USER MOD reduce.3.24.130724 H: found=0, std=0, add=1344, rem=0, adj=47 USER MOD reduce.3.24.130724 removed 1346 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 10 LYS NZ :NH3+ -168:sc= 2.58! (180deg=0.433!) USER MOD Set 1.2: B 71 TYR OH : rot -68:sc= 0.938 USER MOD Single : A 6 GLN :FLIP amide:sc= -0.158 F(o=-1.6,f=-0.16) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.123 USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=-0.078) USER MOD Single : A 15 LYS NZ :NH3+ -143:sc= 1.29 (180deg=0.382) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 75:sc= 0.167 USER MOD Single : A 25 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0524) USER MOD Single : A 26 LYS NZ :NH3+ -178:sc= 1.22 (180deg=1.19) USER MOD Single : A 35 LYS NZ :NH3+ -120:sc= 0.847 (180deg=-0.73!) USER MOD Single : A 37 SER OG : rot 75:sc= 0.093 USER MOD Single : A 39 ASN : amide:sc= 1.06 K(o=1.1,f=-0.97) USER MOD Single : A 42 SER OG : rot 50:sc= 1.19 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -176:sc= 1.28 (180deg=1.15) USER MOD Single : A 47 THR OG1 : rot 82:sc= 0.712 USER MOD Single : A 50 GLN :FLIP amide:sc= -0.491 F(o=-2.9!,f=-0.49) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= 0.239 X(o=0.24,f=-0.24) USER MOD Single : A 57 LYS NZ :NH3+ 161:sc= 0.945 (180deg=0.656) USER MOD Single : A 62 TYR OH : rot 180:sc= 0.572 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.0192 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -163:sc= 1.21 (180deg=0.594) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 70:sc= 1.26 USER MOD Single : A 76 SER OG : rot 180:sc= 0.00592 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 80:sc= 1.23 USER MOD Single : B 10 LYS NZ :NH3+ 177:sc= 1.22 (180deg=1.16) USER MOD Single : B 15 LYS NZ :NH3+ -125:sc= 1.27 (180deg=0.454) USER MOD Single : B 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 19 SER OG : rot 79:sc= 0.394 USER MOD Single : B 25 LYS NZ :NH3+ -149:sc= -0.0984 (180deg=-0.646) USER MOD Single : B 26 LYS NZ :NH3+ -111:sc= 1.29 (180deg=-0.604) USER MOD Single : B 35 LYS NZ :NH3+ 165:sc= -0.0149 (180deg=-0.237) USER MOD Single : B 37 SER OG : rot 75:sc= 0.995 USER MOD Single : B 39 ASN : amide:sc=-0.00978 K(o=-0.0098,f=-0.52) USER MOD Single : B 42 SER OG : rot 66:sc= 1.28 USER MOD Single : B 44 LYS NZ :NH3+ -174:sc= 2.33 (180deg=2.17) USER MOD Single : B 46 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0503) USER MOD Single : B 47 THR OG1 : rot 92:sc= 1.19 USER MOD Single : B 50 GLN :FLIP amide:sc= 0 F(o=-0.5,f=0) USER MOD Single : B 54 LYS NZ :NH3+ 163:sc= -0.0106 (180deg=-0.162) USER MOD Single : B 56 ASN : amide:sc= 1.2 K(o=1.2,f=-0.0052) USER MOD Single : B 57 LYS NZ :NH3+ -135:sc= 0.303 (180deg=-1.25) USER MOD Single : B 62 TYR OH : rot 180:sc= 0.321 USER MOD Single : B 63 THR OG1 : rot 180:sc= 0.0366 USER MOD Single : B 64 TYR OH : rot 180:sc= 0 USER MOD Single : B 69 LYS NZ :NH3+ -163:sc= 1.28 (180deg=0.94) USER MOD Single : B 73 SER OG : rot 75:sc= 0.053 USER MOD Single : B 76 SER OG : rot 180:sc= -0.0625 USER MOD Single : B 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 80 LYS NZ :NH3+ 165:sc= -0.0533 (180deg=-0.301) USER MOD Single : B 84 THR OG1 : rot 60:sc= 0.96 USER MOD Single : B 86 SER OG : rot -177:sc= 0.552 USER MOD ----------------------------------------------------------------- ATOM 77 N GLN A 6 -21.687 14.395 -6.582 1.00 1.91 N ATOM 78 CA GLN A 6 -21.357 12.984 -6.714 1.00 1.87 C ATOM 79 C GLN A 6 -20.204 12.795 -7.695 1.00 1.83 C ATOM 80 O GLN A 6 -19.257 12.068 -7.414 1.00 1.77 O ATOM 81 CB GLN A 6 -22.577 12.193 -7.196 1.00 1.89 C ATOM 82 CG GLN A 6 -22.286 10.722 -7.477 1.00 1.95 C ATOM 83 CD GLN A 6 -23.192 10.136 -8.546 1.00 1.96 C ATOM 84 OE1 GLN A 6 -24.411 10.651 -8.647 1.00 2.22 O flip ATOM 85 NE2 GLN A 6 -22.798 9.224 -9.274 1.00 2.13 N flip ATOM 0 HA GLN A 6 -21.055 12.612 -5.735 1.00 1.87 H new ATOM 0 HB2 GLN A 6 -23.363 12.261 -6.444 1.00 1.89 H new ATOM 0 HB3 GLN A 6 -22.964 12.657 -8.103 1.00 1.89 H new ATOM 0 HG2 GLN A 6 -21.247 10.615 -7.789 1.00 1.95 H new ATOM 0 HG3 GLN A 6 -22.402 10.151 -6.556 1.00 1.95 H new ATOM 0 HE21 GLN A 6 -21.853 8.856 -9.164 1.00 2.13 H new ATOM 0 HE22 GLN A 6 -23.417 8.837 -9.987 1.00 2.13 H new ATOM 94 N THR A 7 -20.280 13.472 -8.838 1.00 1.86 N ATOM 95 CA THR A 7 -19.249 13.352 -9.861 1.00 1.83 C ATOM 96 C THR A 7 -17.926 13.957 -9.399 1.00 1.79 C ATOM 97 O THR A 7 -16.858 13.396 -9.646 1.00 1.71 O ATOM 98 CB THR A 7 -19.683 14.024 -11.176 1.00 1.88 C ATOM 99 OG1 THR A 7 -21.025 14.520 -11.053 1.00 2.15 O ATOM 100 CG2 THR A 7 -19.607 13.043 -12.338 1.00 1.95 C ATOM 0 H THR A 7 -21.042 14.106 -9.077 1.00 1.86 H new ATOM 0 HA THR A 7 -19.106 12.286 -10.036 1.00 1.83 H new ATOM 0 HB THR A 7 -19.004 14.853 -11.375 1.00 1.88 H new ATOM 0 HG1 THR A 7 -21.294 14.948 -11.893 1.00 2.15 H new ATOM 0 HG21 THR A 7 -19.919 13.541 -13.256 1.00 1.95 H new ATOM 0 HG22 THR A 7 -18.582 12.688 -12.448 1.00 1.95 H new ATOM 0 HG23 THR A 7 -20.266 12.197 -12.143 1.00 1.95 H new ATOM 108 N ARG A 8 -18.005 15.089 -8.710 1.00 1.84 N ATOM 109 CA ARG A 8 -16.813 15.772 -8.225 1.00 1.82 C ATOM 110 C ARG A 8 -16.102 14.959 -7.143 1.00 1.75 C ATOM 111 O ARG A 8 -14.885 14.822 -7.173 1.00 1.69 O ATOM 112 CB ARG A 8 -17.176 17.162 -7.691 1.00 1.94 C ATOM 113 CG ARG A 8 -15.973 18.010 -7.290 1.00 2.03 C ATOM 114 CD ARG A 8 -14.933 18.090 -8.403 1.00 2.06 C ATOM 115 NE ARG A 8 -15.521 18.467 -9.689 1.00 2.06 N ATOM 116 CZ ARG A 8 -15.335 17.790 -10.826 1.00 2.08 C ATOM 117 NH1 ARG A 8 -14.559 16.710 -10.847 1.00 2.10 N ATOM 118 NH2 ARG A 8 -15.921 18.201 -11.942 1.00 2.22 N ATOM 0 H ARG A 8 -18.882 15.553 -8.475 1.00 1.84 H new ATOM 0 HA ARG A 8 -16.127 15.881 -9.065 1.00 1.82 H new ATOM 0 HB2 ARG A 8 -17.745 17.695 -8.453 1.00 1.94 H new ATOM 0 HB3 ARG A 8 -17.830 17.048 -6.827 1.00 1.94 H new ATOM 0 HG2 ARG A 8 -16.307 19.015 -7.034 1.00 2.03 H new ATOM 0 HG3 ARG A 8 -15.515 17.589 -6.395 1.00 2.03 H new ATOM 0 HD2 ARG A 8 -14.167 18.816 -8.130 1.00 2.06 H new ATOM 0 HD3 ARG A 8 -14.436 17.125 -8.503 1.00 2.06 H new ATOM 0 HE ARG A 8 -16.110 19.299 -9.719 1.00 2.06 H new ATOM 0 HH11 ARG A 8 -14.102 16.394 -9.992 1.00 2.10 H new ATOM 0 HH12 ARG A 8 -14.421 16.198 -11.718 1.00 2.10 H new ATOM 0 HH21 ARG A 8 -16.512 19.032 -11.931 1.00 2.22 H new ATOM 0 HH22 ARG A 8 -15.781 17.686 -12.811 1.00 2.22 H new ATOM 132 N ASN A 9 -16.859 14.420 -6.198 1.00 1.76 N ATOM 133 CA ASN A 9 -16.279 13.628 -5.112 1.00 1.72 C ATOM 134 C ASN A 9 -15.720 12.304 -5.637 1.00 1.61 C ATOM 135 O ASN A 9 -14.608 11.903 -5.296 1.00 1.56 O ATOM 136 CB ASN A 9 -17.335 13.367 -4.031 1.00 1.78 C ATOM 137 CG ASN A 9 -16.831 12.463 -2.919 1.00 1.75 C ATOM 138 OD1 ASN A 9 -16.955 11.241 -2.994 1.00 1.75 O ATOM 139 ND2 ASN A 9 -16.273 13.058 -1.875 1.00 1.84 N ATOM 0 H ASN A 9 -17.874 14.514 -6.157 1.00 1.76 H new ATOM 0 HA ASN A 9 -15.455 14.194 -4.677 1.00 1.72 H new ATOM 0 HB2 ASN A 9 -17.653 14.318 -3.603 1.00 1.78 H new ATOM 0 HB3 ASN A 9 -18.214 12.914 -4.490 1.00 1.78 H new ATOM 0 HD21 ASN A 9 -15.927 12.500 -1.094 1.00 1.84 H new ATOM 0 HD22 ASN A 9 -16.189 14.074 -1.852 1.00 1.84 H new ATOM 146 N LYS A 10 -16.499 11.655 -6.493 1.00 1.60 N ATOM 147 CA LYS A 10 -16.129 10.375 -7.079 1.00 1.52 C ATOM 148 C LYS A 10 -14.805 10.463 -7.835 1.00 1.47 C ATOM 149 O LYS A 10 -13.947 9.589 -7.701 1.00 1.41 O ATOM 150 CB LYS A 10 -17.244 9.909 -8.019 1.00 1.53 C ATOM 151 CG LYS A 10 -17.197 8.431 -8.365 1.00 1.59 C ATOM 152 CD LYS A 10 -17.425 7.546 -7.146 1.00 1.70 C ATOM 153 CE LYS A 10 -16.122 6.997 -6.583 1.00 2.07 C ATOM 154 NZ LYS A 10 -15.032 7.000 -7.594 1.00 2.48 N ATOM 0 H LYS A 10 -17.407 12.003 -6.801 1.00 1.60 H new ATOM 0 HA LYS A 10 -15.997 9.653 -6.273 1.00 1.52 H new ATOM 0 HB2 LYS A 10 -18.207 10.131 -7.559 1.00 1.53 H new ATOM 0 HB3 LYS A 10 -17.190 10.487 -8.941 1.00 1.53 H new ATOM 0 HG2 LYS A 10 -17.954 8.212 -9.118 1.00 1.59 H new ATOM 0 HG3 LYS A 10 -16.230 8.194 -8.808 1.00 1.59 H new ATOM 0 HD2 LYS A 10 -17.940 8.119 -6.374 1.00 1.70 H new ATOM 0 HD3 LYS A 10 -18.079 6.718 -7.418 1.00 1.70 H new ATOM 0 HE2 LYS A 10 -15.819 7.593 -5.722 1.00 2.07 H new ATOM 0 HE3 LYS A 10 -16.282 5.980 -6.226 1.00 2.07 H new ATOM 0 HZ1 LYS A 10 -14.230 6.439 -7.242 1.00 2.48 H new ATOM 0 HZ2 LYS A 10 -15.381 6.586 -8.482 1.00 2.48 H new ATOM 0 HZ3 LYS A 10 -14.721 7.977 -7.767 1.00 2.48 H new ATOM 168 N GLU A 11 -14.646 11.520 -8.620 1.00 1.52 N ATOM 169 CA GLU A 11 -13.434 11.722 -9.400 1.00 1.50 C ATOM 170 C GLU A 11 -12.261 12.099 -8.498 1.00 1.45 C ATOM 171 O GLU A 11 -11.132 11.656 -8.716 1.00 1.38 O ATOM 172 CB GLU A 11 -13.666 12.818 -10.439 1.00 1.58 C ATOM 173 CG GLU A 11 -12.533 12.965 -11.437 1.00 1.63 C ATOM 174 CD GLU A 11 -12.531 14.325 -12.091 1.00 1.77 C ATOM 175 OE1 GLU A 11 -13.495 14.632 -12.822 1.00 1.96 O ATOM 176 OE2 GLU A 11 -11.581 15.104 -11.861 1.00 1.90 O ATOM 0 H GLU A 11 -15.345 12.254 -8.733 1.00 1.52 H new ATOM 0 HA GLU A 11 -13.189 10.788 -9.905 1.00 1.50 H new ATOM 0 HB2 GLU A 11 -14.588 12.604 -10.979 1.00 1.58 H new ATOM 0 HB3 GLU A 11 -13.811 13.768 -9.925 1.00 1.58 H new ATOM 0 HG2 GLU A 11 -11.581 12.804 -10.931 1.00 1.63 H new ATOM 0 HG3 GLU A 11 -12.622 12.194 -12.203 1.00 1.63 H new ATOM 183 N LEU A 12 -12.546 12.904 -7.481 1.00 1.51 N ATOM 184 CA LEU A 12 -11.528 13.368 -6.544 1.00 1.50 C ATOM 185 C LEU A 12 -10.776 12.199 -5.910 1.00 1.40 C ATOM 186 O LEU A 12 -9.562 12.071 -6.082 1.00 1.33 O ATOM 187 CB LEU A 12 -12.172 14.243 -5.459 1.00 1.62 C ATOM 188 CG LEU A 12 -11.208 14.852 -4.431 1.00 1.65 C ATOM 189 CD1 LEU A 12 -10.260 15.838 -5.089 1.00 1.69 C ATOM 190 CD2 LEU A 12 -11.984 15.533 -3.315 1.00 1.82 C ATOM 0 H LEU A 12 -13.484 13.252 -7.283 1.00 1.51 H new ATOM 0 HA LEU A 12 -10.804 13.963 -7.100 1.00 1.50 H new ATOM 0 HB2 LEU A 12 -12.713 15.054 -5.947 1.00 1.62 H new ATOM 0 HB3 LEU A 12 -12.910 13.643 -4.926 1.00 1.62 H new ATOM 0 HG LEU A 12 -10.615 14.043 -4.005 1.00 1.65 H new ATOM 0 HD11 LEU A 12 -9.589 16.254 -4.338 1.00 1.69 H new ATOM 0 HD12 LEU A 12 -9.676 15.326 -5.854 1.00 1.69 H new ATOM 0 HD13 LEU A 12 -10.834 16.643 -5.548 1.00 1.69 H new ATOM 0 HD21 LEU A 12 -11.286 15.960 -2.594 1.00 1.82 H new ATOM 0 HD22 LEU A 12 -12.603 16.326 -3.734 1.00 1.82 H new ATOM 0 HD23 LEU A 12 -12.620 14.802 -2.815 1.00 1.82 H new ATOM 202 N LEU A 13 -11.495 11.328 -5.212 1.00 1.41 N ATOM 203 CA LEU A 13 -10.869 10.189 -4.548 1.00 1.35 C ATOM 204 C LEU A 13 -10.266 9.213 -5.563 1.00 1.23 C ATOM 205 O LEU A 13 -9.299 8.512 -5.260 1.00 1.18 O ATOM 206 CB LEU A 13 -11.868 9.473 -3.625 1.00 1.43 C ATOM 207 CG LEU A 13 -13.070 8.816 -4.311 1.00 1.43 C ATOM 208 CD1 LEU A 13 -12.868 7.312 -4.412 1.00 1.81 C ATOM 209 CD2 LEU A 13 -14.350 9.131 -3.549 1.00 1.76 C ATOM 0 H LEU A 13 -12.506 11.387 -5.091 1.00 1.41 H new ATOM 0 HA LEU A 13 -10.055 10.572 -3.933 1.00 1.35 H new ATOM 0 HB2 LEU A 13 -11.330 8.706 -3.067 1.00 1.43 H new ATOM 0 HB3 LEU A 13 -12.240 10.194 -2.898 1.00 1.43 H new ATOM 0 HG LEU A 13 -13.158 9.220 -5.320 1.00 1.43 H new ATOM 0 HD11 LEU A 13 -13.731 6.861 -4.902 1.00 1.81 H new ATOM 0 HD12 LEU A 13 -11.970 7.104 -4.994 1.00 1.81 H new ATOM 0 HD13 LEU A 13 -12.758 6.892 -3.412 1.00 1.81 H new ATOM 0 HD21 LEU A 13 -15.196 8.658 -4.048 1.00 1.76 H new ATOM 0 HD22 LEU A 13 -14.270 8.751 -2.531 1.00 1.76 H new ATOM 0 HD23 LEU A 13 -14.502 10.210 -3.523 1.00 1.76 H new ATOM 221 N LEU A 14 -10.825 9.184 -6.769 1.00 1.21 N ATOM 222 CA LEU A 14 -10.330 8.298 -7.820 1.00 1.13 C ATOM 223 C LEU A 14 -8.897 8.663 -8.198 1.00 1.11 C ATOM 224 O LEU A 14 -8.013 7.805 -8.240 1.00 1.04 O ATOM 225 CB LEU A 14 -11.237 8.383 -9.052 1.00 1.16 C ATOM 226 CG LEU A 14 -10.721 7.666 -10.305 1.00 1.09 C ATOM 227 CD1 LEU A 14 -10.885 6.157 -10.174 1.00 1.11 C ATOM 228 CD2 LEU A 14 -11.444 8.182 -11.538 1.00 1.23 C ATOM 0 H LEU A 14 -11.619 9.762 -7.043 1.00 1.21 H new ATOM 0 HA LEU A 14 -10.339 7.275 -7.443 1.00 1.13 H new ATOM 0 HB2 LEU A 14 -12.211 7.968 -8.793 1.00 1.16 H new ATOM 0 HB3 LEU A 14 -11.392 9.434 -9.295 1.00 1.16 H new ATOM 0 HG LEU A 14 -9.657 7.878 -10.411 1.00 1.09 H new ATOM 0 HD11 LEU A 14 -10.512 5.671 -11.075 1.00 1.11 H new ATOM 0 HD12 LEU A 14 -10.321 5.803 -9.311 1.00 1.11 H new ATOM 0 HD13 LEU A 14 -11.940 5.916 -10.042 1.00 1.11 H new ATOM 0 HD21 LEU A 14 -11.070 7.666 -12.422 1.00 1.23 H new ATOM 0 HD22 LEU A 14 -12.514 7.998 -11.436 1.00 1.23 H new ATOM 0 HD23 LEU A 14 -11.268 9.253 -11.641 1.00 1.23 H new ATOM 240 N LYS A 15 -8.674 9.945 -8.447 1.00 1.19 N ATOM 241 CA LYS A 15 -7.356 10.427 -8.826 1.00 1.19 C ATOM 242 C LYS A 15 -6.410 10.425 -7.631 1.00 1.14 C ATOM 243 O LYS A 15 -5.203 10.262 -7.796 1.00 1.09 O ATOM 244 CB LYS A 15 -7.454 11.826 -9.429 1.00 1.32 C ATOM 245 CG LYS A 15 -8.056 11.834 -10.824 1.00 1.56 C ATOM 246 CD LYS A 15 -8.934 13.055 -11.052 1.00 1.68 C ATOM 247 CE LYS A 15 -8.111 14.322 -11.208 1.00 1.70 C ATOM 248 NZ LYS A 15 -8.967 15.539 -11.211 1.00 1.93 N ATOM 0 H LYS A 15 -9.390 10.670 -8.393 1.00 1.19 H new ATOM 0 HA LYS A 15 -6.950 9.751 -9.579 1.00 1.19 H new ATOM 0 HB2 LYS A 15 -8.058 12.455 -8.776 1.00 1.32 H new ATOM 0 HB3 LYS A 15 -6.459 12.269 -9.467 1.00 1.32 H new ATOM 0 HG2 LYS A 15 -7.257 11.817 -11.565 1.00 1.56 H new ATOM 0 HG3 LYS A 15 -8.646 10.929 -10.971 1.00 1.56 H new ATOM 0 HD2 LYS A 15 -9.541 12.904 -11.945 1.00 1.68 H new ATOM 0 HD3 LYS A 15 -9.622 13.169 -10.214 1.00 1.68 H new ATOM 0 HE2 LYS A 15 -7.388 14.388 -10.395 1.00 1.70 H new ATOM 0 HE3 LYS A 15 -7.543 14.275 -12.137 1.00 1.70 H new ATOM 0 HZ1 LYS A 15 -8.582 16.232 -11.884 1.00 1.93 H new ATOM 0 HZ2 LYS A 15 -9.934 15.282 -11.493 1.00 1.93 H new ATOM 0 HZ3 LYS A 15 -8.983 15.954 -10.258 1.00 1.93 H new ATOM 262 N LYS A 16 -6.956 10.595 -6.431 1.00 1.17 N ATOM 263 CA LYS A 16 -6.138 10.595 -5.226 1.00 1.16 C ATOM 264 C LYS A 16 -5.456 9.244 -5.044 1.00 1.04 C ATOM 265 O LYS A 16 -4.284 9.176 -4.686 1.00 1.05 O ATOM 266 CB LYS A 16 -6.977 10.914 -3.983 1.00 1.26 C ATOM 267 CG LYS A 16 -7.499 12.348 -3.919 1.00 1.32 C ATOM 268 CD LYS A 16 -6.378 13.376 -3.928 1.00 1.30 C ATOM 269 CE LYS A 16 -5.483 13.251 -2.706 1.00 1.50 C ATOM 270 NZ LYS A 16 -4.461 14.333 -2.654 1.00 1.62 N ATOM 0 H LYS A 16 -7.953 10.733 -6.269 1.00 1.17 H new ATOM 0 HA LYS A 16 -5.381 11.371 -5.344 1.00 1.16 H new ATOM 0 HB2 LYS A 16 -7.825 10.231 -3.948 1.00 1.26 H new ATOM 0 HB3 LYS A 16 -6.375 10.720 -3.095 1.00 1.26 H new ATOM 0 HG2 LYS A 16 -8.160 12.529 -4.766 1.00 1.32 H new ATOM 0 HG3 LYS A 16 -8.096 12.474 -3.016 1.00 1.32 H new ATOM 0 HD2 LYS A 16 -5.779 13.252 -4.830 1.00 1.30 H new ATOM 0 HD3 LYS A 16 -6.805 14.378 -3.964 1.00 1.30 H new ATOM 0 HE2 LYS A 16 -6.094 13.285 -1.804 1.00 1.50 H new ATOM 0 HE3 LYS A 16 -4.985 12.281 -2.718 1.00 1.50 H new ATOM 0 HZ1 LYS A 16 -3.871 14.213 -1.806 1.00 1.62 H new ATOM 0 HZ2 LYS A 16 -3.862 14.286 -3.503 1.00 1.62 H new ATOM 0 HZ3 LYS A 16 -4.936 15.258 -2.617 1.00 1.62 H new ATOM 284 N ILE A 17 -6.201 8.174 -5.302 1.00 0.96 N ATOM 285 CA ILE A 17 -5.676 6.820 -5.164 1.00 0.88 C ATOM 286 C ILE A 17 -4.744 6.478 -6.321 1.00 0.85 C ATOM 287 O ILE A 17 -3.764 5.752 -6.144 1.00 0.83 O ATOM 288 CB ILE A 17 -6.828 5.791 -5.065 1.00 0.85 C ATOM 289 CG1 ILE A 17 -7.627 6.043 -3.783 1.00 1.01 C ATOM 290 CG2 ILE A 17 -6.296 4.364 -5.091 1.00 0.89 C ATOM 291 CD1 ILE A 17 -8.957 5.324 -3.728 1.00 1.02 C ATOM 0 H ILE A 17 -7.173 8.219 -5.609 1.00 0.96 H new ATOM 0 HA ILE A 17 -5.099 6.774 -4.240 1.00 0.88 H new ATOM 0 HB ILE A 17 -7.481 5.914 -5.929 1.00 0.85 H new ATOM 0 HG12 ILE A 17 -7.025 5.736 -2.927 1.00 1.01 H new ATOM 0 HG13 ILE A 17 -7.802 7.114 -3.682 1.00 1.01 H new ATOM 0 HG21 ILE A 17 -7.128 3.664 -5.020 1.00 0.89 H new ATOM 0 HG22 ILE A 17 -5.757 4.194 -6.023 1.00 0.89 H new ATOM 0 HG23 ILE A 17 -5.621 4.212 -4.249 1.00 0.89 H new ATOM 0 HD11 ILE A 17 -9.458 5.557 -2.788 1.00 1.02 H new ATOM 0 HD12 ILE A 17 -9.581 5.648 -4.561 1.00 1.02 H new ATOM 0 HD13 ILE A 17 -8.792 4.249 -3.795 1.00 1.02 H new ATOM 303 N ASP A 18 -5.029 7.030 -7.495 1.00 0.90 N ATOM 304 CA ASP A 18 -4.200 6.783 -8.672 1.00 0.93 C ATOM 305 C ASP A 18 -2.775 7.272 -8.426 1.00 0.93 C ATOM 306 O ASP A 18 -1.804 6.549 -8.653 1.00 0.93 O ATOM 307 CB ASP A 18 -4.783 7.473 -9.908 1.00 1.04 C ATOM 308 CG ASP A 18 -4.043 7.097 -11.177 1.00 1.20 C ATOM 309 OD1 ASP A 18 -4.372 6.050 -11.776 1.00 1.62 O ATOM 310 OD2 ASP A 18 -3.122 7.838 -11.580 1.00 1.66 O ATOM 0 H ASP A 18 -5.823 7.649 -7.658 1.00 0.90 H new ATOM 0 HA ASP A 18 -4.183 5.709 -8.854 1.00 0.93 H new ATOM 0 HB2 ASP A 18 -5.835 7.205 -10.010 1.00 1.04 H new ATOM 0 HB3 ASP A 18 -4.742 8.554 -9.772 1.00 1.04 H new ATOM 315 N SER A 19 -2.663 8.502 -7.945 1.00 0.99 N ATOM 316 CA SER A 19 -1.370 9.096 -7.644 1.00 1.03 C ATOM 317 C SER A 19 -0.737 8.410 -6.433 1.00 0.96 C ATOM 318 O SER A 19 0.488 8.323 -6.321 1.00 0.96 O ATOM 319 CB SER A 19 -1.525 10.593 -7.374 1.00 1.17 C ATOM 320 OG SER A 19 -2.273 11.229 -8.400 1.00 1.28 O ATOM 0 H SER A 19 -3.459 9.111 -7.754 1.00 0.99 H new ATOM 0 HA SER A 19 -0.718 8.958 -8.506 1.00 1.03 H new ATOM 0 HB2 SER A 19 -2.020 10.742 -6.415 1.00 1.17 H new ATOM 0 HB3 SER A 19 -0.540 11.055 -7.300 1.00 1.17 H new ATOM 0 HG SER A 19 -3.222 11.005 -8.300 1.00 1.28 H new ATOM 326 N LEU A 20 -1.594 7.928 -5.539 1.00 0.92 N ATOM 327 CA LEU A 20 -1.173 7.260 -4.316 1.00 0.90 C ATOM 328 C LEU A 20 -0.242 6.085 -4.614 1.00 0.84 C ATOM 329 O LEU A 20 0.866 6.011 -4.079 1.00 0.86 O ATOM 330 CB LEU A 20 -2.421 6.786 -3.564 1.00 0.92 C ATOM 331 CG LEU A 20 -2.188 6.194 -2.183 1.00 1.01 C ATOM 332 CD1 LEU A 20 -2.314 7.274 -1.125 1.00 1.37 C ATOM 333 CD2 LEU A 20 -3.172 5.066 -1.933 1.00 1.14 C ATOM 0 H LEU A 20 -2.607 7.991 -5.645 1.00 0.92 H new ATOM 0 HA LEU A 20 -0.612 7.962 -3.699 1.00 0.90 H new ATOM 0 HB2 LEU A 20 -3.102 7.631 -3.464 1.00 0.92 H new ATOM 0 HB3 LEU A 20 -2.927 6.039 -4.176 1.00 0.92 H new ATOM 0 HG LEU A 20 -1.179 5.786 -2.130 1.00 1.01 H new ATOM 0 HD11 LEU A 20 -2.145 6.840 -0.140 1.00 1.37 H new ATOM 0 HD12 LEU A 20 -1.574 8.053 -1.310 1.00 1.37 H new ATOM 0 HD13 LEU A 20 -3.314 7.707 -1.164 1.00 1.37 H new ATOM 0 HD21 LEU A 20 -3.000 4.646 -0.942 1.00 1.14 H new ATOM 0 HD22 LEU A 20 -4.190 5.451 -1.992 1.00 1.14 H new ATOM 0 HD23 LEU A 20 -3.034 4.289 -2.685 1.00 1.14 H new ATOM 345 N ILE A 21 -0.672 5.192 -5.500 1.00 0.80 N ATOM 346 CA ILE A 21 0.137 4.027 -5.857 1.00 0.79 C ATOM 347 C ILE A 21 1.384 4.434 -6.637 1.00 0.81 C ATOM 348 O ILE