USER MOD reduce.3.24.130724 H: found=0, std=0, add=1235, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1235 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 75 TYR OH : rot -12:sc= 1.02 USER MOD Set 1.2: A 135 LYS NZ :NH3+ -169:sc= 0.0321 (180deg=0) USER MOD Set 1.3: A 139 ASN : amide:sc= 0.00076 K(o=1.1,f=-0.29) USER MOD Set 2.1: A 130 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 131 LYS NZ :NH3+ -166:sc= 1.22 (180deg=1.14) USER MOD Set 3.1: A 106 GLN : amide:sc= -0.456 K(o=-0.073,f=-1.5) USER MOD Set 3.2: A 107 SER OG : rot 51:sc= 0.382 USER MOD Set 4.1: A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 84 GLN : amide:sc= 0.553 K(o=0.55,f=-0.016) USER MOD Set 5.1: A 34 THR OG1 : rot 180:sc= 0 USER MOD Set 5.2: A 56 ASN : amide:sc= -0.0307 X(o=-0.031,f=0) USER MOD Set 6.1: A 26 GLN : amide:sc= 0.649 K(o=1.2,f=0) USER MOD Set 6.2: A 36 GLN : amide:sc= 0.587 K(o=1.2,f=-0.00085) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ -143:sc= 0.0117 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 131:sc= 1.01 (180deg=0.651) USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -0.902 K(o=-0.9,f=-3.4) USER MOD Single : A 24 ASN : amide:sc= 0.108 X(o=0.11,f=0) USER MOD Single : A 31 ASN : amide:sc=-0.00271 K(o=-0.0027,f=-1.3) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -151:sc= -0.25 (180deg=-1.47!) USER MOD Single : A 61 TYR OH : rot 21:sc= 1.15 USER MOD Single : A 64 LYS NZ :NH3+ -159:sc= 1.26 (180deg=0.412) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 156:sc= 1.28 (180deg=1.05) USER MOD Single : A 72 THR OG1 : rot 86:sc= 0.263 USER MOD Single : A 73 LYS NZ :NH3+ -174:sc= 0.255 (180deg=0.143) USER MOD Single : A 76 HIS :FLIP no HD1:sc= -5.15! C(o=-6.9!,f=-5.1!) USER MOD Single : A 78 ASN : amide:sc= -1.39 K(o=-1.4,f=-7.4!) USER MOD Single : A 82 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0927) USER MOD Single : A 86 CYS SG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= -0.433 X(o=-0.43,f=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot 180:sc= -0.0528 USER MOD Single : A 100 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0348) USER MOD Single : A 101 THR OG1 : rot -166:sc= 1.8 USER MOD Single : A 103 GLN : amide:sc= -0.582 K(o=-0.58,f=-1.4) USER MOD Single : A 113 ASN : amide:sc= 1.47 K(o=1.5,f=-9.7!) USER MOD Single : A 116 GLN : amide:sc= -0.127 X(o=-0.13,f=0) USER MOD Single : A 119 HIS : no HD1:sc= -0.756 K(o=-0.76,f=-1.7) USER MOD Single : A 129 TYR OH : rot 180:sc= 0 USER MOD Single : A 134 LYS NZ :NH3+ 167:sc= -0.0138 (180deg=-0.148) USER MOD Single : A 137 CYS SG : rot 85:sc= 0.0743 USER MOD Single : A 138 LYS NZ :NH3+ 178:sc= 0.447 (180deg=0.445) USER MOD Single : A 144 THR OG1 : rot 83:sc= 0.645 USER MOD Single : A 145 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0423) USER MOD Single : A 146 LYS NZ :NH3+ -165:sc= 0.479 (180deg=-0.191) USER MOD Single : A 147 TYR OH : rot 180:sc= 0 USER MOD Single : A 150 LYS NZ :NH3+ -138:sc= 0.917 (180deg=-0.275) USER MOD ----------------------------------------------------------------- ATOM 30 N ALA A 3 -19.562 -0.668 8.066 1.00 0.38 N ATOM 31 CA ALA A 3 -18.442 -0.426 7.172 1.00 0.31 C ATOM 32 C ALA A 3 -18.387 -1.492 6.084 1.00 0.27 C ATOM 33 O ALA A 3 -18.272 -1.157 4.914 1.00 0.29 O ATOM 34 CB ALA A 3 -17.133 -0.398 7.967 1.00 0.35 C ATOM 0 HA ALA A 3 -18.579 0.543 6.692 1.00 0.31 H new ATOM 0 HB1 ALA A 3 -16.299 -0.216 7.289 1.00 0.35 H new ATOM 0 HB2 ALA A 3 -17.176 0.398 8.711 1.00 0.35 H new ATOM 0 HB3 ALA A 3 -16.991 -1.356 8.468 1.00 0.35 H new ATOM 40 N SER A 4 -18.493 -2.770 6.457 1.00 0.30 N ATOM 41 CA SER A 4 -18.302 -3.895 5.551 1.00 0.30 C ATOM 42 C SER A 4 -19.204 -3.794 4.328 1.00 0.33 C ATOM 43 O SER A 4 -18.815 -4.166 3.225 1.00 0.39 O ATOM 44 CB SER A 4 -18.514 -5.222 6.285 1.00 0.37 C ATOM 45 OG SER A 4 -19.871 -5.608 6.356 1.00 1.08 O ATOM 0 H SER A 4 -18.717 -3.052 7.411 1.00 0.30 H new ATOM 0 HA SER A 4 -17.272 -3.861 5.195 1.00 0.30 H new ATOM 0 HB2 SER A 4 -17.947 -6.004 5.780 1.00 0.37 H new ATOM 0 HB3 SER A 4 -18.113 -5.139 7.295 1.00 0.37 H new ATOM 0 HG SER A 4 -19.944 -6.461 6.833 1.00 1.08 H new ATOM 51 N ARG A 5 -20.419 -3.274 4.512 1.00 0.35 N ATOM 52 CA ARG A 5 -21.359 -3.150 3.406 1.00 0.43 C ATOM 53 C ARG A 5 -20.794 -2.213 2.358 1.00 0.43 C ATOM 54 O ARG A 5 -20.859 -2.491 1.161 1.00 0.54 O ATOM 55 CB ARG A 5 -22.710 -2.634 3.913 1.00 0.48 C ATOM 56 CG ARG A 5 -23.226 -3.491 5.073 1.00 0.93 C ATOM 57 CD ARG A 5 -24.711 -3.200 5.328 1.00 1.32 C ATOM 58 NE ARG A 5 -25.458 -4.434 5.627 1.00 1.85 N ATOM 59 CZ ARG A 5 -25.777 -5.378 4.727 1.00 2.42 C ATOM 60 NH1 ARG A 5 -26.411 -6.487 5.110 1.00 3.00 N ATOM 61 NH2 ARG A 5 -25.453 -5.216 3.443 1.00 3.15 N ATOM 0 H ARG A 5 -20.769 -2.936 5.409 1.00 0.35 H new ATOM 0 HA ARG A 5 -21.513 -4.131 2.957 1.00 0.43 H new ATOM 0 HB2 ARG A 5 -22.609 -1.599 4.238 1.00 0.48 H new ATOM 0 HB3 ARG A 5 -23.435 -2.643 3.099 1.00 0.48 H new ATOM 0 HG2 ARG A 5 -23.089 -4.548 4.843 1.00 0.93 H new ATOM 0 HG3 ARG A 5 -22.648 -3.284 5.973 1.00 0.93 H new ATOM 0 HD2 ARG A 5 -24.809 -2.503 6.160 1.00 1.32 H new ATOM 0 HD3 ARG A 5 -25.143 -2.714 4.453 1.00 1.32 H new ATOM 0 HE ARG A 5 -25.756 -4.583 6.591 1.00 1.85 H new ATOM 0 HH11 ARG A 5 -26.656 -6.621 6.091 1.00 3.00 H new ATOM 0 HH12 ARG A 5 -26.651 -7.201 4.422 1.00 3.00 H new ATOM 0 HH21 ARG A 5 -24.962 -4.374 3.143 1.00 3.15 H new ATOM 0 HH22 ARG A 5 -25.696 -5.934 2.761 1.00 3.15 H new ATOM 75 N ARG A 6 -20.243 -1.096 2.823 1.00 0.36 N ATOM 76 CA ARG A 6 -19.618 -0.142 1.934 1.00 0.40 C ATOM 77 C ARG A 6 -18.413 -0.805 1.296 1.00 0.43 C ATOM 78 O ARG A 6 -18.315 -0.805 0.085 1.00 0.66 O ATOM 79 CB ARG A 6 -19.254 1.149 2.664 1.00 0.38 C ATOM 80 CG ARG A 6 -20.473 1.781 3.346 1.00 0.42 C ATOM 81 CD ARG A 6 -20.051 2.889 4.312 1.00 1.31 C ATOM 82 NE ARG A 6 -20.119 4.247 3.743 1.00 1.30 N ATOM 83 CZ ARG A 6 -19.089 4.964 3.264 1.00 2.08 C ATOM 84 NH1 ARG A 6 -19.158 6.295 3.272 1.00 2.32 N ATOM 85 NH2 ARG A 6 -17.988 4.389 2.794 1.00 3.74 N ATOM 0 H ARG A 6 -20.220 -0.836 3.809 1.00 0.36 H new ATOM 0 HA ARG A 6 -20.318 0.151 1.151 1.00 0.40 H new ATOM 0 HB2 ARG A 6 -18.487 0.941 3.410 1.00 0.38 H new ATOM 0 HB3 ARG A 6 -18.825 1.858 1.956 1.00 0.38 H new ATOM 0 HG2 ARG A 6 -21.145 2.189 2.591 1.00 0.42 H new ATOM 0 HG3 ARG A 6 -21.029 1.015 3.887 1.00 0.42 H new ATOM 0 HD2 ARG A 6 -20.687 2.846 5.196 1.00 1.31 H new ATOM 0 HD3 ARG A 6 -19.031 2.697 4.643 1.00 1.31 H new ATOM 0 HE ARG A 6 -21.039 4.686 3.710 1.00 1.30 H new ATOM 0 HH11 ARG A 6 -19.988 6.760 3.640 1.00 2.32 H new ATOM 0 HH12 ARG A 6 -18.381 6.848 2.910 1.00 2.32 H new ATOM 0 HH21 ARG A 6 -17.906 3.372 2.789 1.00 3.74 H new ATOM 0 HH22 ARG A 6 -17.225 4.964 2.438 1.00 3.74 H new ATOM 99 N LEU A 7 -17.545 -1.431 2.086 1.00 0.31 N ATOM 100 CA LEU A 7 -16.283 -2.013 1.648 1.00 0.31 C ATOM 101 C LEU A 7 -16.487 -3.033 0.545 1.00 0.29 C ATOM 102 O LEU A 7 -15.664 -3.118 -0.353 1.00 0.29 O ATOM 103 CB LEU A 7 -15.576 -2.695 2.820 1.00 0.35 C ATOM 104 CG LEU A 7 -15.157 -1.699 3.904 1.00 0.42 C ATOM 105 CD1 LEU A 7 -14.869 -2.461 5.200 1.00 0.55 C ATOM 106 CD2 LEU A 7 -13.929 -0.886 3.504 1.00 0.48 C ATOM 0 H LEU A 7 -17.709 -1.550 3.086 1.00 0.31 H new ATOM 0 HA LEU A 7 -15.672 -1.197 1.263 1.00 0.31 H new ATOM 0 HB2 LEU A 7 -16.238 -3.444 3.254 1.00 0.35 H new ATOM 0 HB3 LEU A 7 -14.695 -3.222 2.453 1.00 0.35 H new ATOM 0 HG LEU A 7 -15.978 -0.996 4.045 1.00 0.42 H new ATOM 0 HD11 LEU A 7 -14.570 -1.757 5.977 1.00 0.55 H new ATOM 0 HD12 LEU A 7 -15.767 -2.992 5.517 1.00 0.55 H new ATOM 0 HD13 LEU A 7 -14.065 -3.177 5.030 1.00 0.55 H new ATOM 0 HD21 LEU A 7 -13.673 -0.195 4.307 1.00 0.48 H new ATOM 0 HD22 LEU A 7 -13.091 -1.559 3.323 1.00 0.48 H new ATOM 0 HD23 LEU A 7 -14.145 -0.323 2.596 1.00 0.48 H new ATOM 118 N MET A 8 -17.549 -3.830 0.606 1.00 0.35 N ATOM 119 CA MET A 8 -17.869 -4.779 -0.448 1.00 0.35 C ATOM 120 C MET A 8 -18.138 -4.019 -1.741 1.00 0.31 C ATOM 121 O MET A 8 -17.580 -4.353 -2.783 1.00 0.30 O ATOM 122 CB MET A 8 -19.071 -5.623 -0.002 1.00 0.41 C ATOM 123 CG MET A 8 -19.557 -6.589 -1.087 1.00 0.51 C ATOM 124 SD MET A 8 -21.188 -7.305 -0.738 1.00 1.61 S ATOM 125 CE MET A 8 -20.852 -9.026 -1.199 1.00 1.98 C ATOM 0 H MET A 8 -18.208 -3.835 1.385 1.00 0.35 H new ATOM 0 HA MET A 8 -17.036 -5.457 -0.636 1.00 0.35 H new ATOM 0 HB2 MET A 8 -18.799 -6.191 0.888 1.00 0.41 H new ATOM 0 HB3 MET A 8 -19.889 -4.960 0.280 1.00 0.41 H new ATOM 0 HG2 MET A 8 -19.596 -6.062 -2.041 1.00 0.51 H new ATOM 0 HG3 MET A 8 -18.831 -7.395 -1.197 1.00 0.51 H new ATOM 0 HE1 MET A 8 -21.750 -9.625 -1.049 1.00 1.98 H new ATOM 0 HE2 MET A 8 -20.556 -9.071 -2.247 1.00 1.98 H new ATOM 0 HE3 MET A 8 -20.047 -9.418 -0.578 1.00 1.98 H new ATOM 135 N LYS A 9 -19.004 -3.003 -1.686 1.00 0.32 N ATOM 136 CA LYS A 9 -19.339 -2.251 -2.897 1.00 0.33 C ATOM 137 C LYS A 9 -18.102 -1.559 -3.460 1.00 0.31 C ATOM 138 O LYS A 9 -17.819 -1.671 -4.646 1.00 0.35 O ATOM 139 CB LYS A 9 -20.475 -1.254 -2.619 1.00 0.48 C ATOM 140 CG LYS A 9 -21.827 -1.841 -3.043 1.00 1.81 C ATOM 141 CD LYS A 9 -22.175 -3.138 -2.306 1.00 2.52 C ATOM 142 CE LYS A 9 -23.408 -3.765 -2.959 1.00 3.64 C ATOM 143 NZ LYS A 9 -23.705 -5.098 -2.391 1.00 5.50 N ATOM 0 H LYS A 9 -19.475 -2.688 -0.838 1.00 0.32 H new ATOM 0 HA LYS A 9 -19.695 -2.949 -3.654 1.00 0.33 H new ATOM 0 HB2 LYS A 9 -20.497 -1.007 -1.558 1.00 0.48 H new ATOM 0 HB3 LYS A 9 -20.291 -0.325 -3.159 1.00 0.48 H new ATOM 0 HG2 LYS A 9 -22.610 -1.105 -2.860 1.00 1.81 H new ATOM 0 HG3 LYS A 9 -21.813 -2.032 -4.116 1.00 1.81 H new ATOM 0 HD2 LYS A 9 -21.334 -3.831 -2.345 1.00 2.52 H new ATOM 0 HD3 LYS A 9 -22.370 -2.933 -1.253 1.00 2.52 H new ATOM 0 HE2 LYS A 9 -24.268 -3.109 -2.820 1.00 3.64 H new ATOM 0 HE3 LYS A 9 -23.246 -3.854 -4.033 1.00 3.64 H new ATOM 0 HZ1 LYS A 9 -24.047 -5.728 -3.144 1.00 5.50 H new ATOM 0 HZ2 LYS A 9 -22.841 -5.497 -1.972 1.00 5.50 H new ATOM 0 HZ3 LYS A 9 -24.436 -5.007 -1.657 1.00 5.50 H new ATOM 157 N GLU A 10 -17.374 -0.853 -2.602 1.00 0.29 N ATOM 158 CA GLU A 10 -16.156 -0.124 -2.887 1.00 0.34 C ATOM 159 C GLU A 10 -15.160 -1.053 -3.556 1.00 0.27 C ATOM 160 O GLU A 10 -14.645 -0.717 -4.605 1.00 0.38 O ATOM 161 CB GLU A 10 -15.574 0.430 -1.581 1.00 0.44 C ATOM 162 CG GLU A 10 -16.419 1.574 -1.001 1.00 0.68 C ATOM 163 CD GLU A 10 -16.072 1.879 0.462 1.00 2.56 C ATOM 164 OE1 GLU A 10 -15.073 1.321 0.965 1.00 3.84 O ATOM 165 OE2 GLU A 10 -16.820 2.673 1.077 1.00 3.12 O ATOM 0 H GLU A 10 -17.644 -0.773 -1.622 1.00 0.29 H new ATOM 0 HA GLU A 10 -16.371 0.708 -3.557 1.00 0.34 H new ATOM 0 HB2 GLU A 10 -15.504 -0.374 -0.848 1.00 0.44 H new ATOM 0 HB3 GLU A 10 -14.560 0.786 -1.761 1.00 0.44 H new ATOM 0 HG2 GLU A 10 -16.270 2.472 -1.601 1.00 0.68 H new ATOM 0 HG3 GLU A 10 -17.475 1.314 -1.074 1.00 0.68 H new ATOM 172 N LEU A 11 -14.886 -2.214 -2.965 1.00 0.24 N ATOM 173 CA LEU A 11 -13.919 -3.181 -3.460 1.00 0.23 C ATOM 174 C LEU A 11 -14.275 -3.620 -4.859 1.00 0.26 C ATOM 175 O LEU A 11 -13.404 -3.680 -5.724 1.00 0.28 O ATOM 176 CB LEU A 11 -13.880 -4.402 -2.540 1.00 0.22 C ATOM 177 CG LEU A 11 -12.736 -5.352 -2.924 1.00 0.20 C ATOM 178 CD1 LEU A 11 -12.247 -6.017 -1.648 1.00 0.29 C ATOM 179 CD2 LEU A 11 -13.167 -6.442 -3.911 1.00 0.27 C ATOM 0 H LEU A 11 -15.345 -2.513 -2.105 1.00 0.24 H new ATOM 0 HA LEU A 11 -12.938 -2.705 -3.477 1.00 0.23 H new ATOM 0 HB2 LEU A 11 -13.755 -4.078 -1.507 1.00 0.22 H new ATOM 0 HB3 LEU A 11 -14.831 -4.933 -2.595 1.00 0.22 H new ATOM 0 HG LEU A 11 -11.959 -4.767 -3.416 1.00 0.20 H new ATOM 0 HD11 LEU A 11 -11.432 -6.701 -1.884 1.00 0.29 H new ATOM 0 HD12 LEU A 11 -11.893 -5.255 -0.954 1.00 0.29 H new ATOM 0 HD13 LEU A 11 -13.066 -6.572 -1.190 1.00 0.29 H new ATOM 0 HD21 LEU A 11 -12.315 -7.081 -4.143 1.00 0.27 H new ATOM 0 HD22 LEU A 11 -13.960 -7.043 -3.466 1.00 0.27 H new ATOM 0 HD23 LEU A 11 -13.533 -5.979 -4.827 1.00 0.27 H new ATOM 191 N GLU A 12 -15.539 -3.966 -5.077 1.00 0.26 N ATOM 192 CA GLU A 12 -15.965 -4.359 -6.406 1.00 0.32 C ATOM 193 C GLU A 12 -15.678 -3.217 -7.388 1.00 0.34 C ATOM 194 O GLU A 12 -15.098 -3.449 -8.445 1.00 0.37 O ATOM 195 CB GLU A 12 -17.429 -4.808 -6.388 1.00 0.36 C ATOM 196 CG GLU A 12 -17.784 -5.376 -7.766 1.00 0.46 C ATOM 197 CD GLU A 12 -19.137 -6.084 -7.833 1.00 0.78 C ATOM 198 OE1 GLU A 12 -19.834 -6.170 -6.800 1.00 1.27 O ATOM 199 OE2 GLU A 12 -19.438 -6.533 -8.965 1.00 1.61 O ATOM 0 H GLU A 12 -16.269 -3.981 -4.365 1.00 0.26 H new ATOM 0 HA GLU A 12 -15.397 -5.223 -6.750 1.00 0.32 H new ATOM 0 HB2 GLU A 12 -17.584 -5.563 -5.617 1.00 0.36 H new ATOM 0 HB3 GLU A 12 -18.079 -3.967 -6.146 1.00 0.36 H new ATOM 0 HG2 GLU A 12 -17.778 -4.563 -8.492 1.00 0.46 H new ATOM 0 HG3 GLU A 12 -17.006 -6.078 -8.067 1.00 0.46 H new ATOM 206 N GLU A 13 -16.018 -1.985 -7.007 1.00 0.35 N ATOM 207 CA GLU A 13 -15.725 -0.762 -7.750 1.00 0.41 C ATOM 208 C GLU A 13 -14.233 -0.658 -8.066 1.00 0.36 C ATOM 209 O GLU A 13 -13.860 -0.367 -9.196 1.00 0.38 O ATOM 210 CB GLU A 13 -16.202 0.458 -6.937 1.00 0.51 C ATOM 211 CG GLU A 13 -17.235 1.311 -7.681 1.00 0.95 C ATOM 212 CD GLU A 13 -16.560 2.436 -8.462 1.00 2.57 C ATOM 213 OE1 GLU A 13 -16.479 2.304 -9.702 1.00 3.41 O ATOM 214 OE2 GLU A 13 -16.135 3.409 -7.793 1.00 4.14 O ATOM 0 H GLU A 13 -16.524 -1.807 -6.140 1.00 0.35 H new ATOM 0 HA GLU A 13 -16.259 -0.787 -8.700 1.00 0.41 H new ATOM 0 HB2 GLU A 13 -16.633 0.114 -5.997 1.00 0.51 H new ATOM 0 HB3 GLU A 13 -15.342 1.078 -6.685 1.00 0.51 H new ATOM 0 HG2 GLU A 13 -17.806 0.682 -8.364 1.00 0.95 H new ATOM 0 HG3 GLU A 13 -17.943 1.733 -6.968 1.00 0.95 H new ATOM 221 N ILE A 14 -13.368 -0.907 -7.082 1.00 0.33 N ATOM 222 CA ILE A 14 -11.925 -0.811 -7.210 1.00 0.31 C ATOM 223 C ILE A 14 -11.490 -1.768 -8.310 1.00 0.30 C ATOM 224 O ILE A 14 -10.868 -1.374 -9.296 1.00 0.32 O ATOM 225 CB ILE A 14 -11.248 -1.080 -5.842 1.00 0.25 C ATOM 226 CG1 ILE A 14 -11.479 0.152 -4.950 1.00 0.32 C ATOM 227 CG2 ILE A 14 -9.736 -1.304 -6.005 1.00 0.29 C ATOM 228 CD1 ILE A 14 -10.763 0.040 -3.604 1.00 0.27 C ATOM 0 H ILE A 14 -13.668 -1.189 -6.149 1.00 0.33 H new ATOM 0 HA ILE A 14 -11.612 0.193 -7.496 1.00 0.31 H new ATOM 0 HB ILE A 14 -11.678 -1.978 -5.399 1.00 0.25 H new ATOM 0 HG12 ILE A 14 -11.131 1.044 -5.470 1.00 0.32 H new ATOM 0 HG13 ILE A 14 -12.548 0.279 -4.780 1.00 0.32 H new ATOM 0 HG21 ILE A 14 -9.288 -1.490 -5.029 1.00 0.29 H new ATOM 0 HG22 ILE A 14 -9.563 -2.163 -6.653 1.00 0.29 H new ATOM 0 HG23 ILE A 14 -9.283 -0.418 -6.449 1.00 0.29 H new ATOM 0 HD11 ILE A 14 -10.958 0.935 -3.013 1.00 0.27 H new ATOM 0 HD12 ILE A 14 -11.129 -0.836 -3.069 1.00 0.27 H new ATOM 0 HD13 ILE A 14 -9.690 -0.059 -3.770 1.00 0.27 H new ATOM 240 N ARG A 15 -11.825 -3.044 -8.157 1.00 0.31 N ATOM 241 CA ARG A 15 -11.371 -4.073 -9.073 1.00 0.34 C ATOM 242 C ARG A 15 -11.844 -3.755 -10.496 1.00 0.31 C ATOM 243 O ARG A 15 -11.054 -3.853 -11.437 1.00 0.33 O ATOM 244 CB ARG A 15 -11.848 -5.435 -8.553 1.00 0.44 C ATOM 245 CG ARG A 15 -10.933 -6.543 -9.073 1.00 1.06 C ATOM 246 CD ARG A 15 -11.280 -7.886 -8.418 1.00 0.82 C ATOM 247 NE ARG A 15 -11.561 -8.927 -9.416 1.00 1.09 N ATOM 248 CZ ARG A 15 -12.036 -10.147 -9.131 1.00 1.14 C ATOM 249 NH1 ARG A 15 -12.331 -10.994 -10.118 1.00 1.81 N ATOM 250 NH2 ARG A 15 -12.218 -10.514 -7.862 1.00 1.46 N ATOM 0 H ARG A 15 -12.415 -3.388 -7.399 1.00 0.31 H new ATOM 0 HA ARG A 15 -10.283 -4.107 -9.122 1.00 0.34 H new ATOM 0 HB2 ARG A 15 -11.851 -5.436 -7.463 1.00 0.44 H new ATOM 0 HB3 ARG A 15 -12.873 -5.618 -8.875 1.00 0.44 H new ATOM 0 HG2 ARG A 15 -11.032 -6.625 -10.155 1.00 1.06 H new ATOM 0 HG3 ARG A 15 -9.893 -6.290 -8.866 1.00 1.06 H new ATOM 0 HD2 ARG A 15 -10.453 -8.205 -7.784 1.00 0.82 H new ATOM 0 HD3 ARG A 15 -12.148 -7.760 -7.770 1.00 0.82 H new ATOM 0 HE ARG A 15 -11.382 -8.705 -10.395 1.00 1.09 H new ATOM 0 HH11 ARG A 15 -12.195 -10.713 -11.089 1.00 1.81 H new ATOM 0 HH12 ARG A 15 -12.693 -11.923 -9.902 1.00 1.81 H new ATOM 0 HH21 ARG A 15 -11.996 -9.866 -7.107 1.00 1.46 H new ATOM 0 HH22 ARG A 15 -12.580 -11.443 -7.647 1.00 1.46 H new ATOM 264 N LYS A 16 -13.114 -3.359 -10.642 1.00 0.33 N ATOM 265 CA LYS A 16 -13.731 -2.966 -11.911 1.00 0.36 C ATOM 266 C LYS A 16 -13.100 -1.700 -12.487 1.00 0.39 C ATOM 267 O LYS A 16 -13.069 -1.559 -13.705 1.00 0.43 O ATOM 268 CB LYS A 16 -15.247 -2.753 -11.744 1.00 0.36 C ATOM 269 CG LYS A 16 -16.081 -4.001 -12.068 1.00 0.52 C ATOM 270 CD LYS A 16 -15.813 -5.187 -11.134 1.00 1.07 C ATOM 271 CE LYS A 16 -16.683 -6.398 -11.489 1.00 1.41 C ATOM 272 NZ LYS A 16 -18.121 -6.143 -11.251 1.00 2.28 N ATOM 0 H LYS A 16 -13.760 -3.302 -9.854 1.00 0.33 H new ATOM 0 HA LYS A 16 -13.555 -3.784 -12.610 1.00 0.36 H new ATOM 0 HB2 LYS A 16 -15.452 -2.445 -10.719 1.00 0.36 H new ATOM 0 HB3 LYS A 16 -15.564 -1.936 -12.391 1.00 0.36 H new ATOM 0 HG2 LYS A 16 -17.139 -3.743 -12.017 1.00 0.52 H new ATOM 0 HG3 LYS A 16 -15.877 -4.306 -13.094 1.00 0.52 H new ATOM 0 HD2 LYS A 16 -14.761 -5.465 -11.193 1.00 1.07 H new ATOM 0 HD3 LYS A 16 -16.007 -4.889 -10.104 1.00 1.07 H new ATOM 0 HE2 LYS A 16 -16.531 -6.658 -12.536 1.00 1.41 H new ATOM 0 HE3 LYS A 16 -16.365 -7.257 -10.898 1.00 1.41 H new ATOM 0 HZ1 LYS A 16 -18.667 -6.425 -12.090 1.00 2.28 H new ATOM 0 HZ2 LYS A 16 -18.440 -6.695 -10.429 1.00 2.28 H new ATOM 0 HZ3 LYS A 16 -18.268 -5.130 -11.066 1.00 2.28 H new ATOM 286 N CYS A 17 -12.593 -0.793 -11.651 1.00 0.38 N ATOM 287 CA CYS A 17 -11.964 0.441 -12.105 1.00 0.40 C ATOM 288 C CYS A 17 -10.750 0.067 -12.951 1.00 0.35 