 -11.182 12.645 -3.587 1.00 0.61 H new ATOM 414 N TYR A 44 -7.642 12.116 -2.060 1.00 0.48 N ATOM 415 CA TYR A 44 -7.152 10.938 -1.364 1.00 0.45 C ATOM 416 C TYR A 44 -7.852 10.754 -0.029 1.00 0.44 C ATOM 417 O TYR A 44 -7.895 9.651 0.505 1.00 0.43 O ATOM 418 CB TYR A 44 -5.642 11.035 -1.173 1.00 0.45 C ATOM 419 CG TYR A 44 -4.908 11.362 -2.453 1.00 0.48 C ATOM 420 CD1 TYR A 44 -4.850 10.447 -3.497 1.00 0.49 C ATOM 421 CD2 TYR A 44 -4.278 12.590 -2.620 1.00 0.57 C ATOM 422 CE1 TYR A 44 -4.184 10.746 -4.669 1.00 0.57 C ATOM 423 CE2 TYR A 44 -3.611 12.894 -3.788 1.00 0.65 C ATOM 424 CZ TYR A 44 -3.567 11.970 -4.809 1.00 0.64 C ATOM 425 OH TYR A 44 -2.902 12.269 -5.975 1.00 0.75 O ATOM 0 H TYR A 44 -6.990 12.900 -2.069 1.00 0.48 H new ATOM 0 HA TYR A 44 -7.375 10.063 -1.975 1.00 0.45 H new ATOM 0 HB2 TYR A 44 -5.423 11.801 -0.429 1.00 0.45 H new ATOM 0 HB3 TYR A 44 -5.269 10.090 -0.777 1.00 0.45 H new ATOM 0 HD1 TYR A 44 -5.333 9.487 -3.390 1.00 0.49 H new ATOM 0 HD2 TYR A 44 -4.312 13.317 -1.822 1.00 0.57 H new ATOM 0 HE1 TYR A 44 -4.147 10.024 -5.472 1.00 0.57 H new ATOM 0 HE2 TYR A 44 -3.125 13.852 -3.902 1.00 0.65 H new ATOM 0 HH TYR A 44 -2.523 13.171 -5.914 1.00 0.75 H new ATOM 435 N GLU A 45 -8.425 11.825 0.487 1.00 0.48 N ATOM 436 CA GLU A 45 -9.112 11.774 1.767 1.00 0.50 C ATOM 437 C GLU A 45 -10.432 11.079 1.641 1.00 0.46 C ATOM 438 O GLU A 45 -10.777 10.226 2.459 1.00 0.43 O ATOM 439 CB GLU A 45 -9.320 13.169 2.294 1.00 0.61 C ATOM 440 CG GLU A 45 -8.007 13.830 2.519 1.00 0.76 C ATOM 441 CD GLU A 45 -8.122 15.281 2.914 1.00 0.87 C ATOM 442 OE1 GLU A 45 -8.373 15.549 4.105 1.00 1.47 O ATOM 443 OE2 GLU A 45 -7.978 16.156 2.038 1.00 1.17 O ATOM 0 H GLU A 45 -8.429 12.742 0.040 1.00 0.48 H new ATOM 0 HA GLU A 45 -8.492 11.210 2.464 1.00 0.50 H new ATOM 0 HB2 GLU A 45 -9.912 13.749 1.586 1.00 0.61 H new ATOM 0 HB3 GLU A 45 -9.883 13.134 3.227 1.00 0.61 H new ATOM 0 HG2 GLU A 45 -7.467 13.292 3.298 1.00 0.76 H new ATOM 0 HG3 GLU A 45 -7.411 13.756 1.609 1.00 0.76 H new ATOM 450 N ASN A 46 -11.182 11.439 0.624 1.00 0.48 N ATOM 451 CA ASN A 46 -12.424 10.772 0.394 1.00 0.48 C ATOM 452 C ASN A 46 -12.155 9.327 0.002 1.00 0.43 C ATOM 453 O ASN A 46 -12.922 8.428 0.337 1.00 0.43 O ATOM 454 CB ASN A 46 -13.267 11.481 -0.669 1.00 0.53 C ATOM 455 CG ASN A 46 -14.150 12.569 -0.091 1.00 0.60 C ATOM 456 OD1 ASN A 46 -15.312 12.331 0.240 1.00 0.66 O ATOM 457 ND2 ASN A 46 -13.609 13.769 0.029 1.00 0.63 N ATOM 0 H ASN A 46 -10.952 12.177 -0.041 1.00 0.48 H new ATOM 0 HA ASN A 46 -13.003 10.795 1.317 1.00 0.48 H new ATOM 0 HB2 ASN A 46 -12.606 11.916 -1.419 1.00 0.53 H new ATOM 0 HB3 ASN A 46 -13.890 10.747 -1.180 1.00 0.53 H new ATOM 0 HD21 ASN A 46 -14.158 14.540 0.408 1.00 0.63 H new ATOM 0 HD22 ASN A 46 -12.642 13.924 -0.257 1.00 0.63 H new ATOM 464 N ALA A 47 -11.043 9.111 -0.693 1.00 0.41 N ATOM 465 CA ALA A 47 -10.585 7.765 -0.999 1.00 0.38 C ATOM 466 C ALA A 47 -10.369 6.987 0.296 1.00 0.34 C ATOM 467 O ALA A 47 -10.895 5.888 0.459 1.00 0.32 O ATOM 468 CB ALA A 47 -9.311 7.811 -1.829 1.00 0.40 C ATOM 0 H ALA A 47 -10.443 9.853 -1.054 1.00 0.41 H new ATOM 0 HA ALA A 47 -11.347 7.254 -1.588 1.00 0.38 H new ATOM 0 HB1 ALA A 47 -8.983 6.795 -2.048 1.00 0.40 H new ATOM 0 HB2 ALA A 47 -9.504 8.340 -2.762 1.00 0.40 H new ATOM 0 HB3 ALA A 47 -8.532 8.331 -1.272 1.00 0.40 H new ATOM 474 N ILE A 48 -9.616 7.589 1.223 1.00 0.34 N ATOM 475 CA ILE A 48 -9.427 7.038 2.569 1.00 0.32 C ATOM 476 C ILE A 48 -10.769 6.634 3.170 1.00 0.29 C ATOM 477 O ILE A 48 -10.924 5.529 3.696 1.00 0.28 O ATOM 478 CB ILE A 48 -8.747 8.072 3.509 1.00 0.35 C ATOM 479 CG1 ILE A 48 -7.295 8.312 3.098 1.00 0.37 C ATOM 480 CG2 ILE A 48 -8.814 7.627 4.964 1.00 0.39 C ATOM 481 CD1 ILE A 48 -6.605 9.399 3.897 1.00 0.42 C ATOM 0 H ILE A 48 -9.123 8.467 1.063 1.00 0.34 H new ATOM 0 HA ILE A 48 -8.783 6.163 2.477 1.00 0.32 H new ATOM 0 HB ILE A 48 -9.296 9.009 3.414 1.00 0.35 H new ATOM 0 HG12 ILE A 48 -6.737 7.382 3.210 1.00 0.37 H new ATOM 0 HG13 ILE A 48 -7.265 8.577 2.041 1.00 0.37 H new ATOM 0 HG21 ILE A 48 -8.330 8.372 5.595 1.00 0.39 H new ATOM 0 HG22 ILE A 48 -9.856 7.520 5.264 1.00 0.39 H new ATOM 0 HG23 ILE A 48 -8.304 6.670 5.076 1.00 0.39 H new ATOM 0 HD11 ILE A 48 -5.579 9.511 3.548 1.00 0.42 H new ATOM 0 HD12 ILE A 48 -7.138 10.341 3.766 1.00 0.42 H new ATOM 0 HD13 ILE A 48 -6.601 9.128 4.953 1.00 0.42 H new ATOM 493 N LYS A 49 -11.734 7.535 3.066 1.00 0.31 N ATOM 494 CA LYS A 49 -13.072 7.310 3.588 1.00 0.32 C ATOM 495 C LYS A 49 -13.736 6.108 2.922 1.00 0.27 C ATOM 496 O LYS A 49 -14.215 5.208 3.603 1.00 0.27 O ATOM 497 CB LYS A 49 -13.922 8.561 3.379 1.00 0.39 C ATOM 498 CG LYS A 49 -15.359 8.413 3.839 1.00 0.44 C ATOM 499 CD LYS A 49 -16.094 9.739 3.753 1.00 0.63 C ATOM 500 CE LYS A 49 -16.516 10.061 2.329 1.00 1.02 C ATOM 501 NZ LYS A 49 -17.245 11.356 2.253 1.00 1.50 N ATOM 0 H LYS A 49 -11.611 8.443 2.617 1.00 0.31 H new ATOM 0 HA LYS A 49 -12.990 7.097 4.654 1.00 0.32 H new ATOM 0 HB2 LYS A 49 -13.464 9.393 3.914 1.00 0.39 H new ATOM 0 HB3 LYS A 49 -13.915 8.820 2.320 1.00 0.39 H new ATOM 0 HG2 LYS A 49 -15.867 7.670 3.224 1.00 0.44 H new ATOM 0 HG3 LYS A 49 -15.381 8.046 4.865 1.00 0.44 H new ATOM 0 HD2 LYS A 49 -16.975 9.708 4.395 1.00 0.63 H new ATOM 0 HD3 LYS A 49 -15.452 10.535 4.130 1.00 0.63 H new ATOM 0 HE2 LYS A 49 -15.635 10.101 1.688 1.00 1.02 H new ATOM 0 HE3 LYS A 49 -17.152 9.262 1.948 1.00 1.02 H new ATOM 0 HZ1 LYS A 49 -18.223 11.186 1.942 1.00 1.50 H new ATOM 0 HZ2 LYS A 49 -17.253 11.805 3.191 1.00 1.50 H new ATOM 0 HZ3 LYS A 49 -16.769 11.983 1.573 1.00 1.50 H new ATOM 515 N PHE A 50 -13.755 6.091 1.593 1.00 0.27 N ATOM 516 CA PHE A 50 -14.413 5.015 0.853 1.00 0.27 C ATOM 517 C PHE A 50 -13.728 3.673 1.077 1.00 0.23 C ATOM 518 O PHE A 50 -14.388 2.638 1.121 1.00 0.25 O ATOM 519 CB PHE A 50 -14.488 5.344 -0.637 1.00 0.35 C ATOM 520 CG PHE A 50 -15.592 6.304 -0.975 1.00 0.43 C ATOM 521 CD1 PHE A 50 -15.399 7.670 -0.878 1.00 0.71 C ATOM 522 CD2 PHE A 50 -16.828 5.835 -1.381 1.00 0.56 C ATOM 523 CE1 PHE A 50 -16.417 8.552 -1.176 1.00 0.81 C ATOM 524 CE2 PHE A 50 -17.851 6.712 -1.683 1.00 0.65 C ATOM 525 CZ PHE A 50 -17.644 8.072 -1.581 1.00 0.66 C ATOM 0 H PHE A 50 -13.325 6.806 1.007 1.00 0.27 H new ATOM 0 HA PHE A 50 -15.429 4.931 1.238 1.00 0.27 H new ATOM 0 HB2 PHE A 50 -13.536 5.767 -0.958 1.00 0.35 H new ATOM 0 HB3 PHE A 50 -14.632 4.422 -1.200 1.00 0.35 H new ATOM 0 HD1 PHE A 50 -14.438 8.051 -0.565 1.00 0.71 H new ATOM 0 HD2 PHE A 50 -16.995 4.771 -1.463 1.00 0.56 H new ATOM 0 HE1 PHE A 50 -16.253 9.616 -1.092 1.00 0.81 H new ATOM 0 HE2 PHE A 50 -18.812 6.334 -1.999 1.00 0.65 H new ATOM 0 HZ PHE A 50 -18.442 8.760 -1.818 1.00 0.66 H new ATOM 535 N TYR A 51 -12.413 3.687 1.237 1.00 0.23 N ATOM 536 CA TYR A 51 -11.694 2.463 1.568 1.00 0.25 C ATOM 537 C TYR A 51 -12.066 2.007 2.973 1.00 0.21 C ATOM 538 O TYR A 51 -12.247 0.817 3.223 1.00 0.23 O ATOM 539 CB TYR A 51 -10.177 2.649 1.437 1.00 0.31 C ATOM 540 CG TYR A 51 -9.724 2.857 0.009 1.00 0.43 C ATOM 541 CD1 TYR A 51 -10.188 2.032 -1.005 1.00 0.53 C ATOM 542 CD2 TYR A 51 -8.852 3.884 -0.330 1.00 0.51 C ATOM 543 CE1 TYR A 51 -9.798 2.222 -2.315 1.00 0.67 C ATOM 544 CE2 TYR A 51 -8.460 4.084 -1.641 1.00 0.65 C ATOM 545 CZ TYR A 51 -8.937 3.248 -2.630 1.00 0.72 C ATOM 546 OH TYR A 51 -8.561 3.442 -3.941 1.00 0.88 O ATOM 0 H TYR A 51 -11.828 4.518 1.145 1.00 0.23 H new ATOM 0 HA TYR A 51 -11.987 1.691 0.856 1.00 0.25 H new ATOM 0 HB2 TYR A 51 -9.869 3.505 2.037 1.00 0.31 H new ATOM 0 HB3 TYR A 51 -9.673 1.774 1.848 1.00 0.31 H new ATOM 0 HD1 TYR A 51 -10.866 1.227 -0.765 1.00 0.53 H new ATOM 0 HD2 TYR A 51 -8.474 4.537 0.443 1.00 0.51 H new ATOM 0 HE1 TYR A 51 -10.167 1.567 -3.091 1.00 0.67 H new ATOM 0 HE2 TYR A 51 -7.785 4.889 -1.889 1.00 0.65 H new ATOM 0 HH TYR A 51 -7.951 4.207 -3.997 1.00 0.88 H new ATOM 556 N SER A 52 -12.221 2.967 3.879 1.00 0.20 N ATOM 557 CA SER A 52 -12.648 2.671 5.235 1.00 0.22 C ATOM 558 C SER A 52 -14.063 2.113 5.219 1.00 0.22 C ATOM 559 O SER A 52 -14.378 1.166 5.935 1.00 0.23 O ATOM 560 CB SER A 52 -12.585 3.928 6.104 1.00 0.25 C ATOM 561 OG SER A 52 -11.269 4.456 6.133 1.00 0.56 O ATOM 0 H SER A 52 -12.056 3.957 3.695 1.00 0.20 H new ATOM 0 HA SER A 52 -11.975 1.926 5.660 1.00 0.22 H new ATOM 0 HB2 SER A 52 -13.274 4.678 5.716 1.00 0.25 H new ATOM 0 HB3 SER A 52 -12.909 3.691 7.117 1.00 0.25 H new ATOM 0 HG SER A 52 -11.124 5.017 5.343 1.00 0.56 H new ATOM 567 N GLN A 53 -14.896 2.695 4.367 1.00 0.24 N ATOM 568 CA GLN A 53 -16.275 2.261 4.209 1.00 0.27 C ATOM 569 C GLN A 53 -16.338 0.834 3.663 1.00 0.26 C ATOM 570 O GLN A 53 -17.247 0.072 3.991 1.00 0.30 O ATOM 571 CB GLN A 53 -17.032 3.238 3.301 1.00 0.31 C ATOM 572 CG GLN A 53 -17.216 4.614 3.919 1.00 0.37 C ATOM 573 CD GLN A 53 -18.138 5.507 3.113 1.00 0.49 C ATOM 574 OE1 GLN A 53 -17.575 6.275 2.196 1.00 1.12 O flip ATOM 575 NE2 GLN A 53 -19.349 5.512 3.322 1.00 0.94 N flip ATOM 0 H GLN A 53 -14.635 3.478 3.768 1.00 0.24 H new ATOM 0 HA GLN A 53 -16.756 2.258 5.187 1.00 0.27 H new ATOM 0 HB2 GLN A 53 -16.493 3.340 2.359 1.00 0.31 H new ATOM 0 HB3 GLN A 53 -18.010 2.820 3.065 1.00 0.31 H new ATOM 0 HG2 GLN A 53 -17.616 4.503 4.927 1.00 0.37 H new ATOM 0 HG3 GLN A 53 -16.243 5.097 4.014 1.00 0.37 H new ATOM 0 HE21 GLN A 53 -19.745 4.904 4.039 1.00 0.94 H new ATOM 0 HE22 GLN A 53 -19.958 6.124 2.779 1.00 0.94 H new ATOM 584 N ALA A 54 -15.355 0.465 2.852 1.00 0.23 N ATOM 585 CA ALA A 54 -15.243 -0.906 2.363 1.00 0.24 C ATOM 586 C ALA A 54 -14.880 -1.855 3.505 1.00 0.23 C ATOM 587 O ALA A 54 -15.227 -3.034 3.482 1.00 0.25 O ATOM 588 CB ALA A 54 -14.210 -0.987 1.252 1.00 0.25 C ATOM 0 H ALA A 54 -14.624 1.094 2.518 1.00 0.23 H new ATOM 0 HA ALA A 54 -16.209 -1.210 1.960 1.00 0.24 H new ATOM 0 HB1 ALA A 54 -14.137 -2.015 0.897 1.00 0.25 H new ATOM 0 HB2 ALA A 54 -14.510 -0.339 0.428 1.00 0.25 H new ATOM 0 HB3 ALA A 54 -13.241 -0.665 1.632 1.00 0.25 H new ATOM 594 N ILE A 55 -14.193 -1.314 4.508 1.00 0.22 N ATOM 595 CA ILE A 55 -13.826 -2.063 5.716 1.00 0.22 C ATOM 596 C ILE A 55 -14.984 -2.048 6.708 1.00 0.24 C ATOM 597 O ILE A 55 -14.959 -2.701 7.751 1.00 0.27 O ATOM 598 CB ILE A 55 -12.586 -1.451 6.389 1.00 0.23 C ATOM 599 CG1 ILE A 55 -11.487 -1.228 5.360 1.00 0.24 C ATOM 600 CG2 ILE A 55 -12.083 -2.347 7.513 1.00 0.27 C ATOM 601 CD1 ILE A 55 -10.428 -0.274 5.841 1.00 0.28 C ATOM 0 H ILE A 55 -13.873 -0.345 4.510 1.00 0.22 H new ATOM 0 HA ILE A 55 -13.599 -3.087 5.420 1.00 0.22 H new ATOM 0 HB ILE A 55 -12.868 -0.490 6.819 1.00 0.23 H new ATOM 0 HG12 ILE A 55 -11.025 -2.184 5.115 1.00 0.24 H new ATOM 0 HG13 ILE A 55 -11.928 -0.842 4.441 1.00 0.24 H new ATOM 0 HG21 ILE A 55 -11.206 -1.894 7.974 1.00 0.27 H new ATOM 0 HG22 ILE A 55 -12.866 -2.466 8.262 1.00 0.27 H new ATOM 0 HG23 ILE A 55 -11.817 -3.324 7.108 1.00 0.27 H new ATOM 0 HD11 ILE A 55 -9.670 -0.152 5.068 1.00 0.28 H new ATOM 0 HD12 ILE A 55 -10.882 0.693 6.060 1.00 0.28 H new ATOM 0 HD13 ILE A 55 -9.964 -0.670 6.744 1.00 0.28 H new ATOM 613 N GLU A 56 -15.992 -1.271 6.389 1.00 0.27 N ATOM 614 CA GLU A 56 -17.225 -1.299 7.144 1.00 0.31 C ATOM 615 C GLU A 56 -18.107 -2.407 6.590 1.00 0.31 C ATOM 616 O GLU A 56 -18.899 -3.019 7.308 1.00 0.34 O ATOM 617 CB GLU A 56 -17.921 0.056 7.044 1.00 0.34 C ATOM 618 CG GLU A 56 -16.997 1.220 7.359 1.00 0.36 C ATOM 619 CD GLU A 56 -16.716 1.369 8.838 1.00 0.45 C ATOM 620 OE1 GLU A 56 -17.677 1.418 9.633 1.00 0.78 O ATOM 621 OE2 GLU A 56 -15.530 1.466 9.214 1.00 0.81 O ATOM 0 H GLU A 56 -15.984 -0.611 5.612 1.00 0.27 H new ATOM 0 HA GLU A 56 -17.022 -1.496 8.197 1.00 0.31 H new ATOM 0 HB2 GLU A 56 -18.322 0.179 6.038 1.00 0.34 H new ATOM 0 HB3 GLU A 56 -18.768 0.075 7.730 1.00 0.34 H new ATOM 0 HG2 GLU A 56 -16.055 1.083 6.828 1.00 0.36 H new ATOM 0 HG3 GLU A 56 -17.443 2.142 6.985 