USER MOD reduce.3.24.130724 H: found=0, std=0, add=1194, rem=0, adj=53 USER MOD reduce.3.24.130724 removed 1198 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: B 24 TYR OH : rot 94:sc= 1.24 USER MOD Set 1.2: B 45 THR OG1 : rot -71:sc= 2.22 USER MOD Set 2.1: A 24 TYR OH : rot 95:sc= 1.24 USER MOD Set 2.2: A 45 THR OG1 : rot -71:sc= 2.27 USER MOD Set 3.1: A 13 CYS SG : rot 98:sc= -6.98! USER MOD Set 3.2: B 13 CYS SG : rot -46:sc= -8.59! USER MOD Single : A 8 THR OG1 : rot -157:sc= -1.73! USER MOD Single : A 10 THR OG1 : rot 163:sc= -0.075 USER MOD Single : A 16 SER OG : rot 78:sc= 0.645 USER MOD Single : A 22 GLN : amide:sc= -0.259 K(o=-0.26,f=-0.87) USER MOD Single : A 23 LYS NZ :NH3+ 178:sc= 1.22 (180deg=1.18) USER MOD Single : A 33 THR OG1 : rot 18:sc= 0.644 USER MOD Single : A 35 SER OG : rot 180:sc= -0.0578 USER MOD Single : A 36 LYS NZ :NH3+ -160:sc= 1.29 (180deg=0.859) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot -77:sc= 0.956 USER MOD Single : A 43 MET CE :methyl -116:sc= -0.44 (180deg=-0.727) USER MOD Single : A 44 ASN : amide:sc= -0.0925 X(o=-0.092,f=-0.092) USER MOD Single : A 51 THR OG1 : rot 114:sc= 1.25 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 MET CE :methyl 158:sc= 0 (180deg=-1.07) USER MOD Single : A 64 MET CE :methyl -177:sc= -0.783 (180deg=-0.855) USER MOD Single : A 65 LYS NZ :NH3+ 178:sc= 1.24 (180deg=1.09) USER MOD Single : A 66 LYS NZ :NH3+ 156:sc= 0.903 (180deg=0.539) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -0.012 K(o=-0.012,f=-0.96) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 GLN :FLIP amide:sc= -0.247 F(o=-1.9,f=-0.25) USER MOD Single : A 78 SER OG : rot 23:sc= 1.22 USER MOD Single : A 82 ASN :FLIP amide:sc= -0.251 F(o=-1.2!,f=-0.25) USER MOD Single : A 89 MET CE :methyl -164:sc= -0.14 (180deg=-0.655) USER MOD Single : A 91 CYS SG : rot 69:sc= 0.439 USER MOD Single : A 92 HIS : no HE2:sc= 0.0454 K(o=0.045,f=-2.7!) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : B 8 THR OG1 : rot -170:sc= -1.92! USER MOD Single : B 10 THR OG1 : rot 163:sc= -0.0832 USER MOD Single : B 16 SER OG : rot 78:sc= 0.64 USER MOD Single : B 22 GLN : amide:sc= -0.21 K(o=-0.21,f=-0.78) USER MOD Single : B 23 LYS NZ :NH3+ -176:sc= 1.22 (180deg=1.12) USER MOD Single : B 33 THR OG1 : rot 16:sc= 0.588 USER MOD Single : B 35 SER OG : rot 180:sc= -0.0555 USER MOD Single : B 36 LYS NZ :NH3+ -159:sc= 1.3 (180deg=0.866) USER MOD Single : B 37 THR OG1 : rot 180:sc= 0 USER MOD Single : B 41 SER OG : rot -77:sc= 0.891 USER MOD Single : B 43 MET CE :methyl -116:sc= -0.46 (180deg=-0.737) USER MOD Single : B 44 ASN : amide:sc= -0.0667 X(o=-0.067,f=-0.067) USER MOD Single : B 51 THR OG1 : rot 123:sc= 1.24 USER MOD Single : B 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 63 MET CE :methyl 158:sc= 0 (180deg=-1.1) USER MOD Single : B 64 MET CE :methyl -174:sc= -0.861 (180deg=-0.892) USER MOD Single : B 65 LYS NZ :NH3+ 180:sc= 1.27 (180deg=1.27) USER MOD Single : B 66 LYS NZ :NH3+ 157:sc= 0.908 (180deg=0.554) USER MOD Single : B 69 THR OG1 : rot 180:sc= 0 USER MOD Single : B 70 ASN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : B 71 SER OG : rot 180:sc= 0 USER MOD Single : B 74 GLN :FLIP amide:sc= -0.411 F(o=-1.9,f=-0.41) USER MOD Single : B 78 SER OG : rot 20:sc= 1.24 USER MOD Single : B 82 ASN :FLIP amide:sc= -0.204 F(o=-1.2!,f=-0.2) USER MOD Single : B 89 MET CE :methyl -165:sc= -0.161 (180deg=-0.673) USER MOD Single : B 91 CYS SG : rot 70:sc= 0.438 USER MOD Single : B 92 HIS : no HE2:sc= -0.136 K(o=-0.14,f=-2.6!) USER MOD Single : B 94 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 93 N PRO A 7 -5.711 8.845 12.116 1.00 0.69 N ATOM 94 CA PRO A 7 -5.788 8.054 10.888 1.00 0.54 C ATOM 95 C PRO A 7 -6.421 6.690 11.128 1.00 0.44 C ATOM 96 O PRO A 7 -6.354 6.142 12.235 1.00 0.56 O ATOM 97 CB PRO A 7 -4.319 7.893 10.513 1.00 0.61 C ATOM 98 CG PRO A 7 -3.638 7.817 11.828 1.00 0.75 C ATOM 99 CD PRO A 7 -4.352 8.820 12.694 1.00 0.82 C ATOM 0 HA PRO A 7 -6.402 8.525 10.120 1.00 0.54 H new ATOM 0 HB2 PRO A 7 -4.151 6.994 9.920 1.00 0.61 H new ATOM 0 HB3 PRO A 7 -3.960 8.736 9.922 1.00 0.61 H new ATOM 0 HG2 PRO A 7 -3.704 6.814 12.249 1.00 0.75 H new ATOM 0 HG3 PRO A 7 -2.578 8.056 11.738 1.00 0.75 H new ATOM 0 HD2 PRO A 7 -4.363 8.515 13.740 1.00 0.82 H new ATOM 0 HD3 PRO A 7 -3.877 9.800 12.653 1.00 0.82 H new ATOM 107 N THR A 8 -7.033 6.148 10.093 1.00 0.34 N ATOM 108 CA THR A 8 -7.606 4.818 10.161 1.00 0.27 C ATOM 109 C THR A 8 -6.519 3.794 9.913 1.00 0.28 C ATOM 110 O THR A 8 -5.348 4.156 9.794 1.00 0.35 O ATOM 111 CB THR A 8 -8.703 4.633 9.112 1.00 0.28 C ATOM 112 OG1 THR A 8 -8.106 4.544 7.817 1.00 0.36 O ATOM 113 CG2 THR A 8 -9.678 5.790 9.163 1.00 0.32 C ATOM 0 H THR A 8 -7.146 6.611 9.191 1.00 0.34 H new ATOM 0 HA THR A 8 -8.043 4.686 11.151 1.00 0.27 H new ATOM 0 HB THR A 8 -9.251 3.714 9.320 1.00 0.28 H new ATOM 0 HG1 THR A 8 -8.764 4.794 7.135 1.00 0.36 H new ATOM 0 HG21 THR A 8 -10.454 5.646 8.411 1.00 0.32 H new ATOM 0 HG22 THR A 8 -10.135 5.837 10.151 1.00 0.32 H new ATOM 0 HG23 THR A 8 -9.148 6.721 8.963 1.00 0.32 H new ATOM 121 N GLU A 9 -6.898 2.533 9.799 1.00 0.28 N ATOM 122 CA GLU A 9 -5.925 1.477 9.573 1.00 0.33 C ATOM 123 C GLU A 9 -5.162 1.712 8.266 1.00 0.36 C ATOM 124 O GLU A 9 -3.947 1.608 8.233 1.00 0.52 O ATOM 125 CB GLU A 9 -6.593 0.104 9.560 1.00 0.40 C ATOM 126 CG GLU A 9 -5.589 -1.034 9.513 1.00 0.56 C ATOM 127 CD GLU A 9 -4.808 -1.179 10.802 1.00 1.73 C ATOM 128 OE1 GLU A 9 -5.335 -1.788 11.761 1.00 2.47 O ATOM 129 OE2 GLU A 9 -3.658 -0.697 10.862 1.00 2.48 O ATOM 0 H GLU A 9 -7.866 2.216 9.859 1.00 0.28 H new ATOM 0 HA GLU A 9 -5.214 1.500 10.399 1.00 0.33 H new ATOM 0 HB2 GLU A 9 -7.215 -0.002 10.449 1.00 0.40 H new ATOM 0 HB3 GLU A 9 -7.256 0.035 8.697 1.00 0.40 H new ATOM 0 HG2 GLU A 9 -6.113 -1.967 9.304 1.00 0.56 H new ATOM 0 HG3 GLU A 9 -4.895 -0.867 8.689 1.00 0.56 H new ATOM 136 N THR A 10 -5.871 2.076 7.205 1.00 0.26 N ATOM 137 CA THR A 10 -5.244 2.310 5.908 1.00 0.27 C ATOM 138 C THR A 10 -4.457 3.604 5.928 1.00 0.27 C ATOM 139 O THR A 10 -3.346 3.661 5.423 1.00 0.31 O ATOM 140 CB THR A 10 -6.274 2.329 4.742 1.00 0.27 C ATOM 141 OG1 THR A 10 -5.864 3.242 3.721 1.00 0.40 O ATOM 142 CG2 THR A 10 -7.667 2.698 5.230 1.00 0.25 C ATOM 0 H THR A 10 -6.881 2.216 7.216 1.00 0.26 H new ATOM 0 HA THR A 10 -4.567 1.475 5.728 1.00 0.27 H new ATOM 0 HB THR A 10 -6.312 1.321 4.329 1.00 0.27 H new ATOM 0 HG1 THR A 10 -6.354 3.050 2.894 1.00 0.40 H new ATOM 0 HG21 THR A 10 -8.359 2.701 4.388 1.00 0.25 H new ATOM 0 HG22 THR A 10 -7.999 1.969 5.969 1.00 0.25 H new ATOM 0 HG23 THR A 10 -7.643 3.689 5.683 1.00 0.25 H new ATOM 150 N GLU A 11 -5.011 4.620 6.562 1.00 0.25 N ATOM 151 CA GLU A 11 -4.391 5.934 6.571 1.00 0.27 C ATOM 152 C GLU A 11 -3.062 5.905 7.301 1.00 0.30 C ATOM 153 O GLU A 11 -2.061 6.431 6.817 1.00 0.32 O ATOM 154 CB GLU A 11 -5.326 6.938 7.212 1.00 0.29 C ATOM 155 CG GLU A 11 -6.693 6.913 6.576 1.00 0.41 C ATOM 156 CD GLU A 11 -7.632 7.958 7.140 1.00 1.11 C ATOM 157 OE1 GLU A 11 -7.521 8.267 8.344 1.00 1.71 O ATOM 158 OE2 GLU A 11 -8.498 8.460 6.393 1.00 1.85 O ATOM 0 H GLU A 11 -5.889 4.562 7.078 1.00 0.25 H new ATOM 0 HA GLU A 11 -4.199 6.233 5.541 1.00 0.27 H new ATOM 0 HB2 GLU A 11 -5.416 6.723 8.277 1.00 0.29 H new ATOM 0 HB3 GLU A 11 -4.902 7.938 7.124 1.00 0.29 H new ATOM 0 HG2 GLU A 11 -6.590 7.068 5.502 1.00 0.41 H new ATOM 0 HG3 GLU A 11 -7.133 5.926 6.715 1.00 0.41 H new ATOM 165 N ARG A 12 -3.055 5.265 8.457 1.00 0.35 N ATOM 166 CA ARG A 12 -1.834 5.127 9.235 1.00 0.42 C ATOM 167 C ARG A 12 -0.844 4.267 8.473 1.00 0.43 C ATOM 168 O ARG A 12 0.355 4.513 8.485 1.00 0.47 O ATOM 169 CB ARG A 12 -2.127 4.520 10.618 1.00 0.48 C ATOM 170 CG ARG A 12 -2.722 3.119 10.590 1.00 0.49 C ATOM 171 CD ARG A 12 -1.642 2.053 10.503 1.00 0.56 C ATOM 172 NE ARG A 12 -0.809 2.052 11.699 1.00 1.08 N ATOM 173 CZ ARG A 12 -1.087 1.344 12.791 1.00 1.35 C ATOM 174 NH1 ARG A 12 -2.081 0.460 12.785 1.00 1.86 N ATOM 175 NH2 ARG A 12 -0.347 1.500 13.881 1.00 1.95 N ATOM 0 H ARG A 12 -3.878 4.833 8.878 1.00 0.35 H new ATOM 0 HA ARG A 12 -1.404 6.116 9.393 1.00 0.42 H new ATOM 0 HB2 ARG A 12 -1.200 4.494 11.191 1.00 0.48 H new ATOM 0 HB3 ARG A 12 -2.812 5.180 11.150 1.00 0.48 H new ATOM 0 HG2 ARG A 12 -3.320 2.959 11.487 1.00 0.49 H new ATOM 0 HG3 ARG A 12 -3.395 3.026 9.738 1.00 0.49 H new ATOM 0 HD2 ARG A 12 -2.103 1.073 10.376 1.00 0.56 H new ATOM 0 HD3 ARG A 12 -1.022 2.230 9.624 1.00 0.56 H new ATOM 0 HE ARG A 12 0.034 2.626 11.699 1.00 1.08 H new ATOM 0 HH11 ARG A 12 -2.635 0.322 11.940 1.00 1.86 H new ATOM 0 HH12 ARG A 12 -2.289 -0.079 13.625 1.00 1.86 H new ATOM 0 HH21 ARG A 12 0.431 2.160 13.879 1.00 1.95 H new ATOM 0 HH22 ARG A 12 -0.556 0.960 14.721 1.00 1.95 H new ATOM 189 N CYS A 13 -1.385 3.280 7.775 1.00 0.42 N ATOM 190 CA CYS A 13 -0.587 2.312 7.050 1.00 0.44 C ATOM 191 C CYS A 13 0.033 2.962 5.834 1.00 0.30 C ATOM 192 O CYS A 13 1.161 2.661 5.447 1.00 0.29 O ATOM 193 CB CYS A 13 -1.476 1.128 6.675 1.00 0.57 C ATOM 194 SG CYS A 13 -1.699 -0.047 8.023 1.00 2.16 S ATOM 0 H CYS A 13 -2.391 3.130 7.697 1.00 0.42 H new ATOM 0 HA CYS A 13 0.231 1.947 7.672 1.00 0.44 H new ATOM 0 HB2 CYS A 13 -2.451 1.499 6.360 1.00 0.57 H new ATOM 0 HB3 CYS A 13 -1.041 0.611 5.820 1.00 0.57 H new ATOM 0 HG CYS A 13 -2.830 0.187 8.620 1.00 2.16 H new ATOM 200 N ILE A 14 -0.711 3.885 5.270 1.00 0.26 N ATOM 201 CA ILE A 14 -0.243 4.698 4.178 1.00 0.24 C ATOM 202 C ILE A 14 0.965 5.534 4.594 1.00 0.21 C ATOM 203 O ILE A 14 1.979 5.580 3.894 1.00 0.23 O ATOM 204 CB ILE A 14 -1.376 5.623 3.699 1.00 0.24 C ATOM 205 CG1 ILE A 14 -2.379 4.856 2.838 1.00 0.25 C ATOM 206 CG2 ILE A 14 -0.818 6.811 2.948 1.00 0.27 C ATOM 207 CD1 ILE A 14 -3.636 5.645 2.575 1.00 0.27 C ATOM 0 H ILE A 14 -1.666 4.092 5.561 1.00 0.26 H new ATOM 0 HA ILE A 14 0.062 4.039 3.365 1.00 0.24 H new ATOM 0 HB ILE A 14 -1.903 5.995 4.578 1.00 0.24 H new ATOM 0 HG12 ILE A 14 -1.913 4.595 1.888 1.00 0.25 H new ATOM 0 HG13 ILE A 14 -2.638 3.921 3.334 1.00 0.25 H new ATOM 0 HG21 ILE A 14 -1.637 7.451 2.619 1.00 0.27 H new ATOM 0 HG22 ILE A 14 -0.156 7.377 3.603 1.00 0.27 H new ATOM 0 HG23 ILE A 14 -0.259 6.463 2.080 1.00 0.27 H new ATOM 0 HD11 ILE A 14 -4.314 5.054 1.959 1.00 0.27 H new ATOM 0 HD12 ILE A 14 -4.120 5.884 3.522 1.00 0.27 H new ATOM 0 HD13 ILE A 14 -3.384 6.568 2.054 1.00 0.27 H new ATOM 219 N GLU A 15 0.862 6.163 5.757 1.00 0.24 N ATOM 220 CA GLU A 15 1.907 7.044 6.245 1.00 0.28 C ATOM 221 C GLU A 15 3.062 6.221 6.741 1.00 0.30 C ATOM 222 O GLU A 15 4.191 6.687 6.822 1.00 0.34 O ATOM 223 CB GLU A 15 1.390 7.906 7.378 1.00 0.32 C ATOM 224 CG GLU A 15 0.152 8.706 7.008 1.00 0.33 C ATOM 225 CD GLU A 15 -0.340 9.581 8.140 1.00 0.38 C ATOM 226 OE1 GLU A 15 -1.051 9.074 9.032 1.00 1.06 O ATOM 227 OE2 GLU A 15 -0.013 10.786 8.149 1.00 1.26 O ATOM 0 H GLU A 15 0.060 6.077 6.381 1.00 0.24 H new ATOM 0 HA GLU A 15 2.229 7.689 5.428 1.00 0.28 H new ATOM 0 HB2 GLU A 15 1.161 7.271 8.234 1.00 0.32 H new ATOM 0 HB3 GLU A 15 2.177 8.592 7.692 1.00 0.32 H new ATOM 0 HG2 GLU A 15 0.374 9.330 6.142 1.00 0.33 H new ATOM 0 HG3 GLU A 15 -0.643 8.021 6.712 1.00 0.33 H new ATOM 234 N SER A 16 2.753 4.994 7.092 1.00 0.31 N ATOM 235 CA SER A 16 3.754 4.052 7.497 1.00 0.38 C ATOM 236 C SER A 16 4.631 3.664 6.315 1.00 0.29 C ATOM 237 O SER A 16 5.842 3.529 6.457 1.00 0.28 O ATOM 238 CB SER A 16 3.089 2.832 8.105 1.00 0.54 C ATOM 239 OG SER A 16 2.652 3.082 9.432 1.00 0.97 O ATOM 0 H SER A 16 1.801 4.628 7.103 1.00 0.31 H new ATOM 0 HA SER A 16 4.395 4.511 8.249 1.00 0.38 H new ATOM 0 HB2 SER A 16 2.238 2.537 7.491 1.00 0.54 H new ATOM 0 HB3 SER A 16 3.789 1.996 8.103 1.00 0.54 H new ATOM 0 HG SER A 16 1.819 3.598 9.410 1.00 0.97 H new ATOM 245 N LEU A 17 4.022 3.503 5.145 1.00 0.27 N ATOM 246 CA LEU A 17 4.785 3.270 3.922 1.00 0.28 C ATOM 247 C LEU A 17 5.674 4.469 3.668 1.00 0.27 C ATOM 248 O LEU A 17 6.843 4.330 3.331 1.00 0.32 O ATOM 249 CB LEU A 17 3.853 3.070 2.731 1.00 0.29 C ATOM 250 CG LEU A 17 2.717 2.088 2.974 1.00 0.33 C ATOM 251 CD1 LEU A 17 1.733 2.096 1.816 1.00 0.33 C ATOM 252 CD2 LEU A 17 3.259 0.685 3.208 1.00 0.46 C ATOM 0 H LEU A 17 3.010 3.529 5.017 1.00 0.27 H new ATOM 0 HA LEU A 17 5.385 2.368 4.044 1.00 0.28 H new ATOM 0 HB2 LEU A 17 3.429 4.035 2.452 1.00 0.29 H new ATOM 0 HB3 LEU A 17 4.440 2.723 1.881 1.00 0.29 H new ATOM 0 HG LEU A 17 2.185 2.404 3.871 1.00 0.33 H new ATOM 0 HD11 LEU A 17 0.931 1.385 2.015 1.00 0.33 H new ATOM 0 HD12 LEU A 17 1.313 3.095 1.703 1.00 0.33 H new ATOM 0 HD13 LEU A 17 2.249 1.813 0.898 1.00 0.33 H new ATOM 0 HD21 LEU A 17 2.430 -0.001 3.380 1.00 0.46 H new ATOM 0 HD22 LEU A 17 3.822 0.362 2.333 1.00 0.46 H new ATOM 0 HD23 LEU A 17 3.914 0.688 4.080 1.00 0.46 H new ATOM 264 N ILE A 18 5.092 5.649 3.857 1.00 0.27 N ATOM 265 CA ILE A 18 5.824 6.902 3.770 1.00 0.30 C ATOM 266 C ILE A 18 7.010 6.894 4.734 1.00 0.28 C ATOM 267 O ILE A 18 8.118 7.289 4.380 1.00 0.30 O ATOM 268 CB ILE A 18 4.901 8.107 4.091 1.00 0.36 C ATOM 269 CG1 ILE A 18 3.773 8.221 3.056 1.00 0.63 C ATOM 270 CG2 ILE A 18 5.706 9.394 4.162 1.00 0.47 C ATOM 271 CD1 ILE A 18 4.254 8.356 1.627 1.00 1.37 C ATOM 0 H ILE A 18 4.102 5.761 4.074 1.00 0.27 H new ATOM 0 HA ILE A 18 6.191 7.005 2.749 1.00 0.30 H new ATOM 0 HB ILE A 18 4.445 7.938 5.067 1.00 0.36 H new ATOM 0 HG12 ILE A 18 3.135 7.340 3.131 1.00 0.63 H new ATOM 0 HG13 ILE A 18 