C ATOM 289 O CYS A 17 -10.451 0.708 -13.956 1.00 0.40 O ATOM 290 CB CYS A 17 -11.563 1.283 -10.884 1.00 0.42 C ATOM 291 SG CYS A 17 -10.923 2.902 -11.391 1.00 0.88 S ATOM 0 H CYS A 17 -12.609 -0.897 -10.636 1.00 0.38 H new ATOM 0 HA CYS A 17 -12.648 1.036 -12.709 1.00 0.40 H new ATOM 0 HB2 CYS A 17 -12.426 1.417 -10.232 1.00 0.42 H new ATOM 0 HB3 CYS A 17 -10.806 0.754 -10.306 1.00 0.42 H new ATOM 0 HG CYS A 17 -10.596 3.589 -10.337 1.00 0.88 H new ATOM 297 N GLY A 18 -10.078 -1.015 -12.561 1.00 0.29 N ATOM 298 CA GLY A 18 -9.073 -1.649 -13.381 1.00 0.28 C ATOM 299 C GLY A 18 -7.934 -2.052 -12.478 1.00 0.25 C ATOM 300 O GLY A 18 -6.986 -1.287 -12.318 1.00 0.27 O ATOM 0 H GLY A 18 -10.224 -1.471 -11.660 1.00 0.29 H new ATOM 0 HA2 GLY A 18 -9.487 -2.521 -13.888 1.00 0.28 H new ATOM 0 HA3 GLY A 18 -8.724 -0.966 -14.156 1.00 0.28 H new ATOM 304 N MET A 19 -8.026 -3.239 -11.873 1.00 0.29 N ATOM 305 CA MET A 19 -6.944 -3.770 -11.058 1.00 0.30 C ATOM 306 C MET A 19 -5.693 -4.014 -11.899 1.00 0.28 C ATOM 307 O MET A 19 -5.439 -5.121 -12.355 1.00 0.34 O ATOM 308 CB MET A 19 -7.366 -5.035 -10.310 1.00 0.45 C ATOM 309 CG MET A 19 -8.004 -6.132 -11.171 1.00 0.67 C ATOM 310 SD MET A 19 -8.042 -7.746 -10.344 1.00 1.37 S ATOM 311 CE MET A 19 -8.375 -8.803 -11.776 1.00 1.82 C ATOM 0 H MET A 19 -8.842 -3.847 -11.936 1.00 0.29 H new ATOM 0 HA MET A 19 -6.702 -3.018 -10.307 1.00 0.30 H new ATOM 0 HB2 MET A 19 -6.490 -5.451 -9.814 1.00 0.45 H new ATOM 0 HB3 MET A 19 -8.072 -4.755 -9.528 1.00 0.45 H new ATOM 0 HG2 MET A 19 -9.021 -5.838 -11.430 1.00 0.67 H new ATOM 0 HG3 MET A 19 -7.450 -6.221 -12.106 1.00 0.67 H new ATOM 0 HE1 MET A 19 -8.433 -9.843 -11.455 1.00 1.82 H new ATOM 0 HE2 MET A 19 -9.321 -8.511 -12.232 1.00 1.82 H new ATOM 0 HE3 MET A 19 -7.572 -8.692 -12.505 1.00 1.82 H new ATOM 321 N LYS A 20 -4.892 -2.971 -12.081 1.00 0.29 N ATOM 322 CA LYS A 20 -3.613 -3.009 -12.773 1.00 0.33 C ATOM 323 C LYS A 20 -2.514 -2.970 -11.724 1.00 0.36 C ATOM 324 O LYS A 20 -1.687 -3.873 -11.647 1.00 0.56 O ATOM 325 CB LYS A 20 -3.545 -1.865 -13.800 1.00 0.33 C ATOM 326 CG LYS A 20 -3.683 -0.464 -13.181 1.00 2.45 C ATOM 327 CD LYS A 20 -4.114 0.591 -14.195 1.00 2.75 C ATOM 328 CE LYS A 20 -3.004 0.829 -15.225 1.00 2.88 C ATOM 329 NZ LYS A 20 -3.309 1.980 -16.102 1.00 3.71 N ATOM 0 H LYS A 20 -5.126 -2.040 -11.736 1.00 0.29 H new ATOM 0 HA LYS A 20 -3.484 -3.926 -13.348 1.00 0.33 H new ATOM 0 HB2 LYS A 20 -2.596 -1.924 -14.333 1.00 0.33 H new ATOM 0 HB3 LYS A 20 -4.335 -2.005 -14.538 1.00 0.33 H new ATOM 0 HG2 LYS A 20 -4.410 -0.500 -12.370 1.00 2.45 H new ATOM 0 HG3 LYS A 20 -2.730 -0.171 -12.741 1.00 2.45 H new ATOM 0 HD2 LYS A 20 -5.024 0.268 -14.700 1.00 2.75 H new ATOM 0 HD3 LYS A 20 -4.348 1.524 -13.682 1.00 2.75 H new ATOM 0 HE2 LYS A 20 -2.060 1.005 -14.709 1.00 2.88 H new ATOM 0 HE3 LYS A 20 -2.873 -0.067 -15.832 1.00 2.88 H new ATOM 0 HZ1 LYS A 20 -2.536 2.110 -16.785 1.00 3.71 H new ATOM 0 HZ2 LYS A 20 -4.197 1.801 -16.613 1.00 3.71 H new ATOM 0 HZ3 LYS A 20 -3.409 2.839 -15.525 1.00 3.71 H new ATOM 343 N ASN A 21 -2.576 -1.959 -10.860 1.00 0.52 N ATOM 344 CA ASN A 21 -1.567 -1.680 -9.856 1.00 0.47 C ATOM 345 C ASN A 21 -1.995 -2.203 -8.495 1.00 0.38 C ATOM 346 O ASN A 21 -1.301 -1.989 -7.511 1.00 0.33 O ATOM 347 CB ASN A 21 -1.314 -0.173 -9.794 1.00 0.46 C ATOM 348 CG ASN A 21 -0.490 0.283 -10.995 1.00 0.75 C ATOM 349 OD1 ASN A 21 -0.434 -0.400 -12.011 1.00 2.15 O ATOM 350 ND2 ASN A 21 0.110 1.455 -10.921 1.00 0.97 N ATOM 0 H ASN A 21 -3.352 -1.297 -10.843 1.00 0.52 H new ATOM 0 HA ASN A 21 -0.644 -2.190 -10.133 1.00 0.47 H new ATOM 0 HB2 ASN A 21 -2.264 0.360 -9.775 1.00 0.46 H new ATOM 0 HB3 ASN A 21 -0.790 0.076 -8.871 1.00 0.46 H new ATOM 0 HD21 ASN A 21 0.635 1.811 -11.720 1.00 0.97 H new ATOM 0 HD22 ASN A 21 0.049 2.006 -10.065 1.00 0.97 H new ATOM 357 N PHE A 22 -3.136 -2.881 -8.418 1.00 0.44 N ATOM 358 CA PHE A 22 -3.704 -3.364 -7.177 1.00 0.37 C ATOM 359 C PHE A 22 -4.463 -4.636 -7.519 1.00 0.55 C ATOM 360 O PHE A 22 -5.672 -4.625 -7.730 1.00 1.18 O ATOM 361 CB PHE A 22 -4.575 -2.267 -6.554 1.00 0.22 C ATOM 362 CG PHE A 22 -5.470 -1.506 -7.515 1.00 0.18 C ATOM 363 CD1 PHE A 22 -6.785 -1.935 -7.765 1.00 0.23 C ATOM 364 CD2 PHE A 22 -4.972 -0.367 -8.176 1.00 0.28 C ATOM 365 CE1 PHE A 22 -7.579 -1.243 -8.695 1.00 0.30 C ATOM 366 CE2 PHE A 22 -5.771 0.328 -9.098 1.00 0.36 C ATOM 367 CZ PHE A 22 -7.077 -0.114 -9.362 1.00 0.35 C ATOM 0 H PHE A 22 -3.698 -3.112 -9.237 1.00 0.44 H new ATOM 0 HA PHE A 22 -2.952 -3.601 -6.424 1.00 0.37 H new ATOM 0 HB2 PHE A 22 -5.202 -2.720 -5.786 1.00 0.22 H new ATOM 0 HB3 PHE A 22 -3.922 -1.552 -6.053 1.00 0.22 H new ATOM 0 HD1 PHE A 22 -7.184 -2.793 -7.244 1.00 0.23 H new ATOM 0 HD2 PHE A 22 -3.968 -0.025 -7.972 1.00 0.28 H new ATOM 0 HE1 PHE A 22 -8.584 -1.582 -8.899 1.00 0.30 H new ATOM 0 HE2 PHE A 22 -5.382 1.200 -9.603 1.00 0.36 H new ATOM 0 HZ PHE A 22 -7.693 0.412 -10.076 1.00 0.35 H new ATOM 377 N ARG A 23 -3.733 -5.737 -7.658 1.00 0.26 N ATOM 378 CA ARG A 23 -4.308 -6.999 -8.088 1.00 0.30 C ATOM 379 C ARG A 23 -4.362 -7.915 -6.882 1.00 0.32 C ATOM 380 O ARG A 23 -3.968 -7.538 -5.780 1.00 0.29 O ATOM 381 CB ARG A 23 -3.464 -7.614 -9.216 1.00 0.40 C ATOM 382 CG ARG A 23 -3.521 -6.816 -10.524 1.00 0.84 C ATOM 383 CD ARG A 23 -2.714 -7.593 -11.572 1.00 1.58 C ATOM 384 NE ARG A 23 -2.477 -6.889 -12.842 1.00 2.88 N ATOM 385 CZ ARG A 23 -3.268 -6.920 -13.922 1.00 3.43 C ATOM 386 NH1 ARG A 23 -2.767 -6.647 -15.119 1.00 4.71 N ATOM 387 NH2 ARG A 23 -4.559 -7.217 -13.811 1.00 3.53 N ATOM 0 H ARG A 23 -2.730 -5.777 -7.476 1.00 0.26 H new ATOM 0 HA ARG A 23 -5.313 -6.849 -8.484 1.00 0.30 H new ATOM 0 HB2 ARG A 23 -2.427 -7.684 -8.887 1.00 0.40 H new ATOM 0 HB3 ARG A 23 -3.808 -8.631 -9.404 1.00 0.40 H new ATOM 0 HG2 ARG A 23 -4.553 -6.689 -10.851 1.00 0.84 H new ATOM 0 HG3 ARG A 23 -3.106 -5.818 -10.383 1.00 0.84 H new ATOM 0 HD2 ARG A 23 -1.750 -7.858 -11.139 1.00 1.58 H new ATOM 0 HD3 ARG A 23 -3.234 -8.526 -11.786 1.00 1.58 H new ATOM 0 HE ARG A 23 -1.630 -6.324 -12.906 1.00 2.88 H new ATOM 0 HH11 ARG A 23 -1.779 -6.413 -15.217 1.00 4.71 H new ATOM 0 HH12 ARG A 23 -3.370 -6.671 -15.942 1.00 4.71 H new ATOM 0 HH21 ARG A 23 -4.958 -7.425 -12.895 1.00 3.53 H new ATOM 0 HH22 ARG A 23 -5.151 -7.237 -14.641 1.00 3.53 H new ATOM 401 N ASN A 24 -4.854 -9.136 -7.082 1.00 0.38 N ATOM 402 CA ASN A 24 -4.935 -10.101 -5.999 1.00 0.28 C ATOM 403 C ASN A 24 -5.764 -9.538 -4.842 1.00 0.26 C ATOM 404 O ASN A 24 -5.551 -9.936 -3.703 1.00 0.35 O ATOM 405 CB ASN A 24 -3.503 -10.482 -5.587 1.00 0.32 C ATOM 406 CG ASN A 24 -3.356 -11.962 -5.314 1.00 0.64 C ATOM 407 OD1 ASN A 24 -2.768 -12.685 -6.106 1.00 1.77 O ATOM 408 ND2 ASN A 24 -3.883 -12.438 -4.202 1.00 1.13 N ATOM 0 H ASN A 24 -5.199 -9.475 -7.980 1.00 0.38 H new ATOM 0 HA ASN A 24 -5.449 -11.007 -6.320 1.00 0.28 H new ATOM 0 HB2 ASN A 24 -2.811 -10.191 -6.377 1.00 0.32 H new ATOM 0 HB3 ASN A 24 -3.223 -9.921 -4.695 1.00 0.32 H new ATOM 0 HD21 ASN A 24 -3.805 -13.432 -3.985 1.00 1.13 H new ATOM 0 HD22 ASN A 24 -4.368 -11.812 -3.559 1.00 1.13 H new ATOM 415 N ILE A 25 -6.691 -8.618 -5.147 1.00 0.22 N ATOM 416 CA ILE A 25 -7.632 -8.023 -4.210 1.00 0.19 C ATOM 417 C ILE A 25 -8.502 -9.175 -3.709 1.00 0.24 C ATOM 418 O ILE A 25 -9.153 -9.844 -4.514 1.00 0.29 O ATOM 419 CB ILE A 25 -8.422 -6.883 -4.925 1.00 0.17 C ATOM 420 CG1 ILE A 25 -7.918 -5.503 -4.460 1.00 0.21 C ATOM 421 CG2 ILE A 25 -9.944 -6.940 -4.725 1.00 0.31 C ATOM 422 CD1 ILE A 25 -8.660 -4.344 -5.118 1.00 0.22 C ATOM 0 H ILE A 25 -6.803 -8.259 -6.095 1.00 0.22 H new ATOM 0 HA ILE A 25 -7.157 -7.545 -3.353 1.00 0.19 H new ATOM 0 HB ILE A 25 -8.234 -7.036 -5.988 1.00 0.17 H new ATOM 0 HG12 ILE A 25 -8.026 -5.429 -3.378 1.00 0.21 H new ATOM 0 HG13 ILE A 25 -6.854 -5.418 -4.681 1.00 0.21 H new ATOM 0 HG21 ILE A 25 -10.412 -6.111 -5.256 1.00 0.31 H new ATOM 0 HG22 ILE A 25 -10.327 -7.883 -5.115 1.00 0.31 H new ATOM 0 HG23 ILE A 25 -10.174 -6.866 -3.662 1.00 0.31 H new ATOM 0 HD11 ILE A 25 -8.259 -3.400 -4.750 1.00 0.22 H new ATOM 0 HD12 ILE A 25 -8.531 -4.396 -6.199 1.00 0.22 H new ATOM 0 HD13 ILE A 25 -9.721 -4.407 -4.876 1.00 0.22 H new ATOM 434 N GLN A 26 -8.497 -9.436 -2.401 1.00 0.24 N ATOM 435 CA GLN A 26 -9.345 -10.454 -1.803 1.00 0.27 C ATOM 436 C GLN A 26 -9.879 -9.915 -0.484 1.00 0.26 C ATOM 437 O GLN A 26 -9.294 -9.014 0.121 1.00 0.27 O ATOM 438 CB GLN A 26 -8.622 -11.796 -1.594 1.00 0.34 C ATOM 439 CG GLN A 26 -7.461 -12.032 -2.563 1.00 0.30 C ATOM 440 CD GLN A 26 -7.054 -13.496 -2.625 1.00 0.43 C ATOM 441 OE1 GLN A 26 -7.244 -14.162 -3.634 1.00 1.71 O ATOM 442 NE2 GLN A 26 -6.478 -14.032 -1.560 1.00 1.59 N ATOM 0 H GLN A 26 -7.904 -8.945 -1.732 1.00 0.24 H new ATOM 0 HA GLN A 26 -10.163 -10.666 -2.492 1.00 0.27 H new ATOM 0 HB2 GLN A 26 -8.244 -11.839 -0.572 1.00 0.34 H new ATOM 0 HB3 GLN A 26 -9.343 -12.607 -1.702 1.00 0.34 H new ATOM 0 HG2 GLN A 26 -7.747 -11.693 -3.559 1.00 0.30 H new ATOM 0 HG3 GLN A 26 -6.605 -11.431 -2.255 1.00 0.30 H new ATOM 0 HE21 GLN A 26 -6.325 -13.467 -0.725 1.00 1.59 H new ATOM 0 HE22 GLN A 26 -6.188 -15.010 -1.575 1.00 1.59 H new ATOM 451 N VAL A 27 -10.998 -10.483 -0.049 1.00 0.29 N ATOM 452 CA VAL A 27 -11.722 -10.063 1.131 1.00 0.31 C ATOM 453 C VAL A 27 -12.210 -11.362 1.770 1.00 0.38 C ATOM 454 O VAL A 27 -12.612 -12.271 1.045 1.00 0.48 O ATOM 455 CB VAL A 27 -12.822 -9.085 0.669 1.00 0.33 C ATOM 456 CG1 VAL A 27 -14.070 -9.768 0.096 1.00 0.52 C ATOM 457 CG2 VAL A 27 -13.233 -8.125 1.777 1.00 0.35 C ATOM 0 H VAL A 27 -11.434 -11.272 -0.527 1.00 0.29 H new ATOM 0 HA VAL A 27 -11.149 -9.518 1.881 1.00 0.31 H new ATOM 0 HB VAL A 27 -12.360 -8.526 -0.145 1.00 0.33 H new ATOM 0 HG11 VAL A 27 -14.794 -9.010 -0.205 1.00 0.52 H new ATOM 0 HG12 VAL A 27 -13.791 -10.368 -0.770 1.00 0.52 H new ATOM 0 HG13 VAL A 27 -14.513 -10.412 0.855 1.00 0.52 H new ATOM 0 HG21 VAL A 27 -14.009 -7.455 1.408 1.00 0.35 H new ATOM 0 HG22 VAL A 27 -13.616 -8.692 2.626 1.00 0.35 H new ATOM 0 HG23 VAL A 27 -12.368 -7.541 2.091 1.00 0.35 H new ATOM 467 N ASP A 28 -12.087 -11.509 3.089 1.00 0.37 N ATOM 468 CA ASP A 28 -12.557 -12.725 3.748 1.00 0.44 C ATOM 469 C ASP A 28 -14.079 -12.706 3.824 1.00 0.42 C ATOM 470 O ASP A 28 -14.701 -11.690 3.530 1.00 0.43 O ATOM 471 CB ASP A 28 -11.943 -12.834 5.140 1.00 0.50 C ATOM 472 CG ASP A 28 -12.131 -14.232 5.708 1.00 0.61 C ATOM 473 OD1 ASP A 28 -12.947 -14.359 6.646 1.00 1.10 O ATOM 474 OD2 ASP A 28 -11.511 -15.160 5.153 1.00 1.41 O ATOM 0 H ASP A 28 -11.674 -10.815 3.712 1.00 0.37 H new ATOM 0 HA ASP A 28 -12.248 -13.597 3.172 1.00 0.44 H new ATOM 0 HB2 ASP A 28 -10.880 -12.596 5.093 1.00 0.50 H new ATOM 0 HB3 ASP A 28 -12.404 -12.102 5.804 1.00 0.50 H new ATOM 479 N GLU A 29 -14.699 -13.810 4.229 1.00 0.52 N ATOM 480 CA GLU A 29 -16.119 -13.801 4.525 1.00 0.60 C ATOM 481 C GLU A 29 -16.340 -13.201 5.913 1.00 0.58 C ATOM 482 O GLU A 29 -17.113 -12.260 6.081 1.00 0.64 O ATOM 483 CB GLU A 29 -16.662 -15.230 4.428 1.00 0.78 C ATOM 484 CG GLU A 29 -18.081 -15.278 4.991 1.00 2.53 C ATOM 485 CD GLU A 29 -18.808 -16.563 4.596 1.00 2.64 C ATOM 486 OE1 GLU A 29 -19.696 -16.473 3.719 1.00 3.01 O ATOM 487 OE2 GLU A 29 -18.468 -17.616 5.179 1.00 3.25 O ATOM 0 H GLU A 29 -14.241 -14.713 4.358 1.00 0.52 H new ATOM 0 HA GLU A 29 -16.659 -13.186 3.804 1.00 0.60 H new ATOM 0 HB2 GLU A 29 -16.661 -15.561 3.389 1.00 0.78 H new ATOM 0 HB3 GLU A 29 -16.017 -15.913 4.981 1.00 0.78 H new ATOM 0 HG2 GLU A 29 -18.043 -15.202 6.078 1.00 2.53 H new ATOM 0 HG3 GLU A 29 -18.644 -14.417 4.630 1.00 2.53 H new ATOM 494 N ALA A 30 -15.677 -13.765 6.920 1.00 0.56 N ATOM 495 CA ALA A 30 -15.839 -13.329 8.297 1.00 0.60 C ATOM 496 C ALA A 30 -15.104 -12.007 8.471 1.00 0.50 C ATOM 497 O ALA A 30 -15.687 -10.983 8.823 1.00 0.52 O ATOM 498 CB ALA A 30 -15.295 -14.398 9.250 1.00 0.69 C ATOM 0 H ALA A 30 -15.016 -14.533 6.801 1.00 0.56 H new ATOM 0 HA ALA A 30 -16.894 -13.185 8.531 1.00 0.60 H new ATOM 0 HB1 ALA A 30 -15.420 -14.064 10.280 1.00 0.69 H new ATOM 0 HB2 ALA A 30 -15.841 -15.330 9.102 1.00 0.69 H new ATOM 0 HB3 ALA A 30 -14.237 -14.562 9.047 1.00 0.69 H new ATOM 504 N ASN A 31 -13.806 -12.015 8.185 1.00 0.43 N ATOM 505 CA ASN A 31 -12.966 -10.840 8.325 1.00 0.39 C ATOM 506 C ASN A 31 -13.056 -9.980 7.062 1.00 0.29 C ATOM 507 O ASN A 31 -12.044 -9.427 6.648 1.00 0.27 O ATOM 508 CB ASN A 31 -11.509 -11.267 8.598 1.00 0.48 C ATOM 509 CG ASN A 31 -11.303 -11.832 9.999 1.00 1.69 C ATOM 510 OD1 ASN A 31 -12.204 -12.399 10.604 1.00 3.12 O ATOM 511 ND2 ASN A 31 -10.108 -11.671 10.554 1.00 2.03 N ATOM 0 H ASN A 31 -13.310 -12.840 7.849 1.00 0.43 H new ATOM 0 HA ASN A 31 -13.314 -10.245 9.169 1.00 0.39 H new ATOM 0 HB2 ASN A 31 -11.213 -12.016 7.864 1.00 0.48 H new ATOM 0 HB3 ASN A 31 -10.853 -10.408 8.459 1.00 0.48 H new ATOM 0 HD21 ASN A 31 -9.932 -12.021 11.495 1.00 2.03 H new ATOM 0 HD22 ASN A 31 -9.366 -11.197 10.039 1.00 2.03 H new ATOM 518 N LEU A 32 -14.235 -9.829 6.442 1.00 0.30 N ATOM 519 CA LEU A 32 -14.359 -9.055 5.202 1.00 0.28 C ATOM 520 C LEU A 32 -13.962 -7.591 5.427 1.00 0.28 C ATOM 521 O LEU A 32 -13.534 -6.889 4.518 1.00 0.31 O ATOM 522 CB LEU A 32 -15.760 -9.238 4.572 1.00 0.36 C ATOM 523 CG LEU A 32 -16.768 -8.089 4.713 1.00 0.36 C ATOM 524 CD1 LEU A 32 -16.662 -7.091 3.550 1.00 0.49 C ATOM 525 CD2 LEU A 32 -18.192 -8.650 4.676 1.00 0.53 C ATOM 0 H LEU A 32 -15.111 -10.231 6.778 1.00 0.30 H new ATOM 0 HA LEU A 32 -13.653 -9.443 4.468 1.00 0.28 H new ATOM 0 HB2 LEU A 32 -15.625 -9.435 3.509 1.00 0.36 H new ATOM 0 HB3 LEU A 32 -16.208 -10.131 5.008 1.00 0.36 H new ATOM 0 HG LEU A 32 -16.547 -7.587 5.655 1.00 0.36 H new ATOM 0 HD11 LEU A 32 -17.392 -6.293 3.687 1.00 0.49 H new ATOM 0 HD12 LEU A 32 -15.659 -6.665 3.526 1.00 0.49 H new ATOM 0 HD13 LEU A 32 -16.860 -7.606 2.610 1.00 0.49 H new ATOM 0 HD21 LEU A 32 -18.907 -7.834 4.776 1.00 0.53 H new ATOM 0 HD22 LEU A 32 -18.357 -9.163 3.728 1.00 0.53 H new ATOM 0 HD23 LEU A 32 -18.327 -9.354 5.497 1.00 0.53 H new ATOM 537 N LEU A 33 -14.092 -7.127 6.670 1.00 0.27 N ATOM 538 CA LEU A 33 -13.628 -5.821 7.105 1.00 0.28 C ATOM 539 C LEU A 33 -12.148 -5.605 6.758 1.00 0.31 C ATOM 540 O LEU A 33 -11.763 -4.521 6.331 1.00 0.62 O ATOM 541 CB LEU A 33 -13.911 -5.695 8.611 1.00 0.31 C ATOM 542 CG LEU A 33 -15.398 -5.414 8.887 1.00 0.34 C ATOM 543 CD1 LEU A 33 -15.697 -5.575 10.375 1.00 0.49 C ATOM 544 CD2 LEU A 33 -15.803 -3.992 8.497 1.00 0.48 C ATOM 0 H LEU A 33 -14.534 -7.666 7.415 1.00 0.27 H new ATOM 0 HA LEU A 33 -14.164 -5.033 6.576 1.00 0.28 H new ATOM 0 HB2 LEU A 33 -13.614 -6.615 9.116 1.00 0.31 H new ATOM 0 HB3 LEU A 33 -13.305 -4.892 9.030 1.00 0.31 H new ATOM 0 HG LEU A 33 -15.961 -6.128 8.286 1.00 0.34 H new ATOM 0 HD11 LEU A 33 -16.752 -5.374 10.558 1.00 0.49 H new ATOM 0 HD12 LEU A 33 -15.463 -6.593 10.685 1.00 0.49 H new ATOM 0 HD13 LEU A 33 -15.089 -4.873 10.946 1.00 0.49 H new ATOM 0 HD21 LEU A 33 -16.861 -3.843 8.711 1.00 0.48 H new ATOM 0 HD22 LEU A 33 -15.213 -3.276 9.069 1.00 0.48 H new ATOM 0 HD23 LEU A 33 -15.624 -3.842 7.432 1.00 0.48 H new ATOM 556 N THR A 34 -11.300 -6.621 6.923 1.00 0.29 N ATOM 557 CA THR A 34 -9.902 -6.518 6.537 1.00 0.24 C ATOM 558 C THR A 34 -9.699 -7.010 5.108 1.00 0.24 C ATOM 559 O THR A 34 -10.365 -7.923 4.627 1.00 0.30 O ATOM 560 CB THR A 34 -9.032 -7.289 7.532 1.00 0.33 C ATOM 561 OG1 THR A 34 -9.202 -6.708 8.808 1.00 0.53 O ATOM 562 CG2 THR A 34 -7.546 -7.194 7.188 1.00 0.25 C ATOM 0 H THR A 34 -11.562 -7.523 7.322 1.00 0.29 H new ATOM 0 HA THR A 34 -9.599 -5.471 6.562 1.00 0.24 H new ATOM 0 HB THR A 34 -9.335 -8.335 7.502 1.00 0.33 H new ATOM 0 HG1 THR A 34 -8.653 -7.189 9.462 1.00 0.53 H new ATOM 0 HG21 THR A 34 -6.966 -7.756 7.920 1.00 0.25 H new ATOM 0 HG22 THR A 34 -7.375 -7.609 6.195 1.00 0.25 H new ATOM 0 HG23 THR A 34 -7.235 -6.149 7.203 1.00 0.25 H new ATOM 570 N TRP A 35 -8.751 -6.373 4.430 1.00 0.20 N ATOM 571 CA TRP A 35 -8.458 -6.582 3.028 1.00 0.20 C ATOM 572 C TRP A 35 -7.047 -7.123 2.892 1.00 0.18 C ATOM 573 O TRP A 35 -6.175 -6.807 3.701 1.00 0.19 O ATOM 574 CB TRP A 35 -8.510 -5.241 2.304 1.00 0.20 C ATOM 575 CG TRP A 35 -9.841 -4.581 2.187 1.00 0.21 C ATOM 576 CD1 TRP A 35 -10.763 -4.436 3.162 1.00 0.25 C ATOM 577 CD2 TRP A 35 -10.384 -3.899 1.025 1.00 0.21 C ATOM 578 NE1 TRP A 35 -11.857 -3.769 2.672 1.00 0.25 N ATOM 579 CE2 TRP A 35 -11.671 -3.386 1.357 1.00 0.21 C ATOM 580 CE3 TRP A 35 -9.885 -3.636 -0.267 1.00 0.24 C ATOM 581 CZ2 TRP A 35 -12.427 -2.639 0.442 1.00 0.21 C ATOM 582 CZ3 TRP A 35 -10.633 -2.891 -1.191 1.00 0.25 C ATOM 583 CH2 TRP A 35 -11.897 -2.388 -0.836 1.00 0.23 C ATOM 0 H TRP A 35 -8.147 -5.673 4.862 1.00 0.20 H new ATOM 0 HA TRP A 35 -9.182 -7.279 2.606 1.00 0.20 H new ATOM 0 HB2 TRP A 35 -7.836 -4.554 2.816 1.00 0.20 H new ATOM 0 HB3 TRP A 35 -8.115 -5.385 1.298 1.00 0.20 H new ATOM 0 HD1 TRP A 35 -10.656 -4.792 4.176 1.00 0.25 H new ATOM 0 HE1 TRP A 35 -12.702 -3.579 3.211 1.00 0.25 H new ATOM 0 HE3 TRP A 35 -8.913 -4.013 -0.549 1.00 0.24 H new ATOM 0 HZ2 TRP A 35 -13.402 -2.262 0.715 1.00 0.21 H new ATOM 0 HZ3 TRP A 35 -10.237 -2.703 -2.178 1.00 0.25 H new ATOM 0 HH2 TRP A 35 -12.463 -1.806 -1.548 1.00 0.23 H new ATOM 594 N GLN A 36 -6.797 -7.864 1.818 1.00 0.15 N ATOM 595 CA GLN A 36 -5.474 -8.356 1.493 1.00 0.16 C ATOM 596 C GLN A 36 -5.293 -8.248 -0.014 1.00 0.27 C ATOM 597 O GLN A 36 -6.257 -8.385 -0.765 1.00 0.53 O ATOM 598 CB GLN A 36 -5.326 -9.804 1.980 1.00 0.30 C ATOM 599 CG GLN A 36 -6.553 -10.657 1.627 1.00 0.47 C ATOM 600 