1.00 0.36 H new ATOM 628 N LEU A 57 -17.931 -2.676 5.302 1.00 0.31 N ATOM 629 CA LEU A 57 -18.652 -3.744 4.630 1.00 0.33 C ATOM 630 C LEU A 57 -17.942 -5.075 4.848 1.00 0.33 C ATOM 631 O LEU A 57 -18.507 -5.985 5.448 1.00 0.40 O ATOM 632 CB LEU A 57 -18.763 -3.440 3.143 1.00 0.34 C ATOM 633 CG LEU A 57 -19.298 -2.046 2.820 1.00 0.35 C ATOM 634 CD1 LEU A 57 -19.266 -1.802 1.331 1.00 0.37 C ATOM 635 CD2 LEU A 57 -20.708 -1.865 3.351 1.00 0.40 C ATOM 0 H LEU A 57 -17.288 -2.162 4.699 1.00 0.31 H new ATOM 0 HA LEU A 57 -19.656 -3.813 5.050 1.00 0.33 H new ATOM 0 HB2 LEU A 57 -17.779 -3.552 2.688 1.00 0.34 H new ATOM 0 HB3 LEU A 57 -19.415 -4.182 2.681 1.00 0.34 H new ATOM 0 HG LEU A 57 -18.654 -1.317 3.311 1.00 0.35 H new ATOM 0 HD11 LEU A 57 -19.650 -0.805 1.117 1.00 0.37 H new ATOM 0 HD12 LEU A 57 -18.240 -1.880 0.971 1.00 0.37 H new ATOM 0 HD13 LEU A 57 -19.885 -2.545 0.827 1.00 0.37 H new ATOM 0 HD21 LEU A 57 -21.063 -0.864 3.107 1.00 0.40 H new ATOM 0 HD22 LEU A 57 -21.366 -2.605 2.895 1.00 0.40 H new ATOM 0 HD23 LEU A 57 -20.709 -1.996 4.433 1.00 0.40 H new ATOM 647 N ASN A 58 -16.698 -5.181 4.385 1.00 0.29 N ATOM 648 CA ASN A 58 -15.888 -6.347 4.683 1.00 0.30 C ATOM 649 C ASN A 58 -15.075 -5.995 5.919 1.00 0.30 C ATOM 650 O ASN A 58 -15.077 -4.846 6.317 1.00 0.34 O ATOM 651 CB ASN A 58 -14.980 -6.612 3.458 1.00 0.35 C ATOM 652 CG ASN A 58 -14.069 -7.820 3.586 1.00 0.59 C ATOM 653 OD1 ASN A 58 -12.946 -7.719 4.075 1.00 1.53 O ATOM 654 ND2 ASN A 58 -14.535 -8.966 3.119 1.00 0.57 N ATOM 0 H ASN A 58 -16.237 -4.477 3.808 1.00 0.29 H new ATOM 0 HA ASN A 58 -16.474 -7.246 4.875 1.00 0.30 H new ATOM 0 HB2 ASN A 58 -15.610 -6.742 2.578 1.00 0.35 H new ATOM 0 HB3 ASN A 58 -14.366 -5.729 3.282 1.00 0.35 H new ATOM 0 HD21 ASN A 58 -13.957 -9.805 3.158 1.00 0.57 H new ATOM 0 HD22 ASN A 58 -15.473 -9.011 2.720 1.00 0.57 H new ATOM 661 N PRO A 59 -14.387 -6.926 6.568 1.00 0.31 N ATOM 662 CA PRO A 59 -13.420 -6.583 7.590 1.00 0.35 C ATOM 663 C PRO A 59 -11.956 -6.805 7.198 1.00 0.35 C ATOM 664 O PRO A 59 -11.239 -5.860 6.859 1.00 0.35 O ATOM 665 CB PRO A 59 -13.862 -7.505 8.706 1.00 0.41 C ATOM 666 CG PRO A 59 -14.406 -8.734 8.014 1.00 0.41 C ATOM 667 CD PRO A 59 -14.635 -8.364 6.560 1.00 0.34 C ATOM 0 HA PRO A 59 -13.416 -5.520 7.831 1.00 0.35 H new ATOM 0 HB2 PRO A 59 -13.028 -7.759 9.361 1.00 0.41 H new ATOM 0 HB3 PRO A 59 -14.623 -7.034 9.328 1.00 0.41 H new ATOM 0 HG2 PRO A 59 -13.704 -9.564 8.094 1.00 0.41 H new ATOM 0 HG3 PRO A 59 -15.337 -9.058 8.480 1.00 0.41 H new ATOM 0 HD2 PRO A 59 -13.953 -8.892 5.893 1.00 0.34 H new ATOM 0 HD3 PRO A 59 -15.648 -8.601 6.234 1.00 0.34 H new ATOM 675 N SER A 60 -11.517 -8.058 7.252 1.00 0.44 N ATOM 676 CA SER A 60 -10.128 -8.396 7.022 1.00 0.49 C ATOM 677 C SER A 60 -9.831 -8.450 5.531 1.00 0.49 C ATOM 678 O SER A 60 -9.809 -9.519 4.917 1.00 0.68 O ATOM 679 CB SER A 60 -9.785 -9.733 7.690 1.00 0.63 C ATOM 680 OG SER A 60 -8.394 -9.996 7.642 1.00 1.52 O ATOM 0 H SER A 60 -12.114 -8.859 7.456 1.00 0.44 H new ATOM 0 HA SER A 60 -9.505 -7.619 7.466 1.00 0.49 H new ATOM 0 HB2 SER A 60 -10.118 -9.718 8.728 1.00 0.63 H new ATOM 0 HB3 SER A 60 -10.326 -10.538 7.193 1.00 0.63 H new ATOM 0 HG SER A 60 -8.208 -10.854 8.077 1.00 1.52 H new ATOM 686 N ASN A 61 -9.666 -7.279 4.946 1.00 0.43 N ATOM 687 CA ASN A 61 -9.258 -7.174 3.565 1.00 0.45 C ATOM 688 C ASN A 61 -8.009 -6.316 3.475 1.00 0.38 C ATOM 689 O ASN A 61 -8.084 -5.084 3.506 1.00 0.34 O ATOM 690 CB ASN A 61 -10.370 -6.579 2.705 1.00 0.48 C ATOM 691 CG ASN A 61 -10.100 -6.749 1.226 1.00 0.79 C ATOM 692 OD1 ASN A 61 -9.418 -5.935 0.612 1.00 1.76 O ATOM 693 ND2 ASN A 61 -10.638 -7.809 0.643 1.00 1.07 N ATOM 0 H ASN A 61 -9.810 -6.383 5.413 1.00 0.43 H new ATOM 0 HA ASN A 61 -9.045 -8.174 3.187 1.00 0.45 H new ATOM 0 HB2 ASN A 61 -11.317 -7.056 2.957 1.00 0.48 H new ATOM 0 HB3 ASN A 61 -10.476 -5.519 2.934 1.00 0.48 H new ATOM 0 HD21 ASN A 61 -10.491 -7.973 -0.353 1.00 1.07 H new ATOM 0 HD22 ASN A 61 -11.199 -8.462 1.190 1.00 1.07 H new ATOM 700 N ALA A 62 -6.863 -6.977 3.394 1.00 0.42 N ATOM 701 CA ALA A 62 -5.574 -6.296 3.352 1.00 0.42 C ATOM 702 C ALA A 62 -5.498 -5.317 2.188 1.00 0.37 C ATOM 703 O ALA A 62 -4.800 -4.312 2.257 1.00 0.38 O ATOM 704 CB ALA A 62 -4.452 -7.311 3.261 1.00 0.52 C ATOM 0 H ALA A 62 -6.799 -7.994 3.356 1.00 0.42 H new ATOM 0 HA ALA A 62 -5.465 -5.724 4.274 1.00 0.42 H new ATOM 0 HB1 ALA A 62 -3.494 -6.792 3.230 1.00 0.52 H new ATOM 0 HB2 ALA A 62 -4.482 -7.966 4.132 1.00 0.52 H new ATOM 0 HB3 ALA A 62 -4.572 -7.906 2.355 1.00 0.52 H new ATOM 710 N ILE A 63 -6.242 -5.613 1.134 1.00 0.36 N ATOM 711 CA ILE A 63 -6.286 -4.762 -0.046 1.00 0.35 C ATOM 712 C ILE A 63 -6.821 -3.376 0.300 1.00 0.31 C ATOM 713 O ILE A 63 -6.249 -2.365 -0.095 1.00 0.34 O ATOM 714 CB ILE A 63 -7.161 -5.402 -1.144 1.00 0.43 C ATOM 715 CG1 ILE A 63 -6.531 -6.717 -1.610 1.00 0.57 C ATOM 716 CG2 ILE A 63 -7.363 -4.450 -2.314 1.00 0.49 C ATOM 717 CD1 ILE A 63 -5.156 -6.545 -2.201 1.00 0.74 C ATOM 0 H ILE A 63 -6.829 -6.445 1.071 1.00 0.36 H new ATOM 0 HA ILE A 63 -5.267 -4.658 -0.420 1.00 0.35 H new ATOM 0 HB ILE A 63 -8.144 -5.613 -0.724 1.00 0.43 H new ATOM 0 HG12 ILE A 63 -6.472 -7.403 -0.765 1.00 0.57 H new ATOM 0 HG13 ILE A 63 -7.182 -7.180 -2.351 1.00 0.57 H new ATOM 0 HG21 ILE A 63 -7.983 -4.930 -3.071 1.00 0.49 H new ATOM 0 HG22 ILE A 63 -7.855 -3.542 -1.964 1.00 0.49 H new ATOM 0 HG23 ILE A 63 -6.396 -4.195 -2.747 1.00 0.49 H new ATOM 0 HD11 ILE A 63 -4.769 -7.516 -2.510 1.00 0.74 H new ATOM 0 HD12 ILE A 63 -5.212 -5.884 -3.066 1.00 0.74 H new ATOM 0 HD13 ILE A 63 -4.491 -6.110 -1.455 1.00 0.74 H new ATOM 729 N TYR A 64 -7.907 -3.334 1.058 1.00 0.29 N ATOM 730 CA TYR A 64 -8.524 -2.066 1.425 1.00 0.28 C ATOM 731 C TYR A 64 -7.630 -1.295 2.387 1.00 0.30 C ATOM 732 O TYR A 64 -7.522 -0.074 2.303 1.00 0.34 O ATOM 733 CB TYR A 64 -9.898 -2.297 2.057 1.00 0.26 C ATOM 734 CG TYR A 64 -10.876 -3.034 1.164 1.00 0.26 C ATOM 735 CD1 TYR A 64 -10.764 -2.992 -0.222 1.00 0.28 C ATOM 736 CD2 TYR A 64 -11.906 -3.785 1.713 1.00 0.38 C ATOM 737 CE1 TYR A 64 -11.647 -3.681 -1.031 1.00 0.30 C ATOM 738 CE2 TYR A 64 -12.790 -4.479 0.910 1.00 0.43 C ATOM 739 CZ TYR A 64 -12.658 -4.421 -0.459 1.00 0.35 C ATOM 740 OH TYR A 64 -13.535 -5.117 -1.259 1.00 0.42 O ATOM 0 H TYR A 64 -8.378 -4.159 1.430 1.00 0.29 H new ATOM 0 HA TYR A 64 -8.653 -1.477 0.517 1.00 0.28 H new ATOM 0 HB2 TYR A 64 -9.770 -2.861 2.981 1.00 0.26 H new ATOM 0 HB3 TYR A 64 -10.327 -1.333 2.329 1.00 0.26 H new ATOM 0 HD1 TYR A 64 -9.973 -2.411 -0.673 1.00 0.28 H new ATOM 0 HD2 TYR A 64 -12.018 -3.827 2.786 1.00 0.38 H new ATOM 0 HE1 TYR A 64 -11.545 -3.640 -2.105 1.00 0.30 H new ATOM 0 HE2 TYR A 64 -13.581 -5.065 1.354 1.00 0.43 H new ATOM 0 HH TYR A 64 -14.027 -5.767 -0.716 1.00 0.42 H new ATOM 750 N TYR A 65 -6.985 -2.019 3.292 1.00 0.30 N ATOM 751 CA TYR A 65 -6.078 -1.409 4.260 1.00 0.32 C ATOM 752 C TYR A 65 -4.795 -0.917 3.584 1.00 0.33 C ATOM 753 O TYR A 65 -4.316 0.181 3.864 1.00 0.37 O ATOM 754 CB TYR A 65 -5.748 -2.402 5.380 1.00 0.34 C ATOM 755 CG TYR A 65 -6.763 -2.423 6.506 1.00 0.36 C ATOM 756 CD1 TYR A 65 -7.939 -3.166 6.422 1.00 0.37 C ATOM 757 CD2 TYR A 65 -6.538 -1.692 7.663 1.00 0.51 C ATOM 758 CE1 TYR A 65 -8.852 -3.174 7.461 1.00 0.40 C ATOM 759 CE2 TYR A 65 -7.446 -1.698 8.703 1.00 0.58 C ATOM 760 CZ TYR A 65 -8.600 -2.437 8.597 1.00 0.47 C ATOM 761 OH TYR A 65 -9.505 -2.438 9.634 1.00 0.55 O ATOM 0 H TYR A 65 -7.072 -3.032 3.377 1.00 0.30 H new ATOM 0 HA TYR A 65 -6.580 -0.544 4.694 1.00 0.32 H new ATOM 0 HB2 TYR A 65 -5.673 -3.402 4.954 1.00 0.34 H new ATOM 0 HB3 TYR A 65 -4.769 -2.157 5.792 1.00 0.34 H new ATOM 0 HD1 TYR A 65 -8.141 -3.744 5.532 1.00 0.37 H new ATOM 0 HD2 TYR A 65 -5.635 -1.107 7.752 1.00 0.51 H new ATOM 0 HE1 TYR A 65 -9.759 -3.756 7.382 1.00 0.40 H new ATOM 0 HE2 TYR A 65 -7.250 -1.124 9.597 1.00 0.58 H new ATOM 0 HH TYR A 65 -9.173 -1.868 10.359 1.00 0.55 H new ATOM 771 N GLY A 66 -4.251 -1.726 2.685 1.00 0.35 N ATOM 772 CA GLY A 66 -3.038 -1.355 1.979 1.00 0.41 C ATOM 773 C GLY A 66 -3.266 -0.217 1.007 1.00 0.43 C ATOM 774 O GLY A 66 -2.366 0.580 0.744 1.00 0.51 O ATOM 0 H GLY A 66 -4.630 -2.638 2.430 1.00 0.35 H new ATOM 0 HA2 GLY A 66 -2.274 -1.066 2.701 1.00 0.41 H new ATOM 0 HA3 GLY A 66 -2.655 -2.221 1.439 1.00 0.41 H new ATOM 778 N ASN A 67 -4.473 -0.136 0.475 1.00 0.44 N ATOM 779 CA ASN A 67 -4.821 0.932 -0.444 1.00 0.57 C ATOM 780 C ASN A 67 -5.128 2.209 0.333 1.00 0.41 C ATOM 781 O ASN A 67 -4.804 3.310 -0.106 1.00 0.38 O ATOM 782 CB ASN A 67 -6.021 0.516 -1.299 1.00 0.84 C ATOM 783 CG ASN A 67 -6.197 1.379 -2.534 1.00 1.28 C ATOM 784 OD1 ASN A 67 -5.857 2.557 -2.546 1.00 2.28 O ATOM 785 ND2 ASN A 67 -6.719 0.786 -3.597 1.00 1.35 N ATOM 0 H ASN A 67 -5.227 -0.796 0.664 1.00 0.44 H new ATOM 0 HA ASN A 67 -3.977 1.125 -1.106 1.00 0.57 H new ATOM 0 HB2 ASN A 67 -5.900 -0.524 -1.603 1.00 0.84 H new ATOM 0 HB3 ASN A 67 -6.926 0.568 -0.694 1.00 0.84 H new ATOM 0 HD21 ASN A 67 -6.849 1.311 -4.462 1.00 1.35 H new ATOM 0 HD22 ASN A 67 -6.991 -0.196 -3.551 1.00 1.35 H new ATOM 792 N ARG A 68 -5.730 2.064 1.505 1.00 0.39 N ATOM 793 CA ARG A 68 -6.027 3.224 2.331 1.00 0.39 C ATOM 794 C ARG A 68 -4.741 3.844 2.872 1.00 0.31 C ATOM 795 O ARG A 68 -4.603 5.068 2.908 1.00 0.32 O ATOM 796 CB ARG A 68 -6.964 2.873 3.484 1.00 0.53 C ATOM 797 CG ARG A 68 -7.354 4.091 4.298 1.00 0.80 C ATOM 798 CD ARG A 68 -8.319 3.755 5.417 1.00 0.48 C ATOM 799 NE ARG A 68 -7.769 2.787 6.363 1.00 0.94 N ATOM 800 CZ ARG A 68 -8.463 2.264 7.376 1.00 1.16 C ATOM 801 NH1 ARG A 68 -9.732 2.611 7.574 1.00 1.42 N ATOM 802 NH2 ARG A 68 -7.887 1.395 8.191 1.00 1.87 N ATOM 0 H ARG A 68 -6.018 1.169 1.900 1.00 0.39 H new ATOM 0 HA ARG A 68 -6.534 3.951 1.697 1.00 0.39 H new ATOM 0 HB2 ARG A 68 -7.863 2.400 3.088 1.00 0.53 H new ATOM 0 HB3 ARG A 68 -6.480 2.144 4.134 1.00 0.53 H new ATOM 0 HG2 ARG A 68 -6.457 4.545 4.720 1.00 0.80 H new ATOM 0 HG3 ARG A 68 -7.808 4.833 3.641 1.00 0.80 H new ATOM 0 HD2 ARG A 68 -8.583 4.668 5.950 1.00 0.48 H new ATOM 0 HD3 ARG A 68 -9.240 3.357 4.990 1.00 0.48 H new ATOM 0 HE ARG A 68 -6.799 2.494 6.242 1.00 0.94 H new ATOM 0 HH11 ARG A 68 -10.181 3.281 6.949 1.00 1.42 H new ATOM 0 HH12 ARG A 68 -10.256 2.207 8.350 1.00 1.42 H new ATOM 0 HH21 ARG A 68 -6.914 1.126 8.045 1.00 1.87 H new ATOM 0 HH22 ARG A 68 -8.416 0.994 8.966 1.00 1.87 H new ATOM 816 N SER A 69 -3.804 3.002 3.294 1.00 0.31 N ATOM 817 CA SER A 69 -2.491 3.481 3.703 1.00 0.32 C ATOM 818 C SER A 69 -1.795 4.173 2.535 1.00 0.27 C ATOM 819 O SER A 69 -1.086 5.156 2.718 1.00 0.27 O ATOM 820 CB SER A 69 -1.644 2.332 4.246 1.00 0.43 C ATOM 821 OG SER A 69 -1.787 1.169 3.457 1.00 1.16 O ATOM 0 H SER A 69 -3.929 1.992 3.361 1.00 0.31 H new ATOM 0 HA SER A 69 -2.618 4.209 4.504 1.00 0.32 H new ATOM 0 HB2 SER A 69 -0.596 2.630 4.270 1.00 0.43 H new ATOM 0 HB3 SER A 69 -1.938 2.115 5.273 1.00 0.43 H new ATOM 0 HG SER A 69 -2.624 0.716 3.691 1.00 1.16 H new ATOM 827 N LEU A 70 -2.026 3.660 1.333 1.00 0.28 N ATOM 828 CA LEU A 70 -1.551 4.289 0.113 1.00 0.31 C ATOM 829 C LEU A 70 -2.157 5.689 -0.035 1.00 0.31 C ATOM 830 O LEU A 70 -1.484 6.618 -0.473 1.00 0.38 O ATOM 831 CB LEU A 70 -1.890 3.386 -1.090 1.00 0.36 C ATOM 832 CG LEU A 70 -1.449 3.872 -2.480 1.00 0.46 C ATOM 833 CD1 LEU A 70 -2.493 4.798 -3.092 1.00 1.25 C ATOM 834 CD2 LEU A 70 -0.091 4.556 -2.410 1.00 1.16 C ATOM 0 H LEU A 70 -2.548 2.797 1.179 1.00 0.28 H new ATOM 0 HA LEU A 70 -0.469 4.410 0.155 1.00 0.31 H new ATOM 0 HB2 LEU A 70 -1.440 2.408 -0.916 1.00 0.36 H new ATOM 0 HB3 LEU A 70 -2.970 3.241 -1.110 1.00 0.36 H new ATOM 0 HG LEU A 70 -1.355 2.999 -3.126 1.00 0.46 H new ATOM 0 HD11 LEU A 70 -2.156 5.127 -4.075 1.00 1.25 H new ATOM 0 HD12 LEU A 70 -3.438 4.265 -3.192 1.00 1.25 H new ATOM 0 HD13 LEU A 70 -2.633 