A 21 2.408 3.750 -6.582 1.00 0.83 O ATOM 349 CB ILE A 21 -0.664 2.974 -6.658 1.00 0.81 C ATOM 350 CG1 ILE A 21 -1.652 3.635 -7.628 1.00 1.06 C ATOM 351 CG2 ILE A 21 -1.389 2.039 -5.701 1.00 1.04 C ATOM 352 CD1 ILE A 21 -2.444 2.643 -8.457 1.00 1.23 C ATOM 0 H ILE A 21 -1.569 5.250 -5.982 1.00 0.80 H new ATOM 0 HA ILE A 21 0.441 3.569 -4.916 1.00 0.79 H new ATOM 0 HB ILE A 21 0.038 2.395 -7.258 1.00 0.81 H new ATOM 0 HG12 ILE A 21 -2.345 4.256 -7.061 1.00 1.06 H new ATOM 0 HG13 ILE A 21 -1.103 4.298 -8.297 1.00 1.06 H new ATOM 0 HG21 ILE A 21 -1.951 1.300 -6.271 1.00 1.04 H new ATOM 0 HG22 ILE A 21 -0.662 1.532 -5.067 1.00 1.04 H new ATOM 0 HG23 ILE A 21 -2.074 2.615 -5.079 1.00 1.04 H new ATOM 0 HD11 ILE A 21 -3.122 3.182 -9.119 1.00 1.23 H new ATOM 0 HD12 ILE A 21 -1.760 2.038 -9.052 1.00 1.23 H new ATOM 0 HD13 ILE A 21 -3.021 1.995 -7.797 1.00 1.23 H new ATOM 364 N GLU A 22 1.304 5.557 -7.348 1.00 0.84 N ATOM 365 CA GLU A 22 2.441 6.059 -8.117 1.00 0.90 C ATOM 366 C GLU A 22 3.576 6.454 -7.181 1.00 0.90 C ATOM 367 O GLU A 22 4.746 6.201 -7.461 1.00 0.93 O ATOM 368 CB GLU A 22 2.044 7.270 -8.965 1.00 0.98 C ATOM 369 CG GLU A 22 1.102 6.951 -10.114 1.00 1.29 C ATOM 370 CD GLU A 22 1.008 8.093 -11.105 1.00 1.78 C ATOM 371 OE1 GLU A 22 1.143 9.263 -10.681 1.00 2.29 O ATOM 372 OE2 GLU A 22 0.819 7.834 -12.313 1.00 2.22 O ATOM 0 H GLU A 22 0.466 6.135 -7.408 1.00 0.84 H new ATOM 0 HA GLU A 22 2.771 5.260 -8.780 1.00 0.90 H new ATOM 0 HB2 GLU A 22 1.572 8.011 -8.320 1.00 0.98 H new ATOM 0 HB3 GLU A 22 2.947 7.728 -9.368 1.00 0.98 H new ATOM 0 HG2 GLU A 22 1.447 6.053 -10.627 1.00 1.29 H new ATOM 0 HG3 GLU A 22 0.110 6.731 -9.719 1.00 1.29 H new ATOM 379 N ALA A 23 3.216 7.064 -6.057 1.00 0.89 N ATOM 380 CA ALA A 23 4.197 7.494 -5.072 1.00 0.92 C ATOM 381 C ALA A 23 4.901 6.296 -4.447 1.00 0.88 C ATOM 382 O ALA A 23 6.127 6.276 -4.343 1.00 0.89 O ATOM 383 CB ALA A 23 3.532 8.346 -4.003 1.00 0.94 C ATOM 0 H ALA A 23 2.249 7.271 -5.807 1.00 0.89 H new ATOM 0 HA ALA A 23 4.950 8.098 -5.578 1.00 0.92 H new ATOM 0 HB1 ALA A 23 4.277 8.661 -3.273 1.00 0.94 H new ATOM 0 HB2 ALA A 23 3.083 9.225 -4.465 1.00 0.94 H new ATOM 0 HB3 ALA A 23 2.758 7.764 -3.503 1.00 0.94 H new ATOM 389 N ILE A 24 4.120 5.293 -4.048 1.00 0.86 N ATOM 390 CA ILE A 24 4.676 4.082 -3.448 1.00 0.85 C ATOM 391 C ILE A 24 5.641 3.412 -4.428 1.00 0.83 C ATOM 392 O ILE A 24 6.720 2.951 -4.048 1.00 0.83 O ATOM 393 CB ILE A 24 3.556 3.090 -3.027 1.00 0.87 C ATOM 394 CG1 ILE A 24 3.010 3.456 -1.642 1.00 1.12 C ATOM 395 CG2 ILE A 24 4.051 1.647 -3.027 1.00 1.03 C ATOM 396 CD1 ILE A 24 1.724 4.254 -1.679 1.00 1.05 C ATOM 0 H ILE A 24 3.103 5.295 -4.129 1.00 0.86 H new ATOM 0 HA ILE A 24 5.219 4.368 -2.547 1.00 0.85 H new ATOM 0 HB ILE A 24 2.755 3.170 -3.762 1.00 0.87 H new ATOM 0 HG12 ILE A 24 2.841 2.540 -1.076 1.00 1.12 H new ATOM 0 HG13 ILE A 24 3.766 4.029 -1.104 1.00 1.12 H new ATOM 0 HG21 ILE A 24 3.239 0.984 -2.727 1.00 1.03 H new ATOM 0 HG22 ILE A 24 4.389 1.378 -4.028 1.00 1.03 H new ATOM 0 HG23 ILE A 24 4.879 1.546 -2.326 1.00 1.03 H new ATOM 0 HD11 ILE A 24 1.403 4.473 -0.661 1.00 1.05 H new ATOM 0 HD12 ILE A 24 1.891 5.188 -2.216 1.00 1.05 H new ATOM 0 HD13 ILE A 24 0.952 3.676 -2.187 1.00 1.05 H new ATOM 408 N LYS A 25 5.254 3.387 -5.698 1.00 0.83 N ATOM 409 CA LYS A 25 6.077 2.786 -6.736 1.00 0.84 C ATOM 410 C LYS A 25 7.350 3.599 -6.965 1.00 0.86 C ATOM 411 O LYS A 25 8.386 3.055 -7.330 1.00 0.86 O ATOM 412 CB LYS A 25 5.291 2.673 -8.043 1.00 0.88 C ATOM 413 CG LYS A 25 5.835 1.615 -8.992 1.00 0.96 C ATOM 414 CD LYS A 25 5.564 0.208 -8.485 1.00 1.13 C ATOM 415 CE LYS A 25 6.289 -0.836 -9.324 1.00 1.39 C ATOM 416 NZ LYS A 25 5.859 -0.808 -10.749 1.00 1.61 N ATOM 0 H LYS A 25 4.373 3.777 -6.032 1.00 0.83 H new ATOM 0 HA LYS A 25 6.359 1.787 -6.403 1.00 0.84 H new ATOM 0 HB2 LYS A 25 4.251 2.442 -7.813 1.00 0.88 H new ATOM 0 HB3 LYS A 25 5.299 3.640 -8.547 1.00 0.88 H new ATOM 0 HG2 LYS A 25 5.381 1.741 -9.975 1.00 0.96 H new ATOM 0 HG3 LYS A 25 6.909 1.756 -9.116 1.00 0.96 H new ATOM 0 HD2 LYS A 25 5.883 0.127 -7.446 1.00 1.13 H new ATOM 0 HD3 LYS A 25 4.492 0.013 -8.506 1.00 1.13 H new ATOM 0 HE2 LYS A 25 7.364 -0.663 -9.267 1.00 1.39 H new ATOM 0 HE3 LYS A 25 6.103 -1.827 -8.909 1.00 1.39 H new ATOM 0 HZ1 LYS A 25 6.301 -1.599 -11.260 1.00 1.61 H new ATOM 0 HZ2 LYS A 25 4.824 -0.897 -10.801 1.00 1.61 H new ATOM 0 HZ3 LYS A 25 6.152 0.091 -11.182 1.00 1.61 H new ATOM 430 N LYS A 26 7.257 4.906 -6.763 1.00 0.87 N ATOM 431 CA LYS A 26 8.404 5.789 -6.938 1.00 0.91 C ATOM 432 C LYS A 26 9.423 5.588 -5.825 1.00 0.90 C ATOM 433 O LYS A 26 10.624 5.561 -6.075 1.00 0.91 O ATOM 434 CB LYS A 26 7.959 7.253 -6.978 1.00 0.97 C ATOM 435 CG LYS A 26 7.827 7.802 -8.391 1.00 1.07 C ATOM 436 CD LYS A 26 9.178 7.954 -9.075 1.00 1.21 C ATOM 437 CE LYS A 26 9.984 9.096 -8.478 1.00 1.35 C ATOM 438 NZ LYS A 26 11.304 9.250 -9.145 1.00 1.42 N ATOM 0 H LYS A 26 6.400 5.379 -6.478 1.00 0.87 H new ATOM 0 HA LYS A 26 8.874 5.537 -7.889 1.00 0.91 H new ATOM 0 HB2 LYS A 26 7.001 7.349 -6.467 1.00 0.97 H new ATOM 0 HB3 LYS A 26 8.677 7.859 -6.425 1.00 0.97 H new ATOM 0 HG2 LYS A 26 7.196 7.137 -8.980 1.00 1.07 H new ATOM 0 HG3 LYS A 26 7.327 8.770 -8.358 1.00 1.07 H new ATOM 0 HD2 LYS A 26 9.740 7.024 -8.982 1.00 1.21 H new ATOM 0 HD3 LYS A 26 9.029 8.131 -10.140 1.00 1.21 H new ATOM 0 HE2 LYS A 26 9.421 10.025 -8.569 1.00 1.35 H new ATOM 0 HE3 LYS A 26 10.134 8.917 -7.413 1.00 1.35 H new ATOM 0 HZ1 LYS A 26 11.837 10.017 -8.687 1.00 1.42 H new ATOM 0 HZ2 LYS A 26 11.839 8.361 -9.066 1.00 1.42 H new ATOM 0 HZ3 LYS A 26 11.161 9.480 -10.149 1.00 1.42 H new ATOM 452 N ILE A 27 8.931 5.440 -4.598 1.00 0.88 N ATOM 453 CA ILE A 27 9.801 5.241 -3.439 1.00 0.89 C ATOM 454 C ILE A 27 10.671 4.000 -3.623 1.00 0.87 C ATOM 455 O ILE A 27 11.886 4.049 -3.438 1.00 0.90 O ATOM 456 CB ILE A 27 8.990 5.103 -2.126 1.00 0.90 C ATOM 457 CG1 ILE A 27 8.142 6.357 -1.883 1.00 0.90 C ATOM 458 CG2 ILE A 27 9.921 4.855 -0.946 1.00 0.93 C ATOM 459 CD1 ILE A 27 7.349 6.320 -0.590 1.00 1.31 C ATOM 0 H ILE A 27 7.935 5.454 -4.379 1.00 0.88 H new ATOM 0 HA ILE A 27 10.434 6.125 -3.363 1.00 0.89 H new ATOM 0 HB ILE A 27 8.322 4.248 -2.224 1.00 0.90 H new ATOM 0 HG12 ILE A 27 8.795 7.229 -1.873 1.00 0.90 H new ATOM 0 HG13 ILE A 27 7.453 6.485 -2.717 1.00 0.90 H new ATOM 0 HG21 ILE A 27 9.334 4.761 -0.033 1.00 0.93 H new ATOM 0 HG22 ILE A 27 10.483 3.936 -1.113 1.00 0.93 H new ATOM 0 HG23 ILE A 27 10.614 5.691 -0.847 1.00 0.93 H new ATOM 0 HD11 ILE A 27 6.775 7.241 -0.489 1.00 1.31 H new ATOM 0 HD12 ILE A 27 6.669 5.468 -0.604 1.00 1.31 H new ATOM 0 HD13 ILE A 27 8.033 6.224 0.254 1.00 1.31 H new ATOM 471 N ILE A 28 10.040 2.895 -4.014 1.00 0.83 N ATOM 472 CA ILE A 28 10.759 1.643 -4.219 1.00 0.82 C ATOM 473 C ILE A 28 11.763 1.764 -5.372 1.00 0.83 C ATOM 474 O ILE A 28 12.831 1.153 -5.341 1.00 0.84 O ATOM 475 CB ILE A 28 9.795 0.449 -4.461 1.00 0.82 C ATOM 476 CG1 ILE A 28 10.514 -0.883 -4.219 1.00 0.88 C ATOM 477 CG2 ILE A 28 9.198 0.477 -5.859 1.00 0.88 C ATOM 478 CD1 ILE A 28 10.627 -1.251 -2.757 1.00 1.05 C ATOM 0 H ILE A 28 9.037 2.842 -4.194 1.00 0.83 H new ATOM 0 HA ILE A 28 11.309 1.441 -3.300 1.00 0.82 H new ATOM 0 HB ILE A 28 8.976 0.545 -3.749 1.00 0.82 H new ATOM 0 HG12 ILE A 28 9.981 -1.675 -4.745 1.00 0.88 H new ATOM 0 HG13 ILE A 28 11.514 -0.831 -4.651 1.00 0.88 H new ATOM 0 HG21 ILE A 28 8.530 -0.375 -5.987 1.00 0.88 H new ATOM 0 HG22 ILE A 28 8.637 1.402 -5.997 1.00 0.88 H new ATOM 0 HG23 ILE A 28 9.998 0.425 -6.597 1.00 0.88 H new ATOM 0 HD11 ILE A 28 11.146 -2.204 -2.661 1.00 1.05 H new ATOM 0 HD12 ILE A 28 11.186 -0.478 -2.229 1.00 1.05 H new ATOM 0 HD13 ILE A 28 9.630 -1.336 -2.325 1.00 1.05 H new ATOM 490 N ALA A 29 11.411 2.554 -6.387 1.00 0.84 N ATOM 491 CA ALA A 29 12.280 2.750 -7.543 1.00 0.87 C ATOM 492 C ALA A 29 13.557 3.476 -7.143 1.00 0.90 C ATOM 493 O ALA A 29 14.656 3.067 -7.512 1.00 0.93 O ATOM 494 CB ALA A 29 11.546 3.517 -8.633 1.00 0.90 C ATOM 0 H ALA A 29 10.531 3.067 -6.430 1.00 0.84 H new ATOM 0 HA ALA A 29 12.556 1.771 -7.934 1.00 0.87 H new ATOM 0 HB1 ALA A 29 12.207 3.655 -9.489 1.00 0.90 H new ATOM 0 HB2 ALA A 29 10.665 2.955 -8.943 1.00 0.90 H new ATOM 0 HB3 ALA A 29 11.240 4.490 -8.250 1.00 0.90 H new ATOM 500 N GLU A 30 13.402 4.548 -6.378 1.00 0.93 N ATOM 501 CA GLU A 30 14.550 5.325 -5.918 1.00 0.99 C ATOM 502 C GLU A 30 15.453 4.470 -5.038 1.00 0.99 C ATOM 503 O GLU A 30 16.671 4.631 -5.045 1.00 1.01 O ATOM 504 CB GLU A 30 14.104 6.567 -5.144 1.00 1.06 C ATOM 505 CG GLU A 30 13.152 7.467 -5.917 1.00 1.10 C ATOM 506 CD GLU A 30 13.614 7.748 -7.335 1.00 1.18 C ATOM 507 OE1 GLU A 30 14.664 8.396 -7.513 1.00 1.46 O ATOM 508 OE2 GLU A 30 12.916 7.330 -8.284 1.00 1.25 O ATOM 0 H GLU A 30 12.498 4.900 -6.063 1.00 0.93 H new ATOM 0 HA GLU A 30 15.105 5.647 -6.799 1.00 0.99 H new ATOM 0 HB2 GLU A 30 13.620 6.252 -4.219 1.00 1.06 H new ATOM 0 HB3 GLU A 30 14.985 7.143 -4.863 1.00 1.06 H new ATOM 0 HG2 GLU A 30 12.167 7.001 -5.948 1.00 1.10 H new ATOM 0 HG3 GLU A 30 13.042 8.411 -5.384 1.00 1.10 H new ATOM 515 N PHE A 31 14.843 3.558 -4.282 1.00 0.97 N ATOM 516 CA PHE A 31 15.576 2.670 -3.388 1.00 1.00 C ATOM 517 C PHE A 31 16.619 1.847 -4.141 1.00 0.97 C ATOM 518 O PHE A 31 17.781 1.788 -3.733 1.00 1.00 O ATOM 519 CB PHE A 31 14.608 1.734 -2.655 1.00 1.02 C ATOM 520 CG PHE A 31 14.261 2.183 -1.262 1.00 1.10 C ATOM 521 CD1 PHE A 31 13.767 3.457 -1.028 1.00 1.79 C ATOM 522 CD2 PHE A 31 14.419 1.325 -0.188 1.00 1.42 C ATOM 523 CE1 PHE A 31 13.441 3.867 0.251 1.00 1.98 C ATOM 524 CE2 PHE A 31 14.097 1.727 1.095 1.00 1.58 C ATOM 525 CZ PHE A 31 13.605 2.999 1.314 1.00 1.54 C ATOM 0 H PHE A 31 13.833 3.416 -4.273 1.00 0.97 H new ATOM 0 HA PHE A 31 16.097 3.294 -2.662 1.00 1.00 H new ATOM 0 HB2 PHE A 31 13.691 1.648 -3.237 1.00 1.02 H new ATOM 0 HB3 PHE A 31 15.049 0.738 -2.606 1.00 1.02 H new ATOM 0 HD1 PHE A 31 13.635 4.138 -1.856 1.00 1.79 H new ATOM 0 HD2 PHE A 31 14.799 0.328 -0.354 1.00 1.42 H new ATOM 0 HE1 PHE A 31 13.059 4.863 0.419 1.00 1.98 H new ATOM 0 HE2 PHE A 31 14.230 1.048 1.924 1.00 1.58 H new ATOM 0 HZ PHE A 31 13.349 3.315 2.315 1.00 1.54 H new ATOM 535 N ASP A 32 16.210 1.218 -5.243 1.00 0.93 N ATOM 536 CA ASP A 32 17.136 0.400 -6.022 1.00 0.92 C ATOM 537 C ASP A 32 18.188 1.275 -6.706 1.00 0.92 C ATOM 538 O ASP A 32 19.336 0.857 -6.884 1.00 0.93 O ATOM 539 CB ASP A 32 16.398 -0.497 -7.040 1.00 0.94 C ATOM 540 CG ASP A 32 15.804 0.236 -8.232 1.00 1.15 C ATOM 541 OD1 ASP A 32 16.571 0.742 -9.078 1.00 1.54 O ATOM 542 OD2 ASP A 32 14.560 0.272 -8.345 1.00 1.45 O ATOM 0 H ASP A 32 15.260 1.258 -5.611 1.00 0.93 H new ATOM 0 HA ASP A 32 17.649 -0.267 -5.329 1.00 0.92 H new ATOM 0 HB2 ASP A 32 17.093 -1.252 -7.407 1.00 0.94 H new ATOM 0 HB3 ASP A 32 15.598 -1.026 -6.522 1.00 0.94 H new ATOM 547 N VAL A 33 17.800 2.497 -7.055 1.00 0.93 N ATOM 548 CA VAL A 33 18.708 3.441 -7.699 1.00 0.95 C ATOM 549 C VAL A 33 19.782 3.901 -6.715 1.00 0.96 C ATOM 550 O VAL A 33 20.971 3.904 -7.035 1.00 0.97 O ATOM 551 CB VAL A 33 17.949 4.673 -8.250 1.00 0.99 C ATOM 552 CG1 VAL A 33 18.919 5.743 -8.728 1.00 1.06 C ATOM 553 CG2 VAL A 33 17.018 4.259 -9.382 1.00 0.98 C ATOM 0 H VAL A 33 16.859 2.859 -6.902 1.00 0.93 H new ATOM 0 HA VAL A 33 19.178 2.925 -8.536 1.00 0.95 H new ATOM 0 HB VAL A 33 17.353 5.093 -7.440 1.00 0.99 H new ATOM 0 HG11 VAL A 33 18.359 6.597 -9.110 1.00 1.06 H new ATOM 0 HG12 VAL A 33 19.547 6.063 -7.896 1.00 1.06 H new ATOM 0 HG13 VAL A 33 19.547 5.337 -9.521 1.00 1.06 H new ATOM 0 HG21 VAL A 33 16.491 5.136 -9.759 1.00 0.98 H new ATOM 0 HG22 VAL A 33 17.601 3.812 -10.187 1.00 0.98 H new ATOM 0 HG23 VAL A 33 16.295 3.533 -9.011 1.00 0.98 H new ATOM 563 N VAL A 34 19.351 4.273 -5.514 1.00 0.98 N ATOM 564 CA VAL A 34 20.265 4.732 -4.475 1.00 1.02 C ATOM 565 C VAL A 34 21.258 3.632 -4.103 1.00 1.02 C ATOM 566 O VAL A 34 22.432 3.904 -3.863 1.00 1.04 O ATOM 567 CB VAL A 34 19.500 5.212 -3.215 1.00 1.07 C ATOM 568 CG1 VAL A 34 20.449 5.434 -2.043 1.00 1.14 C ATOM 569 CG2 VAL A 34 18.734 6.492 -3.522 1.00 1.08 C ATOM 0 H VAL A 34 18.370 4.265 -5.236 1.00 0.98 H new ATOM 0 HA VAL A 34 20.816 5.582 -4.878 1.00 1.02 H new ATOM 0 HB VAL A 34 18.793 4.432 -2.932 1.00 1.07 H new ATOM 0 HG11 VAL A 34 19.882 5.770 -1.175 1.00 1.14 H new ATOM 0 HG12 VAL A 34 20.958 4.500 -1.805 1.00 1.14 H new ATOM 0 HG13 VAL A 34 21.186 6.191 -2.310 1.00 1.14 H new ATOM 0 HG21 VAL A 34 18.201 6.820 -2.630 1.00 1.08 H new ATOM 0 HG22 VAL A 34 19.433 7.269 -3.833 1.00 1.08 H new ATOM 0 HG23 VAL A 34 18.020 6.305 -4.324 1.00 1.08 H new ATOM 579 N LYS A 35 20.791 2.388 -4.086 1.00 1.00 N ATOM 580 CA LYS A 35 21.650 1.261 -3.755 1.00 1.02 C ATOM 581 C LYS A 35 22.819 1.187 -4.733 1.00 1.01 C ATOM 582 O LYS A 35 23.961 0.953 -4.342 1.00 1.04 O ATOM 583 CB LYS A 35 20.848 -0.049 -3.772 1.00 1.02 C ATOM 584 CG LYS A 35 21.696 -1.301 -3.575 1.00 1.06 C ATOM 585 CD LYS A 35 22.027 -1.967 -4.904 1.00 1.23 C ATOM 586 CE LYS A 35 23.313 -2.775 -4.821 1.00 1.45 C ATOM 587 NZ LYS A 35 23.690 -3.360 -6.136 1.00 1.92 N ATOM 0 H LYS A 35 19.825 2.137 -4.297 1.00 1.00 H new ATOM 0 HA LYS A 35 22.046 1.406 -2.750 1.00 1.02 H new ATOM 0 HB2 LYS A 35 20.091 -0.009 -2.989 1.00 1.02 H new ATOM 0 HB3 LYS A 35 20.320 -0.127 -4.722 1.00 1.02 H new ATOM 0 HG2 LYS A 35 22.619 -1.039 -3.059 1.00 1.06 H new ATOM 0 HG3 LYS A 35 21.163 -2.006 -2.937 1.00 1.06 H new ATOM 0 HD2 LYS A 35 21.205 -2.619 -5.199 1.00 1.23 H new ATOM 0 HD3 LYS A 35 22.124 -1.206 -5.679 1.00 1.23 H new ATOM 0 HE2 LYS A 35 24.120 -2.136 -4.464 1.00 1.45 H new ATOM 0 HE3 LYS A 35 23.192 -3.574 -4.090 1.00 1.45 H new ATOM 0 HZ1 LYS A 35 23.725 -4.396 -6.058 1.00 1.92 H new ATOM 0 HZ2 LYS A 35 22.984 -3.090 -6.851 1.00 1.92 H new ATOM 0 HZ3 LYS A 35 24.624 -3.003 -6.420 1.00 1.92 H new ATOM 601 N GLU A 36 22.517 1.384 -6.007 1.00 0.99 N ATOM 602 CA GLU A 36 23.544 1.343 -7.037 1.00 1.00 C ATOM 603 C GLU A 36 24.434 2.587 -7.016 1.00 0.99 C ATOM 604 O GLU A 36 25.633 2.499 -7.290 1.00 1.01 O ATOM 605 CB GLU A 36 22.915 1.169 -8.418 1.00 1.03 C ATOM 606 CG GLU A 36 23.579 0.078 -9.240 1.00 1.31 C ATOM 607 CD GLU A 36 23.752 -1.205 -8.455 1.00 1.41 C ATOM 608 OE1 GLU A 36 22.798 -2.011 -8.410 1.00 1.71 O ATOM 609 OE2 GLU A 36 24.828 -1.405 -7.858 1.00 1.44 O ATOM 0 H GLU A 36 21.576 1.573 -6.351 1.00 0.99 H new ATOM 0 HA GLU A 36 24.178 0.483 -6.821 1.00 1.00 H new ATOM 0 HB2 GLU A 36 21.857 0.936 -8.302 1.00 1.03 H new ATOM 0 HB3 GLU A 36 22.976 2.113 -8.960 1.00 1.03 H new ATOM 0 HG2 GLU A 36 22.980 -0.120 -10.129 1.00 1.31 H new ATOM 0 HG3 GLU A 36 24.553 0.426 -9.583 1.00 1.31 H new ATOM 616 N SER A 37 23.865 3.746 -6.677 1.00 0.00 N ATOM 617 CA SER A 37 24.624 4.992 -6.655 1.00 0.00 C ATOM 618 C SER A 37 25.661 4.975 -5.556 1.00 0.00 C ATOM 619 O SER A 37 26.798 5.443 -5.752 1.00 0.00 O ATOM 620 CB SER A 37 23.678 6.212 -6.526 1.00 0.00 C ATOM 621 OG SER A 37 22.836 6.388 -7.671 1.00 0.00 O ATOM 0 H SER A 37 22.884 3.845 -6.415 1.00 0.00 H new ATOM 0 HA SER A 37 25.154 5.085 -7.603 1.00 0.00 H new ATOM 0 HB2 SER A 37 23.056 6.091 -5.639 1.00 0.00 H new ATOM 0 HB3 SER A 37 24.273 7.113 -6.377 1.00 0.00 H new ATOM 0 HG SER A 37 22.129 5.710 -7.664 1.00 0.00 H new ATOM 627 N VAL A 38 25.327 4.433 -4.379 1.00 1.03 N ATOM 628 CA VAL A 38 26.276 4.353 -3.266 1.00 1.06 C ATOM 629 C VAL A 38 27.349 3.321 -3.574 1.00 1.07 C ATOM 630 O VAL A 38 28.467 3.407 -3.078 1.00 1.09 O ATOM 631 CB VAL A 38 25.607 4.012 -1.913 1.00 1.10 C ATOM 632 CG1 VAL A 38 24.550 5.047 -1.567 1.00 1.12 C ATOM 633 CG2 VAL A 38 25.001 2.612 -1.925 1.00 1.10 C ATOM 0 H VAL A 38 24.407 4.044 -4.174 1.00 1.03 H new ATOM 0 HA VAL A 38 26.716 5.345 -3.163 1.00 1.06 H new ATOM 0 HB VAL A 38 26.381 4.031 -1.146 1.00 1.10 H new ATOM 0 HG11 VAL A 38 24.090 4.792 -0.613 1.00 1.12 H new ATOM 0 HG12 VAL A 38 25.014 6.031 -1.495 1.00 1.12 H new ATOM 0 HG13 VAL A 38 23.787 5.062 -2.345 1.00 1.12 H new ATOM 0 HG21 VAL A 38 24.540 2.407 -0.959 1.00 1.10 H new ATOM 0 HG22 VAL A 38 24.246 2.549 -2.708 1.00 1.10 H new ATOM 0 HG23 VAL A 38 25.784 1.878 -2.117 1.00 1.10 H new ATOM 643 N ASN A 39 26.990 2.347 -4.401 1.00 1.05 N ATOM 644 CA ASN A 39 27.909 1.293 -4.804 1.00 1.08 C ATOM 645 C ASN A 39 29.080 1.917 -5.566 1.00 1.07 C ATOM 646 O ASN A 39 30.251 1.693 -5.247 1.00 1.10 O ATOM 647 CB ASN A 39 27.156 0.280 -5.673 1.00 1.10 C ATOM 648 CG ASN A 39 27.994 -0.916 -6.081 1.00 1.41 C ATOM 649 OD1 ASN A 39 29.056 -1.173 -5.516 1.00 1.68 O ATOM 650 ND2 ASN A 39 27.510 -1.671 -7.057 1.00 1.72 N ATOM 0 H ASN A 39 26.058 2.266 -4.809 1.00 1.05 H new ATOM 0 HA ASN A 39 28.305 0.772 -3.932 1.00 1.08 H new ATOM 0 HB2 ASN A 39 26.279 -0.071 -5.129 1.00 1.10 H new ATOM 0 HB3 ASN A 39 26.795 0.782 -6.570 1.00 1.10 H new ATOM 0 HD21 ASN A 39 28.022 -2.498 -7.364 1.00 1.72 H new ATOM 0 HD22 ASN A 39 26.625 -1.425 -7.501 1.00 1.72 H new ATOM 657 N GLU A 40 28.740 2.738 -6.547 1.00 1.06 N ATOM 658 CA GLU A 40 29.734 3.433 -7.352 1.00 1.08 C ATOM 659 C GLU A 40 30.499 4.443 -6.502 1.00 1.06 C ATOM 660 O GLU A 40 31.718 4.576 -6.618 1.00 1.09 O ATOM 661 CB GLU A 40 29.047 4.146 -8.512 1.00 1.11 C ATOM 662 CG GLU A 40 29.180 3.424 -9.839 1.00 1.33 C ATOM 663 CD GLU A 40 30.225 4.058 -10.729 1.00 1.77 C ATOM 664 OE1 GLU A 40 31.432 3.865 -10.472 1.00 2.31 O ATOM 665 OE2 GLU A 40 29.842 4.771 -11.675 1.00 2.13 O ATOM 0 H GLU A 40 27.775 2.941 -6.807 1.00 1.06 H new ATOM 0 HA GLU A 40 30.442 2.702 -7.744 1.00 1.08 H new ATOM 0 HB2 GLU A 40 27.989 4.265 -8.278 1.00 1.11 H new ATOM 0 HB3 GLU A 40 29.466 5.147 -8.610 1.00 1.11 H new ATOM 0 HG2 GLU A 40 29.442 2.381 -9.659 1.00 1.33 H new ATOM 0 HG3 GLU A 40 28.218 3.427 -10.351 1.00 1.33 H new ATOM 672 N LEU A 41 29.766 5.142 -5.639 1.00 1.04 N ATOM 673 CA LEU A 41 30.344 6.151 -4.749 1.00 1.05 C ATOM 674 C LEU A 41 31.425 5.542 -3.856 1.00 1.08 C ATOM 675 O LEU A 41 32.432 6.182 -3.565 1.00 1.12 O ATOM 676 CB LEU A 41 29.246 6.781 -3.881 1.00 1.04 C ATOM 677 CG LEU A 41 29.709 7.887 -2.925 1.00 1.04 C ATOM 678 CD1 LEU A 41 30.095 9.143 -3.698 1.00 1.19 C ATOM 679 CD2 LEU A 41 28.615 8.190 -1.911 1.00 1.07 C ATOM 0 H LEU A 41 28.758 5.027 -5.535 1.00 1.04 H new ATOM 0 HA LEU A 41 30.803 6.923 -5.367 1.00 1.05 H new ATOM 0 HB2 LEU A 41 28.479 7.191 -4.538 1.00 1.04 H new ATOM 0 HB3 LEU A 41 28.775 5.992 -3.294 1.00 1.04 H new ATOM 0 HG LEU A 41 30.593 7.539 -2.390 1.00 1.04 H new ATOM 0 HD11 LEU A 41 30.420 9.914 -3.000 1.00 1.19 H new ATOM 