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 123:sc= 0.676 USER MOD Set 1.2: A 139 ASN : amide:sc= -0.105 K(o=0.57,f=-0.62) USER MOD Set 2.1: A 43 ASN : amide:sc= 0.62 K(o=0.55,f=-0.63) USER MOD Set 2.2: A 113 ASN : amide:sc= -0.0665 K(o=0.55,f=-1.9) USER MOD Set 3.1: A 99 THR OG1 : rot 58:sc= 0.855 USER MOD Set 3.2: A 103 GLN : amide:sc= 0.604 K(o=1.5,f=-1.5) USER MOD Set 4.1: A 94 ASN : amide:sc= 0.834 K(o=1.9,f=-5.4!) USER MOD Set 4.2: A 96 LYS NZ :NH3+ 159:sc= 1.02 (180deg=0) USER MOD Set 5.1: A 31 ASN : amide:sc= 0.537 K(o=1.9,f=-0.9!) USER MOD Set 5.2: A 34 THR OG1 : rot 108:sc= 0.596 USER MOD Set 5.3: A 56 ASN : amide:sc= 0.787 K(o=1.9,f=1.1) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl -126:sc= -0.104 (180deg=-1.94!) USER MOD Single : A 9 LYS NZ :NH3+ 139:sc=-0.00719 (180deg=-0.51) USER MOD Single : A 16 LYS NZ :NH3+ -165:sc= 0.754 (180deg=0.68) USER MOD Single : A 17 CYS SG : rot -32:sc=0.000206 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= -0.27 K(o=-0.27,f=-1.3) USER MOD Single : A 24 ASN : amide:sc= -0.0431 X(o=-0.043,f=-0.027) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 46 TYR OH : rot 123:sc= 0.823 USER MOD Single : A 48 LYS NZ :NH3+ -130:sc= 0 (180deg=-1.05) USER MOD Single : A 61 TYR OH : rot -154:sc= 0.872 USER MOD Single : A 64 LYS NZ :NH3+ -171:sc= 1.07 (180deg=0.996) USER MOD Single : A 67 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0371) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.0243 USER MOD Single : A 71 LYS NZ :NH3+ -151:sc= 0.925 (180deg=0.025) USER MOD Single : A 72 THR OG1 : rot 90:sc=-0.00347 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 HIS : no HD1:sc= -1.58 K(o=-1.6,f=-3.4) USER MOD Single : A 78 ASN : amide:sc= -2.7 K(o=-2.7,f=-3.7!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 CYS SG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 65:sc= 1.27 USER MOD Single : A 100 LYS NZ :NH3+ -142:sc= 1.26 (180deg=-0.139) USER MOD Single : A 101 THR OG1 : rot -172:sc= 2.07 USER MOD Single : A 106 GLN : amide:sc= -0.819 X(o=-0.82,f=-1.1) USER MOD Single : A 107 SER OG : rot -150:sc= 0 USER MOD Single : A 116 GLN : amide:sc=-8.98e-05 K(o=-9e-05,f=-0.75) USER MOD Single : A 119 HIS : no HD1:sc= -0.316 X(o=-0.32,f=-0.7) USER MOD Single : A 129 TYR OH : rot 180:sc= 0 USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD Single : A 131 LYS NZ :NH3+ -175:sc= 0.547 (180deg=0.377) USER MOD Single : A 134 LYS NZ :NH3+ 157:sc= -0.0284 (180deg=-0.208) USER MOD Single : A 135 LYS NZ :NH3+ -124:sc= 0.879 (180deg=-0.028) USER MOD Single : A 137 CYS SG : rot 78:sc= 0.1 USER MOD Single : A 138 LYS NZ :NH3+ 164:sc= -0.0206 (180deg=-0.222) USER MOD Single : A 144 THR OG1 : rot 27:sc= 0.936 USER MOD Single : A 145 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.041) USER MOD Single : A 146 LYS NZ :NH3+ 179:sc= 1.07 (180deg=1.07) USER MOD Single : A 147 TYR OH : rot 180:sc= 0 USER MOD Single : A 150 LYS NZ :NH3+ 178:sc= 0.69 (180deg=0.639) USER MOD ----------------------------------------------------------------- ATOM 30 N ALA A 3 -19.973 -1.096 8.137 1.00 0.74 N ATOM 31 CA ALA A 3 -18.864 -0.632 7.316 1.00 0.65 C ATOM 32 C ALA A 3 -18.649 -1.583 6.135 1.00 0.47 C ATOM 33 O ALA A 3 -18.401 -1.142 5.017 1.00 0.40 O ATOM 34 CB ALA A 3 -17.601 -0.519 8.167 1.00 0.68 C ATOM 0 HA ALA A 3 -19.098 0.355 6.917 1.00 0.65 H new ATOM 0 HB1 ALA A 3 -16.775 -0.171 7.547 1.00 0.68 H new ATOM 0 HB2 ALA A 3 -17.770 0.190 8.977 1.00 0.68 H new ATOM 0 HB3 ALA A 3 -17.355 -1.495 8.585 1.00 0.68 H new ATOM 40 N SER A 4 -18.771 -2.891 6.371 1.00 0.45 N ATOM 41 CA SER A 4 -18.532 -3.910 5.362 1.00 0.35 C ATOM 42 C SER A 4 -19.422 -3.733 4.154 1.00 0.36 C ATOM 43 O SER A 4 -19.010 -4.050 3.051 1.00 0.38 O ATOM 44 CB SER A 4 -18.693 -5.312 5.944 1.00 0.37 C ATOM 45 OG SER A 4 -19.952 -5.928 5.759 1.00 1.40 O ATOM 0 H SER A 4 -19.041 -3.270 7.278 1.00 0.45 H new ATOM 0 HA SER A 4 -17.501 -3.789 5.031 1.00 0.35 H new ATOM 0 HB2 SER A 4 -17.930 -5.954 5.504 1.00 0.37 H new ATOM 0 HB3 SER A 4 -18.490 -5.263 7.014 1.00 0.37 H new ATOM 0 HG SER A 4 -19.944 -6.819 6.168 1.00 1.40 H new ATOM 51 N ARG A 5 -20.656 -3.270 4.341 1.00 0.40 N ATOM 52 CA ARG A 5 -21.542 -3.050 3.209 1.00 0.42 C ATOM 53 C ARG A 5 -20.916 -2.040 2.264 1.00 0.40 C ATOM 54 O ARG A 5 -20.891 -2.238 1.052 1.00 0.45 O ATOM 55 CB ARG A 5 -22.906 -2.572 3.701 1.00 0.49 C ATOM 56 CG ARG A 5 -23.478 -3.556 4.726 1.00 1.00 C ATOM 57 CD ARG A 5 -24.994 -3.377 4.871 1.00 1.37 C ATOM 58 NE ARG A 5 -25.685 -4.676 4.910 1.00 2.05 N ATOM 59 CZ ARG A 5 -25.883 -5.480 3.853 1.00 2.81 C ATOM 60 NH1 ARG A 5 -26.449 -6.675 4.016 1.00 3.50 N ATOM 61 NH2 ARG A 5 -25.503 -5.091 2.635 1.00 3.52 N ATOM 0 H ARG A 5 -21.057 -3.044 5.251 1.00 0.40 H new ATOM 0 HA ARG A 5 -21.687 -3.985 2.668 1.00 0.42 H new ATOM 0 HB2 ARG A 5 -22.812 -1.583 4.150 1.00 0.49 H new ATOM 0 HB3 ARG A 5 -23.591 -2.476 2.858 1.00 0.49 H new ATOM 0 HG2 ARG A 5 -23.256 -4.578 4.418 1.00 1.00 H new ATOM 0 HG3 ARG A 5 -22.996 -3.403 5.691 1.00 1.00 H new ATOM 0 HD2 ARG A 5 -25.211 -2.820 5.782 1.00 1.37 H new ATOM 0 HD3 ARG A 5 -25.374 -2.786 4.038 1.00 1.37 H new ATOM 0 HE ARG A 5 -26.042 -4.991 5.812 1.00 2.05 H new ATOM 0 HH11 ARG A 5 -26.734 -6.982 4.946 1.00 3.50 H new ATOM 0 HH12 ARG A 5 -26.598 -7.283 3.211 1.00 3.50 H new ATOM 0 HH21 ARG A 5 -25.061 -4.181 2.505 1.00 3.52 H new ATOM 0 HH22 ARG A 5 -25.654 -5.704 1.834 1.00 3.52 H new ATOM 75 N ARG A 6 -20.387 -0.955 2.826 1.00 0.38 N ATOM 76 CA ARG A 6 -19.702 0.043 2.027 1.00 0.38 C ATOM 77 C ARG A 6 -18.468 -0.603 1.401 1.00 0.38 C ATOM 78 O ARG A 6 -18.258 -0.485 0.207 1.00 0.48 O ATOM 79 CB ARG A 6 -19.390 1.288 2.879 1.00 0.42 C ATOM 80 CG ARG A 6 -20.697 1.973 3.325 1.00 0.47 C ATOM 81 CD ARG A 6 -20.530 2.969 4.481 1.00 1.32 C ATOM 82 NE ARG A 6 -19.651 4.108 4.155 1.00 1.56 N ATOM 83 CZ ARG A 6 -19.563 5.246 4.864 1.00 2.52 C ATOM 84 NH1 ARG A 6 -18.630 6.153 4.572 1.00 3.02 N ATOM 85 NH2 ARG A 6 -20.402 5.477 5.874 1.00 3.77 N ATOM 0 H ARG A 6 -20.422 -0.751 3.825 1.00 0.38 H new ATOM 0 HA ARG A 6 -20.334 0.398 1.213 1.00 0.38 H new ATOM 0 HB2 ARG A 6 -18.805 1.002 3.753 1.00 0.42 H new ATOM 0 HB3 ARG A 6 -18.783 1.987 2.304 1.00 0.42 H new ATOM 0 HG2 ARG A 6 -21.128 2.495 2.471 1.00 0.47 H new ATOM 0 HG3 ARG A 6 -21.411 1.206 3.623 1.00 0.47 H new ATOM 0 HD2 ARG A 6 -21.511 3.348 4.768 1.00 1.32 H new ATOM 0 HD3 ARG A 6 -20.125 2.444 5.346 1.00 1.32 H new ATOM 0 HE ARG A 6 -19.063 4.025 3.325 1.00 1.56 H new ATOM 0 HH11 ARG A 6 -17.977 5.985 3.806 1.00 3.02 H new ATOM 0 HH12 ARG A 6 -18.569 7.015 5.114 1.00 3.02 H new ATOM 0 HH21 ARG A 6 -21.115 4.788 6.112 1.00 3.77 H new ATOM 0 HH22 ARG A 6 -20.330 6.343 6.409 1.00 3.77 H new ATOM 99 N LEU A 7 -17.672 -1.330 2.172 1.00 0.35 N ATOM 100 CA LEU A 7 -16.386 -1.846 1.722 1.00 0.31 C ATOM 101 C LEU A 7 -16.561 -2.885 0.624 1.00 0.28 C ATOM 102 O LEU A 7 -15.691 -3.022 -0.224 1.00 0.31 O ATOM 103 CB LEU A 7 -15.610 -2.435 2.905 1.00 0.28 C ATOM 104 CG LEU A 7 -15.218 -1.343 3.912 1.00 0.32 C ATOM 105 CD1 LEU A 7 -14.834 -1.974 5.250 1.00 0.37 C ATOM 106 CD2 LEU A 7 -14.057 -0.493 3.401 1.00 0.40 C ATOM 0 H LEU A 7 -17.901 -1.580 3.134 1.00 0.35 H new ATOM 0 HA LEU A 7 -15.815 -1.017 1.304 1.00 0.31 H new ATOM 0 HB2 LEU A 7 -16.218 -3.190 3.402 1.00 0.28 H new ATOM 0 HB3 LEU A 7 -14.713 -2.937 2.541 1.00 0.28 H new ATOM 0 HG LEU A 7 -16.084 -0.694 4.043 1.00 0.32 H new ATOM 0 HD11 LEU A 7 -14.558 -1.191 5.956 1.00 0.37 H new ATOM 0 HD12 LEU A 7 -15.681 -2.535 5.644 1.00 0.37 H new ATOM 0 HD13 LEU A 7 -13.989 -2.647 5.106 1.00 0.37 H new ATOM 0 HD21 LEU A 7 -13.810 0.268 4.141 1.00 0.40 H new ATOM 0 HD22 LEU A 7 -13.188 -1.129 3.230 1.00 0.40 H new ATOM 0 HD23 LEU A 7 -14.343 -0.010 2.467 1.00 0.40 H new ATOM 118 N MET A 8 -17.676 -3.608 0.627 1.00 0.28 N ATOM 119 CA MET A 8 -17.993 -4.610 -0.369 1.00 0.31 C ATOM 120 C MET A 8 -18.123 -3.950 -1.707 1.00 0.28 C ATOM 121 O MET A 8 -17.443 -4.335 -2.655 1.00 0.34 O ATOM 122 CB MET A 8 -19.298 -5.309 0.019 1.00 0.38 C ATOM 123 CG MET A 8 -19.684 -6.464 -0.915 1.00 0.54 C ATOM 124 SD MET A 8 -21.221 -6.174 -1.841 1.00 2.24 S ATOM 125 CE MET A 8 -20.590 -5.792 -3.499 1.00 3.63 C ATOM 0 H MET A 8 -18.397 -3.507 1.341 1.00 0.28 H new ATOM 0 HA MET A 8 -17.199 -5.355 -0.422 1.00 0.31 H new ATOM 0 HB2 MET A 8 -19.206 -5.691 1.036 1.00 0.38 H new ATOM 0 HB3 MET A 8 -20.104 -4.575 0.026 1.00 0.38 H new ATOM 0 HG2 MET A 8 -18.872 -6.635 -1.621 1.00 0.54 H new ATOM 0 HG3 MET A 8 -19.792 -7.375 -0.326 1.00 0.54 H new ATOM 0 HE1 MET A 8 -20.996 -4.837 -3.832 1.00 3.63 H new ATOM 0 HE2 MET A 8 -19.502 -5.733 -3.470 1.00 3.63 H new ATOM 0 HE3 MET A 8 -20.892 -6.576 -4.193 1.00 3.63 H new ATOM 135 N LYS A 9 -19.008 -2.958 -1.790 1.00 0.28 N ATOM 136 CA LYS A 9 -19.217 -2.376 -3.096 1.00 0.36 C ATOM 137 C LYS A 9 -17.943 -1.655 -3.530 1.00 0.34 C ATOM 138 O LYS A 9 -17.550 -1.753 -4.676 1.00 0.40 O ATOM 139 CB LYS A 9 -20.522 -1.574 -3.163 1.00 0.60 C ATOM 140 CG LYS A 9 -20.405 -0.085 -2.869 1.00 1.65 C ATOM 141 CD LYS A 9 -20.826 0.252 -1.448 1.00 2.69 C ATOM 142 CE LYS A 9 -20.308 1.650 -1.077 1.00 4.83 C ATOM 143 NZ LYS A 9 -20.474 2.637 -2.166 1.00 5.44 N ATOM 0 H LYS A 9 -19.554 -2.568 -1.022 1.00 0.28 H new ATOM 0 HA LYS A 9 -19.384 -3.148 -3.847 1.00 0.36 H new ATOM 0 HB2 LYS A 9 -20.949 -1.695 -4.158 1.00 0.60 H new ATOM 0 HB3 LYS A 9 -21.230 -2.009 -2.457 1.00 0.60 H new ATOM 0 HG2 LYS A 9 -19.375 0.235 -3.027 1.00 1.65 H new ATOM 0 HG3 LYS A 9 -21.024 0.473 -3.572 1.00 1.65 H new ATOM 0 HD2 LYS A 9 -21.912 0.221 -1.362 1.00 2.69 H new ATOM 0 HD3 LYS A 9 -20.430 -0.490 -0.755 1.00 2.69 H new ATOM 0 HE2 LYS A 9 -20.835 2.003 -0.191 1.00 4.83 H new ATOM 0 HE3 LYS A 9 -19.252 1.582 -0.814 1.00 4.83 H new ATOM 0 HZ1 LYS A 9 -20.787 3.545 -1.767 1.00 5.44 H new ATOM 0 HZ2 LYS A 9 -19.566 2.769 -2.656 1.00 5.44 H new ATOM 0 HZ3 LYS A 9 -21.185 2.292 -2.842 1.00 5.44 H new ATOM 157 N GLU A 10 -17.244 -0.993 -2.604 1.00 0.33 N ATOM 158 CA GLU A 10 -16.020 -0.269 -2.928 1.00 0.34 C ATOM 159 C GLU A 10 -14.976 -1.248 -3.470 1.00 0.34 C ATOM 160 O GLU A 10 -14.252 -0.912 -4.394 1.00 0.43 O ATOM 161 CB GLU A 10 -15.497 0.493 -1.701 1.00 0.35 C ATOM 162 CG GLU A 10 -16.517 1.505 -1.146 1.00 0.64 C ATOM 163 CD GLU A 10 -16.665 2.865 -1.823 1.00 1.19 C ATOM 164 OE1 GLU A 10 -15.645 3.452 -2.222 1.00 1.69 O ATOM 165 OE2 GLU A 10 -17.814 3.389 -1.797 1.00 2.09 O ATOM 0 H GLU A 10 -17.510 -0.946 -1.620 1.00 0.33 H new ATOM 0 HA GLU A 10 -16.232 0.471 -3.699 1.00 0.34 H new ATOM 0 HB2 GLU A 10 -15.238 -0.221 -0.919 1.00 0.35 H new ATOM 0 HB3 GLU A 10 -14.580 1.018 -1.969 1.00 0.35 H new ATOM 0 HG2 GLU A 10 -17.495 1.025 -1.159 1.00 0.64 H new ATOM 0 HG3 GLU A 10 -16.264 1.685 -0.101 1.00 0.64 H new ATOM 172 N LEU A 11 -14.879 -2.462 -2.926 1.00 0.31 N ATOM 173 CA LEU A 11 -13.911 -3.449 -3.380 1.00 0.32 C ATOM 174 C LEU A 11 -14.240 -3.915 -4.779 1.00 0.32 C ATOM 175 O LEU A 11 -13.357 -4.013 -5.631 1.00 0.32 O ATOM 176 CB LEU A 11 -13.888 -4.652 -2.432 1.00 0.32 C ATOM 177 CG LEU A 11 -12.665 -5.529 -2.748 1.00 0.32 C ATOM 178 CD1 LEU A 11 -12.077 -6.071 -1.455 1.00 0.37 C ATOM 179 CD2 LEU A 11 -13.016 -6.721 -3.642 1.00 0.39 C ATOM 0 H LEU A 11 -15.470 -2.784 -2.160 1.00 0.31 H new ATOM 0 HA LEU A 11 -12.928 -2.978 -3.386 1.00 0.32 H new ATOM 0 HB2 LEU A 11 -13.848 -4.312 -1.397 1.00 0.32 H new ATOM 0 HB3 LEU A 11 -14.804 -5.233 -2.542 1.00 0.32 H new ATOM 0 HG LEU A 11 -11.951 -4.897 -3.276 1.00 0.32 H new ATOM 0 HD11 LEU A 11 -11.210 -6.692 -1.682 1.00 0.37 H new ATOM 0 HD12 LEU A 11 -11.772 -5.241 -0.818 1.00 0.37 H new ATOM 0 HD13 LEU A 11 -12.827 -6.669 -0.937 1.00 0.37 H new ATOM 0 HD21 LEU A 11 -12.118 -7.308 -3.835 1.00 0.39 H new ATOM 0 HD22 LEU A 11 -13.757 -7.345 -3.142 1.00 0.39 H new ATOM 0 HD23 LEU A 11 -13.424 -6.360 -4.586 1.00 0.39 H new ATOM 191 N GLU A 12 -15.504 -4.257 -5.001 1.00 0.35 N ATOM 192 CA GLU A 12 -15.922 -4.728 -6.307 1.00 0.41 C ATOM 193 C GLU A 12 -15.658 -3.647 -7.360 1.00 0.39 C ATOM 194 O GLU A 12 -15.047 -3.925 -8.392 1.00 0.40 O ATOM 195 CB GLU A 12 -17.376 -5.200 -6.241 1.00 0.52 C ATOM 196 CG GLU A 12 -17.777 -5.780 -7.599 1.00 0.59 C ATOM 197 CD GLU A 12 -18.885 -6.827 -7.517 1.00 0.97 C ATOM 198 OE1 GLU A 12 -19.660 -6.820 -6.536 1.00 1.43 O ATOM 199 OE2 GLU A 12 -18.910 -7.645 -8.468 1.00 1.70 O ATOM 0 H GLU A 12 -16.245 -4.217 -4.301 1.00 0.35 H new ATOM 0 HA GLU A 12 -15.335 -5.593 -6.615 1.00 0.41 H new ATOM 0 HB2 GLU A 12 -17.492 -5.953 -5.462 1.00 0.52 H new ATOM 0 HB3 GLU A 12 -18.030 -4.368 -5.980 1.00 0.52 H new ATOM 0 HG2 GLU A 12 -18.104 -4.968 -8.248 1.00 0.59 H new ATOM 0 HG3 GLU A 12 -16.900 -6.228 -8.066 1.00 0.59 H new ATOM 206 N GLU A 13 -16.044 -2.408 -7.054 1.00 0.39 N ATOM 207 CA GLU A 13 -15.779 -1.216 -7.840 1.00 0.39 C ATOM 208 C GLU A 13 -14.282 -1.079 -8.097 1.00 0.36 C ATOM 209 O GLU A 13 -13.899 -0.766 -9.216 1.00 0.37 O ATOM 210 CB GLU A 13 -16.305 0.050 -7.139 1.00 0.42 C ATOM 211 CG GLU A 13 -17.715 0.468 -7.578 1.00 0.62 C ATOM 212 CD GLU A 13 -18.821 -0.488 -7.121 1.00 2.59 C ATOM 213 OE1 GLU A 13 -18.925 -1.569 -7.742 1.00 4.08 O ATOM 214 OE2 GLU A 13 -19.576 -0.097 -6.199 1.00 3.73 O ATOM 0 H GLU A 13 -16.576 -2.205 -6.208 1.00 0.39 H new ATOM 0 HA GLU A 13 -16.304 -1.321 -8.790 1.00 0.39 H new ATOM 0 HB2 GLU A 13 -16.306 -0.118 -6.062 1.00 0.42 H new ATOM 0 HB3 GLU A 13 -15.617 0.873 -7.333 1.00 0.42 H new ATOM 0 HG2 GLU A 13 -17.926 1.463 -7.187 1.00 0.62 H new ATOM 0 HG3 GLU A 13 -17.739 0.541 -8.665 1.00 0.62 H new ATOM 221 N ILE A 14 -13.427 -1.292 -7.093 1.00 0.34 N ATOM 222 CA ILE A 14 -11.982 -1.167 -7.245 1.00 0.31 C ATOM 223 C ILE A 14 -11.510 -2.153 -8.311 1.00 0.31 C ATOM 224 O ILE A 14 -10.871 -1.745 -9.281 1.00 0.31 O ATOM 225 CB ILE A 14 -11.255 -1.324 -5.890 1.00 0.27 C ATOM 226 CG1 ILE A 14 -11.327 0.009 -5.120 1.00 0.26 C ATOM 227 CG2 ILE A 14 -9.760 -1.612 -6.095 1.00 0.27 C ATOM 228 CD1 ILE A 14 -10.658 -0.095 -3.746 1.00 0.27 C ATOM 0 H ILE A 14 -13.721 -1.556 -6.153 1.00 0.34 H new ATOM 0 HA ILE A 14 -11.727 -0.163 -7.586 1.00 0.31 H new ATOM 0 HB ILE A 14 -11.734 -2.143 -5.354 1.00 0.27 H new ATOM 0 HG12 ILE A 14 -10.843 0.793 -5.703 1.00 0.26 H new ATOM 0 HG13 ILE A 14 -12.370 0.302 -4.996 1.00 0.26 H new ATOM 0 HG21 ILE A 14 -9.274 -1.718 -5.125 1.00 0.27 H new ATOM 0 HG22 ILE A 14 -9.642 -2.535 -6.663 1.00 0.27 H new ATOM 0 HG23 ILE A 14 -9.302 -0.788 -6.642 1.00 0.27 H new ATOM 0 HD11 ILE A 14 -10.729 0.864 -3.233 1.00 0.27 H new ATOM 0 HD12 ILE A 14 -11.159 -0.861 -3.154 1.00 0.27 H new ATOM 0 HD13 ILE A 14 -9.609 -0.363 -3.871 1.00 0.27 H new ATOM 240 N ARG A 15 -11.814 -3.448 -8.164 1.00 0.31 N ATOM 241 CA ARG A 15 -11.368 -4.436 -9.145 1.00 0.31 C ATOM 242 C ARG A 15 -11.827 -4.018 -10.540 1.00 0.30 C ATOM 243 O ARG A 15 -11.025 -4.004 -11.476 1.00 0.32 O ATOM 244 CB ARG A 15 -11.870 -5.849 -8.810 1.00 0.39 C ATOM 245 CG ARG A 15 -11.198 -6.406 -7.552 1.00 1.13 C ATOM 246 CD ARG A 15 -11.464 -7.910 -7.392 1.00 0.97 C ATOM 247 NE ARG A 15 -10.444 -8.724 -8.077 1.00 1.62 N ATOM 248 CZ ARG A 15 -10.041 -9.948 -7.702 1.00 2.52 C ATOM 249 NH1 ARG A 15 -9.034 -10.546 -8.342 1.00 3.64 N ATOM 250 NH2 ARG A 15 -10.642 -10.577 -6.694 1.00 2.72 N ATOM 0 H ARG A 15 -12.357 -3.828 -7.389 1.00 0.31 H new ATOM 0 HA ARG A 15 -10.279 -4.471 -9.116 1.00 0.31 H new ATOM 0 HB2 ARG A 15 -12.950 -5.827 -8.666 1.00 0.39 H new ATOM 0 HB3 ARG A 15 -11.674 -6.514 -9.652 1.00 0.39 H new ATOM 0 HG2 ARG A 15 -10.124 -6.229 -7.603 1.00 1.13 H new ATOM 0 HG3 ARG A 15 -11.567 -5.875 -6.675 1.00 1.13 H new ATOM 0 HD2 ARG A 15 -11.481 -8.165 -6.332 1.00 0.97 H new ATOM 0 HD3 ARG A 15 -12.449 -8.149 -7.793 1.00 0.97 H new ATOM 0 HE ARG A 15 -10.007 -8.323 -8.907 1.00 1.62 H new ATOM 0 HH11 ARG A 15 -8.570 -10.073 -9.117 1.00 3.64 H new ATOM 0 HH12 ARG A 15 -8.729 -11.476 -8.056 1.00 3.64 H new ATOM 0 HH21 ARG A 15 -11.414 -10.129 -6.201 1.00 2.72 H new ATOM 0 HH22 ARG A 15 -10.330 -11.507 -6.415 1.00 2.72 H new ATOM 264 N LYS A 16 -13.111 -3.663 -10.665 1.00 0.29 N ATOM 265 CA LYS A 16 -13.713 -3.234 -11.926 1.00 0.31 C ATOM 266 C LYS A 16 -13.057 -1.964 -12.467 1.00 0.33 C ATOM 267 O LYS A 16 -12.996 -1.790 -13.679 1.00 0.36 O ATOM 268 CB LYS A 16 -15.230 -3.017 -11.774 1.00 0.34 C ATOM 269 CG LYS A 16 -16.050 -4.257 -12.155 1.00 0.54 C ATOM 270 CD LYS A 16 -16.093 -5.332 -11.067 1.00 1.09 C ATOM 271 CE LYS A 16 -16.829 -6.554 -11.628 1.00 1.36 C ATOM 272 NZ LYS A 16 -17.228 -7.506 -10.570 1.00 2.47 N ATOM 0 H LYS A 16 -13.766 -3.667 -9.883 1.00 0.29 H new ATOM 0 HA LYS A 16 -13.543 -4.036 -12.644 1.00 0.31 H new ATOM 0 HB2 LYS A 16 -15.452 -2.744 -10.742 1.00 0.34 H new ATOM 0 HB3 LYS A 16 -15.537 -2.178 -12.399 1.00 0.34 H new ATOM 0 HG2 LYS A 16 -17.069 -3.949 -12.387 1.00 0.54 H new ATOM 0 HG3 LYS A 16 -15.633 -4.691 -13.064 1.00 0.54 H new ATOM 0 HD2 LYS A 16 -15.083 -5.604 -10.762 1.00 1.09 H new ATOM 0 HD3 LYS A 16 -16.603 -4.955 -10.181 1.00 1.09 H new ATOM 0 HE2 LYS A 16 -17.716 -6.224 -12.169 1.00 1.36 H new ATOM 0 HE3 LYS A 16 -16.187 -7.063 -12.348 1.00 1.36 H new ATOM 0 HZ1 LYS A 16 -17.487 -8.416 -11.002 1.00 2.47 H new ATOM 0 HZ2 LYS A 16 -16.434 -7.648 -9.913 1.00 2.47 H new ATOM 0 HZ3 LYS A 16 -18.044 -7.125 -10.050 1.00 2.47 H new ATOM 286 N CYS A 17 -12.575 -1.078 -11.597 1.00 0.35 N ATOM 287 CA CYS A 17 -11.978 0.187 -11.991 1.00 0.40 C ATOM 288 C CYS A 17 -10.714 -0.084 -12.798 1.00 0.38 C ATOM 289 O CYS A 17 -10.347 0.707 -13.664 1.00 0.52 O ATOM 290 CB CYS A 17 -11.654 1.022 -10.746 1.00 0.43 C ATOM 291 SG CYS A 17 -11.241 2.722 -11.230 1.00 0.76 S ATOM 0 H CYS A 17 -12.591 -1.225 -10.588 1.00 0.35 H new ATOM 0 HA CYS A 17 -12.680 0.748 -12.608 1.00 0.40 H new ATOM 0 HB2 CYS A 17 -12.507 1.025 -10.068 1.00 0.43 H new ATOM 0 HB3 CYS A 17 -10.819 0.576 -10.206 1.00 0.43 H new ATOM 0 HG CYS A 17 -10.658 2.713 -12.392 1.00 0.76 H new ATOM 297 N GLY A 18 -10.035 -1.191 -12.497 1.00 0.29 N ATOM 298 CA GLY A 18 -8.901 -1.647 -13.269 1.00 0.30 C ATOM 299 C GLY A 18 -7.801 -2.058 -12.316 1.00 0.29 C ATOM 300 O GLY A 18 -6.877 -1.288 -12.076 1.00 0.30 O ATOM 0 H GLY A 18 -10.265 -1.792 -11.706 1.00 0.29 H new ATOM 0 HA2 GLY A 18 -9.187 -2.488 -13.901 1.00 0.30 H new ATOM 0 HA3 GLY A 18 -8.551 -0.855 -13.931 1.00 0.30 H new ATOM 304 N MET A 19 -7.912 -3.275 -11.779 1.00 0.31 N ATOM 305 CA MET A 19 -6.892 -3.927 -10.965 1.00 0.29 C ATOM 306 C MET A 19 -5.569 -4.087 -11.712 1.00 0.30 C ATOM 307 O MET A 19 -5.260 -5.144 -12.258 1.00 0.34 O ATOM 308 CB MET A 19 -7.430 -5.260 -10.444 1.00 0.33 C ATOM 309 CG MET A 19 -7.938 -6.195 -11.545 1.00 0.66 C ATOM 310 SD MET A 19 -9.042 -7.502 -10.962 1.00 1.24 S ATOM 311 CE MET A 19 -9.782 -7.931 -12.560 1.00 2.03 C ATOM 0 H MET A 19 -8.744 -3.851 -11.905 1.00 0.31 H new ATOM 0 HA MET A 19 -6.668 -3.287 -10.112 1.00 0.29 H new ATOM 0 HB2 MET A 19 -6.642 -5.766 -9.886 1.00 0.33 H new ATOM 0 HB3 MET A 19 -8.242 -5.064 -9.743 1.00 0.33 H new ATOM 0 HG2 MET A 19 -8.461 -5.602 -12.296 1.00 0.66 H new ATOM 0 HG3 MET A 19 -7.082 -6.653 -12.040 1.00 0.66 H new ATOM 0 HE1 MET A 19 -10.506 -8.734 -12.422 1.00 2.03 H new ATOM 0 HE2 MET A 19 -10.284 -7.057 -12.975 1.00 2.03 H new ATOM 0 HE3 MET A 19 -9.001 -8.261 -13.246 1.00 2.03 H new ATOM 321 N LYS A 20 -4.817 -2.991 -11.779 1.00 0.29 N ATOM 322 CA LYS A 20 -3.539 -2.882 -12.453 1.00 0.30 C ATOM 323 C LYS A 20 -2.450 -2.693 -11.411 1.00 0.31 C ATOM 324 O LYS A 20 -1.782 -3.641 -11.014 1.00 0.43 O ATOM 325 CB LYS A 20 -3.658 -1.765 -13.500 1.00 0.32 C ATOM 326 CG LYS A 20 -3.083 -2.179 -14.852 1.00 1.04 C ATOM 327 CD LYS A 20 -3.826 -1.361 -15.906 1.00 1.56 C ATOM 328 CE LYS A 20 -3.068 -1.397 -17.233 1.00 1.74 C ATOM 329 NZ LYS A 20 -3.746 -0.591 -18.271 1.00 2.55 N ATOM 0 H LYS A 20 -5.102 -2.115 -11.341 1.00 0.29 H new ATOM 0 HA LYS A 20 -3.257 -3.783 -12.998 1.00 0.30 H new ATOM 0 HB2 LYS A 20 -4.707 -1.493 -13.621 1.00 0.32 H new ATOM 0 HB3 LYS A 20 -3.137 -0.877 -13.142 1.00 0.32 H new ATOM 0 HG2 LYS A 20 -2.011 -1.985 -14.894 1.00 1.04 H new ATOM 0 HG3 LYS A 20 -3.220 -3.247 -15.022 1.00 1.04 H new ATOM 0 HD2 LYS A 20 -4.832 -1.758 -16.043 1.00 1.56 H new ATOM 0 HD3 LYS A 20 -3.933 -0.330 -15.568 1.00 1.56 H new ATOM 0 HE2 LYS A 20 -2.055 -1.022 -17.084 1.00 1.74 H new ATOM 0 HE3 LYS A 20 -2.979 -2.429 -17.574 1.00 1.74 H new ATOM 0 HZ1 LYS A 20 -3.204 -0.639 -19.157 1.00 2.55 H new ATOM 0 HZ2 LYS A 20 -4.703 -0.965 -18.430 1.00 2.55 H new ATOM 0 HZ3 LYS A 20 -3.809 0.398 -17.956 1.00 2.55 H new ATOM 343 N ASN A 21 -2.358 -1.468 -10.888 1.00 0.30 N ATOM 344 CA ASN A 21 -1.442 -1.125 -9.812 1.00 0.34 C ATOM 345 C ASN A 21 -1.840 -1.802 -8.502 1.00 0.27 C ATOM 346 O ASN A 21 -1.109 -1.720 -7.521 1.00 0.28 O ATOM 347 CB ASN A 21 -1.400 0.389 -9.586 1.00 0.42 C ATOM 348 CG ASN A 21 -0.494 1.135 -10.556 1.00 0.64 C ATOM 349 OD1 ASN A 21 0.697 1.276 -10.315 1.00 2.01 O ATOM 350 ND2 ASN A 21 -1.041 1.686 -11.632 1.00 1.59 N ATOM 0 H ASN A 21 -2.926 -0.683 -11.207 1.00 0.30 H new ATOM 0 HA ASN A 21 -0.456 -1.478 -10.115 1.00 0.34 H new ATOM 0 HB2 ASN A 21 -2.411 0.787 -9.670 1.00 0.42 H new ATOM 0 HB3 ASN A 21 -1.064 0.585 -8.568 1.00 0.42 H new ATOM 0 HD21 ASN A 21 -0.467 2.236 -12.271 1.00 1.59 H new ATOM 0 HD22 ASN A 21 -2.036 1.560 -11.820 1.00 1.59 H new ATOM 357 N PHE A 22 -2.995 -2.455 -8.451 1.00 0.26 N ATOM 358 CA PHE A 22 -3.475 -3.174 -7.295 1.00 0.20 C ATOM 359 C PHE A 22 -4.069 -4.456 -7.849 1.00 0.24 C ATOM 360 O PHE A 22 -4.971 -4.416 -8.681 1.00 0.43 O ATOM 361 CB PHE A 22 -4.484 -2.309 -6.530 1.00 0.22 C ATOM 362 CG PHE A 22 -5.489 -1.584 -7.405 1.00 0.25 C ATOM 363 CD1 PHE A 22 -6.728 -2.176 -7.702 1.00 0.22 C ATOM 364 CD2 PHE A 22 -5.155 -0.338 -7.968 1.00 0.36 C ATOM 365 CE1 PHE A 22 -7.611 -1.531 -8.586 1.00 0.25 C ATOM 366 CE2 PHE A 22 -6.043 0.307 -8.844 1.00 0.40 C ATOM 367 CZ PHE A 22 -7.272 -0.294 -9.157 1.00 0.33 C ATOM 0 H PHE A 22 -3.638 -2.495 -9.242 1.00 0.26 H new ATOM 0 HA PHE A 22 -2.696 -3.410 -6.570 1.00 0.20 H new ATOM 0 HB2 PHE A 22 -5.025 -2.942 -5.827 1.00 0.22 H new ATOM 0 HB3 PHE A 22 -3.938 -1.572 -5.941 1.00 0.22 H new ATOM 0 HD1 PHE A 22 -7.000 -3.120 -7.254 1.00 0.22 H new ATOM 0 HD2 PHE A 22 -4.210 0.125 -7.725 1.00 0.36 H new ATOM 0 HE1 PHE A 22 -8.558 -1.991 -8.828 1.00 0.25 H new ATOM 0 HE2 PHE A 22 -5.781 1.262 -9.275 1.00 0.40 H new ATOM 0 HZ PHE A 22 -7.956 0.194 -9.836 1.00 0.33 H new ATOM 377 N ARG A 23 -3.519 -5.596 -7.440 1.00 0.24 N ATOM 378 CA ARG A 23 -3.962 -6.910 -7.879 1.00 0.30 C ATOM 379 C ARG A 23 -3.954 -7.821 -6.674 1.00 0.30 C ATOM 380 O ARG A 23 -3.710 -7.381 -5.557 1.00 0.25 O ATOM 381 CB ARG A 23 -3.031 -7.444 -8.987 1.00 0.43 C ATOM 382 CG ARG A 23 -3.630 -7.263 -10.386 1.00 0.81 C ATOM 383 CD ARG A 23 -4.416 -8.523 -10.783 1.00 1.57 C ATOM 384 NE ARG A 23 -5.074 -8.400 -12.091 1.00 2.30 N ATOM 385 CZ ARG A 23 -4.472 -8.422 -13.288 1.00 2.53 C ATOM 386 NH1 ARG A 23 -5.188 -8.308 -14.404 1.00 3.77 N ATOM 387 NH2 ARG A 23 -3.155 -8.577 -13.383 1.00 2.61 N ATOM 0 H ARG A 23 -2.740 -5.630 -6.783 1.00 0.24 H new ATOM 0 HA ARG A 23 -4.967 -6.860 -8.298 1.00 0.30 H new ATOM 0 HB2 ARG A 23 -2.073 -6.927 -8.934 1.00 0.43 H new ATOM 0 HB3 ARG A 23 -2.832 -8.502 -8.813 1.00 0.43 H new ATOM 0 HG2 ARG A 23 -4.287 -6.394 -10.400 1.00 0.81 H new ATOM 0 HG3 ARG A 23 -2.837 -7.075 -11.110 1.00 0.81 H new ATOM 0 HD2 ARG A 23 -3.738 -9.376 -10.802 1.00 1.57 H new ATOM 0 HD3 ARG A 23 -5.168 -8.730 -10.022 1.00 1.57 H new ATOM 0 HE ARG A 23 -6.088 -8.287 -12.088 1.00 2.30 H new ATOM 0 HH11 ARG A 23 -6.201 -8.203 -14.351 1.00 3.77 H new ATOM 0 HH12 ARG A 23 -4.724 -8.325 -15.312 1.00 3.77 H new ATOM 0 HH21 ARG A 23 -2.592 -8.681 -12.539 1.00 2.61 H new ATOM 0 HH22 ARG A 23 -2.708 -8.592 -14.300 1.00 2.61 H new ATOM 401 N ASN A 24 -4.269 -9.095 -6.895 1.00 0.39 N ATOM 402 CA ASN A 24 -4.500 -10.047 -5.827 1.00 0.35 C ATOM 403 C ASN A 24 -5.418 -9.438 -4.765 1.00 0.30 C ATOM 404 O ASN A 24 -5.218 -9.667 -3.583 1.00 0.34 O ATOM 405 CB ASN A 24 -3.158 -10.523 -5.248 1.00 0.37 C ATOM 406 CG ASN A 24 -3.265 -11.869 -4.544 1.00 0.52 C ATOM 407 OD1 ASN A 24 -3.002 -12.900 -5.145 1.00 1.35 O ATOM 408 ND2 ASN A 24 -3.629 -11.889 -3.272 1.00 1.44 N ATOM 0 H ASN A 24 -4.370 -9.492 -7.829 1.00 0.39 H new ATOM 0 HA ASN A 24 -5.010 -10.926 -6.221 1.00 0.35 H new ATOM 0 HB2 ASN A 24 -2.426 -10.596 -6.052 1.00 0.37 H new ATOM 0 HB3 ASN A 24 -2.786 -9.778 -4.544 1.00 0.37 H new ATOM 0 HD21 ASN A 24 -3.694 -12.777 -2.774 1.00 1.44 H new ATOM 0 HD22 ASN A 24 -3.844 -11.017 -2.789 1.00 1.44 H new ATOM 415 N ILE A 25 -6.407 -8.628 -5.158 1.00 0.27 N ATOM 416 CA ILE A 25 -7.372 -8.132 -4.191 1.00 0.28 C ATOM 417 C ILE A 25 -8.148 -9.360 -3.719 1.00 0.32 C ATOM 418 O ILE A 25 -8.706 -10.091 -4.541 1.00 0.39 O ATOM 419 CB ILE A 25 -8.265 -7.034 -4.819 1.00 0.28 C ATOM 420 CG1 ILE A 25 -7.709 -5.632 -4.501 1.00 0.30 C ATOM 421 CG2 ILE A 25 -9.703 -7.115 -4.297 1.00 0.42 C ATOM 422 CD1 ILE A 25 -8.544 -4.512 -5.108 1.00 0.29 C ATOM 0 H ILE A 25 -6.553 -8.312 -6.117 1.00 0.27 H new ATOM 0 HA ILE A 25 -6.901 -7.644 -3.338 1.00 0.28 H new ATOM 0 HB ILE A 25 -8.264 -7.201 -5.896 1.00 0.28 H new ATOM 0 HG12 ILE A 25 -7.665 -5.501 -3.420 1.00 0.30 H new ATOM 0 HG13 ILE A 25 -6.687 -5.559 -4.873 1.00 0.30 H new ATOM 0 HG21 ILE A 25 -10.302 -6.330 -4.758 1.00 0.42 H new ATOM 0 HG22 ILE A 25 -10.126 -8.088 -4.546 1.00 0.42 H new ATOM 0 HG23 ILE A 25 -9.705 -6.984 -3.215 1.00 0.42 H new ATOM 0 HD11 ILE A 25 -8.103 -3.549 -4.850 1.00 0.29 H new ATOM 0 HD12 ILE A 25 -8.567 -4.622 -6.192 1.00 0.29 H new ATOM 0 HD13 ILE A 25 -9.560 -4.563 -4.717 1.00 0.29 H new ATOM 434 N GLN A 26 -8.185 -9.581 -2.407 1.00 0.29 N ATOM 435 CA GLN A 26 -8.964 -10.630 -1.782 1.00 0.35 C ATOM 436 C GLN A 26 -9.583 -10.048 -0.519 1.00 0.32 C ATOM 437 O GLN A 26 -9.111 -9.041 0.016 1.00 0.27 O ATOM 438 CB GLN A 26 -8.113 -11.867 -1.450 1.00 0.42 C ATOM 439 CG GLN A 26 -6.988 -12.100 -2.459 1.00 0.43 C ATOM 440 CD GLN A 26 -6.367 -13.480 -2.317 1.00 0.64 C ATOM 441 OE1 GLN A 26 -6.424 -14.295 -3.227 1.00 1.61 O ATOM 442 NE2 GLN A 26 -5.747 -13.772 -1.180 1.00 1.87 N ATOM 0 H GLN A 26 -7.659 -9.018 -1.739 1.00 0.29 H new ATOM 0 HA GLN A 26 -9.735 -10.970 -2.473 1.00 0.35 H new ATOM 0 HB2 GLN A 26 -7.684 -11.751 -0.455 1.00 0.42 H new ATOM 0 HB3 GLN A 26 -8.756 -12.747 -1.419 1.00 0.42 H new ATOM 0 HG2 GLN A 26 -7.378 -11.981 -3.470 1.00 0.43 H new ATOM 0 HG3 GLN A 26 -6.218 -11.341 -2.324 1.00 0.43 H new ATOM 0 HE21 GLN A 26 -5.707 -13.083 -0.429 1.00 1.87 H new ATOM 0 HE22 GLN A 26 -5.311 -14.686 -1.057 1.00 1.87 H new ATOM 451 N VAL A 27 -10.645 -10.689 -0.048 1.00 0.41 N ATOM 452 CA VAL A 27 -11.375 -10.262 1.124 1.00 0.41 C ATOM 453 C VAL A 27 -11.778 -11.544 1.846 1.00 0.54 C ATOM 454 O VAL A 27 -12.011 -12.557 1.188 1.00 0.78 O ATOM 455 CB VAL A 27 -12.543 -9.370 0.657 1.00 0.46 C ATOM 456 CG1 VAL A 27 -13.823 -10.138 0.311 1.00 0.74 C ATOM 457 CG2 VAL A 27 -12.836 -8.288 1.690 1.00 0.47 C ATOM 0 H VAL A 27 -11.024 -11.532 -0.480 1.00 0.41 H new ATOM 0 HA VAL A 27 -10.809 -9.651 1.826 1.00 0.41 H new ATOM 0 HB VAL A 27 -12.209 -8.913 -0.275 1.00 0.46 H new ATOM 0 HG11 VAL A 27 -14.594 -9.436 -0.008 1.00 0.74 H new ATOM 0 HG12 VAL A 27 -13.618 -10.843 -0.495 1.00 0.74 H new ATOM 0 HG13 VAL A 27 -14.169 -10.683 1.189 1.00 0.74 H new ATOM 0 HG21 VAL A 27 -13.663 -7.668 1.343 1.00 0.47 H new ATOM 0 HG22 VAL A 27 -13.104 -8.753 2.638 1.00 0.47 H new ATOM 0 HG23 VAL A 27 -11.951 -7.667 1.828 1.00 0.47 H new ATOM 467 N ASP A 28 -11.796 -11.542 3.177 1.00 0.42 N ATOM 468 CA ASP A 28 -12.267 -12.707 3.915 1.00 0.50 C ATOM 469 C ASP A 28 -13.798 -12.713 3.880 1.00 0.45 C ATOM 470 O ASP A 28 -14.405 -11.681 3.612 1.00 0.41 O ATOM 471 CB ASP A 28 -11.712 -12.648 5.338 1.00 0.54 C ATOM 472 CG ASP A 28 -11.879 -13.980 6.058 1.00 0.69 C ATOM 473 OD1 ASP A 28 -13.009 -14.239 6.530 1.00 1.08 O ATOM 474 OD2 ASP A 28 -10.879 -14.721 6.122 1.00 1.49 O ATOM 0 H ASP A 28 -11.495 -10.759 3.757 1.00 0.42 H new ATOM 0 HA ASP A 28 -11.917 -13.637 3.467 1.00 0.50 H new ATOM 0 HB2 ASP A 28 -10.656 -12.380 5.307 1.00 0.54 H new ATOM 0 HB3 ASP A 28 -12.223 -11.864 5.897 1.00 0.54 H new ATOM 479 N GLU A 29 -14.447 -13.850 4.126 1.00 0.53 N ATOM 480 CA GLU A 29 -15.903 -13.882 4.197 1.00 0.57 C ATOM 481 C GLU A 29 -16.355 -13.328 5.545 1.00 0.51 C ATOM 482 O GLU A 29 -17.200 -12.438 5.615 1.00 0.53 O ATOM 483 CB GLU A 29 -16.426 -15.313 4.017 1.00 0.73 C ATOM 484 CG GLU A 29 -16.460 -15.700 2.536 1.00 1.89 C ATOM 485 CD GLU A 29 -17.089 -17.081 2.338 1.00 2.17 C ATOM 486 OE1 GLU A 29 -16.360 -17.990 1.886 1.00 3.34 O ATOM 487 OE2 GLU A 29 -18.297 -17.205 2.643 1.00 2.60 O ATOM 0 H GLU A 29 -13.992 -14.750 4.278 1.00 0.53 H new ATOM 0 HA GLU A 29 -16.308 -13.268 3.393 1.00 0.57 H new ATOM 0 HB2 GLU A 29 -15.790 -16.009 4.564 1.00 0.73 H new ATOM 0 HB3 GLU A 29 -17.427 -15.395 4.441 1.00 0.73 H new ATOM 0 HG2 GLU A 29 -17.027 -14.956 1.976 1.00 1.89 H new ATOM 0 HG3 GLU A 29 -15.447 -15.698 2.134 1.00 1.89 H new ATOM 494 N ALA A 30 -15.805 -13.875 6.628 1.00 0.51 N ATOM 495 CA ALA A 30 -16.151 -13.449 7.970 1.00 0.53 C ATOM 496 C ALA A 30 -15.504 -12.096 8.233 1.00 0.44 C ATOM 497 O ALA A 30 -16.173 -11.121 8.572 1.00 0.50 O ATOM 498 CB ALA A 30 -15.678 -14.495 8.985 1.00 0.59 C ATOM 0 H ALA A 30 -15.111 -14.622 6.593 1.00 0.51 H new ATOM 0 HA ALA A 30 -17.232 -13.351 8.071 1.00 0.53 H new ATOM 0 HB1 ALA A 30 -15.941 -14.170 9.992 1.00 0.59 H new ATOM 0 HB2 ALA A 30 -16.160 -15.450 8.775 1.00 0.59 H new ATOM 0 HB3 ALA A 30 -14.597 -14.610 8.911 1.00 0.59 H new ATOM 504 N ASN A 31 -14.184 -12.022 8.072 1.00 0.37 N ATOM 505 CA ASN A 31 -13.444 -10.802 8.345 1.00 0.38 C ATOM 506 C ASN A 31 -13.404 -9.910 7.103 1.00 0.32 C ATOM 507 O ASN A 31 -12.370 -9.316 6.820 1.00 0.40 O ATOM 508 CB ASN A 31 -12.031 -11.146 8.843 1.00 0.47 C ATOM 509 CG ASN A 31 -11.538 -10.067 9.798 1.00 1.31 C ATOM 510 OD1 ASN A 31 -10.914 -9.085 9.412 1.00 2.27 O ATOM 511 ND2 ASN A 31 -11.845 -10.217 11.079 1.00 2.52 N ATOM 0 H ASN A 31 -13.607 -12.800 7.752 1.00 0.37 H new ATOM 0 HA ASN A 31 -13.951 -10.243 9.131 1.00 0.38 H new ATOM 0 HB2 ASN A 31 -12.039 -12.113 9.347 1.00 0.47 H new ATOM 0 HB3 ASN A 31 -11.349 -11.233 7.997 1.00 0.47 H new ATOM 0 HD21 ASN A 31 -11.562 -9.510 11.758 1.00 2.52 H new ATOM 0 HD22 ASN A 31 -12.365 -11.039 11.386 1.00 2.52 H new ATOM 518 N LEU A 32 -14.508 -9.795 6.351 1.00 0.28 N ATOM 519 CA LEU A 32 -14.506 -9.053 5.087 1.00 0.26 C ATOM 520 C LEU A 32 -14.112 -7.589 5.286 1.00 0.26 C ATOM 521 O LEU A 32 -13.664 -6.915 4.366 1.00 0.29 O ATOM 522 CB LEU A 32 -15.842 -9.226 4.335 1.00 0.34 C ATOM 523 CG LEU A 32 -16.869 -8.088 4.487 1.00 0.32 C ATOM 524 CD1 LEU A 32 -16.601 -6.905 3.539 1.00 0.44 C ATOM 525 CD2 LEU A 32 -18.271 -8.624 4.184 1.00 0.40 C ATOM 0 H LEU A 32 -15.409 -10.205 6.597 1.00 0.28 H new ATOM 0 HA LEU A 32 -13.734 -9.482 4.448 1.00 0.26 H new ATOM 0 HB2 LEU A 32 -15.623 -9.348 3.274 1.00 0.34 H new ATOM 0 HB3 LEU A 32 -16.307 -10.152 4.673 1.00 0.34 H new ATOM 0 HG LEU A 32 -16.785 -7.728 5.512 1.00 0.32 H new ATOM 0 HD11 LEU A 32 -17.358 -6.136 3.694 1.00 0.44 H new ATOM 0 HD12 LEU A 32 -15.614 -6.490 3.745 1.00 0.44 H new ATOM 0 HD13 LEU A 32 -16.641 -7.250 2.506 1.00 0.44 H new ATOM 0 HD21 LEU A 32 -18.999 -7.820 4.291 1.00 0.40 H new ATOM 0 HD22 LEU A 32 -18.301 -9.007 3.164 1.00 0.40 H new ATOM 0 HD23 LEU A 32 -18.512 -9.427 4.881 1.00 0.40 H new ATOM 537 N LEU A 33 -14.293 -7.098 6.513 1.00 0.29 N ATOM 538 CA LEU A 33 -13.793 -5.817 6.972 1.00 0.32 C ATOM 539 C LEU A 33 -12.329 -5.603 6.577 1.00 0.37 C ATOM 540 O LEU A 33 -12.004 -4.548 6.041 1.00 0.78 O ATOM 541 CB LEU A 33 -13.981 -5.745 8.492 1.00 0.32 C ATOM 542 CG LEU A 33 -15.363 -5.212 8.886 1.00 0.33 C ATOM 543 CD1 LEU A 33 -15.458 -5.158 10.409 1.00 0.39 C ATOM 544 CD2 LEU A 33 -15.619 -3.810 8.326 1.00 0.49 C ATOM 0 H LEU A 33 -14.810 -7.604 7.232 1.00 0.29 H new ATOM 0 HA LEU A 33 -14.355 -5.015 6.493 1.00 0.32 H new ATOM 0 HB2 LEU A 33 -13.842 -6.738 8.920 1.00 0.32 H new ATOM 0 HB3 LEU A 33 -13.211 -5.103 8.920 1.00 0.32 H new ATOM 0 HG LEU A 33 -16.112 -5.884 8.468 1.00 0.33 H new ATOM 0 HD11 LEU A 33 -16.438 -4.780 10.699 1.00 0.39 H new ATOM 0 HD12 LEU A 33 -15.320 -6.159 10.818 1.00 0.39 H new ATOM 0 HD13 LEU A 33 -14.684 -4.497 10.799 1.00 0.39 H new ATOM 0 HD21 LEU A 33 -16.610 -3.472 8.630 1.00 0.49 H new ATOM 0 HD22 LEU A 33 -14.867 -3.121 8.711 1.00 0.49 H new ATOM 0 HD23 LEU A 33 -15.563 -3.837 7.238 1.00 0.49 H new ATOM 556 N THR A 34 -11.441 -6.561 6.854 1.00 0.27 N ATOM 557 CA THR A 34 -10.037 -6.448 6.483 1.00 0.26 C ATOM 558 C THR A 34 -9.819 -6.877 5.033 1.00 0.25 C ATOM 559 O THR A 34 -10.463 -7.789 4.519 1.00 0.26 O ATOM 560 CB THR A 34 -9.179 -7.289 7.436 1.00 0.27 C ATOM 561 OG1 THR A 34 -9.327 -6.789 8.747 1.00 0.43 O ATOM 562 CG2 THR A 34 -7.688 -7.234 7.098 1.00 0.24 C ATOM 0 H THR A 34 -11.676 -7.428 7.338 1.00 0.27 H new ATOM 0 HA THR A 34 -9.736 -5.404 6.567 1.00 0.26 H new ATOM 0 HB THR A 34 -9.520 -8.320 7.341 1.00 0.27 H new ATOM 0 HG1 THR A 34 -9.861 -7.416 9.278 1.00 0.43 H new ATOM 0 HG21 THR A 34 -7.131 -7.848 7.806 1.00 0.24 H new ATOM 0 HG22 THR A 34 -7.530 -7.612 6.088 1.00 0.24 H new ATOM 0 HG23 THR A 34 -7.339 -6.203 7.159 1.00 0.24 H new ATOM 570 N TRP A 35 -8.858 -6.219 4.387 1.00 0.23 N ATOM 571 CA TRP A 35 -8.528 -6.406 2.986 1.00 0.21 C ATOM 572 C TRP A 35 -7.114 -6.949 2.885 1.00 0.21 C ATOM 573 O TRP A 35 -6.272 -6.639 3.728 1.00 0.23 O ATOM 574 CB TRP A 35 -8.565 -5.056 2.276 1.00 0.22 C ATOM 575 CG TRP A 35 -9.889 -4.378 2.174 1.00 0.23 C ATOM 576 CD1 TRP A 35 -10.747 -4.136 3.186 1.00 0.30 C ATOM 577 CD2 TRP A 35 -10.490 -3.779 0.997 1.00 0.22 C ATOM 578 NE1 TRP A 35 -11.866 -3.494 2.709 1.00 0.29 N ATOM 579 CE2 TRP A 35 -11.749 -3.217 1.363 1.00 0.23 C ATOM 580 CE3 TRP A 35 -10.064 -3.619 -0.336 1.00 0.27 C ATOM 581 CZ2 TRP A 35 -12.551 -2.535 0.437 1.00 0.24 C ATOM 582 CZ3 TRP A 35 -10.863 -2.942 -1.270 1.00 0.32 C ATOM 583 CH2 TRP A 35 -12.098 -2.394 -0.885 1.00 0.27 C ATOM 0 H TRP A 35 -8.272 -5.520 4.844 1.00 0.23 H new ATOM 0 HA TRP A 35 -9.241 -7.094 2.532 1.00 0.21 H new ATOM 0 HB2 TRP A 35 -7.880 -4.384 2.792 1.00 0.22 H new ATOM 0 HB3 TRP A 35 -8.177 -5.194 1.267 1.00 0.22 H new ATOM 0 HD1 TRP A 35 -10.580 -4.406 4.218 1.00 0.30 H new ATOM 0 HE1 TRP A 35 -12.678 -3.254 3.278 1.00 0.29 H new ATOM 0 HE3 TRP A 35 -9.110 -4.022 -0.643 1.00 0.27 H new ATOM 0 HZ2 TRP A 35 -13.504 -2.124 0.736 1.00 0.24 H new ATOM 0 HZ3 TRP A 35 -10.526 -2.842 -2.291 1.00 0.32 H new ATOM 0 HH2 TRP A 35 -12.700 -1.863 -1.607 1.00 0.27 H new ATOM 594 N GLN A 36 -6.820 -7.714 1.837 1.00 0.20 N ATOM 595 CA GLN A 36 -5.507 -8.305 1.666 1.00 0.24 C ATOM 596 C GLN A 36 -5.233 -8.441 0.176 1.00 0.27 C ATOM 597 O GLN A 36 -6.068 -8.971 -0.551 1.00 0.46 O ATOM 598 CB GLN A 36 -5.454 -9.656 2.400 1.00 0.39 C ATOM 599 CG GLN A 36 -6.780 -10.434 2.347 1.00 0.67 C ATOM 600 CD GLN A 