CD GLN A 36 -6.255 -12.147 1.727 1.00 0.83 C ATOM 601 OE1 GLN A 36 -5.541 -12.697 0.891 1.00 1.86 O ATOM 602 NE2 GLN A 36 -6.813 -12.834 2.716 1.00 1.10 N ATOM 0 H GLN A 36 -7.515 -8.139 1.148 1.00 0.15 H new ATOM 0 HA GLN A 36 -4.702 -7.767 1.989 1.00 0.16 H new ATOM 0 HB2 GLN A 36 -4.436 -10.247 1.534 1.00 0.30 H new ATOM 0 HB3 GLN A 36 -5.179 -9.810 3.060 1.00 0.30 H new ATOM 0 HG2 GLN A 36 -7.375 -10.405 2.297 1.00 0.47 H new ATOM 0 HG3 GLN A 36 -6.882 -10.419 0.615 1.00 0.47 H new ATOM 0 HE21 GLN A 36 -7.402 -12.358 3.399 1.00 1.10 H new ATOM 0 HE22 GLN A 36 -6.653 -13.838 2.793 1.00 1.10 H new ATOM 611 N GLY A 37 -4.064 -8.020 -0.469 1.00 0.18 N ATOM 612 CA GLY A 37 -3.777 -8.121 -1.888 1.00 0.20 C ATOM 613 C GLY A 37 -2.334 -7.752 -2.164 1.00 0.20 C ATOM 614 O GLY A 37 -1.508 -7.730 -1.251 1.00 0.27 O ATOM 0 H GLY A 37 -3.267 -7.769 0.116 1.00 0.18 H new ATOM 0 HA2 GLY A 37 -3.971 -9.136 -2.233 1.00 0.20 H new ATOM 0 HA3 GLY A 37 -4.441 -7.462 -2.447 1.00 0.20 H new ATOM 618 N LEU A 38 -2.018 -7.463 -3.425 1.00 0.22 N ATOM 619 CA LEU A 38 -0.710 -6.959 -3.789 1.00 0.28 C ATOM 620 C LEU A 38 -0.901 -5.747 -4.673 1.00 0.31 C ATOM 621 O LEU A 38 -1.897 -5.618 -5.381 1.00 0.44 O ATOM 622 CB LEU A 38 0.171 -8.053 -4.414 1.00 0.34 C ATOM 623 CG LEU A 38 -0.243 -8.560 -5.808 1.00 0.32 C ATOM 624 CD1 LEU A 38 0.133 -7.592 -6.942 1.00 0.31 C ATOM 625 CD2 LEU A 38 0.473 -9.886 -6.084 1.00 0.43 C ATOM 0 H LEU A 38 -2.659 -7.573 -4.211 1.00 0.22 H new ATOM 0 HA LEU A 38 -0.161 -6.649 -2.900 1.00 0.28 H new ATOM 0 HB2 LEU A 38 1.191 -7.673 -4.479 1.00 0.34 H new ATOM 0 HB3 LEU A 38 0.190 -8.905 -3.734 1.00 0.34 H new ATOM 0 HG LEU A 38 -1.328 -8.663 -5.794 1.00 0.32 H new ATOM 0 HD11 LEU A 38 -0.186 -8.009 -7.897 1.00 0.31 H new ATOM 0 HD12 LEU A 38 -0.361 -6.634 -6.781 1.00 0.31 H new ATOM 0 HD13 LEU A 38 1.213 -7.446 -6.953 1.00 0.31 H new ATOM 0 HD21 LEU A 38 0.188 -10.255 -7.069 1.00 0.43 H new ATOM 0 HD22 LEU A 38 1.551 -9.730 -6.053 1.00 0.43 H new ATOM 0 HD23 LEU A 38 0.190 -10.617 -5.326 1.00 0.43 H new ATOM 637 N ILE A 39 0.071 -4.852 -4.628 1.00 0.23 N ATOM 638 CA ILE A 39 0.089 -3.672 -5.448 1.00 0.21 C ATOM 639 C ILE A 39 1.276 -3.842 -6.380 1.00 0.23 C ATOM 640 O ILE A 39 2.391 -4.120 -5.933 1.00 0.29 O ATOM 641 CB ILE A 39 0.070 -2.397 -4.580 1.00 0.21 C ATOM 642 CG1 ILE A 39 1.086 -2.429 -3.422 1.00 0.21 C ATOM 643 CG2 ILE A 39 -1.350 -2.237 -4.009 1.00 0.22 C ATOM 644 CD1 ILE A 39 1.000 -1.187 -2.532 1.00 0.23 C ATOM 0 H ILE A 39 0.878 -4.934 -4.009 1.00 0.23 H new ATOM 0 HA ILE A 39 -0.804 -3.546 -6.061 1.00 0.21 H new ATOM 0 HB ILE A 39 0.354 -1.556 -5.213 1.00 0.21 H new ATOM 0 HG12 ILE A 39 0.914 -3.319 -2.816 1.00 0.21 H new ATOM 0 HG13 ILE A 39 2.094 -2.511 -3.829 1.00 0.21 H new ATOM 0 HG21 ILE A 39 -1.394 -1.341 -3.389 1.00 0.22 H new ATOM 0 HG22 ILE A 39 -2.064 -2.147 -4.828 1.00 0.22 H new ATOM 0 HG23 ILE A 39 -1.600 -3.109 -3.405 1.00 0.22 H new ATOM 0 HD11 ILE A 39 1.737 -1.261 -1.732 1.00 0.23 H new ATOM 0 HD12 ILE A 39 1.200 -0.297 -3.129 1.00 0.23 H new ATOM 0 HD13 ILE A 39 0.002 -1.117 -2.100 1.00 0.23 H new ATOM 656 N VAL A 40 0.995 -3.798 -7.682 1.00 0.26 N ATOM 657 CA VAL A 40 1.996 -3.878 -8.727 1.00 0.25 C ATOM 658 C VAL A 40 2.552 -2.463 -8.848 1.00 0.28 C ATOM 659 O VAL A 40 1.789 -1.544 -9.147 1.00 0.48 O ATOM 660 CB VAL A 40 1.386 -4.342 -10.064 1.00 0.30 C ATOM 661 CG1 VAL A 40 2.494 -4.821 -11.006 1.00 0.25 C ATOM 662 CG2 VAL A 40 0.379 -5.484 -9.883 1.00 0.58 C ATOM 0 H VAL A 40 0.044 -3.704 -8.039 1.00 0.26 H new ATOM 0 HA VAL A 40 2.769 -4.608 -8.485 1.00 0.25 H new ATOM 0 HB VAL A 40 0.861 -3.484 -10.484 1.00 0.30 H new ATOM 0 HG11 VAL A 40 2.054 -5.147 -11.949 1.00 0.25 H new ATOM 0 HG12 VAL A 40 3.190 -4.004 -11.194 1.00 0.25 H new ATOM 0 HG13 VAL A 40 3.027 -5.654 -10.547 1.00 0.25 H new ATOM 0 HG21 VAL A 40 -0.021 -5.774 -10.855 1.00 0.58 H new ATOM 0 HG22 VAL A 40 0.877 -6.339 -9.426 1.00 0.58 H new ATOM 0 HG23 VAL A 40 -0.436 -5.152 -9.239 1.00 0.58 H new ATOM 672 N PRO A 41 3.836 -2.254 -8.544 1.00 0.39 N ATOM 673 CA PRO A 41 4.466 -0.972 -8.763 1.00 0.49 C ATOM 674 C PRO A 41 4.693 -0.719 -10.256 1.00 0.32 C ATOM 675 O PRO A 41 4.430 -1.573 -11.099 1.00 0.37 O ATOM 676 CB PRO A 41 5.794 -1.024 -8.005 1.00 0.77 C ATOM 677 CG PRO A 41 5.958 -2.458 -7.498 1.00 0.72 C ATOM 678 CD PRO A 41 4.770 -3.240 -8.041 1.00 0.60 C ATOM 0 HA PRO A 41 3.838 -0.154 -8.408 1.00 0.49 H new ATOM 0 HB2 PRO A 41 6.622 -0.748 -8.657 1.00 0.77 H new ATOM 0 HB3 PRO A 41 5.793 -0.318 -7.174 1.00 0.77 H new ATOM 0 HG2 PRO A 41 6.898 -2.888 -7.844 1.00 0.72 H new ATOM 0 HG3 PRO A 41 5.977 -2.486 -6.409 1.00 0.72 H new ATOM 0 HD2 PRO A 41 5.081 -3.922 -8.833 1.00 0.60 H new ATOM 0 HD3 PRO A 41 4.313 -3.847 -7.259 1.00 0.60 H new ATOM 686 N ASP A 42 5.256 0.452 -10.546 1.00 0.41 N ATOM 687 CA ASP A 42 5.673 0.924 -11.859 1.00 0.42 C ATOM 688 C ASP A 42 7.126 1.383 -11.754 1.00 0.36 C ATOM 689 O ASP A 42 7.972 0.963 -12.537 1.00 0.33 O ATOM 690 CB ASP A 42 4.831 2.119 -12.335 1.00 0.74 C ATOM 691 CG ASP A 42 3.333 1.852 -12.412 1.00 1.37 C ATOM 692 OD1 ASP A 42 2.863 1.360 -13.457 1.00 1.57 O ATOM 693 OD2 ASP A 42 2.653 2.219 -11.428 1.00 2.40 O ATOM 0 H ASP A 42 5.445 1.141 -9.818 1.00 0.41 H new ATOM 0 HA ASP A 42 5.546 0.110 -12.573 1.00 0.42 H new ATOM 0 HB2 ASP A 42 5.002 2.958 -11.661 1.00 0.74 H new ATOM 0 HB3 ASP A 42 5.183 2.424 -13.320 1.00 0.74 H new ATOM 698 N ASN A 43 7.402 2.285 -10.803 1.00 0.48 N ATOM 699 CA ASN A 43 8.712 2.910 -10.640 1.00 0.46 C ATOM 700 C ASN A 43 9.754 1.915 -10.126 1.00 0.43 C ATOM 701 O ASN A 43 10.757 1.694 -10.801 1.00 0.44 O ATOM 702 CB ASN A 43 8.624 4.154 -9.738 1.00 0.53 C ATOM 703 CG ASN A 43 8.923 5.429 -10.510 1.00 0.58 C ATOM 704 OD1 ASN A 43 10.075 5.738 -10.785 1.00 0.62 O ATOM 705 ND2 ASN A 43 7.900 6.183 -10.889 1.00 0.69 N ATOM 0 H ASN A 43 6.713 2.601 -10.121 1.00 0.48 H new ATOM 0 HA ASN A 43 9.044 3.238 -11.625 1.00 0.46 H new ATOM 0 HB2 ASN A 43 7.627 4.218 -9.302 1.00 0.53 H new ATOM 0 HB3 ASN A 43 9.328 4.055 -8.912 1.00 0.53 H new ATOM 0 HD21 ASN A 43 8.066 7.038 -11.420 1.00 0.69 H new ATOM 0 HD22 ASN A 43 6.947 5.908 -10.650 1.00 0.69 H new ATOM 712 N PRO A 44 9.596 1.336 -8.924 1.00 0.42 N ATOM 713 CA PRO A 44 10.544 0.349 -8.450 1.00 0.41 C ATOM 714 C PRO A 44 10.397 -0.937 -9.276 1.00 0.33 C ATOM 715 O PRO A 44 9.355 -1.156 -9.892 1.00 0.32 O ATOM 716 CB PRO A 44 10.232 0.158 -6.963 1.00 0.47 C ATOM 717 CG PRO A 44 8.744 0.469 -6.882 1.00 0.45 C ATOM 718 CD PRO A 44 8.554 1.560 -7.936 1.00 0.46 C ATOM 0 HA PRO A 44 11.584 0.655 -8.565 1.00 0.41 H new ATOM 0 HB2 PRO A 44 10.451 -0.857 -6.632 1.00 0.47 H new ATOM 0 HB3 PRO A 44 10.819 0.830 -6.338 1.00 0.47 H new ATOM 0 HG2 PRO A 44 8.137 -0.410 -7.099 1.00 0.45 H new ATOM 0 HG3 PRO A 44 8.459 0.816 -5.889 1.00 0.45 H new ATOM 0 HD2 PRO A 44 7.565 1.499 -8.389 1.00 0.46 H new ATOM 0 HD3 PRO A 44 8.641 2.552 -7.493 1.00 0.46 H new ATOM 726 N PRO A 45 11.445 -1.775 -9.285 1.00 0.31 N ATOM 727 CA PRO A 45 11.665 -2.915 -10.180 1.00 0.31 C ATOM 728 C PRO A 45 10.611 -4.030 -10.099 1.00 0.49 C ATOM 729 O PRO A 45 10.887 -5.147 -9.657 1.00 0.97 O ATOM 730 CB PRO A 45 13.091 -3.394 -9.887 1.00 0.35 C ATOM 731 CG PRO A 45 13.407 -2.805 -8.529 1.00 0.36 C ATOM 732 CD PRO A 45 12.650 -1.496 -8.541 1.00 0.33 C ATOM 0 HA PRO A 45 11.550 -2.599 -11.217 1.00 0.31 H new ATOM 0 HB2 PRO A 45 13.151 -4.482 -9.873 1.00 0.35 H new ATOM 0 HB3 PRO A 45 13.792 -3.046 -10.645 1.00 0.35 H new ATOM 0 HG2 PRO A 45 13.075 -3.456 -7.720 1.00 0.36 H new ATOM 0 HG3 PRO A 45 14.478 -2.651 -8.395 1.00 0.36 H new ATOM 0 HD2 PRO A 45 12.422 -1.162 -7.529 1.00 0.33 H new ATOM 0 HD3 PRO A 45 13.233 -0.706 -9.014 1.00 0.33 H new ATOM 740 N TYR A 46 9.408 -3.767 -10.613 1.00 0.27 N ATOM 741 CA TYR A 46 8.293 -4.696 -10.549 1.00 0.34 C ATOM 742 C TYR A 46 8.469 -5.878 -11.499 1.00 0.41 C ATOM 743 O TYR A 46 7.729 -6.850 -11.413 1.00 0.73 O ATOM 744 CB TYR A 46 6.971 -3.976 -10.824 1.00 0.34 C ATOM 745 CG TYR A 46 6.762 -3.542 -12.259 1.00 0.40 C ATOM 746 CD1 TYR A 46 6.091 -4.396 -13.152 1.00 1.48 C ATOM 747 CD2 TYR A 46 7.214 -2.282 -12.691 1.00 1.65 C ATOM 748 CE1 TYR A 46 5.861 -3.991 -14.477 1.00 1.59 C ATOM 749 CE2 TYR A 46 6.990 -1.870 -14.015 1.00 1.85 C ATOM 750 CZ TYR A 46 6.306 -2.723 -14.913 1.00 1.09 C ATOM 751 OH TYR A 46 6.060 -2.331 -16.195 1.00 1.46 O ATOM 0 H TYR A 46 9.185 -2.893 -11.089 1.00 0.27 H new ATOM 0 HA TYR A 46 8.270 -5.098 -9.536 1.00 0.34 H new ATOM 0 HB2 TYR A 46 6.151 -4.634 -10.537 1.00 0.34 H new ATOM 0 HB3 TYR A 46 6.914 -3.096 -10.183 1.00 0.34 H new ATOM 0 HD1 TYR A 46 5.752 -5.366 -12.818 1.00 1.48 H new ATOM 0 HD2 TYR A 46 7.734 -1.631 -12.004 1.00 1.65 H new ATOM 0 HE1 TYR A 46 5.345 -4.648 -15.161 1.00 1.59 H new ATOM 0 HE2 TYR A 46 7.339 -0.904 -14.347 1.00 1.85 H new ATOM 0 HH TYR A 46 6.428 -1.434 -16.339 1.00 1.46 H new ATOM 761 N ASP A 47 9.462 -5.856 -12.390 1.00 0.40 N ATOM 762 CA ASP A 47 9.743 -7.020 -13.225 1.00 0.43 C ATOM 763 C ASP A 47 9.985 -8.249 -12.351 1.00 0.41 C ATOM 764 O ASP A 47 9.667 -9.370 -12.742 1.00 0.59 O ATOM 765 CB ASP A 47 11.005 -6.808 -14.057 1.00 0.45 C ATOM 766 CG ASP A 47 10.915 -5.670 -15.056 1.00 1.44 C ATOM 767 OD1 ASP A 47 9.977 -5.691 -15.878 1.00 2.25 O ATOM 768 OD2 ASP A 47 11.836 -4.829 -14.978 1.00 2.76 O ATOM 0 H ASP A 47 10.076 -5.057 -12.549 1.00 0.40 H new ATOM 0 HA ASP A 47 8.881 -7.163 -13.877 1.00 0.43 H new ATOM 0 HB2 ASP A 47 11.841 -6.619 -13.384 1.00 0.45 H new ATOM 0 HB3 ASP A 47 11.230 -7.729 -14.594 1.00 0.45 H new ATOM 773 N LYS A 48 10.611 -8.048 -11.183 1.00 0.31 N ATOM 774 CA LYS A 48 11.018 -9.158 -10.333 1.00 0.33 C ATOM 775 C LYS A 48 9.954 -9.510 -9.293 1.00 0.28 C ATOM 776 O LYS A 48 10.146 -10.482 -8.569 1.00 0.31 O ATOM 777 CB LYS A 48 12.389 -8.882 -9.683 1.00 0.44 C ATOM 778 CG LYS A 48 13.505 -8.818 -10.740 1.00 0.61 C ATOM 779 CD LYS A 48 13.833 -7.381 -11.164 1.00 0.98 C ATOM 780 CE LYS A 48 14.842 -7.360 -12.322 1.00 1.06 C ATOM 781 NZ LYS A 48 14.203 -7.567 -13.644 1.00 2.42 N ATOM 0 H LYS A 48 10.843 -7.126 -10.812 1.00 0.31 H new ATOM 0 HA LYS A 48 11.125 -10.035 -10.972 1.00 0.33 H new ATOM 0 HB2 LYS A 48 12.351 -7.941 -9.134 1.00 0.44 H new ATOM 0 HB3 LYS A 48 12.615 -9.665 -8.959 1.00 0.44 H new ATOM 0 HG2 LYS A 48 14.404 -9.290 -10.343 1.00 0.61 H new ATOM 0 HG3 LYS A 48 13.204 -9.392 -11.616 1.00 0.61 H new ATOM 0 HD2 LYS A 48 12.918 -6.870 -11.466 1.00 0.98 H new ATOM 0 HD3 LYS A 48 14.239 -6.832 -10.314 1.00 0.98 H new ATOM 0 HE2 LYS A 48 15.367 -6.405 -12.323 1.00 1.06 H new ATOM 0 HE3 LYS A 48 15.591 -8.135 -12.160 1.00 1.06 H new ATOM 0 HZ1 LYS A 48 14.880 -8.022 -14.289 1.00 2.42 H new ATOM 0 HZ2 LYS A 48 13.367 -8.176 -13.534 1.00 2.42 H new ATOM 0 HZ3 LYS A 48 13.913 -6.649 -14.037 1.00 2.42 H new ATOM 795 N GLY A 49 8.853 -8.760 -9.185 1.00 0.33 N ATOM 796 CA GLY A 49 7.849 -9.036 -8.169 1.00 0.36 C ATOM 797 C GLY A 49 7.000 -7.805 -7.861 1.00 0.37 C ATOM 798 O GLY A 49 6.945 -6.863 -8.643 1.00 0.43 O ATOM 0 H GLY A 49 8.641 -7.964 -9.787 1.00 0.33 H new ATOM 0 HA2 GLY A 49 7.204 -9.847 -8.507 1.00 0.36 H new ATOM 0 HA3 GLY A 49 8.339 -9.377 -7.257 1.00 0.36 H new ATOM 802 N ALA A 50 6.309 -7.822 -6.725 1.00 0.35 N ATOM 803 CA ALA A 50 5.354 -6.811 -6.309 1.00 0.37 C ATOM 804 C ALA A 50 5.495 -6.601 -4.805 1.00 0.31 C ATOM 805 O ALA A 50 6.388 -7.158 -4.166 1.00 0.33 O ATOM 806 CB ALA A 50 3.933 -7.260 -6.696 1.00 0.40 C ATOM 0 H ALA A 50 6.407 -8.574 -6.043 1.00 0.35 H new ATOM 0 HA ALA A 50 5.547 -5.862 -6.809 1.00 0.37 H new ATOM 0 HB1 ALA A 50 3.214 -6.502 -6.384 1.00 0.40 H new ATOM 0 HB2 ALA A 50 3.875 -7.393 -7.776 1.00 0.40 H new ATOM 0 HB3 ALA A 50 3.702 -8.204 -6.202 1.00 0.40 H new ATOM 812 N PHE A 51 4.589 -5.815 -4.232 1.00 0.33 N ATOM 813 CA PHE A 51 4.589 -5.467 -2.828 1.00 0.36 C ATOM 814 C PHE A 51 3.267 -5.949 -2.263 1.00 0.30 C ATOM 815 O PHE A 51 2.213 -5.534 -2.736 1.00 0.30 O ATOM 816 CB PHE A 51 4.779 -3.949 -2.677 1.00 0.49 C ATOM 817 CG PHE A 51 6.229 -3.591 -2.446 1.00 0.46 C ATOM 818 CD1 PHE A 51 7.034 -2.997 -3.438 1.00 1.19 C ATOM 819 CD2 PHE A 51 6.798 -3.953 -1.220 1.00 2.11 C ATOM 820 CE1 PHE A 51 8.414 -2.822 -3.216 1.00 0.97 C ATOM 821 CE2 PHE A 51 8.162 -3.754 -0.989 1.00 2.72 C ATOM 822 CZ PHE A 51 8.982 -3.205 -1.988 1.00 1.66 C ATOM 0 H PHE A 51 3.817 -5.395 -4.751 1.00 0.33 H new ATOM 0 HA PHE A 51 5.407 -5.936 -2.282 1.00 0.36 H new ATOM 0 HB2 PHE A 51 4.417 -3.445 -3.574 1.00 0.49 H new ATOM 0 HB3 PHE A 51 4.177 -3.587 -1.843 1.00 0.49 H new ATOM 0 HD1 PHE A 51 6.593 -2.675 -4.370 1.00 1.19 H new ATOM 0 HD2 PHE A 51 6.180 -4.388 -0.448 1.00 2.11 H new ATOM 0 HE1 PHE A 51 9.035 -2.394 -3.989 1.00 0.97 H new ATOM 0 HE2 PHE A 51 8.589 -4.025 -0.035 1.00 2.72 H new ATOM 0 HZ PHE A 51 10.040 -3.078 -1.815 1.00 1.66 H new ATOM 832 N ARG A 52 3.296 -6.860 -1.291 1.00 0.34 N ATOM 833 CA ARG A 52 2.049 -7.370 -0.738 1.00 0.29 C ATOM 834 C ARG A 52 1.692 -6.537 0.469 1.00 0.23 C ATOM 835 O ARG A 52 2.579 -6.232 1.269 1.00 0.31 O ATOM 836 CB ARG A 52 2.187 -8.837 -0.350 1.00 0.37 C ATOM 837 CG ARG A 52 0.810 -9.498 -0.404 1.00 0.63 C ATOM 838 CD ARG A 52 0.856 -10.969 -0.005 1.00 0.65 C ATOM 839 NE ARG A 52 -0.412 -11.625 -0.348 1.00 1.51 N ATOM 840 CZ ARG A 52 -0.683 -12.912 -0.112 1.00 1.82 C ATOM 841 NH1 ARG A 52 -1.927 -13.372 -0.267 1.00 2.64 N ATOM 842 NH2 ARG A 52 0.293 -13.728 0.283 1.00 1.84 N ATOM 0 H ARG A 52 4.145 -7.249 -0.882 1.00 0.34 H new ATOM 0 HA ARG A 52 1.260 -7.303 -1.487 1.00 0.29 H new ATOM 0 HB2 ARG A 52 2.874 -9.343 -1.028 1.00 0.37 H new ATOM 0 HB3 ARG A 52 2.607 -8.923 0.652 1.00 0.37 H new ATOM 0 HG2 ARG A 52 0.128 -8.966 0.259 1.00 0.63 H new ATOM 0 HG3 ARG A 52 0.407 -9.410 -1.413 1.00 0.63 H new ATOM 0 HD2 ARG A 52 1.681 -11.466 -0.515 1.00 0.65 H new ATOM 0 HD3 ARG A 52 1.042 -11.058 1.065 1.00 0.65 H new ATOM 0 HE ARG A 52 -1.134 -11.061 -0.796 1.00 1.51 H new ATOM 0 HH11 ARG A 52 -2.671 -12.741 -0.566 1.00 2.64 H new ATOM 0 HH12 ARG A 52 -2.134 -14.354 -0.087 1.00 2.64 H new ATOM 0 HH21 ARG A 52 1.240 -13.369 0.404 1.00 1.84 H new ATOM 0 HH22 ARG A 52 0.093 -14.712 0.465 1.00 1.84 H new ATOM 856 N ILE A 53 0.416 -6.194 0.625 1.00 0.15 N ATOM 857 CA ILE A 53 -0.020 -5.375 1.736 1.00 0.15 C ATOM 858 C ILE A 53 -1.351 -5.894 2.266 1.00 0.16 C ATOM 859 O ILE A 53 -2.071 -6.626 1.586 1.00 0.23 O ATOM 860 CB ILE A 53 -0.076 -3.889 1.328 1.00 0.15 C ATOM 861 CG1 ILE A 53 -1.144 -3.565 0.273 1.00 0.15 C ATOM 862 CG2 ILE A 53 1.285 -3.440 0.776 1.00 0.19 C ATOM 863 CD1 ILE A 53 -1.491 -2.075 0.322 1.00 0.20 C ATOM 0 H ILE A 53 -0.331 -6.475 -0.010 1.00 0.15 H new ATOM 0 HA ILE A 53 0.703 -5.443 2.549 1.00 0.15 H new ATOM 0 HB ILE A 53 -0.341 -3.352 2.239 1.00 0.15 H new ATOM 0 HG12 ILE A 53 -0.779 -3.830 -0.719 1.00 0.15 H new ATOM 0 HG13 ILE A 53 -2.038 -4.162 0.453 1.00 0.15 H new ATOM 0 HG21 ILE A 53 1.233 -2.389 0.491 1.00 0.19 H new ATOM 0 HG22 ILE A 53 2.049 -3.571 1.542 1.00 0.19 H new ATOM 0 HG23 ILE A 53 1.539 -4.041 -0.097 1.00 0.19 H new ATOM 0 HD11 ILE A 53 -2.249 -1.853 -0.429 1.00 0.20 H new ATOM 0 HD12 ILE A 53 -1.875 -1.823 1.311 1.00 0.20 H new ATOM 0 HD13 ILE A 53 -0.596 -1.486 0.120 1.00 0.20 H new ATOM 875 N GLU A 54 -1.667 -5.501 3.494 1.00 0.15 N ATOM 876 CA GLU A 54 -2.889 -5.870 4.183 1.00 0.15 C ATOM 877 C GLU A 54 -3.449 -4.582 4.769 1.00 0.15 C ATOM 878 O GLU A 54 -2.686 -3.800 5.342 1.00 0.21 O ATOM 879 CB GLU A 54 -2.525 -6.892 5.260 1.00 0.19 C ATOM 880 CG GLU A 54 -3.727 -7.345 6.094 1.00 0.33 C ATOM 881 CD GLU A 54 -3.268 -8.332 7.164 1.00 0.58 C ATOM 882 OE1 GLU A 54 -3.822 -9.448 7.209 1.00 1.51 O ATOM 883 OE2 GLU A 54 -2.313 -7.975 7.894 1.00 1.73 O ATOM 0 H GLU A 54 -1.060 -4.899 4.051 1.00 0.15 H new ATOM 0 HA GLU A 54 -3.639 -6.325 3.536 1.00 0.15 H new ATOM 0 HB2 GLU A 54 -2.071 -7.763 4.787 1.00 0.19 H new ATOM 0 HB3 GLU A 54 -1.774 -6.461 5.922 1.00 0.19 H new ATOM 0 HG2 GLU A 54 -4.203 -6.483 6.561 1.00 0.33 H new ATOM 0 HG3 GLU A 54 -4.473 -7.812 5.451 1.00 0.33 H new ATOM 890 N ILE A 55 -4.748 -4.334 4.589 1.00 0.17 N ATOM 891 CA ILE A 55 -5.375 -3.076 4.973 1.00 0.16 C ATOM 892 C ILE A 55 -6.487 -3.387 5.968 1.00 0.18 C ATOM 893 O ILE A 55 -7.522 -3.947 5.610 1.00 0.42 O ATOM 894 CB ILE A 55 -5.928 -2.311 3.754 1.00 0.19 C ATOM 895 CG1 ILE A 55 -5.025 -2.381 2.503 1.00 0.25 C ATOM 896 CG2 ILE A 55 -6.143 -0.844 4.143 1.00 0.31 C ATOM 897 CD1 ILE A 55 -5.530 -3.404 1.484 1.00 0.71 C ATOM 0 H ILE A 55 -5.393 -5.005 4.171 1.00 0.17 H new ATOM 0 HA ILE A 55 -4.627 -2.427 5.429 1.00 0.16 H new ATOM 0 HB ILE A 55 -6.865 -2.796 3.480 1.00 0.19 H new ATOM 0 HG12 ILE A 55 -4.978 -1.398 2.035 1.00 0.25 H new ATOM 0 HG13 ILE A 55 -4.010 -2.640 2.803 1.00 0.25 H new ATOM 0 HG21 ILE A 55 -6.534 -0.294 3.287 1.00 0.31 H new ATOM 0 HG22 ILE A 55 -6.854 -0.787 4.967 1.00 0.31 H new ATOM 0 HG23 ILE A 55 -5.194 -0.407 4.452 1.00 0.31 H new ATOM 0 HD11 ILE A 55 -4.864 -3.418 0.622 1.00 0.71 H new ATOM 0 HD12 ILE A 55 -5.552 -4.393 1.942 1.00 0.71 H new ATOM 0 HD13 ILE A 55 -6.535 -3.131 1.162 1.00 0.71 H new ATOM 909 N ASN A 56 -6.279 -3.046 7.233 1.00 0.30 N ATOM 910 CA ASN A 56 -7.253 -3.316 8.269 1.00 0.26 C ATOM 911 C ASN A 56 -8.256 -2.164 8.285 1.00 0.26 C ATOM 912 O ASN A 56 -7.949 -1.088 8.800 1.00 0.27 O ATOM 913 CB ASN A 56 -6.543 -3.463 9.626 1.00 0.31 C ATOM 914 CG ASN A 56 -5.328 -4.381 9.547 1.00 0.36 C ATOM 915 OD1 ASN A 56 -4.195 -3.919 9.613 1.00 1.18 O ATOM 916 ND2 ASN A 56 -5.538 -5.680 