3.155 9.084 3.303 1.00 0.63 H new ATOM 0 HG21 ILE A 18 5.041 10.227 4.388 1.00 0.47 H new ATOM 0 HG22 ILE A 18 6.460 9.309 4.945 1.00 0.47 H new ATOM 0 HG23 ILE A 18 6.196 9.570 3.204 1.00 0.47 H new ATOM 0 HD11 ILE A 18 3.395 8.431 0.960 1.00 1.37 H new ATOM 0 HD12 ILE A 18 4.866 9.253 1.532 1.00 1.37 H new ATOM 0 HD13 ILE A 18 4.847 7.482 1.359 1.00 1.37 H new ATOM 283 N ALA A 19 6.763 6.411 5.941 1.00 0.25 N ATOM 284 CA ALA A 19 7.770 6.377 6.989 1.00 0.25 C ATOM 285 C ALA A 19 8.902 5.407 6.661 1.00 0.23 C ATOM 286 O ALA A 19 10.074 5.782 6.688 1.00 0.28 O ATOM 287 CB ALA A 19 7.119 6.010 8.313 1.00 0.28 C ATOM 0 H ALA A 19 5.859 6.032 6.222 1.00 0.25 H new ATOM 0 HA ALA A 19 8.212 7.371 7.065 1.00 0.25 H new ATOM 0 HB1 ALA A 19 7.876 5.985 9.096 1.00 0.28 H new ATOM 0 HB2 ALA A 19 6.361 6.752 8.564 1.00 0.28 H new ATOM 0 HB3 ALA A 19 6.652 5.029 8.229 1.00 0.28 H new ATOM 293 N VAL A 20 8.549 4.163 6.343 1.00 0.20 N ATOM 294 CA VAL A 20 9.546 3.142 6.047 1.00 0.22 C ATOM 295 C VAL A 20 10.297 3.497 4.778 1.00 0.23 C ATOM 296 O VAL A 20 11.523 3.330 4.691 1.00 0.27 O ATOM 297 CB VAL A 20 8.913 1.735 5.916 1.00 0.27 C ATOM 298 CG1 VAL A 20 7.973 1.502 7.062 1.00 0.87 C ATOM 299 CG2 VAL A 20 8.173 1.548 4.602 1.00 0.87 C ATOM 0 H VAL A 20 7.583 3.841 6.284 1.00 0.20 H new ATOM 0 HA VAL A 20 10.243 3.112 6.884 1.00 0.22 H new ATOM 0 HB VAL A 20 9.725 1.008 5.935 1.00 0.27 H new ATOM 0 HG11 VAL A 20 7.527 0.512 6.971 1.00 0.87 H new ATOM 0 HG12 VAL A 20 8.521 1.568 8.002 1.00 0.87 H new ATOM 0 HG13 VAL A 20 7.187 2.257 7.047 1.00 0.87 H new ATOM 0 HG21 VAL A 20 7.749 0.545 4.563 1.00 0.87 H new ATOM 0 HG22 VAL A 20 7.372 2.284 4.528 1.00 0.87 H new ATOM 0 HG23 VAL A 20 8.866 1.682 3.772 1.00 0.87 H new ATOM 309 N PHE A 21 9.563 4.010 3.802 1.00 0.23 N ATOM 310 CA PHE A 21 10.193 4.476 2.578 1.00 0.25 C ATOM 311 C PHE A 21 11.197 5.575 2.890 1.00 0.29 C ATOM 312 O PHE A 21 12.337 5.513 2.459 1.00 0.35 O ATOM 313 CB PHE A 21 9.168 4.990 1.563 1.00 0.26 C ATOM 314 CG PHE A 21 9.812 5.594 0.349 1.00 0.91 C ATOM 315 CD1 PHE A 21 10.207 4.793 -0.705 1.00 1.59 C ATOM 316 CD2 PHE A 21 10.043 6.957 0.273 1.00 1.85 C ATOM 317 CE1 PHE A 21 10.819 5.339 -1.813 1.00 2.17 C ATOM 318 CE2 PHE A 21 10.653 7.509 -0.835 1.00 2.48 C ATOM 319 CZ PHE A 21 11.042 6.698 -1.879 1.00 2.40 C ATOM 0 H PHE A 21 8.549 4.113 3.832 1.00 0.23 H new ATOM 0 HA PHE A 21 10.705 3.623 2.133 1.00 0.25 H new ATOM 0 HB2 PHE A 21 8.522 4.167 1.256 1.00 0.26 H new ATOM 0 HB3 PHE A 21 8.531 5.735 2.040 1.00 0.26 H new ATOM 0 HD1 PHE A 21 10.035 3.728 -0.660 1.00 1.59 H new ATOM 0 HD2 PHE A 21 9.742 7.596 1.090 1.00 1.85 H new ATOM 0 HE1 PHE A 21 11.124 4.702 -2.630 1.00 2.17 H new ATOM 0 HE2 PHE A 21 10.825 8.574 -0.884 1.00 2.48 H new ATOM 0 HZ PHE A 21 11.521 7.126 -2.747 1.00 2.40 H new ATOM 329 N GLN A 22 10.773 6.555 3.672 1.00 0.30 N ATOM 330 CA GLN A 22 11.575 7.740 3.926 1.00 0.37 C ATOM 331 C GLN A 22 12.842 7.391 4.691 1.00 0.36 C ATOM 332 O GLN A 22 13.897 7.952 4.434 1.00 0.44 O ATOM 333 CB GLN A 22 10.746 8.759 4.708 1.00 0.47 C ATOM 334 CG GLN A 22 11.107 10.211 4.440 1.00 1.12 C ATOM 335 CD GLN A 22 12.421 10.645 5.066 1.00 1.98 C ATOM 336 OE1 GLN A 22 13.477 10.597 4.433 1.00 2.68 O ATOM 337 NE2 GLN A 22 12.367 11.057 6.323 1.00 2.66 N ATOM 0 H GLN A 22 9.870 6.552 4.145 1.00 0.30 H new ATOM 0 HA GLN A 22 11.872 8.171 2.970 1.00 0.37 H new ATOM 0 HB2 GLN A 22 9.693 8.611 4.469 1.00 0.47 H new ATOM 0 HB3 GLN A 22 10.862 8.561 5.773 1.00 0.47 H new ATOM 0 HG2 GLN A 22 11.160 10.369 3.363 1.00 1.12 H new ATOM 0 HG3 GLN A 22 10.308 10.849 4.817 1.00 1.12 H new ATOM 0 HE21 GLN A 22 11.473 11.082 6.813 1.00 2.66 H new ATOM 0 HE22 GLN A 22 13.219 11.349 6.801 1.00 2.66 H new ATOM 346 N LYS A 23 12.755 6.452 5.616 1.00 0.35 N ATOM 347 CA LYS A 23 13.904 6.142 6.443 1.00 0.39 C ATOM 348 C LYS A 23 15.009 5.461 5.631 1.00 0.40 C ATOM 349 O LYS A 23 16.194 5.710 5.861 1.00 0.49 O ATOM 350 CB LYS A 23 13.500 5.297 7.651 1.00 0.41 C ATOM 351 CG LYS A 23 12.893 3.968 7.305 1.00 0.42 C ATOM 352 CD LYS A 23 12.250 3.356 8.523 1.00 0.63 C ATOM 353 CE LYS A 23 12.249 1.854 8.422 1.00 0.63 C ATOM 354 NZ LYS A 23 11.634 1.205 9.608 1.00 0.91 N ATOM 0 H LYS A 23 11.919 5.902 5.810 1.00 0.35 H new ATOM 0 HA LYS A 23 14.307 7.083 6.816 1.00 0.39 H new ATOM 0 HB2 LYS A 23 14.380 5.130 8.272 1.00 0.41 H new ATOM 0 HB3 LYS A 23 12.788 5.862 8.252 1.00 0.41 H new ATOM 0 HG2 LYS A 23 12.150 4.093 6.517 1.00 0.42 H new ATOM 0 HG3 LYS A 23 13.661 3.300 6.916 1.00 0.42 H new ATOM 0 HD2 LYS A 23 12.788 3.665 9.419 1.00 0.63 H new ATOM 0 HD3 LYS A 23 11.227 3.720 8.623 1.00 0.63 H new ATOM 0 HE2 LYS A 23 11.707 1.554 7.525 1.00 0.63 H new ATOM 0 HE3 LYS A 23 13.274 1.500 8.308 1.00 0.63 H new ATOM 0 HZ1 LYS A 23 11.627 0.174 9.475 1.00 0.91 H new ATOM 0 HZ2 LYS A 23 12.186 1.441 10.458 1.00 0.91 H new ATOM 0 HZ3 LYS A 23 10.658 1.546 9.723 1.00 0.91 H new ATOM 368 N TYR A 24 14.633 4.616 4.677 1.00 0.36 N ATOM 369 CA TYR A 24 15.626 3.961 3.828 1.00 0.39 C ATOM 370 C TYR A 24 15.992 4.808 2.613 1.00 0.34 C ATOM 371 O TYR A 24 17.159 4.916 2.253 1.00 0.40 O ATOM 372 CB TYR A 24 15.147 2.583 3.399 1.00 0.46 C ATOM 373 CG TYR A 24 15.477 1.507 4.408 1.00 0.86 C ATOM 374 CD1 TYR A 24 14.644 1.251 5.489 1.00 1.67 C ATOM 375 CD2 TYR A 24 16.635 0.751 4.280 1.00 1.52 C ATOM 376 CE1 TYR A 24 14.958 0.273 6.414 1.00 1.99 C ATOM 377 CE2 TYR A 24 16.954 -0.228 5.199 1.00 1.83 C ATOM 378 CZ TYR A 24 16.113 -0.464 6.263 1.00 1.72 C ATOM 379 OH TYR A 24 16.432 -1.438 7.180 1.00 2.15 O ATOM 0 H TYR A 24 13.664 4.370 4.473 1.00 0.36 H new ATOM 0 HA TYR A 24 16.531 3.844 4.425 1.00 0.39 H new ATOM 0 HB2 TYR A 24 14.068 2.610 3.244 1.00 0.46 H new ATOM 0 HB3 TYR A 24 15.600 2.328 2.441 1.00 0.46 H new ATOM 0 HD1 TYR A 24 13.737 1.825 5.609 1.00 1.67 H new ATOM 0 HD2 TYR A 24 17.298 0.932 3.447 1.00 1.52 H new ATOM 0 HE1 TYR A 24 14.301 0.087 7.251 1.00 1.99 H new ATOM 0 HE2 TYR A 24 17.859 -0.806 5.084 1.00 1.83 H new ATOM 0 HH TYR A 24 16.106 -2.306 6.862 1.00 2.15 H new ATOM 389 N ALA A 25 14.997 5.413 1.987 1.00 0.29 N ATOM 390 CA ALA A 25 15.227 6.276 0.834 1.00 0.34 C ATOM 391 C ALA A 25 15.903 7.566 1.264 1.00 0.47 C ATOM 392 O ALA A 25 16.524 8.262 0.461 1.00 0.58 O ATOM 393 CB ALA A 25 13.915 6.580 0.136 1.00 0.37 C ATOM 0 H ALA A 25 14.017 5.324 2.257 1.00 0.29 H new ATOM 0 HA ALA A 25 15.883 5.755 0.137 1.00 0.34 H new ATOM 0 HB1 ALA A 25 14.101 7.225 -0.723 1.00 0.37 H new ATOM 0 HB2 ALA A 25 13.458 5.650 -0.201 1.00 0.37 H new ATOM 0 HB3 ALA A 25 13.242 7.084 0.830 1.00 0.37 H new ATOM 399 N GLY A 26 15.770 7.874 2.544 1.00 0.49 N ATOM 400 CA GLY A 26 16.405 9.046 3.104 1.00 0.64 C ATOM 401 C GLY A 26 17.912 8.919 3.125 1.00 0.75 C ATOM 402 O GLY A 26 18.627 9.916 3.235 1.00 0.96 O ATOM 0 H GLY A 26 15.227 7.326 3.211 1.00 0.49 H new ATOM 0 HA2 GLY A 26 16.123 9.924 2.522 1.00 0.64 H new ATOM 0 HA3 GLY A 26 16.041 9.206 4.119 1.00 0.64 H new ATOM 503 N THR A 33 14.669 8.873 -3.177 1.00 0.67 N ATOM 504 CA THR A 33 14.451 7.604 -3.854 1.00 0.46 C ATOM 505 C THR A 33 15.249 6.514 -3.161 1.00 0.38 C ATOM 506 O THR A 33 16.342 6.752 -2.650 1.00 0.44 O ATOM 507 CB THR A 33 14.855 7.701 -5.342 1.00 0.45 C ATOM 508 OG1 THR A 33 14.744 9.055 -5.794 1.00 0.66 O ATOM 509 CG2 THR A 33 13.958 6.834 -6.202 1.00 0.43 C ATOM 0 HA THR A 33 13.390 7.358 -3.807 1.00 0.46 H new ATOM 0 HB THR A 33 15.886 7.357 -5.430 1.00 0.45 H new ATOM 0 HG1 THR A 33 14.724 9.657 -5.021 1.00 0.66 H new ATOM 0 HG21 THR A 33 14.262 6.919 -7.245 1.00 0.43 H new ATOM 0 HG22 THR A 33 14.042 5.795 -5.883 1.00 0.43 H new ATOM 0 HG23 THR A 33 12.924 7.164 -6.097 1.00 0.43 H new ATOM 517 N LEU A 34 14.682 5.330 -3.135 1.00 0.32 N ATOM 518 CA LEU A 34 15.291 4.194 -2.480 1.00 0.30 C ATOM 519 C LEU A 34 16.259 3.528 -3.435 1.00 0.31 C ATOM 520 O LEU A 34 15.857 2.867 -4.387 1.00 0.34 O ATOM 521 CB LEU A 34 14.174 3.239 -2.050 1.00 0.30 C ATOM 522 CG LEU A 34 14.096 2.931 -0.557 1.00 0.29 C ATOM 523 CD1 LEU A 34 12.761 2.293 -0.209 1.00 0.45 C ATOM 524 CD2 LEU A 34 15.225 2.016 -0.143 1.00 0.28 C ATOM 0 H LEU A 34 13.782 5.126 -3.569 1.00 0.32 H new ATOM 0 HA LEU A 34 15.853 4.499 -1.597 1.00 0.30 H new ATOM 0 HB2 LEU A 34 13.220 3.662 -2.364 1.00 0.30 H new ATOM 0 HB3 LEU A 34 14.299 2.300 -2.589 1.00 0.30 H new ATOM 0 HG LEU A 34 14.187 3.872 -0.014 1.00 0.29 H new ATOM 0 HD11 LEU A 34 12.726 2.082 0.860 1.00 0.45 H new ATOM 0 HD12 LEU A 34 11.952 2.976 -0.470 1.00 0.45 H new ATOM 0 HD13 LEU A 34 12.646 1.364 -0.767 1.00 0.45 H new ATOM 0 HD21 LEU A 34 15.152 1.808 0.925 1.00 0.28 H new ATOM 0 HD22 LEU A 34 15.159 1.081 -0.700 1.00 0.28 H new ATOM 0 HD23 LEU A 34 16.180 2.497 -0.354 1.00 0.28 H new ATOM 536 N SER A 35 17.542 3.754 -3.185 1.00 0.32 N ATOM 537 CA SER A 35 18.594 3.302 -4.078 1.00 0.33 C ATOM 538 C SER A 35 18.703 1.781 -4.072 1.00 0.32 C ATOM 539 O SER A 35 18.128 1.123 -3.204 1.00 0.30 O ATOM 540 CB SER A 35 19.922 3.958 -3.694 1.00 0.37 C ATOM 541 OG SER A 35 20.942 3.647 -4.627 1.00 0.40 O ATOM 0 H SER A 35 17.879 4.253 -2.362 1.00 0.32 H new ATOM 0 HA SER A 35 18.343 3.603 -5.095 1.00 0.33 H new ATOM 0 HB2 SER A 35 19.793 5.039 -3.640 1.00 0.37 H new ATOM 0 HB3 SER A 35 20.221 3.623 -2.701 1.00 0.37 H new ATOM 0 HG SER A 35 21.777 4.082 -4.355 1.00 0.40 H new ATOM 547 N LYS A 36 19.453 1.240 -5.035 1.00 0.38 N ATOM 548 CA LYS A 36 19.501 -0.200 -5.278 1.00 0.42 C ATOM 549 C LYS A 36 19.725 -0.972 -3.991 1.00 0.36 C ATOM 550 O LYS A 36 18.849 -1.702 -3.535 1.00 0.35 O ATOM 551 CB LYS A 36 20.611 -0.532 -6.283 1.00 0.53 C ATOM 552 CG LYS A 36 20.745 -2.019 -6.587 1.00 0.62 C ATOM 553 CD LYS A 36 19.475 -2.574 -7.204 1.00 0.66 C ATOM 554 CE LYS A 36 19.598 -4.052 -7.546 1.00 0.61 C ATOM 555 NZ LYS A 36 20.578 -4.301 -8.637 1.00 0.65 N ATOM 0 H LYS A 36 20.041 1.787 -5.664 1.00 0.38 H new ATOM 0 HA LYS A 36 18.538 -0.499 -5.691 1.00 0.42 H new ATOM 0 HB2 LYS A 36 20.417 0.003 -7.213 1.00 0.53 H new ATOM 0 HB3 LYS A 36 21.561 -0.164 -5.895 1.00 0.53 H new ATOM 0 HG2 LYS A 36 21.582 -2.179 -7.267 1.00 0.62 H new ATOM 0 HG3 LYS A 36 20.972 -2.561 -5.669 1.00 0.62 H new ATOM 0 HD2 LYS A 36 18.645 -2.431 -6.512 1.00 0.66 H new ATOM 0 HD3 LYS A 36 19.237 -2.013 -8.108 1.00 0.66 H new ATOM 0 HE2 LYS A 36 19.901 -4.604 -6.656 1.00 0.61 H new ATOM 0 HE3 LYS A 36 18.622 -4.436 -7.843 1.00 0.61 H new ATOM 0 HZ1 LYS A 36 20.393 -5.231 -9.065 1.00 0.65 H new ATOM 0 HZ2 LYS A 36 20.485 -3.562 -9.362 1.00 0.65 H new ATOM 0 HZ3 LYS A 36 21.542 -4.285 -8.248 1.00 0.65 H new ATOM 569 N THR A 37 20.869 -0.754 -3.380 1.00 0.37 N ATOM 570 CA THR A 37 21.250 -1.470 -2.181 1.00 0.38 C ATOM 571 C THR A 37 20.366 -1.081 -1.000 1.00 0.36 C ATOM 572 O THR A 37 20.211 -1.839 -0.037 1.00 0.38 O ATOM 573 CB THR A 37 22.711 -1.165 -1.845 1.00 0.44 C ATOM 574 OG1 THR A 37 23.532 -1.423 -2.994 1.00 0.48 O ATOM 575 CG2 THR A 37 23.187 -2.008 -0.673 1.00 0.49 C ATOM 0 H THR A 37 21.561 -0.076 -3.700 1.00 0.37 H new ATOM 0 HA THR A 37 21.124 -2.537 -2.367 1.00 0.38 H new ATOM 0 HB THR A 37 22.790 -0.115 -1.565 1.00 0.44 H new ATOM 0 HG1 THR A 37 24.467 -1.226 -2.779 1.00 0.48 H new ATOM 0 HG21 THR A 37 24.228 -1.772 -0.454 1.00 0.49 H new ATOM 0 HG22 THR A 37 22.575 -1.793 0.203 1.00 0.49 H new ATOM 0 HG23 THR A 37 23.100 -3.065 -0.926 1.00 0.49 H new ATOM 583 N GLU A 38 19.758 0.087 -1.098 1.00 0.34 N ATOM 584 CA GLU A 38 18.972 0.624 -0.007 1.00 0.34 C ATOM 585 C GLU A 38 17.640 -0.101 0.091 1.00 0.34 C ATOM 586 O GLU A 38 17.127 -0.303 1.189 1.00 0.48 O ATOM 587 CB GLU A 38 18.778 2.126 -0.182 1.00 0.35 C ATOM 588 CG GLU A 38 20.088 2.875 -0.393 1.00 0.47 C ATOM 589 CD GLU A 38 21.048 2.764 0.777 1.00 1.27 C ATOM 590 OE1 GLU A 38 21.397 1.632 1.171 1.00 2.16 O ATOM 591 OE2 GLU A 38 21.497 3.813 1.279 1.00 1.96 O ATOM 0 H GLU A 38 19.795 0.682 -1.926 1.00 0.34 H new ATOM 0 HA GLU A 38 19.508 0.464 0.928 1.00 0.34 H new ATOM 0 HB2 GLU A 38 18.122 2.305 -1.034 1.00 0.35 H new ATOM 0 HB3 GLU A 38 18.274 2.527 0.698 1.00 0.35 H new ATOM 0 HG2 GLU A 38 20.575 2.492 -1.289 1.00 0.47 H new ATOM 0 HG3 GLU A 38 19.870 3.927 -0.574 1.00 0.47 H new ATOM 598 N PHE A 39 17.073 -0.518 -1.046 1.00 0.29 N ATOM 599 CA PHE A 39 15.855 -1.307 -0.980 1.00 0.31 C ATOM 600 C PHE A 39 16.200 -2.759 -0.800 1.00 0.28 C ATOM 601 O PHE A 39 15.406 -3.521 -0.280 1.00 0.27 O ATOM 602 CB PHE A 39 14.900 -1.126 -2.171 1.00 0.53 C ATOM 603 CG PHE A 39 15.477 -1.294 -3.542 1.00 0.81 C ATOM 604 CD1 PHE A 39 15.719 -2.554 -4.055 1.00 1.76 C ATOM 605 CD2 PHE A 39 15.733 -0.191 -4.333 1.00 1.78 C ATOM 606 CE1 PHE A 39 16.220 -2.710 -5.329 1.00 2.62 C ATOM 607 CE2 PHE A 39 16.229 -0.339 -5.610 1.00 2.66 C ATOM 608 CZ PHE A 39 16.474 -1.600 -6.106 1.00 2.88 C ATOM 0 H PHE A 39 17.426 -0.329 -1.984 1.00 0.29 H new ATOM 0 HA PHE A 39 15.305 -0.931 -0.117 1.00 0.31 H new ATOM 0 HB2 PHE A 39 14.082 -1.838 -2.059 1.00 0.53 H new ATOM 0 HB3 PHE A 39 14.466 -0.128 -2.107 1.00 0.53 H new ATOM 0 HD1 PHE A 39 15.513 -3.425 -3.451 1.00 1.76 H new ATOM 0 HD2 PHE A 39 15.542 0.799 -3.946 1.00 1.78 H new ATOM 0 HE1 PHE A 39 16.413 -3.699 -5.718 1.00 2.62 H new ATOM 0 HE2 PHE A 39 16.425 0.531 -6.220 1.00 2.66 H new ATOM 0 HZ PHE A 39 16.866 -1.720 -7.105 1.00 2.88 H new ATOM 618 N LEU A 40 17.388 -3.135 -1.228 1.00 0.33 N ATOM 619 CA LEU A 40 17.878 -4.472 -0.979 1.00 0.37 C ATOM 620 C LEU A 40 17.920 -4.742 0.518 1.00 0.40 C ATOM 