36 -6.640 -11.830 2.946 1.00 1.01 C ATOM 601 OE1 GLN A 36 -5.678 -12.542 2.660 1.00 1.28 O ATOM 602 NE2 GLN A 36 -7.588 -12.239 3.781 1.00 1.83 N ATOM 0 H GLN A 36 -7.481 -7.937 1.093 1.00 0.20 H new ATOM 0 HA GLN A 36 -4.730 -7.675 2.099 1.00 0.24 H new ATOM 0 HB2 GLN A 36 -4.665 -10.268 1.963 1.00 0.39 H new ATOM 0 HB3 GLN A 36 -5.184 -9.484 3.442 1.00 0.39 H new ATOM 0 HG2 GLN A 36 -7.548 -9.881 2.888 1.00 0.67 H new ATOM 0 HG3 GLN A 36 -7.114 -10.514 1.312 1.00 0.67 H new ATOM 0 HE21 GLN A 36 -8.374 -11.627 4.000 1.00 1.83 H new ATOM 0 HE22 GLN A 36 -7.530 -13.165 4.204 1.00 1.83 H new ATOM 611 N GLY A 37 -4.082 -7.959 -0.295 1.00 0.26 N ATOM 612 CA GLY A 37 -3.726 -8.078 -1.698 1.00 0.25 C ATOM 613 C GLY A 37 -2.325 -7.551 -1.937 1.00 0.28 C ATOM 614 O GLY A 37 -1.531 -7.498 -1.007 1.00 0.30 O ATOM 0 H GLY A 37 -3.385 -7.484 0.279 1.00 0.26 H new ATOM 0 HA2 GLY A 37 -3.786 -9.122 -2.007 1.00 0.25 H new ATOM 0 HA3 GLY A 37 -4.439 -7.523 -2.308 1.00 0.25 H new ATOM 618 N LEU A 38 -1.984 -7.184 -3.168 1.00 0.30 N ATOM 619 CA LEU A 38 -0.667 -6.650 -3.473 1.00 0.29 C ATOM 620 C LEU A 38 -0.810 -5.467 -4.410 1.00 0.23 C ATOM 621 O LEU A 38 -1.880 -5.221 -4.967 1.00 0.30 O ATOM 622 CB LEU A 38 0.269 -7.752 -4.009 1.00 0.34 C ATOM 623 CG LEU A 38 -0.081 -8.357 -5.382 1.00 0.33 C ATOM 624 CD1 LEU A 38 0.245 -7.433 -6.562 1.00 0.40 C ATOM 625 CD2 LEU A 38 0.736 -9.635 -5.587 1.00 0.40 C ATOM 0 H LEU A 38 -2.607 -7.248 -3.973 1.00 0.30 H new ATOM 0 HA LEU A 38 -0.193 -6.286 -2.562 1.00 0.29 H new ATOM 0 HB2 LEU A 38 1.277 -7.342 -4.066 1.00 0.34 H new ATOM 0 HB3 LEU A 38 0.294 -8.561 -3.278 1.00 0.34 H new ATOM 0 HG LEU A 38 -1.156 -8.534 -5.369 1.00 0.33 H new ATOM 0 HD11 LEU A 38 -0.028 -7.925 -7.496 1.00 0.40 H new ATOM 0 HD12 LEU A 38 -0.317 -6.504 -6.463 1.00 0.40 H new ATOM 0 HD13 LEU A 38 1.312 -7.212 -6.567 1.00 0.40 H new ATOM 0 HD21 LEU A 38 0.494 -10.070 -6.557 1.00 0.40 H new ATOM 0 HD22 LEU A 38 1.799 -9.397 -5.551 1.00 0.40 H new ATOM 0 HD23 LEU A 38 0.497 -10.350 -4.799 1.00 0.40 H new ATOM 637 N ILE A 39 0.277 -4.731 -4.595 1.00 0.19 N ATOM 638 CA ILE A 39 0.293 -3.563 -5.451 1.00 0.19 C ATOM 639 C ILE A 39 1.482 -3.690 -6.397 1.00 0.20 C ATOM 640 O ILE A 39 2.535 -4.195 -6.009 1.00 0.33 O ATOM 641 CB ILE A 39 0.260 -2.276 -4.603 1.00 0.18 C ATOM 642 CG1 ILE A 39 1.246 -2.316 -3.420 1.00 0.17 C ATOM 643 CG2 ILE A 39 -1.169 -2.083 -4.070 1.00 0.20 C ATOM 644 CD1 ILE A 39 1.171 -1.054 -2.560 1.00 0.18 C ATOM 0 H ILE A 39 1.174 -4.932 -4.152 1.00 0.19 H new ATOM 0 HA ILE A 39 -0.600 -3.497 -6.073 1.00 0.19 H new ATOM 0 HB ILE A 39 0.563 -1.445 -5.241 1.00 0.18 H new ATOM 0 HG12 ILE A 39 1.033 -3.188 -2.801 1.00 0.17 H new ATOM 0 HG13 ILE A 39 2.261 -2.435 -3.799 1.00 0.17 H new ATOM 0 HG21 ILE A 39 -1.213 -1.176 -3.467 1.00 0.20 H new ATOM 0 HG22 ILE A 39 -1.861 -1.995 -4.908 1.00 0.20 H new ATOM 0 HG23 ILE A 39 -1.448 -2.940 -3.457 1.00 0.20 H new ATOM 0 HD11 ILE A 39 1.884 -1.130 -1.739 1.00 0.18 H new ATOM 0 HD12 ILE A 39 1.411 -0.183 -3.170 1.00 0.18 H new ATOM 0 HD13 ILE A 39 0.164 -0.948 -2.157 1.00 0.18 H new ATOM 656 N VAL A 40 1.276 -3.294 -7.653 1.00 0.53 N ATOM 657 CA VAL A 40 2.209 -3.424 -8.761 1.00 0.51 C ATOM 658 C VAL A 40 2.473 -2.017 -9.321 1.00 0.64 C ATOM 659 O VAL A 40 1.813 -1.599 -10.266 1.00 0.95 O ATOM 660 CB VAL A 40 1.628 -4.372 -9.831 1.00 0.28 C ATOM 661 CG1 VAL A 40 2.717 -4.790 -10.823 1.00 0.29 C ATOM 662 CG2 VAL A 40 1.026 -5.644 -9.225 1.00 0.58 C ATOM 0 H VAL A 40 0.403 -2.849 -7.935 1.00 0.53 H new ATOM 0 HA VAL A 40 3.152 -3.859 -8.431 1.00 0.51 H new ATOM 0 HB VAL A 40 0.837 -3.815 -10.333 1.00 0.28 H new ATOM 0 HG11 VAL A 40 2.291 -5.458 -11.571 1.00 0.29 H new ATOM 0 HG12 VAL A 40 3.120 -3.905 -11.315 1.00 0.29 H new ATOM 0 HG13 VAL A 40 3.517 -5.305 -10.290 1.00 0.29 H new ATOM 0 HG21 VAL A 40 0.632 -6.275 -10.021 1.00 0.58 H new ATOM 0 HG22 VAL A 40 1.797 -6.187 -8.679 1.00 0.58 H new ATOM 0 HG23 VAL A 40 0.220 -5.375 -8.542 1.00 0.58 H new ATOM 672 N PRO A 41 3.393 -1.258 -8.711 1.00 1.00 N ATOM 673 CA PRO A 41 3.781 0.086 -9.133 1.00 1.13 C ATOM 674 C PRO A 41 4.636 0.015 -10.399 1.00 0.75 C ATOM 675 O PRO A 41 4.947 -1.075 -10.862 1.00 0.76 O ATOM 676 CB PRO A 41 4.584 0.625 -7.948 1.00 1.70 C ATOM 677 CG PRO A 41 5.294 -0.641 -7.477 1.00 1.63 C ATOM 678 CD PRO A 41 4.209 -1.700 -7.603 1.00 1.47 C ATOM 0 HA PRO A 41 2.931 0.723 -9.378 1.00 1.13 H new ATOM 0 HB2 PRO A 41 5.285 1.405 -8.246 1.00 1.70 H new ATOM 0 HB3 PRO A 41 3.944 1.050 -7.175 1.00 1.70 H new ATOM 0 HG2 PRO A 41 6.160 -0.873 -8.096 1.00 1.63 H new ATOM 0 HG3 PRO A 41 5.651 -0.547 -6.451 1.00 1.63 H new ATOM 0 HD2 PRO A 41 4.636 -2.684 -7.794 1.00 1.47 H new ATOM 0 HD3 PRO A 41 3.624 -1.779 -6.687 1.00 1.47 H new ATOM 686 N ASP A 42 5.060 1.171 -10.920 1.00 0.76 N ATOM 687 CA ASP A 42 5.838 1.246 -12.158 1.00 0.57 C ATOM 688 C ASP A 42 7.263 1.729 -11.900 1.00 0.51 C ATOM 689 O ASP A 42 8.205 1.214 -12.490 1.00 0.52 O ATOM 690 CB ASP A 42 5.155 2.165 -13.180 1.00 0.75 C ATOM 691 CG ASP A 42 4.177 1.400 -14.068 1.00 1.14 C ATOM 692 OD1 ASP A 42 4.663 0.557 -14.860 1.00 1.90 O ATOM 693 OD2 ASP A 42 2.965 1.692 -13.962 1.00 1.54 O ATOM 0 H ASP A 42 4.873 2.079 -10.495 1.00 0.76 H new ATOM 0 HA ASP A 42 5.888 0.236 -12.566 1.00 0.57 H new ATOM 0 HB2 ASP A 42 4.624 2.960 -12.656 1.00 0.75 H new ATOM 0 HB3 ASP A 42 5.912 2.643 -13.801 1.00 0.75 H new ATOM 698 N ASN A 43 7.426 2.755 -11.060 1.00 0.51 N ATOM 699 CA ASN A 43 8.737 3.377 -10.837 1.00 0.48 C ATOM 700 C ASN A 43 9.772 2.410 -10.251 1.00 0.45 C ATOM 701 O ASN A 43 10.870 2.293 -10.793 1.00 0.58 O ATOM 702 CB ASN A 43 8.628 4.630 -9.955 1.00 0.51 C ATOM 703 CG ASN A 43 9.068 5.881 -10.700 1.00 0.64 C ATOM 704 OD1 ASN A 43 10.257 6.158 -10.812 1.00 0.72 O ATOM 705 ND2 ASN A 43 8.128 6.643 -11.241 1.00 0.76 N ATOM 0 H ASN A 43 6.667 3.174 -10.522 1.00 0.51 H new ATOM 0 HA ASN A 43 9.092 3.670 -11.825 1.00 0.48 H new ATOM 0 HB2 ASN A 43 7.598 4.750 -9.618 1.00 0.51 H new ATOM 0 HB3 ASN A 43 9.242 4.502 -9.063 1.00 0.51 H new ATOM 0 HD21 ASN A 43 8.388 7.480 -11.764 1.00 0.76 H new ATOM 0 HD22 ASN A 43 7.145 6.393 -11.135 1.00 0.76 H new ATOM 712 N PRO A 44 9.501 1.774 -9.101 1.00 0.34 N ATOM 713 CA PRO A 44 10.431 0.826 -8.516 1.00 0.35 C ATOM 714 C PRO A 44 10.359 -0.480 -9.314 1.00 0.34 C ATOM 715 O PRO A 44 9.396 -0.701 -10.042 1.00 0.40 O ATOM 716 CB PRO A 44 9.946 0.654 -7.076 1.00 0.35 C ATOM 717 CG PRO A 44 8.439 0.748 -7.255 1.00 0.31 C ATOM 718 CD PRO A 44 8.288 1.842 -8.308 1.00 0.29 C ATOM 0 HA PRO A 44 11.472 1.149 -8.534 1.00 0.35 H new ATOM 0 HB2 PRO A 44 10.250 -0.303 -6.651 1.00 0.35 H new ATOM 0 HB3 PRO A 44 10.331 1.432 -6.417 1.00 0.35 H new ATOM 0 HG2 PRO A 44 8.012 -0.197 -7.591 1.00 0.31 H new ATOM 0 HG3 PRO A 44 7.937 1.012 -6.324 1.00 0.31 H new ATOM 0 HD2 PRO A 44 7.404 1.676 -8.924 1.00 0.29 H new ATOM 0 HD3 PRO A 44 8.174 2.822 -7.845 1.00 0.29 H new ATOM 726 N PRO A 45 11.355 -1.360 -9.162 1.00 0.33 N ATOM 727 CA PRO A 45 11.528 -2.556 -9.978 1.00 0.34 C ATOM 728 C PRO A 45 10.462 -3.622 -9.716 1.00 0.37 C ATOM 729 O PRO A 45 10.706 -4.634 -9.058 1.00 0.56 O ATOM 730 CB PRO A 45 12.942 -3.039 -9.692 1.00 0.38 C ATOM 731 CG PRO A 45 13.212 -2.506 -8.291 1.00 0.31 C ATOM 732 CD PRO A 45 12.494 -1.167 -8.291 1.00 0.37 C ATOM 0 HA PRO A 45 11.396 -2.333 -11.037 1.00 0.34 H new ATOM 0 HB2 PRO A 45 13.012 -4.126 -9.730 1.00 0.38 H new ATOM 0 HB3 PRO A 45 13.656 -2.648 -10.417 1.00 0.38 H new ATOM 0 HG2 PRO A 45 12.821 -3.174 -7.523 1.00 0.31 H new ATOM 0 HG3 PRO A 45 14.279 -2.392 -8.101 1.00 0.31 H new ATOM 0 HD2 PRO A 45 12.180 -0.886 -7.286 1.00 0.37 H new ATOM 0 HD3 PRO A 45 13.142 -0.370 -8.657 1.00 0.37 H new ATOM 740 N TYR A 46 9.278 -3.418 -10.286 1.00 0.45 N ATOM 741 CA TYR A 46 8.163 -4.340 -10.193 1.00 0.47 C ATOM 742 C TYR A 46 8.362 -5.541 -11.114 1.00 0.49 C ATOM 743 O TYR A 46 7.573 -6.474 -11.094 1.00 0.78 O ATOM 744 CB TYR A 46 6.860 -3.608 -10.517 1.00 0.52 C ATOM 745 CG TYR A 46 6.646 -3.263 -11.981 1.00 0.61 C ATOM 746 CD1 TYR A 46 5.785 -4.058 -12.763 1.00 1.49 C ATOM 747 CD2 TYR A 46 7.224 -2.104 -12.535 1.00 1.79 C ATOM 748 CE1 TYR A 46 5.440 -3.658 -14.066 1.00 1.71 C ATOM 749 CE2 TYR A 46 6.893 -1.705 -13.840 1.00 1.97 C ATOM 750 CZ TYR A 46 5.964 -2.456 -14.594 1.00 1.33 C ATOM 751 OH TYR A 46 5.522 -1.989 -15.793 1.00 1.82 O ATOM 0 H TYR A 46 9.068 -2.586 -10.837 1.00 0.45 H new ATOM 0 HA TYR A 46 8.108 -4.720 -9.173 1.00 0.47 H new ATOM 0 HB2 TYR A 46 6.025 -4.224 -10.182 1.00 0.52 H new ATOM 0 HB3 TYR A 46 6.829 -2.686 -9.937 1.00 0.52 H new ATOM 0 HD1 TYR A 46 5.388 -4.978 -12.360 1.00 1.49 H new ATOM 0 HD2 TYR A 46 7.924 -1.521 -11.955 1.00 1.79 H new ATOM 0 HE1 TYR A 46 4.777 -4.267 -14.662 1.00 1.71 H new ATOM 0 HE2 TYR A 46 7.349 -0.824 -14.267 1.00 1.97 H new ATOM 0 HH TYR A 46 5.169 -1.082 -15.681 1.00 1.82 H new ATOM 761 N ASP A 47 9.411 -5.566 -11.930 1.00 0.49 N ATOM 762 CA ASP A 47 9.661 -6.695 -12.817 1.00 0.52 C ATOM 763 C ASP A 47 9.930 -7.947 -11.987 1.00 0.48 C ATOM 764 O ASP A 47 9.525 -9.051 -12.345 1.00 0.61 O ATOM 765 CB ASP A 47 10.863 -6.420 -13.728 1.00 0.59 C ATOM 766 CG ASP A 47 10.800 -5.045 -14.382 1.00 1.98 C ATOM 767 OD1 ASP A 47 11.076 -4.076 -13.636 1.00 3.66 O ATOM 768 OD2 ASP A 47 10.484 -4.993 -15.589 1.00 2.25 O ATOM 0 H ASP A 47 10.101 -4.817 -11.995 1.00 0.49 H new ATOM 0 HA ASP A 47 8.780 -6.844 -13.441 1.00 0.52 H new ATOM 0 HB2 ASP A 47 11.781 -6.500 -13.146 1.00 0.59 H new ATOM 0 HB3 ASP A 47 10.909 -7.185 -14.503 1.00 0.59 H new ATOM 773 N LYS A 48 10.659 -7.786 -10.877 1.00 0.38 N ATOM 774 CA LYS A 48 11.092 -8.923 -10.075 1.00 0.33 C ATOM 775 C LYS A 48 9.980 -9.437 -9.164 1.00 0.27 C ATOM 776 O LYS A 48 10.101 -10.553 -8.663 1.00 0.32 O ATOM 777 CB LYS A 48 12.337 -8.576 -9.240 1.00 0.40 C ATOM 778 CG LYS A 48 13.637 -8.617 -10.061 1.00 0.53 C ATOM 779 CD LYS A 48 13.905 -7.303 -10.799 1.00 1.12 C ATOM 780 CE LYS A 48 15.117 -7.406 -11.736 1.00 1.09 C ATOM 781 NZ LYS A 48 16.376 -7.697 -11.014 1.00 2.59 N ATOM 0 H LYS A 48 10.958 -6.879 -10.519 1.00 0.38 H new ATOM 0 HA LYS A 48 11.349 -9.718 -10.775 1.00 0.33 H new ATOM 0 HB2 LYS A 48 12.215 -7.581 -8.811 1.00 0.40 H new ATOM 0 HB3 LYS A 48 12.417 -9.275 -8.407 1.00 0.40 H new ATOM 0 HG2 LYS A 48 14.475 -8.835 -9.399 1.00 0.53 H new ATOM 0 HG3 LYS A 48 13.581 -9.431 -10.784 1.00 0.53 H new ATOM 0 HD2 LYS A 48 13.023 -7.025 -11.376 1.00 1.12 H new ATOM 0 HD3 LYS A 48 14.075 -6.508 -10.073 1.00 1.12 H new ATOM 0 HE2 LYS A 48 14.936 -8.189 -12.472 1.00 1.09 H new ATOM 0 HE3 LYS A 48 15.226 -6.471 -12.286 1.00 1.09 H new ATOM 0 HZ1 LYS A 48 17.110 -7.023 -11.311 1.00 2.59 H new ATOM 0 HZ2 LYS A 48 16.218 -7.608 -9.990 1.00 2.59 H new ATOM 0 HZ3 LYS A 48 16.686 -8.665 -11.233 1.00 2.59 H new ATOM 795 N GLY A 49 8.945 -8.642 -8.885 1.00 0.28 N ATOM 796 CA GLY A 49 7.984 -8.985 -7.851 1.00 0.26 C ATOM 797 C GLY A 49 7.160 -7.763 -7.463 1.00 0.29 C ATOM 798 O GLY A 49 7.084 -6.797 -8.215 1.00 0.38 O ATOM 0 H GLY A 49 8.757 -7.760 -9.362 1.00 0.28 H new ATOM 0 HA2 GLY A 49 7.325 -9.777 -8.207 1.00 0.26 H new ATOM 0 HA3 GLY A 49 8.505 -9.373 -6.976 1.00 0.26 H new ATOM 802 N ALA A 50 6.524 -7.804 -6.294 1.00 0.30 N ATOM 803 CA ALA A 50 5.550 -6.821 -5.865 1.00 0.35 C ATOM 804 C ALA A 50 5.632 -6.652 -4.357 1.00 0.33 C ATOM 805 O ALA A 50 6.605 -7.053 -3.720 1.00 0.33 O ATOM 806 CB ALA A 50 4.140 -7.289 -6.247 1.00 0.46 C ATOM 0 H ALA A 50 6.680 -8.542 -5.607 1.00 0.30 H new ATOM 0 HA ALA A 50 5.760 -5.869 -6.353 1.00 0.35 H new ATOM 0 HB1 ALA A 50 3.410 -6.547 -5.923 1.00 0.46 H new ATOM 0 HB2 ALA A 50 4.078 -7.411 -7.328 1.00 0.46 H new ATOM 0 HB3 ALA A 50 3.929 -8.242 -5.762 1.00 0.46 H new ATOM 812 N PHE A 51 4.566 -6.104 -3.780 1.00 0.43 N ATOM 813 CA PHE A 51 4.498 -5.755 -2.381 1.00 0.38 C ATOM 814 C PHE A 51 3.131 -6.215 -1.892 1.00 0.34 C ATOM 815 O PHE A 51 2.117 -5.609 -2.243 1.00 0.37 O ATOM 816 CB PHE A 51 4.692 -4.235 -2.255 1.00 0.41 C ATOM 817 CG PHE A 51 5.762 -3.666 -3.180 1.00 0.85 C ATOM 818 CD1 PHE A 51 7.077 -3.504 -2.724 1.00 0.98 C ATOM 819 CD2 PHE A 51 5.470 -3.386 -4.529 1.00 2.91 C ATOM 820 CE1 PHE A 51 8.073 -3.008 -3.586 1.00 1.08 C ATOM 821 CE2 PHE A 51 6.494 -3.012 -5.417 1.00 3.77 C ATOM 822 CZ PHE A 51 7.794 -2.797 -4.944 1.00 2.59 C ATOM 0 H PHE A 51 3.710 -5.889 -4.292 1.00 0.43 H new ATOM 0 HA PHE A 51 5.271 -6.230 -1.777 1.00 0.38 H new ATOM 0 HB2 PHE A 51 3.744 -3.740 -2.465 1.00 0.41 H new ATOM 0 HB3 PHE A 51 4.954 -3.997 -1.224 1.00 0.41 H new ATOM 0 HD1 PHE A 51 7.328 -3.761 -1.705 1.00 0.98 H new ATOM 0 HD2 PHE A 51 4.453 -3.459 -4.884 1.00 2.91 H new ATOM 0 HE1 PHE A 51 9.057 -2.789 -3.200 1.00 1.08 H new ATOM 0 HE2 PHE A 51 6.277 -2.890 -6.468 1.00 3.77 H new ATOM 0 HZ PHE A 51 8.573 -2.472 -5.617 1.00 2.59 H new ATOM 832 N ARG A 52 3.071 -7.317 -1.139 1.00 0.37 N ATOM 833 CA ARG A 52 1.822 -7.689 -0.487 1.00 0.33 C ATOM 834 C ARG A 52 1.609 -6.744 0.679 1.00 0.25 C ATOM 835 O ARG A 52 2.528 -6.556 1.486 1.00 0.28 O ATOM 836 CB ARG A 52 1.822 -9.140 0.004 1.00 0.42 C ATOM 837 CG ARG A 52 0.494 -9.465 0.699 1.00 0.84 C ATOM 838 CD ARG A 52 0.323 -10.943 1.056 1.00 0.86 C ATOM 839 NE ARG A 52 -0.901 -11.128 1.858 1.00 1.42 N ATOM 840 CZ ARG A 52 -1.509 -12.290 2.129 1.00 1.79 C ATOM 841 NH1 ARG A 52 -2.609 -12.304 2.886 1.00 2.39 N ATOM 842 NH2 ARG A 52 -1.017 -13.429 1.641 1.00 2.01 N ATOM 0 H ARG A 52 3.853 -7.950 -0.971 1.00 0.37 H new ATOM 0 HA ARG A 52 1.012 -7.612 -1.213 1.00 0.33 H new ATOM 0 HB2 ARG A 52 1.975 -9.816 -0.837 1.00 0.42 H new ATOM 0 HB3 ARG A 52 2.650 -9.298 0.695 1.00 0.42 H new ATOM 0 HG2 ARG A 52 0.418 -8.871 1.610 1.00 0.84 H new ATOM 0 HG3 ARG A 52 -0.328 -9.161 0.050 1.00 0.84 H new ATOM 0 HD2 ARG A 52 0.266 -11.541 0.147 1.00 0.86 H new ATOM 0 HD3 ARG A 52 1.191 -11.294 1.615 1.00 0.86 H new ATOM 0 HE ARG A 52 -1.327 -10.286 2.245 1.00 1.42 H new ATOM 0 HH11 ARG A 52 -2.984 -11.431 3.256 1.00 2.39 H new ATOM 0 HH12 ARG A 52 -3.074 -13.188 3.094 1.00 2.39 H new ATOM 0 HH21 ARG A 52 -0.178 -13.415 1.061 1.00 2.01 H new ATOM 0 HH22 ARG A 52 -1.480 -14.314 1.847 1.00 2.01 H new ATOM 856 N ILE A 53 0.391 -6.220 0.787 1.00 0.21 N ATOM 857 CA ILE A 53 -0.050 -5.321 1.826 1.00 0.18 C ATOM 858 C ILE A 53 -1.422 -5.777 2.321 1.00 0.18 C ATOM 859 O ILE A 53 -2.138 -6.510 1.638 1.00 0.23 O ATOM 860 CB ILE A 53 -0.029 -3.871 1.306 1.00 0.14 C ATOM 861 CG1 ILE A 53 -1.051 -3.571 0.196 1.00 0.16 C ATOM 862 CG2 ILE A 53 1.367 -3.557 0.754 1.00 0.18 C ATOM 863 CD1 ILE A 53 -1.326 -2.066 0.131 1.00 0.23 C ATOM 0 H ILE A 53 -0.346 -6.428 0.113 1.00 0.21 H new ATOM 0 HA ILE A 53 0.625 -5.344 2.682 1.00 0.18 H new ATOM 0 HB ILE A 53 -0.296 -3.249 2.160 1.00 0.14 H new ATOM 0 HG12 ILE A 53 -0.671 -3.922 -0.764 1.00 0.16 H new ATOM 0 HG13 ILE A 53 -1.978 -4.111 0.388 1.00 0.16 H new ATOM 0 HG21 ILE A 53 1.390 -2.532 0.384 1.00 0.18 H new ATOM 0 HG22 ILE A 53 2.106 -3.673 1.547 1.00 0.18 H new ATOM 0 HG23 ILE A 53 1.598 -4.242 -0.061 1.00 0.18 H new ATOM 0 HD11 ILE A 53 -2.051 -1.862 -0.657 1.00 0.23 H new ATOM 0 HD12 ILE A 53 -1.725 -1.727 1.087 1.00 0.23 H new ATOM 0 HD13 ILE A 53 -0.398 -1.536 -0.083 1.00 0.23 H new ATOM 875 N GLU A 54 -1.784 -5.362 3.527 1.00 0.19 N ATOM 876 CA GLU A 54 -3.036 -5.723 4.162 1.00 0.22 C ATOM 877 C GLU A 54 -3.586 -4.431 4.745 1.00 0.24 C ATOM 878 O GLU A 54 -2.821 -3.667 5.334 1.00 0.29 O ATOM 879 CB GLU A 54 -2.729 -6.770 5.234 1.00 0.29 C ATOM 880 CG GLU A 54 -3.953 -7.232 6.031 1.00 0.44 C ATOM 881 CD GLU A 54 -3.478 -8.069 7.214 1.00 0.72 C ATOM 882 OE1 GLU A 54 -2.691 -9.011 6.971 1.00 0.83 O ATOM 883 OE2 GLU A 54 -3.755 -7.682 8.369 1.00 1.76 O ATOM 0 H GLU A 54 -1.201 -4.752 4.100 1.00 0.19 H new ATOM 0 HA GLU A 54 -3.772 -6.157 3.485 1.00 0.22 H new ATOM 0 HB2 GLU A 54 -2.271 -7.637 4.758 1.00 0.29 H new ATOM 0 HB3 GLU A 54 -1.993 -6.360 5.926 1.00 0.29 H new ATOM 0 HG2 GLU A 54 -4.523 -6.371 6.381 1.00 0.44 H new ATOM 0 HG3 GLU A 54 -4.618 -7.818 5.396 1.00 0.44 H new ATOM 890 N ILE A 55 -4.877 -4.162 4.545 1.00 0.23 N ATOM 891 CA ILE A 55 -5.497 -2.914 4.945 1.00 0.24 C ATOM 892 C ILE A 55 -6.580 -3.264 5.952 1.00 0.27 C ATOM 893 O ILE A 55 -7.644 -3.773 5.597 1.00 0.58 O ATOM 894 CB ILE A 55 -6.054 -2.123 3.742 1.00 0.24 C ATOM 895 CG1 ILE A 55 -5.162 -2.194 2.484 1.00 0.22 C ATOM 896 CG2 ILE A 55 -6.194 -0.661 4.178 1.00 0.33 C ATOM 897 CD1 ILE A 55 -5.609 -3.280 1.501 1.00 0.63 C ATOM 0 H ILE A 55 -5.520 -4.814 4.097 1.00 0.23 H new ATOM 0 HA ILE A 55 -4.757 -2.251 5.394 1.00 0.24 H new ATOM 0 HB ILE A 55 -7.008 -2.569 3.462 1.00 0.24 H new ATOM 0 HG12 ILE A 55 -5.174 -1.227 1.981 1.00 0.22 H new ATOM 0 HG13 ILE A 55 -4.132 -2.384 2.785 1.00 0.22 H new ATOM 0 HG21 ILE A 55 -6.586 -0.070 3.350 1.00 0.33 H new ATOM 0 HG22 ILE A 55 -6.877 -0.598 5.025 1.00 0.33 H new ATOM 0 HG23 ILE A 55 -5.218 -0.273 4.470 1.00 0.33 H new ATOM 0 HD11 ILE A 55 -4.945 -3.283 0.636 1.00 0.63 H new ATOM 0 HD12 ILE A 55 -5.571 -4.253 1.991 1.00 0.63 H new ATOM 0 HD13 ILE A 55 -6.629 -3.078 1.175 1.00 0.63 H new ATOM 909 N ASN A 56 -6.297 -3.037 7.229 1.00 0.30 N ATOM 910 CA ASN A 56 -7.239 -3.335 8.284 1.00 0.26 C ATOM 911 C ASN A 56 -8.246 -2.193 8.326 1.00 0.25 C ATOM 912 O ASN A 56 -7.905 -1.071 8.700 1.00 0.28 O ATOM 913 CB ASN A 56 -6.501 -3.485 9.620 1.00 0.30 C ATOM 914 CG ASN A 56 -5.343 -4.468 9.508 1.00 0.34 C ATOM 915 OD1 ASN A 56 -4.185 -4.061 9.505 1.00 1.15 O ATOM 916 ND2 ASN A 56 -5.645 -5.751 9.371 1.00 1.06 N ATOM 0 H