5.666 -2.447 1.00 1.25 H new ATOM 0 HD21 LEU A 70 0.199 4.891 -3.406 1.00 1.16 H new ATOM 0 HD22 LEU A 70 -0.150 5.415 -1.741 1.00 1.16 H new ATOM 0 HD23 LEU A 70 0.652 3.853 -2.033 1.00 1.16 H new ATOM 846 N ALA A 71 -3.420 5.841 0.346 1.00 0.26 N ATOM 847 CA ALA A 71 -4.077 7.140 0.312 1.00 0.30 C ATOM 848 C ALA A 71 -3.433 8.084 1.320 1.00 0.29 C ATOM 849 O ALA A 71 -3.136 9.236 1.002 1.00 0.36 O ATOM 850 CB ALA A 71 -5.560 6.989 0.590 1.00 0.32 C ATOM 0 H ALA A 71 -4.009 5.079 0.682 1.00 0.26 H new ATOM 0 HA ALA A 71 -3.958 7.567 -0.684 1.00 0.30 H new ATOM 0 HB1 ALA A 71 -6.037 7.969 0.561 1.00 0.32 H new ATOM 0 HB2 ALA A 71 -6.008 6.345 -0.166 1.00 0.32 H new ATOM 0 HB3 ALA A 71 -5.702 6.545 1.575 1.00 0.32 H new ATOM 856 N TYR A 72 -3.214 7.582 2.535 1.00 0.25 N ATOM 857 CA TYR A 72 -2.460 8.315 3.551 1.00 0.25 C ATOM 858 C TYR A 72 -1.060 8.659 3.033 1.00 0.26 C ATOM 859 O TYR A 72 -0.497 9.705 3.360 1.00 0.30 O ATOM 860 CB TYR A 72 -2.336 7.484 4.833 1.00 0.25 C ATOM 861 CG TYR A 72 -3.597 7.397 5.671 1.00 0.29 C ATOM 862 CD1 TYR A 72 -4.010 8.466 6.454 1.00 0.34 C ATOM 863 CD2 TYR A 72 -4.353 6.234 5.710 1.00 0.41 C ATOM 864 CE1 TYR A 72 -5.139 8.382 7.244 1.00 0.41 C ATOM 865 CE2 TYR A 72 -5.481 6.141 6.501 1.00 0.47 C ATOM 866 CZ TYR A 72 -5.869 7.218 7.264 1.00 0.43 C ATOM 867 OH TYR A 72 -6.986 7.123 8.062 1.00 0.52 O ATOM 0 H TYR A 72 -3.549 6.668 2.840 1.00 0.25 H new ATOM 0 HA TYR A 72 -2.999 9.236 3.772 1.00 0.25 H new ATOM 0 HB2 TYR A 72 -2.028 6.474 4.564 1.00 0.25 H new ATOM 0 HB3 TYR A 72 -1.540 7.907 5.446 1.00 0.25 H new ATOM 0 HD1 TYR A 72 -3.437 9.381 6.445 1.00 0.34 H new ATOM 0 HD2 TYR A 72 -4.054 5.387 5.111 1.00 0.41 H new ATOM 0 HE1 TYR A 72 -5.447 9.226 7.843 1.00 0.41 H new ATOM 0 HE2 TYR A 72 -6.056 5.227 6.521 1.00 0.47 H new ATOM 0 HH TYR A 72 -7.387 6.235 7.959 1.00 0.52 H new ATOM 877 N LEU A 73 -0.509 7.757 2.233 1.00 0.26 N ATOM 878 CA LEU A 73 0.797 7.946 1.612 1.00 0.30 C ATOM 879 C LEU A 73 0.774 9.074 0.584 1.00 0.37 C ATOM 880 O LEU A 73 1.783 9.744 0.369 1.00 0.50 O ATOM 881 CB LEU A 73 1.248 6.639 0.948 1.00 0.31 C ATOM 882 CG LEU A 73 1.902 5.626 1.887 1.00 0.31 C ATOM 883 CD1 LEU A 73 2.181 4.319 1.159 1.00 0.33 C ATOM 884 CD2 LEU A 73 3.189 6.193 2.465 1.00 0.43 C ATOM 0 H LEU A 73 -0.955 6.871 1.995 1.00 0.26 H new ATOM 0 HA LEU A 73 1.504 8.225 2.393 1.00 0.30 H new ATOM 0 HB2 LEU A 73 0.383 6.170 0.479 1.00 0.31 H new ATOM 0 HB3 LEU A 73 1.952 6.879 0.151 1.00 0.31 H new ATOM 0 HG LEU A 73 1.211 5.423 2.705 1.00 0.31 H new ATOM 0 HD11 LEU A 73 2.647 3.612 1.846 1.00 0.33 H new ATOM 0 HD12 LEU A 73 1.245 3.902 0.789 1.00 0.33 H new ATOM 0 HD13 LEU A 73 2.852 4.506 0.320 1.00 0.33 H new ATOM 0 HD21 LEU A 73 3.643 5.460 3.132 1.00 0.43 H new ATOM 0 HD22 LEU A 73 3.881 6.424 1.655 1.00 0.43 H new ATOM 0 HD23 LEU A 73 2.967 7.103 3.023 1.00 0.43 H new ATOM 896 N ARG A 74 -0.374 9.281 -0.049 1.00 0.38 N ATOM 897 CA ARG A 74 -0.499 10.314 -1.071 1.00 0.48 C ATOM 898 C ARG A 74 -0.593 11.696 -0.437 1.00 0.53 C ATOM 899 O ARG A 74 -0.084 12.671 -0.985 1.00 0.67 O ATOM 900 CB ARG A 74 -1.740 10.092 -1.938 1.00 0.51 C ATOM 901 CG ARG A 74 -1.852 8.707 -2.545 1.00 0.48 C ATOM 902 CD ARG A 74 -0.650 8.367 -3.415 1.00 1.19 C ATOM 903 NE ARG A 74 -0.641 9.111 -4.675 1.00 1.95 N ATOM 904 CZ ARG A 74 0.429 9.743 -5.164 1.00 2.78 C ATOM 905 NH1 ARG A 74 1.564 9.783 -4.475 1.00 3.07 N ATOM 906 NH2 ARG A 74 0.361 10.334 -6.348 1.00 3.53 N ATOM 0 H ARG A 74 -1.228 8.751 0.125 1.00 0.38 H new ATOM 0 HA ARG A 74 0.393 10.253 -1.695 1.00 0.48 H new ATOM 0 HB2 ARG A 74 -2.627 10.281 -1.333 1.00 0.51 H new ATOM 0 HB3 ARG A 74 -1.740 10.827 -2.743 1.00 0.51 H new ATOM 0 HG2 ARG A 74 -1.944 7.968 -1.749 1.00 0.48 H new ATOM 0 HG3 ARG A 74 -2.761 8.646 -3.143 1.00 0.48 H new ATOM 0 HD2 ARG A 74 0.266 8.582 -2.864 1.00 1.19 H new ATOM 0 HD3 ARG A 74 -0.651 7.298 -3.628 1.00 1.19 H new ATOM 0 HE ARG A 74 -1.506 9.149 -5.214 1.00 1.95 H new ATOM 0 HH11 ARG A 74 1.624 9.328 -3.564 1.00 3.07 H new ATOM 0 HH12 ARG A 74 2.376 10.268 -4.857 1.00 3.07 H new ATOM 0 HH21 ARG A 74 -0.507 10.305 -6.883 1.00 3.53 H new ATOM 0 HH22 ARG A 74 1.177 10.818 -6.724 1.00 3.53 H new ATOM 920 N THR A 75 -1.257 11.775 0.708 1.00 0.48 N ATOM 921 CA THR A 75 -1.494 13.052 1.362 1.00 0.57 C ATOM 922 C THR A 75 -0.229 13.558 2.063 1.00 0.70 C ATOM 923 O THR A 75 0.516 14.374 1.510 1.00 1.53 O ATOM 924 CB THR A 75 -2.669 12.949 2.366 1.00 0.54 C ATOM 925 OG1 THR A 75 -2.415 11.919 3.335 1.00 0.55 O ATOM 926 CG2 THR A 75 -3.970 12.635 1.640 1.00 0.49 C ATOM 0 H THR A 75 -1.641 10.969 1.202 1.00 0.48 H new ATOM 0 HA THR A 75 -1.764 13.774 0.591 1.00 0.57 H new ATOM 0 HB THR A 75 -2.760 13.910 2.872 1.00 0.54 H new ATOM 0 HG1 THR A 75 -2.495 12.292 4.238 1.00 0.55 H new ATOM 0 HG21 THR A 75 -4.783 12.567 2.363 1.00 0.49 H new ATOM 0 HG22 THR A 75 -4.187 13.427 0.923 1.00 0.49 H new ATOM 0 HG23 THR A 75 -3.873 11.686 1.113 1.00 0.49 H new ATOM 934 N GLU A 76 -0.005 13.065 3.273 1.00 0.57 N ATOM 935 CA GLU A 76 1.178 13.390 4.069 1.00 0.59 C ATOM 936 C GLU A 76 1.105 12.629 5.387 1.00 0.42 C ATOM 937 O GLU A 76 1.651 13.050 6.407 1.00 0.45 O ATOM 938 CB GLU A 76 1.269 14.898 4.336 1.00 0.86 C ATOM 939 CG GLU A 76 0.066 15.463 5.068 1.00 1.85 C ATOM 940 CD GLU A 76 0.173 16.956 5.284 1.00 2.38 C ATOM 941 OE1 GLU A 76 -0.200 17.722 4.376 1.00 2.77 O ATOM 942 OE2 GLU A 76 0.631 17.367 6.369 1.00 2.71 O ATOM 0 H GLU A 76 -0.645 12.421 3.738 1.00 0.57 H new ATOM 0 HA GLU A 76 2.070 13.098 3.515 1.00 0.59 H new ATOM 0 HB2 GLU A 76 2.167 15.101 4.920 1.00 0.86 H new ATOM 0 HB3 GLU A 76 1.383 15.420 3.386 1.00 0.86 H new ATOM 0 HG2 GLU A 76 -0.838 15.245 4.499 1.00 1.85 H new ATOM 0 HG3 GLU A 76 -0.036 14.965 6.032 1.00 1.85 H new ATOM 949 N CYS A 77 0.458 11.480 5.335 1.00 0.32 N ATOM 950 CA CYS A 77 0.101 10.736 6.525 1.00 0.32 C ATOM 951 C CYS A 77 0.847 9.420 6.579 1.00 0.32 C ATOM 952 O CYS A 77 0.303 8.412 7.018 1.00 0.35 O ATOM 953 CB CYS A 77 -1.396 10.482 6.545 1.00 0.33 C ATOM 954 SG CYS A 77 -2.404 11.977 6.412 1.00 0.37 S ATOM 0 H CYS A 77 0.165 11.037 4.464 1.00 0.32 H new ATOM 0 HA CYS A 77 0.379 11.327 7.398 1.00 0.32 H new ATOM 0 HB2 CYS A 77 -1.650 9.812 5.724 1.00 0.33 H new ATOM 0 HB3 CYS A 77 -1.653 9.965 7.470 1.00 0.33 H new ATOM 0 HG CYS A 77 -3.660 11.649 6.338 1.00 0.37 H new ATOM 960 N TYR A 78 2.079 9.435 6.096 1.00 0.34 N ATOM 961 CA TYR A 78 2.918 8.241 6.042 1.00 0.38 C ATOM 962 C TYR A 78 2.970 7.527 7.396 1.00 0.41 C ATOM 963 O TYR A 78 3.172 6.316 7.456 1.00 0.43 O ATOM 964 CB TYR A 78 4.331 8.609 5.602 1.00 0.44 C ATOM 965 CG TYR A 78 4.386 9.749 4.606 1.00 0.42 C ATOM 966 CD1 TYR A 78 4.459 11.069 5.035 1.00 0.54 C ATOM 967 CD2 TYR A 78 4.370 9.507 3.239 1.00 0.55 C ATOM 968 CE1 TYR A 78 4.514 12.112 4.131 1.00 0.66 C ATOM 969 CE2 TYR A 78 4.425 10.544 2.328 1.00 0.66 C ATOM 970 CZ TYR A 78 4.497 11.844 2.778 1.00 0.66 C ATOM 971 OH TYR A 78 4.557 12.879 1.872 1.00 0.84 O ATOM 0 H TYR A 78 2.529 10.274 5.729 1.00 0.34 H new ATOM 0 HA TYR A 78 2.475 7.560 5.315 1.00 0.38 H new ATOM 0 HB2 TYR A 78 4.916 8.879 6.481 1.00 0.44 H new ATOM 0 HB3 TYR A 78 4.804 7.731 5.161 1.00 0.44 H new ATOM 0 HD1 TYR A 78 4.473 11.283 6.094 1.00 0.54 H new ATOM 0 HD2 TYR A 78 4.314 8.490 2.881 1.00 0.55 H new ATOM 0 HE1 TYR A 78 4.570 13.132 4.482 1.00 0.66 H new ATOM 0 HE2 TYR A 78 4.412 10.337 1.268 1.00 0.66 H new ATOM 0 HH TYR A 78 4.536 12.518 0.961 1.00 0.84 H new ATOM 981 N GLY A 79 2.787 8.282 8.476 1.00 0.43 N ATOM 982 CA GLY A 79 2.683 7.684 9.793 1.00 0.49 C ATOM 983 C GLY A 79 1.482 6.766 9.892 1.00 0.42 C ATOM 984 O GLY A 79 1.609 5.603 10.283 1.00 0.42 O ATOM 0 H GLY A 79 2.709 9.299 8.461 1.00 0.43 H new ATOM 0 HA2 GLY A 79 3.591 7.122 10.011 1.00 0.49 H new ATOM 0 HA3 GLY A 79 2.605 8.469 10.545 1.00 0.49 H new ATOM 988 N TYR A 80 0.316 7.288 9.519 1.00 0.38 N ATOM 989 CA TYR A 80 -0.897 6.483 9.436 1.00 0.36 C ATOM 990 C TYR A 80 -0.722 5.377 8.415 1.00 0.30 C ATOM 991 O TYR A 80 -1.169 4.257 8.621 1.00 0.32 O ATOM 992 CB TYR A 80 -2.103 7.338 9.040 1.00 0.40 C ATOM 993 CG TYR A 80 -2.758 8.051 10.193 1.00 0.56 C ATOM 994 CD1 TYR A 80 -3.624 7.372 11.037 1.00 0.96 C ATOM 995 CD2 TYR A 80 -2.523 9.398 10.433 1.00 1.06 C ATOM 996 CE1 TYR A 80 -4.238 8.012 12.091 1.00 1.28 C ATOM 997 CE2 TYR A 80 -3.132 10.047 11.488 1.00 1.34 C ATOM 998 CZ TYR A 80 -3.989 9.348 12.314 1.00 1.29 C ATOM 999 OH TYR A 80 -4.595 9.984 13.370 1.00 1.70 O ATOM 0 H TYR A 80 0.187 8.268 9.269 1.00 0.38 H new ATOM 0 HA TYR A 80 -1.076 6.054 10.422 1.00 0.36 H new ATOM 0 HB2 TYR A 80 -1.785 8.076 8.304 1.00 0.40 H new ATOM 0 HB3 TYR A 80 -2.842 6.701 8.554 1.00 0.40 H new ATOM 0 HD1 TYR A 80 -3.820 6.324 10.865 1.00 0.96 H new ATOM 0 HD2 TYR A 80 -1.854 9.946 9.785 1.00 1.06 H new ATOM 0 HE1 TYR A 80 -4.911 7.469 12.739 1.00 1.28 H new ATOM 0 HE2 TYR A 80 -2.939 11.095 11.666 1.00 1.34 H new ATOM 0 HH TYR A 80 -4.315 10.923 13.391 1.00 1.70 H new ATOM 1009 N ALA A 81 -0.064 5.713 7.314 1.00 0.28 N ATOM 1010 CA ALA A 81 0.191 4.765 6.242 1.00 0.28 C ATOM 1011 C ALA A 81 0.953 3.550 6.751 1.00 0.29 C ATOM 1012 O ALA A 81 0.561 2.419 6.498 1.00 0.33 O ATOM 1013 CB ALA A 81 0.958 5.441 5.124 1.00 0.31 C ATOM 0 H ALA A 81 0.306 6.647 7.140 1.00 0.28 H new ATOM 0 HA ALA A 81 -0.768 4.419 5.857 1.00 0.28 H new ATOM 0 HB1 ALA A 81 1.145 4.723 4.325 1.00 0.31 H new ATOM 0 HB2 ALA A 81 0.374 6.274 4.734 1.00 0.31 H new ATOM 0 HB3 ALA A 81 1.908 5.812 5.507 1.00 0.31 H new ATOM 1019 N LEU A 82 2.031 3.792 7.482 1.00 0.30 N ATOM 1020 CA LEU A 82 2.834 2.713 8.036 1.00 0.34 C ATOM 1021 C LEU A 82 1.981 1.858 8.972 1.00 0.32 C ATOM 1022 O LEU A 82 2.017 0.631 8.904 1.00 0.37 O ATOM 1023 CB LEU A 82 4.066 3.294 8.762 1.00 0.42 C ATOM 1024 CG LEU A 82 5.165 2.295 9.173 1.00 0.49 C ATOM 1025 CD1 LEU A 82 4.754 1.481 10.381 1.00 0.49 C ATOM 1026 CD2 LEU A 82 5.515 1.370 8.021 1.00 0.52 C ATOM 0 H LEU A 82 2.370 4.728 7.705 1.00 0.30 H new ATOM 0 HA LEU A 82 3.192 2.072 7.230 1.00 0.34 H new ATOM 0 HB2 LEU A 82 4.516 4.048 8.117 1.00 0.42 H new ATOM 0 HB3 LEU A 82 3.721 3.808 9.659 1.00 0.42 H new ATOM 0 HG LEU A 82 6.047 2.878 9.439 1.00 0.49 H new ATOM 0 HD11 LEU A 82 5.554 0.788 10.642 1.00 0.49 H new ATOM 0 HD12 LEU A 82 4.564 2.148 11.222 1.00 0.49 H new ATOM 0 HD13 LEU A 82 3.848 0.920 10.151 1.00 0.49 H new ATOM 0 HD21 LEU A 82 6.293 0.675 8.336 1.00 0.52 H new ATOM 0 HD22 LEU A 82 4.629 0.811 7.721 1.00 0.52 H new ATOM 0 HD23 LEU A 82 5.875 1.959 7.178 1.00 0.52 H new ATOM 1038 N ASN A 83 1.193 2.509 9.821 1.00 0.32 N ATOM 1039 CA ASN A 83 0.330 1.796 10.765 1.00 0.39 C ATOM 1040 C ASN A 83 -0.737 0.987 10.034 1.00 0.38 C ATOM 1041 O ASN A 83 -0.972 -0.185 10.342 1.00 0.42 O ATOM 1042 CB ASN A 83 -0.350 2.772 11.732 1.00 0.47 C ATOM 1043 CG ASN A 83 0.615 3.466 12.678 1.00 1.25 C ATOM 1044 OD1 ASN A 83 1.669 2.773 13.086 1.00 1.86 O flip ATOM 1045 ND2 ASN A 83 0.404 4.618 13.054 1.00 2.09 N flip ATOM 0 H ASN A 83 1.132 3.526 9.877 1.00 0.32 H new ATOM 0 HA ASN A 83 0.966 1.115 11.331 1.00 0.39 H new ATOM 0 HB2 ASN A 83 -0.886 3.526 11.156 1.00 0.47 H new ATOM 0 HB3 ASN A 83 -1.093 2.231 12.318 1.00 0.47 H new ATOM 0 HD21 ASN A 83 -0.418 5.121 12.719 1.00 2.09 H new ATOM 0 HD22 ASN A 83 1.051 5.070 13.700 1.00 2.09 H new ATOM 1052 N ASP A 84 -1.367 1.618 9.057 1.00 0.39 N ATOM 1053 CA ASP A 84 -2.466 1.012 8.317 1.00 0.45 C ATOM 1054 C ASP A 84 -1.951 -0.110 7.417 1.00 0.42 C ATOM 1055 O ASP A 84 -2.592 -1.152 7.274 1.00 0.44 O ATOM 1056 CB ASP A 84 -3.177 2.088 7.494 1.00 0.55 C ATOM 1057 CG ASP A 84 -4.619 1.742 7.181 1.00 0.74 C ATOM 1058 OD1 ASP A 84 -5.276 1.109 8.032 1.00 1.10 O ATOM 1059 OD2 ASP A 84 -5.120 2.151 6.115 1.00 1.19 O ATOM 0 H ASP A 84 -1.133 2.563 8.753 1.00 0.39 H new ATOM 0 HA ASP A 84 -3.177 0.576 9.019 