9.372 1.00 1.00 N ATOM 0 H ASN A 56 -5.435 -2.578 7.563 1.00 0.30 H new ATOM 0 HA ASN A 56 -7.781 -4.250 8.074 1.00 0.26 H new ATOM 0 HB2 ASN A 56 -6.231 -2.480 9.978 1.00 0.31 H new ATOM 0 HB3 ASN A 56 -7.246 -3.856 10.360 1.00 0.31 H new ATOM 0 HD21 ASN A 56 -4.746 -6.318 9.289 1.00 1.00 H new ATOM 0 HD22 ASN A 56 -6.491 -6.040 9.320 1.00 1.00 H new ATOM 923 N PHE A 57 -9.451 -2.388 7.731 1.00 0.31 N ATOM 924 CA PHE A 57 -10.560 -1.438 7.816 1.00 0.26 C ATOM 925 C PHE A 57 -11.569 -1.972 8.837 1.00 0.30 C ATOM 926 O PHE A 57 -12.425 -2.779 8.491 1.00 0.43 O ATOM 927 CB PHE A 57 -11.232 -1.246 6.444 1.00 0.35 C ATOM 928 CG PHE A 57 -10.815 -0.032 5.634 1.00 0.45 C ATOM 929 CD1 PHE A 57 -11.739 1.005 5.404 1.00 1.46 C ATOM 930 CD2 PHE A 57 -9.544 0.033 5.041 1.00 2.22 C ATOM 931 CE1 PHE A 57 -11.420 2.074 4.550 1.00 1.27 C ATOM 932 CE2 PHE A 57 -9.207 1.129 4.221 1.00 2.63 C ATOM 933 CZ PHE A 57 -10.153 2.134 3.950 1.00 1.30 C ATOM 0 H PHE A 57 -9.675 -3.236 7.210 1.00 0.31 H new ATOM 0 HA PHE A 57 -10.184 -0.464 8.131 1.00 0.26 H new ATOM 0 HB2 PHE A 57 -11.038 -2.136 5.845 1.00 0.35 H new ATOM 0 HB3 PHE A 57 -12.310 -1.195 6.599 1.00 0.35 H new ATOM 0 HD1 PHE A 57 -12.703 0.978 5.889 1.00 1.46 H new ATOM 0 HD2 PHE A 57 -8.826 -0.755 5.213 1.00 2.22 H new ATOM 0 HE1 PHE A 57 -12.148 2.848 4.356 1.00 1.27 H new ATOM 0 HE2 PHE A 57 -8.216 1.197 3.798 1.00 2.63 H new ATOM 0 HZ PHE A 57 -9.906 2.947 3.284 1.00 1.30 H new ATOM 943 N PRO A 58 -11.504 -1.557 10.107 1.00 0.28 N ATOM 944 CA PRO A 58 -12.430 -2.048 11.113 1.00 0.32 C ATOM 945 C PRO A 58 -13.836 -1.493 10.871 1.00 0.29 C ATOM 946 O PRO A 58 -14.045 -0.609 10.041 1.00 0.26 O ATOM 947 CB PRO A 58 -11.847 -1.579 12.449 1.00 0.36 C ATOM 948 CG PRO A 58 -11.095 -0.303 12.071 1.00 0.33 C ATOM 949 CD PRO A 58 -10.553 -0.621 10.679 1.00 0.29 C ATOM 0 HA PRO A 58 -12.537 -3.132 11.089 1.00 0.32 H new ATOM 0 HB2 PRO A 58 -12.628 -1.384 13.183 1.00 0.36 H new ATOM 0 HB3 PRO A 58 -11.182 -2.326 12.883 1.00 0.36 H new ATOM 0 HG2 PRO A 58 -11.754 0.565 12.058 1.00 0.33 H new ATOM 0 HG3 PRO A 58 -10.293 -0.084 12.776 1.00 0.33 H new ATOM 0 HD2 PRO A 58 -10.473 0.281 10.072 1.00 0.29 H new ATOM 0 HD3 PRO A 58 -9.556 -1.057 10.735 1.00 0.29 H new ATOM 957 N ALA A 59 -14.813 -1.971 11.648 1.00 0.33 N ATOM 958 CA ALA A 59 -16.158 -1.411 11.614 1.00 0.32 C ATOM 959 C ALA A 59 -16.139 0.085 11.900 1.00 0.28 C ATOM 960 O ALA A 59 -16.956 0.834 11.372 1.00 0.27 O ATOM 961 CB ALA A 59 -17.062 -2.128 12.612 1.00 0.38 C ATOM 0 H ALA A 59 -14.693 -2.742 12.305 1.00 0.33 H new ATOM 0 HA ALA A 59 -16.556 -1.559 10.610 1.00 0.32 H new ATOM 0 HB1 ALA A 59 -18.062 -1.696 12.572 1.00 0.38 H new ATOM 0 HB2 ALA A 59 -17.114 -3.187 12.360 1.00 0.38 H new ATOM 0 HB3 ALA A 59 -16.657 -2.013 13.617 1.00 0.38 H new ATOM 967 N GLU A 60 -15.177 0.513 12.714 1.00 0.27 N ATOM 968 CA GLU A 60 -14.944 1.898 13.066 1.00 0.24 C ATOM 969 C GLU A 60 -14.340 2.702 11.916 1.00 0.20 C ATOM 970 O GLU A 60 -13.852 3.792 12.167 1.00 0.25 O ATOM 971 CB GLU A 60 -13.961 1.949 14.240 1.00 0.36 C ATOM 972 CG GLU A 60 -14.414 1.117 15.438 1.00 0.55 C ATOM 973 CD GLU A 60 -13.410 1.275 16.584 1.00 0.75 C ATOM 974 OE1 GLU A 60 -12.189 1.253 16.292 1.00 1.89 O ATOM 975 OE2 GLU A 60 -13.863 1.436 17.735 1.00 1.38 O ATOM 0 H GLU A 60 -14.517 -0.125 13.160 1.00 0.27 H new ATOM 0 HA GLU A 60 -15.910 2.336 13.319 1.00 0.24 H new ATOM 0 HB2 GLU A 60 -12.987 1.593 13.906 1.00 0.36 H new ATOM 0 HB3 GLU A 60 -13.832 2.985 14.553 1.00 0.36 H new ATOM 0 HG2 GLU A 60 -15.404 1.437 15.762 1.00 0.55 H new ATOM 0 HG3 GLU A 60 -14.495 0.068 15.155 1.00 0.55 H new ATOM 982 N TYR A 61 -14.351 2.234 10.667 1.00 0.21 N ATOM 983 CA TYR A 61 -13.772 2.991 9.557 1.00 0.28 C ATOM 984 C TYR A 61 -14.231 4.462 9.517 1.00 0.29 C ATOM 985 O TYR A 61 -13.389 5.354 9.415 1.00 0.31 O ATOM 986 CB TYR A 61 -13.979 2.232 8.235 1.00 0.44 C ATOM 987 CG TYR A 61 -14.376 3.072 7.035 1.00 0.56 C ATOM 988 CD1 TYR A 61 -13.517 4.072 6.536 1.00 2.17 C ATOM 989 CD2 TYR A 61 -15.632 2.872 6.437 1.00 1.78 C ATOM 990 CE1 TYR A 61 -13.926 4.887 5.462 1.00 2.26 C ATOM 991 CE2 TYR A 61 -16.041 3.675 5.365 1.00 1.79 C ATOM 992 CZ TYR A 61 -15.196 4.692 4.871 1.00 0.86 C ATOM 993 OH TYR A 61 -15.628 5.476 3.845 1.00 1.01 O ATOM 0 H TYR A 61 -14.754 1.336 10.399 1.00 0.21 H new ATOM 0 HA TYR A 61 -12.697 3.064 9.721 1.00 0.28 H new ATOM 0 HB2 TYR A 61 -13.056 1.705 7.994 1.00 0.44 H new ATOM 0 HB3 TYR A 61 -14.747 1.474 8.392 1.00 0.44 H new ATOM 0 HD1 TYR A 61 -12.542 4.214 6.978 1.00 2.17 H new ATOM 0 HD2 TYR A 61 -16.285 2.095 6.806 1.00 1.78 H new ATOM 0 HE1 TYR A 61 -13.270 5.660 5.090 1.00 2.26 H new ATOM 0 HE2 TYR A 61 -17.009 3.515 4.913 1.00 1.79 H new ATOM 0 HH TYR A 61 -14.859 5.902 3.412 1.00 1.01 H new ATOM 1003 N PRO A 62 -15.532 4.781 9.613 1.00 0.33 N ATOM 1004 CA PRO A 62 -15.950 6.173 9.584 1.00 0.40 C ATOM 1005 C PRO A 62 -15.613 6.904 10.893 1.00 0.42 C ATOM 1006 O PRO A 62 -15.662 8.127 10.934 1.00 0.57 O ATOM 1007 CB PRO A 62 -17.451 6.131 9.297 1.00 0.43 C ATOM 1008 CG PRO A 62 -17.891 4.805 9.915 1.00 0.39 C ATOM 1009 CD PRO A 62 -16.680 3.893 9.719 1.00 0.36 C ATOM 0 HA PRO A 62 -15.420 6.742 8.820 1.00 0.40 H new ATOM 0 HB2 PRO A 62 -17.970 6.977 9.748 1.00 0.43 H new ATOM 0 HB3 PRO A 62 -17.657 6.164 8.227 1.00 0.43 H new ATOM 0 HG2 PRO A 62 -18.140 4.918 10.970 1.00 0.39 H new ATOM 0 HG3 PRO A 62 -18.776 4.407 9.419 1.00 0.39 H new ATOM 0 HD2 PRO A 62 -16.567 3.206 10.558 1.00 0.36 H new ATOM 0 HD3 PRO A 62 -16.789 3.285 8.821 1.00 0.36 H new ATOM 1017 N PHE A 63 -15.268 6.177 11.958 1.00 0.33 N ATOM 1018 CA PHE A 63 -14.891 6.714 13.262 1.00 0.37 C ATOM 1019 C PHE A 63 -13.385 6.950 13.407 1.00 0.33 C ATOM 1020 O PHE A 63 -12.990 7.769 14.232 1.00 0.37 O ATOM 1021 CB PHE A 63 -15.360 5.759 14.370 1.00 0.41 C ATOM 1022 CG PHE A 63 -16.731 6.079 14.920 1.00 0.60 C ATOM 1023 CD1 PHE A 63 -17.868 5.380 14.474 1.00 2.15 C ATOM 1024 CD2 PHE A 63 -16.861 7.073 15.908 1.00 1.64 C ATOM 1025 CE1 PHE A 63 -19.129 5.670 15.024 1.00 2.38 C ATOM 1026 CE2 PHE A 63 -18.121 7.363 16.456 1.00 1.59 C ATOM 1027 CZ PHE A 63 -19.256 6.659 16.015 1.00 1.13 C ATOM 0 H PHE A 63 -15.244 5.158 11.932 1.00 0.33 H new ATOM 0 HA PHE A 63 -15.379 7.685 13.352 1.00 0.37 H new ATOM 0 HB2 PHE A 63 -15.365 4.741 13.980 1.00 0.41 H new ATOM 0 HB3 PHE A 63 -14.638 5.784 15.186 1.00 0.41 H new ATOM 0 HD1 PHE A 63 -17.772 4.622 13.711 1.00 2.15 H new ATOM 0 HD2 PHE A 63 -15.989 7.614 16.246 1.00 1.64 H new ATOM 0 HE1 PHE A 63 -20.002 5.132 14.685 1.00 2.38 H new ATOM 0 HE2 PHE A 63 -18.218 8.125 17.215 1.00 1.59 H new ATOM 0 HZ PHE A 63 -20.225 6.878 16.438 1.00 1.13 H new ATOM 1037 N LYS A 64 -12.529 6.217 12.695 1.00 0.26 N ATOM 1038 CA LYS A 64 -11.082 6.310 12.865 1.00 0.24 C ATOM 1039 C LYS A 64 -10.407 5.728 11.628 1.00 0.23 C ATOM 1040 O LYS A 64 -10.942 4.800 11.025 1.00 0.28 O ATOM 1041 CB LYS A 64 -10.658 5.573 14.149 1.00 0.32 C ATOM 1042 CG LYS A 64 -11.023 4.078 14.158 1.00 1.22 C ATOM 1043 CD LYS A 64 -9.795 3.186 13.972 1.00 2.13 C ATOM 1044 CE LYS A 64 -9.013 3.073 15.284 1.00 2.43 C ATOM 1045 NZ LYS A 64 -9.616 2.071 16.191 1.00 2.75 N ATOM 0 H LYS A 64 -12.820 5.544 11.986 1.00 0.26 H new ATOM 0 HA LYS A 64 -10.775 7.350 12.971 1.00 0.24 H new ATOM 0 HB2 LYS A 64 -9.580 5.675 14.276 1.00 0.32 H new ATOM 0 HB3 LYS A 64 -11.127 6.057 15.006 1.00 0.32 H new ATOM 0 HG2 LYS A 64 -11.511 3.830 15.100 1.00 1.22 H new ATOM 0 HG3 LYS A 64 -11.741 3.876 13.364 1.00 1.22 H new ATOM 0 HD2 LYS A 64 -10.104 2.195 13.639 1.00 2.13 H new ATOM 0 HD3 LYS A 64 -9.153 3.598 13.193 1.00 2.13 H new ATOM 0 HE2 LYS A 64 -7.980 2.797 15.071 1.00 2.43 H new ATOM 0 HE3 LYS A 64 -8.988 4.044 15.778 1.00 2.43 H new ATOM 0 HZ1 LYS A 64 -9.310 2.258 17.167 1.00 2.75 H new ATOM 0 HZ2 LYS A 64 -10.653 2.132 16.135 1.00 2.75 H new ATOM 0 HZ3 LYS A 64 -9.310 1.118 15.909 1.00 2.75 H new ATOM 1059 N PRO A 65 -9.241 6.242 11.224 1.00 0.23 N ATOM 1060 CA PRO A 65 -8.624 5.809 9.988 1.00 0.24 C ATOM 1061 C PRO A 65 -8.107 4.367 10.105 1.00 0.24 C ATOM 1062 O PRO A 65 -7.705 3.929 11.183 1.00 0.32 O ATOM 1063 CB PRO A 65 -7.504 6.811 9.721 1.00 0.27 C ATOM 1064 CG PRO A 65 -7.127 7.304 11.118 1.00 0.29 C ATOM 1065 CD PRO A 65 -8.463 7.288 11.863 1.00 0.26 C ATOM 0 HA PRO A 65 -9.331 5.790 9.159 1.00 0.24 H new ATOM 0 HB2 PRO A 65 -6.658 6.343 9.218 1.00 0.27 H new ATOM 0 HB3 PRO A 65 -7.840 7.629 9.084 1.00 0.27 H new ATOM 0 HG2 PRO A 65 -6.393 6.652 11.592 1.00 0.29 H new ATOM 0 HG3 PRO A 65 -6.693 8.304 11.089 1.00 0.29 H new ATOM 0 HD2 PRO A 65 -8.320 7.081 12.924 1.00 0.26 H new ATOM 0 HD3 PRO A 65 -8.966 8.253 11.791 1.00 0.26 H new ATOM 1073 N PRO A 66 -8.109 3.631 8.987 1.00 0.22 N ATOM 1074 CA PRO A 66 -7.590 2.275 8.885 1.00 0.22 C ATOM 1075 C PRO A 66 -6.070 2.262 9.037 1.00 0.23 C ATOM 1076 O PRO A 66 -5.404 3.285 8.888 1.00 0.33 O ATOM 1077 CB PRO A 66 -8.042 1.763 7.520 1.00 0.27 C ATOM 1078 CG PRO A 66 -8.342 3.015 6.703 1.00 0.37 C ATOM 1079 CD PRO A 66 -8.564 4.130 7.709 1.00 0.28 C ATOM 0 HA PRO A 66 -7.965 1.630 9.680 1.00 0.22 H new ATOM 0 HB2 PRO A 66 -7.265 1.162 7.048 1.00 0.27 H new ATOM 0 HB3 PRO A 66 -8.925 1.130 7.609 1.00 0.27 H new ATOM 0 HG2 PRO A 66 -7.514 3.252 6.035 1.00 0.37 H new ATOM 0 HG3 PRO A 66 -9.224 2.871 6.079 1.00 0.37 H new ATOM 0 HD2 PRO A 66 -8.011 5.025 7.424 1.00 0.28 H new ATOM 0 HD3 PRO A 66 -9.617 4.407 7.754 1.00 0.28 H new ATOM 1087 N LYS A 67 -5.511 1.079 9.295 1.00 0.26 N ATOM 1088 CA LYS A 67 -4.068 0.875 9.337 1.00 0.24 C ATOM 1089 C LYS A 67 -3.713 -0.041 8.180 1.00 0.20 C ATOM 1090 O LYS A 67 -4.555 -0.800 7.705 1.00 0.31 O ATOM 1091 CB LYS A 67 -3.640 0.271 10.689 1.00 0.35 C ATOM 1092 CG LYS A 67 -3.323 1.367 11.720 1.00 0.98 C ATOM 1093 CD LYS A 67 -1.857 1.832 11.655 1.00 0.92 C ATOM 1094 CE LYS A 67 -0.971 1.003 12.605 1.00 1.41 C ATOM 1095 NZ LYS A 67 0.462 1.382 12.530 1.00 1.93 N ATOM 0 H LYS A 67 -6.051 0.234 9.481 1.00 0.26 H new ATOM 0 HA LYS A 67 -3.538 1.823 9.242 1.00 0.24 H new ATOM 0 HB2 LYS A 67 -4.435 -0.370 11.070 1.00 0.35 H new ATOM 0 HB3 LYS A 67 -2.763 -0.360 10.546 1.00 0.35 H new ATOM 0 HG2 LYS A 67 -3.979 2.221 11.551 1.00 0.98 H new ATOM 0 HG3 LYS A 67 -3.538 0.993 12.721 1.00 0.98 H new ATOM 0 HD2 LYS A 67 -1.487 1.739 10.634 1.00 0.92 H new ATOM 0 HD3 LYS A 67 -1.794 2.887 11.922 1.00 0.92 H new ATOM 0 HE2 LYS A 67 -1.323 1.132 13.628 1.00 1.41 H new ATOM 0 HE3 LYS A 67 -1.076 -0.054 12.362 1.00 1.41 H new ATOM 0 HZ1 LYS A 67 1.012 0.794 13.189 1.00 1.93 H new ATOM 0 HZ2 LYS A 67 0.810 1.234 11.561 1.00 1.93 H new ATOM 0 HZ3 LYS A 67 0.570 2.384 12.788 1.00 1.93 H new ATOM 1109 N ILE A 68 -2.466 0.029 7.730 1.00 0.15 N ATOM 1110 CA ILE A 68 -1.957 -0.838 6.682 1.00 0.14 C ATOM 1111 C ILE A 68 -0.630 -1.384 7.171 1.00 0.13 C ATOM 1112 O ILE A 68 0.098 -0.678 7.873 1.00 0.17 O ATOM 1113 CB ILE A 68 -1.761 -0.066 5.366 1.00 0.14 C ATOM 1114 CG1 ILE A 68 -2.785 1.070 5.216 1.00 0.18 C ATOM 1115 CG2 ILE A 68 -1.822 -1.024 4.174 1.00 0.16 C ATOM 1116 CD1 ILE A 68 -2.573 1.807 3.909 1.00 0.26 C ATOM 0 H ILE A 68 -1.778 0.693 8.086 1.00 0.15 H new ATOM 0 HA ILE A 68 -2.666 -1.640 6.477 1.00 0.14 H new ATOM 0 HB ILE A 68 -0.773 0.394 5.391 1.00 0.14 H new ATOM 0 HG12 ILE A 68 -3.796 0.663 5.251 1.00 0.18 H new ATOM 0 HG13 ILE A 68 -2.692 1.764 6.051 1.00 0.18 H new ATOM 0 HG21 ILE A 68 -1.682 -0.464 3.250 1.00 0.16 H new ATOM 0 HG22 ILE A 68 -1.035 -1.772 4.268 1.00 0.16 H new ATOM 0 HG23 ILE A 68 -2.793 -1.519 4.154 1.00 0.16 H new ATOM 0 HD11 ILE A 68 -3.307 2.608 3.820 1.00 0.26 H new ATOM 0 HD12 ILE A 68 -1.569 2.231 3.889 1.00 0.26 H new ATOM 0 HD13 ILE A 68 -2.690 1.113 3.077 1.00 0.26 H new ATOM 1128 N THR A 69 -0.307 -2.616 6.779 1.00 0.12 N ATOM 1129 CA THR A 69 1.000 -3.177 7.058 1.00 0.13 C ATOM 1130 C THR A 69 1.453 -3.976 5.841 1.00 0.15 C ATOM 1131 O THR A 69 0.734 -4.863 5.372 1.00 0.21 O ATOM 1132 CB THR A 69 0.937 -4.054 8.318 1.00 0.18 C ATOM 1133 OG1 THR A 69 0.051 -3.522 9.282 1.00 0.28 O ATOM 1134 CG2 THR A 69 2.318 -4.140 8.960 1.00 0.18 C ATOM 0 H THR A 69 -0.935 -3.237 6.269 1.00 0.12 H new ATOM 0 HA THR A 69 1.723 -2.384 7.249 1.00 0.13 H new ATOM 0 HB THR A 69 0.584 -5.037 8.006 1.00 0.18 H new ATOM 0 HG1 THR A 69 0.035 -4.106 10.069 1.00 0.28 H new ATOM 0 HG21 THR A 69 2.266 -4.763 9.853 1.00 0.18 H new ATOM 0 HG22 THR A 69 3.022 -4.578 8.252 1.00 0.18 H new ATOM 0 HG23 THR A 69 2.655 -3.140 9.235 1.00 0.18 H new ATOM 1142 N PHE A 70 2.632 -3.662 5.303 1.00 0.16 N ATOM 1143 CA PHE A 70 3.210 -4.435 4.219 1.00 0.19 C ATOM 1144 C PHE A 70 3.638 -5.783 4.779 1.00 0.21 C ATOM 1145 O PHE A 70 4.155 -5.868 5.892 1.00 0.21 O ATOM 1146 CB PHE A 70 4.401 -3.717 3.554 1.00 0.21 C ATOM 1147 CG PHE A 70 4.033 -2.550 2.651 1.00 0.20 C ATOM 1148 CD1 PHE A 70 3.105 -1.565 3.048 1.00 0.16 C ATOM 1149 CD2 PHE A 70 4.602 -2.477 1.367 1.00 0.24 C ATOM 1150 CE1 PHE A 70 2.754 -0.532 2.166 1.00 0.17 C ATOM 1151 CE2 PHE A 70 4.266 -1.433 0.488 1.00 0.22 C ATOM 1152 CZ PHE A 70 3.343 -0.456 0.895 1.00 0.19 C ATOM 0 H PHE A 70 3.203 -2.873 5.607 1.00 0.16 H new ATOM 0 HA PHE A 70 2.461 -4.563 3.438 1.00 0.19 H new ATOM 0 HB2 PHE A 70 5.068 -3.354 4.336 1.00 0.21 H new ATOM 0 HB3 PHE A 70 4.963 -4.445 2.969 1.00 0.21 H new ATOM 0 HD1 PHE A 70 2.664 -1.606 4.033 1.00 0.16 H new ATOM 0 HD2 PHE A 70 5.306 -3.233 1.052 1.00 0.24 H new ATOM 0 HE1 PHE A 70 2.027 0.208 2.467 1.00 0.17 H new ATOM 0 HE2 PHE A 70 4.714 -1.383 -0.493 1.00 0.22 H new ATOM 0 HZ PHE A 70 3.086 0.355 0.229 1.00 0.19 H new ATOM 1162 N LYS A 71 3.412 -6.847 4.014 1.00 0.33 N ATOM 1163 CA LYS A 71 3.912 -8.171 4.347 1.00 0.40 C ATOM 1164 C LYS A 71 5.342 -8.306 3.824 1.00 0.44 C ATOM 1165 O LYS A 71 6.182 -8.915 4.482 1.00 0.50 O ATOM 1166 CB LYS A 71 3.023 -9.260 3.732 1.00 0.44 C ATOM 1167 CG LYS A 71 1.503 -9.057 3.867 1.00 0.58 C ATOM 1168 CD LYS A 71 0.957 -9.225 5.290 1.00 0.61 C ATOM 1169 CE LYS A 71 1.036 -7.938 6.119 1.00 0.89 C ATOM 1170 NZ LYS A 71 0.345 -8.102 7.417 1.00 1.30 N ATOM 0 H LYS A 71 2.877 -6.812 3.146 1.00 0.33 H new ATOM 0 HA LYS A 71 3.898 -8.296 5.430 1.00 0.40 H new ATOM 0 HB2 LYS A 71 3.265 -9.341 2.672 1.00 0.44 H new ATOM 0 HB3 LYS A 71 3.283 -10.214 4.192 1.00 0.44 H new ATOM 0 HG2 LYS A 71 1.251 -8.058 3.512 1.00 0.58 H new ATOM 0 HG3 LYS A 71 0.996 -9.766 3.212 1.00 0.58 H new ATOM 0 HD2 LYS A 71 -0.081 -9.554 5.238 1.00 0.61 H new ATOM 0 HD3 LYS A 71 1.516 -10.012 5.797 1.00 0.61 H new ATOM 0 HE2 LYS A 71 2.080 -7.674 6.289 1.00 0.89 H new ATOM 0 HE3 LYS A 71 0.585 -7.115 5.564 1.00 0.89 H new ATOM 0 HZ1 LYS A 71 0.732 -7.425 8.105 1.00 1.30 H new ATOM 0 HZ2 LYS A 71 -0.673 -7.926 7.293 1.00 1.30 H new ATOM 0 HZ3 LYS A 71 0.489 -9.071 7.767 1.00 1.30 H new ATOM 1184 N THR A 72 5.625 -7.791 2.624 1.00 0.44 N ATOM 1185 CA THR A 72 6.929 -7.990 2.014 1.00 0.43 C ATOM 1186 C THR A 72 7.857 -6.831 2.390 1.00 0.56 C ATOM 1187 O THR A 72 7.435 -5.675 2.366 1.00 0.91 O ATOM 1188 CB THR A 72 6.780 -8.140 0.494 1.00 0.37 C ATOM 1189 OG1 THR A 72 6.175 -6.991 -0.064 1.00 0.51 O ATOM 1190 CG2 THR A 72 5.893 -9.339 0.123 1.00 0.28 C ATOM 0 H THR A 72 4.972 -7.240 2.066 1.00 0.44 H new ATOM 0 HA THR A 72 7.378 -8.910 2.390 1.00 0.43 H new ATOM 0 HB THR A 72 7.786 -8.285 0.101 1.00 0.37 H new ATOM 0 HG1 THR A 72 6.863 -6.320 -0.256 1.00 0.51 H new ATOM 0 HG21 THR A 72 5.813 -9.410 -0.962 1.00 0.28 H new ATOM 0 HG22 THR A 72 6.336 -10.254 0.515 1.00 0.28 H new ATOM 0 HG23 THR A 72 4.900 -9.204 0.552 1.00 0.28 H new ATOM 1198 N LYS A 73 9.120 -7.140 2.709 1.00 0.36 N ATOM 1199 CA LYS A 73 10.139 -6.184 3.148 1.00 0.35 C ATOM 1200 C LYS A 73 10.221 -4.974 2.226 1.00 0.52 C ATOM 1201 O LYS A 73 10.263 -5.139 1.012 1.00 0.93 O ATOM 1202 CB LYS A 73 11.504 -6.887 3.186 1.00 0.35 C ATOM 1203 CG LYS A 73 12.007 -7.103 4.608 1.00 0.80 C ATOM 1204 CD LYS A 73 11.083 -7.977 5.458 1.00 0.46 C ATOM 1205 CE LYS A 73 11.801 -8.386 6.748 1.00 0.70 C ATOM 1206 NZ LYS A 73 12.114 -7.230 7.623 1.00 2.31 N ATOM 0 H LYS A 73 9.471 -8.097 2.666 1.00 0.36 H new ATOM 0 HA LYS A 73 9.861 -5.828 4.140 1.00 0.35 H new ATOM 0 HB2 LYS A 73 11.428 -7.850 2.680 1.00 0.35 H new ATOM 0 HB3 LYS A 73 12.231 -6.293 2.633 1.00 0.35 H new ATOM 0 HG2 LYS A 73 12.994 -7.563 4.569 1.00 0.80 H new ATOM 0 HG3 LYS A 73 12.125 -6.134 5.094 1.00 0.80 H new ATOM 0 HD2 LYS A 73 10.169 -7.433 5.696 1.00 0.46 H new ATOM 0 HD3 LYS A 73 10.789 -8.864 4.897 1.00 0.46 H new ATOM 0 HE2 LYS A 73 11.178 -9.093 7.296 1.00 0.70 H new ATOM 0 HE3 LYS A 73 12.725 -8.905 6.495 1.00 0.70 H new ATOM 0 HZ1 LYS A 73 12.687 -7.550 8.430 1.00 2.31 H new ATOM 0 HZ2 LYS A 73 12.645 -6.519 7.082 1.00 2.31 H new ATOM 0 HZ3 LYS A 73 11.229 -6.809 7.972 1.00 2.31 H new ATOM 1220 N ILE A 74 10.298 -3.772 2.802 1.00 0.30 N ATOM 1221 CA ILE A 74 10.184 -2.518 2.071 1.00 0.30 C ATOM 1222 C ILE A 74 11.498 -1.754 2.018 1.00 0.31 C ATOM 1223 O ILE A 74 12.345 -1.906 2.891 1.00 0.46 O ATOM 1224 CB ILE A 74 9.086 -1.632 2.678 1.00 0.36 C ATOM 1225 CG1 ILE A 74 9.333 -1.221 4.139 1.00 0.40 C ATOM 1226 CG2 ILE A 74 7.722 -2.316 2.556 1.00 0.44 C ATOM 1227 CD1 ILE A 74 9.999 0.153 4.240 1.00 0.36 C ATOM 0 H ILE A 74 10.443 -3.646 3.804 1.00 0.30 H new ATOM 0 HA ILE A 74 9.914 -2.777 1.047 1.00 0.30 H new ATOM 0 HB ILE A 74 9.105 -0.709 2.098 1.00 0.36 H new ATOM 0 HG12 ILE A 74 8.385 -1.206 4.677 1.00 0.40 H new ATOM 0 HG13 ILE A 74 9.963 -1.966 4.624 1.00 0.40 H new ATOM 0 HG21 ILE A 74 6.954 -1.676 2.990 1.00 0.44 H new