ASN A 56 -5.413 -2.644 7.554 1.00 0.30 H new ATOM 0 HA ASN A 56 -7.757 -4.276 8.099 1.00 0.26 H new ATOM 0 HB2 ASN A 56 -6.126 -2.513 9.941 1.00 0.30 H new ATOM 0 HB3 ASN A 56 -7.197 -3.827 10.386 1.00 0.30 H new ATOM 0 HD21 ASN A 56 -4.902 -6.441 9.258 1.00 1.06 H new ATOM 0 HD22 ASN A 56 -6.620 -6.049 9.379 1.00 1.06 H new ATOM 923 N PHE A 57 -9.485 -2.485 7.932 1.00 0.26 N ATOM 924 CA PHE A 57 -10.582 -1.533 7.944 1.00 0.29 C ATOM 925 C PHE A 57 -11.552 -1.991 9.028 1.00 0.40 C ATOM 926 O PHE A 57 -12.293 -2.942 8.812 1.00 0.73 O ATOM 927 CB PHE A 57 -11.253 -1.501 6.562 1.00 0.43 C ATOM 928 CG PHE A 57 -10.956 -0.263 5.749 1.00 0.49 C ATOM 929 CD1 PHE A 57 -11.937 0.727 5.584 1.00 1.58 C ATOM 930 CD2 PHE A 57 -9.701 -0.112 5.139 1.00 2.14 C ATOM 931 CE1 PHE A 57 -11.682 1.857 4.787 1.00 1.41 C ATOM 932 CE2 PHE A 57 -9.433 1.033 4.370 1.00 2.47 C ATOM 933 CZ PHE A 57 -10.428 2.007 4.176 1.00 1.14 C ATOM 0 H PHE A 57 -9.754 -3.408 7.590 1.00 0.26 H new ATOM 0 HA PHE A 57 -10.238 -0.521 8.157 1.00 0.29 H new ATOM 0 HB2 PHE A 57 -10.933 -2.377 5.997 1.00 0.43 H new ATOM 0 HB3 PHE A 57 -12.332 -1.583 6.694 1.00 0.43 H new ATOM 0 HD1 PHE A 57 -12.894 0.620 6.073 1.00 1.58 H new ATOM 0 HD2 PHE A 57 -8.944 -0.873 5.260 1.00 2.14 H new ATOM 0 HE1 PHE A 57 -12.448 2.606 4.646 1.00 1.41 H new ATOM 0 HE2 PHE A 57 -8.458 1.166 3.926 1.00 2.47 H new ATOM 0 HZ PHE A 57 -10.227 2.869 3.558 1.00 1.14 H new ATOM 943 N PRO A 58 -11.545 -1.379 10.217 1.00 0.37 N ATOM 944 CA PRO A 58 -12.427 -1.800 11.290 1.00 0.48 C ATOM 945 C PRO A 58 -13.864 -1.360 11.009 1.00 0.36 C ATOM 946 O PRO A 58 -14.130 -0.565 10.106 1.00 0.25 O ATOM 947 CB PRO A 58 -11.852 -1.141 12.548 1.00 0.64 C ATOM 948 CG PRO A 58 -11.187 0.126 12.011 1.00 0.62 C ATOM 949 CD PRO A 58 -10.665 -0.304 10.641 1.00 0.50 C ATOM 0 HA PRO A 58 -12.473 -2.883 11.400 1.00 0.48 H new ATOM 0 HB2 PRO A 58 -12.632 -0.909 13.273 1.00 0.64 H new ATOM 0 HB3 PRO A 58 -11.134 -1.790 13.049 1.00 0.64 H new ATOM 0 HG2 PRO A 58 -11.897 0.949 11.931 1.00 0.62 H new ATOM 0 HG3 PRO A 58 -10.380 0.463 12.661 1.00 0.62 H new ATOM 0 HD2 PRO A 58 -10.687 0.525 9.934 1.00 0.50 H new ATOM 0 HD3 PRO A 58 -9.631 -0.643 10.703 1.00 0.50 H new ATOM 957 N ALA A 59 -14.806 -1.829 11.835 1.00 0.46 N ATOM 958 CA ALA A 59 -16.177 -1.335 11.794 1.00 0.43 C ATOM 959 C ALA A 59 -16.213 0.173 11.985 1.00 0.31 C ATOM 960 O ALA A 59 -17.031 0.864 11.385 1.00 0.26 O ATOM 961 CB ALA A 59 -17.036 -2.035 12.842 1.00 0.53 C ATOM 0 H ALA A 59 -14.639 -2.549 12.538 1.00 0.46 H new ATOM 0 HA ALA A 59 -16.590 -1.562 10.811 1.00 0.43 H new ATOM 0 HB1 ALA A 59 -18.055 -1.651 12.793 1.00 0.53 H new ATOM 0 HB2 ALA A 59 -17.043 -3.108 12.649 1.00 0.53 H new ATOM 0 HB3 ALA A 59 -16.625 -1.848 13.834 1.00 0.53 H new ATOM 967 N GLU A 60 -15.283 0.689 12.783 1.00 0.34 N ATOM 968 CA GLU A 60 -15.104 2.108 13.005 1.00 0.35 C ATOM 969 C GLU A 60 -14.469 2.813 11.803 1.00 0.31 C ATOM 970 O GLU A 60 -13.897 3.875 11.992 1.00 0.40 O ATOM 971 CB GLU A 60 -14.218 2.304 14.242 1.00 0.56 C ATOM 972 CG GLU A 60 -14.885 1.733 15.493 1.00 0.79 C ATOM 973 CD GLU A 60 -14.025 1.994 16.738 1.00 0.98 C ATOM 974 OE1 GLU A 60 -13.856 1.046 17.532 1.00 1.49 O ATOM 975 OE2 GLU A 60 -13.516 3.132 16.884 1.00 2.47 O ATOM 0 H GLU A 60 -14.621 0.113 13.302 1.00 0.34 H new ATOM 0 HA GLU A 60 -16.088 2.552 13.155 1.00 0.35 H new ATOM 0 HB2 GLU A 60 -13.256 1.817 14.085 1.00 0.56 H new ATOM 0 HB3 GLU A 60 -14.018 3.366 14.385 1.00 0.56 H new ATOM 0 HG2 GLU A 60 -15.869 2.184 15.624 1.00 0.79 H new ATOM 0 HG3 GLU A 60 -15.040 0.661 15.371 1.00 0.79 H new ATOM 982 N TYR A 61 -14.577 2.307 10.572 1.00 0.25 N ATOM 983 CA TYR A 61 -14.069 3.023 9.400 1.00 0.32 C ATOM 984 C TYR A 61 -14.565 4.481 9.351 1.00 0.41 C ATOM 985 O TYR A 61 -13.755 5.400 9.242 1.00 0.44 O ATOM 986 CB TYR A 61 -14.371 2.220 8.121 1.00 0.40 C ATOM 987 CG TYR A 61 -14.713 3.037 6.884 1.00 0.48 C ATOM 988 CD1 TYR A 61 -15.905 2.774 6.182 1.00 1.72 C ATOM 989 CD2 TYR A 61 -13.885 4.098 6.471 1.00 1.71 C ATOM 990 CE1 TYR A 61 -16.291 3.593 5.108 1.00 1.71 C ATOM 991 CE2 TYR A 61 -14.283 4.942 5.421 1.00 1.82 C ATOM 992 CZ TYR A 61 -15.497 4.701 4.738 1.00 0.72 C ATOM 993 OH TYR A 61 -15.915 5.533 3.740 1.00 0.86 O ATOM 0 H TYR A 61 -15.010 1.408 10.362 1.00 0.25 H new ATOM 0 HA TYR A 61 -12.985 3.103 9.478 1.00 0.32 H new ATOM 0 HB2 TYR A 61 -13.505 1.599 7.893 1.00 0.40 H new ATOM 0 HB3 TYR A 61 -15.202 1.545 8.327 1.00 0.40 H new ATOM 0 HD1 TYR A 61 -16.525 1.939 6.471 1.00 1.72 H new ATOM 0 HD2 TYR A 61 -12.939 4.264 6.964 1.00 1.71 H new ATOM 0 HE1 TYR A 61 -17.198 3.375 4.563 1.00 1.71 H new ATOM 0 HE2 TYR A 61 -13.660 5.777 5.135 1.00 1.82 H new ATOM 0 HH TYR A 61 -15.138 5.964 3.327 1.00 0.86 H new ATOM 1003 N PRO A 62 -15.873 4.761 9.427 1.00 0.49 N ATOM 1004 CA PRO A 62 -16.331 6.139 9.370 1.00 0.60 C ATOM 1005 C PRO A 62 -16.055 6.897 10.677 1.00 0.66 C ATOM 1006 O PRO A 62 -16.311 8.095 10.751 1.00 0.79 O ATOM 1007 CB PRO A 62 -17.821 6.038 9.044 1.00 0.66 C ATOM 1008 CG PRO A 62 -18.232 4.709 9.677 1.00 0.58 C ATOM 1009 CD PRO A 62 -16.986 3.835 9.536 1.00 0.50 C ATOM 0 HA PRO A 62 -15.797 6.718 8.617 1.00 0.60 H new ATOM 0 HB2 PRO A 62 -18.382 6.873 9.463 1.00 0.66 H new ATOM 0 HB3 PRO A 62 -17.998 6.043 7.969 1.00 0.66 H new ATOM 0 HG2 PRO A 62 -18.516 4.835 10.722 1.00 0.58 H new ATOM 0 HG3 PRO A 62 -19.088 4.270 9.165 1.00 0.58 H new ATOM 0 HD2 PRO A 62 -16.867 3.179 10.398 1.00 0.50 H new ATOM 0 HD3 PRO A 62 -17.052 3.196 8.656 1.00 0.50 H new ATOM 1017 N PHE A 63 -15.540 6.223 11.706 1.00 0.60 N ATOM 1018 CA PHE A 63 -15.188 6.799 12.994 1.00 0.69 C ATOM 1019 C PHE A 63 -13.701 7.160 13.085 1.00 0.74 C ATOM 1020 O PHE A 63 -13.352 8.104 13.784 1.00 0.93 O ATOM 1021 CB PHE A 63 -15.571 5.810 14.106 1.00 0.67 C ATOM 1022 CG PHE A 63 -16.745 6.248 14.950 1.00 0.67 C ATOM 1023 CD1 PHE A 63 -16.590 7.322 15.845 1.00 2.03 C ATOM 1024 CD2 PHE A 63 -17.977 5.574 14.867 1.00 1.77 C ATOM 1025 CE1 PHE A 63 -17.664 7.721 16.659 1.00 2.18 C ATOM 1026 CE2 PHE A 63 -19.052 5.974 15.680 1.00 1.68 C ATOM 1027 CZ PHE A 63 -18.895 7.046 16.577 1.00 0.90 C ATOM 0 H PHE A 63 -15.351 5.222 11.658 1.00 0.60 H new ATOM 0 HA PHE A 63 -15.742 7.730 13.113 1.00 0.69 H new ATOM 0 HB2 PHE A 63 -15.803 4.845 13.654 1.00 0.67 H new ATOM 0 HB3 PHE A 63 -14.708 5.659 14.755 1.00 0.67 H new ATOM 0 HD1 PHE A 63 -15.645 7.841 15.907 1.00 2.03 H new ATOM 0 HD2 PHE A 63 -18.097 4.750 14.179 1.00 1.77 H new ATOM 0 HE1 PHE A 63 -17.544 8.545 17.347 1.00 2.18 H new ATOM 0 HE2 PHE A 63 -19.999 5.458 15.616 1.00 1.68 H new ATOM 0 HZ PHE A 63 -19.720 7.351 17.203 1.00 0.90 H new ATOM 1037 N LYS A 64 -12.808 6.391 12.457 1.00 0.58 N ATOM 1038 CA LYS A 64 -11.360 6.493 12.622 1.00 0.53 C ATOM 1039 C LYS A 64 -10.706 5.976 11.342 1.00 0.49 C ATOM 1040 O LYS A 64 -11.296 5.158 10.641 1.00 0.54 O ATOM 1041 CB LYS A 64 -10.878 5.619 13.797 1.00 0.55 C ATOM 1042 CG LYS A 64 -10.888 6.295 15.178 1.00 2.37 C ATOM 1043 CD LYS A 64 -12.196 6.108 15.958 1.00 3.46 C ATOM 1044 CE LYS A 64 -11.966 6.152 17.469 1.00 4.42 C ATOM 1045 NZ LYS A 64 -11.518 4.841 17.982 1.00 3.89 N ATOM 0 H LYS A 64 -13.083 5.660 11.801 1.00 0.58 H new ATOM 0 HA LYS A 64 -11.094 7.531 12.823 1.00 0.53 H new ATOM 0 HB2 LYS A 64 -11.504 4.728 13.844 1.00 0.55 H new ATOM 0 HB3 LYS A 64 -9.863 5.284 13.584 1.00 0.55 H new ATOM 0 HG2 LYS A 64 -10.064 5.898 15.771 1.00 2.37 H new ATOM 0 HG3 LYS A 64 -10.703 7.362 15.050 1.00 2.37 H new ATOM 0 HD2 LYS A 64 -12.903 6.888 15.675 1.00 3.46 H new ATOM 0 HD3 LYS A 64 -12.648 5.154 15.687 1.00 3.46 H new ATOM 0 HE2 LYS A 64 -11.220 6.911 17.703 1.00 4.42 H new ATOM 0 HE3 LYS A 64 -12.888 6.446 17.971 1.00 4.42 H new ATOM 0 HZ1 LYS A 64 -11.517 4.857 19.022 1.00 3.89 H new ATOM 0 HZ2 LYS A 64 -12.165 4.098 17.648 1.00 3.89 H new ATOM 0 HZ3 LYS A 64 -10.557 4.644 17.638 1.00 3.89 H new ATOM 1059 N PRO A 65 -9.483 6.409 11.026 1.00 0.40 N ATOM 1060 CA PRO A 65 -8.807 5.950 9.831 1.00 0.35 C ATOM 1061 C PRO A 65 -8.394 4.481 9.994 1.00 0.34 C ATOM 1062 O PRO A 65 -8.156 4.016 11.110 1.00 0.39 O ATOM 1063 CB PRO A 65 -7.604 6.880 9.673 1.00 0.31 C ATOM 1064 CG PRO A 65 -7.278 7.285 11.110 1.00 0.32 C ATOM 1065 CD PRO A 65 -8.644 7.306 11.798 1.00 0.34 C ATOM 0 HA PRO A 65 -9.438 5.984 8.943 1.00 0.35 H new ATOM 0 HB2 PRO A 65 -6.764 6.373 9.198 1.00 0.31 H new ATOM 0 HB3 PRO A 65 -7.844 7.746 9.056 1.00 0.31 H new ATOM 0 HG2 PRO A 65 -6.602 6.573 11.583 1.00 0.32 H new ATOM 0 HG3 PRO A 65 -6.794 8.261 11.151 1.00 0.32 H new ATOM 0 HD2 PRO A 65 -8.566 6.976 12.834 1.00 0.34 H new ATOM 0 HD3 PRO A 65 -9.059 8.314 11.815 1.00 0.34 H new ATOM 1073 N PRO A 66 -8.301 3.747 8.879 1.00 0.32 N ATOM 1074 CA PRO A 66 -7.794 2.386 8.827 1.00 0.32 C ATOM 1075 C PRO A 66 -6.286 2.375 8.994 1.00 0.32 C ATOM 1076 O PRO A 66 -5.628 3.401 9.158 1.00 0.32 O ATOM 1077 CB PRO A 66 -8.186 1.863 7.446 1.00 0.35 C ATOM 1078 CG PRO A 66 -8.119 3.133 6.604 1.00 0.37 C ATOM 1079 CD PRO A 66 -8.596 4.231 7.547 1.00 0.35 C ATOM 0 HA PRO A 66 -8.203 1.768 9.626 1.00 0.32 H new ATOM 0 HB2 PRO A 66 -7.498 1.098 7.088 1.00 0.35 H new ATOM 0 HB3 PRO A 66 -9.183 1.422 7.443 1.00 0.35 H new ATOM 0 HG2 PRO A 66 -7.106 3.324 6.251 1.00 0.37 H new ATOM 0 HG3 PRO A 66 -8.756 3.061 5.722 1.00 0.37 H new ATOM 0 HD2 PRO A 66 -8.082 5.171 7.348 1.00 0.35 H new ATOM 0 HD3 PRO A 66 -9.663 4.419 7.424 1.00 0.35 H new ATOM 1087 N LYS A 67 -5.737 1.171 8.918 1.00 0.42 N ATOM 1088 CA LYS A 67 -4.340 0.897 9.139 1.00 0.33 C ATOM 1089 C LYS A 67 -3.890 0.029 7.978 1.00 0.29 C ATOM 1090 O LYS A 67 -4.692 -0.714 7.419 1.00 0.41 O ATOM 1091 CB LYS A 67 -4.263 0.194 10.495 1.00 0.63 C ATOM 1092 CG LYS A 67 -2.898 -0.368 10.856 1.00 1.81 C ATOM 1093 CD LYS A 67 -1.814 0.712 11.007 1.00 1.11 C ATOM 1094 CE LYS A 67 -0.749 0.324 12.041 1.00 1.74 C ATOM 1095 NZ LYS A 67 -1.253 0.421 13.430 1.00 2.47 N ATOM 0 H LYS A 67 -6.277 0.336 8.693 1.00 0.42 H new ATOM 0 HA LYS A 67 -3.692 1.773 9.172 1.00 0.33 H new ATOM 0 HB2 LYS A 67 -4.564 0.899 11.270 1.00 0.63 H new ATOM 0 HB3 LYS A 67 -4.988 -0.620 10.506 1.00 0.63 H new ATOM 0 HG2 LYS A 67 -2.978 -0.925 11.789 1.00 1.81 H new ATOM 0 HG3 LYS A 67 -2.590 -1.077 10.087 1.00 1.81 H new ATOM 0 HD2 LYS A 67 -1.336 0.882 10.042 1.00 1.11 H new ATOM 0 HD3 LYS A 67 -2.279 1.652 11.303 1.00 1.11 H new ATOM 0 HE2 LYS A 67 -0.413 -0.695 11.849 1.00 1.74 H new ATOM 0 HE3 LYS A 67 0.119 0.973 11.926 1.00 1.74 H new ATOM 0 HZ1 LYS A 67 -0.460 0.316 14.095 1.00 2.47 H new ATOM 0 HZ2 LYS A 67 -1.704 1.348 13.572 1.00 2.47 H new ATOM 0 HZ3 LYS A 67 -1.950 -0.332 13.600 1.00 2.47 H new ATOM 1109 N ILE A 68 -2.616 0.115 7.610 1.00 0.22 N ATOM 1110 CA ILE A 68 -2.048 -0.723 6.572 1.00 0.20 C ATOM 1111 C ILE A 68 -0.774 -1.304 7.147 1.00 0.20 C ATOM 1112 O ILE A 68 -0.079 -0.625 7.904 1.00 0.24 O ATOM 1113 CB ILE A 68 -1.744 0.071 5.287 1.00 0.19 C ATOM 1114 CG1 ILE A 68 -2.658 1.298 5.132 1.00 0.29 C ATOM 1115 CG2 ILE A 68 -1.843 -0.844 4.065 1.00 0.24 C ATOM 1116 CD1 ILE A 68 -2.261 2.100 3.903 1.00 0.35 C ATOM 0 H ILE A 68 -1.952 0.769 8.026 1.00 0.22 H new ATOM 0 HA ILE A 68 -2.757 -1.500 6.285 1.00 0.20 H new ATOM 0 HB ILE A 68 -0.724 0.447 5.365 1.00 0.19 H new ATOM 0 HG12 ILE A 68 -3.696 0.978 5.046 1.00 0.29 H new ATOM 0 HG13 ILE A 68 -2.590 1.925 6.021 1.00 0.29 H new ATOM 0 HG21 ILE A 68 -1.626 -0.271 3.163 1.00 0.24 H new ATOM 0 HG22 ILE A 68 -1.124 -1.657 4.160 1.00 0.24 H new ATOM 0 HG23 ILE A 68 -2.850 -1.256 4.000 1.00 0.24 H new ATOM 0 HD11 ILE A 68 -2.917 2.965 3.806 1.00 0.35 H new ATOM 0 HD12 ILE A 68 -1.229 2.436 4.006 1.00 0.35 H new ATOM 0 HD13 ILE A 68 -2.352 1.474 3.015 1.00 0.35 H new ATOM 1128 N THR A 69 -0.460 -2.540 6.776 1.00 0.21 N ATOM 1129 CA THR A 69 0.814 -3.124 7.127 1.00 0.23 C ATOM 1130 C THR A 69 1.258 -3.985 5.952 1.00 0.22 C ATOM 1131 O THR A 69 0.531 -4.883 5.520 1.00 0.24 O ATOM 1132 CB THR A 69 0.671 -3.954 8.413 1.00 0.31 C ATOM 1133 OG1 THR A 69 -0.251 -3.381 9.319 1.00 0.42 O ATOM 1134 CG2 THR A 69 2.019 -4.060 9.122 1.00 0.38 C ATOM 0 H THR A 69 -1.073 -3.149 6.234 1.00 0.21 H new ATOM 0 HA THR A 69 1.562 -2.356 7.322 1.00 0.23 H new ATOM 0 HB THR A 69 0.308 -4.936 8.112 1.00 0.31 H new ATOM 0 HG1 THR A 69 -0.312 -3.941 10.121 1.00 0.42 H new ATOM 0 HG21 THR A 69 1.906 -4.650 10.032 1.00 0.38 H new ATOM 0 HG22 THR A 69 2.740 -4.544 8.463 1.00 0.38 H new ATOM 0 HG23 THR A 69 2.375 -3.062 9.378 1.00 0.38 H new ATOM 1142 N PHE A 70 2.437 -3.701 5.406 1.00 0.22 N ATOM 1143 CA PHE A 70 3.022 -4.527 4.370 1.00 0.21 C ATOM 1144 C PHE A 70 3.367 -5.872 4.998 1.00 0.28 C ATOM 1145 O PHE A 70 3.978 -5.937 6.062 1.00 0.27 O ATOM 1146 CB PHE A 70 4.254 -3.847 3.758 1.00 0.23 C ATOM 1147 CG PHE A 70 3.969 -2.721 2.775 1.00 0.17 C ATOM 1148 CD1 PHE A 70 3.081 -1.673 3.094 1.00 0.13 C ATOM 1149 CD2 PHE A 70 4.598 -2.727 1.513 1.00 0.23 C ATOM 1150 CE1 PHE A 70 2.844 -0.640 2.173 1.00 0.15 C ATOM 1151 CE2 PHE A 70 4.387 -1.675 0.605 1.00 0.25 C ATOM 1152 CZ PHE A 70 3.518 -0.623 0.942 1.00 0.20 C ATOM 0 H PHE A 70 3.005 -2.897 5.671 1.00 0.22 H new ATOM 0 HA PHE A 70 2.319 -4.674 3.550 1.00 0.21 H new ATOM 0 HB2 PHE A 70 4.867 -3.451 4.568 1.00 0.23 H new ATOM 0 HB3 PHE A 70 4.849 -4.606 3.250 1.00 0.23 H new ATOM 0 HD1 PHE A 70 2.581 -1.665 4.051 1.00 0.13 H new ATOM 0 HD2 PHE A 70 5.247 -3.546 1.242 1.00 0.23 H new ATOM 0 HE1 PHE A 70 2.141 0.144 2.413 1.00 0.15 H new ATOM 0 HE2 PHE A 70 4.892 -1.675 -0.350 1.00 0.25 H new ATOM 0 HZ PHE A 70 3.369 0.197 0.255 1.00 0.20 H new ATOM 1162 N LYS A 71 2.931 -6.954 4.357 1.00 0.45 N ATOM 1163 CA LYS A 71 3.298 -8.307 4.747 1.00 0.54 C ATOM 1164 C LYS A 71 4.713 -8.609 4.270 1.00 0.57 C ATOM 1165 O LYS A 71 5.425 -9.395 4.886 1.00 0.70 O ATOM 1166 CB LYS A 71 2.332 -9.308 4.110 1.00 0.56 C ATOM 1167 CG LYS A 71 0.858 -9.037 4.425 1.00 0.64 C ATOM 1168 CD LYS A 71 0.480 -9.265 5.891 1.00 0.75 C ATOM 1169 CE LYS A 71 0.646 -7.996 6.738 1.00 1.03 C ATOM 1170 NZ LYS A 71 -0.187 -8.066 7.959 1.00 1.44 N ATOM 0 H LYS A 71 2.310 -6.913 3.549 1.00 0.45 H new ATOM 0 HA LYS A 71 3.249 -8.391 5.833 1.00 0.54 H new ATOM 0 HB2 LYS A 71 2.471 -9.294 3.029 1.00 0.56 H new ATOM 0 HB3 LYS A 71 2.587 -10.311 4.451 1.00 0.56 H new ATOM 0 HG2 LYS A 71 0.624 -8.007 4.156 1.00 0.64 H new ATOM 0 HG3 LYS A 71 0.240 -9.679 3.797 1.00 0.64 H new ATOM 0 HD2 LYS A 71 -0.554 -9.605 5.949 1.00 0.75 H new ATOM 0 HD3 LYS A 71 1.101 -10.060 6.305 1.00 0.75 H new ATOM 0 HE2 LYS A 71 1.693 -7.872 7.014 1.00 1.03 H new ATOM 0 HE3 LYS A 71 0.365 -7.122 6.150 1.00 1.03 H new ATOM 0 HZ1 LYS A 71 -0.460 -7.105 8.249 1.00 1.44 H new ATOM 0 HZ2 LYS A 71 -1.042 -8.625 7.764 1.00 1.44 H new ATOM 0 HZ3 LYS A 71 0.355 -8.517 8.724 1.00 1.44 H new ATOM 1184 N THR A 72 5.092 -8.033 3.132 1.00 0.53 N ATOM 1185 CA THR A 72 6.426 -8.189 2.591 1.00 0.55 C ATOM 1186 C THR A 72 7.307 -7.081 3.182 1.00 0.67 C ATOM 1187 O THR A 72 6.791 -6.084 3.686 1.00 0.92 O ATOM 1188 CB THR A 72 6.343 -8.222 1.053 1.00 0.50 C ATOM 1189 OG1 THR A 72 5.498 -7.212 0.518 1.00 0.60 O ATOM 1190 CG2 THR A 72 5.771 -9.577 0.614 1.00 0.43 C ATOM 0 H THR A 72 4.479 -7.447 2.565 1.00 0.53 H new ATOM 0 HA THR A 72 6.894 -9.133 2.870 1.00 0.55 H new ATOM 0 HB THR A 72 7.354 -8.055 0.681 1.00 0.50 H new ATOM 0 HG1 THR A 72 6.024 -6.403 0.345 1.00 0.60 H new ATOM 0 HG21 THR A 72 5.708 -9.610 -0.474 1.00 0.43 H new ATOM 0 HG22 THR A 72 6.422 -10.378 0.965 1.00 0.43 H new ATOM 0 HG23 THR A 72 4.776 -9.707 1.039 1.00 0.43 H new ATOM 1198 N LYS A 73 8.632 -7.268 3.176 1.00 0.58 N ATOM 1199 CA LYS A 73 9.584 -6.253 3.635 1.00 0.63 C ATOM 1200 C LYS A 73 9.390 -4.986 2.807 1.00 0.78 C ATOM 1201 O LYS A 73 8.815 -5.054 1.720 1.00 1.20 O ATOM 1202 CB LYS A 73 11.023 -6.787 3.477 1.00 0.57 C ATOM 1203 CG LYS A 73 11.782 -7.043 4.778 1.00 0.90 C ATOM 1204 CD LYS A 73 10.980 -7.832 5.810 1.00 0.61 C ATOM 1205 CE LYS A 73 11.975 -8.370 6.836 1.00 0.75 C ATOM 1206 NZ LYS A 73 11.338 -8.587 8.148 1.00 1.61 N ATOM 0 H LYS A 73 9.074 -8.129 2.852 1.00 0.58 H new ATOM 0 HA LYS A 73 9.413 -6.024 4.687 1.00 0.63 H new ATOM 0 HB2 LYS A 73 10.985 -7.718 2.911 1.00 0.57 H new ATOM 0 HB3 LYS A 73 11.592 -6.074 2.880 1.00 0.57 H new ATOM 0 HG2 LYS A 73 12.700 -7.585 4.552 1.00 0.90 H new ATOM 0 HG3 LYS A 73 12.075 -6.087 5.212 1.00 0.90 H new ATOM 0 HD2 LYS A 73 10.238 -7.194 6.291 1.00 0.61 H new ATOM 0 HD3 LYS A 73 10.438 -8.649 5.334 1.00 0.61 H new ATOM 0 HE2 LYS A 73 12.398 -9.308 6.477 1.00 0.75 H new ATOM 0 HE3 LYS A 73 12.802 -7.668 6.944 1.00 0.75 H new ATOM 0 HZ1 LYS A 73 12.043 -8.952 8.820 1.00 1.61 H new ATOM 0 HZ2 LYS A 73 10.957 -7.687 8.502 1.00 1.61 H new ATOM 0 HZ3 LYS A 73 10.565 -9.275 8.049 1.00 1.61 H new ATOM 1220 N ILE A 74 9.948 -3.852 3.242 1.00 0.50 N ATOM 1221 CA ILE A 74 9.927 -2.647 2.422 1.00 0.42 C ATOM 1222 C ILE A 74 11.314 -2.031 2.289 1.00 0.33 C ATOM 1223 O ILE A 74 12.211 -2.308 3.075 1.00 0.48 O ATOM 1224 CB ILE A 74 8.873 -1.668 2.952 1.00 0.42 C ATOM 1225 CG1 ILE A 74 9.157 -1.160 4.371 1.00 0.43 C ATOM 1226 CG2 ILE A 74 7.510 -2.369 2.945 1.00 0.54 C ATOM 1227 CD1 ILE A 74 10.106 0.038 4.413 1.00 0.44 C ATOM 0 H ILE A 74 10.412 -3.748 4.144 1.00 0.50 H new ATOM 0 HA ILE A 74 9.634 -2.914 1.407 1.00 0.42 H new ATOM 0 HB ILE A 74 8.892 -0.797 2.297 1.00 0.42 H new ATOM 0 HG12 ILE A 74 8.215 -0.884 4.844 1.00 0.43 H new ATOM 0 HG13 ILE A 74 9.584 -1.972 4.960 1.00 0.43 H new ATOM 0 HG21 ILE A 74 6.748 -1.686 3.320 1.00 0.54 H new ATOM 0 HG22 