1.00 0.45 H new ATOM 0 HB2 ASP A 84 -3.146 3.032 8.038 1.00 0.55 H new ATOM 0 HB3 ASP A 84 -2.635 2.240 6.560 1.00 0.55 H new ATOM 1064 N ALA A 85 -0.773 0.096 6.835 1.00 0.41 N ATOM 1065 CA ALA A 85 -0.134 -0.926 6.013 1.00 0.43 C ATOM 1066 C ALA A 85 0.325 -2.091 6.878 1.00 0.42 C ATOM 1067 O ALA A 85 0.304 -3.240 6.447 1.00 0.42 O ATOM 1068 CB ALA A 85 1.040 -0.344 5.241 1.00 0.48 C ATOM 0 H ALA A 85 -0.241 0.963 6.918 1.00 0.41 H new ATOM 0 HA ALA A 85 -0.866 -1.292 5.294 1.00 0.43 H new ATOM 0 HB1 ALA A 85 1.500 -1.125 4.636 1.00 0.48 H new ATOM 0 HB2 ALA A 85 0.687 0.458 4.592 1.00 0.48 H new ATOM 0 HB3 ALA A 85 1.775 0.053 5.941 1.00 0.48 H new ATOM 1074 N THR A 86 0.742 -1.791 8.102 1.00 0.42 N ATOM 1075 CA THR A 86 1.077 -2.828 9.065 1.00 0.44 C ATOM 1076 C THR A 86 -0.144 -3.701 9.328 1.00 0.43 C ATOM 1077 O THR A 86 -0.044 -4.926 9.425 1.00 0.44 O ATOM 1078 CB THR A 86 1.573 -2.218 10.391 1.00 0.47 C ATOM 1079 OG1 THR A 86 2.811 -1.533 10.175 1.00 0.47 O ATOM 1080 CG2 THR A 86 1.756 -3.277 11.469 1.00 0.55 C ATOM 0 H THR A 86 0.856 -0.839 8.449 1.00 0.42 H new ATOM 0 HA THR A 86 1.880 -3.434 8.646 1.00 0.44 H new ATOM 0 HB THR A 86 0.814 -1.517 10.738 1.00 0.47 H new ATOM 0 HG1 THR A 86 2.657 -0.753 9.602 1.00 0.47 H new ATOM 0 HG21 THR A 86 2.106 -2.805 12.387 1.00 0.55 H new ATOM 0 HG22 THR A 86 0.804 -3.773 11.657 1.00 0.55 H new ATOM 0 HG23 THR A 86 2.489 -4.012 11.136 1.00 0.55 H new ATOM 1088 N ARG A 87 -1.303 -3.058 9.403 1.00 0.43 N ATOM 1089 CA ARG A 87 -2.551 -3.761 9.628 1.00 0.43 C ATOM 1090 C ARG A 87 -2.855 -4.690 8.460 1.00 0.39 C ATOM 1091 O ARG A 87 -3.435 -5.757 8.646 1.00 0.38 O ATOM 1092 CB ARG A 87 -3.696 -2.775 9.838 1.00 0.47 C ATOM 1093 CG ARG A 87 -4.962 -3.430 10.353 1.00 0.58 C ATOM 1094 CD ARG A 87 -4.676 -4.264 11.589 1.00 0.71 C ATOM 1095 NE ARG A 87 -4.090 -3.470 12.669 1.00 1.63 N ATOM 1096 CZ ARG A 87 -4.075 -3.851 13.944 1.00 2.24 C ATOM 1097 NH1 ARG A 87 -4.600 -5.018 14.299 1.00 2.10 N ATOM 1098 NH2 ARG A 87 -3.517 -3.070 14.860 1.00 3.28 N ATOM 0 H ARG A 87 -1.400 -2.047 9.310 1.00 0.43 H new ATOM 0 HA ARG A 87 -2.448 -4.362 10.532 1.00 0.43 H new ATOM 0 HB2 ARG A 87 -3.380 -2.006 10.543 1.00 0.47 H new ATOM 0 HB3 ARG A 87 -3.912 -2.273 8.895 1.00 0.47 H new ATOM 0 HG2 ARG A 87 -5.702 -2.665 10.589 1.00 0.58 H new ATOM 0 HG3 ARG A 87 -5.392 -4.061 9.575 1.00 0.58 H new ATOM 0 HD2 ARG A 87 -5.601 -4.722 11.938 1.00 0.71 H new ATOM 0 HD3 ARG A 87 -3.997 -5.076 11.328 1.00 0.71 H new ATOM 0 HE ARG A 87 -3.668 -2.572 12.431 1.00 1.63 H new ATOM 0 HH11 ARG A 87 -5.016 -5.626 13.593 1.00 2.10 H new ATOM 0 HH12 ARG A 87 -4.587 -5.307 15.277 1.00 2.10 H new ATOM 0 HH21 ARG A 87 -3.101 -2.180 14.586 1.00 3.28 H new ATOM 0 HH22 ARG A 87 -3.504 -3.360 15.838 1.00 3.28 H new ATOM 1112 N ALA A 88 -2.460 -4.283 7.261 1.00 0.39 N ATOM 1113 CA ALA A 88 -2.556 -5.159 6.103 1.00 0.38 C ATOM 1114 C ALA A 88 -1.669 -6.375 6.302 1.00 0.39 C ATOM 1115 O ALA A 88 -2.121 -7.498 6.150 1.00 0.41 O ATOM 1116 CB ALA A 88 -2.182 -4.437 4.819 1.00 0.42 C ATOM 0 H ALA A 88 -2.073 -3.359 7.066 1.00 0.39 H new ATOM 0 HA ALA A 88 -3.594 -5.479 6.008 1.00 0.38 H new ATOM 0 HB1 ALA A 88 -2.266 -5.124 3.977 1.00 0.42 H new ATOM 0 HB2 ALA A 88 -2.855 -3.593 4.667 1.00 0.42 H new ATOM 0 HB3 ALA A 88 -1.156 -4.075 4.891 1.00 0.42 H new ATOM 1122 N ILE A 89 -0.413 -6.140 6.698 1.00 0.42 N ATOM 1123 CA ILE A 89 0.526 -7.229 6.988 1.00 0.47 C ATOM 1124 C ILE A 89 0.039 -8.079 8.178 1.00 0.47 C ATOM 1125 O ILE A 89 0.642 -9.095 8.527 1.00 0.59 O ATOM 1126 CB ILE A 89 1.953 -6.706 7.302 1.00 0.60 C ATOM 1127 CG1 ILE A 89 2.408 -5.634 6.298 1.00 0.73 C ATOM 1128 CG2 ILE A 89 2.941 -7.865 7.291 1.00 0.66 C ATOM 1129 CD1 ILE A 89 2.624 -6.141 4.899 1.00 1.15 C ATOM 0 H ILE A 89 -0.024 -5.206 6.825 1.00 0.42 H new ATOM 0 HA ILE A 89 0.568 -7.841 6.087 1.00 0.47 H new ATOM 0 HB ILE A 89 1.924 -6.247 8.290 1.00 0.60 H new ATOM 0 HG12 ILE A 89 1.662 -4.839 6.272 1.00 0.73 H new ATOM 0 HG13 ILE A 89 3.336 -5.189 6.657 1.00 0.73 H new ATOM 0 HG21 ILE A 89 3.941 -7.493 7.512 1.00 0.66 H new ATOM 0 HG22 ILE A 89 2.652 -8.597 8.045 1.00 0.66 H new ATOM 0 HG23 ILE A 89 2.938 -8.336 6.308 1.00 0.66 H new ATOM 0 HD11 ILE A 89 2.943 -5.318 4.259 1.00 1.15 H new ATOM 0 HD12 ILE A 89 3.393 -6.914 4.907 1.00 1.15 H new ATOM 0 HD13 ILE A 89 1.693 -6.559 4.516 1.00 1.15 H new ATOM 1141 N GLU A 90 -1.035 -7.650 8.823 1.00 0.42 N ATOM 1142 CA GLU A 90 -1.684 -8.466 9.844 1.00 0.43 C ATOM 1143 C GLU A 90 -2.831 -9.278 9.240 1.00 0.40 C ATOM 1144 O GLU A 90 -3.027 -10.447 9.584 1.00 0.47 O ATOM 1145 CB GLU A 90 -2.227 -7.582 10.972 1.00 0.44 C ATOM 1146 CG GLU A 90 -1.165 -6.763 11.688 1.00 0.50 C ATOM 1147 CD GLU A 90 -0.167 -7.617 12.438 1.00 0.58 C ATOM 1148 OE1 GLU A 90 -0.582 -8.367 13.346 1.00 0.82 O ATOM 1149 OE2 GLU A 90 1.037 -7.549 12.117 1.00 0.73 O ATOM 0 H GLU A 90 -1.476 -6.745 8.660 1.00 0.42 H new ATOM 0 HA GLU A 90 -0.938 -9.150 10.249 1.00 0.43 H new ATOM 0 HB2 GLU A 90 -2.975 -6.905 10.560 1.00 0.44 H new ATOM 0 HB3 GLU A 90 -2.735 -8.213 11.701 1.00 0.44 H new ATOM 0 HG2 GLU A 90 -0.635 -6.149 10.960 1.00 0.50 H new ATOM 0 HG3 GLU A 90 -1.650 -6.081 12.387 1.00 0.50 H new ATOM 1156 N LEU A 91 -3.591 -8.652 8.349 1.00 0.38 N ATOM 1157 CA LEU A 91 -4.726 -9.307 7.695 1.00 0.39 C ATOM 1158 C LEU A 91 -4.222 -10.324 6.680 1.00 0.43 C ATOM 1159 O LEU A 91 -4.730 -11.443 6.582 1.00 0.51 O ATOM 1160 CB LEU A 91 -5.604 -8.273 6.991 1.00 0.36 C ATOM 1161 CG LEU A 91 -6.052 -7.090 7.849 1.00 0.37 C ATOM 1162 CD1 LEU A 91 -6.907 -6.151 7.027 1.00 0.39 C ATOM 1163 CD2 LEU A 91 -6.816 -7.556 9.077 1.00 0.45 C ATOM 0 H LEU A 91 -3.443 -7.685 8.059 1.00 0.38 H new ATOM 0 HA LEU A 91 -5.319 -9.816 8.455 1.00 0.39 H new ATOM 0 HB2 LEU A 91 -5.059 -7.887 6.129 1.00 0.36 H new ATOM 0 HB3 LEU A 91 -6.491 -8.777 6.608 1.00 0.36 H new ATOM 0 HG LEU A 91 -5.162 -6.562 8.190 1.00 0.37 H new ATOM 0 HD11 LEU A 91 -7.222 -5.311 7.645 1.00 0.39 H new ATOM 0 HD12 LEU A 91 -6.330 -5.781 6.179 1.00 0.39 H new ATOM 0 HD13 LEU A 91 -7.786 -6.683 6.663 1.00 0.39 H new ATOM 0 HD21 LEU A 91 -7.121 -6.691 9.666 1.00 0.45 H new ATOM 0 HD22 LEU A 91 -7.700 -8.113 8.766 1.00 0.45 H new ATOM 0 HD23 LEU A 91 -6.176 -8.199 9.681 1.00 0.45 H new ATOM 1175 N ASP A 92 -3.208 -9.917 5.944 1.00 0.46 N ATOM 1176 CA ASP A 92 -2.501 -10.776 5.044 1.00 0.53 C ATOM 1177 C ASP A 92 -1.158 -10.951 5.664 1.00 0.56 C ATOM 1178 O ASP A 92 -0.736 -10.120 6.448 1.00 0.82 O ATOM 1179 CB ASP A 92 -2.372 -10.178 3.631 1.00 0.66 C ATOM 1180 CG ASP A 92 -1.189 -9.232 3.471 1.00 1.77 C ATOM 1181 OD1 ASP A 92 -0.037 -9.723 3.402 1.00 2.32 O ATOM 1182 OD2 ASP A 92 -1.410 -8.009 3.378 1.00 2.34 O ATOM 0 H ASP A 92 -2.853 -8.961 5.962 1.00 0.46 H new ATOM 0 HA ASP A 92 -3.032 -11.718 4.906 1.00 0.53 H new ATOM 0 HB2 ASP A 92 -2.276 -10.990 2.910 1.00 0.66 H new ATOM 0 HB3 ASP A 92 -3.290 -9.642 3.388 1.00 0.66 H new ATOM 1187 N LYS A 93 -0.500 -12.020 5.386 1.00 0.48 N ATOM 1188 CA LYS A 93 0.787 -12.206 5.970 1.00 0.50 C ATOM 1189 C LYS A 93 1.824 -12.296 4.878 1.00 0.55 C ATOM 1190 O LYS A 93 2.962 -11.868 5.063 1.00 0.64 O ATOM 1191 CB LYS A 93 0.755 -13.418 6.881 1.00 0.55 C ATOM 1192 CG LYS A 93 1.967 -13.540 7.790 1.00 0.73 C ATOM 1193 CD LYS A 93 2.133 -12.302 8.657 1.00 1.22 C ATOM 1194 CE LYS A 93 1.011 -12.193 9.678 1.00 1.76 C ATOM 1195 NZ LYS A 93 1.045 -10.903 10.413 1.00 2.61 N ATOM 0 H LYS A 93 -0.820 -12.768 4.771 1.00 0.48 H new ATOM 0 HA LYS A 93 1.063 -11.355 6.593 1.00 0.50 H new ATOM 0 HB2 LYS A 93 -0.144 -13.374 7.495 1.00 0.55 H new ATOM 0 HB3 LYS A 93 0.680 -14.317 6.270 1.00 0.55 H new ATOM 0 HG2 LYS A 93 1.861 -14.420 8.425 1.00 0.73 H new ATOM 0 HG3 LYS A 93 2.863 -13.688 7.187 1.00 0.73 H new ATOM 0 HD2 LYS A 93 3.094 -12.340 9.171 1.00 1.22 H new ATOM 0 HD3 LYS A 93 2.143 -11.412 8.027 1.00 1.22 H new ATOM 0 HE2 LYS A 93 0.051 -12.296 9.173 1.00 1.76 H new ATOM 0 HE3 LYS A 93 1.087 -13.016 10.388 1.00 1.76 H new ATOM 0 HZ1 LYS A 93 0.273 -10.880 11.110 1.00 2.61 H new ATOM 0 HZ2 LYS A 93 1.957 -10.807 10.904 1.00 2.61 H new ATOM 0 HZ3 LYS A 93 0.929 -10.118 9.741 1.00 2.61 H new ATOM 1209 N LYS A 94 1.436 -12.856 3.738 1.00 0.55 N ATOM 1210 CA LYS A 94 2.228 -12.703 2.536 1.00 0.61 C ATOM 1211 C LYS A 94 1.413 -12.019 1.442 1.00 0.60 C ATOM 1212 O LYS A 94 0.584 -12.646 0.778 1.00 0.69 O ATOM 1213 CB LYS A 94 2.744 -14.056 2.039 1.00 0.76 C ATOM 1214 CG LYS A 94 3.719 -14.730 2.994 1.00 0.96 C ATOM 1215 CD LYS A 94 4.314 -15.991 2.390 1.00 1.17 C ATOM 1216 CE LYS A 94 5.137 -15.681 1.149 1.00 1.41 C ATOM 1217 NZ LYS A 94 5.737 -16.907 0.566 1.00 2.11 N ATOM 0 H LYS A 94 0.588 -13.412 3.626 1.00 0.55 H new ATOM 0 HA LYS A 94 3.087 -12.078 2.780 1.00 0.61 H new ATOM 0 HB2 LYS A 94 1.895 -14.719 1.873 1.00 0.76 H new ATOM 0 HB3 LYS A 94 3.232 -13.916 1.075 1.00 0.76 H new ATOM 0 HG2 LYS A 94 4.519 -14.035 3.248 1.00 0.96 H new ATOM 0 HG3 LYS A 94 3.206 -14.978 3.923 1.00 0.96 H new ATOM 0 HD2 LYS A 94 4.942 -16.488 3.129 1.00 1.17 H new ATOM 0 HD3 LYS A 94 3.514 -16.685 2.133 1.00 1.17 H new ATOM 0 HE2 LYS A 94 4.505 -15.196 0.405 1.00 1.41 H new ATOM 0 HE3 LYS A 94 5.927 -14.975 1.404 1.00 1.41 H new ATOM 0 HZ1 LYS A 94 6.290 -16.655 -0.278 1.00 2.11 H new ATOM 0 HZ2 LYS A 94 6.360 -17.356 1.267 1.00 2.11 H new ATOM 0 HZ3 LYS A 94 4.982 -17.570 0.299 1.00 2.11 H new ATOM 1231 N TYR A 95 1.658 -10.735 1.274 1.00 0.53 N ATOM 1232 CA TYR A 95 1.194 -9.979 0.119 1.00 0.58 C ATOM 1233 C TYR A 95 2.336 -9.096 -0.341 1.00 0.55 C ATOM 1234 O TYR A 95 2.742 -8.171 0.362 1.00 0.55 O ATOM 1235 CB TYR A 95 -0.052 -9.150 0.471 1.00 0.63 C ATOM 1236 CG TYR A 95 -0.621 -8.294 -0.651 1.00 0.81 C ATOM 1237 CD1 TYR A 95 -0.413 -8.605 -1.990 1.00 0.99 C ATOM 1238 CD2 TYR A 95 -1.377 -7.165 -0.357 1.00 0.91 C ATOM 1239 CE1 TYR A 95 -0.938 -7.813 -2.997 1.00 1.19 C ATOM 1240 CE2 TYR A 95 -1.903 -6.369 -1.355 1.00 1.12 C ATOM 1241 CZ TYR A 95 -1.683 -6.697 -2.674 1.00 1.23 C ATOM 1242 OH TYR A 95 -2.204 -5.904 -3.678 1.00 1.46 O ATOM 0 H TYR A 95 2.191 -10.177 1.941 1.00 0.53 H new ATOM 0 HA TYR A 95 0.901 -10.654 -0.685 1.00 0.58 H new ATOM 0 HB2 TYR A 95 -0.832 -9.830 0.814 1.00 0.63 H new ATOM 0 HB3 TYR A 95 0.194 -8.499 1.310 1.00 0.63 H new ATOM 0 HD1 TYR A 95 0.167 -9.478 -2.249 1.00 0.99 H new ATOM 0 HD2 TYR A 95 -1.557 -6.905 0.676 1.00 0.91 H new ATOM 0 HE1 TYR A 95 -0.765 -8.068 -4.032 1.00 1.19 H new ATOM 0 HE2 TYR A 95 -2.484 -5.494 -1.102 1.00 1.12 H new ATOM 0 HH TYR A 95 -2.703 -5.160 -3.281 1.00 1.46 H new ATOM 1252 N ILE A 96 2.867 -9.402 -1.510 1.00 0.56 N ATOM 1253 CA ILE A 96 4.075 -8.759 -1.998 1.00 0.55 C ATOM 1254 C ILE A 96 3.888 -7.259 -2.164 1.00 0.49 C ATOM 1255 O ILE A 96 4.758 -6.469 -1.796 1.00 0.45 O ATOM 1256 CB ILE A 96 4.532 -9.389 -3.327 1.00 0.64 C ATOM 1257 CG1 ILE A 96 4.807 -10.877 -3.125 1.00 0.87 C ATOM 1258 CG2 ILE A 96 5.769 -8.692 -3.860 1.00 0.59 C ATOM 1259 CD1 ILE A 96 5.766 -11.158 -1.989 1.00 0.83 C ATOM 0 H ILE A 96 2.477 -10.098 -2.145 1.00 0.56 H new ATOM 0 HA ILE A 96 4.850 -8.918 -1.248 1.00 0.55 H new ATOM 0 HB ILE A 96 3.735 -9.268 -4.061 1.00 0.64 H new ATOM 0 HG12 ILE A 96 3.865 -11.391 -2.932 1.00 0.87 H new ATOM 0 HG13 ILE A 96 5.214 -11.293 -4.047 1.00 0.87 H new ATOM 0 HG21 ILE A 96 6.072 -9.155 -4.799 1.00 0.59 H new ATOM 0 HG22 ILE A 96 5.548 -7.638 -4.030 1.00 0.59 H new ATOM 0 HG23 ILE A 96 6.578 -8.781 -3.135 1.00 0.59 H new ATOM 0 HD11 ILE A 96 5.918 -12.234 -1.899 1.00 0.83 H new ATOM 0 HD12 ILE A 96 6.721 -10.672 -2.190 1.00 0.83 H new ATOM 0 HD13 ILE A 96 5.351 -10.771 -1.058 1.00 0.83 H new ATOM 1271 N LYS A 97 2.747 -6.866 -2.696 1.00 0.54 N ATOM 1272 CA LYS A 97 2.451 -5.457 -2.867 1.00 0.55 C ATOM 1273 C LYS A 97 2.047 -4.841 -1.527 1.00 0.50 C ATOM 1274 O LYS A 97 2.098 -3.625 -1.350 