0 HD12 LEU A 41 30.907 8.911 -4.387 1.00 1.19 H new ATOM 0 HD13 LEU A 41 29.234 9.503 -4.261 1.00 1.19 H new ATOM 0 HD21 LEU A 41 28.952 8.977 -1.236 1.00 1.07 H new ATOM 0 HD22 LEU A 41 27.717 8.520 -2.433 1.00 1.07 H new ATOM 0 HD23 LEU A 41 28.392 7.291 -1.337 1.00 1.07 H new ATOM 691 N SER A 42 31.212 4.299 -3.441 1.00 1.07 N ATOM 692 CA SER A 42 32.158 3.596 -2.586 1.00 1.12 C ATOM 693 C SER A 42 33.474 3.360 -3.319 1.00 1.16 C ATOM 694 O SER A 42 34.544 3.452 -2.725 1.00 1.20 O ATOM 695 CB SER A 42 31.558 2.266 -2.118 1.00 1.13 C ATOM 696 OG SER A 42 30.342 2.473 -1.415 1.00 1.47 O ATOM 0 H SER A 42 30.385 3.754 -3.686 1.00 1.07 H new ATOM 0 HA SER A 42 32.362 4.215 -1.712 1.00 1.12 H new ATOM 0 HB2 SER A 42 31.379 1.621 -2.979 1.00 1.13 H new ATOM 0 HB3 SER A 42 32.270 1.749 -1.475 1.00 1.13 H new ATOM 0 HG SER A 42 29.756 3.056 -1.940 1.00 1.47 H new ATOM 702 N GLU A 43 33.389 3.069 -4.616 1.00 1.16 N ATOM 703 CA GLU A 43 34.583 2.841 -5.419 1.00 1.22 C ATOM 704 C GLU A 43 35.391 4.131 -5.527 1.00 1.21 C ATOM 705 O GLU A 43 36.620 4.107 -5.541 1.00 1.25 O ATOM 706 CB GLU A 43 34.206 2.339 -6.813 1.00 1.27 C ATOM 707 CG GLU A 43 35.359 1.679 -7.553 1.00 1.60 C ATOM 708 CD GLU A 43 35.908 0.474 -6.816 1.00 1.71 C ATOM 709 OE1 GLU A 43 35.313 -0.616 -6.930 1.00 1.94 O ATOM 710 OE2 GLU A 43 36.930 0.617 -6.109 1.00 1.98 O ATOM 0 H GLU A 43 32.511 2.987 -5.128 1.00 1.16 H new ATOM 0 HA GLU A 43 35.190 2.079 -4.931 1.00 1.22 H new ATOM 0 HB2 GLU A 43 33.386 1.626 -6.724 1.00 1.27 H new ATOM 0 HB3 GLU A 43 33.837 3.177 -7.405 1.00 1.27 H new ATOM 0 HG2 GLU A 43 35.023 1.373 -8.544 1.00 1.60 H new ATOM 0 HG3 GLU A 43 36.157 2.407 -7.698 1.00 1.60 H new ATOM 717 N LYS A 44 34.690 5.259 -5.595 1.00 1.18 N ATOM 718 CA LYS A 44 35.346 6.557 -5.688 1.00 1.20 C ATOM 719 C LYS A 44 36.030 6.891 -4.365 1.00 1.20 C ATOM 720 O LYS A 44 37.174 7.344 -4.338 1.00 1.25 O ATOM 721 CB LYS A 44 34.329 7.656 -6.038 1.00 1.22 C ATOM 722 CG LYS A 44 33.305 7.260 -7.096 1.00 1.25 C ATOM 723 CD LYS A 44 33.953 6.976 -8.442 1.00 1.46 C ATOM 724 CE LYS A 44 32.913 6.642 -9.499 1.00 1.75 C ATOM 725 NZ LYS A 44 33.497 6.634 -10.865 1.00 2.12 N ATOM 0 H LYS A 44 33.671 5.300 -5.587 1.00 1.18 H new ATOM 0 HA LYS A 44 36.093 6.509 -6.480 1.00 1.20 H new ATOM 0 HB2 LYS A 44 33.800 7.946 -5.130 1.00 1.22 H new ATOM 0 HB3 LYS A 44 34.870 8.536 -6.386 1.00 1.22 H new ATOM 0 HG2 LYS A 44 32.763 6.376 -6.762 1.00 1.25 H new ATOM 0 HG3 LYS A 44 32.573 8.060 -7.208 1.00 1.25 H new ATOM 0 HD2 LYS A 44 34.531 7.844 -8.760 1.00 1.46 H new ATOM 0 HD3 LYS A 44 34.653 6.146 -8.343 1.00 1.46 H new ATOM 0 HE2 LYS A 44 32.477 5.666 -9.284 1.00 1.75 H new ATOM 0 HE3 LYS A 44 32.103 7.370 -9.454 1.00 1.75 H new ATOM 0 HZ1 LYS A 44 32.757 6.402 -11.558 1.00 2.12 H new ATOM 0 HZ2 LYS A 44 33.891 7.572 -11.080 1.00 2.12 H new ATOM 0 HZ3 LYS A 44 34.253 5.922 -10.915 1.00 2.12 H new ATOM 739 N ALA A 45 35.324 6.622 -3.268 1.00 1.17 N ATOM 740 CA ALA A 45 35.829 6.885 -1.923 1.00 1.18 C ATOM 741 C ALA A 45 36.998 5.970 -1.573 1.00 1.18 C ATOM 742 O ALA A 45 37.795 6.272 -0.694 1.00 1.19 O ATOM 743 CB ALA A 45 34.711 6.724 -0.905 1.00 1.21 C ATOM 0 H ALA A 45 34.388 6.217 -3.287 1.00 1.17 H new ATOM 0 HA ALA A 45 36.194 7.912 -1.898 1.00 1.18 H new ATOM 0 HB1 ALA A 45 35.098 6.922 0.095 1.00 1.21 H new ATOM 0 HB2 ALA A 45 33.910 7.428 -1.130 1.00 1.21 H new ATOM 0 HB3 ALA A 45 34.323 5.706 -0.949 1.00 1.21 H new ATOM 749 N LYS A 46 37.098 4.859 -2.284 1.00 1.21 N ATOM 750 CA LYS A 46 38.160 3.884 -2.065 1.00 1.24 C ATOM 751 C LYS A 46 39.519 4.446 -2.488 1.00 1.24 C ATOM 752 O LYS A 46 40.568 3.920 -2.115 1.00 1.27 O ATOM 753 CB LYS A 46 37.834 2.608 -2.848 1.00 1.32 C ATOM 754 CG LYS A 46 38.850 1.485 -2.694 1.00 1.61 C ATOM 755 CD LYS A 46 38.236 0.130 -3.010 1.00 2.02 C ATOM 756 CE LYS A 46 39.189 -0.745 -3.816 1.00 2.38 C ATOM 757 NZ LYS A 46 39.286 -0.295 -5.232 1.00 2.75 N ATOM 0 H LYS A 46 36.448 4.606 -3.028 1.00 1.21 H new ATOM 0 HA LYS A 46 38.220 3.654 -1.001 1.00 1.24 H new ATOM 0 HB2 LYS A 46 36.858 2.242 -2.528 1.00 1.32 H new ATOM 0 HB3 LYS A 46 37.749 2.859 -3.905 1.00 1.32 H new ATOM 0 HG2 LYS A 46 39.696 1.665 -3.357 1.00 1.61 H new ATOM 0 HG3 LYS A 46 39.238 1.481 -1.675 1.00 1.61 H new ATOM 0 HD2 LYS A 46 37.974 -0.377 -2.081 1.00 2.02 H new ATOM 0 HD3 LYS A 46 37.311 0.271 -3.568 1.00 2.02 H new ATOM 0 HE2 LYS A 46 40.178 -0.723 -3.359 1.00 2.38 H new ATOM 0 HE3 LYS A 46 38.847 -1.779 -3.786 1.00 2.38 H new ATOM 0 HZ1 LYS A 46 39.889 -0.953 -5.765 1.00 2.75 H new ATOM 0 HZ2 LYS A 46 38.336 -0.275 -5.656 1.00 2.75 H new ATOM 0 HZ3 LYS A 46 39.700 0.658 -5.266 1.00 2.75 H new ATOM 771 N THR A 47 39.494 5.525 -3.254 1.00 1.23 N ATOM 772 CA THR A 47 40.719 6.144 -3.734 1.00 1.26 C ATOM 773 C THR A 47 41.281 7.152 -2.728 1.00 1.21 C ATOM 774 O THR A 47 42.441 7.557 -2.825 1.00 1.30 O ATOM 775 CB THR A 47 40.476 6.851 -5.080 1.00 1.39 C ATOM 776 OG1 THR A 47 39.396 6.213 -5.787 1.00 1.54 O ATOM 777 CG2 THR A 47 41.730 6.818 -5.934 1.00 1.62 C ATOM 0 H THR A 47 38.638 5.990 -3.557 1.00 1.23 H new ATOM 0 HA THR A 47 41.450 5.346 -3.864 1.00 1.26 H new ATOM 0 HB THR A 47 40.213 7.889 -4.878 1.00 1.39 H new ATOM 0 HG1 THR A 47 38.540 6.547 -5.447 1.00 1.54 H new ATOM 0 HG21 THR A 47 41.539 7.322 -6.881 1.00 1.62 H new ATOM 0 HG22 THR A 47 42.540 7.325 -5.410 1.00 1.62 H new ATOM 0 HG23 THR A 47 42.013 5.783 -6.125 1.00 1.62 H new ATOM 785 N ASP A 48 40.472 7.532 -1.747 1.00 1.15 N ATOM 786 CA ASP A 48 40.895 8.511 -0.746 1.00 1.15 C ATOM 787 C ASP A 48 40.611 7.996 0.667 1.00 1.09 C ATOM 788 O ASP A 48 39.493 7.588 0.969 1.00 1.06 O ATOM 789 CB ASP A 48 40.171 9.838 -0.994 1.00 1.24 C ATOM 790 CG ASP A 48 40.574 10.927 -0.018 1.00 1.32 C ATOM 791 OD1 ASP A 48 39.996 10.987 1.078 1.00 1.41 O ATOM 792 OD2 ASP A 48 41.465 11.733 -0.352 1.00 1.50 O ATOM 0 H ASP A 48 39.523 7.181 -1.621 1.00 1.15 H new ATOM 0 HA ASP A 48 41.970 8.669 -0.833 1.00 1.15 H new ATOM 0 HB2 ASP A 48 40.379 10.174 -2.010 1.00 1.24 H new ATOM 0 HB3 ASP A 48 39.095 9.677 -0.925 1.00 1.24 H new ATOM 797 N PRO A 49 41.619 8.022 1.555 1.00 1.12 N ATOM 798 CA PRO A 49 41.480 7.533 2.933 1.00 1.13 C ATOM 799 C PRO A 49 40.431 8.300 3.734 1.00 1.17 C ATOM 800 O PRO A 49 39.705 7.712 4.538 1.00 1.18 O ATOM 801 CB PRO A 49 42.873 7.733 3.536 1.00 1.22 C ATOM 802 CG PRO A 49 43.530 8.751 2.668 1.00 1.25 C ATOM 803 CD PRO A 49 42.970 8.540 1.291 1.00 1.19 C ATOM 0 HA PRO A 49 41.140 6.498 2.954 1.00 1.13 H new ATOM 0 HB2 PRO A 49 42.810 8.077 4.568 1.00 1.22 H new ATOM 0 HB3 PRO A 49 43.436 6.800 3.545 1.00 1.22 H new ATOM 0 HG2 PRO A 49 43.322 9.760 3.024 1.00 1.25 H new ATOM 0 HG3 PRO A 49 44.613 8.628 2.672 1.00 1.25 H new ATOM 0 HD2 PRO A 49 42.941 9.469 0.721 1.00 1.19 H new ATOM 0 HD3 PRO A 49 43.568 7.832 0.717 1.00 1.19 H new ATOM 811 N GLN A 50 40.347 9.605 3.507 1.00 1.23 N ATOM 812 CA GLN A 50 39.380 10.439 4.207 1.00 1.30 C ATOM 813 C GLN A 50 37.976 10.099 3.735 1.00 1.21 C ATOM 814 O GLN A 50 37.035 10.034 4.528 1.00 1.22 O ATOM 815 CB GLN A 50 39.667 11.928 3.977 1.00 1.43 C ATOM 816 CG GLN A 50 40.891 12.453 4.720 1.00 1.59 C ATOM 817 CD GLN A 50 42.214 12.038 4.087 1.00 1.77 C ATOM 818 OE1 GLN A 50 42.242 11.925 2.769 1.00 2.00 O flip ATOM 819 NE2 GLN A 50 43.208 11.817 4.786 1.00 1.96 N flip ATOM 0 H GLN A 50 40.937 10.108 2.844 1.00 1.23 H new ATOM 0 HA GLN A 50 39.463 10.241 5.276 1.00 1.30 H new ATOM 0 HB2 GLN A 50 39.804 12.099 2.909 1.00 1.43 H new ATOM 0 HB3 GLN A 50 38.795 12.506 4.283 1.00 1.43 H new ATOM 0 HG2 GLN A 50 40.842 13.541 4.760 1.00 1.59 H new ATOM 0 HG3 GLN A 50 40.862 12.095 5.749 1.00 1.59 H new ATOM 0 HE21 GLN A 50 43.150 11.914 5.800 1.00 1.96 H new ATOM 0 HE22 GLN A 50 44.087 11.538 4.350 1.00 1.96 H new ATOM 828 N ALA A 51 37.847 9.880 2.435 1.00 1.16 N ATOM 829 CA ALA A 51 36.567 9.524 1.842 1.00 1.11 C ATOM 830 C ALA A 51 36.161 8.118 2.267 1.00 1.02 C ATOM 831 O ALA A 51 34.973 7.830 2.434 1.00 1.00 O ATOM 832 CB ALA A 51 36.631 9.634 0.328 1.00 1.15 C ATOM 0 H ALA A 51 38.617 9.943 1.768 1.00 1.16 H new ATOM 0 HA ALA A 51 35.811 10.223 2.200 1.00 1.11 H new ATOM 0 HB1 ALA A 51 35.665 9.364 -0.098 1.00 1.15 H new ATOM 0 HB2 ALA A 51 36.877 10.658 0.048 1.00 1.15 H new ATOM 0 HB3 ALA A 51 37.397 8.959 -0.054 1.00 1.15 H new ATOM 838 N ALA A 52 37.152 7.250 2.442 1.00 1.01 N ATOM 839 CA ALA A 52 36.899 5.885 2.879 1.00 1.01 C ATOM 840 C ALA A 52 36.289 5.905 4.273 1.00 1.04 C ATOM 841 O ALA A 52 35.286 5.237 4.532 1.00 1.05 O ATOM 842 CB ALA A 52 38.182 5.070 2.862 1.00 1.07 C ATOM 0 H ALA A 52 38.136 7.469 2.288 1.00 1.01 H new ATOM 0 HA ALA A 52 36.197 5.413 2.191 1.00 1.01 H new ATOM 0 HB1 ALA A 52 37.971 4.053 3.192 1.00 1.07 H new ATOM 0 HB2 ALA A 52 38.585 5.047 1.849 1.00 1.07 H new ATOM 0 HB3 ALA A 52 38.911 5.525 3.532 1.00 1.07 H new ATOM 848 N GLU A 53 36.908 6.678 5.164 1.00 1.10 N ATOM 849 CA GLU A 53 36.415 6.845 6.524 1.00 1.20 C ATOM 850 C GLU A 53 34.978 7.391 6.511 1.00 1.18 C ATOM 851 O GLU A 53 34.156 7.019 7.349 1.00 1.23 O ATOM 852 CB GLU A 53 37.353 7.783 7.299 1.00 1.32 C ATOM 853 CG GLU A 53 36.875 8.155 8.698 1.00 1.52 C ATOM 854 CD GLU A 53 36.423 6.965 9.518 1.00 1.64 C ATOM 855 OE1 GLU A 53 37.150 5.953 9.566 1.00 1.87 O ATOM 856 OE2 GLU A 53 35.334 7.044 10.123 1.00 1.65 O ATOM 0 H GLU A 53 37.760 7.202 4.962 1.00 1.10 H new ATOM 0 HA GLU A 53 36.399 5.876 7.023 1.00 1.20 H new ATOM 0 HB2 GLU A 53 38.332 7.310 7.379 1.00 1.32 H new ATOM 0 HB3 GLU A 53 37.487 8.698 6.721 1.00 1.32 H new ATOM 0 HG2 GLU A 53 37.681 8.664 9.225 1.00 1.52 H new ATOM 0 HG3 GLU A 53 36.051 8.863 8.615 1.00 1.52 H new ATOM 863 N LYS A 54 34.676 8.263 5.547 1.00 1.14 N ATOM 864 CA LYS A 54 33.337 8.834 5.428 1.00 1.15 C ATOM 865 C LYS A 54 32.302 7.744 5.178 1.00 1.06 C ATOM 866 O LYS A 54 31.225 7.744 5.775 1.00 1.08 O ATOM 867 CB LYS A 54 33.275 9.864 4.301 1.00 1.20 C ATOM 868 CG LYS A 54 33.968 11.175 4.631 1.00 1.43 C ATOM 869 CD LYS A 54 33.486 12.307 3.736 1.00 1.56 C ATOM 870 CE LYS A 54 32.075 12.746 4.099 1.00 1.86 C ATOM 871 NZ LYS A 54 31.680 13.992 3.396 1.00 2.25 N ATOM 0 H LYS A 54 35.338 8.587 4.842 1.00 1.14 H new ATOM 0 HA LYS A 54 33.110 9.331 6.371 1.00 1.15 H new ATOM 0 HB2 LYS A 54 33.730 9.438 3.407 1.00 1.20 H new ATOM 0 HB3 LYS A 54 32.231 10.066 4.062 1.00 1.20 H new ATOM 0 HG2 LYS A 54 33.783 11.432 5.674 1.00 1.43 H new ATOM 0 HG3 LYS A 54 35.046 11.056 4.518 1.00 1.43 H new ATOM 0 HD2 LYS A 54 34.165 13.155 3.823 1.00 1.56 H new ATOM 0 HD3 LYS A 54 33.511 11.984 2.695 1.00 1.56 H new ATOM 0 HE2 LYS A 54 31.373 11.951 3.849 1.00 1.86 H new ATOM 0 HE3 LYS A 54 32.010 12.902 5.176 1.00 1.86 H new ATOM 0 HZ1 LYS A 54 30.712 14.255 3.672 1.00 2.25 H new ATOM 0 HZ2 LYS A 54 32.334 14.758 3.654 1.00 2.25 H new ATOM 0 HZ3 LYS A 54 31.716 13.837 2.368 1.00 2.25 H new ATOM 885 N LEU A 55 32.633 6.810 4.297 1.00 0.98 N ATOM 886 CA LEU A 55 31.735 5.706 3.979 1.00 0.95 C ATOM 887 C LEU A 55 31.640 4.758 5.165 1.00 0.98 C ATOM 888 O LEU A 55 30.609 4.123 5.388 1.00 1.00 O ATOM 889 CB LEU A 55 32.227 4.949 2.743 1.00 0.93 C ATOM 890 CG LEU A 55 31.564 5.348 1.422 1.00 1.05 C ATOM 891 CD1 LEU A 55 30.095 4.954 1.422 1.00 1.34 C ATOM 892 CD2 LEU A 55 31.713 6.843 1.174 1.00 1.22 C ATOM 0 H LEU A 55 33.517 6.794 3.789 1.00 0.98 H new ATOM 0 HA LEU A 55 30.747 6.113 3.764 1.00 0.95 H new ATOM 0 HB2 LEU A 55 33.303 5.099 2.650 1.00 0.93 H new ATOM 0 HB3 LEU A 55 32.067 3.883 2.903 1.00 0.93 H new ATOM 0 HG LEU A 55 32.066 4.815 0.614 1.00 1.05 H new ATOM 0 HD11 LEU A 55 29.640 5.245 0.475 1.00 1.34 H new ATOM 0 HD12 LEU A 55 30.008 3.875 1.550 1.00 1.34 H new ATOM 0 HD13 LEU A 55 29.583 5.459 2.241 1.00 1.34 H new ATOM 0 HD21 LEU A 55 31.235 7.105 0.230 1.00 1.22 H new ATOM 0 HD22 LEU A 55 31.240 7.395 1.986 1.00 1.22 H new ATOM 0 HD23 LEU A 55 32.771 7.101 1.128 1.00 1.22 H new ATOM 904 N ASN A 56 32.724 4.689 5.930 1.00 1.04 N ATOM 905 CA ASN A 56 32.804 3.831 7.108 1.00 1.14 C ATOM 906 C ASN A 56 31.766 4.243 8.165 1.00 1.19 C ATOM 907 O ASN A 56 31.033 3.405 8.696 1.00 1.25 O ATOM 908 CB ASN A 56 34.218 3.892 7.689 1.00 1.25 C ATOM 909 CG ASN A 56 34.392 3.045 8.930 1.00 1.42 C ATOM 910 OD1 ASN A 56 33.809 1.971 9.059 1.00 1.48 O ATOM 911 ND2 ASN A 56 35.202 3.528 9.853 1.00 1.57 N ATOM 0 H ASN A 56 33.573 5.226 5.751 1.00 1.04 H new ATOM 0 HA ASN A 56 32.582 2.806 6.810 1.00 1.14 H new ATOM 0 HB2 ASN A 56 34.929 3.564 6.931 1.00 1.25 H new ATOM 0 HB3 ASN A 56 34.461 4.927 7.927 1.00 1.25 H new ATOM 0 HD21 ASN A 56 35.364 3.005 10.714 1.00 1.57 H new ATOM 0 HD22 ASN A 56 35.666 4.424 9.706 1.00 1.57 H new ATOM 918 N LYS A 57 31.716 5.535 8.472 1.00 1.20 N ATOM 919 CA LYS A 57 30.762 6.058 9.454 1.00 1.28 C ATOM 920 C LYS A 57 29.354 6.120 8.872 1.00 1.22 C ATOM 921 O LYS A 57 28.368 6.012 9.600 1.00 1.27 O ATOM 922 CB LYS A 57 31.181 7.439 9.969 1.00 1.39 C ATOM 923 CG LYS A 57 31.737 8.372 8.908 1.00 1.52 C ATOM 924 CD LYS A 57 31.894 9.786 9.442 1.00 1.63 C ATOM 925 CE LYS A 57 32.813 9.834 10.651 1.00 1.74 C ATOM 926 NZ LYS A 57 34.209 9.453 10.309 1.00 1.86 N ATOM 0 H LYS A 57 32.323 6.242 8.057 1.00 1.20 H new ATOM 0 HA LYS A 57 30.761 5.368 10.298 1.00 1.28 H new ATOM 0 HB2 LYS A 57 30.318 7.915 10.435 1.00 1.39 H new ATOM 0 HB3 LYS A 57 31.932 7.308 10.748 1.00 1.39 H new ATOM 0 HG2 LYS A 57 32.703 8.001 8.565 1.00 1.52 H new ATOM 0 HG3 LYS A 57 31.073 8.379 8.043 1.00 1.52 H new ATOM 0 HD2 LYS A 57 32.292 10.429 8.657 1.00 1.63 H new ATOM 0 HD3 LYS A 57 30.916 10.183 9.713 1.00 1.63 H new ATOM 0 HE2 LYS A 57 32.805 10.839 11.072 1.00 1.74 H new ATOM 0 HE3 LYS A 57 32.433 9.163 11.421 1.00 1.74 H new ATOM 0 HZ1 LYS A 57 34.854 9.798 11.048 1.00 1.86 H new ATOM 0 HZ2 LYS A 57 34.280 8.418 10.243 1.00 1.86 H new ATOM 0 HZ3 LYS A 57 34.471 9.877 9.396 1.00 1.86 H new ATOM 940 N LEU A 58 29.272 6.323 7.560 1.00 1.12 N ATOM 941 CA LEU A 58 27.989 6.403 6.869 1.00 1.10 C ATOM 942 C LEU A 58 27.181 5.128 7.096 1.00 1.08 C ATOM 943 O LEU A 58 26.021 5.184 7.498 1.00 1.11 O ATOM 944 CB LEU A 58 28.207 6.637 5.369 1.00 1.06 C ATOM 945 CG LEU A 58 27.194 7.564 4.679 1.00 1.22 C ATOM 946 CD1 LEU A 58 25.838 6.889 4.543 1.00 1.35 C ATOM 947 CD2 LEU A 58 27.063 8.884 5.430 1.00 1.39 C ATOM 0 H LEU A 58 30.083 6.436 6.952 1.00 1.12 H new ATOM 0 HA LEU A 58 27.428 7.245 7.275 1.00 1.10 H new ATOM 0 HB2 LEU A 58 29.205 7.052 5.227 1.00 1.06 H new ATOM 0 HB3 LEU A 58 28.189 5.671 4.864 1.00 1.06 H new ATOM 0 HG LEU A 58 27.568 7.777 3.678 1.00 1.22 H new ATOM 0 HD11 LEU A 58 25.141 7.568 4.051 1.00 1.35 H new ATOM 0 HD12 LEU A 58 25.941 5.982 3.948 1.00 1.35 H new ATOM 0 HD13 LEU A 58 25.458 6.633 5.532 1.00 1.35 H new ATOM 0 HD21 LEU A 58 26.340 9.522 4.921 1.00 1.39 H new ATOM 0 HD22 LEU A 58 26.724 8.691 6.448 1.00 1.39 H new ATOM 0 HD23 LEU A 58 28.031 9.384 5.459 1.00 1.39 H new ATOM 959 N ILE A 59 27.809 3.981 6.854 1.00 1.07 N ATOM 960 CA ILE A 59 27.144 2.695 7.035 1.00 1.12 C ATOM 961 C ILE A 59 26.831 2.443 8.512 1.00 1.22 C ATOM 962 O ILE A 59 25.805 1.852 8.843 1.00 1.28 O ATOM 963 CB ILE A 59 27.976 1.529 6.446 1.00 1.15 C ATOM 964 CG1 ILE A 59 27.162 0.234 6.449 1.00 1.28 C ATOM 965 CG2 ILE A 59 29.283 1.337 7.203 1.00 1.26 C ATOM 966 CD1 ILE A 59 26.159 0.142 5.319 1.00 1.39 C ATOM 0 H ILE A 59 28.775 3.916 6.533 1.00 1.07 H new ATOM 0 HA ILE A 59 26.204 2.738 6.486 1.00 1.12 H new ATOM 0 HB ILE A 59 28.223 1.787 5.416 1.00 1.15 H new ATOM 0 HG12 ILE A 59 27.844 -0.614 6.387 1.00 1.28 H new ATOM 0 HG13 ILE A 59 26.634 0.149 7.399 1.00 1.28 H new ATOM 0 HG21 ILE A 59 29.841 0.511 6.762 1.00 1.26 H new ATOM 0 HG22 ILE A 59 29.877 2.249 7.141 1.00 1.26 H new ATOM 0 HG23 ILE A 59 29.069 1.114 8.248 1.00 1.26 H new ATOM 0 HD11 ILE A 59 25.620 -0.803 5.387 1.00 1.39 H new ATOM 0 HD12 ILE A 59 25.452 0.969 5.391 1.00 1.39 H new ATOM 0 HD13 ILE A 59 26.681 0.194 4.364 1.00 1.39 H new ATOM 978 N GLU A 60 27.711 2.903 9.398 1.00 1.27 N ATOM 979 CA GLU A 60 27.502 2.743 10.835 1.00 1.41 C ATOM 980 C GLU A 60 26.223 3.466 11.254 1.00 1.39 C ATOM 981 O GLU A 60 25.468 2.991 12.103 1.00 1.49 O ATOM 982 CB GLU A 60 28.697 3.302 11.607 1.00 1.52 C ATOM 983 CG GLU A 60 28.735 2.889 13.072 1.00 1.73 C ATOM 984 CD GLU A 60 29.886 3.526 13.824 1.00 2.09 C ATOM 985 OE1 GLU A 60 29.769 4.710 14.205 1.00 2.28 O ATOM 986 OE2 GLU A 60 30.909 2.847 14.053 1.00 2.61 O ATOM 0 H GLU A 60 28.573 3.388 9.148 1.00 1.27 H new ATOM 0 HA GLU A 60 27.404 1.682 11.064 1.00 1.41 H new ATOM 0 HB2 GLU A 60 29.616 2.972 11.123 1.00 1.52 H new ATOM 0 HB3 GLU A 60 28.679 4.390 11.547 1.00 1.52 H new ATOM 0 HG2 GLU A 60 27.795 3.167 13.549 1.00 1.73 H new ATOM 0 HG3 GLU A 60 28.818 1.804 13.138 1.00 1.73 H new ATOM 993 N GLY A 61 25.982 4.616 10.631 1.00 1.30 N ATOM 994 CA GLY A 61 24.797 5.399 10.918 1.00 1.30 C ATOM 995 C GLY A 61 23.532 4.671 10.525 1.00 1.26 C ATOM 996 O GLY A 61 22.481 4.868 11.125 1.00 1.27 O ATOM 0 H GLY A 61 26.596 5.022 9.924 1.00 1.30 H new ATOM 0 HA2 GLY A 61 24.765 5.633 11.982 1.00 1.30 H new ATOM 0 HA3 GLY A 61 24.851 6.348 10.384 1.00 1.30 H new ATOM 1000 N TYR A 62 23.635 3.816 9.513 1.00 1.25 N ATOM 1001 CA TYR A 62 22.495 3.043 9.049 1.00 1.31 C ATOM 1002 C TYR A 62 22.108 1.984 10.080 1.00 1.43 C ATOM 1003 O TYR A 62 20.925 1.759 10.342 1.00 1.47 O ATOM 1004 CB TYR A 62 22.819 2.376 7.713 1.00 1.39 C ATOM 1005 CG TYR A 62 21.718 1.471 7.207 1.00 1.59 C ATOM 1006 CD1 TYR A 62 20.591 1.996 6.589 1.00 2.03 C ATOM 1007 CD2 TYR A 62 21.800 0.091 7.359 1.00 2.27 C ATOM 1008 CE1 TYR A 62 19.577 1.175 6.135 1.00 2.60 C ATOM 1009 CE2 TYR A 62 20.788 -0.736 6.908 1.00 2.80 C ATOM 1010 CZ TYR A 62 19.678 -0.189 6.297 1.00 2.80 C ATOM 1011 OH TYR A 62 18.663 -1.004 5.854 1.00 3.54 O ATOM 0 H TYR A 62 24.499 3.643 8.999 1.00 1.25 H new ATOM 0 HA TYR A 62 21.652 3.721 8.913 1.00 1.31 H new ATOM 0 HB2 TYR A 62 23.015 3.148 6.969 1.00 1.39 H new ATOM 0 HB3 TYR A 62 23.736 1.796 7.819 1.00 1.39 H new ATOM 0 HD1 TYR A 62 20.506 3.065 6.461 1.00 2.03 H new ATOM 0 HD2 TYR A 62 22.667 -0.341 7.836 1.00 2.27 H new ATOM 0 HE1 TYR A 62 18.708 1.601 5.655 1.00 2.60 H new ATOM 0 HE2 TYR A 62 20.866 -1.806 7.033 1.00 2.80 H new ATOM 0 HH TYR A 62 18.888 -1.939 6.042 1.00 3.54 H new ATOM 1021 N THR A 63 23.117 1.343 10.660 1.00 1.55 N ATOM 1022 CA THR A 63 22.910 0.300 11.654 1.00 1.74 C ATOM 1023 C THR A 63 22.178 0.841 12.884 1.00 1.68 C ATOM 1024 O THR A 63 21.403 0.124 13.520 1.00 1.81 O ATOM 1025 CB THR A 63 24.256 -0.317 