ILE A 74 7.260 -2.669 1.927 1.00 0.54 H new ATOM 0 HG23 ILE A 74 7.552 -3.252 3.583 1.00 0.54 H new ATOM 0 HD11 ILE A 74 10.261 0.343 5.448 1.00 0.44 H new ATOM 0 HD12 ILE A 74 11.062 -0.240 3.969 1.00 0.44 H new ATOM 0 HD13 ILE A 74 9.672 0.866 3.852 1.00 0.44 H new ATOM 1239 N TYR A 75 11.480 -1.196 1.262 1.00 0.32 N ATOM 1240 CA TYR A 75 12.703 -0.444 1.010 1.00 0.33 C ATOM 1241 C TYR A 75 12.360 0.977 0.559 1.00 0.46 C ATOM 1242 O TYR A 75 13.158 1.645 -0.090 1.00 0.99 O ATOM 1243 CB TYR A 75 13.540 -1.179 -0.048 1.00 0.61 C ATOM 1244 CG TYR A 75 14.981 -1.361 0.366 1.00 0.84 C ATOM 1245 CD1 TYR A 75 15.328 -2.446 1.189 1.00 2.44 C ATOM 1246 CD2 TYR A 75 15.966 -0.443 -0.043 1.00 1.78 C ATOM 1247 CE1 TYR A 75 16.670 -2.668 1.536 1.00 2.71 C ATOM 1248 CE2 TYR A 75 17.307 -0.641 0.328 1.00 2.18 C ATOM 1249 CZ TYR A 75 17.671 -1.781 1.083 1.00 1.90 C ATOM 1250 OH TYR A 75 18.976 -2.047 1.370 1.00 2.48 O ATOM 0 H TYR A 75 10.751 -1.022 0.570 1.00 0.32 H new ATOM 0 HA TYR A 75 13.289 -0.370 1.926 1.00 0.33 H new ATOM 0 HB2 TYR A 75 13.096 -2.156 -0.241 1.00 0.61 H new ATOM 0 HB3 TYR A 75 13.504 -0.622 -0.984 1.00 0.61 H new ATOM 0 HD1 TYR A 75 14.560 -3.111 1.556 1.00 2.44 H new ATOM 0 HD2 TYR A 75 15.692 0.413 -0.642 1.00 1.78 H new ATOM 0 HE1 TYR A 75 16.937 -3.516 2.149 1.00 2.71 H new ATOM 0 HE2 TYR A 75 18.060 0.077 0.037 1.00 2.18 H new ATOM 0 HH TYR A 75 19.491 -2.095 0.537 1.00 2.48 H new ATOM 1260 N HIS A 76 11.149 1.442 0.875 1.00 0.25 N ATOM 1261 CA HIS A 76 10.664 2.753 0.476 1.00 0.30 C ATOM 1262 C HIS A 76 10.433 3.540 1.754 1.00 0.25 C ATOM 1263 O HIS A 76 9.822 3.003 2.669 1.00 0.25 O ATOM 1264 CB HIS A 76 9.328 2.631 -0.262 1.00 0.35 C ATOM 1265 CG HIS A 76 9.384 2.030 -1.640 1.00 0.52 C ATOM 1266 ND1 HIS A 76 9.470 0.684 -1.949 1.00 0.68 N ATOM 1267 CD2 HIS A 76 9.175 2.719 -2.800 1.00 1.01 C ATOM 1268 CE1 HIS A 76 9.308 0.560 -3.280 1.00 0.92 C ATOM 1269 NE2 HIS A 76 9.109 1.785 -3.811 1.00 1.25 N ATOM 0 H HIS A 76 10.474 0.907 1.422 1.00 0.25 H new ATOM 0 HA HIS A 76 11.384 3.236 -0.185 1.00 0.30 H new ATOM 0 HB2 HIS A 76 8.654 2.029 0.347 1.00 0.35 H new ATOM 0 HB3 HIS A 76 8.887 3.625 -0.339 1.00 0.35 H new ATOM 0 HD2 HIS A 76 9.080 3.790 -2.905 1.00 1.01 H new ATOM 0 HE1 HIS A 76 9.333 -0.368 -3.832 1.00 0.92 H new ATOM 0 HE2 HIS A 76 8.938 1.986 -4.796 1.00 1.25 H new ATOM 1278 N PRO A 77 10.814 4.818 1.806 1.00 0.24 N ATOM 1279 CA PRO A 77 10.729 5.622 3.017 1.00 0.20 C ATOM 1280 C PRO A 77 9.294 5.848 3.481 1.00 0.21 C ATOM 1281 O PRO A 77 9.062 6.240 4.621 1.00 0.20 O ATOM 1282 CB PRO A 77 11.397 6.939 2.639 1.00 0.21 C ATOM 1283 CG PRO A 77 11.156 7.050 1.134 1.00 0.24 C ATOM 1284 CD PRO A 77 11.303 5.601 0.686 1.00 0.27 C ATOM 0 HA PRO A 77 11.211 5.123 3.858 1.00 0.20 H new ATOM 0 HB2 PRO A 77 10.959 7.779 3.178 1.00 0.21 H new ATOM 0 HB3 PRO A 77 12.461 6.930 2.874 1.00 0.21 H new ATOM 0 HG2 PRO A 77 10.168 7.450 0.907 1.00 0.24 H new ATOM 0 HG3 PRO A 77 11.883 7.703 0.651 1.00 0.24 H new ATOM 0 HD2 PRO A 77 10.725 5.405 -0.217 1.00 0.27 H new ATOM 0 HD3 PRO A 77 12.341 5.360 0.458 1.00 0.27 H new ATOM 1292 N ASN A 78 8.326 5.655 2.588 1.00 0.28 N ATOM 1293 CA ASN A 78 6.925 5.932 2.863 1.00 0.31 C ATOM 1294 C ASN A 78 6.339 4.931 3.863 1.00 0.23 C ATOM 1295 O ASN A 78 5.280 5.187 4.436 1.00 0.26 O ATOM 1296 CB ASN A 78 6.115 5.893 1.561 1.00 0.48 C ATOM 1297 CG ASN A 78 6.882 6.435 0.360 1.00 1.18 C ATOM 1298 OD1 ASN A 78 7.254 7.599 0.302 1.00 1.15 O ATOM 1299 ND2 ASN A 78 7.127 5.572 -0.616 1.00 2.83 N ATOM 0 H ASN A 78 8.497 5.299 1.647 1.00 0.28 H new ATOM 0 HA ASN A 78 6.865 6.927 3.304 1.00 0.31 H new ATOM 0 HB2 ASN A 78 5.815 4.865 1.358 1.00 0.48 H new ATOM 0 HB3 ASN A 78 5.201 6.472 1.692 1.00 0.48 H new ATOM 0 HD21 ASN A 78 7.639 5.872 -1.445 1.00 2.83 H new ATOM 0 HD22 ASN A 78 6.803 4.608 -0.537 1.00 2.83 H new ATOM 1306 N ILE A 79 6.991 3.776 4.033 1.00 0.20 N ATOM 1307 CA ILE A 79 6.585 2.697 4.917 1.00 0.18 C ATOM 1308 C ILE A 79 7.771 2.426 5.853 1.00 0.20 C ATOM 1309 O ILE A 79 8.889 2.866 5.587 1.00 0.27 O ATOM 1310 CB ILE A 79 6.167 1.474 4.066 1.00 0.22 C ATOM 1311 CG1 ILE A 79 5.225 1.894 2.921 1.00 0.23 C ATOM 1312 CG2 ILE A 79 5.477 0.374 4.899 1.00 0.27 C ATOM 1313 CD1 ILE A 79 5.907 1.862 1.547 1.00 0.40 C ATOM 0 H ILE A 79 7.854 3.566 3.532 1.00 0.20 H new ATOM 0 HA ILE A 79 5.716 2.946 5.526 1.00 0.18 H new ATOM 0 HB ILE A 79 7.091 1.064 3.659 1.00 0.22 H new ATOM 0 HG12 ILE A 79 4.360 1.231 2.907 1.00 0.23 H new ATOM 0 HG13 ILE A 79 4.853 2.900 3.113 1.00 0.23 H new ATOM 0 HG21 ILE A 79 5.206 -0.458 4.249 1.00 0.27 H new ATOM 0 HG22 ILE A 79 6.159 0.023 5.674 1.00 0.27 H new ATOM 0 HG23 ILE A 79 4.578 0.779 5.363 1.00 0.27 H new ATOM 0 HD11 ILE A 79 5.195 2.167 0.780 1.00 0.40 H new ATOM 0 HD12 ILE A 79 6.756 2.545 1.546 1.00 0.40 H new ATOM 0 HD13 ILE A 79 6.255 0.851 1.337 1.00 0.40 H new ATOM 1325 N ASP A 80 7.532 1.737 6.963 1.00 0.20 N ATOM 1326 CA ASP A 80 8.522 1.378 7.962 1.00 0.22 C ATOM 1327 C ASP A 80 8.880 -0.091 7.788 1.00 0.27 C ATOM 1328 O ASP A 80 8.106 -0.845 7.206 1.00 0.35 O ATOM 1329 CB ASP A 80 7.905 1.563 9.347 1.00 0.29 C ATOM 1330 CG ASP A 80 8.871 1.117 10.435 1.00 0.38 C ATOM 1331 OD1 ASP A 80 10.057 1.501 10.333 1.00 1.36 O ATOM 1332 OD2 ASP A 80 8.439 0.301 11.279 1.00 1.15 O ATOM 0 H ASP A 80 6.599 1.400 7.198 1.00 0.20 H new ATOM 0 HA ASP A 80 9.410 2.001 7.853 1.00 0.22 H new ATOM 0 HB2 ASP A 80 7.642 2.610 9.496 1.00 0.29 H new ATOM 0 HB3 ASP A 80 6.981 0.989 9.418 1.00 0.29 H new ATOM 1337 N GLU A 81 10.009 -0.529 8.341 1.00 0.30 N ATOM 1338 CA GLU A 81 10.413 -1.932 8.297 1.00 0.42 C ATOM 1339 C GLU A 81 9.347 -2.872 8.860 1.00 0.46 C ATOM 1340 O GLU A 81 9.168 -3.982 8.363 1.00 0.59 O ATOM 1341 CB GLU A 81 11.740 -2.136 9.039 1.00 0.46 C ATOM 1342 CG GLU A 81 12.870 -2.433 8.045 1.00 1.12 C ATOM 1343 CD GLU A 81 12.656 -3.791 7.354 1.00 3.20 C ATOM 1344 OE1 GLU A 81 11.973 -3.806 6.304 1.00 4.61 O ATOM 1345 OE2 GLU A 81 13.144 -4.811 7.896 1.00 3.99 O ATOM 0 H GLU A 81 10.668 0.077 8.831 1.00 0.30 H new ATOM 0 HA GLU A 81 10.543 -2.186 7.245 1.00 0.42 H new ATOM 0 HB2 GLU A 81 11.981 -1.244 9.617 1.00 0.46 H new ATOM 0 HB3 GLU A 81 11.645 -2.959 9.747 1.00 0.46 H new ATOM 0 HG2 GLU A 81 12.916 -1.643 7.295 1.00 1.12 H new ATOM 0 HG3 GLU A 81 13.827 -2.434 8.567 1.00 1.12 H new ATOM 1352 N LYS A 82 8.588 -2.446 9.872 1.00 0.42 N ATOM 1353 CA LYS A 82 7.472 -3.249 10.375 1.00 0.50 C ATOM 1354 C LYS A 82 6.252 -3.196 9.444 1.00 0.44 C ATOM 1355 O LYS A 82 5.137 -3.478 9.873 1.00 0.46 O ATOM 1356 CB LYS A 82 7.142 -2.777 11.802 1.00 0.56 C ATOM 1357 CG LYS A 82 7.806 -3.664 12.860 1.00 0.94 C ATOM 1358 CD LYS A 82 8.512 -2.826 13.925 1.00 1.15 C ATOM 1359 CE LYS A 82 9.014 -3.777 15.014 1.00 1.48 C ATOM 1360 NZ LYS A 82 10.159 -3.213 15.759 1.00 2.34 N ATOM 0 H LYS A 82 8.724 -1.558 10.355 1.00 0.42 H new ATOM 0 HA LYS A 82 7.763 -4.299 10.402 1.00 0.50 H new ATOM 0 HB2 LYS A 82 7.474 -1.747 11.930 1.00 0.56 H new ATOM 0 HB3 LYS A 82 6.062 -2.784 11.947 1.00 0.56 H new ATOM 0 HG2 LYS A 82 7.054 -4.296 13.332 1.00 0.94 H new ATOM 0 HG3 LYS A 82 8.525 -4.328 12.381 1.00 0.94 H new ATOM 0 HD2 LYS A 82 9.344 -2.274 13.487 1.00 1.15 H new ATOM 0 HD3 LYS A 82 7.828 -2.090 14.347 1.00 1.15 H new ATOM 0 HE2 LYS A 82 8.202 -3.994 15.708 1.00 1.48 H new ATOM 0 HE3 LYS A 82 9.308 -4.724 14.561 1.00 1.48 H new ATOM 0 HZ1 LYS A 82 10.467 -3.889 16.486 1.00 2.34 H new ATOM 0 HZ2 LYS A 82 10.944 -3.030 15.102 1.00 2.34 H new ATOM 0 HZ3 LYS A 82 9.873 -2.322 16.214 1.00 2.34 H new ATOM 1374 N GLY A 83 6.421 -2.805 8.182 1.00 0.38 N ATOM 1375 CA GLY A 83 5.359 -2.659 7.209 1.00 0.33 C ATOM 1376 C GLY A 83 4.404 -1.509 7.522 1.00 0.27 C ATOM 1377 O GLY A 83 3.487 -1.271 6.738 1.00 0.23 O ATOM 0 H GLY A 83 7.339 -2.574 7.803 1.00 0.38 H new ATOM 0 HA2 GLY A 83 5.798 -2.499 6.224 1.00 0.33 H new ATOM 0 HA3 GLY A 83 4.792 -3.589 7.158 1.00 0.33 H new ATOM 1381 N GLN A 84 4.572 -0.808 8.645 1.00 0.26 N ATOM 1382 CA GLN A 84 3.646 0.225 9.070 1.00 0.24 C ATOM 1383 C GLN A 84 3.736 1.426 8.143 1.00 0.21 C ATOM 1384 O GLN A 84 4.796 1.730 7.615 1.00 0.30 O ATOM 1385 CB GLN A 84 3.980 0.668 10.493 1.00 0.29 C ATOM 1386 CG GLN A 84 3.559 -0.403 11.500 1.00 0.58 C ATOM 1387 CD GLN A 84 3.693 0.107 12.928 1.00 0.92 C ATOM 1388 OE1 GLN A 84 2.693 0.308 13.612 1.00 1.27 O ATOM 1389 NE2 GLN A 84 4.917 0.341 13.389 1.00 1.36 N ATOM 0 H GLN A 84 5.357 -0.946 9.281 1.00 0.26 H new ATOM 0 HA GLN A 84 2.635 -0.181 9.038 1.00 0.24 H new ATOM 0 HB2 GLN A 84 5.050 0.857 10.580 1.00 0.29 H new ATOM 0 HB3 GLN A 84 3.472 1.606 10.717 1.00 0.29 H new ATOM 0 HG2 GLN A 84 2.527 -0.699 11.311 1.00 0.58 H new ATOM 0 HG3 GLN A 84 4.175 -1.293 11.369 1.00 0.58 H new ATOM 0 HE21 GLN A 84 5.728 0.164 12.796 1.00 1.36 H new ATOM 0 HE22 GLN A 84 5.046 0.698 14.336 1.00 1.36 H new ATOM 1398 N VAL A 85 2.636 2.143 7.975 1.00 0.18 N ATOM 1399 CA VAL A 85 2.564 3.244 7.029 1.00 0.18 C ATOM 1400 C VAL A 85 2.228 4.545 7.758 1.00 0.24 C ATOM 1401 O VAL A 85 1.638 4.509 8.836 1.00 0.30 O ATOM 1402 CB VAL A 85 1.510 2.892 5.980 1.00 0.18 C ATOM 1403 CG1 VAL A 85 1.906 1.665 5.158 1.00 0.18 C ATOM 1404 CG2 VAL A 85 0.155 2.653 6.640 1.00 0.21 C ATOM 0 H VAL A 85 1.771 1.978 8.489 1.00 0.18 H new ATOM 0 HA VAL A 85 3.524 3.397 6.536 1.00 0.18 H new ATOM 0 HB VAL A 85 1.439 3.742 5.302 1.00 0.18 H new ATOM 0 HG11 VAL A 85 1.128 1.451 4.425 1.00 0.18 H new ATOM 0 HG12 VAL A 85 2.846 1.860 4.643 1.00 0.18 H new ATOM 0 HG13 VAL A 85 2.026 0.807 5.820 1.00 0.18 H new ATOM 0 HG21 VAL A 85 -0.582 2.404 5.877 1.00 0.21 H new ATOM 0 HG22 VAL A 85 0.236 1.829 7.349 1.00 0.21 H new ATOM 0 HG23 VAL A 85 -0.158 3.555 7.166 1.00 0.21 H new ATOM 1414 N CYS A 86 2.581 5.695 7.177 1.00 0.26 N ATOM 1415 CA CYS A 86 2.216 6.991 7.732 1.00 0.32 C ATOM 1416 C CYS A 86 1.892 7.958 6.592 1.00 0.26 C ATOM 1417 O CYS A 86 2.710 8.816 6.273 1.00 0.32 O ATOM 1418 CB CYS A 86 3.365 7.521 8.592 1.00 0.51 C ATOM 1419 SG CYS A 86 2.831 8.981 9.521 1.00 0.87 S ATOM 0 H CYS A 86 3.124 5.749 6.315 1.00 0.26 H new ATOM 0 HA CYS A 86 1.333 6.892 8.363 1.00 0.32 H new ATOM 0 HB2 CYS A 86 3.701 6.746 9.281 1.00 0.51 H new ATOM 0 HB3 CYS A 86 4.215 7.775 7.959 1.00 0.51 H new ATOM 0 HG CYS A 86 3.817 9.418 10.247 1.00 0.87 H new ATOM 1425 N LEU A 87 0.720 7.830 5.964 1.00 0.20 N ATOM 1426 CA LEU A 87 0.327 8.687 4.851 1.00 0.17 C ATOM 1427 C LEU A 87 -0.887 9.511 5.263 1.00 0.17 C ATOM 1428 O LEU A 87 -1.712 9.034 6.042 1.00 0.17 O ATOM 1429 CB LEU A 87 -0.024 7.855 3.609 1.00 0.17 C ATOM 1430 CG LEU A 87 1.110 7.007 3.020 1.00 0.18 C ATOM 1431 CD1 LEU A 87 2.430 7.770 2.913 1.00 0.20 C ATOM 1432 CD2 LEU A 87 1.327 5.702 3.782 1.00 0.19 C ATOM 0 H LEU A 87 0.021 7.130 6.215 1.00 0.20 H new ATOM 0 HA LEU A 87 1.164 9.339 4.602 1.00 0.17 H new ATOM 0 HB2 LEU A 87 -0.851 7.192 3.863 1.00 0.17 H new ATOM 0 HB3 LEU A 87 -0.384 8.531 2.834 1.00 0.17 H new ATOM 0 HG LEU A 87 0.779 6.762 2.011 1.00 0.18 H new ATOM 0 HD11 LEU A 87 3.194 7.118 2.490 1.00 0.20 H new ATOM 0 HD12 LEU A 87 2.297 8.639 2.269 1.00 0.20 H new ATOM 0 HD13 LEU A 87 2.742 8.098 3.905 1.00 0.20 H new ATOM 0 HD21 LEU A 87 2.141 5.143 3.321 1.00 0.19 H new ATOM 0 HD22 LEU A 87 1.580 5.924 4.819 1.00 0.19 H new ATOM 0 HD23 LEU A 87 0.415 5.106 3.751 1.00 0.19 H new ATOM 1444 N PRO A 88 -1.053 10.720 4.707 1.00 0.18 N ATOM 1445 CA PRO A 88 -2.122 11.626 5.099 1.00 0.19 C ATOM 1446 C PRO A 88 -3.519 11.055 4.836 1.00 0.23 C ATOM 1447 O PRO A 88 -4.467 11.426 5.521 1.00 0.39 O ATOM 1448 CB PRO A 88 -1.864 12.937 4.356 1.00 0.21 C ATOM 1449 CG PRO A 88 -0.969 12.532 3.186 1.00 0.21 C ATOM 1450 CD PRO A 88 -0.170 11.358 3.747 1.00 0.19 C ATOM 0 HA PRO A 88 -2.112 11.786 6.177 1.00 0.19 H new ATOM 0 HB2 PRO A 88 -2.794 13.388 4.009 1.00 0.21 H new ATOM 0 HB3 PRO A 88 -1.374 13.669 4.998 1.00 0.21 H new ATOM 0 HG2 PRO A 88 -1.554 12.241 2.314 1.00 0.21 H new ATOM 0 HG3 PRO A 88 -0.319 13.350 2.875 1.00 0.21 H new ATOM 0 HD2 PRO A 88 0.119 10.665 2.957 1.00 0.19 H new ATOM 0 HD3 PRO A 88 0.749 11.699 4.224 1.00 0.19 H new ATOM 1458 N VAL A 89 -3.656 10.128 3.887 1.00 0.17 N ATOM 1459 CA VAL A 89 -4.922 9.462 3.577 1.00 0.16 C ATOM 1460 C VAL A 89 -5.519 8.763 4.805 1.00 0.15 C ATOM 1461 O VAL A 89 -6.732 8.591 4.887 1.00 0.17 O ATOM 1462 CB VAL A 89 -4.741 8.490 2.392 1.00 0.15 C ATOM 1463 CG1 VAL A 89 -4.490 9.288 1.108 1.00 0.16 C ATOM 1464 CG2 VAL A 89 -3.565 7.527 2.602 1.00 0.15 C ATOM 0 H VAL A 89 -2.880 9.814 3.304 1.00 0.17 H new ATOM 0 HA VAL A 89 -5.641 10.226 3.281 1.00 0.16 H new ATOM 0 HB VAL A 89 -5.656 7.902 2.317 1.00 0.15 H new ATOM 0 HG11 VAL A 89 -4.362 8.601 0.272 1.00 0.16 H new ATOM 0 HG12 VAL A 89 -5.340 9.942 0.914 1.00 0.16 H new ATOM 0 HG13 VAL A 89 -3.589 9.890 1.224 1.00 0.16 H new ATOM 0 HG21 VAL A 89 -3.479 6.864 1.741 1.00 0.15 H new ATOM 0 HG22 VAL A 89 -2.643 8.098 2.714 1.00 0.15 H new ATOM 0 HG23 VAL A 89 -3.736 6.934 3.501 1.00 0.15 H new ATOM 1474 N ILE A 90 -4.676 8.339 5.751 1.00 0.15 N ATOM 1475 CA ILE A 90 -5.086 7.650 6.972 1.00 0.15 C ATOM 1476 C ILE A 90 -4.450 8.293 8.199 1.00 0.18 C ATOM 1477 O ILE A 90 -4.317 7.670 9.249 1.00 0.21 O ATOM 1478 CB ILE A 90 -4.726 6.166 6.858 1.00 0.16 C ATOM 1479 CG1 ILE A 90 -3.209 5.990 6.667 1.00 0.18 C ATOM 1480 CG2 ILE A 90 -5.516 5.584 5.681 1.00 0.17 C ATOM 1481 CD1 ILE A 90 -2.831 4.530 6.468 1.00 0.22 C ATOM 0 H ILE A 90 -3.667 8.470 5.685 1.00 0.15 H new ATOM 0 HA ILE A 90 -6.166 7.737 7.094 1.00 0.15 H new ATOM 0 HB ILE A 90 -4.989 5.635 7.773 1.00 0.16 H new ATOM 0 HG12 ILE A 90 -2.881 6.571 5.805 1.00 0.18 H new ATOM 0 HG13 ILE A 90 -2.685 6.386 7.537 1.00 0.18 H new ATOM 0 HG21 ILE A 90 -5.281 4.525 5.573 1.00 0.17 H new ATOM 0 HG22 ILE A 90 -6.584 5.702 5.866 1.00 0.17 H new ATOM 0 HG23 ILE A 90 -5.246 6.111 4.766 1.00 0.17 H new ATOM 0 HD11 ILE A 90 -1.752 4.448 6.337 1.00 0.22 H new ATOM 0 HD12 ILE A 90 -3.135 3.953 7.341 1.00 0.22 H new ATOM 0 HD13 ILE A 90 -3.335 4.141 5.583 1.00 0.22 H new ATOM 1493 N SER A 91 -4.035 9.547 8.062 1.00 0.23 N ATOM 1494 CA SER A 91 -3.488 10.312 9.160 1.00 0.31 C ATOM 1495 C SER A 91 -4.589 10.532 10.198 1.00 0.27 C ATOM 1496 O SER A 91 -5.772 10.510 9.868 1.00 0.48 O ATOM 1497 CB SER A 91 -2.937 11.602 8.553 1.00 0.49 C ATOM 1498 OG SER A 91 -3.061 12.722 9.391 1.00 1.06 O ATOM 0 H SER A 91 -4.072 10.058 7.180 1.00 0.23 H new ATOM 0 HA SER A 91 -2.677 9.808 9.685 1.00 0.31 H new ATOM 0 HB2 SER A 91 -1.884 11.457 8.310 1.00 0.49 H new ATOM 0 HB3 SER A 91 -3.456 11.802 7.616 1.00 0.49 H new ATOM 0 HG SER A 91 -2.509 12.595 10.191 1.00 1.06 H new ATOM 1504 N ALA A 92 -4.214 10.753 11.460 1.00 0.31 N ATOM 1505 CA ALA A 92 -5.184 11.075 12.494 1.00 0.33 C ATOM 1506 C ALA A 92 -5.708 12.491 12.260 1.00 0.37 C ATOM 1507 O ALA A 92 -6.912 12.715 12.186 1.00 0.38 O ATOM 1508 CB ALA A 92 -4.539 10.936 13.875 1.00 0.41 C ATOM 0 H ALA A 92 -3.248 10.714 11.784 1.00 0.31 H new ATOM 0 HA ALA A 92 -6.025 10.382 12.451 1.00 0.33 H new ATOM 0 HB1 ALA A 92 -5.272 11.179 14.645 1.00 0.41 H new ATOM 0 HB2 ALA A 92 -4.193 9.912 14.014 1.00 0.41 H new ATOM 0 HB3 ALA A 92 -3.693 11.618 13.952 1.00 0.41 H new ATOM 1514 N GLU A 93 -4.797 13.455 12.120 1.00 0.47 N ATOM 1515 CA GLU A 93 -5.141 14.844 11.854 1.00 0.55 C ATOM 1516 C GLU A 93 -5.822 15.022 10.492 1.00 0.50 C ATOM 1517 O GLU A 93 -6.507 16.019 10.276 1.00 0.65 O ATOM 1518 CB GLU A 93 -3.923 15.771 12.031 1.00 0.79 C ATOM 1519 CG GLU A 93 -2.760 15.556 11.050 1.00 2.00 C ATOM 1520 CD GLU A 93 -1.672 14.615 11.587 1.00 2.99 C ATOM 1521 OE1 GLU A 93 -1.972 13.409 11.762 1.00 4.28 O ATOM 1522 OE2 GLU A 93 -0.540 15.100 11.779 1.00 3.69 O ATOM 0 H GLU A 93 -3.793 13.288 12.189 1.00 0.47 H new ATOM 0 HA GLU A 93 -5.877 15.143 12.600 1.00 0.55 H new ATOM 0 HB2 GLU A 93 -4.262 16.803 11.940 1.00 0.79 H new ATOM 0 HB3 GLU A 93 -3.543 15.648 13.045 1.00 0.79 H new ATOM 0 HG2 GLU A 93 -3.152 15.150 10.117 1.00 2.00 H new ATOM 0 HG3 GLU A 93 -2.311 16.521 10.814 1.00 2.00 H new ATOM 1529 N ASN A 94 -5.686 14.055 9.579 1.00 0.41 N ATOM 1530 CA ASN A 94 -6.424 14.039 8.320 1.00 0.42 C ATOM 1531 C ASN A 94 -7.276 12.778 8.217 1.00 0.37 C ATOM 1532 O ASN A 94 -7.506 12.245 7.134 1.00 0.47 O ATOM 1533 CB ASN A 94 -5.468 14.214 7.137 1.00 0.52 C ATOM 1534 CG ASN A 94 -5.262 15.688 6.847 1.00 1.13 C ATOM 1535 OD1 ASN A 94 -5.964 16.257 6.012 1.00 2.12 O ATOM 1536 ND2 ASN A 94 -4.340 16.329 7.548 1.00 0.97 N ATOM 0 H ASN A 94 -5.058 13.260 9.697 1.00 0.41 H new ATOM 0 HA ASN A 94 -7.112 14.884 8.293 1.00 0.42 H new ATOM 0 HB2 ASN A 94 -4.511 13.742 7.360 1.00 0.52 H new ATOM 0 HB3 ASN A 94 -5.872 13.715 6.256 1.00 0.52 H new ATOM 0 HD21 ASN A 94 -4.193 17.328 7.404 1.00 0.97 H new ATOM 0 HD22 ASN A 94 -3.777 15.824 8.232 1.00 0.97 H new ATOM 1543 N TRP A 95 -7.842 12.351 9.341 1.00 0.32 N ATOM 1544 CA TRP A 95 -8.873 11.333 9.334 1.00 0.29 C ATOM 1545 C TRP A 95 -10.066 11.889 8.560 1.00 0.30 C ATOM 1546 O TRP A 95 -10.768 12.780 9.036 1.00 0.40 O ATOM 1547 CB TRP A 95 -9.259 10.967 10.771 1.00 0.36 C ATOM 1548 CG TRP A 95 -10.627 10.373 10.938 1.00 0.39 C ATOM 1549 CD1 TRP A 95 -11.164 9.357 10.222 1.00 0.36 C ATOM 1550 CD2 TRP A 95 -11.689 10.850 11.815 1.00 0.59 C ATOM 1551 NE1 TRP A 95 -12.490 9.195 10.575 1.00 0.54 N ATOM 1552 CE2 TRP A 95 -12.880 10.128 11.518 1.00 0.69 C ATOM 1553 CE3 TRP A 95 -11.766 11.845 12.811 1.00 0.74 C ATOM 1554 CZ2 TRP A 95 -14.100 10.415 12.150 1.00 0.93 C ATOM 1555 CZ3 TRP A 95 -12.972 