1.00 0.51 O ATOM 1275 CB LYS A 97 1.350 -5.275 -3.906 1.00 0.71 C ATOM 1276 CG LYS A 97 1.151 -3.838 -4.344 1.00 1.28 C ATOM 1277 CD LYS A 97 0.038 -3.735 -5.364 1.00 1.65 C ATOM 1278 CE LYS A 97 -0.219 -2.298 -5.764 1.00 1.73 C ATOM 1279 NZ LYS A 97 -1.464 -2.171 -6.562 1.00 1.59 N ATOM 0 H LYS A 97 2.013 -7.498 -3.016 1.00 0.54 H new ATOM 0 HA LYS A 97 3.344 -4.944 -3.224 1.00 0.55 H new ATOM 0 HB2 LYS A 97 1.585 -5.882 -4.780 1.00 0.71 H new ATOM 0 HB3 LYS A 97 0.413 -5.653 -3.498 1.00 0.71 H new ATOM 0 HG2 LYS A 97 0.915 -3.219 -3.478 1.00 1.28 H new ATOM 0 HG3 LYS A 97 2.077 -3.452 -4.770 1.00 1.28 H new ATOM 0 HD2 LYS A 97 0.298 -4.318 -6.247 1.00 1.65 H new ATOM 0 HD3 LYS A 97 -0.874 -4.168 -4.953 1.00 1.65 H new ATOM 0 HE2 LYS A 97 -0.293 -1.678 -4.871 1.00 1.73 H new ATOM 0 HE3 LYS A 97 0.625 -1.923 -6.343 1.00 1.73 H new ATOM 0 HZ1 LYS A 97 -1.611 -1.174 -6.820 1.00 1.59 H new ATOM 0 HZ2 LYS A 97 -1.382 -2.744 -7.426 1.00 1.59 H new ATOM 0 HZ3 LYS A 97 -2.272 -2.506 -6.000 1.00 1.59 H new ATOM 1293 N GLY A 98 1.679 -5.697 -0.579 1.00 0.51 N ATOM 1294 CA GLY A 98 1.331 -5.238 0.754 1.00 0.52 C ATOM 1295 C GLY A 98 2.563 -4.809 1.519 1.00 0.43 C ATOM 1296 O GLY A 98 2.605 -3.713 2.079 1.00 0.48 O ATOM 0 H GLY A 98 1.615 -6.706 -0.711 1.00 0.51 H new ATOM 0 HA2 GLY A 98 0.633 -4.404 0.684 1.00 0.52 H new ATOM 0 HA3 GLY A 98 0.822 -6.035 1.295 1.00 0.52 H new ATOM 1300 N TYR A 99 3.568 -5.685 1.544 1.00 0.35 N ATOM 1301 CA TYR A 99 4.892 -5.326 2.047 1.00 0.29 C ATOM 1302 C TYR A 99 5.354 -4.026 1.397 1.00 0.31 C ATOM 1303 O TYR A 99 5.818 -3.112 2.064 1.00 0.32 O ATOM 1304 CB TYR A 99 5.936 -6.398 1.701 1.00 0.30 C ATOM 1305 CG TYR A 99 5.680 -7.790 2.238 1.00 0.38 C ATOM 1306 CD1 TYR A 99 5.248 -8.009 3.542 1.00 0.64 C ATOM 1307 CD2 TYR A 99 5.905 -8.896 1.429 1.00 0.98 C ATOM 1308 CE1 TYR A 99 5.046 -9.290 4.015 1.00 0.71 C ATOM 1309 CE2 TYR A 99 5.710 -10.177 1.897 1.00 1.11 C ATOM 1310 CZ TYR A 99 5.281 -10.369 3.189 1.00 0.72 C ATOM 1311 OH TYR A 99 5.097 -11.645 3.660 1.00 0.92 O ATOM 0 H TYR A 99 3.489 -6.649 1.221 1.00 0.35 H new ATOM 0 HA TYR A 99 4.809 -5.227 3.129 1.00 0.29 H new ATOM 0 HB2 TYR A 99 6.014 -6.460 0.616 1.00 0.30 H new ATOM 0 HB3 TYR A 99 6.905 -6.063 2.071 1.00 0.30 H new ATOM 0 HD1 TYR A 99 5.068 -7.166 4.193 1.00 0.64 H new ATOM 0 HD2 TYR A 99 6.240 -8.749 0.413 1.00 0.98 H new ATOM 0 HE1 TYR A 99 4.705 -9.447 5.028 1.00 0.71 H new ATOM 0 HE2 TYR A 99 5.893 -11.025 1.253 1.00 1.11 H new ATOM 0 HH TYR A 99 4.453 -11.631 4.398 1.00 0.92 H new ATOM 1321 N TYR A 100 5.205 -3.972 0.075 1.00 0.34 N ATOM 1322 CA TYR A 100 5.647 -2.838 -0.734 1.00 0.37 C ATOM 1323 C TYR A 100 5.002 -1.529 -0.250 1.00 0.39 C ATOM 1324 O TYR A 100 5.631 -0.470 -0.277 1.00 0.42 O ATOM 1325 CB TYR A 100 5.299 -3.121 -2.204 1.00 0.42 C ATOM 1326 CG TYR A 100 5.979 -2.226 -3.219 1.00 0.43 C ATOM 1327 CD1 TYR A 100 5.454 -0.980 -3.525 1.00 0.51 C ATOM 1328 CD2 TYR A 100 7.132 -2.640 -3.890 1.00 0.46 C ATOM 1329 CE1 TYR A 100 6.053 -0.166 -4.461 1.00 0.60 C ATOM 1330 CE2 TYR A 100 7.738 -1.827 -4.839 1.00 0.55 C ATOM 1331 CZ TYR A 100 7.187 -0.592 -5.115 1.00 0.60 C ATOM 1332 OH TYR A 100 7.761 0.219 -6.052 1.00 0.73 O ATOM 0 H TYR A 100 4.772 -4.718 -0.468 1.00 0.34 H new ATOM 0 HA TYR A 100 6.725 -2.714 -0.634 1.00 0.37 H new ATOM 0 HB2 TYR A 100 5.557 -4.156 -2.428 1.00 0.42 H new ATOM 0 HB3 TYR A 100 4.220 -3.028 -2.328 1.00 0.42 H new ATOM 0 HD1 TYR A 100 4.561 -0.642 -3.021 1.00 0.51 H new ATOM 0 HD2 TYR A 100 7.559 -3.607 -3.667 1.00 0.46 H new ATOM 0 HE1 TYR A 100 5.634 0.805 -4.681 1.00 0.60 H new ATOM 0 HE2 TYR A 100 8.628 -2.157 -5.354 1.00 0.55 H new ATOM 0 HH TYR A 100 7.578 -0.135 -6.947 1.00 0.73 H new ATOM 1342 N ARG A 101 3.752 -1.610 0.208 1.00 0.41 N ATOM 1343 CA ARG A 101 3.060 -0.445 0.762 1.00 0.46 C ATOM 1344 C ARG A 101 3.683 -0.024 2.088 1.00 0.43 C ATOM 1345 O ARG A 101 3.943 1.159 2.328 1.00 0.46 O ATOM 1346 CB ARG A 101 1.571 -0.742 0.967 1.00 0.53 C ATOM 1347 CG ARG A 101 0.791 -0.874 -0.326 1.00 0.82 C ATOM 1348 CD ARG A 101 0.891 0.396 -1.148 1.00 1.06 C ATOM 1349 NE ARG A 101 0.132 0.314 -2.390 1.00 1.18 N ATOM 1350 CZ ARG A 101 0.394 1.041 -3.472 1.00 1.58 C ATOM 1351 NH1 ARG A 101 1.449 1.849 -3.494 1.00 2.34 N ATOM 1352 NH2 ARG A 101 -0.392 0.948 -4.535 1.00 1.89 N ATOM 0 H ARG A 101 3.199 -2.467 0.207 1.00 0.41 H new ATOM 0 HA ARG A 101 3.163 0.371 0.047 1.00 0.46 H new ATOM 0 HB2 ARG A 101 1.469 -1.665 1.538 1.00 0.53 H new ATOM 0 HB3 ARG A 101 1.130 0.054 1.567 1.00 0.53 H new ATOM 0 HG2 ARG A 101 1.174 -1.716 -0.902 1.00 0.82 H new ATOM 0 HG3 ARG A 101 -0.255 -1.088 -0.105 1.00 0.82 H new ATOM 0 HD2 ARG A 101 0.528 1.237 -0.558 1.00 1.06 H new ATOM 0 HD3 ARG A 101 1.938 0.596 -1.377 1.00 1.06 H new ATOM 0 HE ARG A 101 -0.648 -0.342 -2.431 1.00 1.18 H new ATOM 0 HH11 ARG A 101 2.060 1.912 -2.680 1.00 2.34 H new ATOM 0 HH12 ARG A 101 1.648 2.406 -4.325 1.00 2.34 H new ATOM 0 HH21 ARG A 101 -1.196 0.320 -4.522 1.00 1.89 H new ATOM 0 HH22 ARG A 101 -0.193 1.505 -5.366 1.00 1.89 H new ATOM 1366 N ARG A 102 3.928 -1.008 2.940 1.00 0.41 N ATOM 1367 CA ARG A 102 4.537 -0.776 4.243 1.00 0.43 C ATOM 1368 C ARG A 102 5.951 -0.226 4.065 1.00 0.37 C ATOM 1369 O ARG A 102 6.362 0.720 4.742 1.00 0.38 O ATOM 1370 CB ARG A 102 4.554 -2.089 5.031 1.00 0.52 C ATOM 1371 CG ARG A 102 4.997 -1.950 6.474 1.00 0.87 C ATOM 1372 CD ARG A 102 4.949 -3.292 7.182 1.00 1.12 C ATOM 1373 NE ARG A 102 5.895 -4.246 6.610 1.00 1.87 N ATOM 1374 CZ ARG A 102 6.110 -5.466 7.098 1.00 2.58 C ATOM 1375 NH1 ARG A 102 5.492 -5.865 8.203 1.00 2.78 N ATOM 1376 NH2 ARG A 102 6.957 -6.281 6.487 1.00 3.57 N ATOM 0 H ARG A 102 3.712 -1.986 2.750 1.00 0.41 H new ATOM 0 HA ARG A 102 3.956 -0.040 4.799 1.00 0.43 H new ATOM 0 HB2 ARG A 102 3.554 -2.523 5.011 1.00 0.52 H new ATOM 0 HB3 ARG A 102 5.217 -2.792 4.527 1.00 0.52 H new ATOM 0 HG2 ARG A 102 6.010 -1.550 6.512 1.00 0.87 H new ATOM 0 HG3 ARG A 102 4.353 -1.238 6.990 1.00 0.87 H new ATOM 0 HD2 ARG A 102 5.170 -3.152 8.240 1.00 1.12 H new ATOM 0 HD3 ARG A 102 3.940 -3.700 7.119 1.00 1.12 H new ATOM 0 HE ARG A 102 6.424 -3.960 5.786 1.00 1.87 H new ATOM 0 HH11 ARG A 102 4.848 -5.236 8.683 1.00 2.78 H new ATOM 0 HH12 ARG A 102 5.661 -6.801 8.572 1.00 2.78 H new ATOM 0 HH21 ARG A 102 7.443 -5.973 5.645 1.00 3.57 H new ATOM 0 HH22 ARG A 102 7.123 -7.216 6.859 1.00 3.57 H new ATOM 1390 N ALA A 103 6.671 -0.815 3.120 1.00 0.34 N ATOM 1391 CA ALA A 103 8.018 -0.390 2.771 1.00 0.32 C ATOM 1392 C ALA A 103 8.043 1.067 2.322 1.00 0.33 C ATOM 1393 O ALA A 103 8.978 1.808 2.633 1.00 0.35 O ATOM 1394 CB ALA A 103 8.568 -1.283 1.671 1.00 0.33 C ATOM 0 H ALA A 103 6.334 -1.606 2.571 1.00 0.34 H new ATOM 0 HA ALA A 103 8.643 -0.477 3.660 1.00 0.32 H new ATOM 0 HB1 ALA A 103 9.577 -0.962 1.412 1.00 0.33 H new ATOM 0 HB2 ALA A 103 8.594 -2.315 2.019 1.00 0.33 H new ATOM 0 HB3 ALA A 103 7.928 -1.213 0.791 1.00 0.33 H new ATOM 1400 N ALA A 104 7.000 1.478 1.608 1.00 0.33 N ATOM 1401 CA ALA A 104 6.916 2.827 1.079 1.00 0.35 C ATOM 1402 C ALA A 104 6.737 3.824 2.210 1.00 0.35 C ATOM 1403 O ALA A 104 7.260 4.940 2.158 1.00 0.38 O ATOM 1404 CB ALA A 104 5.774 2.938 0.081 1.00 0.39 C ATOM 0 H ALA A 104 6.198 0.889 1.383 1.00 0.33 H new ATOM 0 HA ALA A 104 7.846 3.056 0.559 1.00 0.35 H new ATOM 0 HB1 ALA A 104 5.726 3.956 -0.305 1.00 0.39 H new ATOM 0 HB2 ALA A 104 5.942 2.245 -0.743 1.00 0.39 H new ATOM 0 HB3 ALA A 104 4.834 2.693 0.575 1.00 0.39 H new ATOM 1410 N SER A 105 6.009 3.411 3.236 1.00 0.34 N ATOM 1411 CA SER A 105 5.807 4.245 4.405 1.00 0.36 C ATOM 1412 C SER A 105 7.105 4.343 5.205 1.00 0.34 C ATOM 1413 O SER A 105 7.473 5.417 5.672 1.00 0.33 O ATOM 1414 CB SER A 105 4.674 3.686 5.265 1.00 0.40 C ATOM 1415 OG SER A 105 3.570 3.294 4.461 1.00 0.64 O ATOM 0 H SER A 105 5.549 2.502 3.280 1.00 0.34 H new ATOM 0 HA SER A 105 5.524 5.248 4.085 1.00 0.36 H new ATOM 0 HB2 SER A 105 5.034 2.830 5.836 1.00 0.40 H new ATOM 0 HB3 SER A 105 4.354 4.439 5.986 1.00 0.40 H new ATOM 0 HG SER A 105 2.928 2.795 5.008 1.00 0.64 H new ATOM 1421 N ASN A 106 7.809 3.217 5.330 1.00 0.36 N ATOM 1422 CA ASN A 106 9.124 3.188 5.976 1.00 0.37 C ATOM 1423 C ASN A 106 10.083 4.136 5.266 1.00 0.36 C ATOM 1424 O ASN A 106 10.759 4.956 5.896 1.00 0.37 O ATOM 1425 CB ASN A 106 9.706 1.768 5.953 1.00 0.40 C ATOM 1426 CG ASN A 106 9.061 0.841 6.966 1.00 0.43 C ATOM 1427 OD1 ASN A 106 8.713 1.255 8.069 1.00 1.09 O ATOM 1428 ND2 ASN A 106 8.888 -0.417 6.592 1.00 1.32 N ATOM 0 H ASN A 106 7.490 2.309 4.991 1.00 0.36 H new ATOM 0 HA ASN A 106 8.999 3.506 7.011 1.00 0.37 H new ATOM 0 HB2 ASN A 106 9.582 1.348 4.955 1.00 0.40 H new ATOM 0 HB3 ASN A 106 10.777 1.818 6.147 1.00 0.40 H new ATOM 0 HD21 ASN A 106 8.451 -1.083 7.229 1.00 1.32 H new ATOM 0 HD22 ASN A 106 9.191 -0.720 5.667 1.00 1.32 H new ATOM 1435 N MET A 107 10.118 4.021 3.945 1.00 0.38 N ATOM 1436 CA MET A 107 10.976 4.851 3.109 1.00 0.40 C ATOM 1437 C MET A 107 10.647 6.326 3.315 1.00 0.40 C ATOM 1438 O MET A 107 11.536 7.172 3.413 1.00 0.45 O ATOM 1439 CB MET A 107 10.776 4.473 1.637 1.00 0.46 C ATOM 1440 CG MET A 107 12.069 4.307 0.854 1.00 0.44 C ATOM 1441 SD MET A 107 12.993 5.841 0.664 1.00 1.26 S ATOM 1442 CE MET A 107 14.384 5.255 -0.301 1.00 0.70 C ATOM 0 H MET A 107 9.553 3.351 3.423 1.00 0.38 H new ATOM 0 HA MET A 107 12.016 4.683 3.389 1.00 0.40 H new ATOM 0 HB2 MET A 107 10.212 3.542 1.586 1.00 0.46 H new ATOM 0 HB3 MET A 107 10.169 5.240 1.156 1.00 0.46 H new ATOM 0 HG2 MET A 107 12.698 3.573 1.357 1.00 0.44 H new ATOM 0 HG3 MET A 107 11.838 3.906 -0.133 1.00 0.44 H new ATOM 0 HE1 MET A 107 14.891 6.103 -0.760 1.00 0.70 H new ATOM 0 HE2 MET A 107 15.080 4.725 0.349 1.00 0.70 H new ATOM 0 HE3 MET A 107 14.028 4.580 -1.079 1.00 0.70 H new ATOM 1452 N ALA A 108 9.356 6.616 3.410 1.00 0.36 N ATOM 1453 CA ALA A 108 8.874 7.981 3.547 1.00 0.38 C ATOM 1454 C ALA A 108 9.130 8.539 4.945 1.00 0.39 C ATOM 1455 O ALA A 108 9.324 9.741 5.113 1.00 0.43 O ATOM 1456 CB ALA A 108 7.393 8.036 3.220 1.00 0.38 C ATOM 0 H ALA A 108 8.617 5.913 3.394 1.00 0.36 H new ATOM 0 HA ALA A 108 9.427 8.604 2.844 1.00 0.38 H new ATOM 0 HB1 ALA A 108 7.035 9.060 3.324 1.00 0.38 H new ATOM 0 HB2 ALA A 108 7.234 7.698 2.196 1.00 0.38 H new ATOM 0 HB3 ALA A 108 6.845 7.389 3.905 1.00 0.38 H new ATOM 1462 N LEU A 109 9.126 7.665 5.945 1.00 0.38 N ATOM 1463 CA LEU A 109 9.366 8.083 7.324 1.00 0.40 C ATOM 1464 C LEU A 109 10.843 8.379 7.557 1.00 0.43 C ATOM 1465 O LEU A 109 11.205 9.093 8.494 1.00 0.65 O ATOM 1466 CB LEU A 109 8.895 7.006 8.304 1.00 0.38 C ATOM 1467 CG LEU A 109 7.382 6.785 8.359 1.00 0.48 C ATOM 1468 CD1 LEU A 109 7.046 5.633 9.292 1.00 0.75 C ATOM 1469 CD2 LEU A 109 6.677 8.056 8.806 1.00 0.82 C ATOM 0 H LEU A 109 8.960 6.665 5.829 1.00 0.38 H new ATOM 0 HA LEU A 109 8.796 8.996 7.497 1.00 0.40 H new ATOM 0 HB2 LEU A 109 9.373 6.063 8.039 1.00 0.38 H new ATOM 0 HB3 LEU A 109 9.243 7.270 9.303 1.00 0.38 H new ATOM 0 HG LEU A 109 7.033 6.530 7.358 1.00 0.48 H new ATOM 0 HD11 LEU A 109 5.966 5.490 9.319 1.00 0.75 H new ATOM 0 HD12 LEU A 109 7.524 4.722 8.932 1.00 0.75 H new ATOM 0 HD13 LEU A 109 7.407 5.860 10.295 1.00 0.75 H new ATOM 0 HD21 LEU A 109 5.601 7.883 8.840 1.00 0.82 H new ATOM 0 HD22 LEU A 109 7.031 8.339 9.798 1.00 0.82 H new ATOM 0 HD23 LEU A 109 6.893 8.859 8.101 1.00 0.82 H new ATOM 1481 N GLY A 110 11.694 7.816 6.712 1.00 0.39 N ATOM 1482 CA GLY A 110 13.117 8.068 6.820 1.00 0.41 C ATOM 1483 C GLY A 110 13.881 6.857 7.306 1.00 0.39 C ATOM 1484 O GLY A 110 15.109 6.882 7.407 1.00 0.47 O ATOM 0 H GLY A 110 11.425 7.189 5.954 1.00 0.39 H new ATOM 0 HA2 GLY A 110 13.504 8.372 5.848 1.00 0.41 H new ATOM 0 HA3 GLY A 110 13.285 8.899 7.505 1.00 0.41 H new ATOM 1488 N LYS A 111 13.161 5.790 7.605 1.00 0.36 N ATOM 1489 CA LYS A 111 13.790 