621 O LEU A 40 17.397 -5.747 1.002 1.00 0.43 O ATOM 622 CB LEU A 40 19.275 -4.641 -1.554 1.00 0.43 C ATOM 623 CG LEU A 40 19.414 -4.414 -3.059 1.00 0.50 C ATOM 624 CD1 LEU A 40 20.703 -5.020 -3.575 1.00 1.07 C ATOM 625 CD2 LEU A 40 18.217 -4.967 -3.802 1.00 0.46 C ATOM 0 H LEU A 40 18.029 -2.535 -1.748 1.00 0.33 H new ATOM 0 HA LEU A 40 17.203 -5.179 -1.461 1.00 0.37 H new ATOM 0 HB2 LEU A 40 19.944 -3.951 -1.040 1.00 0.43 H new ATOM 0 HB3 LEU A 40 19.620 -5.649 -1.326 1.00 0.43 H new ATOM 0 HG LEU A 40 19.450 -3.340 -3.239 1.00 0.50 H new ATOM 0 HD11 LEU A 40 20.782 -4.847 -4.648 1.00 1.07 H new ATOM 0 HD12 LEU A 40 21.551 -4.557 -3.069 1.00 1.07 H new ATOM 0 HD13 LEU A 40 20.705 -6.092 -3.379 1.00 1.07 H new ATOM 0 HD21 LEU A 40 18.340 -4.793 -4.871 1.00 0.46 H new ATOM 0 HD22 LEU A 40 18.136 -6.038 -3.616 1.00 0.46 H new ATOM 0 HD23 LEU A 40 17.312 -4.469 -3.455 1.00 0.46 H new ATOM 637 N SER A 41 18.547 -3.828 1.243 1.00 0.42 N ATOM 638 CA SER A 41 18.615 -3.914 2.690 1.00 0.52 C ATOM 639 C SER A 41 17.219 -3.780 3.291 1.00 0.45 C ATOM 640 O SER A 41 16.830 -4.592 4.127 1.00 0.47 O ATOM 641 CB SER A 41 19.561 -2.845 3.239 1.00 0.67 C ATOM 642 OG SER A 41 19.369 -1.605 2.579 1.00 1.40 O ATOM 0 H SER A 41 19.018 -3.014 0.848 1.00 0.42 H new ATOM 0 HA SER A 41 19.011 -4.890 2.972 1.00 0.52 H new ATOM 0 HB2 SER A 41 19.393 -2.721 4.309 1.00 0.67 H new ATOM 0 HB3 SER A 41 20.594 -3.171 3.115 1.00 0.67 H new ATOM 0 HG SER A 41 19.796 -1.634 1.697 1.00 1.40 H new ATOM 648 N PHE A 42 16.476 -2.766 2.835 1.00 0.42 N ATOM 649 CA PHE A 42 15.072 -2.577 3.212 1.00 0.46 C ATOM 650 C PHE A 42 14.299 -3.874 3.087 1.00 0.29 C ATOM 651 O PHE A 42 13.717 -4.358 4.041 1.00 0.43 O ATOM 652 CB PHE A 42 14.417 -1.545 2.297 1.00 0.80 C ATOM 653 CG PHE A 42 12.970 -1.300 2.621 1.00 1.89 C ATOM 654 CD1 PHE A 42 11.971 -2.065 2.038 1.00 2.77 C ATOM 655 CD2 PHE A 42 12.612 -0.318 3.523 1.00 2.69 C ATOM 656 CE1 PHE A 42 10.647 -1.853 2.355 1.00 3.80 C ATOM 657 CE2 PHE A 42 11.290 -0.098 3.841 1.00 3.73 C ATOM 658 CZ PHE A 42 10.305 -0.868 3.257 1.00 4.13 C ATOM 0 H PHE A 42 16.830 -2.055 2.196 1.00 0.42 H new ATOM 0 HA PHE A 42 15.052 -2.236 4.247 1.00 0.46 H new ATOM 0 HB2 PHE A 42 14.963 -0.605 2.371 1.00 0.80 H new ATOM 0 HB3 PHE A 42 14.499 -1.881 1.263 1.00 0.80 H new ATOM 0 HD1 PHE A 42 12.234 -2.835 1.328 1.00 2.77 H new ATOM 0 HD2 PHE A 42 13.379 0.286 3.985 1.00 2.69 H new ATOM 0 HE1 PHE A 42 9.878 -2.458 1.897 1.00 3.80 H new ATOM 0 HE2 PHE A 42 11.025 0.676 4.546 1.00 3.73 H new ATOM 0 HZ PHE A 42 9.268 -0.699 3.506 1.00 4.13 H new ATOM 668 N MET A 43 14.292 -4.417 1.895 1.00 0.26 N ATOM 669 CA MET A 43 13.535 -5.621 1.607 1.00 0.29 C ATOM 670 C MET A 43 13.987 -6.805 2.455 1.00 0.29 C ATOM 671 O MET A 43 13.202 -7.691 2.744 1.00 0.37 O ATOM 672 CB MET A 43 13.653 -5.970 0.134 1.00 0.39 C ATOM 673 CG MET A 43 12.874 -5.031 -0.781 1.00 0.62 C ATOM 674 SD MET A 43 13.230 -5.283 -2.531 1.00 1.22 S ATOM 675 CE MET A 43 12.225 -3.999 -3.270 1.00 2.26 C ATOM 0 H MET A 43 14.806 -4.043 1.097 1.00 0.26 H new ATOM 0 HA MET A 43 12.494 -5.416 1.857 1.00 0.29 H new ATOM 0 HB2 MET A 43 14.705 -5.952 -0.152 1.00 0.39 H new ATOM 0 HB3 MET A 43 13.298 -6.989 -0.019 1.00 0.39 H new ATOM 0 HG2 MET A 43 11.807 -5.171 -0.611 1.00 0.62 H new ATOM 0 HG3 MET A 43 13.106 -4.000 -0.515 1.00 0.62 H new ATOM 0 HE1 MET A 43 11.451 -4.453 -3.889 1.00 2.26 H new ATOM 0 HE2 MET A 43 11.759 -3.404 -2.484 1.00 2.26 H new ATOM 0 HE3 MET A 43 12.852 -3.356 -3.888 1.00 2.26 H new ATOM 685 N ASN A 44 15.241 -6.834 2.855 1.00 0.29 N ATOM 686 CA ASN A 44 15.737 -7.957 3.642 1.00 0.33 C ATOM 687 C ASN A 44 15.546 -7.725 5.139 1.00 0.32 C ATOM 688 O ASN A 44 15.672 -8.649 5.939 1.00 0.39 O ATOM 689 CB ASN A 44 17.199 -8.215 3.308 1.00 0.42 C ATOM 690 CG ASN A 44 17.779 -9.432 4.011 1.00 1.05 C ATOM 691 OD1 ASN A 44 17.615 -10.564 3.554 1.00 1.54 O ATOM 692 ND2 ASN A 44 18.490 -9.204 5.106 1.00 1.83 N ATOM 0 H ASN A 44 15.930 -6.109 2.656 1.00 0.29 H new ATOM 0 HA ASN A 44 15.155 -8.841 3.382 1.00 0.33 H new ATOM 0 HB2 ASN A 44 17.299 -8.346 2.231 1.00 0.42 H new ATOM 0 HB3 ASN A 44 17.785 -7.336 3.578 1.00 0.42 H new ATOM 0 HD21 ASN A 44 18.925 -9.981 5.603 1.00 1.83 H new ATOM 0 HD22 ASN A 44 18.602 -8.251 5.452 1.00 1.83 H new ATOM 699 N THR A 45 15.235 -6.496 5.519 1.00 0.26 N ATOM 700 CA THR A 45 14.956 -6.189 6.920 1.00 0.29 C ATOM 701 C THR A 45 13.468 -6.007 7.145 1.00 0.28 C ATOM 702 O THR A 45 12.824 -6.765 7.876 1.00 0.34 O ATOM 703 CB THR A 45 15.672 -4.904 7.377 1.00 0.29 C ATOM 704 OG1 THR A 45 15.485 -3.866 6.406 1.00 0.34 O ATOM 705 CG2 THR A 45 17.154 -5.149 7.588 1.00 0.34 C ATOM 0 H THR A 45 15.169 -5.699 4.886 1.00 0.26 H new ATOM 0 HA THR A 45 15.326 -7.033 7.503 1.00 0.29 H new ATOM 0 HB THR A 45 15.237 -4.595 8.328 1.00 0.29 H new ATOM 0 HG1 THR A 45 16.010 -4.070 5.604 1.00 0.34 H new ATOM 0 HG21 THR A 45 17.633 -4.225 7.910 1.00 0.34 H new ATOM 0 HG22 THR A 45 17.291 -5.914 8.352 1.00 0.34 H new ATOM 0 HG23 THR A 45 17.604 -5.484 6.654 1.00 0.34 H new ATOM 713 N GLU A 46 12.939 -5.008 6.472 1.00 0.23 N ATOM 714 CA GLU A 46 11.561 -4.607 6.605 1.00 0.25 C ATOM 715 C GLU A 46 10.644 -5.512 5.788 1.00 0.25 C ATOM 716 O GLU A 46 9.431 -5.428 5.897 1.00 0.34 O ATOM 717 CB GLU A 46 11.402 -3.159 6.153 1.00 0.29 C ATOM 718 CG GLU A 46 12.317 -2.186 6.879 1.00 0.58 C ATOM 719 CD GLU A 46 12.002 -2.076 8.356 1.00 1.17 C ATOM 720 OE1 GLU A 46 11.143 -1.248 8.721 1.00 1.70 O ATOM 721 OE2 GLU A 46 12.620 -2.803 9.165 1.00 1.68 O ATOM 0 H GLU A 46 13.467 -4.444 5.806 1.00 0.23 H new ATOM 0 HA GLU A 46 11.277 -4.695 7.653 1.00 0.25 H new ATOM 0 HB2 GLU A 46 11.599 -3.099 5.083 1.00 0.29 H new ATOM 0 HB3 GLU A 46 10.367 -2.852 6.305 1.00 0.29 H new ATOM 0 HG2 GLU A 46 13.352 -2.506 6.756 1.00 0.58 H new ATOM 0 HG3 GLU A 46 12.231 -1.201 6.419 1.00 0.58 H new ATOM 728 N LEU A 47 11.221 -6.351 4.942 1.00 0.25 N ATOM 729 CA LEU A 47 10.429 -7.315 4.188 1.00 0.26 C ATOM 730 C LEU A 47 11.047 -8.696 4.251 1.00 0.28 C ATOM 731 O LEU A 47 10.792 -9.541 3.394 1.00 0.30 O ATOM 732 CB LEU A 47 10.292 -6.879 2.740 1.00 0.26 C ATOM 733 CG LEU A 47 9.532 -5.579 2.543 1.00 0.27 C ATOM 734 CD1 LEU A 47 9.612 -5.144 1.096 1.00 0.32 C ATOM 735 CD2 LEU A 47 8.089 -5.753 2.990 1.00 0.27 C ATOM 0 H LEU A 47 12.224 -6.386 4.760 1.00 0.25 H new ATOM 0 HA LEU A 47 9.439 -7.357 4.642 1.00 0.26 H new ATOM 0 HB2 LEU A 47 11.288 -6.772 2.310 1.00 0.26 H new ATOM 0 HB3 LEU A 47 9.788 -7.668 2.182 1.00 0.26 H new ATOM 0 HG LEU A 47 9.985 -4.797 3.153 1.00 0.27 H new ATOM 0 HD11 LEU A 47 9.064 -4.211 0.966 1.00 0.32 H new ATOM 0 HD12 LEU A 47 10.655 -4.994 0.818 1.00 0.32 H new ATOM 0 HD13 LEU A 47 9.175 -5.914 0.460 1.00 0.32 H new ATOM 0 HD21 LEU A 47 7.548 -4.817 2.847 1.00 0.27 H new ATOM 0 HD22 LEU A 47 7.618 -6.539 2.400 1.00 0.27 H new ATOM 0 HD23 LEU A 47 8.065 -6.028 4.045 1.00 0.27 H new ATOM 747 N ALA A 48 11.897 -8.896 5.247 1.00 0.32 N ATOM 748 CA ALA A 48 12.490 -10.194 5.522 1.00 0.36 C ATOM 749 C ALA A 48 11.454 -11.318 5.525 1.00 0.39 C ATOM 750 O ALA A 48 11.782 -12.459 5.198 1.00 0.44 O ATOM 751 CB ALA A 48 13.216 -10.141 6.850 1.00 0.41 C ATOM 0 H ALA A 48 12.195 -8.161 5.888 1.00 0.32 H new ATOM 0 HA ALA A 48 13.194 -10.418 4.721 1.00 0.36 H new ATOM 0 HB1 ALA A 48 13.662 -11.113 7.060 1.00 0.41 H new ATOM 0 HB2 ALA A 48 13.999 -9.384 6.807 1.00 0.41 H new ATOM 0 HB3 ALA A 48 12.510 -9.888 7.641 1.00 0.41 H new ATOM 757 N ALA A 49 10.212 -10.992 5.883 1.00 0.38 N ATOM 758 CA ALA A 49 9.123 -11.962 5.845 1.00 0.41 C ATOM 759 C ALA A 49 8.980 -12.544 4.449 1.00 0.41 C ATOM 760 O ALA A 49 8.808 -13.749 4.274 1.00 0.47 O ATOM 761 CB ALA A 49 7.817 -11.308 6.263 1.00 0.44 C ATOM 0 H ALA A 49 9.937 -10.063 6.202 1.00 0.38 H new ATOM 0 HA ALA A 49 9.357 -12.766 6.542 1.00 0.41 H new ATOM 0 HB1 ALA A 49 7.014 -12.045 6.229 1.00 0.44 H new ATOM 0 HB2 ALA A 49 7.912 -10.921 7.278 1.00 0.44 H new ATOM 0 HB3 ALA A 49 7.586 -10.489 5.582 1.00 0.44 H new ATOM 767 N PHE A 50 9.057 -11.669 3.466 1.00 0.36 N ATOM 768 CA PHE A 50 8.931 -12.054 2.075 1.00 0.37 C ATOM 769 C PHE A 50 10.277 -12.500 1.516 1.00 0.38 C ATOM 770 O PHE A 50 10.415 -13.603 0.987 1.00 0.44 O ATOM 771 CB PHE A 50 8.409 -10.866 1.269 1.00 0.35 C ATOM 772 CG PHE A 50 8.152 -11.181 -0.177 1.00 0.70 C ATOM 773 CD1 PHE A 50 6.930 -11.691 -0.584 1.00 1.32 C ATOM 774 CD2 PHE A 50 9.138 -10.976 -1.131 1.00 1.63 C ATOM 775 CE1 PHE A 50 6.695 -11.988 -1.912 1.00 1.66 C ATOM 776 CE2 PHE A 50 8.908 -11.271 -2.459 1.00 2.09 C ATOM 777 CZ PHE A 50 7.686 -11.778 -2.850 1.00 1.80 C ATOM 0 H PHE A 50 9.209 -10.671 3.610 1.00 0.36 H new ATOM 0 HA PHE A 50 8.233 -12.888 2.002 1.00 0.37 H new ATOM 0 HB2 PHE A 50 7.485 -10.509 1.723 1.00 0.35 H new ATOM 0 HB3 PHE A 50 9.131 -10.051 1.331 1.00 0.35 H new ATOM 0 HD1 PHE A 50 6.152 -11.858 0.146 1.00 1.32 H new ATOM 0 HD2 PHE A 50 10.097 -10.581 -0.831 1.00 1.63 H new ATOM 0 HE1 PHE A 50 5.737 -12.384 -2.216 1.00 1.66 H new ATOM 0 HE2 PHE A 50 9.684 -11.105 -3.192 1.00 2.09 H new ATOM 0 HZ PHE A 50 7.505 -12.010 -3.889 1.00 1.80 H new ATOM 787 N THR A 51 11.266 -11.633 1.669 1.00 0.36 N ATOM 788 CA THR A 51 12.570 -11.804 1.049 1.00 0.40 C ATOM 789 C THR A 51 13.255 -13.094 1.473 1.00 0.45 C ATOM 790 O THR A 51 13.698 -13.873 0.631 1.00 0.54 O ATOM 791 CB THR A 51 13.468 -10.608 1.395 1.00 0.39 C ATOM 792 OG1 THR A 51 12.922 -9.421 0.813 1.00 0.39 O ATOM 793 CG2 THR A 51 14.895 -10.812 0.912 1.00 0.49 C ATOM 0 H THR A 51 11.185 -10.785 2.231 1.00 0.36 H new ATOM 0 HA THR A 51 12.410 -11.860 -0.028 1.00 0.40 H new ATOM 0 HB THR A 51 13.500 -10.513 2.480 1.00 0.39 H new ATOM 0 HG1 THR A 51 12.632 -8.812 1.524 1.00 0.39 H new ATOM 0 HG21 THR A 51 15.497 -9.943 1.177 1.00 0.49 H new ATOM 0 HG22 THR A 51 15.315 -11.701 1.383 1.00 0.49 H new ATOM 0 HG23 THR A 51 14.898 -10.939 -0.171 1.00 0.49 H new ATOM 801 N LYS A 52 13.324 -13.333 2.771 1.00 0.48 N ATOM 802 CA LYS A 52 14.064 -14.476 3.280 1.00 0.60 C ATOM 803 C LYS A 52 13.283 -15.760 3.068 1.00 0.69 C ATOM 804 O LYS A 52 13.846 -16.854 3.085 1.00 0.84 O ATOM 805 CB LYS A 52 14.391 -14.284 4.754 1.00 0.70 C ATOM 806 CG LYS A 52 15.268 -13.070 5.003 1.00 0.78 C ATOM 807 CD LYS A 52 15.643 -12.928 6.464 1.00 1.07 C ATOM 808 CE LYS A 52 16.479 -11.682 6.689 1.00 1.24 C ATOM 809 NZ LYS A 52 16.818 -11.491 8.123 1.00 1.82 N ATOM 0 H LYS A 52 12.881 -12.757 3.487 1.00 0.48 H new ATOM 0 HA LYS A 52 15.000 -14.553 2.726 1.00 0.60 H new ATOM 0 HB2 LYS A 52 13.464 -14.180 5.318 1.00 0.70 H new ATOM 0 HB3 LYS A 52 14.894 -15.175 5.130 1.00 0.70 H new ATOM 0 HG2 LYS A 52 16.174 -13.149 4.403 1.00 0.78 H new ATOM 0 HG3 LYS A 52 14.745 -12.172 4.674 1.00 0.78 H new ATOM 0 HD2 LYS A 52 14.740 -12.880 7.072 1.00 1.07 H new ATOM 0 HD3 LYS A 52 16.199 -13.808 6.788 1.00 1.07 H new ATOM 0 HE2 LYS A 52 17.397 -11.751 6.105 1.00 1.24 H new ATOM 0 HE3 LYS A 52 15.935 -10.810 6.326 1.00 1.24 H new ATOM 0 HZ1 LYS A 52 17.389 -10.629 8.233 1.00 1.82 H new ATOM 0 HZ2 LYS A 52 15.943 -11.399 8.677 1.00 1.82 H new ATOM 0 HZ3 LYS A 52 17.359 -12.311 8.464 1.00 1.82 H new ATOM 902 N GLY A 58 18.459 -11.949 -5.935 1.00 0.67 N ATOM 903 CA GLY A 58 18.117 -11.601 -7.298 1.00 0.56 C ATOM 904 C GLY A 58 16.655 -11.246 -7.448 1.00 0.49 C ATOM 905 O GLY A 58 16.261 -10.609 -8.418 1.00 0.48 O ATOM 0 HA2 GLY A 58 18.729 -10.758 -7.620 1.00 0.56 H new ATOM 0 HA3 GLY A 58 18.355 -12.437 -7.955 1.00 0.56 H new ATOM 909 N VAL A 59 15.843 -11.648 -6.481 1.00 0.52 N ATOM 910 CA VAL A 59 14.421 -11.347 -6.521 1.00 0.52 C ATOM 911 C VAL A 59 14.174 -9.861 -6.350 1.00 0.49 C ATOM 912 O VAL A 59 13.351 -9.275 -7.050 1.00 0.49 O ATOM 913 CB VAL A 59 13.625 -12.127 -5.449 1.00 0.61 C ATOM 914 CG1 VAL A 59 14.178 -11.870 -4.055 1.00 0.65 C ATOM 915 CG2 VAL A 59 12.153 -11.755 -5.506 1.00 0.66 C ATOM 0 H VAL A 59 16.143 -12.180 -5.664 1.00 0.52 H new ATOM 0 HA VAL A 59 14.067 -11.663 -7.502 1.00 0.52 H new ATOM 0 HB VAL A 59 13.730 -13.190 -5.664 1.00 0.61 H new ATOM 0 HG11 VAL A 59 13.597 -12.432 -3.324 1.00 0.65 H new ATOM 0 HG12 VAL A 59 15.220 -12.188 -4.013 1.00 0.65 H new ATOM 0 HG13 VAL A 59 14.114 -10.806 -3.829 1.00 0.65 H new ATOM 0 HG21 VAL A 59 11.607 -12.313 -4.745 1.00 0.66 H new ATOM 0 HG22 VAL A 59 12.040 -10.686 -5.323 1.00 0.66 H new ATOM 0 HG23 VAL A 59 11.754 -11.999 -6.491 1.00 0.66 H new ATOM 925 N LEU A 60 14.911 -9.248 -5.442 1.00 0.48 N ATOM 926 CA LEU A 60 14.764 -7.827 -5.189 1.00 0.46 C ATOM 927 C LEU A 60 15.260 -7.051 -6.399 1.00 0.43 C ATOM 928 O LEU A 60 14.931 -5.885 -6.601 1.00 0.41 O ATOM 929 CB LEU A 60 15.549 -7.418 -3.948 1.00 0.48 C ATOM 930 CG LEU A 60 15.435 -8.375 -2.757 1.00 0.51 C ATOM 931 CD1 LEU A 60 16.248 -7.861 -1.581 1.00 0.51 C ATOM 932 CD2 LEU A 60 13.980 -8.571 -2.360 1.00 0.52 C ATOM 0 H LEU A 60 15.616 -9.711 -4.869 1.00 0.48 H new ATOM 0 HA LEU A 60 13.712 -7.603 -5.015 1.00 0.46 H new ATOM 0 HB2 LEU A 60 16.601 -7.324 -4.218 1.00 0.48 H new ATOM 0 HB3 LEU A 60 15.211 -6.431 -3.633 1.00 0.48 H new ATOM 0 HG LEU A 60 15.838 -9.343 -3.056 1.00 0.51 H new ATOM 0 HD11 LEU A 60 16.155 -8.553 -0.744 1.00 0.51 H new ATOM 0 HD12 LEU A 60 17.296 -7.780 -1.871 1.00 0.51 H new ATOM 0 HD13 LEU A 60 15.877 -6.880 -1.283 1.00 0.51 H new ATOM 0 HD21 LEU A 60 13.923 -9.254 -1.513 1.00 0.52 H new ATOM 0 HD22 LEU A 60 13.546 -7.611 -2.082 1.00 0.52 H new ATOM 0 HD23 LEU A 60 13.427 -8.989 -3.201 1.00 0.52 H new ATOM 944 N ASP A 61 16.047 -7.743 -7.203 1.00 0.46 N ATOM 945 CA ASP A 61 16.572 -7.203 -8.451 1.00 0.46 C ATOM 946 C ASP A 61 15.473 -7.180 -9.494 1.00 0.47 C ATOM 947 O ASP A 61 15.350 -6.243 -10.286 1.00 0.51 O ATOM 948 CB ASP A 61 17.734 -8.067 -8.943 1.00 0.47 C ATOM 949 CG ASP A 61 18.613 -7.366 -9.962 1.00 0.48 C ATOM 950 OD1 ASP A 61 19.595 -6.705 -9.552 1.00 1.22 O ATOM 951 OD2 ASP A 61 18.340 -7.492 -11.176 1.00 1.19 O ATOM 0 H ASP A 61 16.343 -8.700 -7.011 1.00 0.46 H new ATOM 0 HA ASP A 61 16.931 -6.188 -8.281 1.00 0.46 H new ATOM 0 HB2 ASP A 61 18.344 -8.363 -8.090 1.00 0.47 H new ATOM 0 HB3 ASP A 61 17.337 -8.981 -9.384 1.00 0.47 H new ATOM 956 N ARG A 62 14.667 -8.222 -9.470 1.00 0.47 N ATOM 957 CA ARG A 62 13.517 -8.328 -10.346 1.00 0.51 C ATOM 958 C ARG A 62 12.474 -7.306 -9.922 1.00 0.50 C ATOM 959 O ARG A 62 11.794 -6.710 -10.757 1.00 0.56 O ATOM 960 CB ARG A 62 12.951 -9.742 -10.273 1.00 0.55 C ATOM 961 CG ARG A 62 14.025 -10.809 -10.390 1.00 0.55 C ATOM 962 CD ARG A 62 13.489 -12.176 -10.044 1.00 0.62 C ATOM 963 NE ARG A 62 14.547 -13.183 -10.004 1.00 1.45 N ATOM 964 CZ ARG A 62 14.368 -14.431 -9.580 1.00 1.97 C ATOM 965 NH1 ARG A 62 13.168 -14.830 -9.173 1.00 1.66 N ATOM 966 NH2 ARG A 62 15.387 -15.279 -9.563 1.00 3.02 N ATOM 0 H ARG A 62 14.790 -9.018 -8.844 1.00 0.47 H new ATOM 0 HA ARG A 62 13.809 -8.126 -11.377 1.00 0.51 H new ATOM 0 HB2 ARG A 62 12.420 -9.868 -9.329 1.00 0.55 H new ATOM 0 HB3 ARG A 62 12.221 -9.878 -11.070 1.00 0.55 H new ATOM 0 HG2 ARG A 62 14.420 -10.819 -11.406 1.00 0.55 H new ATOM 0 HG3 ARG A 62 14.855 -10.565 -9.727 1.00 0.55 H new ATOM 0 HD2 ARG A 62 12.990 -12.136 -9.076 1.00 0.62 H new ATOM 0 HD3 ARG A 62 12.738 -12.468 -10.778 1.00 0.62 H new ATOM 0 HE ARG A 62 15.478 -12.913 -10.320 1.00 1.45 H new ATOM 0 HH11 ARG A 62 12.383 -14.179 -9.185 1.00 1.66 H new ATOM 0 HH12 ARG A 62 13.032 -15.787 -8.848 1.00 1.66 H new ATOM 0 HH21 ARG A 62 16.309 -14.975 -9.875 1.00 3.02 H new ATOM 0 HH22 ARG A 62 15.249 -16.236 -9.238 1.00 3.02 H new ATOM 980 N MET A 63 12.371 -7.102 -8.610 1.00 0.45 N ATOM 981 CA MET A 63 11.526 -6.050 -8.061 1.00 0.44 C ATOM 982 C MET A 63 12.011 -4.715 -8.555 1.00 0.41 C ATOM 983 O MET A 63 11.242 -3.945 -9.117 1.00 0.42 O ATOM 984 CB MET A 63 11.565 -6.042 -6.538 1.00 0.43 C ATOM 985 CG MET A 63 11.234 -7.380 -5.932 1.00 0.49 C ATOM 986 SD MET A 63 9.503 -7.826 -6.185 1.00 0.64 S ATOM 987 CE MET A 63 9.427 -9.403 -5.345 1.00 1.54 C ATOM 0 H MET A 63 12.864 -7.654 -7.908 1.00 0.45 H new ATOM 0 HA MET A 63 10.503 -6.238 -8.385 1.00 0.44 H new ATOM 0 HB2 MET A 63 12.557 -5.736 -6.207 1.00 0.43 H new ATOM 0 HB3 MET A 63 10.861 -5.297 -6.166 1.00 0.43 H new ATOM 0 HG2 MET A 63 11.874 -8.145 -6.371 1.00 0.49 H new ATOM 0 HG3 MET A 63 11.451 -7.358 -4.864 1.00 0.49 H new ATOM 0 HE1 MET A 63 8.395 -9.620 -5.071 1.00 1.54 H new ATOM 0 HE2 MET A 63 9.799 -10.186 -6.006 1.00 1.54 H new ATOM 0 HE3 MET A 63 10.041 -9.366 -4.445 1.00 1.54 H new ATOM 997 N MET A 64 13.304 -4.472 -8.351 1.00 0.41 N ATOM 998 CA MET A 64 13.947 -3.241 -8.782 1.00 0.42 C ATOM 999 C MET A 64 13.460 -2.825 -10.142 1.00 0.44 C ATOM 1000 O MET A 64 12.840 -1.795 -10.288 1.00 0.41 O ATOM 1001 CB MET A 64 15.464 -3.415 -8.843 1.00 0.55 C ATOM 1002 CG MET A 64 16.182 -2.237 -9.489 1.00 0.65 C ATOM 1003 SD MET A 64 17.856 -2.651 -10.013 1.00 1.87 S ATOM 1004 CE MET A 64 18.401 -1.081 -10.675 1.00 2.41 C ATOM 0 H MET A 64 13.932 -5.125 -7.882 1.00 0.41 H new ATOM 0 HA MET A 64 13.692 -2.472 -8.053 1.00 0.42 H new ATOM 0 HB2 MET A 64 15.847 -3.555 -7.832 1.00 0.55 H new ATOM 0 HB3 MET A 64 15.696 -4.323 -9.400 1.00 0.55 H new ATOM 0 HG2 MET A 64 15.609 -1.895 -10.351 1.00 0.65 H new ATOM 0 HG3 MET A 64 16.221 -1.408 -8.783 1.00 0.65 H new ATOM 0 HE1 MET A 64 19.404 -1.189 -11.089 1.00 2.41 H new ATOM 0 HE2 MET A 64 17.717 -0.760 -11.460 1.00 2.41 H new ATOM 0 HE3 MET A 64 18.415 -0.336 -9.880 1.00 2.41 H new ATOM 1014 N LYS A 65 13.697 -3.659 -11.122 1.00 0.52 N ATOM 1015 CA LYS A 65 13.463 -3.265 -12.502 1.00 0.56 C ATOM 1016 C LYS A 65 11.990 -3.318 -12.889 1.00 0.54 C ATOM 1017 O LYS A 65 11.571 -2.672 -13.850 1.00 0.60 O ATOM 1018 CB LYS A 65 14.334 -4.094 -13.424 1.00 0.66 C ATOM 1019 CG LYS A 65 15.809 -3.870 -13.138 1.00 0.79 C ATOM 1020 CD LYS A 65 16.213 -2.407 -13.323 1.00 0.86 C ATOM 1021 CE LYS A 65 15.835 -1.864 -14.696 1.00 1.57 C ATOM 1022 NZ LYS A 65 16.164 -0.417 -14.831 1.00 2.49 N ATOM 0 H LYS A 65 14.049 -4.609 -11.000 1.00 0.52 H new ATOM 0 HA LYS A 65 13.746 -2.218 -12.608 1.00 0.56 H new ATOM 0 HB2 LYS A 65 14.094 -5.150 -13.302 1.00 0.66 H new ATOM 0 HB3 LYS A 65 14.119 -3.836 -14.461 1.00 0.66 H new ATOM 0 HG2 LYS A 65 16.032 -4.181 -12.117 1.00 0.79 H new ATOM 0 HG3 LYS A 65 16.406 -4.497 -13.800 1.00 0.79 H new ATOM 0 HD2 LYS A 65 15.735 -1.802 -12.553 1.00 0.86 H new ATOM 0 HD3 LYS A 65 17.290 -2.310 -13.182 1.00 0.86 H new ATOM 0 HE2 LYS A 65 16.359 -2.429 -15.467 1.00 1.57 H new ATOM 0 HE3 LYS A 65 14.768 -2.011 -14.863 1.00 1.57 H new ATOM 0 HZ1 LYS A 65 15.923 -0.094 -15.790 1.00 2.49 H new ATOM 0 HZ2 LYS A 65 15.619 0.129 -14.134 1.00 2.49 H new ATOM 0 HZ3 LYS A 65 17.181 -0.275 -14.663 1.00 2.49 H new ATOM 1036 N LYS A 66 11.208 -4.086 -12.154 1.00 0.50 N ATOM 1037 CA LYS A 66 9.761 -4.069 -12.321 1.00 0.52 C ATOM 1038 C LYS A 66 9.202 -2.736 -11.840 1.00 0.48 C ATOM 1039 O LYS A 66 8.317 -2.147 -12.463 1.00 0.55 O ATOM 1040 CB LYS A 66 9.122 -5.206 -11.521 1.00 0.55 C ATOM 1041 CG LYS A 66 7.603 -5.135 -11.457 1.00 0.91 C ATOM 1042 CD LYS A 66 7.018 -6.252 -10.600 1.00 0.96 C ATOM 1043 CE LYS A 66 7.648 -6.291 -9.215 1.00 0.73 C ATOM 1044 NZ LYS A 66 7.025 -7.321 -8.345 1.00 1.47 N ATOM 0 H LYS A 66 11.546 -4.728 -11.437 1.00 0.50 H new ATOM 0 HA LYS A 66 9.530 -4.202 -13.378 1.00 0.52 H new ATOM 0 HB2 LYS A 66 9.413 -6.158 -11.965 1.00 0.55 H new ATOM 0 HB3 LYS A 66 9.520 -5.192 -10.506 1.00 0.55 H new ATOM 0 HG2 LYS A 66 7.301 -4.170 -11.051 1.00 0.91 H new ATOM 0 HG3 LYS A 66 7.194 -5.198 -12.465 1.00 0.91 H new ATOM 0 HD2 LYS A 66 5.941 -6.112 -10.506 1.00 0.96 H new ATOM 0 HD3 LYS A 66 7.172 -7.210 -11.097 1.00 0.96 H new ATOM 0 HE2 LYS A 66 8.715 -6.494 -9.308 1.00 0.73 H new ATOM 0 HE3 LYS A 66 7.549 -5.313 -8.745 1.00 0.73 H new ATOM 0 HZ1 LYS A 66 7.698 -7.602 -7.604 1.00 1.47 H new ATOM 0 HZ2 LYS A 66 6.168 -6.931 -7.904 1.00 1.47 H new ATOM 0 HZ3 LYS A 66 6.773 -8.152 -8.917 1.00 1.47 H new ATOM 1058 N LEU A 67 9.749 -2.262 -10.735 1.00 0.41 N ATOM 1059 CA LEU A 67 9.228 -1.092 -10.051 1.00 0.39 C ATOM 1060 C LEU A 67 9.899 0.183 -10.524 1.00 0.40 C ATOM 1061 O LEU A 67 9.255 1.228 -10.582 1.00 0.46 O ATOM 1062 CB LEU A 67 9.449 -1.241 -8.566 1.00 0.34 C ATOM 1063 CG LEU A 67 8.991 -2.574 -7.977 1.00 0.33 C ATOM 1064 CD1 LEU A 67 9.502 -2.722 -6.561 1.00 0.30 C ATOM 1065 CD2 LEU A 67 7.477 -2.695 -8.026 1.00 0.37 C ATOM 0 H LEU A 67 10.566 -2.677 -10.287 1.00 0.41 H new ATOM 0 HA LEU A 67 8.164 -1.020 -10.277 1.00 0.39 H new ATOM 0 HB2 LEU A 67 10.511 -1.114 -8.357 1.00 0.34 H new ATOM 0 HB3 LEU A 67 8.925 -0.435 -8.053 1.00 0.34 H new ATOM 0 HG LEU A 67 9.408 -3.381 -8.579 1.00 0.33 H new ATOM 0 HD11 LEU A 67 9.169 -3.676 -6.152 1.00 0.30 H new ATOM 0 HD12 LEU A 67 10.591 -2.688 -6.562 1.00 0.30 H new ATOM 0 HD13 LEU A 67 9.114 -1.909 -5.947 1.00 0.30 H new ATOM 0 HD21 LEU A 67 7.175 -3.652 -7.601 1.00 0.37 H new ATOM 0 HD22 LEU A 67 7.028 -1.885 -7.451 1.00 0.37 H new ATOM 0 HD23 LEU A 67 7.140 -2.635 -9.061 1.00 0.37 H new ATOM 1077 N ASP A 68 11.199 0.083 -10.815 1.00 0.40 N ATOM 1078 CA ASP A 68 12.004 1.194 -11.333 1.00 0.42 C ATOM 1079 C ASP A 68 11.456 1.624 -12.678 1.00 0.52 C ATOM 1080 O ASP A 68 11.980 1.300 -13.747 1.00 0.56 O ATOM 1081 CB ASP A 68 13.477 0.769 -11.436 1.00 0.43 C ATOM 1082 CG ASP A 68 14.372 1.761 -12.162 1.00 0.46 C ATOM 1083 OD1 ASP A 68 14.454 2.935 -11.744 1.00 1.23 O ATOM 1084 OD2 ASP A 68 15.028 1.351 -13.148 1.00 1.13 O ATOM 0 H ASP A 68 11.728 -0.781 -10.696 1.00 0.40 H new ATOM 0 HA ASP A 68 11.950 2.043 -10.652 1.00 0.42 H new ATOM 0 HB2 ASP A 68 13.868 0.615 -10.430 1.00 0.43 H new ATOM 0 HB3 ASP A 68 13.530 -0.191 -11.949 1.00 0.43 H new ATOM 1089 N THR A 69 10.359 2.324 -12.586 1.00 0.59 N ATOM 1090 CA THR A 69 9.613 2.774 -13.730 1.00 0.74 C ATOM 1091 C THR A 69 10.201 4.071 -14.254 1.00 0.84 C ATOM 1092 O THR A 69 9.972 4.464 -15.399 1.00 0.99 O ATOM 1093 CB THR A 69 8.135 2.957 -13.341 1.00 0.79 C ATOM 1094 OG1 THR A 69 7.303 2.953 -14.510 1.00 0.90 O ATOM 1095 CG2 THR A 69 7.924 4.252 -12.567 1.00 0.83 C ATOM 0 H THR A 69 9.950 2.604 -11.695 1.00 0.59 H new ATOM 0 HA THR A 69 9.674 2.029 -14.523 1.00 0.74 H new ATOM 0 HB THR A 69 7.857 2.121 -12.699 1.00 0.79 H new ATOM 0 HG1 THR A 69 6.367 3.069 -14.245 1.00 0.90 H new ATOM 0 HG21 THR A 69 6.870 4.353 -12.307 1.00 0.83 H new ATOM 0 HG22 THR A 69 8.523 4.233 -11.656 1.00 0.83 H new ATOM 0 HG23 THR A 69 8.228 5.098 -13.184 1.00 0.83 H new ATOM 1103 N ASN A 70 10.977 4.720 -13.404 1.00 0.80 N ATOM 1104 CA ASN A 70 11.661 5.941 -13.774 1.00 0.94 C ATOM 1105 C ASN A 70 12.957 5.606 -14.489 1.00 0.86 C ATOM 1106 O ASN A 70 13.588 6.458 -15.118 1.00 0.97 O ATOM 1107 CB ASN A 70 11.945 6.759 -12.525 1.00 1.01 C ATOM 1108 CG ASN A 70 12.418 8.165 -12.835 1.00 1.25 C ATOM 1109 OD1 ASN A 70 12.042 8.750 -13.850 1.00 1.46 O ATOM 1110 ND2 ASN A 70 13.244 8.717 -11.962 1.00 1.66 N ATOM 0 H ASN A 70 11.148 4.416 -12.445 1.00 0.80 H new ATOM 0 HA ASN A 70 11.031 6.524 -14.446 1.00 0.94 H new ATOM 0 HB2 ASN A 70 11.041 6.811 -11.918 1.00 1.01 H new ATOM 0 HB3 ASN A 70 12.702 6.250 -11.928 1.00 1.01 H new ATOM 0 HD21 ASN A 70 13.594 9.662 -12.118 1.00 1.66 H new ATOM 0 HD22 ASN A 70 13.531 8.197 -11.133 1.00 1.66 H new ATOM 1117 N SER A 71 13.329 4.333 -14.377 1.00 0.70 N ATOM 1118 CA SER A 71 14.507 3.787 -15.027 1.00 0.66 C ATOM 1119 C SER A 71 15.762 4.501 -14.552 1.00 0.61 C ATOM 1120 O SER A 71 16.646 4.837 -15.341 1.00 0.65 O ATOM 1121 CB SER A 71 14.366 3.873 -16.549 1.00 0.82 C ATOM 1122 OG SER A 71 13.174 3.233 -16.981 1.00 1.47 O ATOM 0 H SER A 71 12.812 3.648 -13.825 1.00 0.70 H new ATOM 0 HA SER A 71 14.598 2.736 -14.754 1.00 0.66 H new ATOM 0 HB2 SER A 71 14.356 4.918 -16.860 1.00 0.82 H new ATOM 0 HB3 SER A 71 15.228 3.407 -17.026 1.00 0.82 H new ATOM 0 HG SER A 71 13.101 3.300 -17.956 1.00 1.47 H new ATOM 1128 N ASP A 72 15.833 4.720 -13.252 1.00 0.58 N ATOM 1129 CA ASP A 72 16.949 5.430 -12.657 1.00 0.65 C ATOM 1130 C ASP A 72 17.763 4.486 -11.785 1.00 0.56 C ATOM 1131 O ASP A 72 18.915 4.762 -11.454 1.00 0.66 O ATOM 1132 CB ASP A 72 16.443 6.617 -11.835 1.00 0.80 C ATOM 1133 CG ASP A 72 17.565 7.502 -11.337 1.00 0.93 C ATOM 1134 OD1 ASP A 72 18.147 8.245 -12.153 1.00 1.56 O ATOM 1135 OD2 ASP A 72 17.859 7.474 -10.125 1.00 1.53 O ATOM 0 H ASP A 72 15.125 4.414 -12.584 1.00 0.58 H new ATOM 0 HA ASP A 72 17.591 5.810 -13.452 1.00 0.65 H new ATOM 0 HB2 ASP A 72 15.760 7.210 -12.443 1.00 0.80 H new ATOM 0 HB3 ASP A 72 15.872 6.247 -10.983 1.00 0.80 H new ATOM 1140 N GLY A 73 17.160 3.359 -11.431 1.00 0.45 N ATOM 1141 CA GLY A 73 17.856 2.364 -10.638 1.00 0.46 C ATOM 1142 C GLY A 73 17.533 2.489 -9.171 1.00 0.41 C ATOM 1143 O GLY A 73 18.242 1.957 -8.315 1.00 0.44 O ATOM 0 H GLY A 73 16.201 3.116 -11.679 1.00 0.45 H new ATOM 0 HA2 GLY A 73 17.584 1.367 -10.986 1.00 0.46 H new ATOM 0 HA3 GLY A 73 18.931 2.471 -10.784 1.00 0.46 H new ATOM 1147 N GLN A 74 16.459 3.198 -8.888 1.00 0.38 N ATOM 1148 CA GLN A 74 15.999 3.398 -7.535 1.00 0.37 C ATOM 1149 C GLN A 74 14.498 3.210 -7.512 1.00 0.36 C ATOM 1150 O GLN A 74 13.882 3.025 -8.557 1.00 0.39 O ATOM 1151 CB GLN A 74 16.314 4.811 -7.047 1.00 0.38 C ATOM 1152 CG GLN A 74 17.764 5.235 -7.174 1.00 0.42 C ATOM 1153 CD GLN A 74 18.013 6.604 -6.572 1.00 0.50 C ATOM 1154 OE1 GLN A 74 18.312 6.636 -5.286 1.00 1.03 O flip ATOM 1155 NE2 GLN A 74 17.925 7.625 -7.250 1.00 1.25 N flip ATOM 0 H GLN A 74 15.881 3.652 -9.595 1.00 0.38 H new ATOM 0 HA GLN A 74 16.503 2.684 -6.884 1.00 0.37 H new ATOM 0 HB2 GLN A 74 15.697 5.516 -7.605 1.00 0.38 H new ATOM 0 HB3 GLN A 74 16.021 4.889 -6.000 1.00 0.38 H new ATOM 0 HG2 GLN A 74 18.400 4.501 -6.680 1.00 0.42 H new ATOM 0 HG3 GLN A 74 18.047 5.245 -8.226 1.00 0.42 H new ATOM 0 HE21 GLN A 74 17.692 7.561 -8.241 1.00 1.25 H new ATOM 0 HE22 GLN A 74 18.085 8.537 -6.822 1.00 1.25 H new ATOM 1164 N LEU A 75 13.913 3.264 -6.334 1.00 0.33 N ATOM 1165 CA LEU A 75 12.470 3.210 -6.217 1.00 0.32 C ATOM 1166 C LEU A 75 11.949 4.396 -5.454 1.00 0.32 C ATOM 1167 O LEU A 75 12.291 4.608 -4.293 1.00 0.32 O ATOM 1168 CB LEU A 75 12.017 1.932 -5.537 1.00 0.31 C ATOM 1169 CG LEU A 75 12.461 0.654 -6.237 1.00 0.33 C ATOM 1170 CD1 LEU A 75 11.960 -0.566 -5.485 1.00 0.35 C ATOM 1171 CD2 LEU A 75 11.963 0.655 -7.675 1.00 0.35 C ATOM 0 H LEU A 75 14.411 3.345 -5.447 1.00 0.33 H new ATOM 0 HA LEU A 75 12.064 3.229 -7.229 1.00 0.32 H new ATOM 0 HB2 LEU A 75 12.398 1.924 -4.516 1.00 0.31 H new ATOM 0 HB3 LEU A 75 10.929 1.936 -5.471 1.00 0.31 H new ATOM 0 HG LEU A 75 13.550 0.613 -6.248 1.00 0.33 H new ATOM 0 HD11 LEU A 75 12.287 -1.470 -5.999 1.00 0.35 H new ATOM 0 HD12 LEU A 75 12.362 -0.560 -4.472 1.00 0.35 H new ATOM 0 HD13 LEU A 75 10.871 -0.546 -5.443 1.00 0.35 H new ATOM 0 HD21 LEU A 75 12.283 -0.261 -8.172 1.00 0.35 H new ATOM 0 HD22 LEU A 75 10.874 0.711 -7.683 1.00 0.35 H new ATOM 0 HD23 LEU A 75 12.374 1.516 -8.202 1.00 0.35 H new ATOM 1183 N ASP A 76 11.142 5.179 -6.126 1.00 0.35 N ATOM 1184 CA ASP A 76 10.527 6.338 -5.519 1.00 0.36 C ATOM 1185 C ASP A 76 9.288 5.927 -4.758 1.00 0.33 C ATOM 1186 O ASP A 76 8.929 4.756 -4.735 1.00 0.32 O ATOM 1187 CB ASP A 76 10.192 7.382 -6.586 1.00 0.44 C ATOM 1188 CG ASP A 76 8.719 7.418 -6.966 1.00 0.91 C ATOM 1189 OD1 ASP A 76 8.240 6.482 -7.630 1.00 1.45 O ATOM 1190 OD2 ASP A 76 8.030 8.396 -6.601 1.00 1.68 O ATOM 0 H ASP A 76 10.892 5.034 -7.104 1.00 0.35 H new ATOM 0 HA ASP A 76 11.230 6.786 -4.816 1.00 0.36 H new ATOM 0 HB2 ASP A 76 10.489 8.366 -6.224 1.00 0.44 H new ATOM 0 HB3 ASP A 76 10.783 7.179 -7.479 1.00 0.44 H new ATOM 1195 N PHE A 77 8.671 6.900 -4.125 1.00 0.41 N ATOM 1196 CA PHE A 77 7.446 6.708 -3.377 1.00 0.49 C ATOM 1197 C PHE A 77 6.452 5.796 -4.111 1.00 0.39 C ATOM 1198 O PHE A 77 6.054 4.759 -3.585 1.00 0.39 O ATOM 1199 CB PHE A 77 6.838 8.077 -3.141 1.00 0.72 C ATOM 1200 CG PHE A 77 7.445 8.831 -1.990 1.00 1.76 C ATOM 1201 CD1 PHE A 77 6.974 8.653 -0.700 1.00 2.66 C ATOM 1202 CD2 PHE A 77 8.481 9.728 -2.202 1.00 2.56 C ATOM 1203 CE1 PHE A 77 7.523 9.357 0.357 1.00 3.77 C ATOM 1204 CE2 PHE A 77 9.034 10.432 -1.150 1.00 3.67 C ATOM 1205 CZ PHE A 77 8.554 10.247 0.131 1.00 4.15 C ATOM 0 H PHE A 77 9.010 7.862 -4.115 1.00 0.41 H new ATOM 0 HA PHE A 77 7.673 6.211 -2.434 1.00 0.49 H new ATOM 0 HB2 PHE A 77 6.947 8.672 -4.048 1.00 0.72 H new ATOM 0 HB3 PHE A 77 5.769 7.961 -2.962 1.00 0.72 H new ATOM 0 HD1 PHE A 77 6.169 7.957 -0.517 1.00 2.66 H new ATOM 0 HD2 PHE A 77 8.860 9.878 -3.202 1.00 2.56 H new ATOM 0 HE1 PHE A 77 7.145 9.210 1.358 1.00 3.77 H new ATOM 0 HE2 PHE A 77 9.841 11.127 -1.330 1.00 3.67 H new ATOM 0 HZ PHE A 77 8.984 10.797 0.955 1.00 4.15 H new ATOM 1215 N SER A 78 6.077 6.171 -5.330 1.00 0.39 N ATOM 1216 CA SER A 78 5.122 5.393 -6.112 1.00 0.38 C ATOM 1217 C SER A 78 5.685 4.032 -6.536 1.00 0.38 C ATOM 1218 O SER A 78 4.962 3.035 -6.535 1.00 0.44 O ATOM 1219 CB SER A 78 4.650 6.191 -7.334 1.00 0.45 C ATOM 1220 OG SER A 78 5.723 6.839 -8.004 1.00 1.31 O ATOM 0 H SER A 78 6.420 7.010 -5.798 1.00 0.39 H new ATOM 0 HA SER A 78 4.266 5.195 -5.468 1.00 0.38 H new ATOM 0 HB2 SER A 78 4.143 5.521 -8.028 1.00 0.45 H new ATOM 0 HB3 SER A 78 3.919 6.936 -7.018 1.00 0.45 H new ATOM 0 HG SER A 78 6.563 6.378 -7.799 1.00 1.31 H new ATOM 1226 N GLU A 79 6.968 3.983 -6.882 1.00 0.36 N ATOM 1227 CA GLU A 79 7.604 2.732 -7.290 1.00 0.42 C ATOM 1228 C GLU A 79 7.680 1.771 -6.103 1.00 0.33 C ATOM 1229 O GLU A 79 7.527 0.557 -6.250 1.00 0.33 O ATOM 1230 CB GLU A 79 8.994 3.022 -7.861 1.00 0.51 C ATOM 1231 CG GLU A 79 8.950 3.947 -9.068 1.00 0.64 C ATOM 1232 CD GLU A 79 10.317 4.418 -9.529 1.00 1.81 C ATOM 1233 OE1 GLU A 79 10.991 5.136 -8.766 1.00 2.54 O ATOM 1234 OE2 GLU A 79 10.701 4.106 -10.670 1.00 2.57 O ATOM 0 H GLU A 79 7.588 4.793 -6.888 1.00 0.36 H new ATOM 0 HA GLU A 79 7.008 2.256 -8.068 1.00 0.42 H new ATOM 0 HB2 GLU A 79 9.614 3.472 -7.086 1.00 0.51 H new ATOM 0 HB3 GLU A 79 9.469 2.083 -8.145 1.00 0.51 H new ATOM 0 HG2 GLU A 79 8.457 3.431 -9.892 1.00 0.64 H new ATOM 0 HG3 GLU A 79 8.339 4.817 -8.826 1.00 0.64 H new ATOM 1241 N PHE A 80 7.890 2.340 -4.924 1.00 0.28 N ATOM 1242 CA PHE A 80 7.880 1.591 -3.677 1.00 0.25 C ATOM 1243 C PHE A 80 6.474 1.095 -3.362 1.00 0.23 C ATOM 1244 O PHE A 80 6.289 0.026 -2.790 1.00 0.26 O ATOM 1245 CB PHE A 80 8.379 2.481 -2.539 1.00 0.31 C ATOM 1246 CG PHE A 80 8.231 1.866 -1.182 1.00 0.71 C ATOM 1247 CD1 PHE A 80 9.077 0.855 -0.771 1.00 1.26 C ATOM 1248 CD2 PHE A 80 7.236 2.298 -0.320 1.00 1.60 C ATOM 1249 CE1 PHE A 80 8.935 0.284 0.474 1.00 1.56 C ATOM 1250 CE2 PHE A 80 7.091 1.731 0.928 1.00 1.98 C ATOM 1251 CZ PHE A 80 7.942 0.722 1.325 1.00 1.64 C ATOM 0 H PHE A 80 8.072 3.337 -4.806 1.00 0.28 H new ATOM 0 HA PHE A 80 8.538 0.729 -3.782 1.00 0.25 H new ATOM 0 HB2 PHE A 80 9.430 2.717 -2.708 1.00 0.31 H new ATOM 0 HB3 PHE A 80 7.833 3.424 -2.562 1.00 0.31 H new ATOM 0 HD1 PHE A 80 9.858 0.509 -1.432 1.00 1.26 H new ATOM 0 HD2 PHE A 80 6.567 3.087 -0.629 1.00 1.60 H new ATOM 0 HE1 PHE A 80 9.602 -0.507 0.784 1.00 1.56 H new ATOM 0 HE2 PHE A 80 6.313 2.076 1.593 1.00 1.98 H new ATOM 0 HZ PHE A 80 7.831 0.275 2.302 1.00 1.64 H new ATOM 1261 N LEU A 81 5.484 1.880 -3.734 1.00 0.25 N ATOM 1262 CA LEU A 81 4.102 1.509 -3.498 1.00 0.26 C ATOM 1263 C LEU A 81 3.655 0.446 -4.476 1.00 0.26 C ATOM 1264 O LEU A 81 2.806 -0.385 -4.158 1.00 0.27 O ATOM 1265 CB LEU A 81 3.205 2.724 -3.597 1.00 0.29 C ATOM 1266 CG LEU A 81 3.463 3.789 -2.532 1.00 0.28 C ATOM 1267 CD1 LEU A 81 2.506 4.945 -2.716 1.00 0.34 C ATOM 1268 CD2 LEU A 81 3.361 3.191 -1.122 1.00 0.29 C ATOM 0 H LEU A 81 5.609 2.778 -4.201 1.00 0.25 H new ATOM 0 HA LEU A 81 4.028 1.100 -2.491 1.00 0.26 H new ATOM 0 HB2 LEU A 81 3.331 3.174 -4.582 1.00 0.29 H new ATOM 0 HB3 LEU A 81 2.167 2.400 -3.525 1.00 0.29 H new ATOM 0 HG LEU A 81 4.479 4.166 -2.649 1.00 0.28 H new ATOM 0 HD11 LEU A 81 2.696 5.700 -1.953 1.00 0.34 H new ATOM 0 HD12 LEU A 81 2.650 5.383 -3.704 1.00 0.34 H new ATOM 0 HD13 LEU A 81 1.481 4.587 -2.624 1.00 0.34 H new ATOM 0 HD21 LEU A 81 3.549 3.969 -0.382 1.00 0.29 H new ATOM 0 HD22 LEU A 81 2.362 2.781 -0.972 1.00 0.29 H new ATOM 0 HD23 LEU A 81 4.100 2.397 -1.009 1.00 0.29 H new ATOM 1280 N ASN A 82 4.220 0.478 -5.670 1.00 0.26 N ATOM 1281 CA ASN A 82 4.013 -0.588 -6.626 1.00 0.26 C ATOM 1282 C ASN A 82 4.545 -1.885 -6.041 1.00 0.23 C ATOM 1283 O ASN A 82 3.961 -2.958 -6.209 1.00 0.25 O ATOM 1284 CB ASN A 82 4.732 -0.276 -7.938 1.00 0.30 C ATOM 1285 CG ASN A 82 4.074 0.832 -8.740 1.00 0.79 C ATOM 1286 OD1 ASN A 82 2.754 0.923 -8.680 1.00 1.51 O flip ATOM 1287 ND2 ASN A 82 4.754 1.598 -9.425 1.00 1.42 N flip ATOM 0 H ASN A 82 4.825 1.231 -5.998 1.00 0.26 H new ATOM 0 HA ASN A 82 2.947 -0.684 -6.833 1.00 0.26 H new ATOM 0 HB2 ASN A 82 5.762 0.006 -7.720 1.00 0.30 H new ATOM 0 HB3 ASN A 82 4.771 -1.180 -8.546 1.00 0.30 H new ATOM 0 HD21 ASN A 82 5.769 1.498 -9.447 1.00 1.42 H new ATOM 0 HD22 ASN A 82 4.302 2.332 -9.970 1.00 1.42 H new ATOM 1294 N LEU A 83 5.669 -1.758 -5.351 1.00 0.23 N ATOM 1295 CA LEU A 83 6.235 -2.845 -4.575 1.00 0.24 C ATOM 1296 C LEU A 83 5.247 -3.321 -3.525 1.00 0.23 C ATOM 1297 O LEU A 83 4.913 -4.503 -3.461 1.00 0.25 O ATOM 1298 CB LEU A 83 7.504 -2.373 -3.882 1.00 0.27 C ATOM 1299 CG LEU A 83 7.938 -3.233 -2.709 1.00 0.31 C ATOM 1300 CD1 LEU A 83 8.382 -4.605 -3.193 1.00 0.35 C ATOM 1301 CD2 LEU A 83 9.034 -2.545 -1.917 1.00 0.36 C ATOM 0 H LEU A 83 6.213 -0.896 -5.315 1.00 0.23 H new ATOM 0 HA LEU A 83 6.463 -3.669 -5.251 1.00 0.24 H new ATOM 0 HB2 LEU A 83 8.312 -2.343 -4.613 1.00 0.27 H new ATOM 0 HB3 LEU A 83 7.353 -1.352 -3.531 1.00 0.27 H new ATOM 0 HG LEU A 83 7.086 -3.371 -2.043 1.00 0.31 H new ATOM 0 HD11 LEU A 83 8.690 -5.210 -2.340 1.00 0.35 H new ATOM 0 HD12 LEU A 83 7.554 -5.095 -3.705 1.00 0.35 H new ATOM 0 HD13 LEU A 83 9.220 -4.494 -3.881 1.00 0.35 H new ATOM 0 HD21 LEU A 83 9.331 -3.178 -1.081 1.00 0.36 H new ATOM 0 HD22 LEU A 83 9.894 -2.370 -2.563 1.00 0.36 H new ATOM 0 HD23 LEU A 83 8.665 -1.592 -1.538 1.00 0.36 H new ATOM 1313 N ILE A 84 4.800 -2.382 -2.700 1.00 0.24 N ATOM 1314 CA ILE A 84 3.828 -2.653 -1.654 1.00 0.26 C ATOM 1315 C ILE A 84 2.600 -3.365 -2.223 1.00 0.27 C ATOM 1316 O ILE A 84 2.016 -4.230 -1.571 1.00 0.29 O ATOM 1317 CB ILE A 84 3.425 -1.336 -0.953 1.00 0.29 C ATOM 1318 CG1 ILE A 84 4.586 -0.804 -0.104 1.00 0.55 C ATOM 1319 CG2 ILE A 84 2.171 -1.517 -0.102 1.00 0.47 C ATOM 1320 CD1 ILE A 84 4.999 -1.725 1.024 1.00 0.62 C ATOM 0 H ILE A 84 5.104 -1.409 -2.740 1.00 0.24 H new ATOM 0 HA ILE A 84 4.284 -3.315 -0.917 1.00 0.26 H new ATOM 0 HB ILE A 84 3.194 -0.603 -1.726 1.00 0.29 H new ATOM 0 HG12 ILE A 84 5.446 -0.631 -0.751 1.00 0.55 H new ATOM 0 HG13 ILE A 84 4.303 0.162 0.315 1.00 0.55 H new ATOM 0 HG21 ILE A 84 1.916 -0.571 0.376 1.00 0.47 H new ATOM 0 HG22 ILE A 84 1.344 -1.837 -0.736 1.00 0.47 H new ATOM 0 HG23 ILE A 84 2.356 -2.272 0.662 1.00 0.47 H new ATOM 0 HD11 ILE A 84 5.825 -1.277 1.576 1.00 0.62 H new ATOM 0 HD12 ILE A 84 4.155 -1.879 1.696 1.00 0.62 H new ATOM 0 HD13 ILE A 84 5.315 -2.684 0.613 1.00 0.62 H new ATOM 1332 N GLY A 85 2.243 -3.024 -3.454 1.00 0.26 N ATOM 1333 CA GLY A 85 1.158 -3.696 -4.130 1.00 0.29 C ATOM 1334 C GLY A 85 1.445 -5.170 -4.336 1.00 0.29 C ATOM 1335 O GLY A 85 0.619 -6.014 -4.008 1.00 0.33 O ATOM 0 H GLY A 85 2.692 -2.287 -3.998 1.00 0.26 H new ATOM 0 HA2 GLY A 85 0.243 -3.582 -3.549 1.00 0.29 H new ATOM 0 HA3 GLY A 85 0.983 -3.222 -5.096 1.00 0.29 H new ATOM 1339 N GLY A 86 2.637 -5.482 -4.833 1.00 0.28 N ATOM 1340 CA GLY A 86 2.989 -6.864 -5.112 1.00 0.31 C ATOM 1341 C GLY A 86 3.217 -7.637 -3.835 1.00 0.29 C ATOM 1342 O GLY A 86 2.941 -8.835 -3.753 1.00 0.35 O ATOM 0 H GLY A 86 3.367 -4.803 -5.048 1.00 0.28 H new ATOM 0 HA2 GLY A 86 2.193 -7.336 -5.689 1.00 0.31 H new ATOM 0 HA3 GLY A 86 3.889 -6.896 -5.726 1.00 0.31 H new ATOM 1346 N LEU A 87 3.711 -6.929 -2.838 1.00 0.25 N ATOM 1347 CA LEU A 87 3.916 -7.478 -1.509 1.00 0.25 C ATOM 1348 C LEU A 87 2.588 -7.861 -0.890 1.00 0.26 C ATOM 1349 O LEU A 87 2.384 -8.999 -0.463 1.00 0.29 O ATOM 1350 CB LEU A 87 4.582 -6.436 -0.626 1.00 0.25 C ATOM 1351 CG LEU A 87 6.077 -6.243 -0.827 1.00 0.26 C ATOM 1352 CD1 LEU A 87 6.512 -4.944 -0.181 1.00 0.26 C ATOM 1353 CD2 LEU A 87 6.845 -7.406 -0.225 1.00 0.35 C ATOM 0 H LEU A 87 3.984 -5.950 -2.927 1.00 0.25 H new ATOM 0 HA LEU A 87 4.548 -8.362 -1.591 1.00 0.25 H new ATOM 0 HB2 LEU A 87 4.087 -5.479 -0.793 1.00 0.25 H new ATOM 0 HB3 LEU A 87 4.408 -6.708 0.415 1.00 0.25 H new ATOM 0 HG LEU A 87 6.289 -6.204 -1.895 1.00 0.26 H new ATOM 0 HD11 LEU A 87 7.584 -4.807 -0.326 1.00 0.26 H new ATOM 0 HD12 LEU A 87 5.975 -4.113 -0.638 1.00 0.26 H new ATOM 0 HD13 LEU A 87 6.291 -4.976 0.886 1.00 0.26 H new ATOM 0 HD21 LEU A 87 7.914 -7.254 -0.377 1.00 0.35 H new ATOM 0 HD22 LEU A 87 6.635 -7.467 0.843 1.00 0.35 H new ATOM 0 HD23 LEU A 87 6.538 -8.334 -0.708 1.00 0.35 H new ATOM 1365 N ALA A 88 1.683 -6.893 -0.853 1.00 0.25 N ATOM 1366 CA ALA A 88 0.365 -7.103 -0.293 1.00 0.27 C ATOM 1367 C ALA A 88 -0.368 -8.164 -1.053 1.00 0.30 C ATOM 1368 O ALA A 88 -1.160 -8.901 -0.491 1.00 0.35 O ATOM 1369 CB ALA A 88 -0.452 -5.838 -0.334 1.00 0.27 C ATOM 0 H ALA A 88 1.844 -5.950 -1.208 1.00 0.25 H new ATOM 0 HA ALA A 88 0.501 -7.413 0.743 1.00 0.27 H new ATOM 0 HB1 ALA A 88 -1.437 -6.027 0.093 1.00 0.27 H new ATOM 0 HB2 ALA A 88 0.051 -5.061 0.242 1.00 0.27 H new ATOM 0 HB3 ALA A 88 -0.562 -5.509 -1.367 1.00 0.27 H new ATOM 1375 N MET A 89 -0.114 -8.220 -2.341 1.00 0.29 N ATOM 1376 CA MET A 89 -0.759 -9.188 -3.185 1.00 0.33 C ATOM 1377 C MET A 89 -0.254 -10.587 -2.896 1.00 0.34 C ATOM 1378 O MET A 89 -1.008 -11.553 -2.997 1.00 0.39 O ATOM 1379 CB MET A 89 -0.578 -8.821 -4.645 1.00 0.35 C ATOM 1380 CG MET A 89 -1.550 -7.748 -5.075 1.00 0.42 C ATOM 1381 SD MET A 89 -1.693 -7.615 -6.869 1.00 1.03 S ATOM 1382 CE MET A 89 -0.035 -7.109 -7.316 1.00 1.89 C ATOM 0 H MET A 89 0.538 -7.602 -2.824 1.00 0.29 H new ATOM 0 HA MET A 89 -1.827 -9.179 -2.966 1.00 0.33 H new ATOM 0 HB2 MET A 89 0.442 -8.475 -4.810 1.00 0.35 H new ATOM 0 HB3 MET A 89 -0.718 -9.708 -5.263 1.00 0.35 H new ATOM 0 HG2 MET A 89 -2.531 -7.962 -4.651 1.00 0.42 H new ATOM 0 HG3 MET A 89 -1.229 -6.789 -4.668 1.00 0.42 H new ATOM 0 HE1 MET A 89 -0.036 -6.716 -8.333 1.00 1.89 H new ATOM 0 HE2 MET A 89 0.307 -6.336 -6.628 1.00 1.89 H new ATOM 0 HE3 MET A 89 0.635 -7.967 -7.260 1.00 1.89 H new ATOM 1392 N ALA A 90 1.007 -10.680 -2.500 1.00 0.34 N ATOM 1393 CA ALA A 90 1.599 -11.951 -2.107 1.00 0.40 C ATOM 1394 C ALA A 90 0.998 -12.429 -0.791 1.00 0.42 C ATOM 1395 O ALA A 90 0.903 -13.627 -0.526 1.00 0.49 O ATOM 1396 CB ALA A 90 3.104 -11.814 -1.984 1.00 0.46 C ATOM 0 H ALA A 90 1.644 -9.885 -2.442 1.00 0.34 H new ATOM 0 HA ALA A 90 1.381 -12.691 -2.876 1.00 0.40 H new ATOM 0 HB1 ALA A 90 3.534 -12.772 -1.690 1.00 0.46 H new ATOM 0 HB2 ALA A 90 3.521 -11.509 -2.944 1.00 0.46 H new ATOM 0 HB3 ALA A 90 3.341 -11.063 -1.230 1.00 0.46 H new ATOM 1402 N CYS A 91 0.592 -11.474 0.025 1.00 0.41 N ATOM 1403 CA CYS A 91 -0.055 -11.764 1.291 1.00 0.47 C ATOM 1404 C CYS A 91 -1.542 -11.988 1.069 1.00 0.45 C ATOM 1405 O CYS A 91 -2.177 -12.747 1.787 1.00 0.51 O ATOM 1406 CB CYS A 91 0.177 -10.618 2.277 1.00 0.55 C ATOM 1407 SG CYS A 91 1.922 -10.203 2.519 1.00 1.76 S ATOM 0 H CYS A 91 0.701 -10.479 -0.170 1.00 0.41 H new ATOM 0 HA CYS A 91 0.376 -12.671 1.714 1.00 0.47 H new ATOM 0 HB2 CYS A 91 -0.351 -9.733 1.922 1.00 0.55 H new ATOM 0 HB3 CYS A 91 -0.260 -10.885 3.239 1.00 0.55 H new ATOM 0 HG CYS A 91 2.398 -9.677 1.430 1.00 1.76 H new ATOM 1413 N HIS A 92 -2.084 -11.313 0.065 1.00 0.41 N ATOM 1414 CA HIS A 92 -3.462 -11.510 -0.347 1.00 0.46 C ATOM 1415 C HIS A 92 -3.655 -12.947 -0.783 1.00 0.45 C ATOM 1416 O HIS A 92 -4.547 -13.629 -0.305 1.00 0.49 O ATOM 1417 CB HIS A 92 -3.833 -10.521 -1.480 1.00 0.54 C ATOM 1418 CG HIS A 92 -4.425 -11.139 -2.727 1.00 1.21 C ATOM 1419 ND1 HIS A 92 -3.676 -11.446 -3.845 1.00 2.13 N ATOM 1420 CD2 HIS A 92 -5.695 -11.503 -3.024 1.00 1.96 C ATOM 1421 CE1 HIS A 92 -4.462 -11.965 -4.769 1.00 2.74 C ATOM 1422 NE2 HIS A 92 -5.691 -12.012 -4.299 1.00 2.62 N ATOM 0 H HIS A 92 -1.581 -10.616 -0.484 1.00 0.41 H new ATOM 0 HA HIS A 92 -4.127 -11.310 0.493 1.00 0.46 H new ATOM 0 HB2 HIS A 92 -4.544 -9.795 -1.085 1.00 0.54 H new ATOM 0 HB3 HIS A 92 -2.937 -9.968 -1.762 1.00 0.54 H new ATOM 0 HD1 HIS A 92 -2.672 -11.295 -3.942 1.00 2.13 H new ATOM 0 HD2 HIS A 92 -6.554 -11.410 -2.376 1.00 1.96 H new ATOM 0 HE1 HIS A 92 -4.149 -12.296 -5.748 1.00 2.74 H new ATOM 1431 N ASP A 93 -2.794 -13.404 -1.675 1.00 0.45 N ATOM 1432 CA ASP A 93 -2.929 -14.729 -2.221 1.00 0.52 C ATOM 1433 C ASP A 93 -2.655 -15.763 -1.145 1.00 0.56 C ATOM 1434 O ASP A 93 -3.373 -16.745 -1.016 1.00 0.65 O ATOM 1435 CB ASP A 93 -2.012 -14.907 -3.431 1.00 0.54 C ATOM 1436 CG ASP A 93 -0.532 -15.039 -3.125 1.00 0.93 C ATOM 1437 OD1 ASP A 93 -0.108 -16.113 -2.651 1.00 1.75 O ATOM 1438 OD2 ASP A 93 0.220 -14.091 -3.401 1.00 1.48 O ATOM 0 H ASP A 93 -1.999 -12.874 -2.031 1.00 0.45 H new ATOM 0 HA ASP A 93 -3.952 -14.872 -2.568 1.00 0.52 H new ATOM 0 HB2 ASP A 93 -2.331 -15.795 -3.977 1.00 0.54 H new ATOM 0 HB3 ASP A 93 -2.151 -14.055 -4.097 1.00 0.54 H new ATOM 1443 N SER A 94 -1.622 -15.502 -0.376 1.00 0.54 N ATOM 1444 CA SER A 94 -1.296 -16.296 0.809 1.00 0.60 C ATOM 1445 C SER A 94 -2.518 -16.442 1.714 1.00 0.63 C ATOM 1446 O SER A 94 -2.906 -17.548 2.077 1.00 0.70 O ATOM 1447 CB SER A 94 -0.167 -15.626 1.597 1.00 0.65 C ATOM 1448 OG SER A 94 0.318 -16.464 2.635 1.00 1.27 O ATOM 0 H SER A 94 -0.976 -14.732 -0.547 1.00 0.54 H new ATOM 0 HA SER A 94 -0.977 -17.284 0.477 1.00 0.60 H new ATOM 0 HB2 SER A 94 0.650 -15.375 0.920 1.00 0.65 H new ATOM 0 HB3 SER A 94 -0.527 -14.690 2.023 1.00 0.65 H new ATOM 0 HG SER A 94 1.038 -16.006 3.116 1.00 1.27 H new ATOM 1454 N PHE A 95 -3.119 -15.308 2.055 1.00 0.60 N ATOM 1455 CA PHE A 95 -4.281 -15.259 2.934 1.00 0.66 C ATOM 1456 C PHE A 95 -5.448 -16.011 2.312 1.00 0.72 C ATOM 1457 O PHE A 95 -6.172 -16.731 2.992 1.00 0.84 O ATOM 1458 CB PHE A 95 -4.662 -13.795 3.179 1.00 0.64 C ATOM 1459 CG PHE A 95 -5.627 -13.576 4.308 1.00 0.78 C ATOM 1460 CD1 PHE A 95 -5.406 -14.147 5.551 1.00 1.30 C ATOM 1461 CD2 PHE A 95 -6.744 -12.779 4.130 1.00 1.80 C ATOM 1462 CE1 PHE A 95 -6.284 -13.927 6.594 1.00 1.76 C ATOM 1463 CE2 PHE A 95 -7.627 -12.557 5.169 1.00 2.35 C ATOM 1464 CZ PHE A 95 -7.395 -13.133 6.402 1.00 2.08 C ATOM 0 H PHE A 95 -2.812 -14.392 1.728 1.00 0.60 H new ATOM 0 HA PHE A 95 -4.037 -15.735 3.884 1.00 0.66 H new ATOM 0 HB2 PHE A 95 -3.754 -13.227 3.380 1.00 0.64 H new ATOM 0 HB3 PHE A 95 -5.096 -13.389 2.265 1.00 0.64 H new ATOM 0 HD1 PHE A 95 -4.538 -14.771 5.706 1.00 1.30 H new ATOM 0 HD2 PHE A 95 -6.928 -12.325 3.167 1.00 1.80 H new ATOM 0 HE1 PHE A 95 -6.101 -14.376 7.559 1.00 1.76 H new ATOM 0 HE2 PHE A 95 -8.496 -11.935 5.017 1.00 2.35 H new ATOM 0 HZ PHE A 95 -8.084 -12.962 7.216 1.00 2.08 H new ATOM 1737 N PRO B 7 5.693 -8.897 12.035 1.00 0.70 N ATOM 1738 CA PRO B 7 5.787 -8.083 10.823 1.00 0.54 C ATOM 1739 C PRO B 7 6.415 -6.725 11.096 1.00 0.45 C ATOM 1740 O PRO B 7 6.327 -6.195 12.207 1.00 0.57 O ATOM 1741 CB PRO B 7 4.323 -7.915 10.429 1.00 0.62 C ATOM 1742 CG PRO B 7 3.625 -7.862 11.734 1.00 0.75 C ATOM 1743 CD PRO B 7 4.324 -8.881 12.592 1.00 0.82 C ATOM 0 HA PRO B 7 6.412 -8.540 10.056 1.00 0.54 H new ATOM 0 HB2 PRO B 7 4.164 -7.005 9.850 1.00 0.62 H new ATOM 0 HB3 PRO B 7 3.972 -8.747 9.818 1.00 0.62 H new ATOM 0 HG2 PRO B 7 3.687 -6.867 12.174 1.00 0.75 H new ATOM 0 HG3 PRO B 7 2.566 -8.097 11.625 1.00 0.75 H new ATOM 0 HD2 PRO B 7 4.319 -8.595 13.644 1.00 0.82 H new ATOM 0 HD3 PRO B 7 3.849 -9.860 12.525 1.00 0.82 H new ATOM 1751 N THR B 8 7.043 -6.164 10.083 1.00 0.34 N ATOM 1752 CA THR B 8 7.614 -4.835 10.187 1.00 0.27 C ATOM 1753 C THR B 8 6.529 -3.806 9.940 1.00 0.28 C ATOM 1754 O THR B 8 5.360 -4.167 9.797 1.00 0.34 O ATOM 1755 CB THR B 8 8.728 -4.629 9.159 1.00 0.29 C ATOM 1756 OG1 THR B 8 8.152 -4.514 7.857 1.00 0.37 O ATOM 1757 CG2 THR B 8 9.702 -5.788 9.201 1.00 0.33 C ATOM 0 H THR B 8 7.172 -6.609 9.174 1.00 0.34 H new ATOM 0 HA THR B 8 8.034 -4.722 11.186 1.00 0.27 H new ATOM 0 HB THR B 8 9.273 -3.715 9.395 1.00 0.29 H new ATOM 0 HG1 THR B 8 8.862 -4.540 7.182 1.00 0.37 H new ATOM 0 HG21 THR B 8 10.489 -5.628 8.464 1.00 0.33 H new ATOM 0 HG22 THR B 8 10.144 -5.856 10.195 1.00 0.33 H new ATOM 0 HG23 THR B 8 9.175 -6.715 8.974 1.00 0.33 H new ATOM 1765 N GLU B 9 6.909 -2.545 9.857 1.00 0.28 N ATOM 1766 CA GLU B 9 5.940 -1.484 9.637 1.00 0.33 C ATOM 1767 C GLU B 9 5.201 -1.693 8.313 1.00 0.36 C ATOM 1768 O GLU B 9 3.987 -1.593 8.264 1.00 0.52 O ATOM 1769 CB GLU B 9 6.611 -0.112 9.657 1.00 0.40 C ATOM 1770 CG GLU B 9 5.609 1.028 9.616 1.00 0.56 C ATOM 1771 CD GLU B 9 4.808 1.145 10.896 1.00 1.73 C ATOM 1772 OE1 GLU B 9 5.320 1.740 11.866 1.00 2.47 O ATOM 1773 OE2 GLU B 9 3.662 0.651 10.935 1.00 2.48 O ATOM 0 H GLU B 9 7.876 -2.230 9.938 1.00 0.28 H new ATOM 0 HA GLU B 9 5.216 -1.521 10.451 1.00 0.33 H new ATOM 0 HB2 GLU B 9 7.221 -0.023 10.556 1.00 0.40 H new ATOM 0 HB3 GLU B 9 7.286 -0.029 8.805 1.00 0.40 H new ATOM 0 HG2 GLU B 9 6.137 1.964 9.435 1.00 0.56 H new ATOM 0 HG3 GLU B 9 4.928 0.879 8.778 1.00 0.56 H new ATOM 1780 N THR B 10 5.928 -2.034 7.257 1.00 0.26 N ATOM 1781 CA THR B 10 5.322 -2.244 5.946 1.00 0.27 C ATOM 1782 C THR B 10 4.534 -3.537 5.930 1.00 0.27 C ATOM 1783 O THR B 10 3.431 -3.585 5.407 1.00 0.31 O ATOM 1784 CB THR B 10 6.371 -2.242 4.797 1.00 0.27 C ATOM 1785 OG1 THR B 10 5.976 -3.137 3.753 1.00 0.40 O ATOM 1786 CG2 THR B 10 7.755 -2.622 5.299 1.00 0.26 C ATOM 0 H THR B 10 6.938 -2.171 7.281 1.00 0.26 H new ATOM 0 HA THR B 10 4.649 -1.405 5.769 1.00 0.27 H new ATOM 0 HB THR B 10 6.417 -1.226 4.404 1.00 0.27 H new ATOM 0 HG1 THR B 10 6.479 -2.931 2.938 1.00 0.40 H new ATOM 0 HG21 THR B 10 8.460 -2.609 4.468 1.00 0.26 H new ATOM 0 HG22 THR B 10 8.076 -1.908 6.057 1.00 0.26 H new ATOM 0 HG23 THR B 10 7.723 -3.622 5.732 1.00 0.26 H new ATOM 1794 N GLU B 11 5.078 -4.566 6.553 1.00 0.24 N ATOM 1795 CA GLU B 11 4.458 -5.880 6.529 1.00 0.27 C ATOM 1796 C GLU B 11 3.116 -5.862 7.239 1.00 0.30 C ATOM 1797 O GLU B 11 2.124 -6.380 6.729 1.00 0.32 O ATOM 1798 CB GLU B 11 5.382 -6.895 7.168 1.00 0.29 C ATOM 1799 CG GLU B 11 6.760 -6.863 6.559 1.00 0.41 C ATOM 1800 CD GLU B 11 7.689 -7.920 7.121 1.00 1.11 C ATOM 1801 OE1 GLU B 11 7.549 -8.256 8.315 1.00 1.71 O ATOM 1802 OE2 GLU B 11 8.564 -8.410 6.382 1.00 1.85 O ATOM 0 H GLU B 11 5.948 -4.518 7.082 1.00 0.24 H new ATOM 0 HA GLU B 11 4.283 -6.162 5.491 1.00 0.27 H new ATOM 0 HB2 GLU B 11 5.453 -6.698 8.238 1.00 0.29 H new ATOM 0 HB3 GLU B 11 4.958 -7.893 7.055 1.00 0.29 H new ATOM 0 HG2 GLU B 11 6.676 -6.999 5.481 1.00 0.41 H new ATOM 0 HG3 GLU B 11 7.199 -5.879 6.723 1.00 0.41 H new ATOM 1809 N ARG B 12 3.089 -5.242 8.406 1.00 0.35 N ATOM 1810 CA ARG B 12 1.857 -5.119 9.168 1.00 0.42 C ATOM 1811 C ARG B 12 0.879 -4.244 8.409 1.00 0.43 C ATOM 1812 O ARG B 12 -0.324 -4.488 8.404 1.00 0.47 O ATOM 1813 CB ARG B 12 2.127 -4.538 10.566 1.00 0.48 C ATOM 1814 CG ARG B 12 2.727 -3.138 10.573 1.00 0.49 C ATOM 1815 CD ARG B 12 1.655 -2.066 10.488 1.00 0.56 C ATOM 1816 NE ARG B 12 0.804 -2.086 11.670 1.00 1.08 N ATOM 1817 CZ ARG B 12 1.063 -1.404 12.781 1.00 1.34 C ATOM 1818 NH1 ARG B 12 2.052 -0.513 12.813 1.00 1.86 N ATOM 1819 NH2 ARG B 12 0.308 -1.591 13.855 1.00 1.95 N ATOM 0 H ARG B 12 3.904 -4.816 8.847 1.00 0.35 H new ATOM 0 HA ARG B 12 1.426 -6.111 9.300 1.00 0.42 H new ATOM 0 HB2 ARG B 12 1.190 -4.519 11.123 1.00 0.48 H new ATOM 0 HB3 ARG B 12 2.801 -5.209 11.099 1.00 0.48 H new ATOM 0 HG2 ARG B 12 3.311 -2.997 11.483 1.00 0.49 H new ATOM 0 HG3 ARG B 12 3.414 -3.033 9.733 1.00 0.49 H new ATOM 0 HD2 ARG B 12 2.122 -1.086 10.388 1.00 0.56 H new ATOM 0 HD3 ARG B 12 1.049 -2.223 9.596 1.00 0.56 H new ATOM 0 HE ARG B 12 -0.041 -2.657 11.644 1.00 1.08 H new ATOM 0 HH11 ARG B 12 2.618 -0.349 11.980 1.00 1.86 H new ATOM 0 HH12 ARG B 12 2.244 0.006 13.670 1.00 1.86 H new ATOM 0 HH21 ARG B 12 -0.466 -2.255 13.825 1.00 1.95 H new ATOM 0 HH22 ARG B 12 0.501 -1.071 14.711 1.00 1.95 H new ATOM 1833 N CYS B 13 1.430 -3.248 7.735 1.00 0.42 N ATOM 1834 CA CYS B 13 0.646 -2.264 7.015 1.00 0.44 C ATOM 1835 C CYS B 13 0.045 -2.891 5.779 1.00 0.30 C ATOM 1836 O CYS B 13 -1.077 -2.585 5.382 1.00 0.29 O ATOM 1837 CB CYS B 13 1.542 -1.075 6.678 1.00 0.57 C ATOM 1838 SG CYS B 13 1.742 0.077 8.049 1.00 2.16 S ATOM 0 H CYS B 13 2.437 -3.101 7.673 1.00 0.42 H new ATOM 0 HA CYS B 13 -0.181 -1.907 7.629 1.00 0.44 H new ATOM 0 HB2 CYS B 13 2.523 -1.442 6.375 1.00 0.57 H new ATOM 0 HB3 CYS B 13 1.123 -0.543 5.824 1.00 0.57 H new ATOM 0 HG CYS B 13 0.582 0.323 8.582 1.00 2.16 H new ATOM 1844 N ILE B 14 0.799 -3.803 5.207 1.00 0.26 N ATOM 1845 CA ILE B 14 0.348 -4.595 4.094 1.00 0.24 C ATOM 1846 C ILE B 14 -0.867 -5.437 4.478 1.00 0.21 C ATOM 1847 O ILE B 14 -1.872 -5.467 3.765 1.00 0.23 O ATOM 1848 CB ILE B 14 1.488 -5.511 3.616 1.00 0.24 C ATOM 1849 CG1 ILE B 14 2.504 -4.729 2.786 1.00 0.25 C ATOM 1850 CG2 ILE B 14 0.943 -6.685 2.833 1.00 0.27 C ATOM 1851 CD1 ILE B 14 3.764 -5.514 2.528 1.00 0.27 C ATOM 0 H ILE B 14 1.751 -4.015 5.507 1.00 0.26 H new ATOM 0 HA ILE B 14 0.056 -3.922 3.288 1.00 0.24 H new ATOM 0 HB ILE B 14 2.000 -5.900 4.496 1.00 0.24 H new ATOM 0 HG12 ILE B 14 2.053 -4.449 1.834 1.00 0.25 H new ATOM 0 HG13 ILE B 14 2.756 -3.803 3.304 1.00 0.25 H new ATOM 0 HG21 ILE B 14 1.768 -7.318 2.506 1.00 0.27 H new ATOM 0 HG22 ILE B 14 0.270 -7.264 3.466 1.00 0.27 H new ATOM 0 HG23 ILE B 14 0.398 -6.320 1.962 1.00 0.27 H new ATOM 0 HD11 ILE B 14 4.452 -4.913 1.934 1.00 0.27 H new ATOM 0 HD12 ILE B 14 4.233 -5.771 3.478 1.00 0.27 H new ATOM 0 HD13 ILE B 14 3.519 -6.427 1.985 1.00 0.27 H new ATOM 1863 N GLU B 15 -0.781 -6.089 5.630 1.00 0.24 N ATOM 1864 CA GLU B 15 -1.834 -6.978 6.084 1.00 0.28 C ATOM 1865 C GLU B 15 -2.996 -6.165 6.581 1.00 0.30 C ATOM 1866 O GLU B 15 -4.125 -6.639 6.654 1.00 0.34 O ATOM 1867 CB GLU B 15 -1.335 -7.862 7.208 1.00 0.32 C ATOM 1868 CG GLU B 15 -0.092 -8.656 6.844 1.00 0.32 C ATOM 1869 CD GLU B 15 0.384 -9.539 7.976 1.00 0.38 C ATOM 1870 OE1 GLU B 15 1.109 -9.041 8.862 1.00 1.06 O ATOM 1871 OE2 GLU B 15 0.033 -10.736 7.990 1.00 1.25 O ATOM 0 H GLU B 15 0.012 -6.016 6.267 1.00 0.24 H new ATOM 0 HA GLU B 15 -2.144 -7.605 5.248 1.00 0.28 H new ATOM 0 HB2 GLU B 15 -1.120 -7.243 8.079 1.00 0.32 H new ATOM 0 HB3 GLU B 15 -2.127 -8.553 7.496 1.00 0.32 H new ATOM 0 HG2 GLU B 15 -0.302 -9.273 5.970 1.00 0.32 H new ATOM 0 HG3 GLU B 15 0.706 -7.968 6.564 1.00 0.32 H new ATOM 1878 N SER B 16 -2.693 -4.942 6.950 1.00 0.31 N ATOM 1879 CA SER B 16 -3.700 -4.008 7.359 1.00 0.37 C ATOM 1880 C SER B 16 -4.559 -3.596 6.172 1.00 0.28 C ATOM 1881 O SER B 16 -5.771 -3.465 6.298 1.00 0.28 O ATOM 1882 CB SER B 16 -3.045 -2.803 8.004 1.00 0.54 C ATOM 1883 OG SER B 16 -2.639 -3.080 9.335 1.00 0.97 O ATOM 0 H SER B 16 -1.742 -4.573 6.973 1.00 0.31 H new ATOM 0 HA SER B 16 -4.353 -4.482 8.092 1.00 0.37 H new ATOM 0 HB2 SER B 16 -2.180 -2.499 7.415 1.00 0.54 H new ATOM 0 HB3 SER B 16 -3.742 -1.965 8.002 1.00 0.54 H new ATOM 0 HG SER B 16 -1.805 -3.595 9.322 1.00 0.97 H new ATOM 1889 N LEU B 17 -3.932 -3.412 5.015 1.00 0.27 N ATOM 1890 CA LEU B 17 -4.674 -3.158 3.785 1.00 0.28 C ATOM 1891 C LEU B 17 -5.558 -4.352 3.496 1.00 0.27 C ATOM 1892 O LEU B 17 -6.723 -4.208 3.147 1.00 0.32 O ATOM 1893 CB LEU B 17 -3.724 -2.936 2.613 1.00 0.29 C ATOM 1894 CG LEU B 17 -2.592 -1.960 2.893 1.00 0.33 C ATOM 1895 CD1 LEU B 17 -1.589 -1.946 1.751 1.00 0.33 C ATOM 1896 CD2 LEU B 17 -3.135 -0.561 3.144 1.00 0.46 C ATOM 0 H LEU B 17 -2.918 -3.434 4.903 1.00 0.27 H new ATOM 0 HA LEU B 17 -5.276 -2.259 3.913 1.00 0.28 H new ATOM 0 HB2 LEU B 17 -3.296 -3.895 2.322 1.00 0.29 H new ATOM 0 HB3 LEU B 17 -4.298 -2.572 1.761 1.00 0.29 H new ATOM 0 HG LEU B 17 -2.076 -2.295 3.793 1.00 0.33 H new ATOM 0 HD11 LEU B 17 -0.790 -1.240 1.977 1.00 0.33 H new ATOM 0 HD12 LEU B 17 -1.167 -2.943 1.625 1.00 0.33 H new ATOM 0 HD13 LEU B 17 -2.090 -1.645 0.831 1.00 0.33 H new ATOM 0 HD21 LEU B 17 -2.308 0.120 3.342 1.00 0.46 H new ATOM 0 HD22 LEU B 17 -3.683 -0.220 2.266 1.00 0.46 H new ATOM 0 HD23 LEU B 17 -3.804 -0.579 4.004 1.00 0.46 H new ATOM 1908 N ILE B 18 -4.978 -5.534 3.670 1.00 0.27 N ATOM 1909 CA ILE B 18 -5.710 -6.783 3.548 1.00 0.30 C ATOM 1910 C ILE B 18 -6.911 -6.794 4.494 1.00 0.28 C ATOM 1911 O ILE B 18 -8.013 -7.183 4.115 1.00 0.30 O ATOM 1912 CB ILE B 18 -4.795 -7.995 3.862 1.00 0.36 C ATOM 1913 CG1 ILE B 18 -3.652 -8.092 2.843 1.00 0.62 C ATOM 1914 CG2 ILE B 18 -5.603 -9.284 3.897 1.00 0.47 C ATOM 1915 CD1 ILE B 18 -4.110 -8.200 1.405 1.00 1.37 C ATOM 0 H ILE B 18 -3.991 -5.650 3.899 1.00 0.27 H new ATOM 0 HA ILE B 18 -6.060 -6.864 2.519 1.00 0.30 H new ATOM 0 HB ILE B 18 -4.355 -7.845 4.848 1.00 0.36 H new ATOM 0 HG12 ILE B 18 -3.014 -7.214 2.944 1.00 0.62 H new ATOM 0 HG13 ILE B 18 -3.039 -8.960 3.083 1.00 0.62 H new ATOM 0 HG21 ILE B 18 -4.942 -10.122 4.119 1.00 0.47 H new ATOM 0 HG22 ILE B 18 -6.369 -9.212 4.669 1.00 0.47 H new ATOM 0 HG23 ILE B 18 -6.077 -9.443 2.928 1.00 0.47 H new ATOM 0 HD11 ILE B 18 -3.241 -8.264 0.750 1.00 1.37 H new ATOM 0 HD12 ILE B 18 -4.722 -9.094 1.284 1.00 1.37 H new ATOM 0 HD13 ILE B 18 -4.697 -7.320 1.143 1.00 1.37 H new ATOM 1927 N ALA B 19 -6.685 -6.332 5.714 1.00 0.25 N ATOM 1928 CA ALA B 19 -7.708 -6.319 6.747 1.00 0.25 C ATOM 1929 C ALA B 19 -8.835 -5.343 6.421 1.00 0.23 C ATOM 1930 O ALA B 19 -10.008 -5.719 6.433 1.00 0.27 O ATOM 1931 CB ALA B 19 -7.080 -5.974 8.086 1.00 0.28 C ATOM 0 H ALA B 19 -5.786 -5.955 6.016 1.00 0.25 H new ATOM 0 HA ALA B 19 -8.148 -7.315 6.796 1.00 0.25 H new ATOM 0 HB1 ALA B 19 -7.850 -5.965 8.858 