12.074 1.00 1.96 C ATOM 1026 OG1 THR A 63 25.093 -0.465 10.916 1.00 2.00 O ATOM 1027 CG2 THR A 63 24.053 -1.670 12.734 1.00 2.37 C ATOM 0 H THR A 63 24.098 1.532 10.454 1.00 1.55 H new ATOM 0 HA THR A 63 22.289 -0.472 11.200 1.00 1.74 H new ATOM 0 HB THR A 63 24.732 0.347 12.796 1.00 1.96 H new ATOM 0 HG1 THR A 63 25.952 -0.856 11.181 1.00 2.00 H new ATOM 0 HG21 THR A 63 25.020 -2.084 13.021 1.00 2.37 H new ATOM 0 HG22 THR A 63 23.431 -1.552 13.621 1.00 2.37 H new ATOM 0 HG23 THR A 63 23.562 -2.346 12.034 1.00 2.37 H new ATOM 1035 N TYR A 64 22.402 2.113 13.191 1.00 1.56 N ATOM 1036 CA TYR A 64 21.769 2.751 14.340 1.00 1.61 C ATOM 1037 C TYR A 64 20.864 3.895 13.880 1.00 1.32 C ATOM 1038 O TYR A 64 20.689 4.886 14.585 1.00 1.40 O ATOM 1039 CB TYR A 64 22.834 3.280 15.311 1.00 1.89 C ATOM 1040 CG TYR A 64 23.853 2.245 15.728 1.00 2.36 C ATOM 1041 CD1 TYR A 64 23.578 1.344 16.746 1.00 2.88 C ATOM 1042 CD2 TYR A 64 25.089 2.168 15.099 1.00 2.94 C ATOM 1043 CE1 TYR A 64 24.505 0.394 17.125 1.00 3.56 C ATOM 1044 CE2 TYR A 64 26.020 1.222 15.471 1.00 3.61 C ATOM 1045 CZ TYR A 64 25.723 0.340 16.485 1.00 3.79 C ATOM 1046 OH TYR A 64 26.653 -0.601 16.858 1.00 4.61 O ATOM 0 H TYR A 64 23.020 2.725 12.658 1.00 1.56 H new ATOM 0 HA TYR A 64 21.161 2.008 14.857 1.00 1.61 H new ATOM 0 HB2 TYR A 64 23.352 4.118 14.845 1.00 1.89 H new ATOM 0 HB3 TYR A 64 22.339 3.667 16.202 1.00 1.89 H new ATOM 0 HD1 TYR A 64 22.624 1.386 17.250 1.00 2.88 H new ATOM 0 HD2 TYR A 64 25.325 2.861 14.305 1.00 2.94 H new ATOM 0 HE1 TYR A 64 24.276 -0.302 17.918 1.00 3.56 H new ATOM 0 HE2 TYR A 64 26.976 1.173 14.970 1.00 3.61 H new ATOM 0 HH TYR A 64 27.457 -0.503 16.306 1.00 4.61 H new ATOM 1056 N GLY A 65 20.288 3.742 12.696 1.00 1.16 N ATOM 1057 CA GLY A 65 19.424 4.771 12.147 1.00 1.08 C ATOM 1058 C GLY A 65 17.999 4.686 12.653 1.00 1.03 C ATOM 1059 O GLY A 65 17.254 3.774 12.283 1.00 1.02 O ATOM 0 H GLY A 65 20.404 2.920 12.103 1.00 1.16 H new ATOM 0 HA2 GLY A 65 19.833 5.750 12.395 1.00 1.08 H new ATOM 0 HA3 GLY A 65 19.422 4.693 11.060 1.00 1.08 H new ATOM 1063 N GLU A 66 17.612 5.644 13.490 1.00 1.04 N ATOM 1064 CA GLU A 66 16.261 5.678 14.036 1.00 1.03 C ATOM 1065 C GLU A 66 15.253 5.911 12.919 1.00 0.98 C ATOM 1066 O GLU A 66 14.154 5.358 12.935 1.00 0.98 O ATOM 1067 CB GLU A 66 16.136 6.774 15.099 1.00 1.10 C ATOM 1068 CG GLU A 66 14.867 6.666 15.927 1.00 1.55 C ATOM 1069 CD GLU A 66 14.770 5.351 16.670 1.00 1.48 C ATOM 1070 OE1 GLU A 66 15.590 5.115 17.583 1.00 1.73 O ATOM 1071 OE2 GLU A 66 13.883 4.538 16.342 1.00 1.79 O ATOM 0 H GLU A 66 18.214 6.405 13.804 1.00 1.04 H new ATOM 0 HA GLU A 66 16.053 4.717 14.507 1.00 1.03 H new ATOM 0 HB2 GLU A 66 17.000 6.727 15.762 1.00 1.10 H new ATOM 0 HB3 GLU A 66 16.161 7.748 14.611 1.00 1.10 H new ATOM 0 HG2 GLU A 66 14.833 7.487 16.643 1.00 1.55 H new ATOM 0 HG3 GLU A 66 14.001 6.776 15.274 1.00 1.55 H new ATOM 1078 N GLU A 67 15.639 6.716 11.937 1.00 0.98 N ATOM 1079 CA GLU A 67 14.769 7.005 10.809 1.00 0.98 C ATOM 1080 C GLU A 67 14.457 5.727 10.041 1.00 0.95 C ATOM 1081 O GLU A 67 13.344 5.540 9.559 1.00 0.93 O ATOM 1082 CB GLU A 67 15.407 8.041 9.884 1.00 1.05 C ATOM 1083 CG GLU A 67 16.841 7.722 9.482 1.00 1.33 C ATOM 1084 CD GLU A 67 17.801 8.836 9.830 1.00 1.79 C ATOM 1085 OE1 GLU A 67 17.965 9.763 9.008 1.00 2.46 O ATOM 1086 OE2 GLU A 67 18.395 8.791 10.923 1.00 2.37 O ATOM 0 H GLU A 67 16.547 7.179 11.901 1.00 0.98 H new ATOM 0 HA GLU A 67 13.836 7.419 11.192 1.00 0.98 H new ATOM 0 HB2 GLU A 67 14.800 8.129 8.983 1.00 1.05 H new ATOM 0 HB3 GLU A 67 15.388 9.013 10.378 1.00 1.05 H new ATOM 0 HG2 GLU A 67 17.159 6.805 9.978 1.00 1.33 H new ATOM 0 HG3 GLU A 67 16.881 7.534 8.409 1.00 1.33 H new ATOM 1093 N ARG A 68 15.438 4.834 9.961 1.00 0.97 N ATOM 1094 CA ARG A 68 15.266 3.571 9.255 1.00 0.99 C ATOM 1095 C ARG A 68 14.212 2.723 9.963 1.00 0.96 C ATOM 1096 O ARG A 68 13.440 2.008 9.324 1.00 0.97 O ATOM 1097 CB ARG A 68 16.594 2.809 9.170 1.00 1.06 C ATOM 1098 CG ARG A 68 16.566 1.652 8.180 1.00 1.17 C ATOM 1099 CD ARG A 68 16.834 0.322 8.862 1.00 1.27 C ATOM 1100 NE ARG A 68 16.623 -0.811 7.961 1.00 1.43 N ATOM 1101 CZ ARG A 68 15.486 -1.506 7.890 1.00 1.40 C ATOM 1102 NH1 ARG A 68 14.432 -1.140 8.604 1.00 1.41 N ATOM 1103 NH2 ARG A 68 15.395 -2.563 7.097 1.00 1.70 N ATOM 0 H ARG A 68 16.361 4.962 10.377 1.00 0.97 H new ATOM 0 HA ARG A 68 14.932 3.782 8.239 1.00 0.99 H new ATOM 0 HB2 ARG A 68 17.385 3.503 8.884 1.00 1.06 H new ATOM 0 HB3 ARG A 68 16.848 2.426 10.158 1.00 1.06 H new ATOM 0 HG2 ARG A 68 15.595 1.619 7.687 1.00 1.17 H new ATOM 0 HG3 ARG A 68 17.312 1.820 7.403 1.00 1.17 H new ATOM 0 HD2 ARG A 68 17.859 0.305 9.231 1.00 1.27 H new ATOM 0 HD3 ARG A 68 16.181 0.222 9.729 1.00 1.27 H new ATOM 0 HE ARG A 68 17.392 -1.087 7.350 1.00 1.43 H new ATOM 0 HH11 ARG A 68 14.487 -0.323 9.212 1.00 1.41 H new ATOM 0 HH12 ARG A 68 13.566 -1.675 8.546 1.00 1.41 H new ATOM 0 HH21 ARG A 68 16.197 -2.850 6.536 1.00 1.70 H new ATOM 0 HH22 ARG A 68 14.523 -3.090 7.047 1.00 1.70 H new ATOM 1117 N LYS A 69 14.180 2.822 11.287 1.00 0.95 N ATOM 1118 CA LYS A 69 13.214 2.081 12.088 1.00 0.97 C ATOM 1119 C LYS A 69 11.826 2.697 11.929 1.00 0.91 C ATOM 1120 O LYS A 69 10.815 1.993 11.934 1.00 0.92 O ATOM 1121 CB LYS A 69 13.624 2.083 13.563 1.00 1.04 C ATOM 1122 CG LYS A 69 14.885 1.284 13.855 1.00 1.31 C ATOM 1123 CD LYS A 69 15.430 1.603 15.237 1.00 1.43 C ATOM 1124 CE LYS A 69 14.454 1.209 16.338 1.00 1.48 C ATOM 1125 NZ LYS A 69 14.453 2.196 17.448 1.00 1.54 N ATOM 0 H LYS A 69 14.814 3.410 11.829 1.00 0.95 H new ATOM 0 HA LYS A 69 13.190 1.049 11.738 1.00 0.97 H new ATOM 0 HB2 LYS A 69 13.776 3.113 13.886 1.00 1.04 H new ATOM 0 HB3 LYS A 69 12.805 1.680 14.158 1.00 1.04 H new ATOM 0 HG2 LYS A 69 14.668 0.218 13.784 1.00 1.31 H new ATOM 0 HG3 LYS A 69 15.642 1.506 13.103 1.00 1.31 H new ATOM 0 HD2 LYS A 69 16.374 1.079 15.385 1.00 1.43 H new ATOM 0 HD3 LYS A 69 15.643 2.670 15.306 1.00 1.43 H new ATOM 0 HE2 LYS A 69 13.450 1.127 15.922 1.00 1.48 H new ATOM 0 HE3 LYS A 69 14.720 0.225 16.725 1.00 1.48 H new ATOM 0 HZ1 LYS A 69 14.015 1.771 18.290 1.00 1.54 H new ATOM 0 HZ2 LYS A 69 15.431 2.471 17.669 1.00 1.54 H new ATOM 0 HZ3 LYS A 69 13.912 3.038 17.164 1.00 1.54 H new ATOM 1139 N LEU A 70 11.795 4.016 11.771 1.00 0.90 N ATOM 1140 CA LEU A 70 10.545 4.746 11.607 1.00 0.88 C ATOM 1141 C LEU A 70 9.887 4.389 10.281 1.00 0.85 C ATOM 1142 O LEU A 70 8.674 4.199 10.219 1.00 0.85 O ATOM 1143 CB LEU A 70 10.791 6.257 11.682 1.00 0.93 C ATOM 1144 CG LEU A 70 9.525 7.113 11.686 1.00 1.01 C ATOM 1145 CD1 LEU A 70 8.760 6.936 12.990 1.00 1.14 C ATOM 1146 CD2 LEU A 70 9.875 8.578 11.449 1.00 1.15 C ATOM 0 H LEU A 70 12.628 4.604 11.753 1.00 0.90 H new ATOM 0 HA LEU A 70 9.875 4.460 12.418 1.00 0.88 H new ATOM 0 HB2 LEU A 70 11.362 6.474 12.585 1.00 0.93 H new ATOM 0 HB3 LEU A 70 11.410 6.553 10.835 1.00 0.93 H new ATOM 0 HG LEU A 70 8.879 6.782 10.873 1.00 1.01 H new ATOM 0 HD11 LEU A 70 7.862 7.554 12.972 1.00 1.14 H new ATOM 0 HD12 LEU A 70 8.478 5.890 13.107 1.00 1.14 H new ATOM 0 HD13 LEU A 70 9.391 7.237 13.826 1.00 1.14 H new ATOM 0 HD21 LEU A 70 8.963 9.175 11.454 1.00 1.15 H new ATOM 0 HD22 LEU A 70 10.541 8.925 12.239 1.00 1.15 H new ATOM 0 HD23 LEU A 70 10.371 8.682 10.484 1.00 1.15 H new ATOM 1158 N TYR A 71 10.693 4.291 9.227 1.00 0.84 N ATOM 1159 CA TYR A 71 10.185 3.938 7.905 1.00 0.86 C ATOM 1160 C TYR A 71 9.653 2.510 7.922 1.00 0.85 C ATOM 1161 O TYR A 71 8.630 2.204 7.311 1.00 0.85 O ATOM 1162 CB TYR A 71 11.281 4.080 6.842 1.00 0.91 C ATOM 1163 CG TYR A 71 11.880 5.466 6.750 1.00 0.92 C ATOM 1164 CD1 TYR A 71 11.090 6.603 6.873 1.00 0.94 C ATOM 1165 CD2 TYR A 71 13.243 5.633 6.532 1.00 0.99 C ATOM 1166 CE1 TYR A 71 11.644 7.867 6.785 1.00 1.01 C ATOM 1167 CE2 TYR A 71 13.802 6.892 6.442 1.00 1.05 C ATOM 1168 CZ TYR A 71 13.001 8.003 6.570 1.00 1.05 C ATOM 1169 OH TYR A 71 13.556 9.256 6.481 1.00 1.16 O ATOM 0 H TYR A 71 11.700 4.451 9.263 1.00 0.84 H new ATOM 0 HA TYR A 71 9.375 4.622 7.651 1.00 0.86 H new ATOM 0 HB2 TYR A 71 12.076 3.366 7.058 1.00 0.91 H new ATOM 0 HB3 TYR A 71 10.866 3.810 5.871 1.00 0.91 H new ATOM 0 HD1 TYR A 71 10.028 6.498 7.040 1.00 0.94 H new ATOM 0 HD2 TYR A 71 13.875 4.763 6.431 1.00 0.99 H new ATOM 0 HE1 TYR A 71 11.019 8.742 6.884 1.00 1.01 H new ATOM 0 HE2 TYR A 71 14.863 7.004 6.272 1.00 1.05 H new ATOM 0 HH TYR A 71 14.521 9.176 6.329 1.00 1.16 H new ATOM 1179 N ASP A 72 10.344 1.647 8.649 1.00 0.86 N ATOM 1180 CA ASP A 72 9.945 0.249 8.766 1.00 0.90 C ATOM 1181 C ASP A 72 8.615 0.133 9.510 1.00 0.87 C ATOM 1182 O ASP A 72 7.742 -0.650 9.130 1.00 0.87 O ATOM 1183 CB ASP A 72 11.023 -0.541 9.502 1.00 0.98 C ATOM 1184 CG ASP A 72 11.094 -1.989 9.060 1.00 1.21 C ATOM 1185 OD1 ASP A 72 10.144 -2.749 9.322 1.00 1.47 O ATOM 1186 OD2 ASP A 72 12.120 -2.379 8.459 1.00 1.48 O ATOM 0 H ASP A 72 11.187 1.889 9.170 1.00 0.86 H new ATOM 0 HA ASP A 72 9.821 -0.162 7.764 1.00 0.90 H new ATOM 0 HB2 ASP A 72 11.991 -0.067 9.337 1.00 0.98 H new ATOM 0 HB3 ASP A 72 10.828 -0.502 10.574 1.00 0.98 H new ATOM 1191 N SER A 73 8.463 0.934 10.563 1.00 0.85 N ATOM 1192 CA SER A 73 7.247 0.938 11.365 1.00 0.85 C ATOM 1193 C SER A 73 6.075 1.502 10.568 1.00 0.81 C ATOM 1194 O SER A 73 4.917 1.157 10.816 1.00 0.80 O ATOM 1195 CB SER A 73 7.466 1.755 12.641 1.00 0.90 C ATOM 1196 OG SER A 73 8.597 1.282 13.359 1.00 0.96 O ATOM 0 H SER A 73 9.175 1.592 10.880 1.00 0.85 H new ATOM 0 HA SER A 73 7.008 -0.090 11.638 1.00 0.85 H new ATOM 0 HB2 SER A 73 7.606 2.805 12.385 1.00 0.90 H new ATOM 0 HB3 SER A 73 6.579 1.696 13.272 1.00 0.90 H new ATOM 0 HG SER A 73 9.414 1.505 12.866 1.00 0.96 H new ATOM 1202 N ALA A 74 6.383 2.364 9.604 1.00 0.80 N ATOM 1203 CA ALA A 74 5.360 2.961 8.760 1.00 0.79 C ATOM 1204 C ALA A 74 4.756 1.900 7.853 1.00 0.76 C ATOM 1205 O ALA A 74 3.569 1.944 7.531 1.00 0.75 O ATOM 1206 CB ALA A 74 5.938 4.110 7.943 1.00 0.82 C ATOM 0 H ALA A 74 7.334 2.663 9.390 1.00 0.80 H new ATOM 0 HA ALA A 74 4.572 3.368 9.394 1.00 0.79 H new ATOM 0 HB1 ALA A 74 5.156 4.542 7.319 1.00 0.82 H new ATOM 0 HB2 ALA A 74 6.329 4.874 8.615 1.00 0.82 H new ATOM 0 HB3 ALA A 74 6.743 3.737 7.310 1.00 0.82 H new ATOM 1212 N LEU A 75 5.588 0.943 7.453 1.00 0.77 N ATOM 1213 CA LEU A 75 5.144 -0.151 6.604 1.00 0.78 C ATOM 1214 C LEU A 75 4.172 -1.027 7.386 1.00 0.77 C ATOM 1215 O LEU A 75 3.189 -1.534 6.844 1.00 0.77 O ATOM 1216 CB LEU A 75 6.347 -0.974 6.122 1.00 0.83 C ATOM 1217 CG LEU A 75 6.200 -1.655 4.753 1.00 0.92 C ATOM 1218 CD1 LEU A 75 5.359 -2.916 4.865 1.00 1.13 C ATOM 1219 CD2 LEU A 75 5.590 -0.698 3.738 1.00 1.15 C ATOM 0 H LEU A 75 6.576 0.906 7.706 1.00 0.77 H new ATOM 0 HA LEU A 75 4.638 0.251 5.726 1.00 0.78 H new ATOM 0 HB2 LEU A 75 7.218 -0.319 6.087 1.00 0.83 H new ATOM 0 HB3 LEU A 75 6.556 -1.743 6.866 1.00 0.83 H new ATOM 0 HG LEU A 75 7.195 -1.936 4.407 1.00 0.92 H new ATOM 0 HD11 LEU A 75 5.268 -3.381 3.883 1.00 1.13 H new ATOM 0 HD12 LEU A 75 5.837 -3.612 5.554 1.00 1.13 H new ATOM 0 HD13 LEU A 75 4.367 -2.660 5.238 1.00 1.13 H new ATOM 0 HD21 LEU A 75 5.495 -1.201 2.775 1.00 1.15 H new ATOM 0 HD22 LEU A 75 4.605 -0.383 4.082 1.00 1.15 H new ATOM 0 HD23 LEU A 75 6.233 0.175 3.629 1.00 1.15 H new ATOM 1231 N SER A 76 4.447 -1.178 8.673 1.00 0.78 N ATOM 1232 CA SER A 76 3.603 -1.969 9.548 1.00 0.80 C ATOM 1233 C SER A 76 2.217 -1.331 9.660 1.00 0.76 C ATOM 1234 O SER A 76 1.211 -2.030 9.765 1.00 0.77 O ATOM 1235 CB SER A 76 4.263 -2.100 10.917 1.00 0.85 C ATOM 1236 OG SER A 76 5.655 -2.354 10.777 1.00 0.88 O ATOM 0 H SER A 76 5.254 -0.759 9.134 1.00 0.78 H new ATOM 0 HA SER A 76 3.479 -2.968 9.129 1.00 0.80 H new ATOM 0 HB2 SER A 76 4.110 -1.185 11.490 1.00 0.85 H new ATOM 0 HB3 SER A 76 3.794 -2.909 11.477 1.00 0.85 H new ATOM 0 HG SER A 76 6.064 -2.434 11.664 1.00 0.88 H new ATOM 1242 N LYS A 77 2.174 0.002 9.603 1.00 0.75 N ATOM 1243 CA LYS A 77 0.913 0.739 9.670 1.00 0.74 C ATOM 1244 C LYS A 77 0.039 0.384 8.478 1.00 0.71 C ATOM 1245 O LYS A 77 -1.184 0.285 8.597 1.00 0.70 O ATOM 1246 CB LYS A 77 1.168 2.246 9.684 1.00 0.76 C ATOM 1247 CG LYS A 77 1.446 2.825 11.061 1.00 0.90 C ATOM 1248 CD LYS A 77 1.839 4.291 10.964 1.00 0.98 C ATOM 1249 CE LYS A 77 1.949 4.931 12.335 1.00 1.35 C ATOM 1250 NZ LYS A 77 3.067 5.910 12.392 1.00 1.61 N ATOM 0 H LYS A 77 3.000 0.593 9.510 1.00 0.75 H new ATOM 0 HA LYS A 77 0.403 0.460 10.592 1.00 0.74 H new ATOM 0 HB2 LYS A 77 2.015 2.464 9.034 1.00 0.76 H new ATOM 0 HB3 LYS A 77 0.301 2.752 9.259 1.00 0.76 H new ATOM 0 HG2 LYS A 77 0.561 2.722 11.689 1.00 0.90 H new ATOM 0 HG3 LYS A 77 2.245 2.261 11.542 1.00 0.90 H new ATOM 0 HD2 LYS A 77 2.792 4.379 10.443 1.00 0.98 H new ATOM 0 HD3 LYS A 77 1.100 4.828 10.369 1.00 0.98 H new ATOM 0 HE2 LYS A 77 1.012 5.432 12.580 1.00 1.35 H new ATOM 0 HE3 LYS A 77 2.103 4.157 13.087 1.00 1.35 H new ATOM 0 HZ1 LYS A 77 3.114 6.329 13.343 1.00 1.61 H new ATOM 0 HZ2 LYS A 77 3.963 5.426 12.182 1.00 1.61 H new ATOM 0 HZ3 LYS A 77 2.907 6.661 11.691 1.00 1.61 H new ATOM 1264 N ILE A 78 0.684 0.204 7.330 1.00 0.71 N ATOM 1265 CA ILE A 78 -0.011 -0.163 6.105 1.00 0.71 C ATOM 1266 C ILE A 78 -0.640 -1.543 6.258 1.00 0.70 C ATOM 1267 O ILE A 78 -1.793 -1.755 5.884 1.00 0.69 O ATOM 1268 CB ILE A 78 0.951 -0.176 4.898 1.00 0.77 C ATOM 1269 CG1 ILE A 78 1.648 1.180 4.744 1.00 1.04 C ATOM 1270 CG2 ILE A 78 0.212 -0.548 3.622 1.00 0.84 C ATOM 1271 CD1 ILE A 78 0.750 2.285 4.225 1.00 1.33 C ATOM 0 H ILE A 78 1.693 0.308 7.224 1.00 0.71 H new ATOM 0 HA ILE A 78 -0.786 0.582 5.925 1.00 0.71 H new ATOM 0 HB ILE A 78 1.714 -0.932 5.082 1.00 0.77 H new ATOM 0 HG12 ILE A 78 2.052 1.480 5.711 1.00 1.04 H new ATOM 0 HG13 ILE A 78 2.494 1.066 4.066 1.00 1.04 H new ATOM 0 HG21 ILE A 78 0.910 -0.551 2.785 1.00 0.84 H new ATOM 0 HG22 ILE A 78 -0.227 -1.540 3.732 1.00 0.84 H new ATOM 0 HG23 ILE A 78 -0.578 0.179 3.434 1.00 0.84 H new ATOM 0 HD11 ILE A 78 1.321 3.210 4.145 1.00 1.33 H new ATOM 0 HD12 ILE A 78 0.365 2.010 3.243 1.00 1.33 H new ATOM 0 HD13 ILE A 78 -0.083 2.430 4.913 1.00 1.33 H new ATOM 1283 N GLU A 79 0.130 -2.467 6.831 1.00 0.72 N ATOM 1284 CA GLU A 79 -0.333 -3.831 7.063 1.00 0.74 C ATOM 1285 C GLU A 79 -1.589 -3.816 7.934 1.00 0.73 C ATOM 1286 O GLU A 79 -2.528 -4.575 7.709 1.00 0.74 O ATOM 1287 CB GLU A 79 0.775 -4.649 7.741 1.00 0.79 C ATOM 1288 CG GLU A 79 0.375 -6.074 8.101 1.00 1.00 C ATOM 1289 CD GLU A 79 0.267 -6.983 6.893 1.00 1.32 C ATOM 1290 OE1 GLU A 79 1.293 -7.208 6.220 1.00 1.95 O ATOM 1291 OE2 GLU A 79 -0.842 -7.487 6.615 1.00 1.93 O ATOM 0 H GLU A 79 1.085 -2.292 7.145 1.00 0.72 H new ATOM 0 HA GLU A 79 -0.577 -4.293 6.106 1.00 0.74 H new ATOM 0 HB2 GLU A 79 1.641 -4.684 7.079 1.00 0.79 H new ATOM 0 HB3 GLU A 79 1.088 -4.132 8.648 1.00 0.79 H new ATOM 0 HG2 GLU A 79 1.108 -6.487 8.795 1.00 1.00 H new ATOM 0 HG3 GLU A 79 -0.582 -6.056 8.622 1.00 1.00 H new ATOM 1298 N LYS A 80 -1.608 -2.916 8.910 1.00 0.72 N ATOM 1299 CA LYS A 80 -2.741 -2.794 9.817 1.00 0.73 C ATOM 1300 C LYS A 80 -3.974 -2.273 9.084 1.00 0.72 C ATOM 1301 O LYS A 80 -5.105 -2.632 9.422 1.00 0.75 O ATOM 1302 CB LYS A 80 -2.395 -1.858 10.970 1.00 0.74 C ATOM 1303 CG LYS A 80 -1.134 -2.252 11.716 1.00 0.81 C ATOM 1304 CD LYS A 80 -0.694 -1.161 12.672 1.00 0.96 C ATOM 1305 CE LYS A 80 -1.378 -1.298 14.020 1.00 1.35 C ATOM 1306 NZ LYS A 80 -0.717 -2.316 14.881 1.00 1.71 N ATOM 0 H LYS A 80 -0.850 -2.259 9.093 1.00 0.72 H new ATOM 0 HA LYS A 80 -2.965 -3.785 10.212 1.00 0.73 H new ATOM 0 HB2 LYS A 80 -2.276 -0.846 10.582 1.00 0.74 H new ATOM 0 HB3 LYS A 80 -3.229 -1.835 11.671 1.00 0.74 H new ATOM 0 HG2 LYS A 80 -1.310 -3.174 12.270 1.00 0.81 H new ATOM 0 HG3 LYS A 80 -0.336 -2.456 11.002 1.00 0.81 H new ATOM 0 HD2 LYS A 80 0.387 -1.205 12.804 1.00 0.96 H new ATOM 0 HD3 LYS A 80 -0.923 -0.185 12.243 1.00 0.96 H new ATOM 0 HE2 LYS A 80 -1.372 -0.334 14.529 1.00 1.35 H new ATOM 0 HE3 LYS A 80 -2.422 -1.573 13.870 1.00 1.35 H new ATOM 0 HZ1 LYS A 80 -1.216 -2.377 15.791 1.00 1.71 H new ATOM 0 HZ2 LYS A 80 -0.745 -3.242 14.408 1.00 1.71 H new ATOM 0 HZ3 LYS A 80 0.272 -2.041 15.046 1.00 1.71 H new ATOM 1320 N LEU A 81 -3.753 -1.420 8.088 1.00 0.69 N ATOM 1321 CA LEU A 81 -4.842 -0.858 7.300 1.00 0.71 C ATOM 1322 C LEU A 81 -5.489 -1.972 6.489 1.00 0.72 C ATOM 1323 O LEU A 81 -6.715 -2.091 6.426 1.00 0.76 O ATOM 1324 CB LEU A 81 -4.316 0.252 6.377 1.00 0.71 C ATOM 1325 CG LEU A 81 -5.267 1.429 6.117 1.00 0.78 C ATOM 1326 CD1 LEU A 81 -6.501 0.979 5.351 1.00 1.00 C ATOM 1327 CD2 LEU A 81 -5.665 2.099 7.423 1.00 0.94 C ATOM 0 H LEU A 81 -2.825 -1.103 7.808 1.00 0.69 H new ATOM 0 HA LEU A 81 -5.586 -0.416 7.963 1.00 0.71 H new ATOM 0 HB2 LEU A 81 -3.394 0.645 6.806 1.00 0.71 H new ATOM 0 HB3 LEU A 81 -4.056 -0.196 5.418 1.00 0.71 H new ATOM 0 HG LEU A 81 -4.736 2.157 5.504 1.00 0.78 H new ATOM 0 HD11 LEU A 81 -7.156 1.834 5.182 1.00 1.00 H new ATOM 0 HD12 LEU A 81 -6.200 0.557 4.392 1.00 1.00 H new ATOM 0 HD13 LEU A 81 -7.033 0.224 5.929 1.00 1.00 H new ATOM 0 HD21 LEU A 81 -6.339 2.930 7.215 1.00 0.94 H new ATOM 0 HD22 LEU A 81 -6.168 1.376 8.064 1.00 0.94 H new ATOM 0 HD23 LEU A 81 -4.773 2.472 7.927 1.00 0.94 H new ATOM 1339 N ILE A 82 -4.649 -2.811 5.897 1.00 0.72 N ATOM 1340 CA ILE A 82 -5.115 -3.938 5.107 1.00 0.76 C ATOM 1341 C ILE A 82 -5.849 -4.919 6.018 1.00 0.80 C ATOM 1342 O ILE A 82 -6.823 -5.561 5.614 1.00 0.84 O ATOM 1343 CB ILE A 82 -3.939 -4.646 4.395 1.00 0.75 C ATOM 1344 CG1 ILE A 82 -3.115 -3.619 3.606 1.00 0.74 C ATOM 1345 CG2 ILE A 82 -4.448 -5.749 3.477 1.00 0.80 C ATOM 1346 CD1 ILE A 82 -1.934 -4.206 2.857 1.00 0.77 C ATOM 0 H ILE A 82 -3.634 -2.729 5.951 1.00 0.72 H new ATOM 0 HA ILE A 82 -5.794 -3.571 4.338 1.00 0.76 H new ATOM 0 HB ILE A 82 -3.299 -5.107 5.147 1.00 0.75 H new ATOM 0 HG12 ILE A 82 -3.769 -3.117 2.893 1.00 0.74 H new ATOM 0 HG13 ILE A 82 -2.750 -2.857 4.295 1.00 0.74 H new ATOM 0 HG21 ILE A 82 -3.603 -6.233 2.987 1.00 0.80 H new ATOM 0 HG22 ILE A 82 -4.998 -6.485 4.063 1.00 0.80 H new ATOM 0 HG23 ILE A 82 -5.108 -5.319 2.723 1.00 0.80 H new ATOM 0 HD11 ILE A 82 -1.408 -3.412 2.327 1.00 0.77 H new ATOM 0 HD12 ILE A 82 -1.255 -4.682 3.564 1.00 0.77 H new ATOM 0 HD13 ILE A 82 -2.289 -4.946 2.140 1.00 0.77 H new ATOM 1358 N GLU A 83 -5.387 -4.995 7.259 1.00 0.80 N ATOM 1359 CA GLU A 83 -5.987 -5.859 8.267 1.00 0.86 C ATOM 1360 C GLU A 83 -7.399 -5.377 8.604 1.00 0.85 C ATOM 1361 O GLU A 83 -8.264 -6.166 8.979 1.00 0.90 O ATOM 1362 CB GLU A 83 -5.118 -5.857 9.528 1.00 