4.561 8.053 1.00 0.38 C ATOM 1490 C LYS A 111 14.148 3.686 6.854 1.00 0.30 C ATOM 1491 O LYS A 111 13.513 2.662 6.582 1.00 0.32 O ATOM 1492 CB LYS A 111 12.899 3.824 9.064 1.00 0.53 C ATOM 1493 CG LYS A 111 11.449 3.663 8.630 1.00 0.74 C ATOM 1494 CD LYS A 111 10.554 3.233 9.787 1.00 0.54 C ATOM 1495 CE LYS A 111 11.060 1.965 10.452 1.00 1.22 C ATOM 1496 NZ LYS A 111 10.155 1.499 11.533 1.00 1.73 N ATOM 0 H LYS A 111 12.144 5.750 7.546 1.00 0.36 H new ATOM 0 HA LYS A 111 14.717 4.806 8.571 1.00 0.38 H new ATOM 0 HB2 LYS A 111 13.321 2.836 9.248 1.00 0.53 H new ATOM 0 HB3 LYS A 111 12.924 4.363 10.011 1.00 0.53 H new ATOM 0 HG2 LYS A 111 11.086 4.606 8.221 1.00 0.74 H new ATOM 0 HG3 LYS A 111 11.389 2.924 7.831 1.00 0.74 H new ATOM 0 HD2 LYS A 111 10.503 4.034 10.524 1.00 0.54 H new ATOM 0 HD3 LYS A 111 9.540 3.072 9.421 1.00 0.54 H new ATOM 0 HE2 LYS A 111 11.163 1.180 9.703 1.00 1.22 H new ATOM 0 HE3 LYS A 111 12.053 2.144 10.864 1.00 1.22 H new ATOM 0 HZ1 LYS A 111 10.540 0.631 11.958 1.00 1.73 H new ATOM 0 HZ2 LYS A 111 10.076 2.237 12.262 1.00 1.73 H new ATOM 0 HZ3 LYS A 111 9.214 1.302 11.137 1.00 1.73 H new ATOM 1510 N PHE A 112 15.180 4.123 6.138 1.00 0.30 N ATOM 1511 CA PHE A 112 15.586 3.513 4.874 1.00 0.29 C ATOM 1512 C PHE A 112 15.987 2.054 5.042 1.00 0.30 C ATOM 1513 O PHE A 112 15.650 1.219 4.209 1.00 0.34 O ATOM 1514 CB PHE A 112 16.751 4.292 4.264 1.00 0.35 C ATOM 1515 CG PHE A 112 16.461 5.751 4.072 1.00 0.39 C ATOM 1516 CD1 PHE A 112 15.533 6.169 3.132 1.00 0.41 C ATOM 1517 CD2 PHE A 112 17.109 6.705 4.839 1.00 0.48 C ATOM 1518 CE1 PHE A 112 15.259 7.511 2.958 1.00 0.48 C ATOM 1519 CE2 PHE A 112 16.838 8.048 4.669 1.00 0.54 C ATOM 1520 CZ PHE A 112 15.912 8.452 3.728 1.00 0.53 C ATOM 0 H PHE A 112 15.761 4.913 6.419 1.00 0.30 H new ATOM 0 HA PHE A 112 14.723 3.549 4.209 1.00 0.29 H new ATOM 0 HB2 PHE A 112 17.625 4.185 4.907 1.00 0.35 H new ATOM 0 HB3 PHE A 112 17.008 3.851 3.301 1.00 0.35 H new ATOM 0 HD1 PHE A 112 15.018 5.437 2.528 1.00 0.41 H new ATOM 0 HD2 PHE A 112 17.834 6.395 5.578 1.00 0.48 H new ATOM 0 HE1 PHE A 112 14.535 7.824 2.220 1.00 0.48 H new ATOM 0 HE2 PHE A 112 17.350 8.783 5.272 1.00 0.54 H new ATOM 0 HZ PHE A 112 15.699 9.502 3.595 1.00 0.53 H new ATOM 1530 N ARG A 113 16.696 1.745 6.116 1.00 0.34 N ATOM 1531 CA ARG A 113 17.171 0.384 6.336 1.00 0.38 C ATOM 1532 C ARG A 113 16.003 -0.560 6.587 1.00 0.34 C ATOM 1533 O ARG A 113 16.036 -1.726 6.191 1.00 0.34 O ATOM 1534 CB ARG A 113 18.152 0.337 7.504 1.00 0.49 C ATOM 1535 CG ARG A 113 19.425 1.123 7.249 1.00 1.21 C ATOM 1536 CD ARG A 113 20.405 1.001 8.402 1.00 1.58 C ATOM 1537 NE ARG A 113 19.963 1.727 9.592 1.00 2.42 N ATOM 1538 CZ ARG A 113 20.721 1.887 10.679 1.00 3.14 C ATOM 1539 NH1 ARG A 113 21.910 1.303 10.750 1.00 3.25 N ATOM 1540 NH2 ARG A 113 20.286 2.613 11.701 1.00 4.15 N ATOM 0 H ARG A 113 16.955 2.410 6.845 1.00 0.34 H new ATOM 0 HA ARG A 113 17.691 0.057 5.435 1.00 0.38 H new ATOM 0 HB2 ARG A 113 17.663 0.729 8.396 1.00 0.49 H new ATOM 0 HB3 ARG A 113 18.410 -0.702 7.712 1.00 0.49 H new ATOM 0 HG2 ARG A 113 19.895 0.765 6.333 1.00 1.21 H new ATOM 0 HG3 ARG A 113 19.178 2.173 7.092 1.00 1.21 H new ATOM 0 HD2 ARG A 113 20.538 -0.052 8.651 1.00 1.58 H new ATOM 0 HD3 ARG A 113 21.378 1.380 8.089 1.00 1.58 H new ATOM 0 HE ARG A 113 19.027 2.132 9.591 1.00 2.42 H new ATOM 0 HH11 ARG A 113 22.245 0.732 9.974 1.00 3.25 H new ATOM 0 HH12 ARG A 113 22.489 1.425 11.581 1.00 3.25 H new ATOM 0 HH21 ARG A 113 19.367 3.053 11.659 1.00 4.15 H new ATOM 0 HH22 ARG A 113 20.871 2.731 12.528 1.00 4.15 H new ATOM 1554 N ALA A 114 14.963 -0.048 7.229 1.00 0.34 N ATOM 1555 CA ALA A 114 13.770 -0.837 7.477 1.00 0.34 C ATOM 1556 C ALA A 114 12.983 -1.010 6.186 1.00 0.28 C ATOM 1557 O ALA A 114 12.420 -2.073 5.929 1.00 0.30 O ATOM 1558 CB ALA A 114 12.911 -0.189 8.546 1.00 0.40 C ATOM 0 H ALA A 114 14.923 0.907 7.586 1.00 0.34 H new ATOM 0 HA ALA A 114 14.070 -1.821 7.838 1.00 0.34 H new ATOM 0 HB1 ALA A 114 12.022 -0.797 8.716 1.00 0.40 H new ATOM 0 HB2 ALA A 114 13.480 -0.111 9.472 1.00 0.40 H new ATOM 0 HB3 ALA A 114 12.612 0.807 8.219 1.00 0.40 H new ATOM 1564 N ALA A 115 12.970 0.038 5.369 1.00 0.26 N ATOM 1565 CA ALA A 115 12.323 -0.016 4.069 1.00 0.23 C ATOM 1566 C ALA A 115 13.059 -0.991 3.171 1.00 0.23 C ATOM 1567 O ALA A 115 12.445 -1.737 2.410 1.00 0.25 O ATOM 1568 CB ALA A 115 12.287 1.365 3.433 1.00 0.23 C ATOM 0 H ALA A 115 13.402 0.936 5.588 1.00 0.26 H new ATOM 0 HA ALA A 115 11.296 -0.358 4.200 1.00 0.23 H new ATOM 0 HB1 ALA A 115 11.799 1.305 2.460 1.00 0.23 H new ATOM 0 HB2 ALA A 115 11.731 2.047 4.076 1.00 0.23 H new ATOM 0 HB3 ALA A 115 13.305 1.734 3.306 1.00 0.23 H new ATOM 1574 N LEU A 116 14.383 -0.989 3.285 1.00 0.24 N ATOM 1575 CA LEU A 116 15.221 -1.910 2.539 1.00 0.28 C ATOM 1576 C LEU A 116 14.837 -3.340 2.839 1.00 0.29 C ATOM 1577 O LEU A 116 14.677 -4.137 1.933 1.00 0.30 O ATOM 1578 CB LEU A 116 16.697 -1.717 2.873 1.00 0.32 C ATOM 1579 CG LEU A 116 17.636 -2.557 2.009 1.00 0.40 C ATOM 1580 CD1 LEU A 116 17.482 -2.169 0.554 1.00 0.47 C ATOM 1581 CD2 LEU A 116 19.078 -2.408 2.456 1.00 0.49 C ATOM 0 H LEU A 116 14.899 -0.353 3.893 1.00 0.24 H new ATOM 0 HA LEU A 116 15.066 -1.699 1.481 1.00 0.28 H new ATOM 0 HB2 LEU A 116 16.953 -0.664 2.754 1.00 0.32 H new ATOM 0 HB3 LEU A 116 16.859 -1.968 3.921 1.00 0.32 H new ATOM 0 HG LEU A 116 17.364 -3.606 2.126 1.00 0.40 H new ATOM 0 HD11 LEU A 116 18.154 -2.772 -0.056 1.00 0.47 H new ATOM 0 HD12 LEU A 116 16.453 -2.341 0.238 1.00 0.47 H new ATOM 0 HD13 LEU A 116 17.728 -1.114 0.431 1.00 0.47 H new ATOM 0 HD21 LEU A 116 19.721 -3.018 1.821 1.00 0.49 H new ATOM 0 HD22 LEU A 116 19.377 -1.363 2.377 1.00 0.49 H new ATOM 0 HD23 LEU A 116 19.174 -2.736 3.491 1.00 0.49 H new ATOM 1593 N ARG A 117 14.676 -3.653 4.113 1.00 0.34 N ATOM 1594 CA ARG A 117 14.357 -5.010 4.531 1.00 0.40 C ATOM 1595 C ARG A 117 12.981 -5.427 4.030 1.00 0.34 C ATOM 1596 O ARG A 117 12.747 -6.600 3.735 1.00 0.35 O ATOM 1597 CB ARG A 117 14.421 -5.114 6.052 1.00 0.57 C ATOM 1598 CG ARG A 117 15.808 -4.839 6.596 1.00 0.70 C ATOM 1599 CD ARG A 117 15.824 -4.769 8.109 1.00 1.01 C ATOM 1600 NE ARG A 117 17.157 -4.439 8.606 1.00 1.90 N ATOM 1601 CZ ARG A 117 17.393 -3.661 9.660 1.00 2.55 C ATOM 1602 NH1 ARG A 117 16.386 -3.181 10.379 1.00 2.45 N ATOM 1603 NH2 ARG A 117 18.639 -3.366 10.004 1.00 3.56 N ATOM 0 H ARG A 117 14.761 -2.985 4.879 1.00 0.34 H new ATOM 0 HA ARG A 117 15.093 -5.686 4.095 1.00 0.40 H new ATOM 0 HB2 ARG A 117 13.716 -4.408 6.491 1.00 0.57 H new ATOM 0 HB3 ARG A 117 14.106 -6.111 6.358 1.00 0.57 H new ATOM 0 HG2 ARG A 117 16.489 -5.622 6.263 1.00 0.70 H new ATOM 0 HG3 ARG A 117 16.178 -3.899 6.186 1.00 0.70 H new ATOM 0 HD2 ARG A 117 15.110 -4.019 8.449 1.00 1.01 H new ATOM 0 HD3 ARG A 117 15.504 -5.725 8.524 1.00 1.01 H new ATOM 0 HE ARG A 117 17.960 -4.830 8.113 1.00 1.90 H new ATOM 0 HH11 ARG A 117 15.424 -3.408 10.125 1.00 2.45 H new ATOM 0 HH12 ARG A 117 16.574 -2.585 11.186 1.00 2.45 H new ATOM 0 HH21 ARG A 117 19.419 -3.735 9.461 1.00 3.56 H new ATOM 0 HH22 ARG A 117 18.817 -2.770 10.812 1.00 3.56 H new ATOM 1617 N ASP A 118 12.083 -4.463 3.912 1.00 0.33 N ATOM 1618 CA ASP A 118 10.728 -4.744 3.469 1.00 0.33 C ATOM 1619 C ASP A 118 10.692 -4.916 1.948 1.00 0.28 C ATOM 1620 O ASP A 118 10.115 -5.879 1.437 1.00 0.31 O ATOM 1621 CB ASP A 118 9.785 -3.632 3.923 1.00 0.40 C ATOM 1622 CG ASP A 118 8.422 -4.159 4.327 1.00 0.63 C ATOM 1623 OD1 ASP A 118 8.233 -5.396 4.334 1.00 0.77 O ATOM 1624 OD2 ASP A 118 7.547 -3.344 4.678 1.00 1.06 O ATOM 0 H ASP A 118 12.267 -3.481 4.116 1.00 0.33 H new ATOM 0 HA ASP A 118 10.392 -5.677 3.920 1.00 0.33 H new ATOM 0 HB2 ASP A 118 10.231 -3.102 4.765 1.00 0.40 H new ATOM 0 HB3 ASP A 118 9.667 -2.908 3.117 1.00 0.40 H new ATOM 1629 N TYR A 119 11.345 -3.998 1.230 1.00 0.24 N ATOM 1630 CA TYR A 119 11.496 -4.122 -0.224 1.00 0.26 C ATOM 1631 C TYR A 119 12.321 -5.354 -0.565 1.00 0.28 C ATOM 1632 O TYR A 119 12.106 -5.996 -1.595 1.00 0.33 O ATOM 1633 CB TYR A 119 12.176 -2.888 -0.827 1.00 0.28 C ATOM 1634 CG TYR A 119 11.287 -1.667 -0.946 1.00 0.33 C ATOM 1635 CD1 TYR A 119 10.158 -1.680 -1.756 1.00 0.38 C ATOM 1636 CD2 TYR A 119 11.591 -0.497 -0.264 1.00 0.38 C ATOM 1637 CE1 TYR A 119 9.355 -0.560 -1.877 1.00 0.46 C ATOM 1638 CE2 TYR A 119 10.795 0.627 -0.382 1.00 0.47 C ATOM 1639 CZ TYR A 119 9.680 0.592 -1.190 1.00 0.50 C ATOM 1640 OH TYR A 119 8.890 1.712 -1.312 1.00 0.60 O ATOM 0 H TYR A 119 11.776 -3.164 1.629 1.00 0.24 H new ATOM 0 HA TYR A 119 10.496 -4.213 -0.647 1.00 0.26 H new ATOM 0 HB2 TYR A 119 13.041 -2.632 -0.215 1.00 0.28 H new ATOM 0 HB3 TYR A 119 12.551 -3.145 -1.818 1.00 0.28 H new ATOM 0 HD1 TYR A 119 9.904 -2.578 -2.299 1.00 0.38 H new ATOM 0 HD2 TYR A 119 12.465 -0.464 0.370 1.00 0.38 H new ATOM 0 HE1 TYR A 119 8.478 -0.587 -2.506 1.00 0.46 H new ATOM 0 HE2 TYR A 119 11.046 1.529 0.157 1.00 0.47 H new ATOM 0 HH TYR A 119 7.964 1.442 -1.485 1.00 0.60 H new ATOM 1650 N GLU A 120 13.266 -5.670 0.309 1.00 0.28 N ATOM 1651 CA GLU A 120 14.128 -6.826 0.141 1.00 0.34 C ATOM 1652 C GLU A 120 13.292 -8.086 0.090 1.00 0.37 C ATOM 1653 O GLU A 120 13.516 -8.957 -0.735 1.00 0.43 O ATOM 1654 CB GLU A 120 15.125 -6.920 1.293 1.00 0.36 C ATOM 1655 CG GLU A 120 16.342 -7.777 0.982 1.00 0.42 C ATOM 1656 CD GLU A 120 17.149 -8.117 2.217 1.00 0.48 C ATOM 1657 OE1 GLU A 120 17.725 -7.199 2.837 1.00 0.58 O ATOM 1658 OE2 GLU A 120 17.202 -9.311 2.584 1.00 0.61 O ATOM 0 H GLU A 120 13.455 -5.131 1.154 1.00 0.28 H new ATOM 0 HA GLU A 120 14.679 -6.716 -0.793 1.00 0.34 H new ATOM 0 HB2 GLU A 120 15.457 -5.916 1.557 1.00 0.36 H new ATOM 0 HB3 GLU A 120 14.618 -7.328 2.167 1.00 0.36 H new ATOM 0 HG2 GLU A 120 16.018 -8.699 0.500 1.00 0.42 H new ATOM 0 HG3 GLU A 120 16.979 -7.252 0.270 1.00 0.42 H new ATOM 1665 N THR A 121 12.322 -8.172 0.983 1.00 0.36 N ATOM 1666 CA THR A 121 11.412 -9.297 1.004 1.00 0.40 C ATOM 1667 C THR A 121 10.638 -9.387 -0.308 1.00 0.40 C ATOM 1668 O THR A 121 10.472 -10.470 -0.866 1.00 0.45 O ATOM 1669 CB THR A 121 10.442 -9.178 2.180 1.00 0.41 C ATOM 1670 OG1 THR A 121 11.184 -9.028 3.396 1.00 0.43 O ATOM 1671 CG2 THR A 121 9.544 -10.405 2.271 1.00 0.47 C ATOM 0 H THR A 121 12.146 -7.472 1.704 1.00 0.36 H new ATOM 0 HA THR A 121 11.999 -10.208 1.124 1.00 0.40 H new ATOM 0 HB THR A 121 9.810 -8.304 2.023 1.00 0.41 H new ATOM 0 HG1 THR A 121 11.547 -8.119 3.448 1.00 0.43 H new ATOM 0 HG21 THR A 121 8.863 -10.296 3.115 1.00 0.47 H new ATOM 0 HG22 THR A 121 8.968 -10.503 1.351 1.00 0.47 H new ATOM 0 HG23 THR A 121 10.157 -11.295 2.412 1.00 0.47 H new ATOM 1679 N VAL A 122 10.195 -8.236 -0.808 1.00 0.37 N ATOM 1680 CA VAL A 122 9.505 -8.169 -2.092 1.00 0.39 C ATOM 1681 C VAL A 122 10.378 -8.758 -3.197 1.00 0.44 C ATOM 1682 O VAL A 122 9.941 -9.624 -3.962 1.00 0.50 O ATOM 1683 CB VAL A 122 9.137 -6.713 -2.462 1.00 0.38 C ATOM 1684 CG1 VAL A 122 8.427 -6.657 -3.807 1.00 0.43 C ATOM 1685 CG2 VAL A 122 8.279 -6.078 -1.374 1.00 0.36 C ATOM 0 H VAL A 122 10.302 -7.335 -0.342 1.00 0.37 H new ATOM 0 HA VAL A 122 8.587 -8.749 -1.997 1.00 0.39 H new ATOM 0 HB VAL A 122 10.062 -6.143 -2.543 1.00 0.38 H new ATOM 0 HG11 VAL A 122 8.179 -5.623 -4.045 1.00 0.43 H new ATOM 0 HG12 VAL A 122 9.081 -7.060 -4.581 1.00 0.43 H new ATOM 0 HG13 VAL A 122 7.512 -7.248 -3.761 1.00 0.43 H new ATOM 0 HG21 VAL A 122 8.033 -5.054 -1.656 1.00 0.36 H new ATOM 0 HG22 VAL A 122 7.360 -6.652 -1.253 1.00 0.36 H new ATOM 0 HG23 VAL A 122 8.830 -6.073 -0.433 1.00 0.36 H new ATOM 1695 N VAL A 123 11.624 -8.310 -3.252 1.00 0.44 N ATOM 1696 CA VAL A 123 12.538 -8.726 -4.303 1.00 0.51 C ATOM 1697 C VAL A 123 13.092 -10.132 -4.042 1.00 0.57 C ATOM 1698 O VAL A 123 13.606 -10.782 -4.947 1.00 0.67 O ATOM 1699 CB VAL A 123 13.692 -7.708 -4.469 1.00 0.50 C ATOM 