1.00 0.28 H new ATOM 0 HB2 ALA B 19 -6.324 -6.719 8.336 1.00 0.28 H new ATOM 0 HB3 ALA B 19 -6.614 -4.990 8.027 1.00 0.28 H new ATOM 1937 N VAL B 20 -8.477 -4.094 6.131 1.00 0.20 N ATOM 1938 CA VAL B 20 -9.467 -3.066 5.838 1.00 0.22 C ATOM 1939 C VAL B 20 -10.200 -3.397 4.553 1.00 0.23 C ATOM 1940 O VAL B 20 -11.425 -3.227 4.451 1.00 0.27 O ATOM 1941 CB VAL B 20 -8.832 -1.657 5.743 1.00 0.27 C ATOM 1942 CG1 VAL B 20 -7.911 -1.445 6.907 1.00 0.87 C ATOM 1943 CG2 VAL B 20 -8.072 -1.444 4.444 1.00 0.87 C ATOM 0 H VAL B 20 -7.510 -3.772 6.093 1.00 0.20 H new ATOM 0 HA VAL B 20 -10.176 -3.050 6.666 1.00 0.22 H new ATOM 0 HB VAL B 20 -9.645 -0.931 5.763 1.00 0.27 H new ATOM 0 HG11 VAL B 20 -7.463 -0.453 6.841 1.00 0.87 H new ATOM 0 HG12 VAL B 20 -8.474 -1.528 7.836 1.00 0.87 H new ATOM 0 HG13 VAL B 20 -7.125 -2.200 6.891 1.00 0.87 H new ATOM 0 HG21 VAL B 20 -7.648 -0.440 4.431 1.00 0.87 H new ATOM 0 HG22 VAL B 20 -7.270 -2.178 4.367 1.00 0.87 H new ATOM 0 HG23 VAL B 20 -8.753 -1.561 3.601 1.00 0.87 H new ATOM 1953 N PHE B 21 -9.450 -3.892 3.578 1.00 0.22 N ATOM 1954 CA PHE B 21 -10.061 -4.331 2.336 1.00 0.25 C ATOM 1955 C PHE B 21 -11.072 -5.434 2.610 1.00 0.29 C ATOM 1956 O PHE B 21 -12.206 -5.362 2.165 1.00 0.35 O ATOM 1957 CB PHE B 21 -9.022 -4.828 1.328 1.00 0.26 C ATOM 1958 CG PHE B 21 -9.647 -5.408 0.092 1.00 0.91 C ATOM 1959 CD1 PHE B 21 -10.025 -4.589 -0.953 1.00 1.59 C ATOM 1960 CD2 PHE B 21 -9.878 -6.770 -0.015 1.00 1.85 C ATOM 1961 CE1 PHE B 21 -10.619 -5.112 -2.081 1.00 2.17 C ATOM 1962 CE2 PHE B 21 -10.471 -7.300 -1.142 1.00 2.48 C ATOM 1963 CZ PHE B 21 -10.843 -6.470 -2.176 1.00 2.40 C ATOM 0 H PHE B 21 -8.436 -3.998 3.622 1.00 0.22 H new ATOM 0 HA PHE B 21 -10.564 -3.467 1.901 1.00 0.25 H new ATOM 0 HB2 PHE B 21 -8.370 -4.001 1.047 1.00 0.26 H new ATOM 0 HB3 PHE B 21 -8.394 -5.583 1.801 1.00 0.26 H new ATOM 0 HD1 PHE B 21 -9.853 -3.525 -0.886 1.00 1.59 H new ATOM 0 HD2 PHE B 21 -9.590 -7.425 0.794 1.00 1.85 H new ATOM 0 HE1 PHE B 21 -10.909 -4.459 -2.891 1.00 2.17 H new ATOM 0 HE2 PHE B 21 -10.643 -8.364 -1.213 1.00 2.48 H new ATOM 0 HZ PHE B 21 -11.309 -6.881 -3.059 1.00 2.40 H new ATOM 1973 N GLN B 22 -10.661 -6.432 3.377 1.00 0.30 N ATOM 1974 CA GLN B 22 -11.469 -7.620 3.597 1.00 0.37 C ATOM 1975 C GLN B 22 -12.747 -7.281 4.347 1.00 0.36 C ATOM 1976 O GLN B 22 -13.801 -7.828 4.055 1.00 0.44 O ATOM 1977 CB GLN B 22 -10.655 -8.655 4.373 1.00 0.47 C ATOM 1978 CG GLN B 22 -11.013 -10.102 4.072 1.00 1.11 C ATOM 1979 CD GLN B 22 -12.338 -10.546 4.667 1.00 1.98 C ATOM 1980 OE1 GLN B 22 -13.380 -10.487 4.014 1.00 2.68 O ATOM 1981 NE2 GLN B 22 -12.307 -10.982 5.917 1.00 2.65 N ATOM 0 H GLN B 22 -9.763 -6.441 3.862 1.00 0.30 H new ATOM 0 HA GLN B 22 -11.751 -8.034 2.629 1.00 0.37 H new ATOM 0 HB2 GLN B 22 -9.598 -8.504 4.154 1.00 0.47 H new ATOM 0 HB3 GLN B 22 -10.789 -8.476 5.440 1.00 0.47 H new ATOM 0 HG2 GLN B 22 -11.047 -10.240 2.991 1.00 1.11 H new ATOM 0 HG3 GLN B 22 -10.221 -10.748 4.451 1.00 1.11 H new ATOM 0 HE21 GLN B 22 -11.422 -11.015 6.424 1.00 2.65 H new ATOM 0 HE22 GLN B 22 -13.168 -11.285 6.373 1.00 2.65 H new ATOM 1990 N LYS B 23 -12.673 -6.362 5.293 1.00 0.35 N ATOM 1991 CA LYS B 23 -13.835 -6.069 6.110 1.00 0.39 C ATOM 1992 C LYS B 23 -14.926 -5.371 5.294 1.00 0.41 C ATOM 1993 O LYS B 23 -16.115 -5.616 5.505 1.00 0.49 O ATOM 1994 CB LYS B 23 -13.449 -5.246 7.340 1.00 0.41 C ATOM 1995 CG LYS B 23 -12.837 -3.912 7.028 1.00 0.42 C ATOM 1996 CD LYS B 23 -12.212 -3.322 8.266 1.00 0.63 C ATOM 1997 CE LYS B 23 -12.210 -1.816 8.191 1.00 0.64 C ATOM 1998 NZ LYS B 23 -11.618 -1.187 9.399 1.00 0.91 N ATOM 0 H LYS B 23 -11.839 -5.816 5.511 1.00 0.35 H new ATOM 0 HA LYS B 23 -14.243 -7.017 6.460 1.00 0.39 H new ATOM 0 HB2 LYS B 23 -14.338 -5.090 7.951 1.00 0.41 H new ATOM 0 HB3 LYS B 23 -12.746 -5.822 7.941 1.00 0.41 H new ATOM 0 HG2 LYS B 23 -12.083 -4.023 6.249 1.00 0.42 H new ATOM 0 HG3 LYS B 23 -13.599 -3.236 6.640 1.00 0.42 H new ATOM 0 HD2 LYS B 23 -12.763 -3.647 9.149 1.00 0.63 H new ATOM 0 HD3 LYS B 23 -11.191 -3.688 8.375 1.00 0.63 H new ATOM 0 HE2 LYS B 23 -11.651 -1.500 7.310 1.00 0.64 H new ATOM 0 HE3 LYS B 23 -13.233 -1.460 8.064 1.00 0.64 H new ATOM 0 HZ1 LYS B 23 -11.702 -0.153 9.328 1.00 0.91 H new ATOM 0 HZ2 LYS B 23 -12.123 -1.518 10.246 1.00 0.91 H new ATOM 0 HZ3 LYS B 23 -10.614 -1.449 9.470 1.00 0.91 H new ATOM 2012 N TYR B 24 -14.533 -4.509 4.360 1.00 0.36 N ATOM 2013 CA TYR B 24 -15.512 -3.837 3.509 1.00 0.39 C ATOM 2014 C TYR B 24 -15.861 -4.661 2.273 1.00 0.34 C ATOM 2015 O TYR B 24 -17.025 -4.759 1.893 1.00 0.40 O ATOM 2016 CB TYR B 24 -15.026 -2.451 3.113 1.00 0.46 C ATOM 2017 CG TYR B 24 -15.370 -1.394 4.138 1.00 0.86 C ATOM 2018 CD1 TYR B 24 -14.555 -1.161 5.236 1.00 1.66 C ATOM 2019 CD2 TYR B 24 -16.526 -0.635 4.007 1.00 1.52 C ATOM 2020 CE1 TYR B 24 -14.879 -0.200 6.174 1.00 1.99 C ATOM 2021 CE2 TYR B 24 -16.857 0.328 4.939 1.00 1.83 C ATOM 2022 CZ TYR B 24 -16.030 0.541 6.020 1.00 1.71 C ATOM 2023 OH TYR B 24 -16.358 1.497 6.954 1.00 2.15 O ATOM 0 H TYR B 24 -13.561 -4.262 4.174 1.00 0.36 H new ATOM 0 HA TYR B 24 -16.425 -3.730 4.094 1.00 0.39 H new ATOM 0 HB2 TYR B 24 -13.945 -2.476 2.973 1.00 0.46 H new ATOM 0 HB3 TYR B 24 -15.466 -2.177 2.154 1.00 0.46 H new ATOM 0 HD1 TYR B 24 -13.652 -1.741 5.360 1.00 1.66 H new ATOM 0 HD2 TYR B 24 -17.177 -0.801 3.161 1.00 1.52 H new ATOM 0 HE1 TYR B 24 -14.234 -0.031 7.023 1.00 1.99 H new ATOM 0 HE2 TYR B 24 -17.759 0.911 4.821 1.00 1.83 H new ATOM 0 HH TYR B 24 -16.016 2.368 6.664 1.00 2.15 H new ATOM 2033 N ALA B 25 -14.858 -5.254 1.649 1.00 0.29 N ATOM 2034 CA ALA B 25 -15.070 -6.094 0.478 1.00 0.34 C ATOM 2035 C ALA B 25 -15.754 -7.391 0.874 1.00 0.47 C ATOM 2036 O ALA B 25 -16.369 -8.069 0.051 1.00 0.58 O ATOM 2037 CB ALA B 25 -13.746 -6.387 -0.204 1.00 0.37 C ATOM 0 H ALA B 25 -13.882 -5.170 1.934 1.00 0.29 H new ATOM 0 HA ALA B 25 -15.714 -5.560 -0.221 1.00 0.34 H new ATOM 0 HB1 ALA B 25 -13.918 -7.016 -1.078 1.00 0.37 H new ATOM 0 HB2 ALA B 25 -13.282 -5.451 -0.516 1.00 0.37 H new ATOM 0 HB3 ALA B 25 -13.085 -6.905 0.491 1.00 0.37 H new ATOM 2043 N GLY B 26 -15.638 -7.725 2.148 1.00 0.50 N ATOM 2044 CA GLY B 26 -16.283 -8.905 2.679 1.00 0.64 C ATOM 2045 C GLY B 26 -17.789 -8.776 2.679 1.00 0.76 C ATOM 2046 O GLY B 26 -18.505 -9.773 2.747 1.00 0.96 O ATOM 0 H GLY B 26 -15.101 -7.192 2.832 1.00 0.50 H new ATOM 0 HA2 GLY B 26 -15.994 -9.774 2.087 1.00 0.64 H new ATOM 0 HA3 GLY B 26 -15.934 -9.082 3.696 1.00 0.64 H new ATOM 2147 N THR B 33 -14.450 -8.615 -3.570 1.00 0.66 N ATOM 2148 CA THR B 33 -14.221 -7.335 -4.219 1.00 0.45 C ATOM 2149 C THR B 33 -15.028 -6.258 -3.520 1.00 0.37 C ATOM 2150 O THR B 33 -16.130 -6.504 -3.030 1.00 0.44 O ATOM 2151 CB THR B 33 -14.600 -7.406 -5.715 1.00 0.45 C ATOM 2152 OG1 THR B 33 -14.480 -8.751 -6.193 1.00 0.66 O ATOM 2153 CG2 THR B 33 -13.690 -6.523 -6.542 1.00 0.43 C ATOM 0 HA THR B 33 -13.161 -7.090 -4.150 1.00 0.45 H new ATOM 0 HB THR B 33 -15.630 -7.063 -5.813 1.00 0.45 H new ATOM 0 HG1 THR B 33 -14.440 -9.366 -5.431 1.00 0.66 H new ATOM 0 HG21 THR B 33 -13.975 -6.589 -7.592 1.00 0.43 H new ATOM 0 HG22 THR B 33 -13.781 -5.490 -6.205 1.00 0.43 H new ATOM 0 HG23 THR B 33 -12.658 -6.853 -6.425 1.00 0.43 H new ATOM 2161 N LEU B 34 -14.462 -5.073 -3.463 1.00 0.32 N ATOM 2162 CA LEU B 34 -15.081 -3.951 -2.796 1.00 0.30 C ATOM 2163 C LEU B 34 -16.034 -3.266 -3.755 1.00 0.31 C ATOM 2164 O LEU B 34 -15.616 -2.587 -4.687 1.00 0.34 O ATOM 2165 CB LEU B 34 -13.969 -3.005 -2.330 1.00 0.29 C ATOM 2166 CG LEU B 34 -13.913 -2.725 -0.831 1.00 0.29 C ATOM 2167 CD1 LEU B 34 -12.583 -2.095 -0.452 1.00 0.45 C ATOM 2168 CD2 LEU B 34 -15.050 -1.817 -0.418 1.00 0.28 C ATOM 0 H LEU B 34 -13.556 -4.860 -3.880 1.00 0.32 H new ATOM 0 HA LEU B 34 -15.658 -4.272 -1.928 1.00 0.30 H new ATOM 0 HB2 LEU B 34 -13.011 -3.424 -2.637 1.00 0.29 H new ATOM 0 HB3 LEU B 34 -14.084 -2.055 -2.853 1.00 0.29 H new ATOM 0 HG LEU B 34 -14.012 -3.675 -0.306 1.00 0.29 H new ATOM 0 HD11 LEU B 34 -12.564 -1.903 0.621 1.00 0.45 H new ATOM 0 HD12 LEU B 34 -11.771 -2.773 -0.714 1.00 0.45 H new ATOM 0 HD13 LEU B 34 -12.459 -1.156 -0.991 1.00 0.45 H new ATOM 0 HD21 LEU B 34 -14.994 -1.628 0.654 1.00 0.28 H new ATOM 0 HD22 LEU B 34 -14.976 -0.873 -0.957 1.00 0.28 H new ATOM 0 HD23 LEU B 34 -16.001 -2.295 -0.653 1.00 0.28 H new ATOM 2180 N SER B 35 -17.322 -3.495 -3.530 1.00 0.31 N ATOM 2181 CA SER B 35 -18.359 -3.025 -4.430 1.00 0.33 C ATOM 2182 C SER B 35 -18.465 -1.507 -4.396 1.00 0.32 C ATOM 2183 O SER B 35 -17.906 -0.867 -3.505 1.00 0.30 O ATOM 2184 CB SER B 35 -19.695 -3.688 -4.077 1.00 0.37 C ATOM 2185 OG SER B 35 -20.706 -3.356 -5.013 1.00 0.40 O ATOM 0 H SER B 35 -17.672 -4.009 -2.722 1.00 0.31 H new ATOM 0 HA SER B 35 -18.094 -3.306 -5.449 1.00 0.33 H new ATOM 0 HB2 SER B 35 -19.568 -4.770 -4.047 1.00 0.37 H new ATOM 0 HB3 SER B 35 -20.005 -3.375 -3.080 1.00 0.37 H new ATOM 0 HG SER B 35 -21.544 -3.796 -4.759 1.00 0.40 H new ATOM 2191 N LYS B 36 -19.196 -0.946 -5.364 1.00 0.38 N ATOM 2192 CA LYS B 36 -19.240 0.499 -5.580 1.00 0.42 C ATOM 2193 C LYS B 36 -19.484 1.245 -4.280 1.00 0.36 C ATOM 2194 O LYS B 36 -18.614 1.961 -3.794 1.00 0.35 O ATOM 2195 CB LYS B 36 -20.336 0.852 -6.594 1.00 0.53 C ATOM 2196 CG LYS B 36 -20.463 2.344 -6.872 1.00 0.62 C ATOM 2197 CD LYS B 36 -19.181 2.909 -7.458 1.00 0.66 C ATOM 2198 CE LYS B 36 -19.297 4.394 -7.774 1.00 0.61 C ATOM 2199 NZ LYS B 36 -20.259 4.664 -8.875 1.00 0.65 N ATOM 0 H LYS B 36 -19.771 -1.480 -6.016 1.00 0.38 H new ATOM 0 HA LYS B 36 -18.271 0.806 -5.973 1.00 0.42 H new ATOM 0 HB2 LYS B 36 -20.131 0.334 -7.531 1.00 0.53 H new ATOM 0 HB3 LYS B 36 -21.292 0.478 -6.226 1.00 0.53 H new ATOM 0 HG2 LYS B 36 -21.288 2.518 -7.562 1.00 0.62 H new ATOM 0 HG3 LYS B 36 -20.705 2.869 -5.948 1.00 0.62 H new ATOM 0 HD2 LYS B 36 -18.363 2.752 -6.755 1.00 0.66 H new ATOM 0 HD3 LYS B 36 -18.929 2.364 -8.368 1.00 0.66 H new ATOM 0 HE2 LYS B 36 -19.613 4.930 -6.879 1.00 0.61 H new ATOM 0 HE3 LYS B 36 -18.316 4.782 -8.048 1.00 0.61 H new ATOM 0 HZ1 LYS B 36 -20.056 5.594 -9.293 1.00 0.65 H new ATOM 0 HZ2 LYS B 36 -20.167 3.929 -9.605 1.00 0.65 H new ATOM 0 HZ3 LYS B 36 -21.228 4.658 -8.498 1.00 0.65 H new ATOM 2213 N THR B 37 -20.639 1.015 -3.695 1.00 0.37 N ATOM 2214 CA THR B 37 -21.038 1.709 -2.489 1.00 0.38 C ATOM 2215 C THR B 37 -20.172 1.300 -1.300 1.00 0.36 C ATOM 2216 O THR B 37 -20.029 2.043 -0.324 1.00 0.38 O ATOM 2217 CB THR B 37 -22.502 1.394 -2.182 1.00 0.44 C ATOM 2218 OG1 THR B 37 -23.302 1.655 -3.345 1.00 0.47 O ATOM 2219 CG2 THR B 37 -23.005 2.226 -1.013 1.00 0.49 C ATOM 0 H THR B 37 -21.326 0.345 -4.040 1.00 0.37 H new ATOM 0 HA THR B 37 -20.909 2.779 -2.653 1.00 0.38 H new ATOM 0 HB THR B 37 -22.580 0.342 -1.909 1.00 0.44 H new ATOM 0 HG1 THR B 37 -24.240 1.451 -3.149 1.00 0.47 H new ATOM 0 HG21 THR B 37 -24.049 1.982 -0.816 1.00 0.49 H new ATOM 0 HG22 THR B 37 -22.408 2.008 -0.128 1.00 0.49 H new ATOM 0 HG23 THR B 37 -22.919 3.285 -1.257 1.00 0.49 H new ATOM 2227 N GLU B 38 -19.563 0.134 -1.408 1.00 0.34 N ATOM 2228 CA GLU B 38 -18.796 -0.424 -0.314 1.00 0.33 C ATOM 2229 C GLU B 38 -17.465 0.297 -0.182 1.00 0.33 C ATOM 2230 O GLU B 38 -16.970 0.479 0.929 1.00 0.48 O ATOM 2231 CB GLU B 38 -18.601 -1.922 -0.512 1.00 0.34 C ATOM 2232 CG GLU B 38 -19.912 -2.661 -0.755 1.00 0.47 C ATOM 2233 CD GLU B 38 -20.887 -2.569 0.409 1.00 1.27 C ATOM 2234 OE1 GLU B 38 -21.243 -1.442 0.822 1.00 2.16 O ATOM 2235 OE2 GLU B 38 -21.339 -3.627 0.886 1.00 1.96 O ATOM 0 H GLU B 38 -19.586 -0.446 -2.247 1.00 0.34 H new ATOM 0 HA GLU B 38 -19.348 -0.281 0.615 1.00 0.33 H new ATOM 0 HB2 GLU B 38 -17.933 -2.088 -1.357 1.00 0.34 H new ATOM 0 HB3 GLU B 38 -18.111 -2.340 0.368 1.00 0.34 H new ATOM 0 HG2 GLU B 38 -20.387 -2.257 -1.649 1.00 0.47 H new ATOM 0 HG3 GLU B 38 -19.696 -3.710 -0.955 1.00 0.47 H new ATOM 2242 N PHE B 39 -16.880 0.736 -1.302 1.00 0.29 N ATOM 2243 CA PHE B 39 -15.663 1.522 -1.203 1.00 0.31 C ATOM 2244 C PHE B 39 -16.012 2.971 -1.000 1.00 0.28 C ATOM 2245 O PHE B 39 -15.229 3.726 -0.453 1.00 0.27 O ATOM 2246 CB PHE B 39 -14.689 1.364 -2.381 1.00 0.53 C ATOM 2247 CG PHE B 39 -15.244 1.557 -3.758 1.00 0.81 C ATOM 2248 CD1 PHE B 39 -15.479 2.826 -4.251 1.00 1.76 C ATOM 2249 CD2 PHE B 39 -15.489 0.470 -4.572 1.00 1.78 C ATOM 2250 CE1 PHE B 39 -15.959 3.006 -5.529 1.00 2.61 C ATOM 2251 CE2 PHE B 39 -15.964 0.642 -5.854 1.00 2.66 C ATOM 2252 CZ PHE B 39 -16.202 1.912 -6.331 1.00 2.87 C ATOM 0 H PHE B 39 -17.219 0.565 -2.249 1.00 0.29 H new ATOM 0 HA PHE B 39 -15.125 1.129 -0.340 1.00 0.31 H new ATOM 0 HB2 PHE B 39 -13.874 2.074 -2.243 1.00 0.53 H new ATOM 0 HB3 PHE B 39 -14.255 0.366 -2.329 1.00 0.53 H new ATOM 0 HD1 PHE B 39 -15.284 3.686 -3.627 1.00 1.76 H new ATOM 0 HD2 PHE B 39 -15.306 -0.527 -4.200 1.00 1.78 H new ATOM 0 HE1 PHE B 39 -16.145 4.002 -5.902 1.00 2.61 H new ATOM 0 HE2 PHE B 39 -16.149 -0.216 -6.483 1.00 2.66 H new ATOM 0 HZ PHE B 39 -16.579 2.050 -7.334 1.00 2.87 H new ATOM 2262 N LEU B 40 -17.194 3.355 -1.439 1.00 0.33 N ATOM 2263 CA LEU B 40 -17.687 4.687 -1.173 1.00 0.37 C ATOM 2264 C LEU B 40 -17.757 4.932 0.327 1.00 0.40 C ATOM 2265 O LEU B 40 -17.262 5.941 0.833 1.00 0.43 O ATOM 2266 CB LEU B 40 -19.075 4.868 -1.769 1.00 0.43 C ATOM 2267 CG LEU B 40 -19.190 4.670 -3.280 1.00 0.50 C ATOM 2268 CD1 LEU B 40 -20.473 5.286 -3.807 1.00 1.07 C ATOM 2269 CD2 LEU B 40 -17.981 5.238 -3.993 1.00 0.46 C ATOM 0 H LEU B 40 -17.827 