0.90 C ATOM 1363 CG GLU A 83 -5.492 -6.922 10.546 1.00 1.24 C ATOM 1364 CD GLU A 83 -4.831 -8.256 10.261 1.00 1.70 C ATOM 1365 OE1 GLU A 83 -5.390 -9.046 9.477 1.00 2.36 O ATOM 1366 OE2 GLU A 83 -3.754 -8.521 10.839 1.00 2.18 O ATOM 0 H GLU A 83 -4.586 -4.460 7.595 1.00 0.80 H new ATOM 0 HA GLU A 83 -6.050 -6.874 7.874 1.00 0.86 H new ATOM 0 HB2 GLU A 83 -4.077 -5.998 9.238 1.00 0.90 H new ATOM 0 HB3 GLU A 83 -5.187 -4.878 10.002 1.00 0.90 H new ATOM 0 HG2 GLU A 83 -5.206 -6.584 11.542 1.00 1.24 H new ATOM 0 HG3 GLU A 83 -6.574 -7.050 10.551 1.00 1.24 H new ATOM 1373 N THR A 84 -7.625 -4.075 8.454 1.00 0.82 N ATOM 1374 CA THR A 84 -8.927 -3.479 8.734 1.00 0.84 C ATOM 1375 C THR A 84 -9.954 -3.899 7.685 1.00 0.89 C ATOM 1376 O THR A 84 -11.123 -4.153 7.998 1.00 0.92 O ATOM 1377 CB THR A 84 -8.839 -1.940 8.773 1.00 0.83 C ATOM 1378 OG1 THR A 84 -7.672 -1.541 9.503 1.00 0.84 O ATOM 1379 CG2 THR A 84 -10.077 -1.336 9.421 1.00 0.85 C ATOM 0 H THR A 84 -6.919 -3.410 8.138 1.00 0.82 H new ATOM 0 HA THR A 84 -9.244 -3.840 9.712 1.00 0.84 H new ATOM 0 HB THR A 84 -8.776 -1.576 7.748 1.00 0.83 H new ATOM 0 HG1 THR A 84 -7.618 -0.563 9.524 1.00 0.84 H new ATOM 0 HG21 THR A 84 -9.987 -0.250 9.435 1.00 0.85 H new ATOM 0 HG22 THR A 84 -10.961 -1.620 8.851 1.00 0.85 H new ATOM 0 HG23 THR A 84 -10.170 -1.705 10.442 1.00 0.85 H new ATOM 1387 N LEU A 85 -9.507 -3.972 6.438 1.00 0.93 N ATOM 1388 CA LEU A 85 -10.374 -4.358 5.332 1.00 1.01 C ATOM 1389 C LEU A 85 -10.614 -5.862 5.330 1.00 1.08 C ATOM 1390 O LEU A 85 -11.621 -6.340 4.806 1.00 1.17 O ATOM 1391 CB LEU A 85 -9.753 -3.927 4.002 1.00 1.04 C ATOM 1392 CG LEU A 85 -9.579 -2.416 3.825 1.00 1.05 C ATOM 1393 CD1 LEU A 85 -8.718 -2.118 2.612 1.00 1.22 C ATOM 1394 CD2 LEU A 85 -10.930 -1.731 3.695 1.00 1.13 C ATOM 0 H LEU A 85 -8.545 -3.768 6.166 1.00 0.93 H new ATOM 0 HA LEU A 85 -11.333 -3.856 5.459 1.00 1.01 H new ATOM 0 HB2 LEU A 85 -8.778 -4.403 3.903 1.00 1.04 H new ATOM 0 HB3 LEU A 85 -10.375 -4.303 3.190 1.00 1.04 H new ATOM 0 HG LEU A 85 -9.079 -2.025 4.711 1.00 1.05 H new ATOM 0 HD11 LEU A 85 -8.605 -1.039 2.502 1.00 1.22 H new ATOM 0 HD12 LEU A 85 -7.737 -2.574 2.742 1.00 1.22 H new ATOM 0 HD13 LEU A 85 -9.193 -2.526 1.720 1.00 1.22 H new ATOM 0 HD21 LEU A 85 -10.783 -0.658 3.570 1.00 1.13 H new ATOM 0 HD22 LEU A 85 -11.458 -2.129 2.828 1.00 1.13 H new ATOM 0 HD23 LEU A 85 -11.519 -1.915 4.594 1.00 1.13 H new ATOM 1406 N SER A 86 -9.680 -6.595 5.914 1.00 1.18 N ATOM 1407 CA SER A 86 -9.779 -8.038 5.997 1.00 1.31 C ATOM 1408 C SER A 86 -10.756 -8.438 7.099 1.00 1.73 C ATOM 1409 O SER A 86 -10.650 -7.962 8.230 1.00 2.31 O ATOM 1410 CB SER A 86 -8.396 -8.638 6.262 1.00 1.71 C ATOM 1411 OG SER A 86 -7.461 -8.217 5.273 1.00 1.97 O ATOM 0 H SER A 86 -8.838 -6.207 6.340 1.00 1.18 H new ATOM 0 HA SER A 86 -10.154 -8.425 5.049 1.00 1.31 H new ATOM 0 HB2 SER A 86 -8.047 -8.336 7.250 1.00 1.71 H new ATOM 0 HB3 SER A 86 -8.462 -9.726 6.266 1.00 1.71 H new ATOM 0 HG SER A 86 -7.149 -7.312 5.482 1.00 1.97 H new ATOM 1914 N LYS B 10 16.687 15.004 1.633 1.00 1.52 N ATOM 1915 CA LYS B 10 16.073 14.367 2.794 1.00 1.44 C ATOM 1916 C LYS B 10 14.669 14.913 3.049 1.00 1.38 C ATOM 1917 O LYS B 10 13.737 14.152 3.301 1.00 1.32 O ATOM 1918 CB LYS B 10 16.954 14.568 4.035 1.00 1.48 C ATOM 1919 CG LYS B 10 16.568 13.685 5.218 1.00 1.54 C ATOM 1920 CD LYS B 10 16.642 12.202 4.866 1.00 1.71 C ATOM 1921 CE LYS B 10 16.573 11.320 6.105 1.00 2.08 C ATOM 1922 NZ LYS B 10 17.851 11.324 6.860 1.00 2.41 N ATOM 0 HA LYS B 10 15.986 13.300 2.586 1.00 1.44 H new ATOM 0 HB2 LYS B 10 17.992 14.367 3.768 1.00 1.48 H new ATOM 0 HB3 LYS B 10 16.900 15.613 4.341 1.00 1.48 H new ATOM 0 HG2 LYS B 10 17.231 13.893 6.058 1.00 1.54 H new ATOM 0 HG3 LYS B 10 15.557 13.932 5.541 1.00 1.54 H new ATOM 0 HD2 LYS B 10 15.823 11.947 4.193 1.00 1.71 H new ATOM 0 HD3 LYS B 10 17.569 12.002 4.329 1.00 1.71 H new ATOM 0 HE2 LYS B 10 15.768 11.667 6.753 1.00 2.08 H new ATOM 0 HE3 LYS B 10 16.329 10.299 5.811 1.00 2.08 H new ATOM 0 HZ1 LYS B 10 17.746 10.753 7.723 1.00 2.41 H new ATOM 0 HZ2 LYS B 10 18.605 10.922 6.268 1.00 2.41 H new ATOM 0 HZ3 LYS B 10 18.098 12.300 7.119 1.00 2.41 H new ATOM 1936 N GLU B 11 14.519 16.231 2.965 1.00 1.42 N ATOM 1937 CA GLU B 11 13.226 16.867 3.189 1.00 1.39 C ATOM 1938 C GLU B 11 12.249 16.494 2.078 1.00 1.36 C ATOM 1939 O GLU B 11 11.044 16.394 2.301 1.00 1.30 O ATOM 1940 CB GLU B 11 13.385 18.387 3.250 1.00 1.47 C ATOM 1941 CG GLU B 11 12.179 19.108 3.835 1.00 1.48 C ATOM 1942 CD GLU B 11 11.950 20.466 3.204 1.00 1.62 C ATOM 1943 OE1 GLU B 11 12.900 21.277 3.166 1.00 1.72 O ATOM 1944 OE2 GLU B 11 10.823 20.723 2.729 1.00 1.90 O ATOM 0 H GLU B 11 15.276 16.878 2.744 1.00 1.42 H new ATOM 0 HA GLU B 11 12.830 16.513 4.141 1.00 1.39 H new ATOM 0 HB2 GLU B 11 14.265 18.627 3.847 1.00 1.47 H new ATOM 0 HB3 GLU B 11 13.569 18.764 2.244 1.00 1.47 H new ATOM 0 HG2 GLU B 11 11.290 18.493 3.697 1.00 1.48 H new ATOM 0 HG3 GLU B 11 12.319 19.229 4.909 1.00 1.48 H new ATOM 1951 N LEU B 12 12.787 16.280 0.880 1.00 1.43 N ATOM 1952 CA LEU B 12 11.977 15.923 -0.274 1.00 1.45 C ATOM 1953 C LEU B 12 11.275 14.587 -0.052 1.00 1.36 C ATOM 1954 O LEU B 12 10.049 14.505 -0.125 1.00 1.32 O ATOM 1955 CB LEU B 12 12.848 15.865 -1.533 1.00 1.57 C ATOM 1956 CG LEU B 12 12.113 15.546 -2.838 1.00 1.73 C ATOM 1957 CD1 LEU B 12 11.058 16.598 -3.128 1.00 1.89 C ATOM 1958 CD2 LEU B 12 13.102 15.449 -3.990 1.00 1.89 C ATOM 0 H LEU B 12 13.786 16.349 0.686 1.00 1.43 H new ATOM 0 HA LEU B 12 11.214 16.690 -0.408 1.00 1.45 H new ATOM 0 HB2 LEU B 12 13.352 16.824 -1.647 1.00 1.57 H new ATOM 0 HB3 LEU B 12 13.623 15.114 -1.381 1.00 1.57 H new ATOM 0 HG LEU B 12 11.613 14.584 -2.728 1.00 1.73 H new ATOM 0 HD11 LEU B 12 10.547 16.354 -4.059 1.00 1.89 H new ATOM 0 HD12 LEU B 12 10.335 16.623 -2.313 1.00 1.89 H new ATOM 0 HD13 LEU B 12 11.534 17.574 -3.221 1.00 1.89 H new ATOM 0 HD21 LEU B 12 12.566 15.222 -4.912 1.00 1.89 H new ATOM 0 HD22 LEU B 12 13.627 16.398 -4.100 1.00 1.89 H new ATOM 0 HD23 LEU B 12 13.823 14.658 -3.785 1.00 1.89 H new ATOM 1970 N LEU B 13 12.051 13.551 0.246 1.00 1.35 N ATOM 1971 CA LEU B 13 11.489 12.223 0.466 1.00 1.30 C ATOM 1972 C LEU B 13 10.624 12.194 1.722 1.00 1.18 C ATOM 1973 O LEU B 13 9.581 11.541 1.751 1.00 1.15 O ATOM 1974 CB LEU B 13 12.599 11.162 0.548 1.00 1.35 C ATOM 1975 CG LEU B 13 13.648 11.350 1.655 1.00 1.32 C ATOM 1976 CD1 LEU B 13 13.294 10.512 2.878 1.00 1.48 C ATOM 1977 CD2 LEU B 13 15.035 10.982 1.142 1.00 1.50 C ATOM 0 H LEU B 13 13.065 13.604 0.340 1.00 1.35 H new ATOM 0 HA LEU B 13 10.854 11.986 -0.388 1.00 1.30 H new ATOM 0 HB2 LEU B 13 12.130 10.188 0.685 1.00 1.35 H new ATOM 0 HB3 LEU B 13 13.116 11.135 -0.411 1.00 1.35 H new ATOM 0 HG LEU B 13 13.653 12.400 1.948 1.00 1.32 H new ATOM 0 HD11 LEU B 13 14.049 10.659 3.651 1.00 1.48 H new ATOM 0 HD12 LEU B 13 12.320 10.818 3.259 1.00 1.48 H new ATOM 0 HD13 LEU B 13 13.260 9.459 2.600 1.00 1.48 H new ATOM 0 HD21 LEU B 13 15.766 11.121 1.938 1.00 1.50 H new ATOM 0 HD22 LEU B 13 15.040 9.940 0.822 1.00 1.50 H new ATOM 0 HD23 LEU B 13 15.292 11.622 0.298 1.00 1.50 H new ATOM 1989 N LEU B 14 11.050 12.921 2.747 1.00 1.15 N ATOM 1990 CA LEU B 14 10.322 12.968 4.005 1.00 1.07 C ATOM 1991 C LEU B 14 8.928 13.542 3.804 1.00 1.07 C ATOM 1992 O LEU B 14 7.942 12.979 4.268 1.00 1.02 O ATOM 1993 CB LEU B 14 11.084 13.802 5.033 1.00 1.08 C ATOM 1994 CG LEU B 14 10.625 13.636 6.481 1.00 1.04 C ATOM 1995 CD1 LEU B 14 10.773 12.187 6.929 1.00 1.06 C ATOM 1996 CD2 LEU B 14 11.422 14.557 7.386 1.00 1.14 C ATOM 0 H LEU B 14 11.898 13.487 2.730 1.00 1.15 H new ATOM 0 HA LEU B 14 10.227 11.948 4.376 1.00 1.07 H new ATOM 0 HB2 LEU B 14 12.141 13.544 4.973 1.00 1.08 H new ATOM 0 HB3 LEU B 14 10.996 14.854 4.760 1.00 1.08 H new ATOM 0 HG LEU B 14 9.571 13.905 6.546 1.00 1.04 H new ATOM 0 HD11 LEU B 14 10.441 12.090 7.963 1.00 1.06 H new ATOM 0 HD12 LEU B 14 10.166 11.545 6.291 1.00 1.06 H new ATOM 0 HD13 LEU B 14 11.819 11.888 6.854 1.00 1.06 H new ATOM 0 HD21 LEU B 14 11.089 14.433 8.416 1.00 1.14 H new ATOM 0 HD22 LEU B 14 12.481 14.310 7.315 1.00 1.14 H new ATOM 0 HD23 LEU B 14 11.269 15.591 7.078 1.00 1.14 H new ATOM 2008 N LYS B 15 8.856 14.661 3.098 1.00 1.15 N ATOM 2009 CA LYS B 15 7.585 15.321 2.832 1.00 1.18 C ATOM 2010 C LYS B 15 6.717 14.461 1.916 1.00 1.13 C ATOM 2011 O LYS B 15 5.507 14.344 2.116 1.00 1.11 O ATOM 2012 CB LYS B 15 7.840 16.689 2.201 1.00 1.32 C ATOM 2013 CG LYS B 15 6.587 17.521 2.001 1.00 1.46 C ATOM 2014 CD LYS B 15 6.876 19.007 2.159 1.00 1.55 C ATOM 2015 CE LYS B 15 7.885 19.495 1.131 1.00 1.76 C ATOM 2016 NZ LYS B 15 8.435 20.826 1.489 1.00 1.80 N ATOM 0 H LYS B 15 9.666 15.133 2.697 1.00 1.15 H new ATOM 0 HA LYS B 15 7.051 15.458 3.773 1.00 1.18 H new ATOM 0 HB2 LYS B 15 8.535 17.244 2.831 1.00 1.32 H new ATOM 0 HB3 LYS B 15 8.327 16.547 1.236 1.00 1.32 H new ATOM 0 HG2 LYS B 15 6.177 17.332 1.009 1.00 1.46 H new ATOM 0 HG3 LYS B 15 5.828 17.218 2.722 1.00 1.46 H new ATOM 0 HD2 LYS B 15 5.949 19.571 2.056 1.00 1.55 H new ATOM 0 HD3 LYS B 15 7.256 19.199 3.162 1.00 1.55 H new ATOM 0 HE2 LYS B 15 8.699 18.775 1.050 1.00 1.76 H new ATOM 0 HE3 LYS B 15 7.409 19.549 0.152 1.00 1.76 H new ATOM 0 HZ1 LYS B 15 8.291 21.485 0.698 1.00 1.80 H new ATOM 0 HZ2 LYS B 15 7.948 21.187 2.334 1.00 1.80 H new ATOM 0 HZ3 LYS B 15 9.452 20.739 1.687 1.00 1.80 H new ATOM 2030 N LYS B 16 7.351 13.847 0.924 1.00 1.14 N ATOM 2031 CA LYS B 16 6.652 12.989 -0.031 1.00 1.14 C ATOM 2032 C LYS B 16 5.976 11.817 0.679 1.00 1.03 C ATOM 2033 O LYS B 16 4.802 11.531 0.445 1.00 1.01 O ATOM 2034 CB LYS B 16 7.628 12.452 -1.078 1.00 1.22 C ATOM 2035 CG LYS B 16 7.946 13.430 -2.197 1.00 1.31 C ATOM 2036 CD LYS B 16 6.928 13.342 -3.318 1.00 1.30 C ATOM 2037 CE LYS B 16 7.438 14.019 -4.578 1.00 1.45 C ATOM 2038 NZ LYS B 16 6.430 13.995 -5.665 1.00 1.65 N ATOM 0 H LYS B 16 8.354 13.927 0.758 1.00 1.14 H new ATOM 0 HA LYS B 16 5.888 13.591 -0.522 1.00 1.14 H new ATOM 0 HB2 LYS B 16 8.557 12.172 -0.582 1.00 1.22 H new ATOM 0 HB3 LYS B 16 7.212 11.543 -1.513 1.00 1.22 H new ATOM 0 HG2 LYS B 16 7.965 14.445 -1.800 1.00 1.31 H new ATOM 0 HG3 LYS B 16 8.941 13.223 -2.591 1.00 1.31 H new ATOM 0 HD2 LYS B 16 6.705 12.296 -3.529 1.00 1.30 H new ATOM 0 HD3 LYS B 16 5.995 13.810 -3.003 1.00 1.30 H new ATOM 0 HE2 LYS B 16 7.705 15.052 -4.353 1.00 1.45 H new ATOM 0 HE3 LYS B 16 8.347 13.521 -4.915 1.00 1.45 H new ATOM 0 HZ1 LYS B 16 6.817 14.467 -6.507 1.00 1.65 H new ATOM 0 HZ2 LYS B 16 6.194 13.009 -5.898 1.00 1.65 H new ATOM 0 HZ3 LYS B 16 5.571 14.492 -5.353 1.00 1.65 H new ATOM 2052 N ILE B 17 6.723 11.154 1.554 1.00 0.98 N ATOM 2053 CA ILE B 17 6.201 10.007 2.283 1.00 0.92 C ATOM 2054 C ILE B 17 5.208 10.418 3.369 1.00 0.89 C ATOM 2055 O ILE B 17 4.206 9.736 3.581 1.00 0.86 O ATOM 2056 CB ILE B 17 7.343 9.178 2.906 1.00 0.94 C ATOM 2057 CG1 ILE B 17 8.315 8.734 1.813 1.00 1.00 C ATOM 2058 CG2 ILE B 17 6.791 7.974 3.657 1.00 1.00 C ATOM 2059 CD1 ILE B 17 9.424 7.835 2.305 1.00 0.96 C ATOM 0 H ILE B 17 7.690 11.391 1.775 1.00 0.98 H new ATOM 0 HA ILE B 17 5.670 9.392 1.556 1.00 0.92 H new ATOM 0 HB ILE B 17 7.878 9.801 3.623 1.00 0.94 H new ATOM 0 HG12 ILE B 17 7.757 8.213 1.035 1.00 1.00 H new ATOM 0 HG13 ILE B 17 8.755 9.618 1.352 1.00 1.00 H new ATOM 0 HG21 ILE B 17 7.615 7.405 4.088 1.00 1.00 H new ATOM 0 HG22 ILE B 17 6.130 8.314 4.454 1.00 1.00 H new ATOM 0 HG23 ILE B 17 6.233 7.340 2.968 1.00 1.00 H new ATOM 0 HD11 ILE B 17 10.070 7.564 1.470 1.00 0.96 H new ATOM 0 HD12 ILE B 17 10.009 8.359 3.061 1.00 0.96 H new ATOM 0 HD13 ILE B 17 8.995 6.932 2.739 1.00 0.96 H new ATOM 2071 N ASP B 18 5.470 11.530 4.050 1.00 0.94 N ATOM 2072 CA ASP B 18 4.582 12.005 5.117 1.00 0.99 C ATOM 2073 C ASP B 18 3.166 12.245 4.599 1.00 0.96 C ATOM 2074 O ASP B 18 2.190 11.786 5.189 1.00 0.94 O ATOM 2075 CB ASP B 18 5.133 13.292 5.740 1.00 1.14 C ATOM 2076 CG ASP B 18 4.282 13.808 6.881 1.00 1.29 C ATOM 2077 OD1 ASP B 18 4.343 13.229 7.986 1.00 1.88 O ATOM 2078 OD2 ASP B 18 3.567 14.816 6.690 1.00 1.59 O ATOM 0 H ASP B 18 6.286 12.120 3.886 1.00 0.94 H new ATOM 0 HA ASP B 18 4.539 11.227 5.879 1.00 0.99 H new ATOM 0 HB2 ASP B 18 6.145 13.110 6.102 1.00 1.14 H new ATOM 0 HB3 ASP B 18 5.204 14.060 4.970 1.00 1.14 H new ATOM 2083 N SER B 19 3.057 12.958 3.486 1.00 0.98 N ATOM 2084 CA SER B 19 1.757 13.246 2.893 1.00 0.99 C ATOM 2085 C SER B 19 1.121 11.974 2.336 1.00 0.91 C ATOM 2086 O SER B 19 -0.103 11.837 2.317 1.00 0.90 O ATOM 2087 CB SER B 19 1.905 14.282 1.782 1.00 1.10 C ATOM 2088 OG SER B 19 2.669 15.392 2.223 1.00 1.21 O ATOM 0 H SER B 19 3.850 13.347 2.976 1.00 0.98 H new ATOM 0 HA SER B 19 1.107 13.645 3.672 1.00 0.99 H new ATOM 0 HB2 SER B 19 2.385 13.826 0.916 1.00 1.10 H new ATOM 0 HB3 SER B 19 0.920 14.619 1.460 1.00 1.10 H new ATOM 0 HG SER B 19 3.622 15.164 2.197 1.00 1.21 H new ATOM 2094 N LEU B 20 1.961 11.050 1.886 1.00 0.87 N ATOM 2095 CA LEU B 20 1.494 9.791 1.318 1.00 0.84 C ATOM 2096 C LEU B 20 0.704 8.970 2.338 1.00 0.80 C ATOM 2097 O LEU B 20 -0.417 8.545 2.059 1.00 0.79 O ATOM 2098 CB LEU B 20 2.678 8.986 0.785 1.00 0.86 C ATOM 2099 CG LEU B 20 2.322 7.679 0.075 1.00 0.91 C ATOM 2100 CD1 LEU B 20 1.337 7.933 -1.059 1.00 1.07 C ATOM 2101 CD2 LEU B 20 3.579 7.018 -0.450 1.00 1.35 C ATOM 0 H LEU B 20 2.976 11.150 1.904 1.00 0.87 H new ATOM 0 HA LEU B 20 0.820 10.024 0.494 1.00 0.84 H new ATOM 0 HB2 LEU B 20 3.239 9.614 0.093 1.00 0.86 H new ATOM 0 HB3 LEU B 20 3.343 8.757 1.618 1.00 0.86 H new ATOM 0 HG LEU B 20 1.846 7.010 0.792 1.00 0.91 H new ATOM 0 HD11 LEU B 20 1.097 6.990 -1.551 1.00 1.07 H new ATOM 0 HD12 LEU B 20 0.425 8.375 -0.657 1.00 1.07 H new ATOM 0 HD13 LEU B 20 1.783 8.616 -1.782 1.00 1.07 H new ATOM 0 HD21 LEU B 20 3.317 6.088 -0.954 1.00 1.35 H new ATOM 0 HD22 LEU B 20 4.074 7.686 -1.155 1.00 1.35 H new ATOM 0 HD23 LEU B 20 4.251 6.804 0.381 1.00 1.35 H new ATOM 2113 N ILE B 21 1.272 8.764 3.522 1.00 0.81 N ATOM 2114 CA ILE B 21 0.589 7.989 4.558 1.00 0.82 C ATOM 2115 C ILE B 21 -0.641 8.736 5.052 1.00 0.81 C ATOM 2116 O ILE B 21 -1.627 8.128 5.471 1.00 0.81 O ATOM 2117 CB ILE B 21 1.510 7.647 5.749 1.00 0.88 C ATOM 2118 CG1 ILE B 21 2.305 8.873 6.194 1.00 1.19 C ATOM 2119 CG2 ILE B 21 2.448 6.505 5.381 1.00 1.21 C ATOM 2120 CD1 ILE B 21 3.096 8.653 7.463 1.00 1.38 C ATOM 0 H ILE B 21 2.191 9.117 3.788 1.00 0.81 H new ATOM 0 HA ILE B 21 0.288 7.046 4.100 1.00 0.82 H new ATOM 0 HB ILE B 21 0.885 7.330 6.584 1.00 0.88 H new ATOM 0 HG12 ILE B 21 2.988 9.162 5.395 1.00 1.19 H new ATOM 0 HG13 ILE B 21 1.618 9.706 6.344 1.00 1.19 H new ATOM 0 HG21 ILE B 21 3.091 6.275 6.230 1.00 1.21 H new ATOM 0 HG22 ILE B 21 1.863 5.623 5.119 1.00 1.21 H new ATOM 0 HG23 ILE B 21 3.062 6.799 4.530 1.00 1.21 H new ATOM 0 HD11 ILE B 21 3.635 9.565 7.718 1.00 1.38 H new ATOM 0 HD12 ILE B 21 2.417 8.394 8.275 1.00 1.38 H new ATOM 0 HD13 ILE B 21 3.808 7.841 7.312 1.00 1.38 H new ATOM 2132 N GLU B 22 -0.581 10.061 4.979 1.00 0.83 N ATOM 2133 CA GLU B 22 -1.694 10.900 5.384 1.00 0.86 C ATOM 2134 C GLU B 22 -2.867 10.690 4.433 1.00 0.83 C ATOM 2135 O GLU B 22 -4.032 10.739 4.838 1.00 0.84 O ATOM 2136 CB GLU B 22 -1.274 12.368 5.391 1.00 0.94 C ATOM 2137 CG GLU B 22 -0.768 12.851 6.740 1.00 1.11 C ATOM 2138 CD GLU B 22 -1.870 12.913 7.776 1.00 1.55 C ATOM 2139 OE1 GLU B 22 -2.967 13.416 7.452 1.00 1.98 O ATOM 2140 OE2 GLU B 22 -1.647 12.467 8.920 1.00 1.95 O ATOM 0 H GLU B 22 0.232 10.576 4.641 1.00 0.83 H new ATOM 0 HA GLU B 22 -2.000 10.624 6.393 1.00 0.86 H new ATOM 0 HB2 GLU B 22 -0.493 12.517 4.645 1.00 0.94 H new ATOM 0 HB3 GLU B 22 -2.123 12.981 5.090 1.00 0.94 H new ATOM 0 HG2 GLU B 22 0.020 12.185 7.090 1.00 1.11 H new ATOM 0 HG3 GLU B 22 -0.323 13.839 6.626 1.00 1.11 H new ATOM 2147 N ALA B 23 -2.548 10.457 3.165 1.00 0.82 N ATOM 2148 CA ALA B 23 -3.567 10.212 2.154 1.00 0.83 C ATOM 2149 C ALA B 23 -4.207 8.848 2.383 1.00 0.79 C ATOM 2150 O ALA B 23 -5.409 8.676 2.181 1.00 0.80 O ATOM 2151 CB ALA B 23 -2.973 10.309 0.758 1.00 0.86 C ATOM 0 H ALA B 23 -1.591 10.433 2.813 1.00 0.82 H new ATOM 0 HA ALA B 23 -4.340 10.976 2.239 1.00 0.83 H new ATOM 0 HB1 ALA B 23 -3.751 10.123 0.018 1.00 0.86 H new ATOM 0 HB2 ALA B 23 -2.560 11.306 0.607 1.00 0.86 H new ATOM 0 HB3 ALA B 23 -2.182 9.568 0.647 1.00 0.86 H new ATOM 2157 N ILE B 24 -3.392 7.882 2.805 1.00 0.78 N ATOM 2158 CA ILE B 24 -3.873 6.531 3.094 1.00 0.78 C ATOM 2159 C ILE B 24 -4.950 6.590 4.174 1.00 0.74 C ATOM 2160 O ILE B 24 -6.029 6.008 4.044 1.00 0.74 O ATOM 2161 CB ILE B 24 -2.726 5.608 3.580 1.00 0.83 C ATOM 2162 CG1 ILE B 24 -1.614 5.514 2.530 1.00 0.99 C ATOM 2163 CG2 ILE B 24 -3.253 4.218 3.924 1.00 1.03 C ATOM 2164 CD1 ILE B 24 -1.973 4.671 1.324 1.00 0.89 C ATOM 0 H ILE B 24 -2.391 8.011 2.955 1.00 0.78 H new ATOM 0 HA ILE B 24 -4.280 6.120 2.170 1.00 0.78 H new ATOM 0 HB ILE B 24 -2.306 6.049 4.484 1.00 0.83 H new ATOM 0 HG12 ILE B 24 -1.360 6.519 2.195 1.00 0.99 H new ATOM 0 HG13 ILE B 24 -0.721 5.099 2.998 1.00 0.99 H new ATOM 0 HG21 ILE B 24 -2.429 3.590 4.262 1.00 1.03 H new ATOM 0 HG22 ILE B 24 -3.998 4.297 4.716 1.00 1.03 H new ATOM 0 HG23 ILE B 24 -3.709 3.773 3.040 1.00 1.03 H new ATOM 0 HD11 ILE B 24 -1.134 4.655 0.629 1.00 0.89 H new ATOM 0 HD12 ILE B 24 -2.198 3.654 1.645 1.00 0.89 H new ATOM 0 HD13 ILE B 24 -2.846 5.097 0.829 1.00 0.89 H new ATOM 2176 N LYS B 25 -4.635 7.324 5.229 1.00 0.74 N ATOM 2177 CA LYS B 25 -5.535 7.498 6.357 1.00 0.75 C ATOM 2178 C LYS B 25 -6.793 8.253 5.937 1.00 0.78 C ATOM 2179 O LYS B 25 -7.861 8.082 6.521 1.00 0.80 O ATOM 2180 CB LYS B 25 -4.821 8.253 7.474 1.00 0.79 C ATOM 2181 CG LYS B 25 -5.310 7.905 8.871 1.00 0.88 C ATOM 2182 CD LYS B 25 -4.321 8.372 9.928 1.00 1.17 C ATOM 2183 CE LYS B 25 -5.015 9.123 11.048 1.00 1.48 C ATOM 2184 NZ LYS B 25 -5.739 10.322 10.551 1.00 1.72 N ATOM 0 H LYS B 25 -3.747 7.816 5.327 1.00 0.74 H new ATOM 0 HA LYS B 25 -5.833 6.514 6.718 1.00 0.75 H new ATOM 0 HB2 LYS B 25 -3.753 8.046 7.413 1.00 0.79 H new ATOM 0 HB3 LYS B 25 -4.948 9.324 7.313 1.00 0.79 H new ATOM 0 HG2 LYS B 25 -6.281 8.369 9.046 1.00 0.88 H new ATOM 0 HG3 LYS B 25 -5.452 6.827 8.952 1.00 0.88 H new ATOM 0 HD2 LYS B 25 -3.793 7.511 10.339 1.00 1.17 H new ATOM 0 HD3 LYS B 25 -3.572 9.016 9.467 1.00 1.17 H new ATOM 0 HE2 LYS B 25 -5.718 8.457 11.549 1.00 1.48 H new ATOM 0 HE3 LYS B 25 -4.278 9.427 11.791 1.00 1.48 H new ATOM 0 HZ1 LYS B 25 -5.742 11.056 11.288 1.00 1.72 H new ATOM 0 HZ2 LYS B 25 -5.264 10.687 9.701 1.00 1.72 H new