ATOM 0 HG22 ILE A 74 7.496 -2.492 1.504 1.00 0.44 H new ATOM 0 HG23 ILE A 74 7.744 -3.268 3.086 1.00 0.44 H new ATOM 0 HD11 ILE A 74 10.156 0.405 5.289 1.00 0.36 H new ATOM 0 HD12 ILE A 74 10.959 0.131 3.725 1.00 0.36 H new ATOM 0 HD13 ILE A 74 9.357 0.903 3.778 1.00 0.36 H new ATOM 1239 N TYR A 75 11.611 -0.875 1.017 1.00 0.30 N ATOM 1240 CA TYR A 75 12.737 0.042 0.866 1.00 0.35 C ATOM 1241 C TYR A 75 12.295 1.511 0.815 1.00 0.46 C ATOM 1242 O TYR A 75 13.087 2.419 1.040 1.00 1.03 O ATOM 1243 CB TYR A 75 13.545 -0.346 -0.381 1.00 0.52 C ATOM 1244 CG TYR A 75 15.025 -0.223 -0.123 1.00 1.00 C ATOM 1245 CD1 TYR A 75 15.676 1.010 -0.298 1.00 2.60 C ATOM 1246 CD2 TYR A 75 15.717 -1.317 0.418 1.00 1.56 C ATOM 1247 CE1 TYR A 75 17.019 1.155 0.084 1.00 3.12 C ATOM 1248 CE2 TYR A 75 17.056 -1.178 0.810 1.00 1.95 C ATOM 1249 CZ TYR A 75 17.714 0.065 0.656 1.00 2.31 C ATOM 1250 OH TYR A 75 19.007 0.203 1.067 1.00 2.96 O ATOM 0 H TYR A 75 10.911 -0.782 0.281 1.00 0.30 H new ATOM 0 HA TYR A 75 13.371 -0.049 1.748 1.00 0.35 H new ATOM 0 HB2 TYR A 75 13.306 -1.369 -0.670 1.00 0.52 H new ATOM 0 HB3 TYR A 75 13.263 0.295 -1.216 1.00 0.52 H new ATOM 0 HD1 TYR A 75 15.143 1.846 -0.726 1.00 2.60 H new ATOM 0 HD2 TYR A 75 15.218 -2.268 0.533 1.00 1.56 H new ATOM 0 HE1 TYR A 75 17.522 2.100 -0.059 1.00 3.12 H new ATOM 0 HE2 TYR A 75 17.586 -2.020 1.230 1.00 1.95 H new ATOM 0 HH TYR A 75 19.371 1.045 0.723 1.00 2.96 H new ATOM 1260 N HIS A 76 11.023 1.770 0.502 1.00 0.46 N ATOM 1261 CA HIS A 76 10.482 3.122 0.380 1.00 0.38 C ATOM 1262 C HIS A 76 10.235 3.703 1.768 1.00 0.20 C ATOM 1263 O HIS A 76 9.582 3.053 2.579 1.00 0.26 O ATOM 1264 CB HIS A 76 9.166 3.140 -0.422 1.00 0.62 C ATOM 1265 CG HIS A 76 8.498 1.799 -0.519 1.00 1.25 C ATOM 1266 ND1 HIS A 76 7.990 1.144 0.555 1.00 0.93 N flip ATOM 1267 CD2 HIS A 76 8.389 0.979 -1.626 1.00 3.82 C flip ATOM 1268 CE1 HIS A 76 7.514 -0.070 0.106 1.00 2.59 C flip ATOM 1269 NE2 HIS A 76 7.775 -0.151 -1.212 1.00 4.60 N flip ATOM 0 H HIS A 76 10.335 1.038 0.325 1.00 0.46 H new ATOM 0 HA HIS A 76 11.214 3.726 -0.157 1.00 0.38 H new ATOM 0 HB2 HIS A 76 8.478 3.846 0.043 1.00 0.62 H new ATOM 0 HB3 HIS A 76 9.369 3.508 -1.428 1.00 0.62 H new ATOM 0 HD2 HIS A 76 8.729 1.199 -2.627 1.00 3.82 H new ATOM 0 HE1 HIS A 76 7.020 -0.821 0.705 1.00 2.59 H new ATOM 0 HE2 HIS A 76 7.544 -0.946 -1.808 1.00 4.60 H new ATOM 1278 N PRO A 77 10.635 4.956 2.003 1.00 0.22 N ATOM 1279 CA PRO A 77 10.596 5.616 3.302 1.00 0.26 C ATOM 1280 C PRO A 77 9.184 5.855 3.824 1.00 0.29 C ATOM 1281 O PRO A 77 8.997 6.160 4.998 1.00 0.30 O ATOM 1282 CB PRO A 77 11.271 6.965 3.058 1.00 0.38 C ATOM 1283 CG PRO A 77 10.967 7.252 1.592 1.00 0.45 C ATOM 1284 CD PRO A 77 11.125 5.866 0.986 1.00 0.37 C ATOM 0 HA PRO A 77 11.082 4.994 4.053 1.00 0.26 H new ATOM 0 HB2 PRO A 77 10.869 7.740 3.711 1.00 0.38 H new ATOM 0 HB3 PRO A 77 12.344 6.917 3.244 1.00 0.38 H new ATOM 0 HG2 PRO A 77 9.963 7.652 1.450 1.00 0.45 H new ATOM 0 HG3 PRO A 77 11.662 7.973 1.160 1.00 0.45 H new ATOM 0 HD2 PRO A 77 10.554 5.771 0.063 1.00 0.37 H new ATOM 0 HD3 PRO A 77 12.166 5.659 0.739 1.00 0.37 H new ATOM 1292 N ASN A 78 8.187 5.826 2.945 1.00 0.31 N ATOM 1293 CA ASN A 78 6.815 6.160 3.313 1.00 0.35 C ATOM 1294 C ASN A 78 6.216 5.034 4.147 1.00 0.29 C ATOM 1295 O ASN A 78 5.198 5.236 4.810 1.00 0.43 O ATOM 1296 CB ASN A 78 5.957 6.445 2.073 1.00 0.48 C ATOM 1297 CG ASN A 78 6.817 6.912 0.915 1.00 0.83 C ATOM 1298 OD1 ASN A 78 7.279 6.076 0.155 1.00 2.01 O ATOM 1299 ND2 ASN A 78 7.163 8.190 0.840 1.00 2.14 N ATOM 0 H ASN A 78 8.306 5.572 1.964 1.00 0.31 H new ATOM 0 HA ASN A 78 6.829 7.071 3.911 1.00 0.35 H new ATOM 0 HB2 ASN A 78 5.413 5.544 1.787 1.00 0.48 H new ATOM 0 HB3 ASN A 78 5.213 7.206 2.308 1.00 0.48 H new ATOM 0 HD21 ASN A 78 7.832 8.497 0.134 1.00 2.14 H new ATOM 0 HD22 ASN A 78 6.760 8.866 1.489 1.00 2.14 H new ATOM 1306 N ILE A 79 6.844 3.855 4.106 1.00 0.16 N ATOM 1307 CA ILE A 79 6.514 2.721 4.941 1.00 0.16 C ATOM 1308 C ILE A 79 7.745 2.430 5.818 1.00 0.19 C ATOM 1309 O ILE A 79 8.858 2.840 5.494 1.00 0.30 O ATOM 1310 CB ILE A 79 6.063 1.575 4.013 1.00 0.19 C ATOM 1311 CG1 ILE A 79 4.909 2.065 3.108 1.00 0.41 C ATOM 1312 CG2 ILE A 79 5.599 0.330 4.783 1.00 0.20 C ATOM 1313 CD1 ILE A 79 5.256 2.238 1.624 1.00 0.72 C ATOM 0 H ILE A 79 7.618 3.669 3.468 1.00 0.16 H new ATOM 0 HA ILE A 79 5.685 2.888 5.628 1.00 0.16 H new ATOM 0 HB ILE A 79 6.931 1.289 3.419 1.00 0.19 H new ATOM 0 HG12 ILE A 79 4.083 1.359 3.189 1.00 0.41 H new ATOM 0 HG13 ILE A 79 4.551 3.020 3.492 1.00 0.41 H new ATOM 0 HG21 ILE A 79 5.294 -0.442 4.077 1.00 0.20 H new ATOM 0 HG22 ILE A 79 6.418 -0.044 5.398 1.00 0.20 H new ATOM 0 HG23 ILE A 79 4.755 0.591 5.422 1.00 0.20 H new ATOM 0 HD11 ILE A 79 4.376 2.585 1.083 1.00 0.72 H new ATOM 0 HD12 ILE A 79 6.057 2.970 1.521 1.00 0.72 H new ATOM 0 HD13 ILE A 79 5.582 1.283 1.213 1.00 0.72 H new ATOM 1325 N ASP A 80 7.544 1.773 6.957 1.00 0.19 N ATOM 1326 CA ASP A 80 8.554 1.405 7.941 1.00 0.22 C ATOM 1327 C ASP A 80 8.960 -0.048 7.706 1.00 0.21 C ATOM 1328 O ASP A 80 8.237 -0.787 7.043 1.00 0.21 O ATOM 1329 CB ASP A 80 7.897 1.520 9.317 1.00 0.28 C ATOM 1330 CG ASP A 80 8.735 0.956 10.455 1.00 0.37 C ATOM 1331 OD1 ASP A 80 8.145 0.192 11.256 1.00 2.13 O ATOM 1332 OD2 ASP A 80 9.953 1.235 10.467 1.00 1.87 O ATOM 0 H ASP A 80 6.612 1.465 7.233 1.00 0.19 H new ATOM 0 HA ASP A 80 9.433 2.045 7.868 1.00 0.22 H new ATOM 0 HB2 ASP A 80 7.687 2.570 9.521 1.00 0.28 H new ATOM 0 HB3 ASP A 80 6.938 1.002 9.294 1.00 0.28 H new ATOM 1337 N GLU A 81 10.074 -0.498 8.283 1.00 0.25 N ATOM 1338 CA GLU A 81 10.510 -1.886 8.156 1.00 0.29 C ATOM 1339 C GLU A 81 9.445 -2.874 8.624 1.00 0.28 C ATOM 1340 O GLU A 81 9.288 -3.937 8.026 1.00 0.34 O ATOM 1341 CB GLU A 81 11.814 -2.139 8.926 1.00 0.40 C ATOM 1342 CG GLU A 81 13.017 -2.348 7.988 1.00 1.04 C ATOM 1343 CD GLU A 81 13.637 -3.740 8.167 1.00 2.76 C ATOM 1344 OE1 GLU A 81 14.717 -3.817 8.790 1.00 3.63 O ATOM 1345 OE2 GLU A 81 13.017 -4.726 7.695 1.00 4.01 O ATOM 0 H GLU A 81 10.694 0.084 8.846 1.00 0.25 H new ATOM 0 HA GLU A 81 10.685 -2.050 7.093 1.00 0.29 H new ATOM 0 HB2 GLU A 81 12.013 -1.294 9.586 1.00 0.40 H new ATOM 0 HB3 GLU A 81 11.694 -3.017 9.560 1.00 0.40 H new ATOM 0 HG2 GLU A 81 12.699 -2.221 6.953 1.00 1.04 H new ATOM 0 HG3 GLU A 81 13.770 -1.585 8.186 1.00 1.04 H new ATOM 1352 N LYS A 82 8.677 -2.539 9.664 1.00 0.26 N ATOM 1353 CA LYS A 82 7.589 -3.409 10.104 1.00 0.27 C ATOM 1354 C LYS A 82 6.354 -3.240 9.215 1.00 0.25 C ATOM 1355 O LYS A 82 5.239 -3.502 9.655 1.00 0.30 O ATOM 1356 CB LYS A 82 7.297 -3.103 11.579 1.00 0.29 C ATOM 1357 CG LYS A 82 8.267 -3.851 12.500 1.00 0.76 C ATOM 1358 CD LYS A 82 8.796 -2.933 13.606 1.00 1.07 C ATOM 1359 CE LYS A 82 9.616 -3.731 14.624 1.00 1.60 C ATOM 1360 NZ LYS A 82 8.763 -4.597 15.468 1.00 2.06 N ATOM 0 H LYS A 82 8.787 -1.684 10.209 1.00 0.26 H new ATOM 0 HA LYS A 82 7.880 -4.455 10.012 1.00 0.27 H new ATOM 0 HB2 LYS A 82 7.378 -2.030 11.754 1.00 0.29 H new ATOM 0 HB3 LYS A 82 6.272 -3.388 11.817 1.00 0.29 H new ATOM 0 HG2 LYS A 82 7.762 -4.708 12.945 1.00 0.76 H new ATOM 0 HG3 LYS A 82 9.101 -4.240 11.916 1.00 0.76 H new ATOM 0 HD2 LYS A 82 9.413 -2.148 13.170 1.00 1.07 H new ATOM 0 HD3 LYS A 82 7.962 -2.442 14.108 1.00 1.07 H new ATOM 0 HE2 LYS A 82 10.348 -4.345 14.099 1.00 1.60 H new ATOM 0 HE3 LYS A 82 10.174 -3.043 15.259 1.00 1.60 H new ATOM 0 HZ1 LYS A 82 9.329 -4.988 16.248 1.00 2.06 H new ATOM 0 HZ2 LYS A 82 7.977 -4.037 15.857 1.00 2.06 H new ATOM 0 HZ3 LYS A 82 8.382 -5.376 14.893 1.00 2.06 H new ATOM 1374 N GLY A 83 6.516 -2.778 7.975 1.00 0.21 N ATOM 1375 CA GLY A 83 5.446 -2.575 7.025 1.00 0.19 C ATOM 1376 C GLY A 83 4.497 -1.448 7.417 1.00 0.18 C ATOM 1377 O GLY A 83 3.538 -1.210 6.689 1.00 0.20 O ATOM 0 H GLY A 83 7.432 -2.529 7.601 1.00 0.21 H new ATOM 0 HA2 GLY A 83 5.875 -2.356 6.047 1.00 0.19 H new ATOM 0 HA3 GLY A 83 4.878 -3.500 6.924 1.00 0.19 H new ATOM 1381 N GLN A 84 4.718 -0.765 8.542 1.00 0.20 N ATOM 1382 CA GLN A 84 3.781 0.228 9.035 1.00 0.21 C ATOM 1383 C GLN A 84 3.738 1.414 8.088 1.00 0.19 C ATOM 1384 O GLN A 84 4.745 1.753 7.480 1.00 0.23 O ATOM 1385 CB GLN A 84 4.217 0.738 10.406 1.00 0.24 C ATOM 1386 CG GLN A 84 4.303 -0.369 11.453 1.00 0.48 C ATOM 1387 CD GLN A 84 4.570 0.270 12.803 1.00 0.86 C ATOM 1388 OE1 GLN A 84 3.625 0.580 13.526 1.00 1.06 O ATOM 1389 NE2 GLN A 84 5.835 0.528 13.122 1.00 1.46 N ATOM 0 H GLN A 84 5.545 -0.888 9.127 1.00 0.20 H new ATOM 0 HA GLN A 84 2.799 -0.241 9.106 1.00 0.21 H new ATOM 0 HB2 GLN A 84 5.190 1.222 10.315 1.00 0.24 H new ATOM 0 HB3 GLN A 84 3.514 1.498 10.746 1.00 0.24 H new ATOM 0 HG2 GLN A 84 3.374 -0.939 11.480 1.00 0.48 H new ATOM 0 HG3 GLN A 84 5.099 -1.069 11.200 1.00 0.48 H new ATOM 0 HE21 GLN A 84 6.587 0.252 12.490 1.00 1.46 H new ATOM 0 HE22 GLN A 84 6.053 1.002 13.998 1.00 1.46 H new ATOM 1398 N VAL A 85 2.603 2.094 8.006 1.00 0.17 N ATOM 1399 CA VAL A 85 2.457 3.206 7.087 1.00 0.15 C ATOM 1400 C VAL A 85 2.088 4.476 7.846 1.00 0.17 C ATOM 1401 O VAL A 85 1.449 4.404 8.895 1.00 0.20 O ATOM 1402 CB VAL A 85 1.412 2.836 6.035 1.00 0.15 C ATOM 1403 CG1 VAL A 85 1.784 1.540 5.311 1.00 0.23 C ATOM 1404 CG2 VAL A 85 0.018 2.681 6.637 1.00 0.21 C ATOM 0 H VAL A 85 1.774 1.893 8.565 1.00 0.17 H new ATOM 0 HA VAL A 85 3.401 3.407 6.580 1.00 0.15 H new ATOM 0 HB VAL A 85 1.396 3.661 5.323 1.00 0.15 H new ATOM 0 HG11 VAL A 85 1.020 1.305 4.570 1.00 0.23 H new ATOM 0 HG12 VAL A 85 2.746 1.664 4.814 1.00 0.23 H new ATOM 0 HG13 VAL A 85 1.851 0.726 6.033 1.00 0.23 H new ATOM 0 HG21 VAL A 85 -0.690 2.418 5.851 1.00 0.21 H new ATOM 0 HG22 VAL A 85 0.033 1.894 7.391 1.00 0.21 H new ATOM 0 HG23 VAL A 85 -0.285 3.620 7.099 1.00 0.21 H new ATOM 1414 N CYS A 86 2.461 5.642 7.309 1.00 0.17 N ATOM 1415 CA CYS A 86 1.947 6.912 7.790 1.00 0.20 C ATOM 1416 C CYS A 86 1.744 7.834 6.585 1.00 0.21 C ATOM 1417 O CYS A 86 2.655 8.573 6.223 1.00 0.29 O ATOM 1418 CB CYS A 86 2.905 7.519 8.823 1.00 0.27 C ATOM 1419 SG CYS A 86 2.022 8.734 9.837 1.00 0.43 S ATOM 0 H CYS A 86 3.122 5.724 6.536 1.00 0.17 H new ATOM 0 HA CYS A 86 0.990 6.772 8.293 1.00 0.20 H new ATOM 0 HB2 CYS A 86 3.317 6.733 9.456 1.00 0.27 H new ATOM 0 HB3 CYS A 86 3.746 7.995 8.318 1.00 0.27 H new ATOM 0 HG CYS A 86 2.837 9.244 10.712 1.00 0.43 H new ATOM 1425 N LEU A 87 0.579 7.769 5.932 1.00 0.18 N ATOM 1426 CA LEU A 87 0.247 8.625 4.801 1.00 0.19 C ATOM 1427 C LEU A 87 -0.950 9.482 5.202 1.00 0.20 C ATOM 1428 O LEU A 87 -1.784 9.022 5.983 1.00 0.20 O ATOM 1429 CB LEU A 87 -0.130 7.795 3.563 1.00 0.18 C ATOM 1430 CG LEU A 87 0.940 6.877 2.969 1.00 0.19 C ATOM 1431 CD1 LEU A 87 2.304 7.550 2.866 1.00 0.25 C ATOM 1432 CD2 LEU A 87 1.096 5.564 3.725 1.00 0.20 C ATOM 0 H LEU A 87 -0.162 7.114 6.180 1.00 0.18 H new ATOM 0 HA LEU A 87 1.113 9.236 4.548 1.00 0.19 H new ATOM 0 HB2 LEU A 87 -0.993 7.181 3.821 1.00 0.18 H new ATOM 0 HB3 LEU A 87 -0.451 8.484 2.782 1.00 0.18 H new ATOM 0 HG LEU A 87 0.575 6.657 1.966 1.00 0.19 H new ATOM 0 HD11 LEU A 87 3.023 6.851 2.438 1.00 0.25 H new ATOM 0 HD12 LEU A 87 2.228 8.430 2.227 1.00 0.25 H new ATOM 0 HD13 LEU A 87 2.637 7.851 3.859 1.00 0.25 H new ATOM 0 HD21 LEU A 87 1.871 4.961 3.251 1.00 0.20 H new ATOM 0 HD22 LEU A 87 1.378 5.770 4.758 1.00 0.20 H new ATOM 0 HD23 LEU A 87 0.152 5.020 3.708 1.00 0.20 H new ATOM 1444 N PRO A 88 -1.100 10.689 4.635 1.00 0.21 N ATOM 1445 CA PRO A 88 -2.184 11.596 4.982 1.00 0.23 C ATOM 1446 C PRO A 88 -3.561 10.963 4.781 1.00 0.25 C ATOM 1447 O PRO A 88 -4.473 11.234 5.553 1.00 0.45 O ATOM 1448 CB PRO A 88 -1.971 12.861 4.147 1.00 0.32 C ATOM 1449 CG PRO A 88 -1.037 12.416 3.022 1.00 0.29 C ATOM 1450 CD PRO A 88 -0.212 11.303 3.665 1.00 0.23 C ATOM 0 HA PRO A 88 -2.165 11.841 6.044 1.00 0.23 H new ATOM 0 HB2 PRO A 88 -2.914 13.242 3.754 1.00 0.32 H new ATOM 0 HB3 PRO A 88 -1.527 13.660 4.741 1.00 0.32 H new ATOM 0 HG2 PRO A 88 -1.594 12.055 2.157 1.00 0.29 H new ATOM 0 HG3 PRO A 88 -0.406 13.235 2.676 1.00 0.29 H new ATOM 0 HD2 PRO A 88 0.121 10.579 2.921 1.00 0.23 H new ATOM 0 HD3 PRO A 88 0.682 11.701 4.145 1.00 0.23 H new ATOM 1458 N VAL A 89 -3.710 10.080 3.794 1.00 0.22 N ATOM 1459 CA VAL A 89 -4.975 9.414 3.477 1.00 0.21 C ATOM 1460 C VAL A 89 -5.582 8.689 4.684 1.00 0.22 C ATOM 1461 O VAL A 89 -6.797 8.510 4.738 1.00 0.26 O ATOM 1462 CB VAL A 89 -4.811 8.470 2.268 1.00 0.20 C ATOM 1463 CG1 VAL A 89 -4.605 9.307 1.004 1.00 0.21 C ATOM 1464 CG2 VAL A 89 -3.629 7.504 2.429 1.00 0.21 C ATOM 0 H VAL A 89 -2.943 9.802 3.182 1.00 0.22 H new ATOM 0 HA VAL A 89 -5.686 10.194 3.205 1.00 0.21 H new ATOM 0 HB VAL A 89 -5.717 7.869 2.197 1.00 0.20 H new ATOM 0 HG11 VAL A 89 -4.488 8.646 0.145 1.00 0.21 H new ATOM 0 HG12 VAL A 89 -5.470 9.953 0.850 1.00 0.21 H new ATOM 0 HG13 VAL A 89 -3.710 9.919 1.115 1.00 0.21 H new ATOM 0 HG21 VAL A 89 -3.560 6.863 1.550 1.00 0.21 H new ATOM 0 HG22 VAL A 89 -2.706 8.073 2.536 1.00 0.21 H new ATOM 0 HG23 VAL A 89 -3.780 6.888 3.316 1.00 0.21 H new ATOM 1474 N ILE A 90 -4.749 8.257 5.636 1.00 0.21 N ATOM 1475 CA ILE A 90 -5.172 7.592 6.866 1.00 0.20 C ATOM 1476 C ILE A 90 -4.510 8.222 8.091 1.00 0.22 C ATOM 1477 O ILE A 90 -4.458 7.619 9.161 1.00 0.23 O ATOM 1478 CB ILE A 90 -4.873 6.091 6.761 1.00 0.19 C ATOM 1479 CG1 ILE A 90 -3.370 5.851 6.538 1.00 0.20 C ATOM 1480 CG2 ILE A 90 -5.713 5.516 5.614 1.00 0.19 C ATOM 1481 CD1 ILE A 90 -3.048 4.375 6.344 1.00 0.21 C ATOM 0 H ILE A 90 -3.737 8.364 5.568 1.00 0.21 H new ATOM 0 HA ILE A 90 -6.247 7.722 6.994 1.00 0.20 H new ATOM 0 HB ILE A 90 -5.137 5.587 7.690 1.00 0.19 H new ATOM 0 HG12 ILE A 90 -3.040 6.412 5.664 1.00 0.20 H new ATOM 0 HG13 ILE A 90 -2.812 6.234 7.392 1.00 0.20 H new ATOM 0 HG21 ILE A 90 -5.517 4.448 5.520 1.00 0.19 H new ATOM 0 HG22 ILE A 90 -6.771 5.674 5.823 1.00 0.19 H new ATOM 0 HG23 ILE A 90 -5.449 6.017 4.683 1.00 0.19 H new ATOM 0 HD11 ILE A 90 -1.976 4.254 6.190 1.00 0.21 H new ATOM 0 HD12 ILE A 90 -3.353 3.817 7.229 1.00 0.21 H new ATOM 0 HD13 ILE A 90 -3.585 3.997 5.474 1.00 0.21 H new ATOM 1493 N SER A 91 -3.986 9.435 7.953 1.00 0.24 N ATOM 1494 CA SER A 91 -3.410 10.148 9.072 1.00 0.27 C ATOM 1495 C SER A 91 -4.550 10.640 9.955 1.00 0.35 C ATOM 1496 O SER A 91 -5.620 10.956 9.446 1.00 0.45 O ATOM 1497 CB SER A 91 -2.598 11.313 8.518 1.00 0.32 C ATOM 1498 OG SER A 91 -2.099 12.111 9.574 1.00 0.52 O ATOM 0 H SER A 91 -3.952 9.942 7.069 1.00 0.24 H new ATOM 0 HA SER A 91 -2.754 9.513 9.668 1.00 0.27 H new ATOM 0 HB2 SER A 91 -1.771 10.935 7.917 1.00 0.32 H new ATOM 0 HB3 SER A 91 -3.221 11.918 7.859 1.00 0.32 H new ATOM 0 HG SER A 91 -1.578 12.854 9.204 1.00 0.52 H new ATOM 1504 N ALA A 92 -4.331 10.758 11.266 1.00 0.40 N ATOM 1505 CA ALA A 92 -5.336 11.321 12.159 1.00 0.55 C ATOM 1506 C ALA A 92 -5.676 12.750 11.725 1.00 0.65 C ATOM 1507 O ALA A 92 -6.844 13.111 11.614 1.00 0.75 O ATOM 1508 CB ALA A 92 -4.828 11.281 13.602 1.00 0.67 C ATOM 0 H ALA A 92 -3.468 10.471 11.728 1.00 0.40 H new ATOM 0 HA ALA A 92 -6.248 10.727 12.105 1.00 0.55 H new ATOM 0 HB1 ALA A 92 -5.583 11.703 14.265 1.00 0.67 H new ATOM 0 HB2 ALA A 92 -4.629 10.249 13.889 1.00 0.67 H new ATOM 0 HB3 ALA A 92 -3.910 11.863 13.681 1.00 0.67 H new ATOM 1514 N GLU A 93 -4.650 13.549 11.429 1.00 0.69 N ATOM 1515 CA GLU A 93 -4.796 14.935 10.990 1.00 0.87 C ATOM 1516 C GLU A 93 -5.584 15.043 9.683 1.00 0.84 C ATOM 1517 O GLU A 93 -6.144 16.091 9.368 1.00 1.04 O ATOM 1518 CB GLU A 93 -3.396 15.543 10.812 1.00 1.05 C ATOM 1519 CG GLU A 93 -2.820 16.036 12.143 1.00 1.16 C ATOM 1520 CD GLU A 93 -3.361 17.425 12.485 1.00 1.85 C ATOM 1521 OE1 GLU A 93 -2.567 18.388 12.393 1.00 2.49 O ATOM 1522 OE2 GLU A 93 -4.567 17.501 12.805 1.00 3.16 O ATOM 0 H GLU A 93 -3.678 13.245 11.489 1.00 0.69 H new ATOM 0 HA GLU A 93 -5.357 15.481 11.748 1.00 0.87 H new ATOM 0 HB2 GLU A 93 -2.728 14.798 10.380 1.00 1.05 H new ATOM 0 HB3 GLU A 93 -3.446 16.373 10.107 1.00 1.05 H new ATOM 0 HG2 GLU A 93 -3.076 15.335 12.938 1.00 1.16 H new ATOM 0 HG3 GLU A 93 -1.732 16.068 12.084 1.00 1.16 H new ATOM 1529 N ASN A 94 -5.602 13.993 8.861 1.00 0.71 N ATOM 1530 CA ASN A 94 -6.326 13.997 7.593 1.00 0.71 C ATOM 1531 C ASN A 94 -7.343 12.854 7.574 1.00 0.63 C ATOM 1532 O ASN A 94 -7.762 12.407 6.509 1.00 0.64 O ATOM 1533 CB ASN A 94 -5.330 13.955 6.420 1.00 0.75 C ATOM 1534 CG ASN A 94 -4.902 15.321 5.895 1.00 1.32 C ATOM 1535 OD1 ASN A 94 -4.652 15.472 4.707 1.00 2.15 O ATOM 1536 ND2 ASN A 94 -4.794 16.340 6.737 1.00 1.53 N ATOM 0 H ASN A 94 -5.115 13.118 9.057 1.00 0.71 H new ATOM 0 HA ASN A 94 -6.894 14.920 7.481 1.00 0.71 H new ATOM 0 HB2 ASN A 94 -4.442 13.408 6.736 1.00 0.75 H new ATOM 0 HB3 ASN A 94 -5.778 13.391 5.602 1.00 0.75 H new ATOM 0 HD21 ASN A 94 -4.501 17.255 6.395 1.00 1.53 H new ATOM 0 HD22 ASN A 94 -5.004 16.208 7.726 1.00 1.53 H new ATOM 1543 N TRP A 95 -7.816 12.422 8.746 1.00 0.60 N ATOM 1544 CA TRP A 95 -8.836 11.395 8.832 1.00 0.54 C ATOM 1545 C TRP A 95 -10.112 11.961 8.221 1.00 0.52 C ATOM 1546 O TRP A 95 -10.675 12.936 8.717 1.00 0.63 O ATOM 1547 CB TRP A 95 -9.037 10.965 10.291 1.00 0.54 C ATOM 1548 CG TRP A 95 -10.353 10.331 10.634 1.00 0.49 C ATOM 1549 CD1 TRP A 95 -10.972 9.321 9.978 1.00 0.47 C ATOM 1550 CD2 TRP A 95 -11.250 10.712 11.718 1.00 0.49 C ATOM 1551 NE1 TRP A 95 -12.204 9.080 10.559 1.00 0.45 N ATOM 1552 CE2 TRP A 95 -12.441 9.941 11.613 1.00 0.46 C ATOM 1553 CE3 TRP A 95 -11.177 11.651 12.770 1.00 0.55 C ATOM 1554 CZ2 TRP A 95 -13.528 10.134 12.478 1.00 0.48 C ATOM 1555 CZ3 TRP A 95 -12.245 11.819 13.670 1.00 0.59 C ATOM 1556 CH2 TRP A 95 -13.423 11.068 13.521 1.00 0.56 C ATOM 0 H TRP A 95 -7.501 12.776 9.649 1.00 0.60 H new ATOM 0 HA TRP A 95 -8.540 10.501 8.283 1.00 0.54 H new ATOM 0 HB2 TRP A 95 -8.244 10.264 10.551 1.00 0.54 H new ATOM 0 HB3 TRP A 95 -8.907 11.842 10.925 1.00 0.54 H new ATOM 0 HD1 TRP A 95 -10.566 8.786 9.132 1.00 0.47 H new ATOM 0 HE1 TRP A 95 -12.855 8.358 10.249 1.00 0.45 H new ATOM 0 HE3 TRP A 95 -10.286 12.250 12.886 1.00 0.55 H new ATOM 0 HZ2 TRP A 95 -14.438 9.569 12.343 1.00 0.48 H new ATOM 0 HZ3 TRP A 95 -12.159 12.529 14.479 1.00 0.59 H new ATOM 0 HH2 TRP A 95 -14.245 11.209 14.207 1.00 0.56 H new ATOM 1567 N LYS A 96 -10.546 11.366 7.113 1.00 0.49 N ATOM 1568 CA LYS A 96 -11.726 11.768 6.370 1.00 0.52 C ATOM 1569 C LYS A 96 -12.552 10.503 6.218 1.00 0.53 C ATOM 1570 O LYS A 96 -12.118 9.605 5.505 1.00 0.55 O ATOM 1571 CB LYS A 96 -11.308 12.326 4.992 1.00 0.59 C ATOM 1572 CG LYS A 96 -11.249 13.859 4.904 1.00 0.70 C ATOM 1573 CD LYS A 96 -10.589 14.503 6.124 1.00 0.94 C ATOM 1574 CE LYS A 96 -10.074 15.911 5.833 1.00 1.32 C ATOM 1575 NZ LYS A 96 -9.663 16.591 7.083 1.00 2.39 N ATOM 0 H LYS A 96 -10.068 10.566 6.699 1.00 0.49 H new ATOM 0 HA LYS A 96 -12.291 12.552 6.873 1.00 0.52 H new ATOM 0 HB2 LYS A 96 -10.328 11.924 4.736 1.00 0.59 H new ATOM 0 HB3 LYS A 96 -12.008 11.960 4.241 1.00 0.59 H new ATOM 0 HG2 LYS A 96 -10.699 14.145 4.007 1.00 0.70 H new ATOM 0 HG3 LYS A 96 -12.261 14.250 4.796 1.00 0.70 H new ATOM 0 HD2 LYS A 96 -11.307 14.544 6.943 1.00 0.94 H new ATOM 0 HD3 LYS A 96 -9.761 13.878 6.458 1.00 0.94 H new ATOM 0 HE2 LYS A 96 -9.228 15.859 5.147 1.00 1.32 H new ATOM 0 HE3 LYS A 96 -10.851 16.492 5.337 1.00 1.32 H new ATOM 0 HZ1 LYS A 96 -9.317 17.546 6.861 1.00 2.39 H new ATOM 0 HZ2 LYS A 96 -10.478 16.659 7.725 1.00 2.39 H new ATOM 0 HZ3 LYS A 96 -8.905 16.046 7.542 1.00 2.39 H new ATOM 1589 N PRO A 97 -13.734 10.404 6.833 1.00 0.52 N ATOM 1590 CA PRO A 97 -14.582 9.232 6.677 1.00 0.56 C ATOM 1591 C PRO A 97 -15.108 9.115 5.247 1.00 0.60 C ATOM 1592 O PRO A 97 -15.473 8.032 4.804 1.00 0.83 O ATOM 1593 CB PRO A 97 -15.692 9.403 7.713 1.00 0.60 C ATOM 1594 CG PRO A 97 -15.785 10.914 7.906 1.00 0.58 C ATOM 1595 CD PRO A 97 -14.340 11.376 7.725 1.00 0.52 C ATOM 0 HA PRO A 97 -14.041 8.300 6.844 1.00 0.56 H new ATOM 0 HB2 PRO A 97 -16.635 8.987 7.360 1.00 0.60 H new ATOM 0 HB3 PRO A 97 -15.449 8.895 8.646 1.00 0.60 H new ATOM 0 HG2 PRO A 97 -16.450 11.374 7.175 1.00 0.58 H new ATOM 0 HG3 PRO A 97 -16.170 11.171 8.893 1.00 0.58 H new ATOM 0 HD2 PRO A 97 -14.298 12.379 7.300 1.00 0.52 H new ATOM 0 HD3 PRO A 97 -13.817 11.413 8.680 1.00 0.52 H new ATOM 1603 N ALA A 98 -15.126 10.222 4.502 1.00 0.55 N ATOM 1604 CA ALA A 98 -15.446 10.215 3.085 1.00 0.59 C ATOM 1605 C ALA A 98 -14.426 9.423 2.259 1.00 0.57 C ATOM 1606 O ALA A 98 -14.763 8.954 1.174 1.00 0.61 O ATOM 1607 CB ALA A 98 -15.517 11.662 2.601 1.00 0.61 C ATOM 0 H ALA A 98 -14.917 11.149 4.872 1.00 0.55 H new ATOM 0 HA ALA A 98 -16.406 9.717 2.948 1.00 0.59 H new ATOM 0 HB1 ALA A 98 -15.757 11.679 1.538 1.00 0.61 H new ATOM 0 HB2 ALA A 98 -16.290 12.194 3.156 1.00 0.61 H new ATOM 0 HB3 ALA A 98 -14.555 12.148 2.764 1.00 0.61 H new ATOM 1613 N THR A 99 -13.180 9.300 2.734 1.00 0.56 N ATOM 1614 CA THR A 99 -12.152 8.550 2.027 1.00 0.55 C ATOM 1615 C THR A 99 -12.568 7.082 1.950 1.00 0.55 C ATOM 1616 O THR A 99 -13.368 6.627 2.767 1.00 0.55 O ATOM 1617 CB THR A 99 -10.788 8.747 2.719 1.00 0.54 C ATOM 1618 OG1 THR A 99 -9.766 8.761 1.752 1.00 0.58 O ATOM 1619 CG2 THR A 99 -10.427 7.668 3.748 1.00 0.56 C ATOM 0 H THR A 99 -12.865 9.716 3.611 1.00 0.56 H new ATOM 0 HA THR A 99 -12.043 8.917 1.006 1.00 0.55 H new ATOM 0 HB THR A 99 -10.877 9.692 3.255 1.00 0.54 H new ATOM 0 HG1 THR A 99 -8.900 8.888 2.193 1.00 0.58 H new ATOM 0 HG21 THR A 99 -9.452 7.890 4.182 1.00 0.56 H new ATOM 0 HG22 THR A 99 -11.179 7.651 4.536 1.00 0.56 H new ATOM 0 HG23 THR A 99 -10.393 6.695 3.258 1.00 0.56 H new ATOM 1627 N LYS A 100 -12.001 6.313 1.020 1.00 0.60 N ATOM 1628 CA LYS A 100 -12.224 4.873 0.994 1.00 0.48 C ATOM 1629 C LYS A 100 -10.931 4.145 0.682 1.00 0.34 C ATOM 1630 O LYS A 100 -9.890 4.767 0.476 1.00 0.34 O ATOM 1631 CB LYS A 100 -13.361 4.486 0.034 1.00 0.51 C ATOM 1632 CG LYS A 100 -13.116 4.707 -1.467 1.00 2.56 C ATOM 1633 CD LYS A 100 -13.753 5.995 -2.007 1.00 2.89 C ATOM 1634 CE LYS A 100 -13.837 5.960 -3.541 1.00 4.51 C ATOM 1635 NZ LYS A 100 -14.899 5.065 -4.054 1.00 4.18 N ATOM 0 H LYS A 100 -11.390 6.662 0.282 1.00 0.60 H new ATOM 0 HA LYS A 100 -12.549 4.560 1.986 1.00 0.48 H new ATOM 0 HB2 LYS A 100 -13.589 3.431 0.188 1.00 0.51 H new ATOM 0 HB3 LYS A 100 -14.250 5.049 0.318 1.00 0.51 H new ATOM 0 HG2 LYS A 100 -12.042 4.737 -1.651 1.00 2.56 H new ATOM 0 HG3 LYS A 100 -13.511 3.855 -2.021 1.00 2.56 H new ATOM 0 HD2 LYS A 100 -14.751 6.117 -1.586 1.00 2.89 H new ATOM 0 HD3 LYS A 100 -13.166 6.857 -1.690 1.00 2.89 H new ATOM 0 HE2 LYS A 100 -14.014 6.970 -3.910 1.00 4.51 H new ATOM 0 HE3 LYS A 100 -12.876 5.638 -3.942 1.00 4.51 H new ATOM 0 HZ1 LYS A 100 -15.003 5.202 -5.080 1.00 4.18 H new ATOM 0 HZ2 LYS A 100 -14.642 4.076 -3.861 1.00 4.18 H new ATOM 0 HZ3 LYS A 100 -15.799 5.287 -3.582 1.00 4.18 H new ATOM 1649 N THR A 101 -11.001 2.819 0.620 1.00 0.28 N ATOM 1650 CA THR A 101 -9.873 1.978 0.272 1.00 0.23 C ATOM 1651 C THR A 101 -9.242 2.373 -1.050 1.00 0.17 C ATOM 1652 O THR A 101 -8.044 2.187 -1.193 1.00 0.24 O ATOM 1653 CB THR A 101 -10.304 0.519 0.184 1.00 0.28 C ATOM 1654 OG1 THR A 101 -11.682 0.475 -0.120 1.00 0.44 O ATOM 1655 CG2 THR A 101 -10.029 -0.210 1.493 1.00 0.31 C ATOM 0 H THR A 101 -11.856 2.297 0.813 1.00 0.28 H new ATOM 0 HA THR A 101 -9.134 2.112 1.062 1.00 0.23 H new ATOM 0 HB THR A 101 -9.732 0.020 -0.598 1.00 0.28 H new ATOM 0 HG1 THR A 101 -12.022 -0.432 0.031 1.00 0.44 H new ATOM 0 HG21 THR A 101 -10.346 -1.249 1.404 1.00 0.31 H new ATOM 0 HG22 THR A 101 -8.962 -0.173 1.713 1.00 0.31 H new ATOM 0 HG23 THR A 101 -10.582 0.270 2.300 1.00 0.31 H new ATOM 1663 N ASP A 102 -9.996 2.902 -2.014 1.00 0.22 N ATOM 1664 CA ASP A 102 -9.391 3.384 -3.254 1.00 0.29 C ATOM 1665 C ASP A 102 -8.335 4.439 -2.924 1.00 0.24 C ATOM 1666 O ASP A 102 -7.190 4.330 -3.350 1.00 0.28 O ATOM 1667 CB ASP A 102 -10.458 3.861 -4.253 1.00 0.50 C ATOM 1668 CG ASP A 102 -10.324 5.341 -4.600 1.00 1.26 C ATOM 1669 OD1 ASP A 102 -9.604 5.651 -5.570 1.00 2.95 O ATOM 1670 OD2 ASP A 102 -10.936 6.134 -3.853 1.00 1.63 O ATOM 0 H ASP A 102 -11.009 3.006 -1.962 1.00 0.22 H new ATOM 0 HA ASP A 102 -8.881 2.565 -3.761 1.00 0.29 H new ATOM 0 HB2 ASP A 102 -10.384 3.270 -5.166 1.00 0.50 H new ATOM 0 HB3 ASP A 102 -11.448 3.679 -3.835 1.00 0.50 H new ATOM 1675 N GLN A 103 -8.694 5.418 -2.094 1.00 0.23 N ATOM 1676 CA GLN A 103 -7.787 6.482 -1.693 1.00 0.22 C ATOM 1677 C GLN A 103 -6.622 5.954 -0.871 1.00 0.17 C ATOM 1678 O GLN A 103 -5.544 6.542 -0.883 1.00 0.24 O ATOM 1679 CB GLN A 103 -8.557 7.573 -0.951 1.00 0.32 C ATOM 1680 CG GLN A 103 -9.745 8.028 -1.812 1.00 0.42 C ATOM 1681 CD GLN A 103 -10.223 9.433 -1.477 1.00 0.57 C ATOM 1682 OE1 GLN A 103 -11.368 9.641 -1.095 1.00 1.82 O ATOM 1683 NE2 GLN A 103 -9.362 10.429 -1.638 1.00 2.05 N ATOM 0 H GLN A 103 -9.624 5.492 -1.683 1.00 0.23 H new ATOM 0 HA GLN A 103 -7.354 6.919 -2.593 1.00 0.22 H new ATOM 0 HB2 GLN A 103 -8.911 7.196 0.009 1.00 0.32 H new ATOM 0 HB3 GLN A 103 -7.901 8.418 -0.739 1.00 0.32 H new ATOM 0 HG2 GLN A 103 -9.460 7.989 -2.863 1.00 0.42 H new ATOM 0 HG3 GLN A 103 -10.571 7.329 -1.680 1.00 0.42 H new ATOM 0 HE21 GLN A 103 -8.413 10.236 -1.957 1.00 2.05 H new ATOM 0 HE22 GLN A 103 -9.649 11.388 -1.443 1.00 2.05 H new ATOM 1692 N VAL A 104 -6.803 4.844 -0.161 1.00 0.17 N ATOM 1693 CA VAL A 104 -5.700 4.264 0.577 1.00 0.15 C ATOM 1694 C VAL A 104 -4.710 3.620 -0.394 1.00 0.13 C ATOM 1695 O VAL A 104 -3.527 3.954 -0.415 1.00 0.14 O ATOM 1696 CB VAL A 104 -6.270 3.275 1.597 1.00 0.17 C ATOM 1697 CG1 VAL A 104 -5.142 2.517 2.269 1.00 0.16 C ATOM 1698 CG2 VAL A 104 -7.048 4.044 2.666 1.00 0.22 C ATOM 0 H VAL A 104 -7.687 4.341 -0.085 1.00 0.17 H new ATOM 0 HA VAL A 104 -5.144 5.026 1.124 1.00 0.15 H new ATOM 0 HB VAL A 104 -6.927 2.574 1.083 1.00 0.17 H new ATOM 0 HG11 VAL A 104 -5.556 1.815 2.993 1.00 0.16 H new ATOM 0 HG12 VAL A 104 -4.573 1.969 1.517 1.00 0.16 H new ATOM 0 HG13 VAL A 104 -4.485 3.220 2.780 1.00 0.16 H new ATOM 0 HG21 VAL A 104 -7.456 3.343 3.394 1.00 0.22 H new ATOM 0 HG22 VAL A 104 -6.380 4.743 3.170 1.00 0.22 H new ATOM 0 HG23 VAL A 104 -7.863 4.595 2.197 1.00 0.22 H new ATOM 1708 N ILE A 105 -5.200 2.677 -1.192 1.00 0.13 N ATOM 1709 CA ILE A 105 -4.420 1.825 -2.064 1.00 0.16 C ATOM 1710 C ILE A 105 -3.661 2.685 -3.060 1.00 0.19 C ATOM 1711 O ILE A 105 -2.456 2.512 -3.224 1.00 0.22 O ATOM 1712 CB ILE A 105 -5.359 0.808 -2.745 1.00 0.18 C ATOM 1713 CG1 ILE A 105 -5.715 -0.327 -1.769 1.00 0.19 C ATOM 1714 CG2 ILE A 105 -4.793 0.223 -4.046 1.00 0.23 C ATOM 1715 CD1 ILE A 105 -4.498 -1.094 -1.241 1.00 0.24 C ATOM 0 H ILE A 105 -6.200 2.482 -1.246 1.00 0.13 H new ATOM 0 HA ILE A 105 -3.680 1.259 -1.499 1.00 0.16 H new ATOM 0 HB ILE A 105 -6.257 1.361 -3.019 1.00 0.18 H new ATOM 0 HG12 ILE A 105 -6.263 0.091 -0.925 1.00 0.19 H new ATOM 0 HG13 ILE A 105 -6.385 -1.027 -2.269 1.00 0.19 H new ATOM 0 HG21 ILE A 105 -5.507 -0.484 -4.468 1.00 0.23 H new ATOM 0 HG22 ILE A 105 -4.614 1.028 -4.759 1.00 0.23 H new ATOM 0 HG23 ILE A 105 -3.855 -0.291 -3.836 1.00 0.23 H new ATOM 0 HD11 ILE A 105 -4.829 -1.878 -0.559 1.00 0.24 H new ATOM 0 HD12 ILE A 105 -3.960 -1.543 -2.076 1.00 0.24 H new ATOM 0 HD13 ILE A 105 -3.837 -0.408 -0.711 1.00 0.24 H new ATOM 1727 N GLN A 106 -4.359 3.617 -3.712 1.00 0.21 N ATOM 1728 CA GLN A 106 -3.746 4.522 -4.674 1.00 0.26 C ATOM 1729 C GLN A 106 -2.576 5.260 -4.035 1.00 0.31 C ATOM 1730 O GLN A 106 -1.587 5.515 -4.708 1.00 0.39 O ATOM 1731 CB GLN A 106 -4.780 5.480 -5.291 1.00 0.27 C ATOM 1732 CG GLN A 106 -5.249 6.615 -4.364 1.00 0.59 C ATOM 1733 CD GLN A 106 -4.315 7.828 -4.324 1.00 1.26 C ATOM 1734 OE1 GLN A 106 -3.802 8.214 -3.277 1.00 2.64 O ATOM 1735 NE2 GLN A 106 -4.082 8.463 -5.465 1.00 2.32 N ATOM 0 H GLN A 106 -5.361 3.762 -3.586 1.00 0.21 H new ATOM 0 HA GLN A 106 -3.350 3.931 -5.500 1.00 0.26 H new ATOM 0 HB2 GLN A 106 -4.353 5.920 -6.192 1.00 0.27 H new ATOM 0 HB3 GLN A 106 -5.650 4.901 -5.601 1.00 0.27 H new ATOM 0 HG2 GLN A 106 -6.238 6.944 -4.684 1.00 0.59 H new ATOM 0 HG3 GLN A 106 -5.356 6.221 -3.353 1.00 0.59 H new ATOM 0 HE21 GLN A 106 -4.513 8.134 -6.329 1.00 2.32 H new ATOM 0 HE22 GLN A 106 -3.472 9.280 -5.478 1.00 2.32 H new ATOM 1744 N SER A 107 -2.681 5.598 -2.749 1.00 0.26 N ATOM 1745 CA SER A 107 -1.624 6.249 -2.012 1.00 0.25 C ATOM 1746 C SER A 107 -0.440 5.312 -1.849 1.00 0.16 C ATOM 1747 O SER A 107 0.671 5.730 -2.152 1.00 0.21 O ATOM 1748 CB SER A 107 -2.140 6.767 -0.671 1.00 0.35 C ATOM 1749 OG SER A 107 -2.266 8.168 -0.760 1.00 1.24 O ATOM 0 H SER A 107 -3.517 5.420 -2.193 1.00 0.26 H new ATOM 0 HA SER A 107 -1.279 7.115 -2.576 1.00 0.25 H new ATOM 0 HB2 SER A 107 -3.102 6.313 -0.433 1.00 0.35 H new ATOM 0 HB3 SER A 107 -1.453 6.497 0.131 1.00 0.35 H new ATOM 0 HG SER A 107 -2.782 8.400 -1.560 1.00 1.24 H new ATOM 1755 N LEU A 108 -0.620 4.055 -1.418 1.00 0.13 N ATOM 1756 CA LEU A 108 0.539 3.172 -1.368 1.00 0.14 C ATOM 1757 C LEU A 108 1.206 3.129 -2.724 1.00 0.16 C ATOM 1758 O LEU A 108 2.404 3.321 -2.795 1.00 0.16 O ATOM 1759 CB LEU A 108 0.221 1.726 -0.985 1.00 0.14 C ATOM 1760 CG LEU A 108 -0.155 1.467 0.474 1.00 0.15 C ATOM 1761 CD1 LEU A 108 0.398 2.501 1.452 1.00 0.14 C ATOM 1762 CD2 LEU A 108 -1.660 1.324 0.626 1.00 0.23 C ATOM 0 H LEU A 108 -1.506 3.650 -1.116 1.00 0.13 H new ATOM 0 HA LEU A 108 1.179 3.592 -0.592 1.00 0.14 H new ATOM 0 HB2 LEU A 108 -0.599 1.380 -1.614 1.00 0.14 H new ATOM 0 HB3 LEU A 108 1.088 1.112 -1.227 1.00 0.14 H new ATOM 0 HG LEU A 108 0.324 0.525 0.742 1.00 0.15 H new ATOM 0 HD11 LEU A 108 0.087 2.246 2.465 1.00 0.14 H new ATOM 0 HD12 LEU A 108 1.487 2.508 1.397 1.00 0.14 H new ATOM 0 HD13 LEU A 108 0.016 3.488 1.192 1.00 0.14 H new ATOM 0 HD21 LEU A 108 -1.904 1.140 1.672 1.00 0.23 H new ATOM 0 HD22 LEU A 108 -2.148 2.241 0.295 1.00 0.23 H new ATOM 0 HD23 LEU A 108 -2.009 0.488 0.020 1.00 0.23 H new ATOM 1774 N ILE A 109 0.467 2.888 -3.800 1.00 0.19 N ATOM 1775 CA ILE A 109 1.055 2.816 -5.128 1.00 0.23 C ATOM 1776 C ILE A 109 1.820 4.099 -5.431 1.00 0.31 C ATOM 1777 O ILE A 109 2.937 4.038 -5.924 1.00 0.38 O ATOM 1778 CB ILE A 109 -0.057 2.541 -6.143 1.00 0.21 C ATOM 1779 CG1 ILE A 109 -0.530 1.103 -5.922 1.00 0.18 C ATOM 1780 CG2 ILE A 109 0.396 2.680 -7.600 1.00 0.23 C ATOM 1781 CD1 ILE A 109 -2.006 0.963 -6.271 1.00 0.16 C ATOM 0 H ILE A 109 -0.542 2.739 -3.777 1.00 0.19 H new ATOM 0 HA ILE A 109 1.776 2.001 -5.187 1.00 0.23 H new ATOM 0 HB ILE A 109 -0.843 3.279 -5.985 1.00 0.21 H new ATOM 0 HG12 ILE A 109 0.060 0.422 -6.536 1.00 0.18 H new ATOM 0 HG13 ILE A 109 -0.368 0.817 -4.883 1.00 0.18 H new ATOM 0 HG21 ILE A 109 -0.443 2.471 -8.263 1.00 0.23 H new ATOM 0 HG22 ILE A 109 0.753 3.695 -7.775 1.00 0.23 H new ATOM 0 HG23 ILE A 109 1.201 1.973 -7.800 1.00 0.23 H new ATOM 0 HD11 ILE A 109 -2.323 -0.067 -6.107 1.00 0.16 H new ATOM 0 HD12 ILE A 109 -2.594 1.628 -5.639 1.00 0.16 H new ATOM 0 HD13 ILE A 109 -2.159 1.227 -7.317 1.00 0.16 H new ATOM 1793 N ALA A 110 1.227 5.251 -5.135 1.00 0.32 N ATOM 1794 CA ALA A 110 1.766 6.561 -5.443 1.00 0.38 C ATOM 1795 C ALA A 110 3.080 6.830 -4.717 1.00 0.34 C ATOM 1796 O ALA A 110 3.961 7.457 -5.285 1.00 0.39 O ATOM 1797 CB ALA A 110 0.709 7.612 -5.089 1.00 0.38 C ATOM 0 H ALA A 110 0.327 5.294 -4.657 1.00 0.32 H new ATOM 0 HA ALA A 110 1.998 6.609 -6.507 1.00 0.38 H new ATOM 0 HB1 ALA A 110 1.095 8.606 -5.313 1.00 0.38 H new ATOM 0 HB2 ALA A 110 -0.193 7.432 -5.674 1.00 0.38 H new ATOM 0 HB3 ALA A 110 0.472 7.546 -4.027 1.00 0.38 H new ATOM 1803 N LEU A 111 3.210 6.382 -3.471 1.00 0.25 N ATOM 1804 CA LEU A 111 4.365 6.604 -2.613 1.00 0.24 C ATOM 1805 C LEU A 111 5.444 5.553 -2.873 1.00 0.29 C ATOM 1806 O LEU A 111 6.609 5.869 -3.072 1.00 0.35 O ATOM 1807 CB LEU A 111 3.898 6.538 -1.148 1.00 0.19 C ATOM 1808 CG LEU A 111 3.365 7.855 -0.554 1.00 0.18 C ATOM 1809 CD1 LEU A 111 4.033 9.112 -1.097 1.00 0.41 C ATOM 1810 CD2 LEU A 111 1.856 8.023 -0.719 1.00 0.27 C ATOM 0 H LEU A 111 2.482 5.832 -3.015 1.00 0.25 H new ATOM 0 HA LEU A 111 4.798 7.581 -2.826 1.00 0.24 H new ATOM 0 HB2 LEU A 111 3.116 5.783 -1.070 1.00 0.19 H new ATOM 0 HB3 LEU A 111 4.733 6.197 -0.535 1.00 0.19 H new ATOM 0 HG LEU A 111 3.618 7.756 0.502 1.00 0.18 H new ATOM 0 HD11 LEU A 111 3.595 9.990 -0.623 1.00 0.41 H new ATOM 0 HD12 LEU A 111 5.101 9.078 -0.882 1.00 0.41 H new ATOM 0 HD13 LEU A 111 3.881 9.168 -2.175 1.00 0.41 H new ATOM 0 HD21 LEU A 111 1.545 8.971 -0.279 1.00 0.27 H new ATOM 0 HD22 LEU A 111 1.603 8.014 -1.779 1.00 0.27 H new ATOM 0 HD23 LEU A 111 1.342 7.204 -0.216 1.00 0.27 H new ATOM 1822 N VAL A 112 5.052 4.284 -2.867 1.00 0.48 N ATOM 1823 CA VAL A 112 5.873 3.136 -3.222 1.00 0.50 C ATOM 1824 C VAL A 112 6.535 3.373 -4.574 1.00 0.58 C ATOM 1825 O VAL A 112 7.704 3.024 -4.744 1.00 0.70 O ATOM 1826 CB VAL A 112 4.995 1.871 -3.224 1.00 0.41 C ATOM 1827 CG1 VAL A 112 5.718 0.634 -3.753 1.00 0.43 C ATOM 1828 CG2 VAL A 112 4.535 1.531 -1.804 1.00 0.42 C ATOM 0 H VAL A 112 4.105 4.016 -2.601 1.00 0.48 H new ATOM 0 HA VAL A 112 6.668 2.996 -2.490 1.00 0.50 H new ATOM 0 HB VAL A 112 4.158 2.108 -3.880 1.00 0.41 H new ATOM 0 HG11 VAL A 112 5.043 -0.221 -3.727 1.00 0.43 H new ATOM 0 HG12 VAL A 112 6.039 0.812 -4.779 1.00 0.43 H new ATOM 0 HG13 VAL A 112 6.589 0.428 -3.131 1.00 0.43 H new ATOM 0 HG21 VAL A 112 3.916 0.634 -1.827 1.00 0.42 H new ATOM 0 HG22 VAL A 112 5.405 1.355 -1.172 1.00 0.42 H new ATOM 0 HG23 VAL A 112 3.956 2.361 -1.401 1.00 0.42 H new ATOM 1838 N ASN A 113 5.784 3.946 -5.517 1.00 0.56 N ATOM 1839 CA ASN A 113 6.298 4.386 -6.801 1.00 0.63 C ATOM 1840 C ASN A 113 7.186 5.601 -6.616 1.00 0.78 C ATOM 1841 O ASN A 113 8.354 5.560 -6.991 1.00 0.99 O ATOM 1842 CB ASN A 113 5.168 4.732 -7.782 1.00 0.58 C ATOM 1843 CG ASN A 113 4.619 3.498 -8.471 1.00 1.15 C ATOM 1844 OD1 ASN A 113 5.269 2.459 -8.486 1.00 2.39 O ATOM 1845 ND2 ASN A 113 3.476 3.617 -9.126 1.00 1.42 N ATOM 0 H ASN A 113 4.785 4.117 -5.401 1.00 0.56 H new ATOM 0 HA ASN A 113 6.873 3.561 -7.221 1.00 0.63 H new ATOM 0 HB2 ASN A 113 4.364 5.236 -7.246 1.00 0.58 H new ATOM 0 HB3 ASN A 113 5.539 5.431 -8.531 1.00 0.58 H new ATOM 0 HD21 ASN A 113 3.112 2.830 -9.664 1.00 1.42 H new ATOM 0 HD22 ASN A 113 2.959 4.495 -9.093 1.00 1.42 H new ATOM 1852 N ASP A 114 6.618 6.691 -6.100 1.00 0.64 N ATOM 1853 CA ASP A 114 7.320 7.964 -6.023 1.00 0.81 C ATOM 1854 C ASP A 114 7.374 8.452 -4.580 1.00 0.71 C ATOM 1855 O ASP A 114 6.491 9.176 -4.115 1.00 0.64 O ATOM 1856 CB ASP A 114 6.671 9.014 -6.927 1.00 0.95 C ATOM 1857 CG ASP A 114 7.608 10.222 -7.062 1.00 1.32 C ATOM 1858 OD1 ASP A 114 8.818 10.061 -6.761 1.00 1.62 O ATOM 1859 OD2 ASP A 114 7.105 11.285 -7.486 1.00 1.61 O ATOM 0 H ASP A 114 5.668 6.713 -5.728 1.00 0.64 H new ATOM 0 HA ASP A 114 8.339 7.810 -6.377 1.00 0.81 H new ATOM 0 HB2 ASP A 114 6.466 8.587 -7.909 1.00 0.95 H new ATOM 0 HB3 ASP A 114 5.714 9.327 -6.510 1.00 0.95 H new ATOM 1864 N PRO A 115 8.386 8.029 -3.819 1.00 0.72 N ATOM 1865 CA PRO A 115 8.415 8.336 -2.412 1.00 0.59 C ATOM 1866 C PRO A 115 8.807 9.790 -2.198 1.00 0.60 C ATOM 1867 O PRO A 115 9.817 10.258 -2.715 