1700 CG1 VAL A 123 14.687 -7.793 -3.326 1.00 0.48 C ATOM 1701 CG2 VAL A 123 14.382 -7.887 -5.808 1.00 0.59 C ATOM 0 H VAL A 123 12.025 -7.657 -2.579 1.00 0.44 H new ATOM 0 HA VAL A 123 11.972 -8.758 -5.234 1.00 0.51 H new ATOM 0 HB VAL A 123 13.254 -6.710 -4.442 1.00 0.50 H new ATOM 0 HG11 VAL A 123 15.481 -7.063 -3.480 1.00 0.48 H new ATOM 0 HG12 VAL A 123 14.179 -7.583 -2.385 1.00 0.48 H new ATOM 0 HG13 VAL A 123 15.117 -8.794 -3.291 1.00 0.48 H new ATOM 0 HG21 VAL A 123 15.189 -7.160 -5.901 1.00 0.59 H new ATOM 0 HG22 VAL A 123 14.792 -8.895 -5.874 1.00 0.59 H new ATOM 0 HG23 VAL A 123 13.662 -7.734 -6.612 1.00 0.59 H new ATOM 1711 N LYS A 124 12.982 -10.604 -2.802 1.00 0.55 N ATOM 1712 CA LYS A 124 13.383 -11.968 -2.471 1.00 0.61 C ATOM 1713 C LYS A 124 12.330 -12.963 -2.930 1.00 0.63 C ATOM 1714 O LYS A 124 12.622 -14.139 -3.140 1.00 0.72 O ATOM 1715 CB LYS A 124 13.639 -12.127 -0.968 1.00 0.62 C ATOM 1716 CG LYS A 124 15.000 -11.608 -0.528 1.00 0.67 C ATOM 1717 CD LYS A 124 15.253 -11.830 0.957 1.00 0.75 C ATOM 1718 CE LYS A 124 14.341 -10.978 1.823 1.00 0.67 C ATOM 1719 NZ LYS A 124 14.677 -11.088 3.267 1.00 1.07 N ATOM 0 H LYS A 124 12.621 -10.065 -2.015 1.00 0.55 H new ATOM 0 HA LYS A 124 14.315 -12.173 -2.997 1.00 0.61 H new ATOM 0 HB2 LYS A 124 12.861 -11.598 -0.417 1.00 0.62 H new ATOM 0 HB3 LYS A 124 13.557 -13.181 -0.703 1.00 0.62 H new ATOM 0 HG2 LYS A 124 15.780 -12.105 -1.105 1.00 0.67 H new ATOM 0 HG3 LYS A 124 15.069 -10.543 -0.750 1.00 0.67 H new ATOM 0 HD2 LYS A 124 15.102 -12.882 1.197 1.00 0.75 H new ATOM 0 HD3 LYS A 124 16.293 -11.597 1.187 1.00 0.75 H new ATOM 0 HE2 LYS A 124 14.416 -9.936 1.512 1.00 0.67 H new ATOM 0 HE3 LYS A 124 13.306 -11.283 1.668 1.00 0.67 H new ATOM 0 HZ1 LYS A 124 13.894 -10.707 3.836 1.00 1.07 H new ATOM 0 HZ2 LYS A 124 14.829 -12.087 3.513 1.00 1.07 H new ATOM 0 HZ3 LYS A 124 15.543 -10.547 3.464 1.00 1.07 H new ATOM 1733 N VAL A 125 11.103 -12.493 -3.079 1.00 0.59 N ATOM 1734 CA VAL A 125 10.032 -13.335 -3.583 1.00 0.63 C ATOM 1735 C VAL A 125 10.010 -13.303 -5.106 1.00 0.69 C ATOM 1736 O VAL A 125 9.946 -14.348 -5.753 1.00 0.75 O ATOM 1737 CB VAL A 125 8.659 -12.918 -3.019 1.00 0.60 C ATOM 1738 CG1 VAL A 125 7.552 -13.794 -3.590 1.00 0.66 C ATOM 1739 CG2 VAL A 125 8.671 -12.992 -1.499 1.00 0.59 C ATOM 0 H VAL A 125 10.825 -11.537 -2.859 1.00 0.59 H new ATOM 0 HA VAL A 125 10.228 -14.353 -3.248 1.00 0.63 H new ATOM 0 HB VAL A 125 8.462 -11.888 -3.316 1.00 0.60 H new ATOM 0 HG11 VAL A 125 6.592 -13.482 -3.178 1.00 0.66 H new ATOM 0 HG12 VAL A 125 7.531 -13.693 -4.675 1.00 0.66 H new ATOM 0 HG13 VAL A 125 7.739 -14.835 -3.326 1.00 0.66 H new ATOM 0 HG21 VAL A 125 7.696 -12.695 -1.113 1.00 0.59 H new ATOM 0 HG22 VAL A 125 8.890 -14.013 -1.186 1.00 0.59 H new ATOM 0 HG23 VAL A 125 9.436 -12.321 -1.108 1.00 0.59 H new ATOM 1749 N LYS A 126 10.082 -12.109 -5.680 1.00 0.68 N ATOM 1750 CA LYS A 126 10.174 -11.973 -7.124 1.00 0.76 C ATOM 1751 C LYS A 126 11.378 -11.124 -7.522 1.00 0.75 C ATOM 1752 O LYS A 126 11.277 -9.915 -7.718 1.00 0.73 O ATOM 1753 CB LYS A 126 8.870 -11.438 -7.740 1.00 0.80 C ATOM 1754 CG LYS A 126 7.995 -10.599 -6.815 1.00 0.73 C ATOM 1755 CD LYS A 126 8.304 -9.116 -6.922 1.00 0.71 C ATOM 1756 CE LYS A 126 7.029 -8.281 -7.011 1.00 0.73 C ATOM 1757 NZ LYS A 126 6.244 -8.567 -8.246 1.00 1.12 N ATOM 0 H LYS A 126 10.078 -11.226 -5.169 1.00 0.68 H new ATOM 0 HA LYS A 126 10.324 -12.972 -7.534 1.00 0.76 H new ATOM 0 HB2 LYS A 126 9.123 -10.837 -8.614 1.00 0.80 H new ATOM 0 HB3 LYS A 126 8.283 -12.285 -8.095 1.00 0.80 H new ATOM 0 HG2 LYS A 126 6.946 -10.768 -7.058 1.00 0.73 H new ATOM 0 HG3 LYS A 126 8.141 -10.925 -5.785 1.00 0.73 H new ATOM 0 HD2 LYS A 126 8.886 -8.802 -6.055 1.00 0.71 H new ATOM 0 HD3 LYS A 126 8.920 -8.935 -7.803 1.00 0.71 H new ATOM 0 HE2 LYS A 126 6.409 -8.477 -6.137 1.00 0.73 H new ATOM 0 HE3 LYS A 126 7.289 -7.223 -6.987 1.00 0.73 H new ATOM 0 HZ1 LYS A 126 5.235 -8.647 -8.005 1.00 1.12 H new ATOM 0 HZ2 LYS A 126 6.377 -7.794 -8.929 1.00 1.12 H new ATOM 0 HZ3 LYS A 126 6.572 -9.460 -8.667 1.00 1.12 H new ATOM 1771 N PRO A 127 12.549 -11.771 -7.625 1.00 0.80 N ATOM 1772 CA PRO A 127 13.807 -11.105 -7.979 1.00 0.83 C ATOM 1773 C PRO A 127 13.888 -10.759 -9.459 1.00 0.92 C ATOM 1774 O PRO A 127 14.766 -10.012 -9.883 1.00 0.96 O ATOM 1775 CB PRO A 127 14.863 -12.150 -7.623 1.00 0.87 C ATOM 1776 CG PRO A 127 14.164 -13.448 -7.804 1.00 0.97 C ATOM 1777 CD PRO A 127 12.745 -13.210 -7.373 1.00 0.86 C ATOM 0 HA PRO A 127 13.925 -10.154 -7.459 1.00 0.83 H new ATOM 0 HB2 PRO A 127 15.735 -12.073 -8.273 1.00 0.87 H new ATOM 0 HB3 PRO A 127 15.216 -12.027 -6.599 1.00 0.87 H new ATOM 0 HG2 PRO A 127 14.208 -13.775 -8.843 1.00 0.97 H new ATOM 0 HG3 PRO A 127 14.629 -14.230 -7.204 1.00 0.97 H new ATOM 0 HD2 PRO A 127 12.044 -13.817 -7.945 1.00 0.86 H new ATOM 0 HD3 PRO A 127 12.597 -13.458 -6.322 1.00 0.86 H new ATOM 1785 N HIS A 128 12.972 -11.306 -10.244 1.00 0.99 N ATOM 1786 CA HIS A 128 12.940 -11.033 -11.674 1.00 1.12 C ATOM 1787 C HIS A 128 12.007 -9.868 -11.946 1.00 1.04 C ATOM 1788 O HIS A 128 11.719 -9.537 -13.098 1.00 1.11 O ATOM 1789 CB HIS A 128 12.481 -12.260 -12.464 1.00 1.33 C ATOM 1790 CG HIS A 128 13.324 -13.475 -12.243 1.00 2.00 C ATOM 1791 ND1 HIS A 128 14.484 -13.731 -12.939 1.00 2.75 N ATOM 1792 CD2 HIS A 128 13.166 -14.510 -11.390 1.00 2.49 C ATOM 1793 CE1 HIS A 128 15.001 -14.870 -12.523 1.00 3.56 C ATOM 1794 NE2 HIS A 128 14.219 -15.367 -11.581 1.00 3.37 N ATOM 0 H HIS A 128 12.243 -11.940 -9.917 1.00 0.99 H new ATOM 0 HA HIS A 128 13.950 -10.782 -11.998 1.00 1.12 H new ATOM 0 HB2 HIS A 128 11.451 -12.490 -12.192 1.00 1.33 H new ATOM 0 HB3 HIS A 128 12.483 -12.017 -13.527 1.00 1.33 H new ATOM 0 HD2 HIS A 128 12.357 -14.639 -10.686 1.00 2.49 H new ATOM 0 HE1 HIS A 128 15.911 -15.321 -12.890 1.00 3.56 H new ATOM 0 HE2 HIS A 128 14.373 -16.242 -11.080 1.00 3.37 H new ATOM 1803 N ASP A 129 11.525 -9.259 -10.872 1.00 0.92 N ATOM 1804 CA ASP A 129 10.637 -8.113 -10.979 1.00 0.89 C ATOM 1805 C ASP A 129 11.435 -6.820 -10.904 1.00 0.83 C ATOM 1806 O ASP A 129 12.018 -6.496 -9.869 1.00 0.80 O ATOM 1807 CB ASP A 129 9.589 -8.138 -9.875 1.00 0.89 C ATOM 1808 CG ASP A 129 8.517 -7.085 -10.063 1.00 0.89 C ATOM 1809 OD1 ASP A 129 8.805 -5.888 -9.874 1.00 1.11 O ATOM 1810 OD2 ASP A 129 7.368 -7.462 -10.370 1.00 1.09 O ATOM 0 H ASP A 129 11.735 -9.541 -9.915 1.00 0.92 H new ATOM 0 HA ASP A 129 10.129 -8.164 -11.942 1.00 0.89 H new ATOM 0 HB2 ASP A 129 9.123 -9.123 -9.844 1.00 0.89 H new ATOM 0 HB3 ASP A 129 10.077 -7.986 -8.913 1.00 0.89 H new ATOM 1815 N LYS A 130 11.464 -6.105 -12.016 1.00 0.85 N ATOM 1816 CA LYS A 130 12.211 -4.859 -12.141 1.00 0.89 C ATOM 1817 C LYS A 130 11.848 -3.840 -11.074 1.00 0.84 C ATOM 1818 O LYS A 130 12.712 -3.096 -10.617 1.00 0.84 O ATOM 1819 CB LYS A 130 11.970 -4.233 -13.511 1.00 1.04 C ATOM 1820 CG LYS A 130 10.496 -4.109 -13.876 1.00 1.18 C ATOM 1821 CD LYS A 130 10.294 -3.992 -15.378 1.00 1.44 C ATOM 1822 CE LYS A 130 10.992 -2.774 -15.955 1.00 2.28 C ATOM 1823 NZ LYS A 130 10.914 -2.755 -17.438 1.00 3.05 N ATOM 0 H LYS A 130 10.967 -6.373 -12.865 1.00 0.85 H new ATOM 0 HA LYS A 130 13.261 -5.121 -12.014 1.00 0.89 H new ATOM 0 HB2 LYS A 130 12.425 -3.243 -13.534 1.00 1.04 H new ATOM 0 HB3 LYS A 130 12.474 -4.833 -14.269 1.00 1.04 H new ATOM 0 HG2 LYS A 130 9.955 -4.979 -13.503 1.00 1.18 H new ATOM 0 HG3 LYS A 130 10.072 -3.234 -13.383 1.00 1.18 H new ATOM 0 HD2 LYS A 130 10.672 -4.891 -15.865 1.00 1.44 H new ATOM 0 HD3 LYS A 130 9.228 -3.936 -15.597 1.00 1.44 H new ATOM 0 HE2 LYS A 130 10.537 -1.868 -15.554 1.00 2.28 H new ATOM 0 HE3 LYS A 130 12.037 -2.771 -15.644 1.00 2.28 H new ATOM 0 HZ1 LYS A 130 11.400 -1.910 -17.800 1.00 3.05 H new ATOM 0 HZ2 LYS A 130 11.370 -3.608 -17.821 1.00 3.05 H new ATOM 0 HZ3 LYS A 130 9.917 -2.734 -17.733 1.00 3.05 H new ATOM 1837 N ASP A 131 10.585 -3.798 -10.682 1.00 0.86 N ATOM 1838 CA ASP A 131 10.120 -2.764 -9.770 1.00 0.90 C ATOM 1839 C ASP A 131 10.444 -3.153 -8.336 1.00 0.77 C ATOM 1840 O ASP A 131 10.870 -2.314 -7.536 1.00 0.80 O ATOM 1841 CB ASP A 131 8.621 -2.522 -9.937 1.00 1.05 C ATOM 1842 CG ASP A 131 8.235 -1.106 -9.568 1.00 1.45 C ATOM 1843 OD1 ASP A 131 8.202 -0.781 -8.367 1.00 1.82 O ATOM 1844 OD2 ASP A 131 7.997 -0.294 -10.487 1.00 1.60 O ATOM 0 H ASP A 131 9.868 -4.461 -10.977 1.00 0.86 H new ATOM 0 HA ASP A 131 10.636 -1.834 -10.008 1.00 0.90 H new ATOM 0 HB2 ASP A 131 8.334 -2.719 -10.970 1.00 1.05 H new ATOM 0 HB3 ASP A 131 8.068 -3.224 -9.313 1.00 1.05 H new ATOM 1849 N ALA A 132 10.257 -4.436 -8.028 1.00 0.69 N ATOM 1850 CA ALA A 132 10.688 -4.994 -6.755 1.00 0.62 C ATOM 1851 C ALA A 132 12.167 -4.713 -6.550 1.00 0.59 C ATOM 1852 O ALA A 132 12.575 -4.161 -5.520 1.00 0.56 O ATOM 1853 CB ALA A 132 10.428 -6.491 -6.720 1.00 0.65 C ATOM 0 H ALA A 132 9.807 -5.108 -8.649 1.00 0.69 H new ATOM 0 HA ALA A 132 10.120 -4.527 -5.951 1.00 0.62 H new ATOM 0 HB1 ALA A 132 10.755 -6.895 -5.762 1.00 0.65 H new ATOM 0 HB2 ALA A 132 9.362 -6.678 -6.847 1.00 0.65 H new ATOM 0 HB3 ALA A 132 10.980 -6.975 -7.526 1.00 0.65 H new ATOM 1859 N LYS A 133 12.966 -5.080 -7.551 1.00 0.63 N ATOM 1860 CA LYS A 133 14.386 -4.779 -7.531 1.00 0.66 C ATOM 1861 C LYS A 133 14.592 -3.289 -7.390 1.00 0.65 C ATOM 1862 O LYS A 133 15.278 -2.848 -6.488 1.00 0.63 O ATOM 1863 CB LYS A 133 15.101 -5.244 -8.804 1.00 0.74 C ATOM 1864 CG LYS A 133 14.922 -6.712 -9.122 1.00 0.75 C ATOM 1865 CD LYS A 133 15.994 -7.208 -10.078 1.00 0.95 C ATOM 1866 CE LYS A 133 15.984 -6.439 -11.388 1.00 1.21 C ATOM 1867 NZ LYS A 133 17.055 -6.905 -12.307 1.00 1.93 N ATOM 0 H LYS A 133 12.651 -5.584 -8.380 1.00 0.63 H new ATOM 0 HA LYS A 133 14.810 -5.316 -6.682 1.00 0.66 H new ATOM 0 HB2 LYS A 133 14.737 -4.656 -9.646 1.00 0.74 H new ATOM 0 HB3 LYS A 133 16.166 -5.034 -8.705 1.00 0.74 H new ATOM 0 HG2 LYS A 133 14.958 -7.292 -8.200 1.00 0.75 H new ATOM 0 HG3 LYS A 133 13.938 -6.873 -9.562 1.00 0.75 H new ATOM 0 HD2 LYS A 133 16.973 -7.112 -9.608 1.00 0.95 H new ATOM 0 HD3 LYS A 133 15.840 -8.268 -10.278 1.00 0.95 H new ATOM 0 HE2 LYS A 133 15.014 -6.556 -11.871 1.00 1.21 H new ATOM 0 HE3 LYS A 133 16.114 -5.376 -11.187 1.00 1.21 H new ATOM 0 HZ1 LYS A 133 17.017 -6.357 -13.190 1.00 1.93 H new ATOM 0 HZ2 LYS A 133 17.982 -6.771 -11.856 1.00 1.93 H new ATOM 0 HZ3 LYS A 133 16.916 -7.914 -12.519 1.00 1.93 H new ATOM 1881 N MET A 134 13.954 -2.532 -8.277 1.00 0.68 N ATOM 1882 CA MET A 134 14.165 -1.093 -8.398 1.00 0.72 C ATOM 1883 C MET A 134 14.213 -0.387 -7.053 1.00 0.65 C ATOM 1884 O MET A 134 15.210 0.244 -6.708 1.00 0.68 O ATOM 1885 CB MET A 134 13.054 -0.464 -9.241 1.00 0.78 C ATOM 1886 CG MET A 134 13.135 1.055 -9.307 1.00 0.84 C ATOM 1887 SD MET A 134 11.818 1.782 -10.306 1.00 0.97 S ATOM 1888 CE MET A 134 12.106 0.983 -11.886 1.00 1.61 C ATOM 0 H MET A 134 13.271 -2.903 -8.937 1.00 0.68 H new ATOM 0 HA MET A 134 15.134 -0.966 -8.880 1.00 0.72 H new ATOM 0 HB2 MET A 134 13.102 -0.868 -10.252 1.00 0.78 H new ATOM 0 HB3 MET A 134 12.087 -0.752 -8.828 1.00 0.78 H new ATOM 0 HG2 MET A 134 13.085 1.461 -8.297 1.00 0.84 H new ATOM 0 HG3 MET A 134 14.101 1.345 -9.720 1.00 0.84 H new ATOM 0 HE1 MET A 134 11.647 1.572 -12.680 1.00 1.61 H new ATOM 0 HE2 MET A 134 13.179 0.906 -12.065 1.00 1.61 H new ATOM 0 HE3 MET A 134 11.667 -0.015 -11.874 1.00 1.61 H new ATOM 1898 N LYS A 135 13.135 -0.494 -6.299 1.00 0.59 N ATOM 1899 CA LYS A 135 13.032 0.218 -5.040 1.00 0.54 C ATOM 1900 C LYS A 135 13.961 -0.385 -4.001 1.00 0.48 C ATOM 1901 O LYS A 135 14.438 0.315 -3.111 1.00 0.46 O ATOM 1902 CB LYS A 135 11.589 0.241 -4.548 1.00 0.54 C ATOM 1903 CG LYS A 135 10.740 1.331 -5.191 1.00 0.65 C ATOM 1904 CD LYS A 135 10.545 1.093 -6.681 1.00 0.76 C ATOM 1905 CE LYS A 135 9.630 2.135 -7.305 1.00 1.05 C ATOM 1906 