12.112 13.482 1.00 0.95 C ATOM 1556 CH2 TRP A 95 -14.140 11.404 13.147 1.00 1.05 C ATOM 0 H TRP A 95 -7.599 12.699 10.269 1.00 0.32 H new ATOM 0 HA TRP A 95 -8.519 10.421 8.854 1.00 0.29 H new ATOM 0 HB2 TRP A 95 -8.525 10.260 11.158 1.00 0.36 H new ATOM 0 HB3 TRP A 95 -9.193 11.864 11.387 1.00 0.36 H new ATOM 0 HD1 TRP A 95 -10.637 8.765 9.488 1.00 0.36 H new ATOM 0 HE1 TRP A 95 -13.104 8.478 10.189 1.00 0.54 H new ATOM 0 HE3 TRP A 95 -10.882 12.412 13.063 1.00 0.74 H new ATOM 0 HZ2 TRP A 95 -14.997 9.882 11.873 1.00 0.93 H new ATOM 0 HZ3 TRP A 95 -13.002 12.863 14.257 1.00 0.95 H new ATOM 0 HH2 TRP A 95 -15.068 11.621 13.656 1.00 1.05 H new ATOM 1567 N LYS A 96 -10.299 11.377 7.352 1.00 0.35 N ATOM 1568 CA LYS A 96 -11.437 11.766 6.535 1.00 0.45 C ATOM 1569 C LYS A 96 -12.336 10.541 6.437 1.00 0.39 C ATOM 1570 O LYS A 96 -11.944 9.574 5.795 1.00 0.36 O ATOM 1571 CB LYS A 96 -10.957 12.228 5.144 1.00 0.58 C ATOM 1572 CG LYS A 96 -10.780 13.752 5.038 1.00 0.75 C ATOM 1573 CD LYS A 96 -9.718 14.309 5.992 1.00 0.95 C ATOM 1574 CE LYS A 96 -9.640 15.838 5.930 1.00 1.32 C ATOM 1575 NZ LYS A 96 -8.642 16.313 4.949 1.00 2.20 N ATOM 0 H LYS A 96 -9.698 10.678 6.915 1.00 0.35 H new ATOM 0 HA LYS A 96 -11.982 12.602 6.973 1.00 0.45 H new ATOM 0 HB2 LYS A 96 -10.009 11.742 4.914 1.00 0.58 H new ATOM 0 HB3 LYS A 96 -11.674 11.899 4.392 1.00 0.58 H new ATOM 0 HG2 LYS A 96 -10.508 14.008 4.014 1.00 0.75 H new ATOM 0 HG3 LYS A 96 -11.734 14.236 5.245 1.00 0.75 H new ATOM 0 HD2 LYS A 96 -9.947 13.998 7.011 1.00 0.95 H new ATOM 0 HD3 LYS A 96 -8.746 13.885 5.740 1.00 0.95 H new ATOM 0 HE2 LYS A 96 -10.620 16.239 5.670 1.00 1.32 H new ATOM 0 HE3 LYS A 96 -9.388 16.226 6.917 1.00 1.32 H new ATOM 0 HZ1 LYS A 96 -8.859 17.294 4.680 1.00 2.20 H new ATOM 0 HZ2 LYS A 96 -7.693 16.273 5.372 1.00 2.20 H new ATOM 0 HZ3 LYS A 96 -8.670 15.707 4.104 1.00 2.20 H new ATOM 1589 N PRO A 97 -13.547 10.549 7.009 1.00 0.41 N ATOM 1590 CA PRO A 97 -14.453 9.408 6.926 1.00 0.39 C ATOM 1591 C PRO A 97 -14.995 9.211 5.507 1.00 0.43 C ATOM 1592 O PRO A 97 -15.445 8.124 5.148 1.00 0.62 O ATOM 1593 CB PRO A 97 -15.552 9.711 7.944 1.00 0.45 C ATOM 1594 CG PRO A 97 -15.590 11.236 7.992 1.00 0.53 C ATOM 1595 CD PRO A 97 -14.122 11.620 7.802 1.00 0.48 C ATOM 0 HA PRO A 97 -13.953 8.466 7.151 1.00 0.39 H new ATOM 0 HB2 PRO A 97 -16.511 9.296 7.633 1.00 0.45 H new ATOM 0 HB3 PRO A 97 -15.322 9.285 8.921 1.00 0.45 H new ATOM 0 HG2 PRO A 97 -16.221 11.649 7.205 1.00 0.53 H new ATOM 0 HG3 PRO A 97 -15.984 11.601 8.941 1.00 0.53 H new ATOM 0 HD2 PRO A 97 -14.029 12.580 7.294 1.00 0.48 H new ATOM 0 HD3 PRO A 97 -13.613 11.717 8.761 1.00 0.48 H new ATOM 1603 N ALA A 98 -14.936 10.259 4.683 1.00 0.42 N ATOM 1604 CA ALA A 98 -15.246 10.180 3.267 1.00 0.47 C ATOM 1605 C ALA A 98 -14.193 9.383 2.487 1.00 0.44 C ATOM 1606 O ALA A 98 -14.464 8.977 1.359 1.00 0.53 O ATOM 1607 CB ALA A 98 -15.344 11.601 2.717 1.00 0.55 C ATOM 0 H ALA A 98 -14.668 11.194 4.990 1.00 0.42 H new ATOM 0 HA ALA A 98 -16.192 9.653 3.146 1.00 0.47 H new ATOM 0 HB1 ALA A 98 -15.577 11.564 1.653 1.00 0.55 H new ATOM 0 HB2 ALA A 98 -16.132 12.141 3.242 1.00 0.55 H new ATOM 0 HB3 ALA A 98 -14.393 12.114 2.863 1.00 0.55 H new ATOM 1613 N THR A 99 -12.994 9.191 3.046 1.00 0.37 N ATOM 1614 CA THR A 99 -11.952 8.413 2.394 1.00 0.35 C ATOM 1615 C THR A 99 -12.382 6.952 2.307 1.00 0.33 C ATOM 1616 O THR A 99 -13.396 6.554 2.884 1.00 0.47 O ATOM 1617 CB THR A 99 -10.606 8.585 3.123 1.00 0.36 C ATOM 1618 OG1 THR A 99 -9.561 8.451 2.193 1.00 0.43 O ATOM 1619 CG2 THR A 99 -10.336 7.558 4.229 1.00 0.35 C ATOM 0 H THR A 99 -12.726 9.569 3.955 1.00 0.37 H new ATOM 0 HA THR A 99 -11.806 8.779 1.378 1.00 0.35 H new ATOM 0 HB THR A 99 -10.658 9.570 3.588 1.00 0.36 H new ATOM 0 HG1 THR A 99 -9.665 9.121 1.485 1.00 0.43 H new ATOM 0 HG21 THR A 99 -9.366 7.760 4.684 1.00 0.35 H new ATOM 0 HG22 THR A 99 -11.115 7.628 4.989 1.00 0.35 H new ATOM 0 HG23 THR A 99 -10.335 6.555 3.802 1.00 0.35 H new ATOM 1627 N LYS A 100 -11.603 6.142 1.594 1.00 0.39 N ATOM 1628 CA LYS A 100 -11.878 4.728 1.410 1.00 0.33 C ATOM 1629 C LYS A 100 -10.606 4.036 0.968 1.00 0.29 C ATOM 1630 O LYS A 100 -9.570 4.666 0.763 1.00 0.29 O ATOM 1631 CB LYS A 100 -12.955 4.553 0.332 1.00 0.42 C ATOM 1632 CG LYS A 100 -14.351 4.336 0.910 1.00 1.49 C ATOM 1633 CD LYS A 100 -15.265 5.390 0.297 1.00 1.72 C ATOM 1634 CE LYS A 100 -16.720 5.060 0.589 1.00 2.45 C ATOM 1635 NZ LYS A 100 -17.580 5.709 -0.415 1.00 2.85 N ATOM 0 H LYS A 100 -10.754 6.457 1.124 1.00 0.39 H new ATOM 0 HA LYS A 100 -12.231 4.294 2.346 1.00 0.33 H new ATOM 0 HB2 LYS A 100 -12.966 5.435 -0.308 1.00 0.42 H new ATOM 0 HB3 LYS A 100 -12.694 3.704 -0.300 1.00 0.42 H new ATOM 0 HG2 LYS A 100 -14.711 3.334 0.678 1.00 1.49 H new ATOM 0 HG3 LYS A 100 -14.335 4.426 1.996 1.00 1.49 H new ATOM 0 HD2 LYS A 100 -15.020 6.373 0.700 1.00 1.72 H new ATOM 0 HD3 LYS A 100 -15.105 5.438 -0.780 1.00 1.72 H new ATOM 0 HE2 LYS A 100 -16.870 3.981 0.570 1.00 2.45 H new ATOM 0 HE3 LYS A 100 -16.988 5.401 1.589 1.00 2.45 H new ATOM 0 HZ1 LYS A 100 -18.448 6.054 0.042 1.00 2.85 H new ATOM 0 HZ2 LYS A 100 -17.072 6.510 -0.842 1.00 2.85 H new ATOM 0 HZ3 LYS A 100 -17.828 5.022 -1.156 1.00 2.85 H new ATOM 1649 N THR A 101 -10.696 2.723 0.813 1.00 0.27 N ATOM 1650 CA THR A 101 -9.608 1.910 0.326 1.00 0.25 C ATOM 1651 C THR A 101 -9.127 2.326 -1.052 1.00 0.21 C ATOM 1652 O THR A 101 -7.973 2.067 -1.356 1.00 0.25 O ATOM 1653 CB THR A 101 -10.035 0.456 0.248 1.00 0.29 C ATOM 1654 OG1 THR A 101 -11.427 0.405 0.026 1.00 0.45 O ATOM 1655 CG2 THR A 101 -9.713 -0.301 1.530 1.00 0.39 C ATOM 0 H THR A 101 -11.540 2.192 1.027 1.00 0.27 H new ATOM 0 HA THR A 101 -8.790 2.047 1.034 1.00 0.25 H new ATOM 0 HB THR A 101 -9.487 -0.015 -0.568 1.00 0.29 H new ATOM 0 HG1 THR A 101 -11.736 -0.523 0.095 1.00 0.45 H new ATOM 0 HG21 THR A 101 -10.035 -1.338 1.431 1.00 0.39 H new ATOM 0 HG22 THR A 101 -8.638 -0.271 1.710 1.00 0.39 H new ATOM 0 HG23 THR A 101 -10.235 0.163 2.367 1.00 0.39 H new ATOM 1663 N ASP A 102 -9.951 2.943 -1.897 1.00 0.19 N ATOM 1664 CA ASP A 102 -9.462 3.483 -3.160 1.00 0.19 C ATOM 1665 C ASP A 102 -8.383 4.523 -2.868 1.00 0.16 C ATOM 1666 O ASP A 102 -7.301 4.473 -3.445 1.00 0.22 O ATOM 1667 CB ASP A 102 -10.612 4.060 -3.999 1.00 0.25 C ATOM 1668 CG ASP A 102 -11.192 5.322 -3.365 1.00 1.01 C ATOM 1669 OD1 ASP A 102 -11.520 5.219 -2.163 1.00 2.27 O ATOM 1670 OD2 ASP A 102 -11.215 6.382 -4.026 1.00 1.72 O ATOM 0 H ASP A 102 -10.948 3.080 -1.732 1.00 0.19 H new ATOM 0 HA ASP A 102 -9.022 2.683 -3.756 1.00 0.19 H new ATOM 0 HB2 ASP A 102 -10.252 4.289 -5.002 1.00 0.25 H new ATOM 0 HB3 ASP A 102 -11.397 3.311 -4.105 1.00 0.25 H new ATOM 1675 N GLN A 103 -8.648 5.427 -1.924 1.00 0.17 N ATOM 1676 CA GLN A 103 -7.732 6.490 -1.545 1.00 0.16 C ATOM 1677 C GLN A 103 -6.519 5.921 -0.831 1.00 0.16 C ATOM 1678 O GLN A 103 -5.415 6.442 -0.995 1.00 0.20 O ATOM 1679 CB GLN A 103 -8.449 7.553 -0.706 1.00 0.19 C ATOM 1680 CG GLN A 103 -9.750 7.951 -1.416 1.00 0.27 C ATOM 1681 CD GLN A 103 -10.410 9.221 -0.902 1.00 0.43 C ATOM 1682 OE1 GLN A 103 -9.848 9.990 -0.126 1.00 0.92 O ATOM 1683 NE2 GLN A 103 -11.659 9.430 -1.294 1.00 1.49 N ATOM 0 H GLN A 103 -9.521 5.437 -1.396 1.00 0.17 H new ATOM 0 HA GLN A 103 -7.375 6.983 -2.449 1.00 0.16 H new ATOM 0 HB2 GLN A 103 -8.666 7.165 0.289 1.00 0.19 H new ATOM 0 HB3 GLN A 103 -7.809 8.425 -0.575 1.00 0.19 H new ATOM 0 HG2 GLN A 103 -9.541 8.074 -2.479 1.00 0.27 H new ATOM 0 HG3 GLN A 103 -10.460 7.129 -1.324 1.00 0.27 H new ATOM 0 HE21 GLN A 103 -12.107 8.779 -1.939 1.00 1.49 H new ATOM 0 HE22 GLN A 103 -12.172 10.242 -0.951 1.00 1.49 H new ATOM 1692 N VAL A 104 -6.700 4.848 -0.060 1.00 0.14 N ATOM 1693 CA VAL A 104 -5.592 4.252 0.659 1.00 0.14 C ATOM 1694 C VAL A 104 -4.646 3.585 -0.333 1.00 0.14 C ATOM 1695 O VAL A 104 -3.460 3.905 -0.375 1.00 0.14 O ATOM 1696 CB VAL A 104 -6.133 3.281 1.715 1.00 0.16 C ATOM 1697 CG1 VAL A 104 -4.985 2.535 2.368 1.00 0.17 C ATOM 1698 CG2 VAL A 104 -6.866 4.057 2.810 1.00 0.18 C ATOM 0 H VAL A 104 -7.597 4.383 0.077 1.00 0.14 H new ATOM 0 HA VAL A 104 -5.018 5.013 1.188 1.00 0.14 H new ATOM 0 HB VAL A 104 -6.811 2.583 1.223 1.00 0.16 H new ATOM 0 HG11 VAL A 104 -5.377 1.847 3.117 1.00 0.17 H new ATOM 0 HG12 VAL A 104 -4.438 1.973 1.610 1.00 0.17 H new ATOM 0 HG13 VAL A 104 -4.313 3.248 2.846 1.00 0.17 H new ATOM 0 HG21 VAL A 104 -7.247 3.360 3.556 1.00 0.18 H new ATOM 0 HG22 VAL A 104 -6.177 4.756 3.284 1.00 0.18 H new ATOM 0 HG23 VAL A 104 -7.697 4.609 2.371 1.00 0.18 H new ATOM 1708 N ILE A 105 -5.171 2.666 -1.137 1.00 0.14 N ATOM 1709 CA ILE A 105 -4.424 1.867 -2.092 1.00 0.14 C ATOM 1710 C ILE A 105 -3.714 2.790 -3.059 1.00 0.13 C ATOM 1711 O ILE A 105 -2.500 2.680 -3.220 1.00 0.14 O ATOM 1712 CB ILE A 105 -5.357 0.863 -2.797 1.00 0.14 C ATOM 1713 CG1 ILE A 105 -5.628 -0.335 -1.873 1.00 0.16 C ATOM 1714 CG2 ILE A 105 -4.833 0.364 -4.151 1.00 0.13 C ATOM 1715 CD1 ILE A 105 -4.360 -1.079 -1.422 1.00 0.17 C ATOM 0 H ILE A 105 -6.168 2.452 -1.138 1.00 0.14 H new ATOM 0 HA ILE A 105 -3.666 1.274 -1.581 1.00 0.14 H new ATOM 0 HB ILE A 105 -6.279 1.405 -3.008 1.00 0.14 H new ATOM 0 HG12 ILE A 105 -6.165 0.014 -0.991 1.00 0.16 H new ATOM 0 HG13 ILE A 105 -6.284 -1.037 -2.388 1.00 0.16 H new ATOM 0 HG21 ILE A 105 -5.547 -0.338 -4.581 1.00 0.13 H new ATOM 0 HG22 ILE A 105 -4.705 1.210 -4.826 1.00 0.13 H new ATOM 0 HG23 ILE A 105 -3.874 -0.135 -4.009 1.00 0.13 H new ATOM 0 HD11 ILE A 105 -4.637 -1.910 -0.773 1.00 0.17 H new ATOM 0 HD12 ILE A 105 -3.832 -1.461 -2.296 1.00 0.17 H new ATOM 0 HD13 ILE A 105 -3.711 -0.394 -0.877 1.00 0.17 H new ATOM 1727 N GLN A 106 -4.453 3.711 -3.681 1.00 0.14 N ATOM 1728 CA GLN A 106 -3.838 4.660 -4.593 1.00 0.15 C ATOM 1729 C GLN A 106 -2.739 5.443 -3.884 1.00 0.15 C ATOM 1730 O GLN A 106 -1.783 5.823 -4.539 1.00 0.18 O ATOM 1731 CB GLN A 106 -4.870 5.557 -5.297 1.00 0.22 C ATOM 1732 CG GLN A 106 -5.439 6.681 -4.423 1.00 0.55 C ATOM 1733 CD GLN A 106 -4.531 7.904 -4.316 1.00 1.18 C ATOM 1734 OE1 GLN A 106 -4.142 8.494 -5.315 1.00 1.84 O ATOM 1735 NE2 GLN A 106 -4.183 8.312 -3.102 1.00 2.07 N ATOM 0 H GLN A 106 -5.461 3.815 -3.569 1.00 0.14 H new ATOM 0 HA GLN A 106 -3.365 4.098 -5.398 1.00 0.15 H new ATOM 0 HB2 GLN A 106 -4.406 5.999 -6.179 1.00 0.22 H new ATOM 0 HB3 GLN A 106 -5.693 4.935 -5.648 1.00 0.22 H new ATOM 0 HG2 GLN A 106 -6.402 6.991 -4.829 1.00 0.55 H new ATOM 0 HG3 GLN A 106 -5.625 6.291 -3.422 1.00 0.55 H new ATOM 0 HE21 GLN A 106 -4.516 7.809 -2.280 1.00 2.07 H new ATOM 0 HE22 GLN A 106 -3.582 9.129 -2.991 1.00 2.07 H new ATOM 1744 N SER A 107 -2.826 5.666 -2.568 1.00 0.14 N ATOM 1745 CA SER A 107 -1.745 6.274 -1.814 1.00 0.14 C ATOM 1746 C SER A 107 -0.528 5.365 -1.807 1.00 0.12 C ATOM 1747 O SER A 107 0.554 5.845 -2.123 1.00 0.16 O ATOM 1748 CB SER A 107 -2.144 6.593 -0.373 1.00 0.15 C ATOM 1749 OG SER A 107 -1.489 7.769 0.062 1.00 0.36 O ATOM 0 H SER A 107 -3.644 5.429 -2.007 1.00 0.14 H new ATOM 0 HA SER A 107 -1.507 7.214 -2.311 1.00 0.14 H new ATOM 0 HB2 SER A 107 -3.224 6.723 -0.306 1.00 0.15 H new ATOM 0 HB3 SER A 107 -1.882 5.759 0.278 1.00 0.15 H new ATOM 0 HG SER A 107 -1.343 7.723 1.030 1.00 0.36 H new ATOM 1755 N LEU A 108 -0.646 4.088 -1.419 1.00 0.11 N ATOM 1756 CA LEU A 108 0.546 3.249 -1.384 1.00 0.11 C ATOM 1757 C LEU A 108 1.188 3.241 -2.748 1.00 0.13 C ATOM 1758 O LEU A 108 2.387 3.413 -2.837 1.00 0.15 O ATOM 1759 CB LEU A 108 0.299 1.786 -1.019 1.00 0.13 C ATOM 1760 CG LEU A 108 -0.082 1.483 0.428 1.00 0.15 C ATOM 1761 CD1 LEU A 108 0.511 2.480 1.415 1.00 0.14 C ATOM 1762 CD2 LEU A 108 -1.588 1.352 0.584 1.00 0.22 C ATOM 0 H LEU A 108 -1.515 3.634 -1.138 1.00 0.11 H new ATOM 0 HA LEU A 108 1.171 3.686 -0.605 1.00 0.11 H new ATOM 0 HB2 LEU A 108 -0.494 1.406 -1.664 1.00 0.13 H new ATOM 0 HB3 LEU A 108 1.201 1.222 -1.256 1.00 0.13 H new ATOM 0 HG LEU A 108 0.361 0.518 0.676 1.00 0.15 H new ATOM 0 HD11 LEU A 108 0.207 2.215 2.427 1.00 0.14 H new ATOM 0 HD12 LEU A 108 1.599 2.458 1.346 1.00 0.14 H new ATOM 0 HD13 LEU A 108 0.153 3.482 1.179 1.00 0.14 H new ATOM 0 HD21 LEU A 108 -1.829 1.136 1.625 1.00 0.22 H new ATOM 0 HD22 LEU A 108 -2.067 2.285 0.287 1.00 0.22 H new ATOM 0 HD23 LEU A 108 -1.950 0.541 -0.048 1.00 0.22 H new ATOM 1774 N ILE A 109 0.419 3.033 -3.807 1.00 0.14 N ATOM 1775 CA ILE A 109 0.970 3.014 -5.148 1.00 0.15 C ATOM 1776 C ILE A 109 1.636 4.354 -5.430 1.00 0.17 C ATOM 1777 O ILE A 109 2.765 4.386 -5.893 1.00 0.23 O ATOM 1778 CB ILE A 109 -0.153 2.697 -6.137 1.00 0.16 C ATOM 1779 CG1 ILE A 109 -0.613 1.253 -5.886 1.00 0.15 C ATOM 1780 CG2 ILE A 109 0.308 2.850 -7.592 1.00 0.18 C ATOM 1781 CD1 ILE A 109 -2.098 1.097 -6.201 1.00 0.18 C ATOM 0 H ILE A 109 -0.588 2.875 -3.760 1.00 0.14 H new ATOM 0 HA ILE A 109 1.732 2.242 -5.253 1.00 0.15 H new ATOM 0 HB ILE A 109 -0.971 3.401 -5.983 1.00 0.16 H new ATOM 0 HG12 ILE A 109 -0.031 0.568 -6.503 1.00 0.15 H new ATOM 0 HG13 ILE A 109 -0.426 0.982 -4.847 1.00 0.15 H new ATOM 0 HG21 ILE A 109 -0.519 2.616 -8.262 1.00 0.18 H new ATOM 0 HG22 ILE A 109 0.635 3.875 -7.764 1.00 0.18 H new ATOM 0 HG23 ILE A 109 1.136 2.168 -7.785 1.00 0.18 H new ATOM 0 HD11 ILE A 109 -2.403 0.067 -6.016 1.00 0.18 H new ATOM 0 HD12 ILE A 109 -2.677 1.766 -5.565 1.00 0.18 H new ATOM 0 HD13 ILE A 109 -2.276 1.346 -7.247 1.00 0.18 H new ATOM 1793 N ALA A 110 0.949 5.454 -5.143 1.00 0.17 N ATOM 1794 CA ALA A 110 1.396 6.805 -5.436 1.00 0.20 C ATOM 1795 C ALA A 110 2.739 7.096 -4.780 1.00 0.20 C ATOM 1796 O ALA A 110 3.556 7.783 -5.368 1.00 0.24 O ATOM 1797 CB ALA A 110 0.330 7.812 -4.985 1.00 0.21 C ATOM 0 H ALA A 110 0.038 5.426 -4.686 1.00 0.17 H new ATOM 0 HA ALA A 110 1.536 6.901 -6.513 1.00 0.20 H new ATOM 0 HB1 ALA A 110 0.669 8.824 -5.206 1.00 0.21 H new ATOM 0 HB2 ALA A 110 -0.602 7.617 -5.515 1.00 0.21 H new ATOM 0 HB3 ALA A 110 0.165 7.711 -3.912 1.00 0.21 H new ATOM 1803 N LEU A 111 2.975 6.582 -3.577 1.00 0.18 N ATOM 1804 CA LEU A 111 4.178 6.816 -2.795 1.00 0.20 C ATOM 1805 C LEU A 111 5.284 5.819 -3.147 1.00 0.26 C ATOM 1806 O LEU A 111 6.459 6.157 -3.247 1.00 0.43 O ATOM 1807 CB LEU A 111 3.803 6.698 -1.309 1.00 0.17 C ATOM 1808 CG LEU A 111 3.310 7.985 -0.622 1.00 0.16 C ATOM 1809 CD1 LEU A 111 3.878 9.273 -1.207 1.00 0.31 C ATOM 1810 CD2 LEU A 111 1.786 8.074 -0.611 1.00 0.24 C ATOM 0 H LEU A 111 2.309 5.970 -3.106 1.00 0.18 H new ATOM 0 HA LEU A 111 4.567 7.810 -3.017 1.00 0.20 H new ATOM 0 HB2 LEU A 111 3.026 5.940 -1.212 1.00 0.17 H new ATOM 0 HB3 LEU A 111 4.674 6.333 -0.765 1.00 0.17 H new ATOM 0 HG LEU A 111 3.688 7.901 0.397 1.00 0.16 H new ATOM 0 HD11 LEU A 111 3.477 10.128 -0.662 1.00 0.31 H new ATOM 0 HD12 LEU A 111 4.964 9.264 -1.119 1.00 0.31 H new ATOM 0 HD13 LEU A 111 3.599 9.349 -2.258 1.00 0.31 H new ATOM 0 HD21 LEU A 111 1.479 8.996 -0.118 1.00 0.24 H new ATOM 0 HD22 LEU A 111 1.414 8.069 -1.635 1.00 0.24 H new ATOM 0 HD23 LEU A 111 1.376 7.220 -0.072 1.00 0.24 H new ATOM 1822 N VAL A 112 4.933 4.547 -3.278 1.00 0.24 N ATOM 1823 CA VAL A 112 5.824 3.459 -3.656 1.00 0.24 C ATOM 1824 C VAL A 112 6.376 3.738 -5.062 1.00 0.27 C ATOM 1825 O VAL A 112 7.504 3.356 -5.374 1.00 0.31 O ATOM 1826 CB VAL A 112 5.042 2.133 -3.542 1.00 0.22 C ATOM 1827 CG1 VAL A 112 5.799 0.904 -4.036 1.00 0.24 C ATOM 1828 CG2 VAL A 112 4.701 1.816 -2.078 1.00 0.23 C ATOM 0 H VAL A 112 3.977 4.232 -3.116 1.00 0.24 H new ATOM 0 HA VAL A 112 6.687 3.380 -2.995 1.00 0.24 H new ATOM 0 HB VAL A 112 4.165 2.305 -4.166 1.00 0.22 H new ATOM 0 HG11 VAL A 112 5.173 0.019 -3.918 1.00 0.24 H new ATOM 0 HG12 VAL A 112 6.052 1.031 -5.088 1.00 0.24 H new ATOM 0 HG13 VAL A 112 6.713 0.782 -3.455 1.00 0.24 H new ATOM 0 HG21 VAL A 112 4.150 0.877 -2.028 1.00 0.23 H new ATOM 0 HG22 VAL A 112 5.621 1.728 -1.501 1.00 0.23 H new ATOM 0 HG23 VAL A 112 4.089 2.618 -1.665 1.00 0.23 H new ATOM 1838 N ASN A 113 5.580 4.407 -5.897 1.00 0.29 N ATOM 1839 CA ASN A 113 5.924 4.879 -7.227 1.00 0.33 C ATOM 1840 C ASN A 113 6.708 6.189 -7.104 1.00 0.34 C ATOM 1841 O ASN A 113 7.836 6.274 -7.581 1.00 0.38 O ATOM 1842 CB ASN A 113 4.621 5.022 -8.032 1.00 0.40 C ATOM 1843 CG ASN A 113 4.818 5.174 -9.531 1.00 1.64 C ATOM 1844 OD1 ASN A 113 5.590 5.996 -9.999 1.00 2.80 O ATOM 1845 ND2 ASN A 113 4.125 4.366 -10.327 1.00 2.17 N ATOM 0 H ASN A 113 4.622 4.645 -5.642 1.00 0.29 H new ATOM 0 HA ASN A 113 6.567 4.178 -7.759 1.00 0.33 H new ATOM 0 HB2 ASN A 113 3.997 4.147 -7.847 1.00 0.40 H new ATOM 0 HB3 ASN A 113 4.073 5.888 -7.661 1.00 0.40 H new ATOM 0 HD21 ASN A 113 4.236 4.429 -11.339 1.00 2.17 H new ATOM 0 HD22 ASN A 113 3.483 3.683 -9.926 1.00 2.17 H new ATOM 1852 N ASP A 114 6.140 7.185 -6.417 1.00 0.31 N ATOM 1853 CA ASP A 114 6.722 8.516 -6.253 1.00 0.35 C ATOM 1854 C ASP A 114 6.889 8.844 -4.761 1.00 0.28 C ATOM 1855 O ASP A 114 5.990 9.403 -4.131 1.00 0.29 O ATOM 1856 CB ASP A 114 5.853 9.563 -6.964 1.00 0.49 C ATOM 1857 CG ASP A 114 6.470 10.955 -6.854 1.00 1.00 C ATOM 1858 OD1 ASP A 114 7.719 11.020 -6.863 1.00 0.99 O ATOM 1859 OD2 ASP A 114 5.691 11.933 -6.806 1.00 1.74 O ATOM 0 H ASP A 114 5.240 7.083 -5.949 1.00 0.31 H new ATOM 0 HA ASP A 114 7.711 8.533 -6.710 1.00 0.35 H new ATOM 0 HB2 ASP A 114 5.740 9.294 -8.014 1.00 0.49 H new ATOM 0 HB3 ASP A 114 4.854 9.569 -6.527 1.00 0.49 H new ATOM 1864 N PRO A 115 8.018 8.458 -4.150 1.00 0.29 N ATOM 1865 CA PRO A 115 8.235 8.637 -2.724 1.00 0.28 C ATOM 1866 C PRO A 115 8.513 10.104 -2.409 1.00 0.27 C ATOM 1867 O PRO A 115 9.186 10.787 -3.175 1.00 0.37 O