1.00 1.06 O ATOM 1868 CB PRO A 115 9.430 7.380 -1.808 1.00 0.72 C ATOM 1869 CG PRO A 115 10.335 6.976 -2.965 1.00 1.00 C ATOM 1870 CD PRO A 115 9.422 7.082 -4.189 1.00 0.90 C ATOM 0 HA PRO A 115 7.440 8.214 -1.940 1.00 0.59 H new ATOM 0 HB2 PRO A 115 9.999 7.861 -1.012 1.00 0.72 H new ATOM 0 HB3 PRO A 115 8.940 6.511 -1.369 1.00 0.72 H new ATOM 0 HG2 PRO A 115 11.197 7.637 -3.049 1.00 1.00 H new ATOM 0 HG3 PRO A 115 10.720 5.964 -2.838 1.00 1.00 H new ATOM 0 HD2 PRO A 115 9.975 7.427 -5.063 1.00 0.90 H new ATOM 0 HD3 PRO A 115 8.994 6.113 -4.445 1.00 0.90 H new ATOM 1878 N GLN A 116 8.030 10.488 -1.374 1.00 0.23 N ATOM 1879 CA GLN A 116 8.297 11.871 -1.015 1.00 0.32 C ATOM 1880 C GLN A 116 9.313 11.896 0.125 1.00 0.28 C ATOM 1881 O GLN A 116 8.987 11.421 1.211 1.00 0.49 O ATOM 1882 CB GLN A 116 6.994 12.557 -0.580 1.00 0.43 C ATOM 1883 CG GLN A 116 5.965 12.591 -1.719 1.00 1.94 C ATOM 1884 CD GLN A 116 4.800 13.512 -1.368 1.00 2.15 C ATOM 1885 OE1 GLN A 116 4.955 14.724 -1.311 1.00 2.55 O ATOM 1886 NE2 GLN A 116 3.616 12.969 -1.115 1.00 2.56 N ATOM 0 H GLN A 116 7.193 10.104 -0.936 1.00 0.23 H new ATOM 0 HA GLN A 116 8.700 12.407 -1.874 1.00 0.32 H new ATOM 0 HB2 GLN A 116 6.573 12.030 0.276 1.00 0.43 H new ATOM 0 HB3 GLN A 116 7.209 13.574 -0.253 1.00 0.43 H new ATOM 0 HG2 GLN A 116 6.443 12.934 -2.637 1.00 1.94 H new ATOM 0 HG3 GLN A 116 5.594 11.584 -1.910 1.00 1.94 H new ATOM 0 HE21 GLN A 116 3.498 11.957 -1.165 1.00 2.56 H new ATOM 0 HE22 GLN A 116 2.824 13.563 -0.870 1.00 2.56 H new ATOM 1895 N PRO A 117 10.519 12.451 -0.073 1.00 0.29 N ATOM 1896 CA PRO A 117 11.491 12.602 0.995 1.00 0.35 C ATOM 1897 C PRO A 117 11.212 13.829 1.871 1.00 0.51 C ATOM 1898 O PRO A 117 11.973 14.072 2.798 1.00 0.89 O ATOM 1899 CB PRO A 117 12.850 12.701 0.292 1.00 0.52 C ATOM 1900 CG PRO A 117 12.481 13.437 -0.997 1.00 0.67 C ATOM 1901 CD PRO A 117 11.100 12.873 -1.339 1.00 0.51 C ATOM 0 HA PRO A 117 11.452 11.759 1.685 1.00 0.35 H new ATOM 0 HB2 PRO A 117 13.578 13.255 0.885 1.00 0.52 H new ATOM 0 HB3 PRO A 117 13.281 11.719 0.094 1.00 0.52 H new ATOM 0 HG2 PRO A 117 12.450 14.517 -0.849 1.00 0.67 H new ATOM 0 HG3 PRO A 117 13.202 13.245 -1.791 1.00 0.67 H new ATOM 0 HD2 PRO A 117 10.479 13.627 -1.822 1.00 0.51 H new ATOM 0 HD3 PRO A 117 11.180 12.035 -2.031 1.00 0.51 H new ATOM 1909 N GLU A 118 10.126 14.575 1.616 1.00 0.37 N ATOM 1910 CA GLU A 118 9.727 15.749 2.387 1.00 0.50 C ATOM 1911 C GLU A 118 9.644 15.398 3.868 1.00 0.45 C ATOM 1912 O GLU A 118 10.350 15.954 4.702 1.00 0.60 O ATOM 1913 CB GLU A 118 8.369 16.257 1.861 1.00 0.65 C ATOM 1914 CG GLU A 118 8.319 17.773 1.688 1.00 1.79 C ATOM 1915 CD GLU A 118 8.703 18.561 2.945 1.00 3.04 C ATOM 1916 OE1 GLU A 118 9.859 19.035 2.972 1.00 4.38 O ATOM 1917 OE2 GLU A 118 7.845 18.698 3.848 1.00 3.84 O ATOM 0 H GLU A 118 9.489 14.368 0.847 1.00 0.37 H new ATOM 0 HA GLU A 118 10.469 16.539 2.272 1.00 0.50 H new ATOM 0 HB2 GLU A 118 8.157 15.782 0.903 1.00 0.65 H new ATOM 0 HB3 GLU A 118 7.582 15.950 2.550 1.00 0.65 H new ATOM 0 HG2 GLU A 118 8.988 18.057 0.876 1.00 1.79 H new ATOM 0 HG3 GLU A 118 7.312 18.060 1.386 1.00 1.79 H new ATOM 1924 N HIS A 119 8.762 14.454 4.189 1.00 0.35 N ATOM 1925 CA HIS A 119 8.515 14.085 5.571 1.00 0.39 C ATOM 1926 C HIS A 119 7.838 12.712 5.656 1.00 0.36 C ATOM 1927 O HIS A 119 6.721 12.593 6.155 1.00 0.41 O ATOM 1928 CB HIS A 119 7.703 15.212 6.238 1.00 0.48 C ATOM 1929 CG HIS A 119 6.556 15.778 5.427 1.00 1.03 C ATOM 1930 ND1 HIS A 119 6.234 17.112 5.318 1.00 2.24 N ATOM 1931 CD2 HIS A 119 5.718 15.096 4.588 1.00 2.37 C ATOM 1932 CE1 HIS A 119 5.186 17.214 4.485 1.00 2.39 C ATOM 1933 NE2 HIS A 119 4.827 16.008 4.018 1.00 2.45 N ATOM 0 H HIS A 119 8.209 13.934 3.507 1.00 0.35 H new ATOM 0 HA HIS A 119 9.453 13.979 6.116 1.00 0.39 H new ATOM 0 HB2 HIS A 119 7.304 14.836 7.180 1.00 0.48 H new ATOM 0 HB3 HIS A 119 8.384 16.027 6.483 1.00 0.48 H new ATOM 0 HD2 HIS A 119 5.741 14.033 4.399 1.00 2.37 H new ATOM 0 HE1 HIS A 119 4.698 18.142 4.226 1.00 2.39 H new ATOM 0 HE2 HIS A 119 4.060 15.800 3.378 1.00 2.45 H new ATOM 1941 N PRO A 120 8.486 11.659 5.141 1.00 0.32 N ATOM 1942 CA PRO A 120 7.962 10.306 5.191 1.00 0.30 C ATOM 1943 C PRO A 120 8.278 9.650 6.543 1.00 0.28 C ATOM 1944 O PRO A 120 8.917 10.252 7.404 1.00 0.28 O ATOM 1945 CB PRO A 120 8.681 9.602 4.044 1.00 0.29 C ATOM 1946 CG PRO A 120 10.065 10.240 4.093 1.00 0.30 C ATOM 1947 CD PRO A 120 9.756 11.692 4.438 1.00 0.33 C ATOM 0 HA PRO A 120 6.877 10.261 5.092 1.00 0.30 H new ATOM 0 HB2 PRO A 120 8.724 8.523 4.192 1.00 0.29 H new ATOM 0 HB3 PRO A 120 8.187 9.773 3.087 1.00 0.29 H new ATOM 0 HG2 PRO A 120 10.700 9.772 4.845 1.00 0.30 H new ATOM 0 HG3 PRO A 120 10.585 10.153 3.139 1.00 0.30 H new ATOM 0 HD2 PRO A 120 10.539 12.123 5.062 1.00 0.33 H new ATOM 0 HD3 PRO A 120 9.692 12.304 3.539 1.00 0.33 H new ATOM 1955 N LEU A 121 7.869 8.388 6.711 1.00 0.29 N ATOM 1956 CA LEU A 121 8.020 7.630 7.953 1.00 0.30 C ATOM 1957 C LEU A 121 9.484 7.540 8.368 1.00 0.33 C ATOM 1958 O LEU A 121 9.831 7.767 9.524 1.00 0.43 O ATOM 1959 CB LEU A 121 7.424 6.219 7.782 1.00 0.29 C ATOM 1960 CG LEU A 121 6.219 6.012 8.703 1.00 0.33 C ATOM 1961 CD1 LEU A 121 5.478 4.736 8.311 1.00 0.61 C ATOM 1962 CD2 LEU A 121 6.619 5.907 10.174 1.00 0.58 C ATOM 0 H LEU A 121 7.414 7.855 5.970 1.00 0.29 H new ATOM 0 HA LEU A 121 7.480 8.154 8.742 1.00 0.30 H new ATOM 0 HB2 LEU A 121 7.122 6.072 6.745 1.00 0.29 H new ATOM 0 HB3 LEU A 121 8.186 5.471 8.001 1.00 0.29 H new ATOM 0 HG LEU A 121 5.579 6.886 8.585 1.00 0.33 H new ATOM 0 HD11 LEU A 121 4.622 4.595 8.971 1.00 0.61 H new ATOM 0 HD12 LEU A 121 5.132 4.818 7.280 1.00 0.61 H new ATOM 0 HD13 LEU A 121 6.150 3.883 8.402 1.00 0.61 H new ATOM 0 HD21 LEU A 121 5.728 5.761 10.784 1.00 0.58 H new ATOM 0 HD22 LEU A 121 7.293 5.061 10.308 1.00 0.58 H new ATOM 0 HD23 LEU A 121 7.122 6.824 10.481 1.00 0.58 H new ATOM 1974 N ARG A 122 10.351 7.192 7.419 1.00 0.34 N ATOM 1975 CA ARG A 122 11.784 7.117 7.628 1.00 0.38 C ATOM 1976 C ARG A 122 12.439 8.012 6.595 1.00 0.29 C ATOM 1977 O ARG A 122 12.842 7.538 5.536 1.00 0.31 O ATOM 1978 CB ARG A 122 12.258 5.661 7.519 1.00 0.49 C ATOM 1979 CG ARG A 122 11.924 4.855 8.787 1.00 0.64 C ATOM 1980 CD ARG A 122 13.174 4.229 9.421 1.00 0.92 C ATOM 1981 NE ARG A 122 14.108 5.252 9.923 1.00 1.30 N ATOM 1982 CZ ARG A 122 15.425 5.079 10.106 1.00 1.37 C ATOM 1983 NH1 ARG A 122 16.193 6.114 10.434 1.00 1.88 N ATOM 1984 NH2 ARG A 122 15.980 3.879 9.951 1.00 2.55 N ATOM 0 H ARG A 122 10.066 6.951 6.470 1.00 0.34 H new ATOM 0 HA ARG A 122 12.059 7.458 8.626 1.00 0.38 H new ATOM 0 HB2 ARG A 122 11.790 5.190 6.655 1.00 0.49 H new ATOM 0 HB3 ARG A 122 13.334 5.641 7.348 1.00 0.49 H new ATOM 0 HG2 ARG A 122 11.438 5.507 9.513 1.00 0.64 H new ATOM 0 HG3 ARG A 122 11.212 4.068 8.538 1.00 0.64 H new ATOM 0 HD2 ARG A 122 12.876 3.576 10.241 1.00 0.92 H new ATOM 0 HD3 ARG A 122 13.681 3.605 8.685 1.00 0.92 H new ATOM 0 HE ARG A 122 13.721 6.168 10.150 1.00 1.30 H new ATOM 0 HH11 ARG A 122 15.780 7.040 10.546 1.00 1.88 H new ATOM 0 HH12 ARG A 122 17.195 5.982 10.573 1.00 1.88 H new ATOM 0 HH21 ARG A 122 15.402 3.080 9.690 1.00 2.55 H new ATOM 0 HH22 ARG A 122 16.983 3.759 10.093 1.00 2.55 H new ATOM 1998 N ALA A 123 12.583 9.298 6.933 1.00 0.35 N ATOM 1999 CA ALA A 123 13.319 10.260 6.121 1.00 0.33 C ATOM 2000 C ALA A 123 14.653 9.669 5.672 1.00 0.32 C ATOM 2001 O ALA A 123 15.032 9.847 4.530 1.00 0.26 O ATOM 2002 CB ALA A 123 13.520 11.564 6.895 1.00 0.44 C ATOM 0 H ALA A 123 12.188 9.698 7.784 1.00 0.35 H new ATOM 0 HA ALA A 123 12.737 10.486 5.227 1.00 0.33 H new ATOM 0 HB1 ALA A 123 14.071 12.273 6.277 1.00 0.44 H new ATOM 0 HB2 ALA A 123 12.549 11.987 7.154 1.00 0.44 H new ATOM 0 HB3 ALA A 123 14.083 11.363 7.806 1.00 0.44 H new ATOM 2008 N ASP A 124 15.315 8.916 6.548 1.00 0.42 N ATOM 2009 CA ASP A 124 16.533 8.143 6.306 1.00 0.48 C ATOM 2010 C ASP A 124 16.494 7.346 4.995 1.00 0.44 C ATOM 2011 O ASP A 124 17.300 7.594 4.100 1.00 0.46 O ATOM 2012 CB ASP A 124 16.697 7.251 7.546 1.00 0.75 C ATOM 2013 CG ASP A 124 17.964 6.400 7.617 1.00 1.09 C ATOM 2014 OD1 ASP A 124 18.479 6.015 6.551 1.00 2.46 O ATOM 2015 OD2 ASP A 124 18.348 6.092 8.771 1.00 2.02 O ATOM 0 H ASP A 124 14.993 8.823 7.511 1.00 0.42 H new ATOM 0 HA ASP A 124 17.394 8.798 6.170 1.00 0.48 H new ATOM 0 HB2 ASP A 124 16.665 7.888 8.430 1.00 0.75 H new ATOM 0 HB3 ASP A 124 15.836 6.585 7.602 1.00 0.75 H new ATOM 2020 N LEU A 125 15.530 6.438 4.803 1.00 0.41 N ATOM 2021 CA LEU A 125 15.439 5.718 3.535 1.00 0.40 C ATOM 2022 C LEU A 125 15.248 6.689 2.360 1.00 0.36 C ATOM 2023 O LEU A 125 15.670 6.429 1.235 1.00 0.42 O ATOM 2024 CB LEU A 125 14.298 4.700 3.602 1.00 0.36 C ATOM 2025 CG LEU A 125 14.625 3.518 4.521 1.00 0.53 C ATOM 2026 CD1 LEU A 125 13.315 2.846 4.924 1.00 1.39 C ATOM 2027 CD2 LEU A 125 15.538 2.505 3.831 1.00 1.19 C ATOM 0 H LEU A 125 14.820 6.191 5.492 1.00 0.41 H new ATOM 0 HA LEU A 125 16.375 5.185 3.365 1.00 0.40 H new ATOM 0 HB2 LEU A 125 13.394 5.194 3.957 1.00 0.36 H new ATOM 0 HB3 LEU A 125 14.086 4.329 2.599 1.00 0.36 H new ATOM 0 HG LEU A 125 15.154 3.888 5.399 1.00 0.53 H new ATOM 0 HD11 LEU A 125 13.526 2.001 5.579 1.00 1.39 H new ATOM 0 HD12 LEU A 125 12.684 3.564 5.449 1.00 1.39 H new ATOM 0 HD13 LEU A 125 12.798 2.493 4.032 1.00 1.39 H new ATOM 0 HD21 LEU A 125 15.748 1.681 4.513 1.00 1.19 H new ATOM 0 HD22 LEU A 125 15.045 2.120 2.938 1.00 1.19 H new ATOM 0 HD23 LEU A 125 16.472 2.990 3.549 1.00 1.19 H new ATOM 2039 N ALA A 126 14.596 7.821 2.622 1.00 0.29 N ATOM 2040 CA ALA A 126 14.353 8.871 1.649 1.00 0.26 C ATOM 2041 C ALA A 126 15.622 9.672 1.356 1.00 0.27 C ATOM 2042 O ALA A 126 15.729 10.297 0.307 1.00 0.29 O ATOM 2043 CB ALA A 126 13.251 9.799 2.160 1.00 0.20 C ATOM 0 H ALA A 126 14.214 8.033 3.544 1.00 0.29 H new ATOM 0 HA ALA A 126 14.036 8.403 0.717 1.00 0.26 H new ATOM 0 HB1 ALA A 126 13.070 10.586 1.428 1.00 0.20 H new ATOM 0 HB2 ALA A 126 12.335 9.227 2.312 1.00 0.20 H new ATOM 0 HB3 ALA A 126 13.561 10.246 3.105 1.00 0.20 H new ATOM 2049 N GLU A 127 16.570 9.677 2.286 1.00 0.29 N ATOM 2050 CA GLU A 127 17.863 10.316 2.163 1.00 0.32 C ATOM 2051 C GLU A 127 18.705 9.493 1.213 1.00 0.34 C ATOM 2052 O GLU A 127 19.198 10.033 0.231 1.00 0.38 O ATOM 2053 CB GLU A 127 18.558 10.492 3.513 1.00 0.36 C ATOM 2054 CG GLU A 127 17.700 11.408 4.386 1.00 0.41 C ATOM 2055 CD GLU A 127 18.424 12.710 4.722 1.00 0.66 C ATOM 2056 OE1 GLU A 127 18.684 13.472 3.760 1.00 1.82 O ATOM 2057 OE2 GLU A 127 18.730 12.925 5.913 1.00 1.67 O ATOM 0 H GLU A 127 16.447 9.213 3.186 1.00 0.29 H new ATOM 0 HA GLU A 127 17.726 11.323 1.769 1.00 0.32 H new ATOM 0 HB2 GLU A 127 18.694 9.525 3.998 1.00 0.36 H new ATOM 0 HB3 GLU A 127 19.550 10.921 3.375 1.00 0.36 H new ATOM 0 HG2 GLU A 127 16.767 11.633 3.869 1.00 0.41 H new ATOM 0 HG3 GLU A 127 17.437 10.890 5.308 1.00 0.41 H new ATOM 2064 N GLU A 128 18.824 8.185 1.454 1.00 0.32 N ATOM 2065 CA GLU A 128 19.529 7.306 0.522 1.00 0.31 C ATOM 2066 C GLU A 128 18.883 7.408 -0.861 1.00 0.30 C ATOM 2067 O GLU A 128 19.584 7.432 -1.863 1.00 0.31 O ATOM 2068 CB GLU A 128 19.552 5.857 1.044 1.00 0.35 C ATOM 2069 CG GLU A 128 20.408 4.946 0.141 1.00 0.51 C ATOM 2070 CD GLU A 128 20.428 3.474 0.582 1.00 1.55 C ATOM 2071 OE1 GLU A 128 21.069 3.179 1.611 1.00 2.25 O ATOM 2072 OE2 GLU A 128 19.825 2.624 -0.121 1.00 3.01 O ATOM 0 H GLU A 128 18.446 7.717 2.277 1.00 0.32 H new ATOM 0 HA GLU A 128 20.568 7.625 0.438 1.00 0.31 H new ATOM 0 HB2 GLU A 128 19.948 5.841 2.059 1.00 0.35 H new ATOM 0 HB3 GLU A 128 18.534 5.470 1.093 1.00 0.35 H new ATOM 0 HG2 GLU A 128 20.030 5.004 -0.880 1.00 0.51 H new ATOM 0 HG3 GLU A 128 21.430 5.324 0.125 1.00 0.51 H new ATOM 2079 N TYR A 129 17.556 7.539 -0.933 1.00 0.30 N ATOM 2080 CA TYR A 129 16.873 7.738 -2.214 1.00 0.30 C ATOM 2081 C TYR A 129 17.311 9.058 -2.848 1.00 0.30 C ATOM 2082 O TYR A 129 17.692 9.116 -4.012 1.00 0.32 O ATOM 2083 CB TYR A 129 15.357 7.737 -1.970 1.00 0.32 C ATOM 2084 CG TYR A 129 14.469 8.197 -3.119 1.00 0.83 C ATOM 2085 CD1 TYR A 129 14.099 9.552 -3.231 1.00 2.65 C ATOM 2086 CD2 TYR A 129 13.971 7.271 -4.053 1.00 1.82 C ATOM 2087 CE1 TYR A 129 13.253 9.979 -4.275 1.00 3.19 C ATOM 2088 CE2 TYR A 129 13.130 7.687 -5.100 1.00 2.11 C ATOM 2089 CZ TYR A 129 12.756 9.044 -5.215 1.00 2.22 C ATOM 2090 OH TYR A 129 11.989 9.447 -6.271 1.00 2.89 O ATOM 0 H TYR A 129 16.936 7.511 -0.124 1.00 0.30 H new ATOM 0 HA TYR A 129 17.133 6.932 -2.900 1.00 0.30 H new ATOM 0 HB2 TYR A 129 15.059 6.725 -1.697 1.00 0.32 H new ATOM 0 HB3 TYR A 129 15.153 8.373 -1.109 1.00 0.32 H new ATOM 0 HD1 TYR A 129 14.466 10.269 -2.512 1.00 2.65 H new ATOM 0 HD2 TYR A 129 14.238 6.228 -3.965 1.00 1.82 H new ATOM 0 HE1 TYR A 129 12.983 11.022 -4.358 1.00 3.19 H new ATOM 0 HE2 TYR A 129 12.769 6.966 -5.819 1.00 2.11 H new ATOM 0 HH TYR A 129 11.740 8.668 -6.811 1.00 2.89 H new ATOM 2100 N SER A 130 17.221 10.138 -2.081 1.00 0.34 N ATOM 2101 CA SER A 130 17.387 11.508 -2.535 1.00 0.42 C ATOM 2102 C SER A 130 18.816 11.730 -3.016 1.00 0.42 C ATOM 2103 O SER A 130 19.048 12.503 -3.941 1.00 0.60 O ATOM 2104 CB SER A 130 17.008 12.447 -1.375 1.00 0.54 C ATOM 2105 OG SER A 130 17.462 13.774 -1.565 1.00 1.04 O ATOM 0 H SER A 130 17.022 10.077 -1.083 1.00 0.34 H new ATOM 0 HA SER A 130 16.735 11.720 -3.382 1.00 0.42 H new ATOM 0 HB2 SER A 130 15.924 12.453 -1.259 1.00 0.54 H new ATOM 0 HB3 SER A 130 17.425 12.056 -0.447 1.00 0.54 H new ATOM 0 HG SER A 130 17.192 14.325 -0.800 1.00 1.04 H new ATOM 2111 N LYS A 131 19.771 11.076 -2.359 1.00 0.39 N ATOM 2112 CA LYS A 131 21.186 11.221 -2.634 1.00 0.38 C ATOM 2113 C LYS A 131 21.580 10.246 -3.734 1.00 0.43 C ATOM 2114 O LYS A 131 22.403 10.592 -4.577 1.00 0.55 O ATOM 2115 CB LYS A 131 22.001 11.003 -1.349 1.00 0.40 C ATOM 2116 CG LYS A 131 22.144 12.305 -0.539 1.00 0.56 C ATOM 2117 CD LYS A 131 20.838 12.733 0.142 1.00 0.87 C ATOM 2118 CE LYS A 131 20.972 14.104 0.804 1.00 1.55 C ATOM 2119 NZ LYS A 131 19.695 14.498 1.432 1.00 2.47 N ATOM 0 H LYS A 131 19.571 10.418 -1.606 1.00 0.39 H new ATOM 0 HA LYS A 131 21.401 12.232 -2.981 1.00 0.38 H new ATOM 0 HB2 LYS A 131 21.517 10.244 -0.735 1.00 0.40 H new ATOM 0 HB3 LYS A 131 22.990 10.623 -1.605 1.00 0.40 H new ATOM 0 HG2 LYS A 131 22.916 12.172 0.219 1.00 0.56 H new ATOM 0 HG3 LYS A 131 22.481 13.103 -1.201 1.00 0.56 H new ATOM 0 HD2 LYS A 131 20.035 12.761 -0.595 1.00 0.87 H new ATOM 0 HD3 LYS A 131 20.558 11.992 0.891 1.00 0.87 H new ATOM 0 HE2 LYS A 131 21.761 14.077 1.555 1.00 1.55 H new ATOM 0 HE3 LYS A 131 21.264 14.847 0.062 1.00 1.55 H new ATOM 0 HZ1 LYS A 131 19.722 15.511 1.667 1.00 2.47 H new ATOM 0 HZ2 LYS A 131 18.913 14.316 0.771 1.00 2.47 H new ATOM 0 HZ3 LYS A 131 19.550 13.945 2.301 1.00 2.47 H new ATOM 2133 N ASP A 132 21.004 9.044 -3.742 1.00 0.36 N ATOM 2134 CA ASP A 132 21.300 8.066 -4.774 1.00 0.35 C ATOM 2135 C ASP A 132 20.128 7.121 -5.044 1.00 0.31 C ATOM 2136 O ASP A 132 20.067 5.983 -4.569 1.00 0.33 O ATOM 2137 CB ASP A 132 22.552 7.253 -4.435 1.00 0.41 C ATOM 2138 CG ASP A 132 22.817 6.291 -5.590 1.00 0.64 C ATOM 2139 OD1 ASP A 132 22.499 6.687 -6.736 1.00 1.65 O ATOM 2140 OD2 ASP A 132 23.247 5.145 -5.334 1.00 2.02 O ATOM 0 H ASP A 132 20.331 8.730 -3.043 1.00 0.36 H new ATOM 0 HA ASP A 132 21.483 8.638 -5.683 1.00 0.35 H new ATOM 0 HB2 ASP A 132 23.406 7.913 -4.286 1.00 0.41 H new ATOM 0 HB3 ASP A 132 22.408 6.702 -3.505 1.00 0.41 H new ATOM 2145 N ARG A 133 19.230 7.533 -5.937 1.00 0.30 N ATOM 2146 CA ARG A 133 18.198 6.622 -6.403 1.00 0.27 C ATOM 2147 C ARG A 133 18.778 5.391 -7.092 1.00 0.25 C ATOM 2148 O ARG A 133 18.033 4.437 -7.264 1.00 0.26 O ATOM 2149 CB ARG A 133 17.190 7.293 -7.340 1.00 0.32 C ATOM 2150 CG ARG A 133 16.466 8.459 -6.654 1.00 0.53 C ATOM 2151 CD ARG A 133 15.380 9.093 -7.527 1.00 1.64 C ATOM 2152 NE ARG A 133 15.965 9.833 -8.657 1.00 1.62 N ATOM 2153 CZ ARG A 133 16.168 9.369 -9.896 1.00 2.91 C ATOM 2154 NH1 ARG A 133 16.760 10.148 -10.802 1.00 3.89 N ATOM 2155 NH2 ARG A 133 15.793 8.133 -10.229 1.00 4.15 N ATOM 0 H ARG A 133 19.198 8.469 -6.341 1.00 0.30 H new ATOM 0 HA ARG A 133 17.673 6.309 -5.500 1.00 0.27 H new ATOM 0 HB2 ARG A 133 17.706 7.657 -8.229 1.00 0.32 H new ATOM 0 HB3 ARG A 133 16.459 6.557 -7.675 1.00 0.32 H new ATOM 0 HG2 ARG A 133 16.016 8.104 -5.727 1.00 0.53 H new ATOM 0 HG3 ARG A 133 17.196 9.222 -6.382 1.00 0.53 H new ATOM 0 HD2 ARG A 133 14.714 8.317 -7.904 1.00 1.64 H new ATOM 0 HD3 ARG A 133 14.773 9.768 -6.923 1.00 1.64 H new ATOM 0 HE ARG A 133 16.244 10.798 -8.478 1.00 1.62 H new ATOM 0 HH11 ARG A 133 17.055 11.091 -10.549 1.00 3.89 H new ATOM 0 HH12 ARG A 133 16.918 9.801 -11.748 1.00 3.89 H new ATOM 0 HH21 ARG A 133 15.347 7.531 -9.537 1.00 4.15 H new ATOM 0 HH22 ARG A 133 15.952 7.789 -11.176 1.00 4.15 H new ATOM 2169 N LYS A 134 20.051 5.352 -7.507 1.00 0.29 N ATOM 2170 CA LYS A 134 20.592 4.115 -8.062 1.00 0.31 C ATOM 2171 C LYS A 134 20.496 3.030 -7.011 1.00 0.29 C ATOM 2172 O LYS A 134 19.844 2.028 -7.269 1.00 0.46 O ATOM 2173 CB LYS A 134 22.035 4.251 -8.559 1.00 0.50 C ATOM 2174 CG LYS A 134 22.181 5.311 -9.656 1.00 0.96 C ATOM 2175 CD LYS A 134 21.519 4.863 -10.966 1.00 1.55 C ATOM 2176 CE LYS A 134 21.761 5.885 -12.080 1.00 2.04 C ATOM 2177 NZ LYS A 134 23.187 5.958 -12.473 1.00 2.89 N ATOM 0 H LYS A 134 20.702 6.136 -7.470 1.00 0.29 H new ATOM 0 HA LYS A 134 19.998 3.858 -8.939 1.00 0.31 H new ATOM 0 HB2 LYS A 134 22.682 4.509 -7.720 1.00 0.50 H new ATOM 