ATOM 0 HZ3 LYS B 25 -6.718 10.063 10.316 1.00 1.72 H new ATOM 2198 N LYS B 26 -6.654 9.124 4.948 1.00 0.80 N ATOM 2199 CA LYS B 26 -7.783 9.890 4.456 1.00 0.85 C ATOM 2200 C LYS B 26 -8.719 9.009 3.630 1.00 0.83 C ATOM 2201 O LYS B 26 -9.940 9.070 3.786 1.00 0.86 O ATOM 2202 CB LYS B 26 -7.303 11.073 3.613 1.00 0.91 C ATOM 2203 CG LYS B 26 -7.692 12.427 4.187 1.00 1.01 C ATOM 2204 CD LYS B 26 -9.198 12.574 4.295 1.00 1.13 C ATOM 2205 CE LYS B 26 -9.587 13.914 4.901 1.00 1.38 C ATOM 2206 NZ LYS B 26 -11.040 13.989 5.197 1.00 1.39 N ATOM 0 H LYS B 26 -5.772 9.316 4.473 1.00 0.80 H new ATOM 0 HA LYS B 26 -8.332 10.270 5.318 1.00 0.85 H new ATOM 0 HB2 LYS B 26 -6.218 11.025 3.520 1.00 0.91 H new ATOM 0 HB3 LYS B 26 -7.714 10.982 2.607 1.00 0.91 H new ATOM 0 HG2 LYS B 26 -7.242 12.548 5.172 1.00 1.01 H new ATOM 0 HG3 LYS B 26 -7.293 13.220 3.554 1.00 1.01 H new ATOM 0 HD2 LYS B 26 -9.646 12.478 3.306 1.00 1.13 H new ATOM 0 HD3 LYS B 26 -9.600 11.767 4.907 1.00 1.13 H new ATOM 0 HE2 LYS B 26 -9.021 14.075 5.819 1.00 1.38 H new ATOM 0 HE3 LYS B 26 -9.315 14.715 4.214 1.00 1.38 H new ATOM 0 HZ1 LYS B 26 -11.491 14.667 4.551 1.00 1.39 H new ATOM 0 HZ2 LYS B 26 -11.469 13.050 5.069 1.00 1.39 H new ATOM 0 HZ3 LYS B 26 -11.179 14.302 6.179 1.00 1.39 H new ATOM 2220 N ILE B 27 -8.137 8.179 2.773 1.00 0.80 N ATOM 2221 CA ILE B 27 -8.910 7.284 1.913 1.00 0.81 C ATOM 2222 C ILE B 27 -9.830 6.369 2.724 1.00 0.80 C ATOM 2223 O ILE B 27 -11.025 6.263 2.434 1.00 0.82 O ATOM 2224 CB ILE B 27 -7.988 6.425 1.015 1.00 0.81 C ATOM 2225 CG1 ILE B 27 -7.301 7.295 -0.043 1.00 0.79 C ATOM 2226 CG2 ILE B 27 -8.771 5.301 0.345 1.00 0.90 C ATOM 2227 CD1 ILE B 27 -8.260 7.981 -0.997 1.00 1.04 C ATOM 0 H ILE B 27 -7.127 8.105 2.653 1.00 0.80 H new ATOM 0 HA ILE B 27 -9.527 7.922 1.279 1.00 0.81 H new ATOM 0 HB ILE B 27 -7.223 5.979 1.651 1.00 0.81 H new ATOM 0 HG12 ILE B 27 -6.700 8.053 0.459 1.00 0.79 H new ATOM 0 HG13 ILE B 27 -6.614 6.674 -0.619 1.00 0.79 H new ATOM 0 HG21 ILE B 27 -8.100 4.712 -0.280 1.00 0.90 H new ATOM 0 HG22 ILE B 27 -9.212 4.660 1.108 1.00 0.90 H new ATOM 0 HG23 ILE B 27 -9.562 5.727 -0.272 1.00 0.90 H new ATOM 0 HD11 ILE B 27 -7.696 8.577 -1.714 1.00 1.04 H new ATOM 0 HD12 ILE B 27 -8.844 7.230 -1.529 1.00 1.04 H new ATOM 0 HD13 ILE B 27 -8.931 8.630 -0.434 1.00 1.04 H new ATOM 2239 N ILE B 28 -9.274 5.718 3.740 1.00 0.78 N ATOM 2240 CA ILE B 28 -10.054 4.814 4.582 1.00 0.78 C ATOM 2241 C ILE B 28 -11.169 5.568 5.313 1.00 0.81 C ATOM 2242 O ILE B 28 -12.254 5.026 5.541 1.00 0.84 O ATOM 2243 CB ILE B 28 -9.165 4.053 5.601 1.00 0.77 C ATOM 2244 CG1 ILE B 28 -9.964 2.941 6.287 1.00 0.80 C ATOM 2245 CG2 ILE B 28 -8.583 4.994 6.646 1.00 0.82 C ATOM 2246 CD1 ILE B 28 -10.461 1.870 5.339 1.00 0.97 C ATOM 0 H ILE B 28 -8.291 5.798 4.001 1.00 0.78 H new ATOM 0 HA ILE B 28 -10.505 4.076 3.919 1.00 0.78 H new ATOM 0 HB ILE B 28 -8.338 3.609 5.046 1.00 0.77 H new ATOM 0 HG12 ILE B 28 -9.340 2.476 7.050 1.00 0.80 H new ATOM 0 HG13 ILE B 28 -10.818 3.384 6.800 1.00 0.80 H new ATOM 0 HG21 ILE B 28 -7.966 4.427 7.343 1.00 0.82 H new ATOM 0 HG22 ILE B 28 -7.972 5.751 6.154 1.00 0.82 H new ATOM 0 HG23 ILE B 28 -9.393 5.479 7.190 1.00 0.82 H new ATOM 0 HD11 ILE B 28 -11.017 1.118 5.899 1.00 0.97 H new ATOM 0 HD12 ILE B 28 -11.112 2.321 4.590 1.00 0.97 H new ATOM 0 HD13 ILE B 28 -9.611 1.399 4.845 1.00 0.97 H new ATOM 2258 N ALA B 29 -10.895 6.819 5.675 1.00 0.82 N ATOM 2259 CA ALA B 29 -11.864 7.642 6.376 1.00 0.87 C ATOM 2260 C ALA B 29 -13.058 7.940 5.480 1.00 0.90 C ATOM 2261 O ALA B 29 -14.203 7.671 5.847 1.00 0.93 O ATOM 2262 CB ALA B 29 -11.223 8.941 6.844 1.00 0.90 C ATOM 0 H ALA B 29 -10.005 7.282 5.491 1.00 0.82 H new ATOM 0 HA ALA B 29 -12.212 7.091 7.250 1.00 0.87 H new ATOM 0 HB1 ALA B 29 -11.964 9.545 7.367 1.00 0.90 H new ATOM 0 HB2 ALA B 29 -10.396 8.717 7.518 1.00 0.90 H new ATOM 0 HB3 ALA B 29 -10.848 9.493 5.982 1.00 0.90 H new ATOM 2268 N GLU B 30 -12.773 8.470 4.292 1.00 0.91 N ATOM 2269 CA GLU B 30 -13.814 8.814 3.333 1.00 0.95 C ATOM 2270 C GLU B 30 -14.622 7.584 2.936 1.00 0.95 C ATOM 2271 O GLU B 30 -15.838 7.664 2.776 1.00 0.96 O ATOM 2272 CB GLU B 30 -13.204 9.458 2.082 1.00 1.00 C ATOM 2273 CG GLU B 30 -12.289 10.639 2.374 1.00 1.02 C ATOM 2274 CD GLU B 30 -12.914 11.675 3.290 1.00 1.13 C ATOM 2275 OE1 GLU B 30 -13.897 12.327 2.888 1.00 1.38 O ATOM 2276 OE2 GLU B 30 -12.411 11.851 4.422 1.00 1.18 O ATOM 0 H GLU B 30 -11.825 8.670 3.972 1.00 0.91 H new ATOM 0 HA GLU B 30 -14.482 9.529 3.813 1.00 0.95 H new ATOM 0 HB2 GLU B 30 -12.640 8.702 1.535 1.00 1.00 H new ATOM 0 HB3 GLU B 30 -14.010 9.790 1.428 1.00 1.00 H new ATOM 0 HG2 GLU B 30 -11.368 10.272 2.828 1.00 1.02 H new ATOM 0 HG3 GLU B 30 -12.013 11.116 1.434 1.00 1.02 H new ATOM 2283 N PHE B 31 -13.944 6.448 2.802 1.00 0.96 N ATOM 2284 CA PHE B 31 -14.595 5.200 2.415 1.00 0.99 C ATOM 2285 C PHE B 31 -15.726 4.840 3.382 1.00 0.97 C ATOM 2286 O PHE B 31 -16.830 4.487 2.963 1.00 1.01 O ATOM 2287 CB PHE B 31 -13.563 4.069 2.361 1.00 1.01 C ATOM 2288 CG PHE B 31 -13.932 2.946 1.430 1.00 1.04 C ATOM 2289 CD1 PHE B 31 -13.723 3.060 0.065 1.00 1.50 C ATOM 2290 CD2 PHE B 31 -14.484 1.774 1.920 1.00 1.68 C ATOM 2291 CE1 PHE B 31 -14.056 2.027 -0.793 1.00 1.59 C ATOM 2292 CE2 PHE B 31 -14.817 0.737 1.068 1.00 1.83 C ATOM 2293 CZ PHE B 31 -14.606 0.867 -0.292 1.00 1.37 C ATOM 0 H PHE B 31 -12.939 6.366 2.957 1.00 0.96 H new ATOM 0 HA PHE B 31 -15.032 5.336 1.426 1.00 0.99 H new ATOM 0 HB2 PHE B 31 -12.603 4.482 2.052 1.00 1.01 H new ATOM 0 HB3 PHE B 31 -13.429 3.666 3.365 1.00 1.01 H new ATOM 0 HD1 PHE B 31 -13.294 3.967 -0.334 1.00 1.50 H new ATOM 0 HD2 PHE B 31 -14.657 1.669 2.981 1.00 1.68 H new ATOM 0 HE1 PHE B 31 -13.885 2.130 -1.854 1.00 1.59 H new ATOM 0 HE2 PHE B 31 -15.241 -0.173 1.465 1.00 1.83 H new ATOM 0 HZ PHE B 31 -14.872 0.061 -0.960 1.00 1.37 H new ATOM 2303 N ASP B 32 -15.452 4.949 4.675 1.00 0.94 N ATOM 2304 CA ASP B 32 -16.444 4.629 5.701 1.00 0.93 C ATOM 2305 C ASP B 32 -17.528 5.702 5.760 1.00 0.93 C ATOM 2306 O ASP B 32 -18.708 5.403 5.969 1.00 0.96 O ATOM 2307 CB ASP B 32 -15.762 4.482 7.067 1.00 0.94 C ATOM 2308 CG ASP B 32 -16.737 4.168 8.186 1.00 1.20 C ATOM 2309 OD1 ASP B 32 -17.246 3.030 8.239 1.00 1.64 O ATOM 2310 OD2 ASP B 32 -16.995 5.060 9.023 1.00 1.54 O ATOM 0 H ASP B 32 -14.551 5.257 5.042 1.00 0.94 H new ATOM 0 HA ASP B 32 -16.917 3.682 5.440 1.00 0.93 H new ATOM 0 HB2 ASP B 32 -15.015 3.690 7.011 1.00 0.94 H new ATOM 0 HB3 ASP B 32 -15.231 5.404 7.303 1.00 0.94 H new ATOM 2315 N VAL B 33 -17.128 6.952 5.556 1.00 0.92 N ATOM 2316 CA VAL B 33 -18.064 8.072 5.581 1.00 0.93 C ATOM 2317 C VAL B 33 -19.080 7.950 4.446 1.00 0.94 C ATOM 2318 O VAL B 33 -20.282 8.091 4.666 1.00 0.95 O ATOM 2319 CB VAL B 33 -17.335 9.433 5.478 1.00 0.94 C ATOM 2320 CG1 VAL B 33 -18.327 10.577 5.311 1.00 1.00 C ATOM 2321 CG2 VAL B 33 -16.466 9.671 6.702 1.00 0.92 C ATOM 0 H VAL B 33 -16.160 7.216 5.371 1.00 0.92 H new ATOM 0 HA VAL B 33 -18.583 8.034 6.539 1.00 0.93 H new ATOM 0 HB VAL B 33 -16.697 9.401 4.595 1.00 0.94 H new ATOM 0 HG11 VAL B 33 -17.786 11.521 5.241 1.00 1.00 H new ATOM 0 HG12 VAL B 33 -18.909 10.424 4.402 1.00 1.00 H new ATOM 0 HG13 VAL B 33 -18.997 10.606 6.170 1.00 1.00 H new ATOM 0 HG21 VAL B 33 -15.962 10.633 6.609 1.00 0.92 H new ATOM 0 HG22 VAL B 33 -17.089 9.672 7.596 1.00 0.92 H new ATOM 0 HG23 VAL B 33 -15.722 8.878 6.780 1.00 0.92 H new ATOM 2331 N VAL B 34 -18.589 7.661 3.243 1.00 0.96 N ATOM 2332 CA VAL B 34 -19.453 7.526 2.072 1.00 0.99 C ATOM 2333 C VAL B 34 -20.462 6.396 2.258 1.00 1.00 C ATOM 2334 O VAL B 34 -21.617 6.520 1.847 1.00 1.02 O ATOM 2335 CB VAL B 34 -18.630 7.291 0.779 1.00 1.02 C ATOM 2336 CG1 VAL B 34 -19.536 6.968 -0.401 1.00 1.21 C ATOM 2337 CG2 VAL B 34 -17.782 8.512 0.465 1.00 1.13 C ATOM 0 H VAL B 34 -17.597 7.516 3.053 1.00 0.96 H new ATOM 0 HA VAL B 34 -19.995 8.466 1.967 1.00 0.99 H new ATOM 0 HB VAL B 34 -17.976 6.436 0.949 1.00 1.02 H new ATOM 0 HG11 VAL B 34 -18.929 6.809 -1.292 1.00 1.21 H new ATOM 0 HG12 VAL B 34 -20.107 6.065 -0.185 1.00 1.21 H new ATOM 0 HG13 VAL B 34 -20.221 7.799 -0.572 1.00 1.21 H new ATOM 0 HG21 VAL B 34 -17.210 8.333 -0.445 1.00 1.13 H new ATOM 0 HG22 VAL B 34 -18.429 9.377 0.322 1.00 1.13 H new ATOM 0 HG23 VAL B 34 -17.098 8.703 1.292 1.00 1.13 H new ATOM 2347 N LYS B 35 -20.037 5.315 2.914 1.00 1.01 N ATOM 2348 CA LYS B 35 -20.908 4.167 3.143 1.00 1.05 C ATOM 2349 C LYS B 35 -22.142 4.568 3.953 1.00 1.03 C ATOM 2350 O LYS B 35 -23.270 4.245 3.579 1.00 1.05 O ATOM 2351 CB LYS B 35 -20.153 3.045 3.864 1.00 1.08 C ATOM 2352 CG LYS B 35 -20.900 1.716 3.868 1.00 1.13 C ATOM 2353 CD LYS B 35 -20.279 0.724 4.838 1.00 1.32 C ATOM 2354 CE LYS B 35 -20.979 -0.627 4.779 1.00 1.51 C ATOM 2355 NZ LYS B 35 -20.808 -1.282 3.455 1.00 1.86 N ATOM 0 H LYS B 35 -19.096 5.213 3.295 1.00 1.01 H new ATOM 0 HA LYS B 35 -21.235 3.801 2.170 1.00 1.05 H new ATOM 0 HB2 LYS B 35 -19.183 2.906 3.388 1.00 1.08 H new ATOM 0 HB3 LYS B 35 -19.962 3.349 4.893 1.00 1.08 H new ATOM 0 HG2 LYS B 35 -21.942 1.885 4.138 1.00 1.13 H new ATOM 0 HG3 LYS B 35 -20.896 1.293 2.863 1.00 1.13 H new ATOM 0 HD2 LYS B 35 -19.222 0.598 4.604 1.00 1.32 H new ATOM 0 HD3 LYS B 35 -20.336 1.120 5.852 1.00 1.32 H new ATOM 0 HE2 LYS B 35 -20.582 -1.276 5.559 1.00 1.51 H new ATOM 0 HE3 LYS B 35 -22.041 -0.495 4.984 1.00 1.51 H new ATOM 0 HZ1 LYS B 35 -21.070 -2.286 3.528 1.00 1.86 H new ATOM 0 HZ2 LYS B 35 -21.419 -0.815 2.755 1.00 1.86 H new ATOM 0 HZ3 LYS B 35 -19.815 -1.204 3.155 1.00 1.86 H new ATOM 2369 N GLU B 36 -21.929 5.281 5.051 1.00 1.00 N ATOM 2370 CA GLU B 36 -23.040 5.714 5.891 1.00 1.00 C ATOM 2371 C GLU B 36 -23.821 6.845 5.224 1.00 0.96 C ATOM 2372 O GLU B 36 -25.045 6.931 5.355 1.00 0.97 O ATOM 2373 CB GLU B 36 -22.538 6.158 7.268 1.00 1.01 C ATOM 2374 CG GLU B 36 -23.656 6.386 8.275 1.00 1.15 C ATOM 2375 CD GLU B 36 -24.510 5.151 8.505 1.00 1.29 C ATOM 2376 OE1 GLU B 36 -23.942 4.058 8.715 1.00 1.57 O ATOM 2377 OE2 GLU B 36 -25.754 5.269 8.484 1.00 1.40 O ATOM 0 H GLU B 36 -21.008 5.570 5.379 1.00 1.00 H new ATOM 0 HA GLU B 36 -23.710 4.864 6.022 1.00 1.00 H new ATOM 0 HB2 GLU B 36 -21.856 5.403 7.659 1.00 1.01 H new ATOM 0 HB3 GLU B 36 -21.965 7.079 7.158 1.00 1.01 H new ATOM 0 HG2 GLU B 36 -23.223 6.703 9.224 1.00 1.15 H new ATOM 0 HG3 GLU B 36 -24.291 7.200 7.926 1.00 1.15 H new ATOM 2384 N SER B 37 -23.122 7.698 4.487 1.00 0.00 N ATOM 2385 CA SER B 37 -23.742 8.830 3.803 1.00 0.00 C ATOM 2386 C SER B 37 -24.819 8.363 2.852 1.00 0.00 C ATOM 2387 O SER B 37 -25.930 8.900 2.848 1.00 0.00 O ATOM 2388 CB SER B 37 -22.675 9.688 3.079 1.00 0.00 C ATOM 2389 OG SER B 37 -21.782 10.346 3.984 1.00 0.00 O ATOM 0 H SER B 37 -22.114 7.627 4.346 1.00 0.00 H new ATOM 0 HA SER B 37 -24.219 9.462 4.552 1.00 0.00 H new ATOM 0 HB2 SER B 37 -22.099 9.052 2.407 1.00 0.00 H new ATOM 0 HB3 SER B 37 -23.174 10.435 2.462 1.00 0.00 H new ATOM 0 HG SER B 37 -21.148 9.694 4.350 1.00 0.00 H new ATOM 2395 N VAL B 38 -24.487 7.399 2.000 1.00 0.96 N ATOM 2396 CA VAL B 38 -25.436 6.891 1.013 1.00 1.00 C ATOM 2397 C VAL B 38 -26.585 6.146 1.682 1.00 1.02 C ATOM 2398 O VAL B 38 -27.689 6.086 1.146 1.00 1.04 O ATOM 2399 CB VAL B 38 -24.767 5.976 -0.041 1.00 1.05 C ATOM 2400 CG1 VAL B 38 -23.707 6.745 -0.814 1.00 1.05 C ATOM 2401 CG2 VAL B 38 -24.176 4.720 0.593 1.00 1.07 C ATOM 0 H VAL B 38 -23.570 6.954 1.972 1.00 0.96 H new ATOM 0 HA VAL B 38 -25.828 7.766 0.495 1.00 1.00 H new ATOM 0 HB VAL B 38 -25.540 5.652 -0.738 1.00 1.05 H new ATOM 0 HG11 VAL B 38 -23.246 6.088 -1.551 1.00 1.05 H new ATOM 0 HG12 VAL B 38 -24.169 7.592 -1.321 1.00 1.05 H new ATOM 0 HG13 VAL B 38 -22.945 7.108 -0.124 1.00 1.05 H new ATOM 0 HG21 VAL B 38 -23.716 4.104 -0.180 1.00 1.07 H new ATOM 0 HG22 VAL B 38 -23.422 5.003 1.328 1.00 1.07 H new ATOM 0 HG23 VAL B 38 -24.967 4.154 1.085 1.00 1.07 H new ATOM 2411 N ASN B 39 -26.323 5.583 2.857 1.00 1.03 N ATOM 2412 CA ASN B 39 -27.341 4.838 3.596 1.00 1.07 C ATOM 2413 C ASN B 39 -28.466 5.770 4.050 1.00 1.05 C ATOM 2414 O ASN B 39 -29.647 5.514 3.794 1.00 1.08 O ATOM 2415 CB ASN B 39 -26.719 4.135 4.805 1.00 1.11 C ATOM 2416 CG ASN B 39 -27.617 3.059 5.389 1.00 1.20 C ATOM 2417 OD1 ASN B 39 -28.258 2.297 4.661 1.00 1.25 O ATOM 2418 ND2 ASN B 39 -27.669 2.991 6.710 1.00 1.25 N ATOM 0 H ASN B 39 -25.415 5.627 3.320 1.00 1.03 H new ATOM 0 HA ASN B 39 -27.761 4.083 2.931 1.00 1.07 H new ATOM 0 HB2 ASN B 39 -25.769 3.688 4.510 1.00 1.11 H new ATOM 0 HB3 ASN B 39 -26.498 4.874 5.575 1.00 1.11 H new ATOM 0 HD21 ASN B 39 -28.255 2.289 7.162 1.00 1.25 H new ATOM 0 HD22 ASN B 39 -27.123 3.640 7.276 1.00 1.25 H new ATOM 2425 N GLU B 40 -28.089 6.856 4.716 1.00 1.02 N ATOM 2426 CA GLU B 40 -29.053 7.844 5.195 1.00 1.02 C ATOM 2427 C GLU B 40 -29.715 8.556 4.016 1.00 0.98 C ATOM 2428 O GLU B 40 -30.921 8.821 4.021 1.00 1.01 O ATOM 2429 CB GLU B 40 -28.354 8.877 6.085 1.00 1.04 C ATOM 2430 CG GLU B 40 -28.459 8.585 7.573 1.00 1.24 C ATOM 2431 CD GLU B 40 -29.832 8.899 8.137 1.00 1.46 C ATOM 2432 OE1 GLU B 40 -30.582 9.671 7.504 1.00 1.92 O ATOM 2433 OE2 GLU B 40 -30.157 8.390 9.231 1.00 2.04 O ATOM 0 H GLU B 40 -27.118 7.076 4.938 1.00 1.02 H new ATOM 0 HA GLU B 40 -29.816 7.325 5.775 1.00 1.02 H new ATOM 0 HB2 GLU B 40 -27.301 8.926 5.808 1.00 1.04 H new ATOM 0 HB3 GLU B 40 -28.781 9.860 5.887 1.00 1.04 H new ATOM 0 HG2 GLU B 40 -28.230 7.534 7.750 1.00 1.24 H new ATOM 0 HG3 GLU B 40 -27.709 9.169 8.107 1.00 1.24 H new ATOM 2440 N LEU B 41 -28.910 8.851 3.006 1.00 0.95 N ATOM 2441 CA LEU B 41 -29.380 9.535 1.810 1.00 0.94 C ATOM 2442 C LEU B 41 -30.494 8.765 1.118 1.00 0.95 C ATOM 2443 O LEU B 41 -31.508 9.345 0.744 1.00 0.97 O ATOM 2444 CB LEU B 41 -28.223 9.739 0.837 1.00 0.92 C ATOM 2445 CG LEU B 41 -27.674 11.163 0.757 1.00 0.97 C ATOM 2446 CD1 LEU B 41 -27.406 11.724 2.146 1.00 1.08 C ATOM 2447 CD2 LEU B 41 -26.404 11.180 -0.071 1.00 1.01 C ATOM 0 H LEU B 41 -27.916 8.624 2.992 1.00 0.95 H new ATOM 0 HA LEU B 41 -29.780 10.500 2.121 1.00 0.94 H new ATOM 0 HB2 LEU B 41 -27.410 9.070 1.121 1.00 0.92 H new ATOM 0 HB3 LEU B 41 -28.551 9.438 -0.158 1.00 0.92 H new ATOM 0 HG LEU B 41 -28.422 11.794 0.278 1.00 0.97 H new ATOM 0 HD11 LEU B 41 -27.016 12.738 2.060 1.00 1.08 H new ATOM 0 HD12 LEU B 41 -28.334 11.739 2.717 1.00 1.08 H new ATOM 0 HD13 LEU B 41 -26.676 11.097 2.657 1.00 1.08 H new ATOM 0 HD21 LEU B 41 -26.018 12.198 -0.124 1.00 1.01 H new ATOM 0 HD22 LEU B 41 -25.659 10.533 0.392 1.00 1.01 H new ATOM 0 HD23 LEU B 41 -26.621 10.821 -1.077 1.00 1.01 H new ATOM 2459 N SER B 42 -30.309 7.463 0.957 1.00 0.97 N ATOM 2460 CA SER B 42 -31.299 6.629 0.298 1.00 1.01 C ATOM 2461 C SER B 42 -32.645 6.676 1.025 1.00 1.02 C ATOM 2462 O SER B 42 -33.698 6.774 0.390 1.00 1.03 O ATOM 2463 CB SER B 42 -30.799 5.188 0.204 1.00 1.07 C ATOM 2464 OG SER B 42 -29.584 5.115 -0.528 1.00 1.56 O ATOM 0 H SER B 42 -29.480 6.962 1.275 1.00 0.97 H new ATOM 0 HA SER B 42 -31.449 7.021 -0.708 1.00 1.01 H new ATOM 0 HB2 SER B 42 -30.648 4.786 1.206 1.00 1.07 H new ATOM 0 HB3 SER B 42 -31.555 4.568 -0.278 1.00 1.07 H new ATOM 0 HG SER B 42 -28.874 5.571 -0.029 1.00 1.56 H new ATOM 2470 N GLU B 43 -32.608 6.625 2.351 1.00 1.04 N ATOM 2471 CA GLU B 43 -33.835 6.646 3.140 1.00 1.07 C ATOM 2472 C GLU B 43 -34.562 7.983 3.028 1.00 1.05 C ATOM 2473 O GLU B 43 -35.777 8.024 2.845 1.00 1.10 O ATOM 2474 CB GLU B 43 -33.552 6.355 4.613 1.00 1.12 C ATOM 2475 CG GLU B 43 -34.817 6.174 5.437 1.00 1.24 C ATOM 2476 CD GLU B 43 -34.597 6.439 6.907 1.00 1.41 C ATOM 2477 OE1 GLU B 43 -34.478 7.621 7.291 1.00 1.56 O ATOM 2478 OE2 GLU B 43 -34.568 5.466 7.688 1.00 1.92 O ATOM 0 H GLU B 43 -31.750 6.569 2.899 1.00 1.04 H new ATOM 0 HA GLU B 43 -34.476 5.864 2.732 1.00 1.07 H new ATOM 0 HB2 GLU B 43 -32.943 5.454 4.689 1.00 1.12 H new ATOM 0 HB3 GLU B 43 -32.965 7.172 5.033 1.00 1.12 H new ATOM 0 HG2 GLU B 43 -35.589 6.846 5.062 1.00 1.24 H new ATOM 0 HG3 GLU B 43 -35.188 5.158 5.307 1.00 1.24 H new ATOM 2485 N LYS B 44 -33.821 9.075 3.124 1.00 1.00 N ATOM 2486 CA LYS B 44 -34.416 10.405 3.061 1.00 1.00 C ATOM 2487 C LYS B 44 -34.928 10.733 1.656 1.00 0.98 C ATOM 2488 O LYS B 44 -35.897 11.477 1.495 1.00 1.03 O ATOM 2489 CB LYS B 44 -33.402 11.451 3.529 1.00 1.01 C ATOM 2490 CG LYS B 44 -32.979 11.285 4.985 1.00 1.06 C ATOM 2491 CD LYS B 44 -34.181 11.293 5.915 1.00 1.17 C ATOM 2492 CE LYS B 44 -33.768 11.238 7.376 1.00 1.32 C ATOM 2493 NZ LYS B 44 -33.202 9.913 7.758 1.00 1.35 N ATOM 0 H LYS B 44 -32.808 9.070 3.246 1.00 1.00 H new ATOM 0 HA LYS B 44 -35.279 10.422 3.727 1.00 1.00 H new ATOM 0 HB2 LYS B 44 -32.518 11.396 2.894 1.00 1.01 H new ATOM 0 HB3 LYS B 44 -33.830 12.445 3.395 1.00 1.01 H new ATOM 0 HG2 LYS B 44 -32.432 10.349 5.102 1.00 1.06 H new ATOM 0 HG3 LYS B 44 -32.297 12.089 5.262 1.00 1.06 H new ATOM 0 HD2 LYS B 44 -34.771 12.193 5.738 1.00 1.17 H new ATOM 0 HD3 LYS B 44 -34.822 10.442 5.687 1.00 1.17 H new ATOM 0 HE2 LYS B 44 -33.029 12.015 7.571 1.00 1.32 H new ATOM 0 HE3 LYS B 44 -34.633 11.455 8.003 1.00 1.32 H new ATOM 0 HZ1 LYS B 44 -33.030 9.891 8.783 1.00 1.35 H new ATOM 0 HZ2 LYS B 44 -33.875 9.162 7.504 1.00 1.35 H new ATOM 0 HZ3 LYS B 44 -32.305 9.760 7.254 1.00 1.35 H new ATOM 2507 N ALA B 45 -34.287 10.169 0.644 1.00 0.98 N ATOM 2508 CA ALA B 45 -34.688 10.397 -0.739 1.00 0.99 C ATOM 2509 C ALA B 45 -35.933 9.593 -1.082 1.00 1.01 C ATOM 2510 O ALA B 45 -36.629 9.893 -2.048 1.00 1.03 O ATOM 2511 CB ALA B 45 -33.555 10.036 -1.681 1.00 1.01 C ATOM 0 H ALA B 45 -33.485 9.548 0.753 1.00 0.98 H new ATOM 0 HA ALA B 45 -34.921 11.455 -0.856 1.00 0.99 H new ATOM 0 HB1 ALA B 45 -33.868 10.211 -2.710 1.00 1.01 H new ATOM 0 HB2 ALA B 45 -32.685 10.653 -1.456 1.00 1.01 H new ATOM 0 HB3 ALA B 45 -33.297 8.985 -1.554 1.00 1.01 H new ATOM 2517 N LYS B 46 -36.218 8.586 -0.264 1.00 1.04 N ATOM 2518 CA LYS B 46 -37.379 7.730 -0.473 1.00 1.10 C ATOM 2519 C LYS B 46 -38.672 8.512 -0.272 1.00 1.12 C ATOM 2520 O LYS B 46 -39.743 8.070 -0.674 1.00 1.18 O ATOM 2521 CB LYS B 46 -37.334 6.539 0.487 1.00 1.18 C ATOM 2522 CG LYS B 46 -37.481 5.191 -0.195 1.00 1.46 C ATOM 2523 CD LYS B 46 -36.463 5.017 -1.309 1.00 1.98 C ATOM 2524 CE LYS B 46 -36.345 3.566 -1.737 1.00 2.66 C ATOM 2525 NZ LYS B 46 -37.650 3.012 -2.187 1.00 3.40 N ATOM 0 H LYS B 46 -35.658 8.342 0.553 1.00 1.04 H new ATOM 0 HA LYS B 46 -37.354 7.364 -1.499 1.00 1.10 H new ATOM 0 HB2 LYS B 46 -36.389 6.559 1.030 1.00 1.18 H new ATOM 0 HB3 LYS B 46 -38.128 6.650 1.225 1.00 1.18 H new