ATOM 1868 CB PRO A 115 9.446 7.760 -2.392 1.00 0.37 C ATOM 1869 CG PRO A 115 10.218 7.701 -3.709 1.00 0.44 C ATOM 1870 CD PRO A 115 9.111 7.726 -4.761 1.00 0.38 C ATOM 0 HA PRO A 115 7.363 8.356 -2.133 1.00 0.28 H new ATOM 0 HB2 PRO A 115 10.048 8.193 -1.593 1.00 0.37 H new ATOM 0 HB3 PRO A 115 9.143 6.767 -2.060 1.00 0.37 H new ATOM 0 HG2 PRO A 115 10.896 8.548 -3.817 1.00 0.44 H new ATOM 0 HG3 PRO A 115 10.823 6.797 -3.782 1.00 0.44 H new ATOM 0 HD2 PRO A 115 9.448 8.214 -5.675 1.00 0.38 H new ATOM 0 HD3 PRO A 115 8.804 6.716 -5.033 1.00 0.38 H new ATOM 1878 N GLN A 116 8.054 10.586 -1.250 1.00 0.25 N ATOM 1879 CA GLN A 116 8.281 11.969 -0.849 1.00 0.31 C ATOM 1880 C GLN A 116 9.415 12.046 0.175 1.00 0.31 C ATOM 1881 O GLN A 116 9.166 11.830 1.357 1.00 0.39 O ATOM 1882 CB GLN A 116 6.990 12.560 -0.265 1.00 0.43 C ATOM 1883 CG GLN A 116 5.879 12.620 -1.320 1.00 1.72 C ATOM 1884 CD GLN A 116 4.660 13.389 -0.815 1.00 1.81 C ATOM 1885 OE1 GLN A 116 4.778 14.353 -0.070 1.00 2.12 O ATOM 1886 NE2 GLN A 116 3.458 12.984 -1.201 1.00 2.64 N ATOM 0 H GLN A 116 7.523 10.035 -0.576 1.00 0.25 H new ATOM 0 HA GLN A 116 8.570 12.550 -1.725 1.00 0.31 H new ATOM 0 HB2 GLN A 116 6.660 11.955 0.580 1.00 0.43 H new ATOM 0 HB3 GLN A 116 7.186 13.562 0.117 1.00 0.43 H new ATOM 0 HG2 GLN A 116 6.261 13.096 -2.223 1.00 1.72 H new ATOM 0 HG3 GLN A 116 5.582 11.608 -1.594 1.00 1.72 H new ATOM 0 HE21 GLN A 116 3.366 12.180 -1.822 1.00 2.64 H new ATOM 0 HE22 GLN A 116 2.626 13.476 -0.877 1.00 2.64 H new ATOM 1895 N PRO A 117 10.652 12.397 -0.216 1.00 0.31 N ATOM 1896 CA PRO A 117 11.765 12.526 0.715 1.00 0.35 C ATOM 1897 C PRO A 117 11.728 13.811 1.549 1.00 0.48 C ATOM 1898 O PRO A 117 12.701 14.103 2.235 1.00 0.72 O ATOM 1899 CB PRO A 117 13.027 12.450 -0.149 1.00 0.40 C ATOM 1900 CG PRO A 117 12.558 13.064 -1.468 1.00 0.43 C ATOM 1901 CD PRO A 117 11.118 12.565 -1.582 1.00 0.35 C ATOM 0 HA PRO A 117 11.724 11.733 1.461 1.00 0.35 H new ATOM 0 HB2 PRO A 117 13.854 13.010 0.289 1.00 0.40 H new ATOM 0 HB3 PRO A 117 13.370 11.423 -0.278 1.00 0.40 H new ATOM 0 HG2 PRO A 117 12.608 14.153 -1.448 1.00 0.43 H new ATOM 0 HG3 PRO A 117 13.168 12.732 -2.308 1.00 0.43 H new ATOM 0 HD2 PRO A 117 10.497 13.280 -2.123 1.00 0.35 H new ATOM 0 HD3 PRO A 117 11.072 11.624 -2.130 1.00 0.35 H new ATOM 1909 N GLU A 118 10.629 14.569 1.529 1.00 0.44 N ATOM 1910 CA GLU A 118 10.445 15.696 2.434 1.00 0.56 C ATOM 1911 C GLU A 118 10.355 15.181 3.870 1.00 0.58 C ATOM 1912 O GLU A 118 11.270 15.372 4.669 1.00 0.95 O ATOM 1913 CB GLU A 118 9.174 16.475 2.051 1.00 0.66 C ATOM 1914 CG GLU A 118 9.505 17.816 1.388 1.00 2.17 C ATOM 1915 CD GLU A 118 8.253 18.672 1.158 1.00 2.39 C ATOM 1916 OE1 GLU A 118 7.319 18.577 1.985 1.00 2.71 O ATOM 1917 OE2 GLU A 118 8.255 19.424 0.157 1.00 3.38 O ATOM 0 H GLU A 118 9.850 14.417 0.889 1.00 0.44 H new ATOM 0 HA GLU A 118 11.295 16.374 2.356 1.00 0.56 H new ATOM 0 HB2 GLU A 118 8.570 15.873 1.372 1.00 0.66 H new ATOM 0 HB3 GLU A 118 8.572 16.650 2.943 1.00 0.66 H new ATOM 0 HG2 GLU A 118 10.209 18.365 2.014 1.00 2.17 H new ATOM 0 HG3 GLU A 118 10.000 17.636 0.434 1.00 2.17 H new ATOM 1924 N HIS A 119 9.239 14.528 4.210 1.00 0.31 N ATOM 1925 CA HIS A 119 8.966 14.110 5.578 1.00 0.26 C ATOM 1926 C HIS A 119 8.265 12.748 5.601 1.00 0.27 C ATOM 1927 O HIS A 119 7.138 12.641 6.081 1.00 0.33 O ATOM 1928 CB HIS A 119 8.124 15.189 6.275 1.00 0.27 C ATOM 1929 CG HIS A 119 8.772 16.552 6.281 1.00 2.07 C ATOM 1930 ND1 HIS A 119 10.001 16.861 6.819 1.00 4.32 N ATOM 1931 CD2 HIS A 119 8.290 17.681 5.675 1.00 2.40 C ATOM 1932 CE1 HIS A 119 10.244 18.155 6.553 1.00 5.56 C ATOM 1933 NE2 HIS A 119 9.226 18.701 5.873 1.00 4.40 N ATOM 0 H HIS A 119 8.507 14.278 3.545 1.00 0.31 H new ATOM 0 HA HIS A 119 9.906 13.995 6.118 1.00 0.26 H new ATOM 0 HB2 HIS A 119 7.156 15.259 5.779 1.00 0.27 H new ATOM 0 HB3 HIS A 119 7.934 14.882 7.303 1.00 0.27 H new ATOM 0 HD2 HIS A 119 7.356 17.768 5.141 1.00 2.40 H new ATOM 0 HE1 HIS A 119 11.138 18.684 6.847 1.00 5.56 H new ATOM 0 HE2 HIS A 119 9.149 19.669 5.561 1.00 4.40 H new ATOM 1941 N PRO A 120 8.899 11.696 5.069 1.00 0.24 N ATOM 1942 CA PRO A 120 8.331 10.359 5.056 1.00 0.24 C ATOM 1943 C PRO A 120 8.625 9.634 6.375 1.00 0.26 C ATOM 1944 O PRO A 120 9.268 10.180 7.269 1.00 0.35 O ATOM 1945 CB PRO A 120 9.024 9.687 3.878 1.00 0.23 C ATOM 1946 CG PRO A 120 10.431 10.269 3.959 1.00 0.24 C ATOM 1947 CD PRO A 120 10.194 11.707 4.412 1.00 0.25 C ATOM 0 HA PRO A 120 7.246 10.352 4.956 1.00 0.24 H new ATOM 0 HB2 PRO A 120 9.026 8.601 3.972 1.00 0.23 H new ATOM 0 HB3 PRO A 120 8.539 9.924 2.931 1.00 0.23 H new ATOM 0 HG2 PRO A 120 11.052 9.722 4.668 1.00 0.24 H new ATOM 0 HG3 PRO A 120 10.938 10.230 2.995 1.00 0.24 H new ATOM 0 HD2 PRO A 120 10.977 12.038 5.094 1.00 0.25 H new ATOM 0 HD3 PRO A 120 10.199 12.392 3.564 1.00 0.25 H new ATOM 1955 N LEU A 121 8.182 8.376 6.483 1.00 0.22 N ATOM 1956 CA LEU A 121 8.329 7.554 7.682 1.00 0.24 C ATOM 1957 C LEU A 121 9.798 7.386 8.051 1.00 0.28 C ATOM 1958 O LEU A 121 10.196 7.594 9.195 1.00 0.39 O ATOM 1959 CB LEU A 121 7.678 6.177 7.455 1.00 0.23 C ATOM 1960 CG LEU A 121 6.535 5.945 8.443 1.00 0.28 C ATOM 1961 CD1 LEU A 121 5.677 4.779 7.965 1.00 0.53 C ATOM 1962 CD2 LEU A 121 7.030 5.662 9.858 1.00 0.57 C ATOM 0 H LEU A 121 7.702 7.895 5.722 1.00 0.22 H new ATOM 0 HA LEU A 121 7.827 8.057 8.509 1.00 0.24 H new ATOM 0 HB2 LEU A 121 7.301 6.112 6.434 1.00 0.23 H new ATOM 0 HB3 LEU A 121 8.427 5.393 7.568 1.00 0.23 H new ATOM 0 HG LEU A 121 5.949 6.863 8.480 1.00 0.28 H new ATOM 0 HD11 LEU A 121 4.862 4.614 8.670 1.00 0.53 H new ATOM 0 HD12 LEU A 121 5.266 5.009 6.982 1.00 0.53 H new ATOM 0 HD13 LEU A 121 6.289 3.879 7.901 1.00 0.53 H new ATOM 0 HD21 LEU A 121 6.176 5.505 10.517 1.00 0.57 H new ATOM 0 HD22 LEU A 121 7.654 4.768 9.853 1.00 0.57 H new ATOM 0 HD23 LEU A 121 7.614 6.510 10.216 1.00 0.57 H new ATOM 1974 N ARG A 122 10.609 6.993 7.072 1.00 0.28 N ATOM 1975 CA ARG A 122 12.040 6.832 7.239 1.00 0.32 C ATOM 1976 C ARG A 122 12.718 7.774 6.265 1.00 0.35 C ATOM 1977 O ARG A 122 13.067 7.371 5.158 1.00 0.39 O ATOM 1978 CB ARG A 122 12.437 5.367 7.003 1.00 0.31 C ATOM 1979 CG ARG A 122 12.198 4.498 8.252 1.00 0.33 C ATOM 1980 CD ARG A 122 13.467 3.751 8.686 1.00 0.47 C ATOM 1981 NE ARG A 122 14.525 4.672 9.134 1.00 0.96 N ATOM 1982 CZ ARG A 122 15.806 4.340 9.348 1.00 1.86 C ATOM 1983 NH1 ARG A 122 16.696 5.281 9.647 1.00 2.22 N ATOM 1984 NH2 ARG A 122 16.200 3.070 9.255 1.00 3.21 N ATOM 0 H ARG A 122 10.281 6.776 6.131 1.00 0.28 H new ATOM 0 HA ARG A 122 12.353 7.078 8.254 1.00 0.32 H new ATOM 0 HB2 ARG A 122 11.864 4.966 6.167 1.00 0.31 H new ATOM 0 HB3 ARG A 122 13.489 5.317 6.722 1.00 0.31 H new ATOM 0 HG2 ARG A 122 11.851 5.128 9.071 1.00 0.33 H new ATOM 0 HG3 ARG A 122 11.406 3.778 8.046 1.00 0.33 H new ATOM 0 HD2 ARG A 122 13.223 3.060 9.493 1.00 0.47 H new ATOM 0 HD3 ARG A 122 13.837 3.152 7.854 1.00 0.47 H new ATOM 0 HE ARG A 122 14.261 5.644 9.295 1.00 0.96 H new ATOM 0 HH11 ARG A 122 16.404 6.256 9.714 1.00 2.22 H new ATOM 0 HH12 ARG A 122 17.671 5.028 9.810 1.00 2.22 H new ATOM 0 HH21 ARG A 122 15.525 2.343 9.019 1.00 3.21 H new ATOM 0 HH22 ARG A 122 17.177 2.826 9.419 1.00 3.21 H new ATOM 1998 N ALA A 123 12.942 9.014 6.710 1.00 0.36 N ATOM 1999 CA ALA A 123 13.706 10.007 5.968 1.00 0.37 C ATOM 2000 C ALA A 123 14.983 9.389 5.406 1.00 0.38 C ATOM 2001 O ALA A 123 15.299 9.622 4.253 1.00 0.37 O ATOM 2002 CB ALA A 123 14.015 11.210 6.864 1.00 0.39 C ATOM 0 H ALA A 123 12.592 9.355 7.605 1.00 0.36 H new ATOM 0 HA ALA A 123 13.110 10.357 5.125 1.00 0.37 H new ATOM 0 HB1 ALA A 123 14.587 11.947 6.300 1.00 0.39 H new ATOM 0 HB2 ALA A 123 13.082 11.659 7.205 1.00 0.39 H new ATOM 0 HB3 ALA A 123 14.597 10.882 7.726 1.00 0.39 H new ATOM 2008 N ASP A 124 15.669 8.562 6.195 1.00 0.40 N ATOM 2009 CA ASP A 124 16.875 7.815 5.837 1.00 0.43 C ATOM 2010 C ASP A 124 16.747 7.073 4.501 1.00 0.42 C ATOM 2011 O ASP A 124 17.506 7.346 3.577 1.00 0.41 O ATOM 2012 CB ASP A 124 17.153 6.863 7.008 1.00 0.49 C ATOM 2013 CG ASP A 124 18.478 6.102 6.950 1.00 1.67 C ATOM 2014 OD1 ASP A 124 18.840 5.566 8.024 1.00 2.28 O ATOM 2015 OD2 ASP A 124 19.082 6.037 5.863 1.00 3.29 O ATOM 0 H ASP A 124 15.381 8.385 7.157 1.00 0.40 H new ATOM 0 HA ASP A 124 17.710 8.497 5.680 1.00 0.43 H new ATOM 0 HB2 ASP A 124 17.127 7.439 7.933 1.00 0.49 H new ATOM 0 HB3 ASP A 124 16.341 6.137 7.062 1.00 0.49 H new ATOM 2020 N LEU A 125 15.759 6.186 4.326 1.00 0.43 N ATOM 2021 CA LEU A 125 15.566 5.527 3.036 1.00 0.43 C ATOM 2022 C LEU A 125 15.353 6.560 1.919 1.00 0.40 C ATOM 2023 O LEU A 125 15.734 6.347 0.771 1.00 0.44 O ATOM 2024 CB LEU A 125 14.383 4.556 3.127 1.00 0.47 C ATOM 2025 CG LEU A 125 14.660 3.364 4.052 1.00 0.52 C ATOM 2026 CD1 LEU A 125 13.338 2.685 4.398 1.00 1.28 C ATOM 2027 CD2 LEU A 125 15.595 2.351 3.394 1.00 1.42 C ATOM 0 H LEU A 125 15.094 5.914 5.050 1.00 0.43 H new ATOM 0 HA LEU A 125 16.464 4.961 2.788 1.00 0.43 H new ATOM 0 HB2 LEU A 125 13.505 5.093 3.487 1.00 0.47 H new ATOM 0 HB3 LEU A 125 14.144 4.188 2.129 1.00 0.47 H new ATOM 0 HG LEU A 125 15.146 3.734 4.955 1.00 0.52 H new ATOM 0 HD11 LEU A 125 13.526 1.836 5.056 1.00 1.28 H new ATOM 0 HD12 LEU A 125 12.684 3.397 4.902 1.00 1.28 H new ATOM 0 HD13 LEU A 125 12.858 2.336 3.484 1.00 1.28 H new ATOM 0 HD21 LEU A 125 15.770 1.520 4.077 1.00 1.42 H new ATOM 0 HD22 LEU A 125 15.139 1.977 2.477 1.00 1.42 H new ATOM 0 HD23 LEU A 125 16.544 2.832 3.158 1.00 1.42 H new ATOM 2039 N ALA A 126 14.731 7.688 2.255 1.00 0.36 N ATOM 2040 CA ALA A 126 14.482 8.789 1.340 1.00 0.33 C ATOM 2041 C ALA A 126 15.766 9.561 1.033 1.00 0.34 C ATOM 2042 O ALA A 126 15.873 10.187 -0.016 1.00 0.32 O ATOM 2043 CB ALA A 126 13.417 9.714 1.932 1.00 0.31 C ATOM 0 H ALA A 126 14.379 7.862 3.196 1.00 0.36 H new ATOM 0 HA ALA A 126 14.118 8.382 0.397 1.00 0.33 H new ATOM 0 HB1 ALA A 126 13.230 10.540 1.246 1.00 0.31 H new ATOM 0 HB2 ALA A 126 12.494 9.155 2.086 1.00 0.31 H new ATOM 0 HB3 ALA A 126 13.767 10.107 2.886 1.00 0.31 H new ATOM 2049 N GLU A 127 16.737 9.535 1.939 1.00 0.40 N ATOM 2050 CA GLU A 127 18.048 10.111 1.750 1.00 0.46 C ATOM 2051 C GLU A 127 18.832 9.262 0.778 1.00 0.47 C ATOM 2052 O GLU A 127 19.320 9.792 -0.208 1.00 0.49 O ATOM 2053 CB GLU A 127 18.840 10.256 3.048 1.00 0.52 C ATOM 2054 CG GLU A 127 18.120 11.224 3.985 1.00 0.55 C ATOM 2055 CD GLU A 127 19.082 12.170 4.712 1.00 0.82 C ATOM 2056 OE1 GLU A 127 20.293 11.849 4.779 1.00 2.07 O ATOM 2057 OE2 GLU A 127 18.625 13.253 5.127 1.00 1.44 O ATOM 0 H GLU A 127 16.622 9.096 2.853 1.00 0.40 H new ATOM 0 HA GLU A 127 17.897 11.117 1.359 1.00 0.46 H new ATOM 0 HB2 GLU A 127 18.950 9.284 3.529 1.00 0.52 H new ATOM 0 HB3 GLU A 127 19.844 10.621 2.834 1.00 0.52 H new ATOM 0 HG2 GLU A 127 17.403 11.812 3.412 1.00 0.55 H new ATOM 0 HG3 GLU A 127 17.551 10.655 4.721 1.00 0.55 H new ATOM 2064 N GLU A 128 18.949 7.957 1.029 1.00 0.48 N ATOM 2065 CA GLU A 128 19.661 7.063 0.119 1.00 0.50 C ATOM 2066 C GLU A 128 19.054 7.188 -1.275 1.00 0.45 C ATOM 2067 O GLU A 128 19.772 7.202 -2.271 1.00 0.44 O ATOM 2068 CB GLU A 128 19.623 5.617 0.644 1.00 0.56 C ATOM 2069 CG GLU A 128 20.686 4.723 -0.029 1.00 0.62 C ATOM 2070 CD GLU A 128 20.132 3.528 -0.825 1.00 2.07 C ATOM 2071 OE1 GLU A 128 19.140 3.699 -1.567 1.00 3.44 O ATOM 2072 OE2 GLU A 128 20.746 2.438 -0.719 1.00 2.75 O ATOM 0 H GLU A 128 18.561 7.498 1.853 1.00 0.48 H new ATOM 0 HA GLU A 128 20.712 7.347 0.061 1.00 0.50 H new ATOM 0 HB2 GLU A 128 19.783 5.620 1.722 1.00 0.56 H new ATOM 0 HB3 GLU A 128 18.633 5.195 0.470 1.00 0.56 H new ATOM 0 HG2 GLU A 128 21.284 5.340 -0.700 1.00 0.62 H new ATOM 0 HG3 GLU A 128 21.359 4.345 0.741 1.00 0.62 H new ATOM 2079 N TYR A 129 17.734 7.382 -1.339 1.00 0.40 N ATOM 2080 CA TYR A 129 17.046 7.595 -2.602 1.00 0.35 C ATOM 2081 C TYR A 129 17.489 8.911 -3.239 1.00 0.35 C ATOM 2082 O TYR A 129 17.968 8.950 -4.367 1.00 0.39 O ATOM 2083 CB TYR A 129 15.535 7.614 -2.354 1.00 0.32 C ATOM 2084 CG TYR A 129 14.704 7.895 -3.593 1.00 0.77 C ATOM 2085 CD1 TYR A 129 14.318 6.834 -4.426 1.00 1.79 C ATOM 2086 CD2 TYR A 129 14.329 9.211 -3.922 1.00 1.99 C ATOM 2087 CE1 TYR A 129 13.574 7.069 -5.595 1.00 2.15 C ATOM 2088 CE2 TYR A 129 13.592 9.461 -5.093 1.00 2.48 C ATOM 2089 CZ TYR A 129 13.212 8.393 -5.936 1.00 2.05 C ATOM 2090 OH TYR A 129 12.513 8.653 -7.076 1.00 2.67 O ATOM 0 H TYR A 129 17.123 7.395 -0.522 1.00 0.40 H new ATOM 0 HA TYR A 129 17.295 6.784 -3.286 1.00 0.35 H new ATOM 0 HB2 TYR A 129 15.234 6.652 -1.939 1.00 0.32 H new ATOM 0 HB3 TYR A 129 15.311 8.370 -1.601 1.00 0.32 H new ATOM 0 HD1 TYR A 129 14.596 5.823 -4.165 1.00 1.79 H new ATOM 0 HD2 TYR A 129 14.608 10.029 -3.275 1.00 1.99 H new ATOM 0 HE1 TYR A 129 13.281 6.245 -6.228 1.00 2.15 H new ATOM 0 HE2 TYR A 129 13.315 10.473 -5.349 1.00 2.48 H new ATOM 0 HH TYR A 129 12.351 9.617 -7.148 1.00 2.67 H new ATOM 2100 N SER A 130 17.274 10.014 -2.529 1.00 0.35 N ATOM 2101 CA SER A 130 17.388 11.369 -3.041 1.00 0.37 C ATOM 2102 C SER A 130 18.814 11.603 -3.528 1.00 0.46 C ATOM 2103 O SER A 130 19.045 12.052 -4.649 1.00 0.79 O ATOM 2104 CB SER A 130 16.956 12.335 -1.929 1.00 0.38 C ATOM 2105 OG SER A 130 17.018 13.675 -2.365 1.00 0.51 O ATOM 0 H SER A 130 17.006 9.984 -1.545 1.00 0.35 H new ATOM 0 HA SER A 130 16.737 11.539 -3.898 1.00 0.37 H new ATOM 0 HB2 SER A 130 15.940 12.099 -1.613 1.00 0.38 H new ATOM 0 HB3 SER A 130 17.599 12.203 -1.059 1.00 0.38 H new ATOM 0 HG SER A 130 16.736 14.269 -1.638 1.00 0.51 H new ATOM 2111 N LYS A 131 19.768 11.231 -2.679 1.00 0.33 N ATOM 2112 CA LYS A 131 21.191 11.238 -2.969 1.00 0.35 C ATOM 2113 C LYS A 131 21.491 10.314 -4.139 1.00 0.35 C ATOM 2114 O LYS A 131 22.247 10.697 -5.028 1.00 0.40 O ATOM 2115 CB LYS A 131 21.972 10.818 -1.714 1.00 0.40 C ATOM 2116 CG LYS A 131 22.098 11.990 -0.725 1.00 0.57 C ATOM 2117 CD LYS A 131 21.891 11.556 0.730 1.00 1.43 C ATOM 2118 CE LYS A 131 22.582 12.543 1.678 1.00 1.92 C ATOM 2119 NZ LYS A 131 22.267 12.279 3.099 1.00 2.86 N ATOM 0 H LYS A 131 19.559 10.905 -1.736 1.00 0.33 H new ATOM 0 HA LYS A 131 21.503 12.244 -3.250 1.00 0.35 H new ATOM 0 HB2 LYS A 131 21.467 9.982 -1.230 1.00 0.40 H new ATOM 0 HB3 LYS A 131 22.965 10.469 -1.999 1.00 0.40 H new ATOM 0 HG2 LYS A 131 23.084 12.444 -0.828 1.00 0.57 H new ATOM 0 HG3 LYS A 131 21.366 12.756 -0.980 1.00 0.57 H new ATOM 0 HD2 LYS A 131 20.826 11.509 0.955 1.00 1.43 H new ATOM 0 HD3 LYS A 131 22.293 10.554 0.879 1.00 1.43 H new ATOM 0 HE2 LYS A 131 23.661 12.487 1.532 1.00 1.92 H new ATOM 0 HE3 LYS A 131 22.278 13.559 1.424 1.00 1.92 H new ATOM 0 HZ1 LYS A 131 22.688 13.022 3.692 1.00 2.86 H new ATOM 0 HZ2 LYS A 131 21.235 12.274 3.231 1.00 2.86 H new ATOM 0 HZ3 LYS A 131 22.655 11.355 3.375 1.00 2.86 H new ATOM 2133 N ASP A 132 20.965 9.087 -4.136 1.00 0.33 N ATOM 2134 CA ASP A 132 21.362 8.128 -5.153 1.00 0.38 C ATOM 2135 C ASP A 132 20.313 7.055 -5.415 1.00 0.39 C ATOM 2136 O ASP A 132 20.449 5.890 -5.030 1.00 0.55 O ATOM 2137 CB ASP A 132 22.683 7.479 -4.769 1.00 0.46 C ATOM 2138 CG ASP A 132 23.284 6.738 -5.961 1.00 0.59 C ATOM 2139 OD1 ASP A 132 22.623 6.681 -7.033 1.00 1.75 O ATOM 2140 OD2 ASP A 132 24.421 6.245 -5.771 1.00 1.80 O ATOM 0 H ASP A 132 20.283 8.746 -3.459 1.00 0.33 H new ATOM 0 HA ASP A 132 21.473 8.688 -6.081 1.00 0.38 H new ATOM 0 HB2 ASP A 132 23.380 8.240 -4.418 1.00 0.46 H new ATOM 0 HB3 ASP A 132 22.527 6.785 -3.943 1.00 0.46 H new ATOM 2145 N ARG A 133 19.312 7.419 -6.217 1.00 0.32 N ATOM 2146 CA ARG A 133 18.260 6.489 -6.593 1.00 0.31 C ATOM 2147 C ARG A 133 18.803 5.209 -7.200 1.00 0.30 C ATOM 2148 O ARG A 133 18.061 4.244 -7.268 1.00 0.31 O ATOM 2149 CB ARG A 133 17.263 7.064 -7.602 1.00 0.37 C ATOM 2150 CG ARG A 133 16.591 8.366 -7.152 1.00 0.48 C ATOM 2151 CD ARG A 133 17.436 9.608 -7.479 1.00 1.38 C ATOM 2152 NE ARG A 133 16.627 10.725 -7.989 1.00 1.53 N ATOM 2153 CZ ARG A 133 16.042 10.775 -9.193 1.00 2.00 C ATOM 2154 NH1 ARG A 133 15.398 11.875 -9.582 1.00 2.60 N ATOM 2155 NH2 ARG A 133 16.105 9.724 -10.013 1.00 3.05 N ATOM 0 H ARG A 133 19.212 8.352 -6.616 1.00 0.32 H new ATOM 0 HA ARG A 133 17.753 6.287 -5.650 1.00 0.31 H new ATOM 0 HB2 ARG A 133 17.780 7.243 -8.545 1.00 0.37 H new ATOM 0 HB3 ARG A 133 16.491 6.319 -7.798 1.00 0.37 H new ATOM 0 HG2 ARG A 133 15.618 8.455 -7.635 1.00 0.48 H new ATOM 0 HG3 ARG A 133 16.411 8.326 -6.078 1.00 0.48 H new ATOM 0 HD2 ARG A 133 17.966 9.928 -6.582 1.00 1.38 H new ATOM 0 HD3 ARG A 133 18.192 9.344 -8.219 1.00 1.38 H new ATOM 0 HE ARG A 133 16.501 11.529 -7.374 1.00 1.53 H new ATOM 0 HH11 ARG A 133 15.349 12.683 -8.962 1.00 2.60 H new ATOM 0 HH12 ARG A 133 14.954 11.908 -10.500 1.00 2.60 H new ATOM 0 HH21 ARG A 133 16.599 8.880 -9.723 1.00 3.05 H new ATOM 0 HH22 ARG A 133 15.659 9.765 -10.929 1.00 3.05 H new ATOM 2169 N LYS A 134 20.035 5.163 -7.708 1.00 0.33 N ATOM 2170 CA LYS A 134 20.498 3.948 -8.355 1.00 0.34 C ATOM 2171 C LYS A 134 20.680 2.849 -7.330 1.00 0.39 C ATOM 2172 O LYS A 134 20.326 1.712 -7.620 1.00 0.47 O ATOM 2173 CB LYS A 134 21.780 4.215 -9.128 1.00 0.39 C ATOM 2174 CG LYS A 134 21.402 5.064 -10.350 1.00 0.47 C ATOM 2175 CD LYS A 134 22.612 5.783 -10.942 1.00 1.63 C ATOM 2176 CE LYS A 134 22.216 7.175 -11.443 1.00 2.39 C ATOM 2177 NZ LYS A 134 21.947 8.091 -10.309 1.00 3.65 N ATOM 0 H LYS A 134 20.707 5.930 -7.684 1.00 0.33 H new ATOM 0 HA LYS A 134 19.747 3.614 -9.071 1.00 0.34 H new ATOM 0 HB2 LYS A 134 22.504 4.739 -8.504 1.00 0.39 H new ATOM 0 