0 HB3 LYS A 134 22.377 3.289 -8.940 1.00 0.50 H new ATOM 0 HG2 LYS A 134 21.731 6.246 -9.322 1.00 0.96 H new ATOM 0 HG3 LYS A 134 23.238 5.511 -9.832 1.00 0.96 H new ATOM 0 HD2 LYS A 134 21.916 3.893 -11.265 1.00 1.55 H new ATOM 0 HD3 LYS A 134 20.448 4.735 -10.811 1.00 1.55 H new ATOM 0 HE2 LYS A 134 21.159 5.621 -12.950 1.00 2.04 H new ATOM 0 HE3 LYS A 134 21.427 6.868 -11.748 1.00 2.04 H new ATOM 0 HZ1 LYS A 134 23.275 6.488 -13.364 1.00 2.89 H new ATOM 0 HZ2 LYS A 134 23.728 6.441 -11.728 1.00 2.89 H new ATOM 0 HZ3 LYS A 134 23.561 4.996 -12.604 1.00 2.89 H new ATOM 2191 N LYS A 135 21.090 3.197 -5.828 1.00 0.30 N ATOM 2192 CA LYS A 135 20.930 2.199 -4.786 1.00 0.35 C ATOM 2193 C LYS A 135 19.483 1.957 -4.430 1.00 0.34 C ATOM 2194 O LYS A 135 19.133 0.816 -4.178 1.00 0.46 O ATOM 2195 CB LYS A 135 21.712 2.574 -3.528 1.00 0.42 C ATOM 2196 CG LYS A 135 23.138 2.054 -3.648 1.00 0.72 C ATOM 2197 CD LYS A 135 23.175 0.542 -3.884 1.00 3.46 C ATOM 2198 CE LYS A 135 24.303 -0.075 -3.066 1.00 4.15 C ATOM 2199 NZ LYS A 135 24.310 -1.549 -3.194 1.00 6.40 N ATOM 0 H LYS A 135 21.672 3.996 -5.577 1.00 0.30 H new ATOM 0 HA LYS A 135 21.333 1.273 -5.195 1.00 0.35 H new ATOM 0 HB2 LYS A 135 21.717 3.656 -3.398 1.00 0.42 H new ATOM 0 HB3 LYS A 135 21.231 2.150 -2.647 1.00 0.42 H new ATOM 0 HG2 LYS A 135 23.642 2.562 -4.470 1.00 0.72 H new ATOM 0 HG3 LYS A 135 23.690 2.293 -2.739 1.00 0.72 H new ATOM 0 HD2 LYS A 135 22.221 0.096 -3.602 1.00 3.46 H new ATOM 0 HD3 LYS A 135 23.324 0.333 -4.943 1.00 3.46 H new ATOM 0 HE2 LYS A 135 25.260 0.327 -3.400 1.00 4.15 H new ATOM 0 HE3 LYS A 135 24.189 0.201 -2.018 1.00 4.15 H new ATOM 0 HZ1 LYS A 135 24.959 -1.955 -2.491 1.00 6.40 H new ATOM 0 HZ2 LYS A 135 23.350 -1.916 -3.032 1.00 6.40 H new ATOM 0 HZ3 LYS A 135 24.625 -1.813 -4.149 1.00 6.40 H new ATOM 2213 N PHE A 136 18.626 2.967 -4.428 1.00 0.30 N ATOM 2214 CA PHE A 136 17.235 2.706 -4.104 1.00 0.36 C ATOM 2215 C PHE A 136 16.643 1.707 -5.100 1.00 0.34 C ATOM 2216 O PHE A 136 15.974 0.747 -4.727 1.00 0.37 O ATOM 2217 CB PHE A 136 16.458 4.016 -4.116 1.00 0.40 C ATOM 2218 CG PHE A 136 15.048 3.860 -3.608 1.00 0.77 C ATOM 2219 CD1 PHE A 136 14.004 3.544 -4.496 1.00 1.85 C ATOM 2220 CD2 PHE A 136 14.778 4.071 -2.246 1.00 2.11 C ATOM 2221 CE1 PHE A 136 12.686 3.451 -4.024 1.00 2.17 C ATOM 2222 CE2 PHE A 136 13.459 3.986 -1.775 1.00 2.61 C ATOM 2223 CZ PHE A 136 12.415 3.675 -2.665 1.00 2.06 C ATOM 0 H PHE A 136 18.857 3.938 -4.638 1.00 0.30 H new ATOM 0 HA PHE A 136 17.166 2.269 -3.108 1.00 0.36 H new ATOM 0 HB2 PHE A 136 16.982 4.750 -3.503 1.00 0.40 H new ATOM 0 HB3 PHE A 136 16.432 4.409 -5.132 1.00 0.40 H new ATOM 0 HD1 PHE A 136 14.217 3.373 -5.541 1.00 1.85 H new ATOM 0 HD2 PHE A 136 15.583 4.298 -1.563 1.00 2.11 H new ATOM 0 HE1 PHE A 136 11.883 3.208 -4.704 1.00 2.17 H new ATOM 0 HE2 PHE A 136 13.246 4.159 -0.731 1.00 2.61 H new ATOM 0 HZ PHE A 136 11.400 3.608 -2.301 1.00 2.06 H new ATOM 2233 N CYS A 137 16.904 1.934 -6.384 1.00 0.31 N ATOM 2234 CA CYS A 137 16.390 1.136 -7.475 1.00 0.30 C ATOM 2235 C CYS A 137 17.014 -0.257 -7.450 1.00 0.27 C ATOM 2236 O CYS A 137 16.324 -1.246 -7.671 1.00 0.29 O ATOM 2237 CB CYS A 137 16.690 1.827 -8.809 1.00 0.35 C ATOM 2238 SG CYS A 137 15.594 3.259 -9.023 1.00 1.92 S ATOM 0 H CYS A 137 17.497 2.703 -6.696 1.00 0.31 H new ATOM 0 HA CYS A 137 15.311 1.034 -7.363 1.00 0.30 H new ATOM 0 HB2 CYS A 137 17.731 2.148 -8.836 1.00 0.35 H new ATOM 0 HB3 CYS A 137 16.551 1.125 -9.631 1.00 0.35 H new ATOM 0 HG CYS A 137 16.106 4.291 -8.421 1.00 1.92 H new ATOM 2244 N LYS A 138 18.328 -0.358 -7.235 1.00 0.27 N ATOM 2245 CA LYS A 138 19.006 -1.643 -7.360 1.00 0.30 C ATOM 2246 C LYS A 138 18.747 -2.476 -6.117 1.00 0.28 C ATOM 2247 O LYS A 138 18.392 -3.646 -6.222 1.00 0.31 O ATOM 2248 CB LYS A 138 20.515 -1.510 -7.611 1.00 0.40 C ATOM 2249 CG LYS A 138 20.920 -0.796 -8.911 1.00 1.13 C ATOM 2250 CD LYS A 138 20.087 -1.133 -10.155 1.00 1.06 C ATOM 2251 CE LYS A 138 19.837 -2.622 -10.423 1.00 2.54 C ATOM 2252 NZ LYS A 138 21.036 -3.443 -10.661 1.00 3.22 N ATOM 0 H LYS A 138 18.932 0.423 -6.978 1.00 0.27 H new ATOM 0 HA LYS A 138 18.594 -2.140 -8.238 1.00 0.30 H new ATOM 0 HB2 LYS A 138 20.957 -0.973 -6.772 1.00 0.40 H new ATOM 0 HB3 LYS A 138 20.952 -2.509 -7.617 1.00 0.40 H new ATOM 0 HG2 LYS A 138 20.865 0.280 -8.743 1.00 1.13 H new ATOM 0 HG3 LYS A 138 21.963 -1.033 -9.122 1.00 1.13 H new ATOM 0 HD2 LYS A 138 19.122 -0.635 -10.065 1.00 1.06 H new ATOM 0 HD3 LYS A 138 20.586 -0.708 -11.026 1.00 1.06 H new ATOM 0 HE2 LYS A 138 19.298 -3.039 -9.572 1.00 2.54 H new ATOM 0 HE3 LYS A 138 19.182 -2.710 -11.290 1.00 2.54 H new ATOM 0 HZ1 LYS A 138 20.756 -4.435 -10.797 1.00 3.22 H new ATOM 0 HZ2 LYS A 138 21.527 -3.102 -11.512 1.00 3.22 H new ATOM 0 HZ3 LYS A 138 21.673 -3.372 -9.842 1.00 3.22 H new ATOM 2266 N ASN A 139 18.897 -1.872 -4.940 1.00 0.29 N ATOM 2267 CA ASN A 139 18.497 -2.525 -3.703 1.00 0.33 C ATOM 2268 C ASN A 139 17.051 -3.014 -3.828 1.00 0.29 C ATOM 2269 O ASN A 139 16.778 -4.142 -3.434 1.00 0.34 O ATOM 2270 CB ASN A 139 18.682 -1.626 -2.469 1.00 0.53 C ATOM 2271 CG ASN A 139 20.137 -1.229 -2.197 1.00 0.76 C ATOM 2272 OD1 ASN A 139 21.083 -1.901 -2.614 1.00 1.59 O ATOM 2273 ND2 ASN A 139 20.357 -0.129 -1.489 1.00 0.67 N ATOM 0 H ASN A 139 19.290 -0.938 -4.820 1.00 0.29 H new ATOM 0 HA ASN A 139 19.155 -3.380 -3.548 1.00 0.33 H new ATOM 0 HB2 ASN A 139 18.088 -0.721 -2.599 1.00 0.53 H new ATOM 0 HB3 ASN A 139 18.288 -2.143 -1.594 1.00 0.53 H new ATOM 0 HD21 ASN A 139 21.313 0.165 -1.287 1.00 0.67 H new ATOM 0 HD22 ASN A 139 19.571 0.423 -1.147 1.00 0.67 H new ATOM 2280 N ALA A 140 16.133 -2.219 -4.402 1.00 0.27 N ATOM 2281 CA ALA A 140 14.762 -2.666 -4.647 1.00 0.28 C ATOM 2282 C ALA A 140 14.705 -3.906 -5.532 1.00 0.25 C ATOM 2283 O ALA A 140 13.918 -4.797 -5.250 1.00 0.26 O ATOM 2284 CB ALA A 140 13.898 -1.586 -5.289 1.00 0.29 C ATOM 0 H ALA A 140 16.321 -1.263 -4.704 1.00 0.27 H new ATOM 0 HA ALA A 140 14.367 -2.903 -3.659 1.00 0.28 H new ATOM 0 HB1 ALA A 140 12.891 -1.972 -5.448 1.00 0.29 H new ATOM 0 HB2 ALA A 140 13.854 -0.717 -4.632 1.00 0.29 H new ATOM 0 HB3 ALA A 140 14.331 -1.295 -6.246 1.00 0.29 H new ATOM 2290 N GLU A 141 15.463 -3.952 -6.624 1.00 0.25 N ATOM 2291 CA GLU A 141 15.558 -5.081 -7.548 1.00 0.29 C ATOM 2292 C GLU A 141 15.718 -6.382 -6.766 1.00 0.27 C ATOM 2293 O GLU A 141 14.984 -7.350 -6.974 1.00 0.31 O ATOM 2294 CB GLU A 141 16.748 -4.809 -8.491 1.00 0.37 C ATOM 2295 CG GLU A 141 16.617 -5.373 -9.905 1.00 0.73 C ATOM 2296 CD GLU A 141 17.746 -4.814 -10.778 1.00 0.92 C ATOM 2297 OE1 GLU A 141 17.453 -3.901 -11.578 1.00 1.91 O ATOM 2298 OE2 GLU A 141 18.916 -5.229 -10.598 1.00 1.68 O ATOM 0 H GLU A 141 16.055 -3.169 -6.902 1.00 0.25 H new ATOM 0 HA GLU A 141 14.651 -5.188 -8.144 1.00 0.29 H new ATOM 0 HB2 GLU A 141 16.892 -3.731 -8.562 1.00 0.37 H new ATOM 0 HB3 GLU A 141 17.649 -5.222 -8.037 1.00 0.37 H new ATOM 0 HG2 GLU A 141 16.665 -6.462 -9.881 1.00 0.73 H new ATOM 0 HG3 GLU A 141 15.648 -5.106 -10.327 1.00 0.73 H new ATOM 2305 N GLU A 142 16.658 -6.385 -5.823 1.00 0.28 N ATOM 2306 CA GLU A 142 16.911 -7.557 -5.013 1.00 0.31 C ATOM 2307 C GLU A 142 15.806 -7.752 -3.987 1.00 0.31 C ATOM 2308 O GLU A 142 15.387 -8.878 -3.763 1.00 0.33 O ATOM 2309 CB GLU A 142 18.231 -7.424 -4.254 1.00 0.35 C ATOM 2310 CG GLU A 142 19.474 -7.628 -5.122 1.00 0.56 C ATOM 2311 CD GLU A 142 20.724 -7.624 -4.238 1.00 1.26 C ATOM 2312 OE1 GLU A 142 20.682 -8.333 -3.201 1.00 1.71 O ATOM 2313 OE2 GLU A 142 21.686 -6.907 -4.584 1.00 2.27 O ATOM 0 H GLU A 142 17.253 -5.585 -5.607 1.00 0.28 H new ATOM 0 HA GLU A 142 16.953 -8.409 -5.691 1.00 0.31 H new ATOM 0 HB2 GLU A 142 18.278 -6.435 -3.798 1.00 0.35 H new ATOM 0 HB3 GLU A 142 18.245 -8.150 -3.441 1.00 0.35 H new ATOM 0 HG2 GLU A 142 19.402 -8.572 -5.663 1.00 0.56 H new ATOM 0 HG3 GLU A 142 19.542 -6.837 -5.869 1.00 0.56 H new ATOM 2320 N PHE A 143 15.386 -6.687 -3.303 1.00 0.31 N ATOM 2321 CA PHE A 143 14.411 -6.730 -2.216 1.00 0.34 C ATOM 2322 C PHE A 143 13.127 -7.394 -2.693 1.00 0.29 C ATOM 2323 O PHE A 143 12.566 -8.263 -2.030 1.00 0.28 O ATOM 2324 CB PHE A 143 14.132 -5.306 -1.709 1.00 0.42 C ATOM 2325 CG PHE A 143 14.606 -5.048 -0.296 1.00 1.00 C ATOM 2326 CD1 PHE A 143 13.692 -4.649 0.698 1.00 0.97 C ATOM 2327 CD2 PHE A 143 15.968 -5.192 0.022 1.00 2.00 C ATOM 2328 CE1 PHE A 143 14.142 -4.405 2.007 1.00 1.79 C ATOM 2329 CE2 PHE A 143 16.415 -4.953 1.333 1.00 2.81 C ATOM 2330 CZ PHE A 143 15.501 -4.559 2.327 1.00 2.68 C ATOM 0 H PHE A 143 15.725 -5.745 -3.497 1.00 0.31 H new ATOM 0 HA PHE A 143 14.816 -7.318 -1.392 1.00 0.34 H new ATOM 0 HB2 PHE A 143 14.614 -4.593 -2.378 1.00 0.42 H new ATOM 0 HB3 PHE A 143 13.060 -5.117 -1.761 1.00 0.42 H new ATOM 0 HD1 PHE A 143 12.646 -4.531 0.455 1.00 0.97 H new ATOM 0 HD2 PHE A 143 16.672 -5.487 -0.742 1.00 2.00 H new ATOM 0 HE1 PHE A 143 13.441 -4.098 2.769 1.00 1.79 H new ATOM 0 HE2 PHE A 143 17.460 -5.072 1.577 1.00 2.81 H new ATOM 0 HZ PHE A 143 15.844 -4.375 3.335 1.00 2.68 H new ATOM 2340 N THR A 144 12.686 -6.992 -3.875 1.00 0.30 N ATOM 2341 CA THR A 144 11.581 -7.585 -4.586 1.00 0.28 C ATOM 2342 C THR A 144 11.856 -9.079 -4.774 1.00 0.28 C ATOM 2343 O THR A 144 11.073 -9.908 -4.327 1.00 0.29 O ATOM 2344 CB THR A 144 11.397 -6.823 -5.901 1.00 0.30 C ATOM 2345 OG1 THR A 144 11.134 -5.465 -5.619 1.00 0.35 O ATOM 2346 CG2 THR A 144 10.225 -7.388 -6.681 1.00 0.28 C ATOM 0 H THR A 144 13.110 -6.213 -4.379 1.00 0.30 H new ATOM 0 HA THR A 144 10.645 -7.509 -4.032 1.00 0.28 H new ATOM 0 HB THR A 144 12.307 -6.923 -6.492 1.00 0.30 H new ATOM 0 HG1 THR A 144 11.979 -4.994 -5.462 1.00 0.35 H new ATOM 0 HG21 THR A 144 10.108 -6.835 -7.613 1.00 0.28 H new ATOM 0 HG22 THR A 144 10.409 -8.439 -6.903 1.00 0.28 H new ATOM 0 HG23 THR A 144 9.315 -7.296 -6.088 1.00 0.28 H new ATOM 2354 N LYS A 145 12.980 -9.453 -5.384 1.00 0.35 N ATOM 2355 CA LYS A 145 13.312 -10.869 -5.544 1.00 0.39 C ATOM 2356 C LYS A 145 13.477 -11.628 -4.210 1.00 0.39 C ATOM 2357 O LYS A 145 13.389 -12.855 -4.208 1.00 0.51 O ATOM 2358 CB LYS A 145 14.535 -10.993 -6.468 1.00 0.45 C ATOM 2359 CG LYS A 145 14.918 -12.452 -6.751 1.00 1.19 C ATOM 2360 CD LYS A 145 16.008 -12.953 -5.791 1.00 1.74 C ATOM 2361 CE LYS A 145 15.875 -14.456 -5.527 1.00 2.50 C ATOM 2362 NZ LYS A 145 15.948 -15.253 -6.771 1.00 3.16 N ATOM 0 H LYS A 145 13.668 -8.806 -5.771 1.00 0.35 H new ATOM 0 HA LYS A 145 12.463 -11.366 -6.013 1.00 0.39 H new ATOM 0 HB2 LYS A 145 14.326 -10.487 -7.411 1.00 0.45 H new ATOM 0 HB3 LYS A 145 15.383 -10.481 -6.013 1.00 0.45 H new ATOM 0 HG2 LYS A 145 14.035 -13.084 -6.659 1.00 1.19 H new ATOM 0 HG3 LYS A 145 15.269 -12.543 -7.779 1.00 1.19 H new ATOM 0 HD2 LYS A 145 16.991 -12.742 -6.213 1.00 1.74 H new ATOM 0 HD3 LYS A 145 15.942 -12.410 -4.848 1.00 1.74 H new ATOM 0 HE2 LYS A 145 16.665 -14.775 -4.847 1.00 2.50 H new ATOM 0 HE3 LYS A 145 14.926 -14.652 -5.027 1.00 2.50 H new ATOM 0 HZ1 LYS A 145 15.956 -16.266 -6.535 1.00 3.16 H new ATOM 0 HZ2 LYS A 145 15.122 -15.043 -7.367 1.00 3.16 H new ATOM 0 HZ3 LYS A 145 16.818 -15.012 -7.287 1.00 3.16 H new ATOM 2376 N LYS A 146 13.774 -10.964 -3.088 1.00 0.34 N ATOM 2377 CA LYS A 146 13.978 -11.606 -1.796 1.00 0.36 C ATOM 2378 C LYS A 146 12.631 -11.937 -1.156 1.00 0.33 C ATOM 2379 O LYS A 146 12.390 -13.076 -0.777 1.00 0.35 O ATOM 2380 CB LYS A 146 14.780 -10.672 -0.890 1.00 0.42 C ATOM 2381 CG LYS A 146 16.288 -10.714 -1.186 1.00 0.69 C ATOM 2382 CD LYS A 146 16.880 -9.363 -0.783 1.00 1.33 C ATOM 2383 CE LYS A 146 18.316 -9.423 -0.238 1.00 1.57 C ATOM 2384 NZ LYS A 146 19.333 -9.602 -1.299 1.00 1.92 N ATOM 0 H LYS A 146 13.880 -9.950 -3.057 1.00 0.34 H new ATOM 0 HA LYS A 146 14.531 -12.535 -1.935 1.00 0.36 H new ATOM 0 HB2 LYS A 146 14.417 -9.652 -1.014 1.00 0.42 H new ATOM 0 HB3 LYS A 146 14.610 -10.947 0.151 1.00 0.42 H new ATOM 0 HG2 LYS A 146 16.764 -11.521 -0.630 1.00 0.69 H new ATOM 0 HG3 LYS A 146 16.465 -10.908 -2.244 1.00 0.69 H new ATOM 0 HD2 LYS A 146 16.863 -8.702 -1.650 1.00 1.33 H new ATOM 0 HD3 LYS A 146 16.238 -8.913 -0.026 1.00 1.33 H new ATOM 0 HE2 LYS A 146 18.529 -8.505 0.310 1.00 1.57 H new ATOM 0 HE3 LYS A 146 18.394 -10.245 0.474 1.00 1.57 H new ATOM 0 HZ1 LYS A 146 20.236 -9.887 -0.870 1.00 1.92 H new ATOM 0 HZ2 LYS A 146 19.017 -10.338 -1.962 1.00 1.92 H new ATOM 0 HZ3 LYS A 146 19.461 -8.706 -1.812 1.00 1.92 H new ATOM 2398 N TYR A 147 11.802 -10.912 -0.957 1.00 0.31 N ATOM 2399 CA TYR A 147 10.566 -10.972 -0.182 1.00 0.28 C ATOM 2400 C TYR A 147 9.344 -10.552 -0.995 1.00 0.24 C ATOM 2401 O TYR A 147 8.230 -10.875 -0.597 1.00 0.29 O ATOM 2402 CB TYR A 147 10.678 -10.066 1.049 1.00 0.37 C ATOM 2403 CG TYR A 147 10.923 -10.851 2.313 1.00 0.40 C ATOM 2404 CD1 TYR A 147 9.925 -10.957 3.300 1.00 1.71 C ATOM 2405 CD2 TYR A 147 12.128 -11.556 2.455 1.00 1.86 C ATOM 2406 CE1 TYR A 147 10.145 -11.744 4.443 1.00 1.73 C ATOM 2407 CE2 TYR A 147 12.345 -12.359 3.583 1.00 1.88 C ATOM 2408 CZ TYR A 147 11.363 -12.448 4.592 1.00 0.49 C ATOM 2409 OH TYR A 147 11.594 -13.224 5.688 1.00 0.57 O ATOM 0 H TYR A 147 11.980 -9.986 -1.345 1.00 0.31 H new ATOM 0 HA TYR A 147 10.429 -12.012 0.116 1.00 0.28 H new ATOM 0 HB2 TYR A 147 11.491 -9.355 0.902 1.00 0.37 H new ATOM 0 HB3 TYR A 147 9.762 -9.486 1.156 1.00 0.37 H new ATOM 0 HD1 TYR A 147 8.989 -10.433 3.179 1.00 1.71 H new ATOM 0 HD2 TYR A 147 12.890 -11.480 1.693 1.00 1.86 H new ATOM 0 HE1 TYR A 147 9.385 -11.811 5.207 1.00 1.73 H new ATOM 0 HE2 TYR A 147 13.268 -12.912 3.680 1.00 1.88 H new ATOM 0 HH TYR A 147 12.482 -13.632 5.619 1.00 0.57 H new ATOM 2419 N GLY A 148 9.525 -9.751 -2.048 1.00 0.26 N ATOM 2420 CA GLY A 148 8.436 -9.213 -2.852 1.00 0.27 C ATOM 2421 C GLY A 148 7.542 -10.320 -3.396 1.00 0.25 C ATOM 2422 O GLY A 148 7.981 -11.449 -3.614 1.00 0.28 O ATOM 0 H GLY A 148 10.448 -9.456 -2.367 1.00 0.26 H new ATOM 0 HA2 GLY A 148 7.841 -8.528 -2.248 1.00 0.27 H new ATOM 0 HA3 GLY A 148 8.845 -8.635 -3.680 1.00 0.27 H new ATOM 2426 N GLU A 149 6.263 -10.008 -3.605 1.00 0.28 N ATOM 2427 CA GLU A 149 5.325 -11.024 -4.045 1.00 0.29 C ATOM 2428 C GLU A 149 5.545 -11.337 -5.529 1.00 0.31 C ATOM 2429 O GLU A 149 6.142 -10.553 -6.269 1.00 0.34 O ATOM 2430 CB GLU A 149 3.875 -10.581 -3.812 1.00 0.35 C ATOM 2431 CG GLU A 149 3.204 -11.339 -2.654 1.00 0.67 C ATOM 2432 CD GLU A 149 3.079 -12.870 -2.753 1.00 0.56 C ATOM 2433 OE1 GLU A 149 3.725 -13.485 -3.635 1.00 1.51 O ATOM 2434 OE2 GLU A 149 2.360 -13.434 -1.892 1.00 1.18 O ATOM 0 H GLU A 149 5.865 -9.078 -3.478 1.00 0.28 H new ATOM 0 HA GLU A 149 5.503 -11.924 -3.456 1.00 0.29 H new ATOM 0 HB2 GLU A 149 3.855 -9.512 -3.601 1.00 0.35 H new ATOM 0 HB3 GLU A 149 3.300 -10.737 -4.725 1.00 0.35 H new ATOM 0 HG2 GLU A 149 3.757 -11.110 -1.743 1.00 0.67 H new ATOM 0 HG3 GLU A 149 2.201 -10.932 -2.529 1.00 0.67 H new ATOM 2441 N LYS A 150 4.992 -12.445 -6.014 1.00 0.35 N ATOM 2442 CA LYS A 150 5.012 -12.740 -7.441 1.00 0.46 C ATOM 2443 C LYS A 150 3.928 -11.929 -8.146 1.00 0.45 C ATOM 2444 O LYS A 150 2.767 -12.327 -8.211 1.00 0.55 O ATOM 2445 CB LYS A 150 4.895 -14.249 -7.699 1.00 0.66 C ATOM 2446 CG LYS A 150 3.615 -14.873 -7.113 1.00 2.02 C ATOM 2447 CD LYS A 150 3.886 -16.103 -6.233 1.00 2.37 C ATOM 2448 CE LYS A 150 3.048 -16.009 -4.950 1.00 3.77 C ATOM 2449 NZ LYS A 150 3.862 -16.209 -3.737 1.00 4.55 N ATOM 0 H LYS A 150 4.527 -13.150 -5.442 1.00 0.35 H new ATOM 0 HA LYS A 150 5.973 -12.441 -7.860 1.00 0.46 H new ATOM 0 HB2 LYS A 150 4.919 -14.429 -8.774 1.00 0.66 H new ATOM 0 HB3 LYS A 150 5.763 -14.751 -7.272 1.00 0.66 H new ATOM 0 HG2 LYS A 150 3.090 -14.122 -6.523 1.00 2.02 H new ATOM 0 HG3 LYS A 150 2.952 -15.158 -7.929 1.00 2.02 H new ATOM 0 HD2 LYS A 150 3.637 -17.014 -6.777 1.00 2.37 H new ATOM 0 HD3 LYS A 150 4.946 -16.159 -5.985 1.00 2.37 H new ATOM 0 HE2 LYS A 150 2.565 -15.033 -4.904 1.00 3.77 H new ATOM 0 HE3 LYS A 150 2.255 -16.756 -4.981 1.00 3.77 H new ATOM 0 HZ1 LYS A 150 3.344 -16.813 -3.067 1.00 4.55 H new ATOM 0 HZ2 LYS A 150 4.760 -16.667 -3.993 1.00 4.55 H new ATOM 0 HZ3 LYS A 150 4.057 -15.288 -3.294 1.00 4.55 H new ATOM 2463 N ARG A 151 4.305 -10.775 -8.692 1.00 0.43 N ATOM 2464 CA ARG A 151 3.417 -10.018 -9.565 1.00 0.45 C ATOM 2465 C ARG A 151 3.013 -10.896 -10.752 1.00 0.53 C ATOM 2466 O ARG A 151 3.830 -11.684 -11.230 1.00 0.69 O ATOM 2467 CB ARG A 151 4.122 -8.739 -10.023 1.00 0.47 C ATOM 2468 CG ARG A 151 5.344 -9.021 -10.909 1.00 0.73 C ATOM 2469 CD ARG A 151 5.044 -8.798 -12.393 1.00 1.38 C ATOM 2470 NE ARG A 151 5.738 -9.777 -13.241 1.00 1.56 N ATOM 2471 CZ ARG A 151 5.605 -9.865 -14.571 1.00 2.41 C ATOM 2472 NH1 ARG A 151 6.413 -10.672 -15.261 1.00 2.77 N ATOM 2473 NH2 ARG A 151 4.671 -9.156 -15.205 1.00 3.74 N ATOM 0 H ARG A 151 5.218 -10.346 -8.544 1.00 0.43 H new ATOM 0 HA ARG A 151 2.512 -9.729 -9.031 1.00 0.45 H new ATOM 0 HB2 ARG A 151 3.416 -8.117 -10.572 1.00 0.47 H new ATOM 0 HB3 ARG A 151 4.436 -8.169 -9.149 1.00 0.47 H new ATOM 0 HG2 ARG A 151 6.168 -8.375 -10.605 1.00 0.73 H new ATOM 0 HG3 ARG A 151 5.672 -10.049 -10.757 1.00 0.73 H new ATOM 0 HD2 ARG A 151 3.969 -8.868 -12.561 1.00 1.38 H new ATOM 0 HD3 ARG A 151 5.347 -7.790 -12.678 1.00 1.38 H new ATOM 0 HE ARG A 151 6.367 -10.437 -12.784 1.00 1.56 H new ATOM 0 HH11 ARG A 151 7.126 -11.217 -14.776 1.00 2.77 H new ATOM 0 HH12 ARG A 151 6.318 -10.744 -16.274 1.00 2.77 H new ATOM 0 HH21 ARG A 151 4.052 -8.541 -14.677 1.00 3.74 H new ATOM 0 HH22 ARG A 151 4.576 -9.228 -16.218 1.00 3.74 H new