ATOM 0 HG2 LYS B 46 -37.358 4.395 0.539 1.00 1.46 H new ATOM 0 HG3 LYS B 46 -38.488 5.096 -0.602 1.00 1.46 H new ATOM 0 HD2 LYS B 46 -36.752 5.627 -2.165 1.00 1.98 H new ATOM 0 HD3 LYS B 46 -35.491 5.378 -0.974 1.00 1.98 H new ATOM 0 HE2 LYS B 46 -35.618 3.484 -2.545 1.00 2.66 H new ATOM 0 HE3 LYS B 46 -35.966 2.972 -0.905 1.00 2.66 H new ATOM 0 HZ1 LYS B 46 -37.497 2.090 -2.642 1.00 3.40 H new ATOM 0 HZ2 LYS B 46 -38.278 2.893 -1.367 1.00 3.40 H new ATOM 0 HZ3 LYS B 46 -38.089 3.665 -2.867 1.00 3.40 H new ATOM 2539 N THR B 47 -38.556 9.676 0.349 1.00 1.10 N ATOM 2540 CA THR B 47 -39.703 10.535 0.609 1.00 1.16 C ATOM 2541 C THR B 47 -40.122 11.304 -0.651 1.00 1.17 C ATOM 2542 O THR B 47 -41.089 12.073 -0.631 1.00 1.27 O ATOM 2543 CB THR B 47 -39.378 11.538 1.734 1.00 1.24 C ATOM 2544 OG1 THR B 47 -38.332 11.012 2.568 1.00 1.54 O ATOM 2545 CG2 THR B 47 -40.608 11.825 2.584 1.00 1.41 C ATOM 0 H THR B 47 -37.669 10.051 0.686 1.00 1.10 H new ATOM 0 HA THR B 47 -40.530 9.895 0.917 1.00 1.16 H new ATOM 0 HB THR B 47 -39.050 12.470 1.274 1.00 1.24 H new ATOM 0 HG1 THR B 47 -37.463 11.315 2.233 1.00 1.54 H new ATOM 0 HG21 THR B 47 -40.350 12.535 3.369 1.00 1.41 H new ATOM 0 HG22 THR B 47 -41.393 12.247 1.957 1.00 1.41 H new ATOM 0 HG23 THR B 47 -40.963 10.898 3.035 1.00 1.41 H new ATOM 2553 N ASP B 48 -39.396 11.097 -1.743 1.00 1.14 N ATOM 2554 CA ASP B 48 -39.693 11.768 -3.002 1.00 1.18 C ATOM 2555 C ASP B 48 -39.580 10.788 -4.165 1.00 1.14 C ATOM 2556 O ASP B 48 -38.553 10.141 -4.322 1.00 1.10 O ATOM 2557 CB ASP B 48 -38.733 12.937 -3.217 1.00 1.23 C ATOM 2558 CG ASP B 48 -38.994 13.660 -4.519 1.00 1.28 C ATOM 2559 OD1 ASP B 48 -39.914 14.500 -4.562 1.00 1.39 O ATOM 2560 OD2 ASP B 48 -38.265 13.418 -5.496 1.00 1.43 O ATOM 0 H ASP B 48 -38.594 10.467 -1.781 1.00 1.14 H new ATOM 0 HA ASP B 48 -40.713 12.149 -2.958 1.00 1.18 H new ATOM 0 HB2 ASP B 48 -38.827 13.639 -2.389 1.00 1.23 H new ATOM 0 HB3 ASP B 48 -37.707 12.569 -3.207 1.00 1.23 H new ATOM 2565 N PRO B 49 -40.622 10.676 -5.005 1.00 1.20 N ATOM 2566 CA PRO B 49 -40.630 9.741 -6.147 1.00 1.22 C ATOM 2567 C PRO B 49 -39.500 9.989 -7.151 1.00 1.24 C ATOM 2568 O PRO B 49 -38.973 9.046 -7.748 1.00 1.24 O ATOM 2569 CB PRO B 49 -41.989 9.990 -6.813 1.00 1.33 C ATOM 2570 CG PRO B 49 -42.434 11.321 -6.310 1.00 1.36 C ATOM 2571 CD PRO B 49 -41.875 11.442 -4.922 1.00 1.29 C ATOM 0 HA PRO B 49 -40.477 8.716 -5.809 1.00 1.22 H new ATOM 0 HB2 PRO B 49 -41.901 9.989 -7.899 1.00 1.33 H new ATOM 0 HB3 PRO B 49 -42.705 9.211 -6.551 1.00 1.33 H new ATOM 0 HG2 PRO B 49 -42.068 12.123 -6.950 1.00 1.36 H new ATOM 0 HG3 PRO B 49 -43.522 11.392 -6.301 1.00 1.36 H new ATOM 0 HD2 PRO B 49 -41.696 12.482 -4.648 1.00 1.29 H new ATOM 0 HD3 PRO B 49 -42.553 11.028 -4.176 1.00 1.29 H new ATOM 2579 N GLN B 50 -39.124 11.252 -7.334 1.00 1.28 N ATOM 2580 CA GLN B 50 -38.063 11.598 -8.274 1.00 1.33 C ATOM 2581 C GLN B 50 -36.705 11.224 -7.692 1.00 1.22 C ATOM 2582 O GLN B 50 -35.911 10.533 -8.336 1.00 1.22 O ATOM 2583 CB GLN B 50 -38.098 13.091 -8.618 1.00 1.45 C ATOM 2584 CG GLN B 50 -39.437 13.554 -9.169 1.00 1.58 C ATOM 2585 CD GLN B 50 -39.393 14.957 -9.753 1.00 1.65 C ATOM 2586 OE1 GLN B 50 -38.539 15.803 -9.206 1.00 1.81 O flip ATOM 2587 NE2 GLN B 50 -40.127 15.272 -10.687 1.00 1.66 N flip ATOM 0 H GLN B 50 -39.536 12.048 -6.847 1.00 1.28 H new ATOM 0 HA GLN B 50 -38.225 11.034 -9.193 1.00 1.33 H new ATOM 0 HB2 GLN B 50 -37.863 13.668 -7.723 1.00 1.45 H new ATOM 0 HB3 GLN B 50 -37.319 13.306 -9.349 1.00 1.45 H new ATOM 0 HG2 GLN B 50 -39.766 12.857 -9.940 1.00 1.58 H new ATOM 0 HG3 GLN B 50 -40.181 13.522 -8.373 1.00 1.58 H new ATOM 0 HE21 GLN B 50 -40.773 14.588 -11.081 1.00 1.66 H new ATOM 0 HE22 GLN B 50 -40.090 16.217 -11.068 1.00 1.66 H new ATOM 2596 N ALA B 51 -36.459 11.661 -6.461 1.00 1.15 N ATOM 2597 CA ALA B 51 -35.199 11.385 -5.778 1.00 1.08 C ATOM 2598 C ALA B 51 -35.036 9.898 -5.493 1.00 1.00 C ATOM 2599 O ALA B 51 -33.936 9.366 -5.590 1.00 0.98 O ATOM 2600 CB ALA B 51 -35.097 12.184 -4.486 1.00 1.09 C ATOM 0 H ALA B 51 -37.120 12.211 -5.913 1.00 1.15 H new ATOM 0 HA ALA B 51 -34.392 11.693 -6.443 1.00 1.08 H new ATOM 0 HB1 ALA B 51 -34.150 11.962 -3.995 1.00 1.09 H new ATOM 0 HB2 ALA B 51 -35.148 13.249 -4.712 1.00 1.09 H new ATOM 0 HB3 ALA B 51 -35.921 11.914 -3.825 1.00 1.09 H new ATOM 2606 N ALA B 52 -36.132 9.233 -5.145 1.00 0.99 N ATOM 2607 CA ALA B 52 -36.109 7.804 -4.852 1.00 0.98 C ATOM 2608 C ALA B 52 -35.640 6.999 -6.055 1.00 1.02 C ATOM 2609 O ALA B 52 -34.897 6.033 -5.912 1.00 1.03 O ATOM 2610 CB ALA B 52 -37.483 7.318 -4.409 1.00 1.03 C ATOM 0 H ALA B 52 -37.053 9.663 -5.058 1.00 0.99 H new ATOM 0 HA ALA B 52 -35.401 7.651 -4.038 1.00 0.98 H new ATOM 0 HB1 ALA B 52 -37.440 6.250 -4.196 1.00 1.03 H new ATOM 0 HB2 ALA B 52 -37.787 7.855 -3.510 1.00 1.03 H new ATOM 0 HB3 ALA B 52 -38.207 7.501 -5.203 1.00 1.03 H new ATOM 2616 N GLU B 53 -36.070 7.409 -7.241 1.00 1.09 N ATOM 2617 CA GLU B 53 -35.688 6.723 -8.465 1.00 1.18 C ATOM 2618 C GLU B 53 -34.231 7.021 -8.815 1.00 1.17 C ATOM 2619 O GLU B 53 -33.524 6.176 -9.370 1.00 1.23 O ATOM 2620 CB GLU B 53 -36.621 7.135 -9.605 1.00 1.28 C ATOM 2621 CG GLU B 53 -36.442 6.331 -10.886 1.00 1.45 C ATOM 2622 CD GLU B 53 -36.350 4.838 -10.641 1.00 1.51 C ATOM 2623 OE1 GLU B 53 -37.374 4.227 -10.267 1.00 1.66 O ATOM 2624 OE2 GLU B 53 -35.256 4.268 -10.834 1.00 1.58 O ATOM 0 H GLU B 53 -36.683 8.212 -7.380 1.00 1.09 H new ATOM 0 HA GLU B 53 -35.781 5.648 -8.313 1.00 1.18 H new ATOM 0 HB2 GLU B 53 -37.653 7.034 -9.268 1.00 1.28 H new ATOM 0 HB3 GLU B 53 -36.460 8.190 -9.827 1.00 1.28 H new ATOM 0 HG2 GLU B 53 -37.279 6.533 -11.555 1.00 1.45 H new ATOM 0 HG3 GLU B 53 -35.539 6.666 -11.395 1.00 1.45 H new ATOM 2631 N LYS B 54 -33.774 8.218 -8.473 1.00 1.13 N ATOM 2632 CA LYS B 54 -32.399 8.604 -8.748 1.00 1.14 C ATOM 2633 C LYS B 54 -31.444 7.821 -7.856 1.00 1.05 C ATOM 2634 O LYS B 54 -30.380 7.377 -8.296 1.00 1.09 O ATOM 2635 CB LYS B 54 -32.201 10.107 -8.545 1.00 1.16 C ATOM 2636 CG LYS B 54 -33.042 10.966 -9.478 1.00 1.32 C ATOM 2637 CD LYS B 54 -32.484 12.374 -9.601 1.00 1.48 C ATOM 2638 CE LYS B 54 -31.384 12.451 -10.654 1.00 1.68 C ATOM 2639 NZ LYS B 54 -31.924 12.330 -12.039 1.00 2.09 N ATOM 0 H LYS B 54 -34.332 8.934 -8.008 1.00 1.13 H new ATOM 0 HA LYS B 54 -32.182 8.370 -9.790 1.00 1.14 H new ATOM 0 HB2 LYS B 54 -32.445 10.361 -7.513 1.00 1.16 H new ATOM 0 HB3 LYS B 54 -31.149 10.349 -8.692 1.00 1.16 H new ATOM 0 HG2 LYS B 54 -33.080 10.502 -10.464 1.00 1.32 H new ATOM 0 HG3 LYS B 54 -34.066 11.011 -9.107 1.00 1.32 H new ATOM 0 HD2 LYS B 54 -33.287 13.063 -9.862 1.00 1.48 H new ATOM 0 HD3 LYS B 54 -32.089 12.695 -8.637 1.00 1.48 H new ATOM 0 HE2 LYS B 54 -30.853 13.397 -10.554 1.00 1.68 H new ATOM 0 HE3 LYS B 54 -30.658 11.657 -10.478 1.00 1.68 H new ATOM 0 HZ1 LYS B 54 -31.214 12.668 -12.719 1.00 2.09 H new ATOM 0 HZ2 LYS B 54 -32.148 11.334 -12.239 1.00 2.09 H new ATOM 0 HZ3 LYS B 54 -32.788 12.903 -12.126 1.00 2.09 H new ATOM 2653 N LEU B 55 -31.842 7.643 -6.606 1.00 0.98 N ATOM 2654 CA LEU B 55 -31.045 6.905 -5.639 1.00 0.95 C ATOM 2655 C LEU B 55 -31.129 5.413 -5.918 1.00 0.99 C ATOM 2656 O LEU B 55 -30.224 4.658 -5.577 1.00 0.99 O ATOM 2657 CB LEU B 55 -31.517 7.200 -4.211 1.00 0.94 C ATOM 2658 CG LEU B 55 -30.652 8.192 -3.427 1.00 1.02 C ATOM 2659 CD1 LEU B 55 -29.274 7.611 -3.155 1.00 1.13 C ATOM 2660 CD2 LEU B 55 -30.539 9.516 -4.171 1.00 1.09 C ATOM 0 H LEU B 55 -32.721 8.004 -6.235 1.00 0.98 H new ATOM 0 HA LEU B 55 -30.008 7.226 -5.734 1.00 0.95 H new ATOM 0 HB2 LEU B 55 -32.535 7.587 -4.255 1.00 0.94 H new ATOM 0 HB3 LEU B 55 -31.556 6.262 -3.658 1.00 0.94 H new ATOM 0 HG LEU B 55 -31.137 8.379 -2.469 1.00 1.02 H new ATOM 0 HD11 LEU B 55 -28.678 8.333 -2.597 1.00 1.13 H new ATOM 0 HD12 LEU B 55 -29.374 6.696 -2.572 1.00 1.13 H new ATOM 0 HD13 LEU B 55 -28.781 7.387 -4.101 1.00 1.13 H new ATOM 0 HD21 LEU B 55 -29.920 10.205 -3.596 1.00 1.09 H new ATOM 0 HD22 LEU B 55 -30.083 9.347 -5.147 1.00 1.09 H new ATOM 0 HD23 LEU B 55 -31.532 9.945 -4.304 1.00 1.09 H new ATOM 2672 N ASN B 56 -32.224 4.998 -6.545 1.00 1.06 N ATOM 2673 CA ASN B 56 -32.445 3.594 -6.880 1.00 1.16 C ATOM 2674 C ASN B 56 -31.336 3.067 -7.788 1.00 1.20 C ATOM 2675 O ASN B 56 -30.725 2.035 -7.512 1.00 1.26 O ATOM 2676 CB ASN B 56 -33.812 3.430 -7.555 1.00 1.26 C ATOM 2677 CG ASN B 56 -34.011 2.057 -8.165 1.00 1.44 C ATOM 2678 OD1 ASN B 56 -33.780 1.033 -7.521 1.00 1.49 O ATOM 2679 ND2 ASN B 56 -34.455 2.027 -9.408 1.00 1.58 N ATOM 0 H ASN B 56 -32.979 5.619 -6.834 1.00 1.06 H new ATOM 0 HA ASN B 56 -32.429 3.011 -5.959 1.00 1.16 H new ATOM 0 HB2 ASN B 56 -34.597 3.613 -6.822 1.00 1.26 H new ATOM 0 HB3 ASN B 56 -33.920 4.186 -8.333 1.00 1.26 H new ATOM 0 HD21 ASN B 56 -34.619 1.132 -9.869 1.00 1.58 H new ATOM 0 HD22 ASN B 56 -34.634 2.899 -9.907 1.00 1.58 H new ATOM 2686 N LYS B 57 -31.072 3.790 -8.866 1.00 1.21 N ATOM 2687 CA LYS B 57 -30.027 3.398 -9.806 1.00 1.29 C ATOM 2688 C LYS B 57 -28.651 3.700 -9.224 1.00 1.21 C ATOM 2689 O LYS B 57 -27.669 3.041 -9.559 1.00 1.26 O ATOM 2690 CB LYS B 57 -30.203 4.082 -11.167 1.00 1.39 C ATOM 2691 CG LYS B 57 -30.645 5.536 -11.090 1.00 1.52 C ATOM 2692 CD LYS B 57 -31.041 6.071 -12.458 1.00 1.62 C ATOM 2693 CE LYS B 57 -32.316 5.414 -12.963 1.00 1.73 C ATOM 2694 NZ LYS B 57 -33.499 5.815 -12.157 1.00 1.81 N ATOM 0 H LYS B 57 -31.564 4.649 -9.113 1.00 1.21 H new ATOM 0 HA LYS B 57 -30.112 2.324 -9.969 1.00 1.29 H new ATOM 0 HB2 LYS B 57 -29.259 4.031 -11.710 1.00 1.39 H new ATOM 0 HB3 LYS B 57 -30.936 3.523 -11.748 1.00 1.39 H new ATOM 0 HG2 LYS B 57 -31.488 5.625 -10.405 1.00 1.52 H new ATOM 0 HG3 LYS B 57 -29.837 6.142 -10.681 1.00 1.52 H new ATOM 0 HD2 LYS B 57 -31.184 7.150 -12.401 1.00 1.62 H new ATOM 0 HD3 LYS B 57 -30.233 5.894 -13.168 1.00 1.62 H new ATOM 0 HE2 LYS B 57 -32.477 5.687 -14.006 1.00 1.73 H new ATOM 0 HE3 LYS B 57 -32.204 4.330 -12.930 1.00 1.73 H new ATOM 0 HZ1 LYS B 57 -34.073 4.975 -11.941 1.00 1.81 H new ATOM 0 HZ2 LYS B 57 -33.182 6.255 -11.270 1.00 1.81 H new ATOM 0 HZ3 LYS B 57 -34.071 6.496 -12.696 1.00 1.81 H new ATOM 2708 N LEU B 58 -28.581 4.721 -8.375 1.00 1.12 N ATOM 2709 CA LEU B 58 -27.325 5.112 -7.740 1.00 1.09 C ATOM 2710 C LEU B 58 -26.766 3.967 -6.887 1.00 1.08 C ATOM 2711 O LEU B 58 -25.591 3.614 -7.001 1.00 1.11 O ATOM 2712 CB LEU B 58 -27.541 6.358 -6.870 1.00 1.06 C ATOM 2713 CG LEU B 58 -26.598 7.539 -7.139 1.00 1.21 C ATOM 2714 CD1 LEU B 58 -25.163 7.169 -6.786 1.00 1.37 C ATOM 2715 CD2 LEU B 58 -26.702 7.997 -8.589 1.00 1.40 C ATOM 0 H LEU B 58 -29.382 5.295 -8.110 1.00 1.12 H new ATOM 0 HA LEU B 58 -26.602 5.342 -8.523 1.00 1.09 H new ATOM 0 HB2 LEU B 58 -28.567 6.699 -7.008 1.00 1.06 H new ATOM 0 HB3 LEU B 58 -27.439 6.068 -5.824 1.00 1.06 H new ATOM 0 HG LEU B 58 -26.901 8.371 -6.503 1.00 1.21 H new ATOM 0 HD11 LEU B 58 -24.509 8.019 -6.983 1.00 1.37 H new ATOM 0 HD12 LEU B 58 -25.105 6.904 -5.730 1.00 1.37 H new ATOM 0 HD13 LEU B 58 -24.847 6.320 -7.391 1.00 1.37 H new ATOM 0 HD21 LEU B 58 -26.025 8.835 -8.755 1.00 1.40 H new ATOM 0 HD22 LEU B 58 -26.431 7.174 -9.251 1.00 1.40 H new ATOM 0 HD23 LEU B 58 -27.725 8.310 -8.799 1.00 1.40 H new ATOM 2727 N ILE B 59 -27.615 3.378 -6.045 1.00 1.08 N ATOM 2728 CA ILE B 59 -27.187 2.281 -5.182 1.00 1.15 C ATOM 2729 C ILE B 59 -26.828 1.043 -6.007 1.00 1.25 C ATOM 2730 O ILE B 59 -25.868 0.344 -5.685 1.00 1.32 O ATOM 2731 CB ILE B 59 -28.247 1.923 -4.104 1.00 1.20 C ATOM 2732 CG1 ILE B 59 -27.707 0.853 -3.147 1.00 1.33 C ATOM 2733 CG2 ILE B 59 -29.553 1.460 -4.738 1.00 1.22 C ATOM 2734 CD1 ILE B 59 -26.627 1.359 -2.213 1.00 1.37 C ATOM 0 H ILE B 59 -28.595 3.641 -5.943 1.00 1.08 H new ATOM 0 HA ILE B 59 -26.296 2.627 -4.657 1.00 1.15 H new ATOM 0 HB ILE B 59 -28.455 2.828 -3.534 1.00 1.20 H new ATOM 0 HG12 ILE B 59 -28.532 0.459 -2.554 1.00 1.33 H new ATOM 0 HG13 ILE B 59 -27.310 0.023 -3.731 1.00 1.33 H new ATOM 0 HG21 ILE B 59 -30.272 1.218 -3.955 1.00 1.22 H new ATOM 0 HG22 ILE B 59 -29.955 2.255 -5.366 1.00 1.22 H new ATOM 0 HG23 ILE B 59 -29.368 0.575 -5.347 1.00 1.22 H new ATOM 0 HD11 ILE B 59 -26.295 0.546 -1.567 1.00 1.37 H new ATOM 0 HD12 ILE B 59 -25.783 1.726 -2.797 1.00 1.37 H new ATOM 0 HD13 ILE B 59 -27.025 2.169 -1.602 1.00 1.37 H new ATOM 2746 N GLU B 60 -27.575 0.801 -7.089 1.00 1.29 N ATOM 2747 CA GLU B 60 -27.310 -0.345 -7.955 1.00 1.44 C ATOM 2748 C GLU B 60 -25.935 -0.196 -8.587 1.00 1.40 C ATOM 2749 O GLU B 60 -25.185 -1.164 -8.718 1.00 1.51 O ATOM 2750 CB GLU B 60 -28.374 -0.470 -9.050 1.00 1.54 C ATOM 2751 CG GLU B 60 -28.358 -1.821 -9.742 1.00 1.75 C ATOM 2752 CD GLU B 60 -28.899 -1.766 -11.150 1.00 1.96 C ATOM 2753 OE1 GLU B 60 -29.887 -1.040 -11.386 1.00 2.17 O ATOM 2754 OE2 GLU B 60 -28.335 -2.443 -12.034 1.00 2.28 O ATOM 0 H GLU B 60 -28.362 1.380 -7.382 1.00 1.29 H new ATOM 0 HA GLU B 60 -27.342 -1.250 -7.348 1.00 1.44 H new ATOM 0 HB2 GLU B 60 -29.359 -0.304 -8.613 1.00 1.54 H new ATOM 0 HB3 GLU B 60 -28.218 0.314 -9.791 1.00 1.54 H new ATOM 0 HG2 GLU B 60 -27.336 -2.200 -9.765 1.00 1.75 H new ATOM 0 HG3 GLU B 60 -28.947 -2.529 -9.159 1.00 1.75 H new ATOM 2761 N GLY B 61 -25.616 1.037 -8.958 1.00 1.29 N ATOM 2762 CA GLY B 61 -24.334 1.333 -9.560 1.00 1.28 C ATOM 2763 C GLY B 61 -23.194 1.057 -8.607 1.00 1.21 C ATOM 2764 O GLY B 61 -22.102 0.691 -9.032 1.00 1.23 O ATOM 0 H GLY B 61 -26.231 1.844 -8.850 1.00 1.29 H new ATOM 0 HA2 GLY B 61 -24.208 0.734 -10.462 1.00 1.28 H new ATOM 0 HA3 GLY B 61 -24.308 2.379 -9.866 1.00 1.28 H new ATOM 2768 N TYR B 62 -23.445 1.247 -7.317 1.00 1.19 N ATOM 2769 CA TYR B 62 -22.435 0.996 -6.300 1.00 1.23 C ATOM 2770 C TYR B 62 -22.188 -0.502 -6.153 1.00 1.35 C ATOM 2771 O TYR B 62 -21.062 -0.935 -5.891 1.00 1.37 O ATOM 2772 CB TYR B 62 -22.857 1.594 -4.956 1.00 1.28 C ATOM 2773 CG TYR B 62 -21.748 1.606 -3.930 1.00 1.60 C ATOM 2774 CD1 TYR B 62 -20.634 2.419 -4.098 1.00 2.11 C ATOM 2775 CD2 TYR B 62 -21.809 0.801 -2.798 1.00 2.25 C ATOM 2776 CE1 TYR B 62 -19.611 2.428 -3.170 1.00 2.72 C ATOM 2777 CE2 TYR B 62 -20.789 0.806 -1.863 1.00 2.90 C ATOM 2778 CZ TYR B 62 -19.694 1.621 -2.054 1.00 2.96 C ATOM 2779 OH TYR B 62 -18.667 1.618 -1.134 1.00 3.75 O ATOM 0 H TYR B 62 -24.340 1.574 -6.952 1.00 1.19 H new ATOM 0 HA TYR B 62 -21.509 1.476 -6.616 1.00 1.23 H new ATOM 0 HB2 TYR B 62 -23.206 2.614 -5.114 1.00 1.28 H new ATOM 0 HB3 TYR B 62 -23.700 1.026 -4.563 1.00 1.28 H new ATOM 0 HD1 TYR B 62 -20.567 3.054 -4.969 1.00 2.11 H new ATOM 0 HD2 TYR B 62 -22.666 0.162 -2.646 1.00 2.25 H new ATOM 0 HE1 TYR B 62 -18.750 3.064 -3.317 1.00 2.72 H new ATOM 0 HE2 TYR B 62 -20.851 0.175 -0.989 1.00 2.90 H new ATOM 0 HH TYR B 62 -18.881 0.997 -0.407 1.00 3.75 H new ATOM 2789 N THR B 63 -23.250 -1.286 -6.314 1.00 1.51 N ATOM 2790 CA THR B 63 -23.151 -2.733 -6.219 1.00 1.71 C ATOM 2791 C THR B 63 -22.243 -3.264 -7.321 1.00 1.67 C ATOM 2792 O THR B 63 -21.460 -4.197 -7.114 1.00 1.80 O ATOM 2793 CB THR B 63 -24.536 -3.396 -6.334 1.00 1.94 C ATOM 2794 OG1 THR B 63 -25.539 -2.508 -5.831 1.00 2.00 O ATOM 2795 CG2 THR B 63 -24.583 -4.705 -5.557 1.00 2.31 C ATOM 0 H THR B 63 -24.189 -0.940 -6.511 1.00 1.51 H new ATOM 0 HA THR B 63 -22.731 -2.978 -5.243 1.00 1.71 H new ATOM 0 HB THR B 63 -24.724 -3.611 -7.386 1.00 1.94 H new ATOM 0 HG1 THR B 63 -26.419 -2.932 -5.907 1.00 2.00 H new ATOM 0 HG21 THR B 63 -25.572 -5.151 -5.656 1.00 2.31 H new ATOM 0 HG22 THR B 63 -23.834 -5.391 -5.954 1.00 2.31 H new ATOM 0 HG23 THR B 63 -24.376 -4.511 -4.505 1.00 2.31 H new ATOM 2803 N TYR B 64 -22.357 -2.656 -8.493 1.00 1.57 N ATOM 2804 CA TYR B 64 -21.540 -3.025 -9.633 1.00 1.63 C ATOM 2805 C TYR B 64 -20.482 -1.955 -9.841 1.00 1.37 C ATOM 2806 O TYR B 64 -20.058 -1.684 -10.966 1.00 1.46 O ATOM 2807 CB TYR B 64 -22.398 -3.161 -10.893 1.00 1.90 C ATOM 2808 CG TYR B 64 -23.552 -4.129 -10.750 1.00 2.42 C ATOM 2809 CD1 TYR B 64 -23.328 -5.487 -10.584 1.00 2.81 C ATOM 2810 CD2 TYR B 64 -24.866 -3.681 -10.788 1.00 3.10 C ATOM 2811 CE1 TYR B 64 -24.381 -6.373 -10.456 1.00 3.50 C ATOM 2812 CE2 TYR B 64 -25.923 -4.558 -10.659 1.00 3.76 C ATOM 2813 CZ TYR B 64 -25.678 -5.902 -10.496 1.00 3.84 C ATOM 2814 OH TYR B 64 -26.734 -6.778 -10.374 1.00 4.62 O ATOM 0 H TYR B 64 -23.015 -1.898 -8.677 1.00 1.57 H new ATOM 0 HA TYR B 64 -21.067 -3.988 -9.440 1.00 1.63 H new ATOM 0 HB2 TYR B 64 -22.791 -2.180 -11.160 1.00 1.90 H new ATOM 0 HB3 TYR B 64 -21.764 -3.486 -11.718 1.00 1.90 H new ATOM 0 HD1 TYR B 64 -22.314 -5.859 -10.554 1.00 2.81 H new ATOM 0 HD2 TYR B 64 -25.064 -2.628 -10.921 1.00 3.10 H new ATOM 0 HE1 TYR B 64 -24.190 -7.428 -10.325 1.00 3.50 H new ATOM 0 HE2 TYR B 64 -26.938 -4.191 -10.686 1.00 3.76 H new ATOM 0 HH TYR B 64 -27.578 -6.282 -10.422 1.00 4.62 H new ATOM 2824 N GLY B 65 -20.072 -1.337 -8.738 1.00 1.20 N ATOM 2825 CA GLY B 65 -19.086 -0.283 -8.787 1.00 1.11 C ATOM 2826 C GLY B 65 -17.738 -0.755 -9.295 1.00 1.04 C ATOM 2827 O GLY B 65 -16.937 -1.308 -8.539 1.00 1.03 O ATOM 0 H GLY B 65 -20.413 -1.554 -7.801 1.00 1.20 H new ATOM 0 HA2 GLY B 65 -19.450 0.518 -9.430 1.00 1.11 H new ATOM 0 HA3 GLY B 65 -18.964 0.140 -7.790 1.00 1.11 H new ATOM 2831 N GLU B 66 -17.489 -0.525 -10.576 1.00 1.04 N ATOM 2832 CA GLU B 66 -16.234 -0.912 -11.202 1.00 1.02 C ATOM 2833 C GLU B 66 -15.081 -0.121 -10.596 1.00 0.98 C ATOM 2834 O GLU B 66 -13.990 -0.653 -10.393 1.00 0.95 O ATOM 2835 CB GLU B 66 -16.309 -0.687 -12.712 1.00 1.10 C ATOM 2836 CG GLU B 66 -17.062 -1.781 -13.447 1.00 1.36 C ATOM 2837 CD GLU B 66 -16.394 -3.133 -13.314 1.00 1.66 C ATOM 2838 OE1 GLU B 66 -15.506 -3.443 -14.134 1.00 2.08 O ATOM 2839 OE2 GLU B 66 -16.743 -3.889 -12.384 1.00 2.08 O ATOM 0 H GLU B 66 -18.147 -0.068 -11.207 1.00 1.04 H new ATOM 0 HA GLU B 66 -16.058 -1.972 -11.020 1.00 1.02 H new ATOM 0 HB2 GLU B 66 -16.793 0.270 -12.906 1.00 1.10 H new ATOM 0 HB3 GLU B 66 -15.298 -0.620 -13.113 1.00 1.10 H new ATOM 0 HG2 GLU B 66 -18.079 -1.842 -13.059 1.00 1.36 H new ATOM 0 HG3 GLU B 66 -17.139 -1.519 -14.502 1.00 1.36 H new ATOM 2846 N GLU B 67 -15.338 1.148 -10.293 1.00 1.00 N ATOM 2847 CA GLU B 67 -14.328 2.006 -9.687 1.00 1.01 C ATOM 2848 C GLU B 67 -13.979 1.489 -8.302 1.00 0.97 C ATOM 2849 O GLU B 67 -12.822 1.505 -7.892 1.00 0.95 O ATOM 2850 CB GLU B 67 -14.828 3.443 -9.587 1.00 1.10 C ATOM 2851 CG GLU B 67 -15.061 4.098 -10.931 1.00 1.53 C ATOM 2852 CD GLU B 67 -15.836 5.386 -10.804 1.00 1.81 C ATOM 2853 OE1 GLU B 67 -15.401 6.266 -10.042 1.00 2.44 O ATOM 2854 OE2 GLU B 67 -16.891 5.516 -11.457 