HB3 LYS A 134 22.245 3.279 -9.438 1.00 0.39 H new ATOM 0 HG2 LYS A 134 20.952 4.425 -11.110 1.00 0.47 H new ATOM 0 HG3 LYS A 134 20.649 5.798 -10.063 1.00 0.47 H new ATOM 0 HD2 LYS A 134 23.395 5.870 -10.189 1.00 1.63 H new ATOM 0 HD3 LYS A 134 23.024 5.198 -11.764 1.00 1.63 H new ATOM 0 HE2 LYS A 134 23.014 7.583 -12.063 1.00 2.39 H new ATOM 0 HE3 LYS A 134 21.330 7.100 -12.073 1.00 2.39 H new ATOM 0 HZ1 LYS A 134 22.065 9.076 -10.622 1.00 3.65 H new ATOM 0 HZ2 LYS A 134 20.973 7.949 -9.972 1.00 3.65 H new ATOM 0 HZ3 LYS A 134 22.613 7.892 -9.536 1.00 3.65 H new ATOM 2191 N LYS A 135 21.195 3.161 -6.139 1.00 0.39 N ATOM 2192 CA LYS A 135 21.169 2.158 -5.080 1.00 0.40 C ATOM 2193 C LYS A 135 19.743 1.822 -4.702 1.00 0.36 C ATOM 2194 O LYS A 135 19.468 0.660 -4.468 1.00 0.38 O ATOM 2195 CB LYS A 135 21.938 2.548 -3.817 1.00 0.49 C ATOM 2196 CG LYS A 135 23.450 2.449 -4.037 1.00 0.54 C ATOM 2197 CD LYS A 135 24.091 3.818 -4.223 1.00 1.23 C ATOM 2198 CE LYS A 135 25.104 4.104 -3.116 1.00 1.48 C ATOM 2199 NZ LYS A 135 25.641 5.472 -3.258 1.00 2.87 N ATOM 0 H LYS A 135 21.616 4.057 -5.892 1.00 0.39 H new ATOM 0 HA LYS A 135 21.677 1.290 -5.501 1.00 0.40 H new ATOM 0 HB2 LYS A 135 21.676 3.566 -3.528 1.00 0.49 H new ATOM 0 HB3 LYS A 135 21.644 1.897 -2.994 1.00 0.49 H new ATOM 0 HG2 LYS A 135 23.908 1.947 -3.185 1.00 0.54 H new ATOM 0 HG3 LYS A 135 23.649 1.833 -4.914 1.00 0.54 H new ATOM 0 HD2 LYS A 135 24.585 3.863 -5.193 1.00 1.23 H new ATOM 0 HD3 LYS A 135 23.319 4.588 -4.222 1.00 1.23 H new ATOM 0 HE2 LYS A 135 24.630 3.991 -2.141 1.00 1.48 H new ATOM 0 HE3 LYS A 135 25.917 3.380 -3.161 1.00 1.48 H new ATOM 0 HZ1 LYS A 135 26.678 5.433 -3.322 1.00 2.87 H new ATOM 0 HZ2 LYS A 135 25.257 5.908 -4.121 1.00 2.87 H new ATOM 0 HZ3 LYS A 135 25.366 6.040 -2.431 1.00 2.87 H new ATOM 2213 N PHE A 136 18.818 2.770 -4.637 1.00 0.35 N ATOM 2214 CA PHE A 136 17.458 2.432 -4.231 1.00 0.33 C ATOM 2215 C PHE A 136 16.866 1.431 -5.220 1.00 0.30 C ATOM 2216 O PHE A 136 16.259 0.443 -4.821 1.00 0.32 O ATOM 2217 CB PHE A 136 16.586 3.683 -4.115 1.00 0.33 C ATOM 2218 CG PHE A 136 15.107 3.378 -4.215 1.00 0.76 C ATOM 2219 CD1 PHE A 136 14.467 3.489 -5.464 1.00 2.25 C ATOM 2220 CD2 PHE A 136 14.381 2.956 -3.085 1.00 1.60 C ATOM 2221 CE1 PHE A 136 13.101 3.190 -5.586 1.00 2.70 C ATOM 2222 CE2 PHE A 136 13.013 2.656 -3.210 1.00 1.86 C ATOM 2223 CZ PHE A 136 12.379 2.777 -4.458 1.00 1.92 C ATOM 0 H PHE A 136 18.976 3.754 -4.853 1.00 0.35 H new ATOM 0 HA PHE A 136 17.488 1.974 -3.242 1.00 0.33 H new ATOM 0 HB2 PHE A 136 16.788 4.174 -3.163 1.00 0.33 H new ATOM 0 HB3 PHE A 136 16.861 4.386 -4.901 1.00 0.33 H new ATOM 0 HD1 PHE A 136 15.029 3.805 -6.331 1.00 2.25 H new ATOM 0 HD2 PHE A 136 14.872 2.863 -2.128 1.00 1.60 H new ATOM 0 HE1 PHE A 136 12.609 3.278 -6.544 1.00 2.70 H new ATOM 0 HE2 PHE A 136 12.450 2.333 -2.347 1.00 1.86 H new ATOM 0 HZ PHE A 136 11.327 2.550 -4.549 1.00 1.92 H new ATOM 2233 N CYS A 137 17.046 1.686 -6.514 1.00 0.31 N ATOM 2234 CA CYS A 137 16.562 0.841 -7.579 1.00 0.34 C ATOM 2235 C CYS A 137 17.219 -0.531 -7.477 1.00 0.30 C ATOM 2236 O CYS A 137 16.525 -1.536 -7.510 1.00 0.35 O ATOM 2237 CB CYS A 137 16.844 1.472 -8.946 1.00 0.40 C ATOM 2238 SG CYS A 137 15.775 2.918 -9.190 1.00 1.63 S ATOM 0 H CYS A 137 17.546 2.509 -6.849 1.00 0.31 H new ATOM 0 HA CYS A 137 15.482 0.730 -7.480 1.00 0.34 H new ATOM 0 HB2 CYS A 137 17.891 1.768 -9.011 1.00 0.40 H new ATOM 0 HB3 CYS A 137 16.669 0.742 -9.736 1.00 0.40 H new ATOM 0 HG CYS A 137 16.253 3.928 -8.526 1.00 1.63 H new ATOM 2244 N LYS A 138 18.549 -0.593 -7.351 1.00 0.31 N ATOM 2245 CA LYS A 138 19.243 -1.885 -7.442 1.00 0.36 C ATOM 2246 C LYS A 138 19.021 -2.724 -6.188 1.00 0.45 C ATOM 2247 O LYS A 138 18.866 -3.940 -6.265 1.00 0.64 O ATOM 2248 CB LYS A 138 20.743 -1.723 -7.735 1.00 0.47 C ATOM 2249 CG LYS A 138 21.086 -2.386 -9.074 1.00 0.94 C ATOM 2250 CD LYS A 138 20.559 -1.578 -10.268 1.00 0.99 C ATOM 2251 CE LYS A 138 21.434 -0.357 -10.566 1.00 1.78 C ATOM 2252 NZ LYS A 138 22.757 -0.752 -11.097 1.00 2.33 N ATOM 0 H LYS A 138 19.154 0.212 -7.190 1.00 0.31 H new ATOM 0 HA LYS A 138 18.806 -2.415 -8.288 1.00 0.36 H new ATOM 0 HB2 LYS A 138 21.005 -0.665 -7.765 1.00 0.47 H new ATOM 0 HB3 LYS A 138 21.330 -2.174 -6.935 1.00 0.47 H new ATOM 0 HG2 LYS A 138 22.167 -2.494 -9.158 1.00 0.94 H new ATOM 0 HG3 LYS A 138 20.662 -3.390 -9.100 1.00 0.94 H new ATOM 0 HD2 LYS A 138 20.518 -2.218 -11.149 1.00 0.99 H new ATOM 0 HD3 LYS A 138 19.539 -1.252 -10.063 1.00 0.99 H new ATOM 0 HE2 LYS A 138 20.929 0.286 -11.287 1.00 1.78 H new ATOM 0 HE3 LYS A 138 21.566 0.227 -9.656 1.00 1.78 H new ATOM 0 HZ1 LYS A 138 23.215 0.072 -11.537 1.00 2.33 H new ATOM 0 HZ2 LYS A 138 23.352 -1.105 -10.320 1.00 2.33 H new ATOM 0 HZ3 LYS A 138 22.636 -1.501 -11.808 1.00 2.33 H new ATOM 2266 N ASN A 139 18.994 -2.063 -5.033 1.00 0.39 N ATOM 2267 CA ASN A 139 18.529 -2.636 -3.784 1.00 0.41 C ATOM 2268 C ASN A 139 17.186 -3.274 -4.077 1.00 0.54 C ATOM 2269 O ASN A 139 17.059 -4.480 -3.941 1.00 0.83 O ATOM 2270 CB ASN A 139 18.338 -1.586 -2.678 1.00 0.41 C ATOM 2271 CG ASN A 139 19.594 -1.217 -1.893 1.00 0.47 C ATOM 2272 OD1 ASN A 139 20.213 -2.070 -1.268 1.00 1.21 O ATOM 2273 ND2 ASN A 139 19.900 0.069 -1.802 1.00 0.74 N ATOM 0 H ASN A 139 19.302 -1.095 -4.943 1.00 0.39 H new ATOM 0 HA ASN A 139 19.274 -3.345 -3.423 1.00 0.41 H new ATOM 0 HB2 ASN A 139 17.934 -0.680 -3.129 1.00 0.41 H new ATOM 0 HB3 ASN A 139 17.589 -1.955 -1.977 1.00 0.41 H new ATOM 0 HD21 ASN A 139 20.667 0.369 -1.201 1.00 0.74 H new ATOM 0 HD22 ASN A 139 19.368 0.759 -2.333 1.00 0.74 H new ATOM 2280 N ALA A 140 16.197 -2.472 -4.476 1.00 0.38 N ATOM 2281 CA ALA A 140 14.825 -2.900 -4.673 1.00 0.37 C ATOM 2282 C ALA A 140 14.713 -4.083 -5.639 1.00 0.34 C ATOM 2283 O ALA A 140 13.954 -4.995 -5.372 1.00 0.37 O ATOM 2284 CB ALA A 140 13.950 -1.725 -5.104 1.00 0.33 C ATOM 0 H ALA A 140 16.340 -1.482 -4.674 1.00 0.38 H new ATOM 0 HA ALA A 140 14.455 -3.261 -3.713 1.00 0.37 H new ATOM 0 HB1 ALA A 140 12.925 -2.068 -5.246 1.00 0.33 H new ATOM 0 HB2 ALA A 140 13.971 -0.954 -4.334 1.00 0.33 H new ATOM 0 HB3 ALA A 140 14.328 -1.314 -6.040 1.00 0.33 H new ATOM 2290 N GLU A 141 15.442 -4.110 -6.750 1.00 0.32 N ATOM 2291 CA GLU A 141 15.519 -5.237 -7.670 1.00 0.35 C ATOM 2292 C GLU A 141 15.732 -6.550 -6.923 1.00 0.39 C ATOM 2293 O GLU A 141 15.016 -7.525 -7.151 1.00 0.42 O ATOM 2294 CB GLU A 141 16.676 -4.976 -8.653 1.00 0.37 C ATOM 2295 CG GLU A 141 16.246 -4.213 -9.910 1.00 1.25 C ATOM 2296 CD GLU A 141 17.378 -3.343 -10.461 1.00 1.81 C ATOM 2297 OE1 GLU A 141 17.183 -2.111 -10.562 1.00 3.34 O ATOM 2298 OE2 GLU A 141 18.442 -3.929 -10.760 1.00 1.48 O ATOM 0 H GLU A 141 16.015 -3.319 -7.044 1.00 0.32 H new ATOM 0 HA GLU A 141 14.578 -5.329 -8.212 1.00 0.35 H new ATOM 0 HB2 GLU A 141 17.456 -4.411 -8.143 1.00 0.37 H new ATOM 0 HB3 GLU A 141 17.114 -5.929 -8.948 1.00 0.37 H new ATOM 0 HG2 GLU A 141 15.927 -4.922 -10.674 1.00 1.25 H new ATOM 0 HG3 GLU A 141 15.385 -3.586 -9.678 1.00 1.25 H new ATOM 2305 N GLU A 142 16.731 -6.589 -6.045 1.00 0.50 N ATOM 2306 CA GLU A 142 17.010 -7.777 -5.258 1.00 0.57 C ATOM 2307 C GLU A 142 15.948 -7.968 -4.181 1.00 0.53 C ATOM 2308 O GLU A 142 15.428 -9.062 -4.005 1.00 0.53 O ATOM 2309 CB GLU A 142 18.385 -7.648 -4.596 1.00 0.67 C ATOM 2310 CG GLU A 142 19.481 -8.294 -5.448 1.00 0.84 C ATOM 2311 CD GLU A 142 20.799 -8.427 -4.676 1.00 1.25 C ATOM 2312 OE1 GLU A 142 20.749 -8.330 -3.425 1.00 1.70 O ATOM 2313 OE2 GLU A 142 21.829 -8.664 -5.338 1.00 2.34 O ATOM 0 H GLU A 142 17.360 -5.807 -5.864 1.00 0.50 H new ATOM 0 HA GLU A 142 17.000 -8.641 -5.922 1.00 0.57 H new ATOM 0 HB2 GLU A 142 18.617 -6.595 -4.440 1.00 0.67 H new ATOM 0 HB3 GLU A 142 18.362 -8.118 -3.613 1.00 0.67 H new ATOM 0 HG2 GLU A 142 19.152 -9.280 -5.777 1.00 0.84 H new ATOM 0 HG3 GLU A 142 19.644 -7.696 -6.345 1.00 0.84 H new ATOM 2320 N PHE A 143 15.675 -6.917 -3.413 1.00 0.56 N ATOM 2321 CA PHE A 143 14.826 -6.887 -2.229 1.00 0.58 C ATOM 2322 C PHE A 143 13.445 -7.450 -2.567 1.00 0.43 C ATOM 2323 O PHE A 143 12.895 -8.264 -1.832 1.00 0.42 O ATOM 2324 CB PHE A 143 14.812 -5.451 -1.664 1.00 0.81 C ATOM 2325 CG PHE A 143 13.449 -4.937 -1.275 1.00 1.64 C ATOM 2326 CD1 PHE A 143 13.043 -4.952 0.064 1.00 1.16 C ATOM 2327 CD2 PHE A 143 12.546 -4.536 -2.273 1.00 4.14 C ATOM 2328 CE1 PHE A 143 11.728 -4.604 0.382 1.00 2.83 C ATOM 2329 CE2 PHE A 143 11.214 -4.270 -1.953 1.00 5.96 C ATOM 2330 CZ PHE A 143 10.794 -4.299 -0.620 1.00 5.27 C ATOM 0 H PHE A 143 16.070 -5.999 -3.618 1.00 0.56 H new ATOM 0 HA PHE A 143 15.216 -7.528 -1.439 1.00 0.58 H new ATOM 0 HB2 PHE A 143 15.462 -5.413 -0.790 1.00 0.81 H new ATOM 0 HB3 PHE A 143 15.239 -4.779 -2.408 1.00 0.81 H new ATOM 0 HD1 PHE A 143 13.738 -5.229 0.843 1.00 1.16 H new ATOM 0 HD2 PHE A 143 12.884 -4.433 -3.293 1.00 4.14 H new ATOM 0 HE1 PHE A 143 11.425 -4.569 1.418 1.00 2.83 H new ATOM 0 HE2 PHE A 143 10.507 -4.041 -2.736 1.00 5.96 H new ATOM 0 HZ PHE A 143 9.766 -4.090 -0.365 1.00 5.27 H new ATOM 2340 N THR A 144 12.900 -7.041 -3.704 1.00 0.36 N ATOM 2341 CA THR A 144 11.636 -7.488 -4.237 1.00 0.30 C ATOM 2342 C THR A 144 11.764 -8.971 -4.551 1.00 0.25 C ATOM 2343 O THR A 144 10.901 -9.749 -4.170 1.00 0.29 O ATOM 2344 CB THR A 144 11.290 -6.621 -5.456 1.00 0.41 C ATOM 2345 OG1 THR A 144 10.834 -5.362 -5.002 1.00 0.58 O ATOM 2346 CG2 THR A 144 10.205 -7.230 -6.331 1.00 0.44 C ATOM 0 H THR A 144 13.356 -6.354 -4.304 1.00 0.36 H new ATOM 0 HA THR A 144 10.813 -7.376 -3.531 1.00 0.30 H new ATOM 0 HB THR A 144 12.195 -6.538 -6.058 1.00 0.41 H new ATOM 0 HG1 THR A 144 11.222 -5.171 -4.123 1.00 0.58 H new ATOM 0 HG21 THR A 144 10.006 -6.570 -7.175 1.00 0.44 H new ATOM 0 HG22 THR A 144 10.537 -8.201 -6.699 1.00 0.44 H new ATOM 0 HG23 THR A 144 9.294 -7.356 -5.746 1.00 0.44 H new ATOM 2354 N LYS A 145 12.845 -9.399 -5.202 1.00 0.28 N ATOM 2355 CA LYS A 145 13.007 -10.824 -5.467 1.00 0.40 C ATOM 2356 C LYS A 145 13.281 -11.653 -4.198 1.00 0.40 C ATOM 2357 O LYS A 145 13.111 -12.868 -4.236 1.00 0.52 O ATOM 2358 CB LYS A 145 14.082 -11.015 -6.541 1.00 0.57 C ATOM 2359 CG LYS A 145 13.799 -12.254 -7.398 1.00 1.78 C ATOM 2360 CD LYS A 145 14.479 -12.105 -8.762 1.00 3.12 C ATOM 2361 CE LYS A 145 14.668 -13.454 -9.457 1.00 3.89 C ATOM 2362 NZ LYS A 145 13.395 -14.190 -9.622 1.00 5.17 N ATOM 0 H LYS A 145 13.597 -8.801 -5.545 1.00 0.28 H new ATOM 0 HA LYS A 145 12.060 -11.211 -5.842 1.00 0.40 H new ATOM 0 HB2 LYS A 145 14.124 -10.131 -7.178 1.00 0.57 H new ATOM 0 HB3 LYS A 145 15.059 -11.113 -6.067 1.00 0.57 H new ATOM 0 HG2 LYS A 145 14.166 -13.148 -6.894 1.00 1.78 H new ATOM 0 HG3 LYS A 145 12.724 -12.380 -7.529 1.00 1.78 H new ATOM 0 HD2 LYS A 145 13.881 -11.451 -9.396 1.00 3.12 H new ATOM 0 HD3 LYS A 145 15.449 -11.624 -8.633 1.00 3.12 H new ATOM 0 HE2 LYS A 145 15.121 -13.295 -10.435 1.00 3.89 H new ATOM 0 HE3 LYS A 145 15.363 -14.063 -8.879 1.00 3.89 H new ATOM 0 HZ1 LYS A 145 13.554 -15.030 -10.215 1.00 5.17 H new ATOM 0 HZ2 LYS A 145 13.042 -14.486 -8.690 1.00 5.17 H new ATOM 0 HZ3 LYS A 145 12.693 -13.572 -10.078 1.00 5.17 H new ATOM 2376 N LYS A 146 13.718 -11.039 -3.091 1.00 0.35 N ATOM 2377 CA LYS A 146 13.984 -11.718 -1.820 1.00 0.39 C ATOM 2378 C LYS A 146 12.686 -11.913 -1.035 1.00 0.30 C ATOM 2379 O LYS A 146 12.400 -13.018 -0.587 1.00 0.35 O ATOM 2380 CB LYS A 146 15.020 -10.927 -0.993 1.00 0.62 C ATOM 2381 CG LYS A 146 16.463 -11.206 -1.465 1.00 1.03 C ATOM 2382 CD LYS A 146 17.323 -9.959 -1.733 1.00 1.13 C ATOM 2383 CE LYS A 146 18.438 -9.731 -0.703 1.00 1.40 C ATOM 2384 NZ LYS A 146 19.258 -8.545 -1.044 1.00 2.31 N ATOM 0 H LYS A 146 13.900 -10.036 -3.055 1.00 0.35 H new ATOM 0 HA LYS A 146 14.401 -12.703 -2.031 1.00 0.39 H new ATOM 0 HB2 LYS A 146 14.811 -9.860 -1.073 1.00 0.62 H new ATOM 0 HB3 LYS A 146 14.924 -11.192 0.060 1.00 0.62 H new ATOM 0 HG2 LYS A 146 16.962 -11.815 -0.712 1.00 1.03 H new ATOM 0 HG3 LYS A 146 16.420 -11.800 -2.378 1.00 1.03 H new ATOM 0 HD2 LYS A 146 17.770 -10.046 -2.723 1.00 1.13 H new ATOM 0 HD3 LYS A 146 16.676 -9.082 -1.752 1.00 1.13 H new ATOM 0 HE2 LYS A 146 18.000 -9.599 0.286 1.00 1.40 H new ATOM 0 HE3 LYS A 146 19.076 -10.614 -0.654 1.00 1.40 H new ATOM 0 HZ1 LYS A 146 19.991 -8.410 -0.319 1.00 2.31 H new ATOM 0 HZ2 LYS A 146 19.709 -8.689 -1.970 1.00 2.31 H new ATOM 0 HZ3 LYS A 146 18.650 -7.702 -1.083 1.00 2.31 H new ATOM 2398 N TYR A 147 11.938 -10.833 -0.812 1.00 0.32 N ATOM 2399 CA TYR A 147 10.764 -10.789 0.052 1.00 0.44 C ATOM 2400 C TYR A 147 9.498 -10.350 -0.673 1.00 0.42 C ATOM 2401 O TYR A 147 8.407 -10.655 -0.201 1.00 0.56 O ATOM 2402 CB TYR A 147 11.009 -9.817 1.206 1.00 0.64 C ATOM 2403 CG TYR A 147 11.166 -10.553 2.508 1.00 0.67 C ATOM 2404 CD1 TYR A 147 12.386 -11.182 2.787 1.00 2.02 C ATOM 2405 CD2 TYR A 147 10.068 -10.708 3.374 1.00 1.80 C ATOM 2406 CE1 TYR A 147 12.527 -11.955 3.947 1.00 1.99 C ATOM 2407 CE2 TYR A 147 10.210 -11.461 4.549 1.00 1.87 C ATOM 2408 CZ TYR A 147 11.441 -12.085 4.846 1.00 0.77 C ATOM 2409 OH TYR A 147 11.563 -12.815 5.990 1.00 0.85 O ATOM 0 H TYR A 147 12.143 -9.933 -1.245 1.00 0.32 H new ATOM 0 HA TYR A 147 10.611 -11.807 0.409 1.00 0.44 H new ATOM 0 HB2 TYR A 147 11.905 -9.229 1.007 1.00 0.64 H new ATOM 0 HB3 TYR A 147 10.177 -9.116 1.279 1.00 0.64 H new ATOM 0 HD1 TYR A 147 13.218 -11.071 2.108 1.00 2.02 H new ATOM 0 HD2 TYR A 147 9.120 -10.249 3.135 1.00 1.80 H new ATOM 0 HE1 TYR A 147 13.463 -12.451 4.155 1.00 1.99 H new ATOM 0 HE2 TYR A 147 9.376 -11.564 5.228 1.00 1.87 H new ATOM 0 HH TYR A 147 10.717 -12.792 6.485 1.00 0.85 H new ATOM 2419 N GLY A 148 9.620 -9.547 -1.728 1.00 0.32 N ATOM 2420 CA GLY A 148 8.470 -9.035 -2.456 1.00 0.33 C ATOM 2421 C GLY A 148 7.607 -10.177 -2.988 1.00 0.37 C ATOM 2422 O GLY A 148 8.082 -11.289 -3.209 1.00 0.46 O ATOM 0 H GLY A 148 10.518 -9.236 -2.098 1.00 0.32 H new ATOM 0 HA2 GLY A 148 7.874 -8.399 -1.801 1.00 0.33 H new ATOM 0 HA3 GLY A 148 8.807 -8.413 -3.285 1.00 0.33 H new ATOM 2426 N GLU A 149 6.316 -9.909 -3.180 1.00 0.32 N ATOM 2427 CA GLU A 149 5.402 -10.931 -3.670 1.00 0.27 C ATOM 2428 C GLU A 149 5.685 -11.201 -5.157 1.00 0.30 C ATOM 2429 O GLU A 149 6.493 -10.517 -5.785 1.00 0.52 O ATOM 2430 CB GLU A 149 3.944 -10.495 -3.451 1.00 0.32 C ATOM 2431 CG GLU A 149 3.165 -11.471 -2.557 1.00 0.73 C ATOM 2432 CD GLU A 149 3.059 -12.866 -3.155 1.00 0.68 C ATOM 2433 OE1 GLU A 149 2.607 -12.963 -4.314 1.00 1.87 O ATOM 2434 OE2 GLU A 149 3.438 -13.857 -2.497 1.00 1.50 O ATOM 0 H GLU A 149 5.886 -9.001 -3.005 1.00 0.32 H new ATOM 0 HA GLU A 149 5.558 -11.855 -3.113 1.00 0.27 H new ATOM 0 HB2 GLU A 149 3.929 -9.503 -2.999 1.00 0.32 H new ATOM 0 HB3 GLU A 149 3.444 -10.413 -4.416 1.00 0.32 H new ATOM 0 HG2 GLU A 149 3.654 -11.534 -1.585 1.00 0.73 H new ATOM 0 HG3 GLU A 149 2.163 -11.078 -2.385 1.00 0.73 H new ATOM 2441 N LYS A 150 4.990 -12.153 -5.776 1.00 0.34 N ATOM 2442 CA LYS A 150 5.133 -12.399 -7.202 1.00 0.51 C ATOM 2443 C LYS A 150 4.039 -11.623 -7.935 1.00 0.59 C ATOM 2444 O LYS A 150 2.882 -12.032 -7.974 1.00 0.68 O ATOM 2445 CB LYS A 150 5.137 -13.913 -7.463 1.00 0.62 C ATOM 2446 CG LYS A 150 3.788 -14.603 -7.207 1.00 1.97 C ATOM 2447 CD LYS A 150 3.963 -16.025 -6.656 1.00 2.29 C ATOM 2448 CE LYS A 150 4.099 -16.009 -5.128 1.00 3.18 C ATOM 2449 NZ LYS A 150 2.826 -15.665 -4.462 1.00 4.89 N ATOM 0 H LYS A 150 4.322 -12.766 -5.308 1.00 0.34 H new ATOM 0 HA LYS A 150 6.085 -12.037 -7.591 1.00 0.51 H new ATOM 0 HB2 LYS A 150 5.432 -14.091 -8.497 1.00 0.62 H new ATOM 0 HB3 LYS A 150 5.895 -14.377 -6.831 1.00 0.62 H new ATOM 0 HG2 LYS A 150 3.206 -14.010 -6.501 1.00 1.97 H new ATOM 0 HG3 LYS A 150 3.219 -14.642 -8.136 1.00 1.97 H new ATOM 0 HD2 LYS A 150 3.108 -16.638 -6.942 1.00 2.29 H new ATOM 0 HD3 LYS A 150 4.847 -16.484 -7.099 1.00 2.29 H new ATOM 0 HE2 LYS A 150 4.435 -16.987 -4.784 1.00 3.18 H new ATOM 0 HE3 LYS A 150 4.865 -15.289 -4.840 1.00 3.18 H new ATOM 0 HZ1 LYS A 150 2.954 -15.699 -3.430 1.00 4.89 H new ATOM 0 HZ2 LYS A 150 2.535 -14.707 -4.744 1.00 4.89 H new ATOM 0 HZ3 LYS A 150 2.092 -16.347 -4.742 1.00 4.89 H new ATOM 2463 N ARG A 151 4.385 -10.469 -8.509 1.00 0.60 N ATOM 2464 CA ARG A 151 3.426 -9.733 -9.328 1.00 0.61 C ATOM 2465 C ARG A 151 2.948 -10.618 -10.474 1.00 0.66 C ATOM 2466 O ARG A 151 3.735 -11.403 -11.010 1.00 0.81 O ATOM 2467 CB ARG A 151 4.019 -8.438 -9.896 1.00 0.65 C ATOM 2468 CG ARG A 151 5.339 -8.650 -10.643 1.00 0.88 C ATOM 2469 CD ARG A 151 5.226 -8.514 -12.166 1.00 1.29 C ATOM 2470 NE ARG A 151 5.377 -9.815 -12.829 1.00 1.49 N ATOM 2471 CZ ARG A 151 5.692 -9.971 -14.118 1.00 2.12 C ATOM 2472 NH1 ARG A 151 6.035 -11.174 -14.576 1.00 2.46 N ATOM 2473 NH2 ARG A 151 5.669 -8.926 -14.944 1.00 3.25 N ATOM 0 H ARG A 151 5.303 -10.033 -8.424 1.00 0.60 H new ATOM 0 HA ARG A 151 2.590 -9.458 -8.685 1.00 0.61 H new ATOM 0 HB2 ARG A 151 3.296 -7.982 -10.573 1.00 0.65 H new ATOM 0 HB3 ARG A 151 4.181 -7.733 -9.081 1.00 0.65 H new ATOM 0 HG2 ARG A 151 6.070 -7.929 -10.278 1.00 0.88 H new ATOM 0 HG3 ARG A 151 5.723 -9.642 -10.405 1.00 0.88 H new ATOM 0 HD2 ARG A 151 4.259 -8.082 -12.424 1.00 1.29 H new ATOM 0 HD3 ARG A 151 5.990 -7.827 -12.530 1.00 1.29 H new ATOM 0 HE ARG A 151 5.232 -10.655 -12.269 1.00 1.49 H new ATOM 0 HH11 ARG A 151 6.057 -11.974 -13.943 1.00 2.46 H new ATOM 0 HH12 ARG A 151 6.276 -11.296 -15.560 1.00 2.46 H new ATOM 0 HH21 ARG A 151 5.410 -8.004 -14.593 1.00 3.25 H new ATOM 0 HH22 ARG A 151 5.910 -9.048 -15.928 1.00 3.25 H new