NZ LYS A 135 9.198 1.740 -8.671 1.00 1.94 N ATOM 0 H LYS A 135 12.323 -1.064 -6.535 1.00 0.59 H new ATOM 0 HA LYS A 135 13.344 1.250 -5.204 1.00 0.54 H new ATOM 0 HB2 LYS A 135 11.131 -0.728 -4.746 1.00 0.54 H new ATOM 0 HB3 LYS A 135 11.585 0.380 -3.467 1.00 0.54 H new ATOM 0 HG2 LYS A 135 9.768 1.371 -4.700 1.00 0.65 H new ATOM 0 HG3 LYS A 135 11.215 2.300 -5.037 1.00 0.65 H new ATOM 0 HD2 LYS A 135 11.513 1.113 -7.182 1.00 0.76 H new ATOM 0 HD3 LYS A 135 10.125 0.100 -6.838 1.00 0.76 H new ATOM 0 HE2 LYS A 135 8.753 2.275 -6.672 1.00 1.05 H new ATOM 0 HE3 LYS A 135 10.147 3.093 -7.350 1.00 1.05 H new ATOM 0 HZ1 LYS A 135 8.795 2.565 -9.160 1.00 1.94 H new ATOM 0 HZ2 LYS A 135 10.017 1.387 -9.206 1.00 1.94 H new ATOM 0 HZ3 LYS A 135 8.479 0.992 -8.605 1.00 1.94 H new ATOM 1920 N TYR A 136 14.236 -1.677 -4.127 1.00 0.48 N ATOM 1921 CA TYR A 136 15.237 -2.317 -3.290 1.00 0.46 C ATOM 1922 C TYR A 136 16.623 -1.739 -3.588 1.00 0.47 C ATOM 1923 O TYR A 136 17.366 -1.410 -2.676 1.00 0.48 O ATOM 1924 CB TYR A 136 15.217 -3.837 -3.493 1.00 0.48 C ATOM 1925 CG TYR A 136 16.431 -4.548 -2.933 1.00 0.48 C ATOM 1926 CD1 TYR A 136 16.568 -4.756 -1.569 1.00 0.48 C ATOM 1927 CD2 TYR A 136 17.441 -5.005 -3.771 1.00 0.54 C ATOM 1928 CE1 TYR A 136 17.677 -5.399 -1.054 1.00 0.51 C ATOM 1929 CE2 TYR A 136 18.553 -5.650 -3.265 1.00 0.57 C ATOM 1930 CZ TYR A 136 18.666 -5.843 -1.904 1.00 0.54 C ATOM 1931 OH TYR A 136 19.771 -6.486 -1.391 1.00 0.59 O ATOM 0 H TYR A 136 13.782 -2.297 -4.797 1.00 0.48 H new ATOM 0 HA TYR A 136 15.001 -2.117 -2.245 1.00 0.46 H new ATOM 0 HB2 TYR A 136 14.321 -4.244 -3.024 1.00 0.48 H new ATOM 0 HB3 TYR A 136 15.143 -4.050 -4.559 1.00 0.48 H new ATOM 0 HD1 TYR A 136 15.795 -4.410 -0.898 1.00 0.48 H new ATOM 0 HD2 TYR A 136 17.355 -4.853 -4.837 1.00 0.54 H new ATOM 0 HE1 TYR A 136 17.768 -5.553 0.011 1.00 0.51 H new ATOM 0 HE2 TYR A 136 19.328 -6.001 -3.930 1.00 0.57 H new ATOM 0 HH TYR A 136 20.373 -6.736 -2.123 1.00 0.59 H new ATOM 1941 N GLN A 137 16.946 -1.590 -4.874 1.00 0.49 N ATOM 1942 CA GLN A 137 18.233 -1.037 -5.301 1.00 0.51 C ATOM 1943 C GLN A 137 18.346 0.396 -4.822 1.00 0.53 C ATOM 1944 O GLN A 137 19.402 0.839 -4.377 1.00 0.57 O ATOM 1945 CB GLN A 137 18.355 -1.057 -6.832 1.00 0.55 C ATOM 1946 CG GLN A 137 17.909 -2.360 -7.465 1.00 0.61 C ATOM 1947 CD GLN A 137 18.782 -3.531 -7.103 1.00 1.17 C ATOM 1948 OE1 GLN A 137 18.171 -4.692 -7.034 1.00 2.09 O flip ATOM 1949 NE2 GLN A 137 19.986 -3.395 -6.878 1.00 1.24 N flip ATOM 0 H GLN A 137 16.328 -1.847 -5.644 1.00 0.49 H new ATOM 0 HA GLN A 137 19.029 -1.647 -4.874 1.00 0.51 H new ATOM 0 HB2 GLN A 137 17.761 -0.241 -7.245 1.00 0.55 H new ATOM 0 HB3 GLN A 137 19.393 -0.867 -7.107 1.00 0.55 H new ATOM 0 HG2 GLN A 137 16.885 -2.572 -7.159 1.00 0.61 H new ATOM 0 HG3 GLN A 137 17.900 -2.244 -8.549 1.00 0.61 H new ATOM 0 HE21 GLN A 137 20.416 -2.473 -6.944 1.00 1.24 H new ATOM 0 HE22 GLN A 137 20.552 -4.205 -6.626 1.00 1.24 H new ATOM 1958 N GLU A 138 17.223 1.094 -4.900 1.00 0.53 N ATOM 1959 CA GLU A 138 17.139 2.492 -4.531 1.00 0.57 C ATOM 1960 C GLU A 138 17.443 2.654 -3.055 1.00 0.54 C ATOM 1961 O GLU A 138 18.337 3.396 -2.663 1.00 0.60 O ATOM 1962 CB GLU A 138 15.736 3.014 -4.832 1.00 0.60 C ATOM 1963 CG GLU A 138 15.549 4.477 -4.490 1.00 0.69 C ATOM 1964 CD GLU A 138 16.238 5.407 -5.462 1.00 1.33 C ATOM 1965 OE1 GLU A 138 15.900 5.373 -6.657 1.00 1.46 O ATOM 1966 OE2 GLU A 138 17.130 6.172 -5.040 1.00 2.04 O ATOM 0 H GLU A 138 16.340 0.700 -5.224 1.00 0.53 H new ATOM 0 HA GLU A 138 17.868 3.062 -5.107 1.00 0.57 H new ATOM 0 HB2 GLU A 138 15.521 2.866 -5.890 1.00 0.60 H new ATOM 0 HB3 GLU A 138 15.010 2.423 -4.274 1.00 0.60 H new ATOM 0 HG2 GLU A 138 14.483 4.706 -4.471 1.00 0.69 H new ATOM 0 HG3 GLU A 138 15.933 4.661 -3.486 1.00 0.69 H new ATOM 1973 N CYS A 139 16.701 1.930 -2.246 1.00 0.47 N ATOM 1974 CA CYS A 139 16.871 1.971 -0.815 1.00 0.44 C ATOM 1975 C CYS A 139 18.242 1.430 -0.427 1.00 0.43 C ATOM 1976 O CYS A 139 18.888 1.949 0.479 1.00 0.42 O ATOM 1977 CB CYS A 139 15.770 1.151 -0.164 1.00 0.42 C ATOM 1978 SG CYS A 139 14.101 1.722 -0.556 1.00 1.06 S ATOM 0 H CYS A 139 15.965 1.299 -2.563 1.00 0.47 H new ATOM 0 HA CYS A 139 16.807 3.003 -0.469 1.00 0.44 H new ATOM 0 HB2 CYS A 139 15.871 0.112 -0.478 1.00 0.42 H new ATOM 0 HB3 CYS A 139 15.906 1.172 0.917 1.00 0.42 H new ATOM 0 HG CYS A 139 13.764 1.299 -1.738 1.00 1.06 H new ATOM 1984 N ASN A 140 18.686 0.400 -1.139 1.00 0.45 N ATOM 1985 CA ASN A 140 19.976 -0.222 -0.875 1.00 0.48 C ATOM 1986 C ASN A 140 21.104 0.774 -1.095 1.00 0.52 C ATOM 1987 O ASN A 140 21.978 0.941 -0.239 1.00 0.54 O ATOM 1988 CB ASN A 140 20.164 -1.456 -1.771 1.00 0.52 C ATOM 1989 CG ASN A 140 21.451 -2.207 -1.492 1.00 0.60 C ATOM 1990 OD1 ASN A 140 21.518 -3.028 -0.579 1.00 1.22 O ATOM 1991 ND2 ASN A 140 22.471 -1.957 -2.297 1.00 1.13 N ATOM 0 H ASN A 140 18.167 -0.023 -1.908 1.00 0.45 H new ATOM 0 HA ASN A 140 20.001 -0.542 0.167 1.00 0.48 H new ATOM 0 HB2 ASN A 140 19.320 -2.131 -1.631 1.00 0.52 H new ATOM 0 HB3 ASN A 140 20.152 -1.144 -2.815 1.00 0.52 H new ATOM 0 HD21 ASN A 140 23.353 -2.453 -2.172 1.00 1.13 H new ATOM 0 HD22 ASN A 140 22.375 -1.268 -3.043 1.00 1.13 H new ATOM 1998 N LYS A 141 21.071 1.459 -2.229 1.00 0.56 N ATOM 1999 CA LYS A 141 22.091 2.443 -2.532 1.00 0.63 C ATOM 2000 C LYS A 141 21.976 3.635 -1.592 1.00 0.60 C ATOM 2001 O LYS A 141 22.986 4.212 -1.202 1.00 0.65 O ATOM 2002 CB LYS A 141 22.021 2.898 -3.995 1.00 0.70 C ATOM 2003 CG LYS A 141 20.751 3.631 -4.382 1.00 0.69 C ATOM 2004 CD LYS A 141 20.966 4.444 -5.644 1.00 0.81 C ATOM 2005 CE LYS A 141 19.679 5.090 -6.120 1.00 0.85 C ATOM 2006 NZ LYS A 141 19.895 5.948 -7.313 1.00 1.15 N ATOM 0 H LYS A 141 20.354 1.351 -2.947 1.00 0.56 H new ATOM 0 HA LYS A 141 23.062 1.971 -2.382 1.00 0.63 H new ATOM 0 HB2 LYS A 141 22.873 3.547 -4.198 1.00 0.70 H new ATOM 0 HB3 LYS A 141 22.127 2.023 -4.637 1.00 0.70 H new ATOM 0 HG2 LYS A 141 19.945 2.914 -4.538 1.00 0.69 H new ATOM 0 HG3 LYS A 141 20.442 4.287 -3.569 1.00 0.69 H new ATOM 0 HD2 LYS A 141 21.713 5.215 -5.457 1.00 0.81 H new ATOM 0 HD3 LYS A 141 21.362 3.800 -6.429 1.00 0.81 H new ATOM 0 HE2 LYS A 141 18.951 4.315 -6.358 1.00 0.85 H new ATOM 0 HE3 LYS A 141 19.255 5.689 -5.314 1.00 0.85 H new ATOM 0 HZ1 LYS A 141 18.991 6.370 -7.605 1.00 1.15 H new ATOM 0 HZ2 LYS A 141 20.570 6.704 -7.079 1.00 1.15 H new ATOM 0 HZ3 LYS A 141 20.276 5.372 -8.091 1.00 1.15 H new ATOM 2020 N ILE A 142 20.749 3.985 -1.212 1.00 0.54 N ATOM 2021 CA ILE A 142 20.523 5.093 -0.289 1.00 0.52 C ATOM 2022 C ILE A 142 21.072 4.772 1.098 1.00 0.49 C ATOM 2023 O ILE A 142 21.587 5.653 1.793 1.00 0.51 O ATOM 2024 CB ILE A 142 19.034 5.493 -0.224 1.00 0.50 C ATOM 2025 CG1 ILE A 142 18.658 6.210 -1.521 1.00 0.58 C ATOM 2026 CG2 ILE A 142 18.749 6.375 0.986 1.00 0.49 C ATOM 2027 CD1 ILE A 142 17.257 6.781 -1.528 1.00 0.60 C ATOM 0 H ILE A 142 19.899 3.518 -1.528 1.00 0.54 H new ATOM 0 HA ILE A 142 21.069 5.954 -0.675 1.00 0.52 H new ATOM 0 HB ILE A 142 18.427 4.594 -0.114 1.00 0.50 H new ATOM 0 HG12 ILE A 142 19.369 7.018 -1.696 1.00 0.58 H new ATOM 0 HG13 ILE A 142 18.758 5.512 -2.352 1.00 0.58 H new ATOM 0 HG21 ILE A 142 17.692 6.639 1.003 1.00 0.49 H new ATOM 0 HG22 ILE A 142 19.002 5.834 1.898 1.00 0.49 H new ATOM 0 HG23 ILE A 142 19.349 7.283 0.924 1.00 0.49 H new ATOM 0 HD11 ILE A 142 17.069 7.273 -2.483 1.00 0.60 H new ATOM 0 HD12 ILE A 142 16.535 5.976 -1.386 1.00 0.60 H new ATOM 0 HD13 ILE A 142 17.156 7.506 -0.720 1.00 0.60 H new ATOM 2039 N VAL A 143 20.997 3.509 1.486 1.00 0.46 N ATOM 2040 CA VAL A 143 21.647 3.065 2.704 1.00 0.47 C ATOM 2041 C VAL A 143 23.154 3.302 2.611 1.00 0.56 C ATOM 2042 O VAL A 143 23.800 3.671 3.593 1.00 0.59 O ATOM 2043 CB VAL A 143 21.369 1.570 2.990 1.00 0.47 C ATOM 2044 CG1 VAL A 143 22.242 1.074 4.129 1.00 0.55 C ATOM 2045 CG2 VAL A 143 19.900 1.351 3.319 1.00 0.41 C ATOM 0 H VAL A 143 20.496 2.780 0.978 1.00 0.46 H new ATOM 0 HA VAL A 143 21.235 3.647 3.528 1.00 0.47 H new ATOM 0 HB VAL A 143 21.611 1.001 2.092 1.00 0.47 H new ATOM 0 HG11 VAL A 143 22.033 0.021 4.316 1.00 0.55 H new ATOM 0 HG12 VAL A 143 23.292 1.193 3.861 1.00 0.55 H new ATOM 0 HG13 VAL A 143 22.029 1.651 5.029 1.00 0.55 H new ATOM 0 HG21 VAL A 143 19.725 0.293 3.517 1.00 0.41 H new ATOM 0 HG22 VAL A 143 19.634 1.934 4.201 1.00 0.41 H new ATOM 0 HG23 VAL A 143 19.287 1.668 2.475 1.00 0.41 H new ATOM 2055 N LYS A 144 23.713 3.110 1.417 1.00 0.63 N ATOM 2056 CA LYS A 144 25.141 3.328 1.213 1.00 0.74 C ATOM 2057 C LYS A 144 25.453 4.807 1.029 1.00 0.76 C ATOM 2058 O LYS A 144 26.609 5.218 1.130 1.00 0.85 O ATOM 2059 CB LYS A 144 25.663 2.550 0.009 1.00 0.84 C ATOM 2060 CG LYS A 144 25.040 1.182 -0.148 1.00 0.83 C ATOM 2061 CD LYS A 144 25.911 0.248 -0.976 1.00 1.10 C ATOM 2062 CE LYS A 144 26.939 -0.480 -0.116 1.00 1.57 C ATOM 2063 NZ LYS A 144 27.871 0.446 0.586 1.00 2.23 N ATOM 0 H LYS A 144 23.204 2.807 0.586 1.00 0.63 H new ATOM 0 HA LYS A 144 25.644 2.965 2.110 1.00 0.74 H new ATOM 0 HB2 LYS A 144 25.477 3.130 -0.895 1.00 0.84 H new ATOM 0 HB3 LYS A 144 26.743 2.439 0.100 1.00 0.84 H new ATOM 0 HG2 LYS A 144 24.874 0.745 0.836 1.00 0.83 H new ATOM 0 HG3 LYS A 144 24.063 1.281 -0.622 1.00 0.83 H new ATOM 0 HD2 LYS A 144 25.280 -0.482 -1.484 1.00 1.10 H new ATOM 0 HD3 LYS A 144 26.424 0.820 -1.749 1.00 1.10 H new ATOM 0 HE2 LYS A 144 26.420 -1.092 0.621 1.00 1.57 H new ATOM 0 HE3 LYS A 144 27.515 -1.159 -0.745 1.00 1.57 H new ATOM 0 HZ1 LYS A 144 28.617 -0.104 1.058 1.00 2.23 H new ATOM 0 HZ2 LYS A 144 28.302 1.094 -0.104 1.00 2.23 H new ATOM 0 HZ3 LYS A 144 27.345 0.996 1.295 1.00 2.23 H new ATOM 2077 N GLN A 145 24.438 5.605 0.720 1.00 0.70 N ATOM 2078 CA GLN A 145 24.615 7.049 0.692 1.00 0.74 C ATOM 2079 C GLN A 145 24.950 7.521 2.087 1.00 0.75 C ATOM 2080 O GLN A 145 25.776 8.408 2.293 1.00 0.84 O ATOM 2081 CB GLN A 145 23.354 7.762 0.216 1.00 0.71 C ATOM 2082 CG GLN A 145 22.792 7.182 -1.054 1.00 0.72 C ATOM 2083 CD GLN A 145 23.604 7.506 -2.290 1.00 0.94 C ATOM 2084 OE1 GLN A 145 24.825 7.668 -2.240 1.00 1.36 O ATOM 2085 NE2 GLN A 145 22.919 7.609 -3.414 1.00 1.27 N ATOM 0 H GLN A 145 23.498 5.282 0.489 1.00 0.70 H new ATOM 0 HA GLN A 145 25.419 7.284 -0.006 1.00 0.74 H new ATOM 0 HB2 GLN A 145 22.597 7.710 0.998 1.00 0.71 H new ATOM 0 HB3 GLN A 145 23.578 8.817 0.059 1.00 0.71 H new ATOM 0 HG2 GLN A 145 22.726 6.099 -0.949 1.00 0.72 H new ATOM 0 HG3 GLN A 145 21.776 7.552 -1.192 1.00 0.72 H new ATOM 0 HE21 GLN A 145 21.909 7.467 -3.411 1.00 1.27 H new ATOM 0 HE22 GLN A 145 23.400 7.830 -4.286 1.00 1.27 H new ATOM 2094 N LYS A 146 24.286 6.889 3.038 1.00 0.67 N ATOM 2095 CA LYS A 146 24.485 7.170 4.441 1.00 0.70 C ATOM 2096 C LYS A 146 25.763 6.509 4.952 1.00 0.84 C ATOM 2097 O LYS A 146 26.583 7.143 5.614 1.00 0.94 O ATOM 2098 CB LYS A 146 23.284 6.670 5.242 1.00 0.58 C ATOM 2099 CG LYS A 146 21.989 7.404 4.930 1.00 0.58 C ATOM 2100 CD LYS A 146 20.803 6.788 5.660 1.00 0.64 C ATOM 2101 CE LYS A 146 20.973 6.843 7.171 1.00 1.40 C ATOM 2102 NZ LYS A 146 21.019 8.239 7.684 1.00 1.73 N ATOM 0 H LYS A 146 23.592 6.164 2.854 1.00 0.67 H new ATOM 0 HA LYS A 146 24.583 8.248 4.568 1.00 0.70 H new ATOM 0 HB2 LYS A 146 23.145 5.607 5.045 1.00 0.58 H new ATOM 0 HB3 LYS A 146 23.501 6.771 6.305 1.00 0.58 H new ATOM 0 HG2 LYS A 146 22.087 8.452 5.214 1.00 0.58 H new ATOM 0 HG3 LYS A 146 21.807 7.381 3.856 1.00 0.58 H new ATOM 0 HD2 LYS A 146 19.891 7.314 5.378 1.00 0.64 H new ATOM 0 HD3 LYS A 146 20.683 5.751 5.346 1.00 0.64 H new ATOM 0 HE2 LYS A 146 20.149 6.311 7.647 1.00 1.40 H new ATOM 0 HE3 LYS A 146 21.891 6.325 7.450 1.00 1.40 H new ATOM 0 HZ1 LYS A 146 20.999 8.228 8.724 1.00 1.73 H new ATOM 0 HZ2 LYS A 146 21.893 8.699 7.359 1.00 1.73 H new ATOM 0 HZ3 LYS A 146 20.197 8.767 7.328 1.00 1.73 H new