1.00 2.28 O ATOM 0 H GLU B 67 -16.236 1.603 -10.457 1.00 1.00 H new ATOM 0 HA GLU B 67 -13.439 1.991 -10.318 1.00 1.01 H new ATOM 0 HB2 GLU B 67 -15.758 3.456 -9.019 1.00 1.10 H new ATOM 0 HB3 GLU B 67 -14.103 4.033 -9.025 1.00 1.10 H new ATOM 0 HG2 GLU B 67 -14.102 4.297 -11.408 1.00 1.53 H new ATOM 0 HG3 GLU B 67 -15.603 3.411 -11.580 1.00 1.53 H new ATOM 2861 N ARG B 68 -15.003 1.020 -7.593 1.00 0.98 N ATOM 2862 CA ARG B 68 -14.837 0.473 -6.254 1.00 0.99 C ATOM 2863 C ARG B 68 -13.925 -0.743 -6.314 1.00 0.95 C ATOM 2864 O ARG B 68 -13.063 -0.942 -5.455 1.00 0.95 O ATOM 2865 CB ARG B 68 -16.204 0.084 -5.683 1.00 1.04 C ATOM 2866 CG ARG B 68 -16.201 -0.244 -4.200 1.00 1.10 C ATOM 2867 CD ARG B 68 -17.499 -0.925 -3.794 1.00 1.41 C ATOM 2868 NE ARG B 68 -17.676 -0.974 -2.346 1.00 1.59 N ATOM 2869 CZ ARG B 68 -17.769 -2.107 -1.642 1.00 1.88 C ATOM 2870 NH1 ARG B 68 -17.607 -3.287 -2.235 1.00 2.30 N ATOM 2871 NH2 ARG B 68 -18.013 -2.061 -0.339 1.00 2.17 N ATOM 0 H ARG B 68 -15.965 1.009 -7.931 1.00 0.98 H new ATOM 0 HA ARG B 68 -14.386 1.223 -5.605 1.00 0.99 H new ATOM 0 HB2 ARG B 68 -16.903 0.902 -5.859 1.00 1.04 H new ATOM 0 HB3 ARG B 68 -16.580 -0.780 -6.232 1.00 1.04 H new ATOM 0 HG2 ARG B 68 -15.357 -0.893 -3.968 1.00 1.10 H new ATOM 0 HG3 ARG B 68 -16.068 0.670 -3.621 1.00 1.10 H new ATOM 0 HD2 ARG B 68 -18.339 -0.394 -4.242 1.00 1.41 H new ATOM 0 HD3 ARG B 68 -17.514 -1.939 -4.193 1.00 1.41 H new ATOM 0 HE ARG B 68 -17.732 -0.090 -1.840 1.00 1.59 H new ATOM 0 HH11 ARG B 68 -17.410 -3.333 -3.235 1.00 2.30 H new ATOM 0 HH12 ARG B 68 -17.680 -4.146 -1.690 1.00 2.30 H new ATOM 0 HH21 ARG B 68 -18.130 -1.161 0.127 1.00 2.17 H new ATOM 0 HH22 ARG B 68 -18.084 -2.926 0.197 1.00 2.17 H new ATOM 2885 N LYS B 69 -14.115 -1.541 -7.355 1.00 0.94 N ATOM 2886 CA LYS B 69 -13.318 -2.740 -7.570 1.00 0.94 C ATOM 2887 C LYS B 69 -11.874 -2.365 -7.891 1.00 0.89 C ATOM 2888 O LYS B 69 -10.942 -3.090 -7.551 1.00 0.88 O ATOM 2889 CB LYS B 69 -13.915 -3.555 -8.717 1.00 1.00 C ATOM 2890 CG LYS B 69 -13.944 -5.051 -8.456 1.00 1.28 C ATOM 2891 CD LYS B 69 -14.969 -5.745 -9.337 1.00 1.46 C ATOM 2892 CE LYS B 69 -14.511 -5.811 -10.785 1.00 1.55 C ATOM 2893 NZ LYS B 69 -15.626 -6.171 -11.695 1.00 1.70 N ATOM 0 H LYS B 69 -14.822 -1.377 -8.071 1.00 0.94 H new ATOM 0 HA LYS B 69 -13.327 -3.340 -6.660 1.00 0.94 H new ATOM 0 HB2 LYS B 69 -14.931 -3.209 -8.906 1.00 1.00 H new ATOM 0 HB3 LYS B 69 -13.340 -3.365 -9.623 1.00 1.00 H new ATOM 0 HG2 LYS B 69 -12.957 -5.474 -8.641 1.00 1.28 H new ATOM 0 HG3 LYS B 69 -14.178 -5.235 -7.408 1.00 1.28 H new ATOM 0 HD2 LYS B 69 -15.146 -6.754 -8.965 1.00 1.46 H new ATOM 0 HD3 LYS B 69 -15.919 -5.213 -9.279 1.00 1.46 H new ATOM 0 HE2 LYS B 69 -14.096 -4.847 -11.080 1.00 1.55 H new ATOM 0 HE3 LYS B 69 -13.711 -6.545 -10.881 1.00 1.55 H new ATOM 0 HZ1 LYS B 69 -15.241 -6.487 -12.608 1.00 1.70 H new ATOM 0 HZ2 LYS B 69 -16.186 -6.938 -11.271 1.00 1.70 H new ATOM 0 HZ3 LYS B 69 -16.234 -5.341 -11.844 1.00 1.70 H new ATOM 2907 N LEU B 70 -11.708 -1.222 -8.542 1.00 0.89 N ATOM 2908 CA LEU B 70 -10.391 -0.723 -8.910 1.00 0.87 C ATOM 2909 C LEU B 70 -9.585 -0.380 -7.659 1.00 0.83 C ATOM 2910 O LEU B 70 -8.373 -0.585 -7.617 1.00 0.82 O ATOM 2911 CB LEU B 70 -10.521 0.515 -9.808 1.00 0.91 C ATOM 2912 CG LEU B 70 -9.209 1.235 -10.139 1.00 0.96 C ATOM 2913 CD1 LEU B 70 -8.314 0.358 -11.006 1.00 1.04 C ATOM 2914 CD2 LEU B 70 -9.491 2.561 -10.829 1.00 1.04 C ATOM 0 H LEU B 70 -12.478 -0.618 -8.828 1.00 0.89 H new ATOM 0 HA LEU B 70 -9.868 -1.504 -9.462 1.00 0.87 H new ATOM 0 HB2 LEU B 70 -10.996 0.215 -10.742 1.00 0.91 H new ATOM 0 HB3 LEU B 70 -11.191 1.225 -9.323 1.00 0.91 H new ATOM 0 HG LEU B 70 -8.684 1.436 -9.205 1.00 0.96 H new ATOM 0 HD11 LEU B 70 -7.389 0.890 -11.228 1.00 1.04 H new ATOM 0 HD12 LEU B 70 -8.083 -0.565 -10.474 1.00 1.04 H new ATOM 0 HD13 LEU B 70 -8.829 0.121 -11.937 1.00 1.04 H new ATOM 0 HD21 LEU B 70 -8.549 3.060 -11.057 1.00 1.04 H new ATOM 0 HD22 LEU B 70 -10.040 2.381 -11.753 1.00 1.04 H new ATOM 0 HD23 LEU B 70 -10.087 3.194 -10.171 1.00 1.04 H new ATOM 2926 N TYR B 71 -10.267 0.128 -6.639 1.00 0.84 N ATOM 2927 CA TYR B 71 -9.611 0.501 -5.386 1.00 0.84 C ATOM 2928 C TYR B 71 -9.156 -0.739 -4.632 1.00 0.83 C ATOM 2929 O TYR B 71 -8.104 -0.739 -3.993 1.00 0.82 O ATOM 2930 CB TYR B 71 -10.550 1.348 -4.518 1.00 0.91 C ATOM 2931 CG TYR B 71 -11.134 2.523 -5.261 1.00 0.92 C ATOM 2932 CD1 TYR B 71 -10.362 3.251 -6.153 1.00 0.93 C ATOM 2933 CD2 TYR B 71 -12.458 2.895 -5.078 1.00 1.01 C ATOM 2934 CE1 TYR B 71 -10.890 4.316 -6.843 1.00 1.00 C ATOM 2935 CE2 TYR B 71 -12.994 3.964 -5.765 1.00 1.09 C ATOM 2936 CZ TYR B 71 -12.203 4.668 -6.648 1.00 1.07 C ATOM 2937 OH TYR B 71 -12.728 5.724 -7.346 1.00 1.19 O ATOM 0 H TYR B 71 -11.274 0.292 -6.653 1.00 0.84 H new ATOM 0 HA TYR B 71 -8.731 1.099 -5.623 1.00 0.84 H new ATOM 0 HB2 TYR B 71 -11.360 0.720 -4.148 1.00 0.91 H new ATOM 0 HB3 TYR B 71 -10.004 1.710 -3.647 1.00 0.91 H new ATOM 0 HD1 TYR B 71 -9.329 2.977 -6.308 1.00 0.93 H new ATOM 0 HD2 TYR B 71 -13.077 2.340 -4.389 1.00 1.01 H new ATOM 0 HE1 TYR B 71 -10.276 4.873 -7.535 1.00 1.00 H new ATOM 0 HE2 TYR B 71 -14.025 4.247 -5.613 1.00 1.09 H new ATOM 0 HH TYR B 71 -12.313 6.557 -7.040 1.00 1.19 H new ATOM 2947 N ASP B 72 -9.954 -1.794 -4.713 1.00 0.86 N ATOM 2948 CA ASP B 72 -9.619 -3.058 -4.059 1.00 0.88 C ATOM 2949 C ASP B 72 -8.345 -3.629 -4.668 1.00 0.85 C ATOM 2950 O ASP B 72 -7.410 -4.000 -3.957 1.00 0.85 O ATOM 2951 CB ASP B 72 -10.778 -4.051 -4.199 1.00 0.95 C ATOM 2952 CG ASP B 72 -10.488 -5.407 -3.576 1.00 1.07 C ATOM 2953 OD1 ASP B 72 -9.597 -5.506 -2.708 1.00 1.31 O ATOM 2954 OD2 ASP B 72 -11.170 -6.389 -3.949 1.00 1.32 O ATOM 0 H ASP B 72 -10.837 -1.803 -5.223 1.00 0.86 H new ATOM 0 HA ASP B 72 -9.450 -2.879 -2.997 1.00 0.88 H new ATOM 0 HB2 ASP B 72 -11.668 -3.628 -3.733 1.00 0.95 H new ATOM 0 HB3 ASP B 72 -11.006 -4.186 -5.256 1.00 0.95 H new ATOM 2959 N SER B 73 -8.303 -3.656 -5.996 1.00 0.84 N ATOM 2960 CA SER B 73 -7.139 -4.156 -6.714 1.00 0.83 C ATOM 2961 C SER B 73 -5.919 -3.274 -6.442 1.00 0.79 C ATOM 2962 O SER B 73 -4.782 -3.740 -6.479 1.00 0.78 O ATOM 2963 CB SER B 73 -7.419 -4.210 -8.216 1.00 0.86 C ATOM 2964 OG SER B 73 -8.534 -5.038 -8.499 1.00 0.91 O ATOM 0 H SER B 73 -9.063 -3.337 -6.596 1.00 0.84 H new ATOM 0 HA SER B 73 -6.928 -5.165 -6.359 1.00 0.83 H new ATOM 0 HB2 SER B 73 -7.606 -3.203 -8.590 1.00 0.86 H new ATOM 0 HB3 SER B 73 -6.540 -4.587 -8.739 1.00 0.86 H new ATOM 0 HG SER B 73 -9.360 -4.570 -8.255 1.00 0.91 H new ATOM 2970 N ALA B 74 -6.161 -1.995 -6.167 1.00 0.79 N ATOM 2971 CA ALA B 74 -5.085 -1.057 -5.874 1.00 0.78 C ATOM 2972 C ALA B 74 -4.420 -1.419 -4.553 1.00 0.74 C ATOM 2973 O ALA B 74 -3.206 -1.277 -4.394 1.00 0.72 O ATOM 2974 CB ALA B 74 -5.613 0.369 -5.839 1.00 0.81 C ATOM 0 H ALA B 74 -7.095 -1.585 -6.141 1.00 0.79 H new ATOM 0 HA ALA B 74 -4.339 -1.121 -6.666 1.00 0.78 H new ATOM 0 HB1 ALA B 74 -4.795 1.055 -5.619 1.00 0.81 H new ATOM 0 HB2 ALA B 74 -6.046 0.620 -6.807 1.00 0.81 H new ATOM 0 HB3 ALA B 74 -6.377 0.455 -5.066 1.00 0.81 H new ATOM 2980 N LEU B 75 -5.221 -1.905 -3.614 1.00 0.76 N ATOM 2981 CA LEU B 75 -4.714 -2.313 -2.313 1.00 0.76 C ATOM 2982 C LEU B 75 -3.853 -3.561 -2.476 1.00 0.73 C ATOM 2983 O LEU B 75 -2.863 -3.747 -1.768 1.00 0.71 O ATOM 2984 CB LEU B 75 -5.867 -2.589 -1.344 1.00 0.81 C ATOM 2985 CG LEU B 75 -5.791 -1.855 0.000 1.00 0.89 C ATOM 2986 CD1 LEU B 75 -4.487 -2.167 0.718 1.00 1.13 C ATOM 2987 CD2 LEU B 75 -5.943 -0.354 -0.201 1.00 1.14 C ATOM 0 H LEU B 75 -6.227 -2.026 -3.731 1.00 0.76 H new ATOM 0 HA LEU B 75 -4.110 -1.505 -1.899 1.00 0.76 H new ATOM 0 HB2 LEU B 75 -6.802 -2.318 -1.834 1.00 0.81 H new ATOM 0 HB3 LEU B 75 -5.907 -3.661 -1.151 1.00 0.81 H new ATOM 0 HG LEU B 75 -6.613 -2.206 0.623 1.00 0.89 H new ATOM 0 HD11 LEU B 75 -4.458 -1.634 1.668 1.00 1.13 H new ATOM 0 HD12 LEU B 75 -4.420 -3.239 0.901 1.00 1.13 H new ATOM 0 HD13 LEU B 75 -3.647 -1.852 0.100 1.00 1.13 H new ATOM 0 HD21 LEU B 75 -5.886 0.150 0.764 1.00 1.14 H new ATOM 0 HD22 LEU B 75 -5.144 0.009 -0.847 1.00 1.14 H new ATOM 0 HD23 LEU B 75 -6.908 -0.145 -0.664 1.00 1.14 H new ATOM 2999 N SER B 76 -4.233 -4.410 -3.425 1.00 0.75 N ATOM 3000 CA SER B 76 -3.491 -5.631 -3.703 1.00 0.75 C ATOM 3001 C SER B 76 -2.088 -5.287 -4.195 1.00 0.72 C ATOM 3002 O SER B 76 -1.121 -6.000 -3.912 1.00 0.72 O ATOM 3003 CB SER B 76 -4.234 -6.474 -4.746 1.00 0.81 C ATOM 3004 OG SER B 76 -5.641 -6.338 -4.597 1.00 0.91 O ATOM 0 H SER B 76 -5.053 -4.273 -4.015 1.00 0.75 H new ATOM 0 HA SER B 76 -3.406 -6.213 -2.785 1.00 0.75 H new ATOM 0 HB2 SER B 76 -3.938 -6.164 -5.748 1.00 0.81 H new ATOM 0 HB3 SER B 76 -3.952 -7.522 -4.641 1.00 0.81 H new ATOM 0 HG SER B 76 -6.096 -6.883 -5.273 1.00 0.91 H new ATOM 3010 N LYS B 77 -1.990 -4.177 -4.922 1.00 0.72 N ATOM 3011 CA LYS B 77 -0.716 -3.702 -5.439 1.00 0.71 C ATOM 3012 C LYS B 77 0.192 -3.322 -4.274 1.00 0.67 C ATOM 3013 O LYS B 77 1.392 -3.585 -4.292 1.00 0.66 O ATOM 3014 CB LYS B 77 -0.932 -2.503 -6.371 1.00 0.75 C ATOM 3015 CG LYS B 77 -1.891 -2.796 -7.519 1.00 0.93 C ATOM 3016 CD LYS B 77 -2.165 -1.560 -8.367 1.00 1.09 C ATOM 3017 CE LYS B 77 -1.079 -1.347 -9.409 1.00 1.34 C ATOM 3018 NZ LYS B 77 -1.644 -0.960 -10.729 1.00 1.68 N ATOM 0 H LYS B 77 -2.786 -3.588 -5.166 1.00 0.72 H new ATOM 0 HA LYS B 77 -0.241 -4.496 -6.016 1.00 0.71 H new ATOM 0 HB2 LYS B 77 -1.317 -1.665 -5.790 1.00 0.75 H new ATOM 0 HB3 LYS B 77 0.029 -2.192 -6.780 1.00 0.75 H new ATOM 0 HG2 LYS B 77 -1.473 -3.581 -8.148 1.00 0.93 H new ATOM 0 HG3 LYS B 77 -2.831 -3.175 -7.118 1.00 0.93 H new ATOM 0 HD2 LYS B 77 -3.130 -1.664 -8.862 1.00 1.09 H new ATOM 0 HD3 LYS B 77 -2.230 -0.683 -7.723 1.00 1.09 H new ATOM 0 HE2 LYS B 77 -0.394 -0.571 -9.066 1.00 1.34 H new ATOM 0 HE3 LYS B 77 -0.496 -2.262 -9.518 1.00 1.34 H new ATOM 0 HZ1 LYS B 77 -0.871 -0.824 -11.411 1.00 1.68 H new ATOM 0 HZ2 LYS B 77 -2.278 -1.711 -11.069 1.00 1.68 H new ATOM 0 HZ3 LYS B 77 -2.179 -0.074 -10.631 1.00 1.68 H new ATOM 3032 N ILE B 78 -0.407 -2.723 -3.249 1.00 0.66 N ATOM 3033 CA ILE B 78 0.322 -2.324 -2.054 1.00 0.64 C ATOM 3034 C ILE B 78 0.857 -3.556 -1.334 1.00 0.63 C ATOM 3035 O ILE B 78 2.015 -3.595 -0.911 1.00 0.64 O ATOM 3036 CB ILE B 78 -0.576 -1.522 -1.086 1.00 0.67 C ATOM 3037 CG1 ILE B 78 -1.143 -0.280 -1.781 1.00 0.90 C ATOM 3038 CG2 ILE B 78 0.194 -1.130 0.170 1.00 0.79 C ATOM 3039 CD1 ILE B 78 -0.108 0.783 -2.092 1.00 1.15 C ATOM 0 H ILE B 78 -1.403 -2.503 -3.225 1.00 0.66 H new ATOM 0 HA ILE B 78 1.149 -1.687 -2.368 1.00 0.64 H new ATOM 0 HB ILE B 78 -1.408 -2.160 -0.788 1.00 0.67 H new ATOM 0 HG12 ILE B 78 -1.625 -0.585 -2.710 1.00 0.90 H new ATOM 0 HG13 ILE B 78 -1.917 0.156 -1.149 1.00 0.90 H new ATOM 0 HG21 ILE B 78 -0.459 -0.566 0.836 1.00 0.79 H new ATOM 0 HG22 ILE B 78 0.542 -2.029 0.679 1.00 0.79 H new ATOM 0 HG23 ILE B 78 1.050 -0.514 -0.105 1.00 0.79 H new ATOM 0 HD11 ILE B 78 -0.591 1.628 -2.583 1.00 1.15 H new ATOM 0 HD12 ILE B 78 0.358 1.119 -1.166 1.00 1.15 H new ATOM 0 HD13 ILE B 78 0.654 0.367 -2.751 1.00 1.15 H new ATOM 3051 N GLU B 79 0.004 -4.570 -1.219 1.00 0.65 N ATOM 3052 CA GLU B 79 0.364 -5.821 -0.559 1.00 0.67 C ATOM 3053 C GLU B 79 1.546 -6.473 -1.268 1.00 0.67 C ATOM 3054 O GLU B 79 2.404 -7.092 -0.638 1.00 0.70 O ATOM 3055 CB GLU B 79 -0.833 -6.777 -0.545 1.00 0.71 C ATOM 3056 CG GLU B 79 -0.638 -7.982 0.363 1.00 0.77 C ATOM 3057 CD GLU B 79 -1.363 -9.215 -0.135 1.00 1.10 C ATOM 3058 OE1 GLU B 79 -0.995 -9.725 -1.214 1.00 1.59 O ATOM 3059 OE2 GLU B 79 -2.307 -9.674 0.545 1.00 1.74 O ATOM 0 H GLU B 79 -0.950 -4.548 -1.578 1.00 0.65 H new ATOM 0 HA GLU B 79 0.650 -5.601 0.469 1.00 0.67 H new ATOM 0 HB2 GLU B 79 -1.720 -6.231 -0.225 1.00 0.71 H new ATOM 0 HB3 GLU B 79 -1.022 -7.124 -1.561 1.00 0.71 H new ATOM 0 HG2 GLU B 79 0.427 -8.201 0.446 1.00 0.77 H new ATOM 0 HG3 GLU B 79 -0.992 -7.738 1.365 1.00 0.77 H new ATOM 3066 N LYS B 80 1.584 -6.321 -2.587 1.00 0.67 N ATOM 3067 CA LYS B 80 2.661 -6.878 -3.392 1.00 0.69 C ATOM 3068 C LYS B 80 3.985 -6.222 -3.029 1.00 0.68 C ATOM 3069 O LYS B 80 5.012 -6.895 -2.906 1.00 0.72 O ATOM 3070 CB LYS B 80 2.375 -6.693 -4.881 1.00 0.72 C ATOM 3071 CG LYS B 80 1.294 -7.620 -5.414 1.00 0.79 C ATOM 3072 CD LYS B 80 1.208 -7.556 -6.932 1.00 1.18 C ATOM 3073 CE LYS B 80 2.459 -8.119 -7.592 1.00 1.78 C ATOM 3074 NZ LYS B 80 2.687 -9.545 -7.240 1.00 2.05 N ATOM 0 H LYS B 80 0.878 -5.815 -3.122 1.00 0.67 H new ATOM 0 HA LYS B 80 2.726 -7.946 -3.183 1.00 0.69 H new ATOM 0 HB2 LYS B 80 2.076 -5.660 -5.059 1.00 0.72 H new ATOM 0 HB3 LYS B 80 3.294 -6.860 -5.442 1.00 0.72 H new ATOM 0 HG2 LYS B 80 1.504 -8.643 -5.103 1.00 0.79 H new ATOM 0 HG3 LYS B 80 0.332 -7.346 -4.981 1.00 0.79 H new ATOM 0 HD2 LYS B 80 0.335 -8.114 -7.271 1.00 1.18 H new ATOM 0 HD3 LYS B 80 1.066 -6.522 -7.245 1.00 1.18 H new ATOM 0 HE2 LYS B 80 2.371 -8.023 -8.674 1.00 1.78 H new ATOM 0 HE3 LYS B 80 3.324 -7.529 -7.289 1.00 1.78 H new ATOM 0 HZ1 LYS B 80 3.383 -9.957 -7.893 1.00 2.05 H new ATOM 0 HZ2 LYS B 80 3.046 -9.609 -6.266 1.00 2.05 H new ATOM 0 HZ3 LYS B 80 1.791 -10.068 -7.314 1.00 2.05 H new ATOM 3088 N LEU B 81 3.952 -4.908 -2.847 1.00 0.65 N ATOM 3089 CA LEU B 81 5.143 -4.155 -2.483 1.00 0.67 C ATOM 3090 C LEU B 81 5.650 -4.604 -1.123 1.00 0.68 C ATOM 3091 O LEU B 81 6.854 -4.765 -0.919 1.00 0.72 O ATOM 3092 CB LEU B 81 4.850 -2.649 -2.467 1.00 0.67 C ATOM 3093 CG LEU B 81 5.281 -1.880 -3.721 1.00 0.78 C ATOM 3094 CD1 LEU B 81 6.776 -2.030 -3.954 1.00 1.02 C ATOM 3095 CD2 LEU B 81 4.498 -2.350 -4.938 1.00 0.97 C ATOM 0 H LEU B 81 3.110 -4.341 -2.946 1.00 0.65 H new ATOM 0 HA LEU B 81 5.913 -4.347 -3.230 1.00 0.67 H new ATOM 0 HB2 LEU B 81 3.779 -2.506 -2.325 1.00 0.67 H new ATOM 0 HB3 LEU B 81 5.348 -2.209 -1.603 1.00 0.67 H new ATOM 0 HG LEU B 81 5.063 -0.824 -3.564 1.00 0.78 H new ATOM 0 HD11 LEU B 81 7.062 -1.477 -4.849 1.00 1.02 H new ATOM 0 HD12 LEU B 81 7.319 -1.637 -3.095 1.00 1.02 H new ATOM 0 HD13 LEU B 81 7.020 -3.084 -4.086 1.00 1.02 H new ATOM 0 HD21 LEU B 81 4.820 -1.791 -5.816 1.00 0.97 H new ATOM 0 HD22 LEU B 81 4.678 -3.413 -5.098 1.00 0.97 H new ATOM 0 HD23 LEU B 81 3.434 -2.184 -4.772 1.00 0.97 H new ATOM 3107 N ILE B 82 4.716 -4.826 -0.201 1.00 0.68 N ATOM 3108 CA ILE B 82 5.053 -5.279 1.143 1.00 0.72 C ATOM 3109 C ILE B 82 5.771 -6.624 1.067 1.00 0.77 C ATOM 3110 O ILE B 82 6.811 -6.833 1.694 1.00 0.81 O ATOM 3111 CB ILE B 82 3.791 -5.413 2.035 1.00 0.72 C ATOM 3112 CG1 ILE B 82 3.117 -4.045 2.219 1.00 0.70 C ATOM 3113 CG2 ILE B 82 4.138 -6.034 3.388 1.00 0.78 C ATOM 3114 CD1 ILE B 82 1.914 -4.063 3.145 1.00 0.72 C ATOM 0 H ILE B 82 3.717 -4.698 -0.363 1.00 0.68 H new ATOM 0 HA ILE B 82 5.706 -4.532 1.594 1.00 0.72 H new ATOM 0 HB ILE B 82 3.089 -6.079 1.533 1.00 0.72 H new ATOM 0 HG12 ILE B 82 3.851 -3.340 2.609 1.00 0.70 H new ATOM 0 HG13 ILE B 82 2.805 -3.672 1.243 1.00 0.70 H new ATOM 0 HG21 ILE B 82 3.235 -6.116 3.993 1.00 0.78 H new ATOM 0 HG22 ILE B 82 4.564 -7.026 3.235 1.00 0.78 H new ATOM 0 HG23 ILE B 82 4.863 -5.404 3.902 1.00 0.78 H new ATOM 0 HD11 ILE B 82 1.498 -3.058 3.220 1.00 0.72 H new ATOM 0 HD12 ILE B 82 1.158 -4.740 2.747 1.00 0.72 H new ATOM 0 HD13 ILE B 82 2.221 -4.403 4.134 1.00 0.72 H new ATOM 3126 N GLU B 83 5.224 -7.516 0.251 1.00 0.78 N ATOM 3127 CA GLU B 83 5.786 -8.847 0.071 1.00 0.85 C ATOM 3128 C GLU B 83 7.163 -8.794 -0.585 1.00 0.87 C ATOM 3129 O GLU B 83 7.970 -9.709 -0.426 1.00 0.94 O ATOM 3130 CB GLU B 83 4.842 -9.724 -0.754 1.00 0.88 C ATOM 3131 CG GLU B 83 5.023 -11.219 -0.505 1.00 1.11 C ATOM 3132 CD GLU B 83 4.607 -11.648 0.892 1.00 1.73 C ATOM 3133 OE1 GLU B 83 5.023 -11.001 1.877 1.00 2.41 O ATOM 3134 OE2 GLU B 83 3.866 -12.649 1.013 1.00 2.25 O ATOM 0 H GLU B 83 4.385 -7.339 -0.301 1.00 0.78 H new ATOM 0 HA GLU B 83 5.904 -9.287 1.061 1.00 0.85 H new ATOM 0 HB2 GLU B 83 3.812 -9.448 -0.527 1.00 0.88 H new ATOM 0 HB3 GLU B 83 5.001 -9.519 -1.813 1.00 0.88 H new ATOM 0 HG2 GLU B 83 4.439 -11.776 -1.238 1.00 1.11 H new ATOM 0 HG3 GLU B 83 6.069 -11.483 -0.663 1.00 1.11 H new ATOM 3141 N THR B 84 7.436 -7.725 -1.327 1.00 0.83 N ATOM 3142 CA THR B 84 8.721 -7.576 -1.991 1.00 0.87 C ATOM 3143 C THR B 84 9.819 -7.311 -0.959 1.00 0.91 C ATOM 3144 O THR B 84 10.998 -7.586 -1.194 1.00 0.98 O ATOM 3145 CB THR B 84 8.687 -6.432 -3.027 1.00 0.84 C ATOM 3146 OG1 THR B 84 7.523 -6.554 -3.864 1.00 0.84 O ATOM 3147 CG2 THR B 84 9.935 -6.443 -3.897 1.00 0.87 C ATOM 0 H THR B 84 6.786 -6.954 -1.482 1.00 0.83 H new ATOM 0 HA THR B 84 8.936 -8.506 -2.518 1.00 0.87 H new ATOM 0 HB THR B 84 8.649 -5.489 -2.481 1.00 0.84 H new ATOM 0 HG1 THR B 84 6.716 -6.511 -3.310 1.00 0.84 H new ATOM 0 HG21 THR B 84 9.884 -5.627 -4.617 1.00 0.87 H new ATOM 0 HG22 THR B 84 10.817 -6.318 -3.269 1.00 0.87 H new ATOM 0 HG23 THR B 84 10.000 -7.392 -4.429 1.00 0.87 H new ATOM 3155 N LEU B 85 9.410 -6.782 0.189 1.00 0.90 N ATOM 3156 CA LEU B 85 10.335 -6.485 1.274 1.00 0.98 C ATOM 3157 C LEU B 85 10.509 -7.711 2.161 1.00 1.07 C ATOM 3158 O LEU B 85 11.420 -7.775 2.983 1.00 1.22 O ATOM 3159 CB LEU B 85 9.831 -5.296 2.099 1.00 0.97 C ATOM 3160 CG LEU B 85 9.582 -4.019 1.299 1.00 0.91 C ATOM 3161 CD1 LEU B 85 8.895 -2.984 2.169 1.00 1.03 C ATOM 3162 CD2 LEU B 85 10.887 -3.468 0.742 1.00 1.01 C ATOM 0 H LEU B 85 8.438 -6.549 0.392 1.00 0.90 H new ATOM 0 HA LEU B 85 11.302 -6.220 0.846 1.00 0.98 H new ATOM 0 HB2 LEU B 85 8.904 -5.583 2.595 1.00 0.97 H new ATOM 0 HB3 LEU B 85 10.558 -5.081 2.882 1.00 0.97 H new ATOM 0 HG LEU B 85 8.930 -4.258 0.459 1.00 0.91 H new ATOM 0 HD11 LEU B 85 8.722 -2.078 1.589 1.00 1.03 H new ATOM 0 HD12 LEU B 85 7.941 -3.378 2.519 1.00 1.03 H new ATOM 0 HD13 LEU B 85 9.527 -2.751 3.026 1.00 1.03 H new ATOM 0 HD21 LEU B 85 10.686 -2.559 0.176 1.00 1.01 H new ATOM 0 HD22 LEU B 85 11.566 -3.241 1.564 1.00 1.01 H new ATOM 0 HD23 LEU B 85 11.345 -4.209 0.087 1.00 1.01 H new ATOM 3174 N SER B 86 9.631 -8.690 1.977 1.00 1.08 N ATOM 3175 CA SER B 86 9.684 -9.923 2.746 1.00 1.20 C ATOM 3176 C SER B 86 10.873 -10.775 2.306 1.00 1.59 C ATOM 3177 O SER B 86 11.143 -10.901 1.111 1.00 2.11 O ATOM 3178 CB SER B 86 8.387 -10.708 2.557 1.00 1.48 C ATOM 3179 OG SER B 86 7.257 -9.889 2.804 1.00 1.78 O ATOM 0 H SER B 86 8.871 -8.651 1.298 1.00 1.08 H new ATOM 0 HA SER B 86 9.804 -9.672 3.800 1.00 1.20 H new ATOM 0 HB2 SER B 86 8.341 -11.101 1.542 1.00 1.48 H new ATOM 0 HB3 SER B 86 8.374 -11.564 3.231 1.00 1.48 H new ATOM 0 HG SER B 86 6.440 -10.425 2.721 1.00 1.78 H new