2.765 -1.979 1.00 0.33 H new ATOM 0 HA LEU B 40 -17.001 5.401 -1.629 1.00 0.37 H new ATOM 0 HB2 LEU B 40 -19.752 4.169 -1.279 1.00 0.43 H new ATOM 0 HB3 LEU B 40 -19.424 5.872 -1.527 1.00 0.43 H new ATOM 0 HG LEU B 40 -19.223 3.599 -3.481 1.00 0.50 H new ATOM 0 HD11 LEU B 40 -20.534 5.133 -4.885 1.00 1.07 H new ATOM 0 HD12 LEU B 40 -21.329 4.813 -3.324 1.00 1.07 H new ATOM 0 HD13 LEU B 40 -20.479 6.354 -3.591 1.00 1.07 H new ATOM 0 HD21 LEU B 40 -18.087 5.085 -5.067 1.00 0.46 H new ATOM 0 HD22 LEU B 40 -17.904 6.305 -3.785 1.00 0.46 H new ATOM 0 HD23 LEU B 40 -17.081 4.734 -3.641 1.00 0.46 H new ATOM 2281 N SER B 41 -18.389 4.003 1.028 1.00 0.42 N ATOM 2282 CA SER B 41 -18.478 4.063 2.475 1.00 0.52 C ATOM 2283 C SER B 41 -17.090 3.914 3.091 1.00 0.45 C ATOM 2284 O SER B 41 -16.706 4.709 3.943 1.00 0.47 O ATOM 2285 CB SER B 41 -19.435 2.985 2.990 1.00 0.67 C ATOM 2286 OG SER B 41 -19.237 1.758 2.306 1.00 1.40 O ATOM 0 H SER B 41 -18.850 3.194 0.612 1.00 0.42 H new ATOM 0 HA SER B 41 -18.876 5.034 2.771 1.00 0.52 H new ATOM 0 HB2 SER B 41 -19.281 2.838 4.059 1.00 0.67 H new ATOM 0 HB3 SER B 41 -20.465 3.316 2.859 1.00 0.67 H new ATOM 0 HG SER B 41 -19.648 1.809 1.418 1.00 1.40 H new ATOM 2292 N PHE B 42 -16.343 2.907 2.628 1.00 0.42 N ATOM 2293 CA PHE B 42 -14.945 2.711 3.023 1.00 0.46 C ATOM 2294 C PHE B 42 -14.169 4.009 2.934 1.00 0.29 C ATOM 2295 O PHE B 42 -13.598 4.473 3.903 1.00 0.42 O ATOM 2296 CB PHE B 42 -14.277 1.696 2.099 1.00 0.80 C ATOM 2297 CG PHE B 42 -12.835 1.443 2.442 1.00 1.89 C ATOM 2298 CD1 PHE B 42 -11.827 2.218 1.891 1.00 2.77 C ATOM 2299 CD2 PHE B 42 -12.492 0.444 3.332 1.00 2.69 C ATOM 2300 CE1 PHE B 42 -10.507 2.000 2.224 1.00 3.80 C ATOM 2301 CE2 PHE B 42 -11.175 0.217 3.666 1.00 3.73 C ATOM 2302 CZ PHE B 42 -10.181 0.997 3.113 1.00 4.13 C ATOM 0 H PHE B 42 -16.689 2.207 1.971 1.00 0.42 H new ATOM 0 HA PHE B 42 -14.941 2.352 4.052 1.00 0.46 H new ATOM 0 HB2 PHE B 42 -14.826 0.755 2.146 1.00 0.80 H new ATOM 0 HB3 PHE B 42 -14.342 2.052 1.071 1.00 0.80 H new ATOM 0 HD1 PHE B 42 -12.078 3.002 1.192 1.00 2.77 H new ATOM 0 HD2 PHE B 42 -13.266 -0.167 3.772 1.00 2.69 H new ATOM 0 HE1 PHE B 42 -9.731 2.613 1.790 1.00 3.80 H new ATOM 0 HE2 PHE B 42 -10.921 -0.571 4.360 1.00 3.73 H new ATOM 0 HZ PHE B 42 -9.148 0.823 3.376 1.00 4.13 H new ATOM 2312 N MET B 43 -14.143 4.575 1.752 1.00 0.26 N ATOM 2313 CA MET B 43 -13.382 5.785 1.500 1.00 0.29 C ATOM 2314 C MET B 43 -13.846 6.953 2.362 1.00 0.29 C ATOM 2315 O MET B 43 -13.066 7.834 2.678 1.00 0.37 O ATOM 2316 CB MET B 43 -13.475 6.161 0.033 1.00 0.38 C ATOM 2317 CG MET B 43 -12.683 5.238 -0.885 1.00 0.62 C ATOM 2318 SD MET B 43 -13.012 5.522 -2.636 1.00 1.22 S ATOM 2319 CE MET B 43 -11.995 4.253 -3.383 1.00 2.25 C ATOM 0 H MET B 43 -14.644 4.216 0.939 1.00 0.26 H new ATOM 0 HA MET B 43 -12.346 5.575 1.765 1.00 0.29 H new ATOM 0 HB2 MET B 43 -14.522 6.150 -0.270 1.00 0.38 H new ATOM 0 HB3 MET B 43 -13.116 7.182 -0.095 1.00 0.38 H new ATOM 0 HG2 MET B 43 -11.618 5.374 -0.695 1.00 0.62 H new ATOM 0 HG3 MET B 43 -12.920 4.203 -0.641 1.00 0.62 H new ATOM 0 HE1 MET B 43 -11.212 4.719 -3.981 1.00 2.25 H new ATOM 0 HE2 MET B 43 -11.540 3.644 -2.601 1.00 2.25 H new ATOM 0 HE3 MET B 43 -12.612 3.621 -4.022 1.00 2.25 H new ATOM 2329 N ASN B 44 -15.106 6.972 2.746 1.00 0.29 N ATOM 2330 CA ASN B 44 -15.615 8.082 3.544 1.00 0.33 C ATOM 2331 C ASN B 44 -15.444 7.824 5.038 1.00 0.32 C ATOM 2332 O ASN B 44 -15.573 8.734 5.851 1.00 0.39 O ATOM 2333 CB ASN B 44 -17.075 8.345 3.198 1.00 0.42 C ATOM 2334 CG ASN B 44 -17.663 9.554 3.905 1.00 1.05 C ATOM 2335 OD1 ASN B 44 -17.496 10.690 3.459 1.00 1.53 O ATOM 2336 ND2 ASN B 44 -18.387 9.316 4.990 1.00 1.83 N ATOM 0 H ASN B 44 -15.790 6.248 2.526 1.00 0.29 H new ATOM 0 HA ASN B 44 -15.031 8.971 3.303 1.00 0.33 H new ATOM 0 HB2 ASN B 44 -17.164 8.487 2.121 1.00 0.42 H new ATOM 0 HB3 ASN B 44 -17.664 7.464 3.453 1.00 0.42 H new ATOM 0 HD21 ASN B 44 -18.830 10.089 5.487 1.00 1.83 H new ATOM 0 HD22 ASN B 44 -18.501 8.360 5.327 1.00 1.83 H new ATOM 2343 N THR B 45 -15.142 6.587 5.399 1.00 0.27 N ATOM 2344 CA THR B 45 -14.888 6.255 6.798 1.00 0.29 C ATOM 2345 C THR B 45 -13.404 6.064 7.045 1.00 0.28 C ATOM 2346 O THR B 45 -12.772 6.805 7.801 1.00 0.34 O ATOM 2347 CB THR B 45 -15.612 4.964 7.222 1.00 0.30 C ATOM 2348 OG1 THR B 45 -15.406 3.939 6.240 1.00 0.34 O ATOM 2349 CG2 THR B 45 -17.100 5.206 7.410 1.00 0.34 C ATOM 0 H THR B 45 -15.066 5.801 4.753 1.00 0.27 H new ATOM 0 HA THR B 45 -15.267 7.090 7.387 1.00 0.29 H new ATOM 0 HB THR B 45 -15.195 4.641 8.176 1.00 0.30 H new ATOM 0 HG1 THR B 45 -15.913 4.155 5.430 1.00 0.34 H new ATOM 0 HG21 THR B 45 -17.585 4.277 7.709 1.00 0.34 H new ATOM 0 HG22 THR B 45 -17.251 5.959 8.183 1.00 0.34 H new ATOM 0 HG23 THR B 45 -17.533 5.556 6.473 1.00 0.34 H new ATOM 2357 N GLU B 46 -12.863 5.076 6.361 1.00 0.23 N ATOM 2358 CA GLU B 46 -11.488 4.671 6.510 1.00 0.25 C ATOM 2359 C GLU B 46 -10.559 5.591 5.726 1.00 0.25 C ATOM 2360 O GLU B 46 -9.347 5.508 5.855 1.00 0.34 O ATOM 2361 CB GLU B 46 -11.321 3.233 6.030 1.00 0.29 C ATOM 2362 CG GLU B 46 -12.247 2.242 6.719 1.00 0.57 C ATOM 2363 CD GLU B 46 -11.961 2.104 8.201 1.00 1.17 C ATOM 2364 OE1 GLU B 46 -11.098 1.278 8.567 1.00 1.70 O ATOM 2365 OE2 GLU B 46 -12.608 2.805 9.004 1.00 1.68 O ATOM 0 H GLU B 46 -13.379 4.525 5.675 1.00 0.23 H new ATOM 0 HA GLU B 46 -11.222 4.737 7.565 1.00 0.25 H new ATOM 0 HB2 GLU B 46 -11.500 3.196 4.955 1.00 0.29 H new ATOM 0 HB3 GLU B 46 -10.288 2.924 6.192 1.00 0.29 H new ATOM 0 HG2 GLU B 46 -13.280 2.561 6.581 1.00 0.57 H new ATOM 0 HG3 GLU B 46 -12.148 1.267 6.242 1.00 0.57 H new ATOM 2372 N LEU B 47 -11.121 6.447 4.886 1.00 0.25 N ATOM 2373 CA LEU B 47 -10.318 7.425 4.163 1.00 0.26 C ATOM 2374 C LEU B 47 -10.936 8.803 4.244 1.00 0.28 C ATOM 2375 O LEU B 47 -10.667 9.665 3.408 1.00 0.30 O ATOM 2376 CB LEU B 47 -10.156 7.018 2.708 1.00 0.26 C ATOM 2377 CG LEU B 47 -9.394 5.721 2.500 1.00 0.27 C ATOM 2378 CD1 LEU B 47 -9.452 5.312 1.044 1.00 0.32 C ATOM 2379 CD2 LEU B 47 -7.958 5.886 2.972 1.00 0.28 C ATOM 0 H LEU B 47 -12.121 6.486 4.688 1.00 0.25 H new ATOM 0 HA LEU B 47 -9.335 7.457 4.633 1.00 0.26 H new ATOM 0 HB2 LEU B 47 -11.144 6.921 2.259 1.00 0.26 H new ATOM 0 HB3 LEU B 47 -9.641 7.817 2.175 1.00 0.26 H new ATOM 0 HG LEU B 47 -9.857 4.929 3.089 1.00 0.27 H new ATOM 0 HD11 LEU B 47 -8.903 4.381 0.905 1.00 0.32 H new ATOM 0 HD12 LEU B 47 -10.491 5.168 0.748 1.00 0.32 H new ATOM 0 HD13 LEU B 47 -9.004 6.092 0.429 1.00 0.32 H new ATOM 0 HD21 LEU B 47 -7.416 4.953 2.821 1.00 0.28 H new ATOM 0 HD22 LEU B 47 -7.477 6.682 2.403 1.00 0.28 H new ATOM 0 HD23 LEU B 47 -7.950 6.142 4.031 1.00 0.28 H new ATOM 2391 N ALA B 48 -11.801 8.985 5.230 1.00 0.32 N ATOM 2392 CA ALA B 48 -12.396 10.278 5.521 1.00 0.37 C ATOM 2393 C ALA B 48 -11.358 11.401 5.558 1.00 0.39 C ATOM 2394 O ALA B 48 -11.679 12.549 5.251 1.00 0.44 O ATOM 2395 CB ALA B 48 -13.142 10.203 6.837 1.00 0.41 C ATOM 0 H ALA B 48 -12.110 8.238 5.852 1.00 0.32 H new ATOM 0 HA ALA B 48 -13.089 10.517 4.715 1.00 0.37 H new ATOM 0 HB1 ALA B 48 -13.589 11.172 7.057 1.00 0.41 H new ATOM 0 HB2 ALA B 48 -13.926 9.449 6.768 1.00 0.41 H new ATOM 0 HB3 ALA B 48 -12.448 9.934 7.634 1.00 0.41 H new ATOM 2401 N ALA B 49 -10.121 11.069 5.928 1.00 0.38 N ATOM 2402 CA ALA B 49 -9.032 12.040 5.925 1.00 0.41 C ATOM 2403 C ALA B 49 -8.864 12.647 4.541 1.00 0.41 C ATOM 2404 O ALA B 49 -8.695 13.854 4.387 1.00 0.47 O ATOM 2405 CB ALA B 49 -7.735 11.376 6.355 1.00 0.44 C ATOM 0 H ALA B 49 -9.850 10.134 6.233 1.00 0.38 H new ATOM 0 HA ALA B 49 -9.278 12.834 6.630 1.00 0.41 H new ATOM 0 HB1 ALA B 49 -6.930 12.111 6.349 1.00 0.44 H new ATOM 0 HB2 ALA B 49 -7.849 10.972 7.361 1.00 0.44 H new ATOM 0 HB3 ALA B 49 -7.494 10.568 5.665 1.00 0.44 H new ATOM 2411 N PHE B 50 -8.929 11.789 3.542 1.00 0.36 N ATOM 2412 CA PHE B 50 -8.778 12.200 2.161 1.00 0.37 C ATOM 2413 C PHE B 50 -10.113 12.660 1.587 1.00 0.38 C ATOM 2414 O PHE B 50 -10.235 13.771 1.068 1.00 0.44 O ATOM 2415 CB PHE B 50 -8.245 11.027 1.341 1.00 0.35 C ATOM 2416 CG PHE B 50 -7.967 11.372 -0.095 1.00 0.70 C ATOM 2417 CD1 PHE B 50 -6.738 11.887 -0.471 1.00 1.33 C ATOM 2418 CD2 PHE B 50 -8.937 11.184 -1.067 1.00 1.63 C ATOM 2419 CE1 PHE B 50 -6.481 12.208 -1.789 1.00 1.67 C ATOM 2420 CE2 PHE B 50 -8.685 11.505 -2.385 1.00 2.10 C ATOM 2421 CZ PHE B 50 -7.457 12.018 -2.747 1.00 1.80 C ATOM 0 H PHE B 50 -9.088 10.789 3.665 1.00 0.36 H new ATOM 0 HA PHE B 50 -8.077 13.033 2.117 1.00 0.37 H new ATOM 0 HB2 PHE B 50 -7.328 10.660 1.802 1.00 0.35 H new ATOM 0 HB3 PHE B 50 -8.968 10.212 1.376 1.00 0.35 H new ATOM 0 HD1 PHE B 50 -5.972 12.039 0.275 1.00 1.33 H new ATOM 0 HD2 PHE B 50 -9.900 10.782 -0.790 1.00 1.63 H new ATOM 0 HE1 PHE B 50 -5.518 12.607 -2.070 1.00 1.67 H new ATOM 0 HE2 PHE B 50 -9.449 11.355 -3.133 1.00 2.10 H new ATOM 0 HZ PHE B 50 -7.259 12.271 -3.778 1.00 1.80 H new ATOM 2431 N THR B 51 -11.108 11.795 1.712 1.00 0.36 N ATOM 2432 CA THR B 51 -12.403 11.978 1.077 1.00 0.40 C ATOM 2433 C THR B 51 -13.096 13.262 1.515 1.00 0.45 C ATOM 2434 O THR B 51 -13.526 14.057 0.682 1.00 0.53 O ATOM 2435 CB THR B 51 -13.306 10.775 1.386 1.00 0.39 C ATOM 2436 OG1 THR B 51 -12.747 9.599 0.792 1.00 0.39 O ATOM 2437 CG2 THR B 51 -14.725 10.988 0.882 1.00 0.49 C ATOM 0 H THR B 51 -11.038 10.939 2.262 1.00 0.36 H new ATOM 0 HA THR B 51 -12.227 12.055 0.004 1.00 0.40 H new ATOM 0 HB THR B 51 -13.358 10.659 2.469 1.00 0.39 H new ATOM 0 HG1 THR B 51 -12.604 8.919 1.484 1.00 0.39 H new ATOM 0 HG21 THR B 51 -15.331 10.114 1.121 1.00 0.49 H new ATOM 0 HG22 THR B 51 -15.153 11.868 1.361 1.00 0.49 H new ATOM 0 HG23 THR B 51 -14.709 11.135 -0.198 1.00 0.49 H new ATOM 2445 N LYS B 52 -13.187 13.478 2.818 1.00 0.47 N ATOM 2446 CA LYS B 52 -13.935 14.612 3.336 1.00 0.60 C ATOM 2447 C LYS B 52 -13.150 15.902 3.164 1.00 0.69 C ATOM 2448 O LYS B 52 -13.709 16.999 3.200 1.00 0.84 O ATOM 2449 CB LYS B 52 -14.286 14.389 4.802 1.00 0.70 C ATOM 2450 CG LYS B 52 -15.164 13.169 5.012 1.00 0.78 C ATOM 2451 CD LYS B 52 -15.564 12.998 6.464 1.00 1.07 C ATOM 2452 CE LYS B 52 -16.404 11.748 6.647 1.00 1.24 C ATOM 2453 NZ LYS B 52 -16.766 11.520 8.069 1.00 1.82 N ATOM 0 H LYS B 52 -12.756 12.889 3.530 1.00 0.47 H new ATOM 0 HA LYS B 52 -14.860 14.702 2.767 1.00 0.60 H new ATOM 0 HB2 LYS B 52 -13.368 14.275 5.378 1.00 0.70 H new ATOM 0 HB3 LYS B 52 -14.797 15.271 5.188 1.00 0.70 H new ATOM 0 HG2 LYS B 52 -16.060 13.258 4.398 1.00 0.78 H new ATOM 0 HG3 LYS B 52 -14.633 12.279 4.675 1.00 0.78 H new ATOM 0 HD2 LYS B 52 -14.672 12.937 7.087 1.00 1.07 H new ATOM 0 HD3 LYS B 52 -16.126 13.871 6.797 1.00 1.07 H new ATOM 0 HE2 LYS B 52 -17.313 11.832 6.051 1.00 1.24 H new ATOM 0 HE3 LYS B 52 -15.855 10.885 6.270 1.00 1.24 H new ATOM 0 HZ1 LYS B 52 -17.339 10.656 8.147 1.00 1.82 H new ATOM 0 HZ2 LYS B 52 -15.900 11.413 8.635 1.00 1.82 H new ATOM 0 HZ3 LYS B 52 -17.313 12.331 8.422 1.00 1.82 H new ATOM 2546 N GLY B 58 -18.187 12.260 -5.996 1.00 0.67 N ATOM 2547 CA GLY B 58 -17.825 11.937 -7.360 1.00 0.56 C ATOM 2548 C GLY B 58 -16.360 11.581 -7.494 1.00 0.49 C ATOM 2549 O GLY B 58 -15.954 10.955 -8.466 1.00 0.48 O ATOM 0 HA2 GLY B 58 -18.433 11.102 -7.707 1.00 0.56 H new ATOM 0 HA3 GLY B 58 -18.051 12.786 -8.005 1.00 0.56 H new ATOM 2553 N VAL B 59 -15.561 11.966 -6.508 1.00 0.52 N ATOM 2554 CA VAL B 59 -14.138 11.665 -6.531 1.00 0.52 C ATOM 2555 C VAL B 59 -13.895 10.175 -6.384 1.00 0.49 C ATOM 2556 O VAL B 59 -13.063 9.601 -7.086 1.00 0.49 O ATOM 2557 CB VAL B 59 -13.359 12.423 -5.432 1.00 0.61 C ATOM 2558 CG1 VAL B 59 -13.932 12.139 -4.052 1.00 0.65 C ATOM 2559 CG2 VAL B 59 -11.887 12.050 -5.472 1.00 0.66 C ATOM 0 H VAL B 59 -15.873 12.485 -5.687 1.00 0.52 H new ATOM 0 HA VAL B 59 -13.769 12.000 -7.500 1.00 0.52 H new ATOM 0 HB VAL B 59 -13.461 13.490 -5.629 1.00 0.61 H new ATOM 0 HG11 VAL B 59 -13.362 12.687 -3.302 1.00 0.65 H new ATOM 0 HG12 VAL B 59 -14.974 12.456 -4.019 1.00 0.65 H new ATOM 0 HG13 VAL B 59 -13.871 11.071 -3.845 1.00 0.65 H new ATOM 0 HG21 VAL B 59 -11.353 12.592 -4.692 1.00 0.66 H new ATOM 0 HG22 VAL B 59 -11.779 10.978 -5.308 1.00 0.66 H new ATOM 0 HG23 VAL B 59 -11.472 12.312 -6.445 1.00 0.66 H new ATOM 2569 N LEU B 60 -14.645 9.546 -5.498 1.00 0.48 N ATOM 2570 CA LEU B 60 -14.502 8.119 -5.269 1.00 0.46 C ATOM 2571 C LEU B 60 -14.980 7.368 -6.502 1.00 0.43 C ATOM 2572 O LEU B 60 -14.649 6.206 -6.721 1.00 0.41 O ATOM 2573 CB LEU B 60 -15.307 7.688 -4.050 1.00 0.48 C ATOM 2574 CG LEU B 60 -15.211 8.622 -2.838 1.00 0.52 C ATOM 2575 CD1 LEU B 60 -16.044 8.086 -1.684 1.00 0.51 C ATOM 2576 CD2 LEU B 60 -13.763 8.809 -2.415 1.00 0.52 C ATOM 0 H LEU B 60 -15.358 9.999 -4.926 1.00 0.48 H new ATOM 0 HA LEU B 60 -13.453 7.890 -5.082 1.00 0.46 H new ATOM 0 HB2 LEU B 60 -16.354 7.601 -4.339 1.00 0.48 H new ATOM 0 HB3 LEU B 60 -14.976 6.694 -3.749 1.00 0.48 H new ATOM 0 HG LEU B 60 -15.608 9.596 -3.124 1.00 0.52 H new ATOM 0 HD11 LEU B 60 -15.964 8.762 -0.833 1.00 0.51 H new ATOM 0 HD12 LEU B 60 -17.087 8.012 -1.992 1.00 0.51 H new ATOM 0 HD13 LEU B 60 -15.679 7.099 -1.399 1.00 0.51 H new ATOM 0 HD21 LEU B 60 -13.719 9.475 -1.553 1.00 0.52 H new ATOM 0 HD22 LEU B 60 -13.334 7.843 -2.149 1.00 0.52 H new ATOM 0 HD23 LEU B 60 -13.196 9.243 -3.239 1.00 0.52 H new ATOM 2588 N ASP B 61 -15.754 8.073 -7.304 1.00 0.46 N ATOM 2589 CA ASP B 61 -16.258 7.554 -8.569 1.00 0.46 C ATOM 2590 C ASP B 61 -15.140 7.547 -9.591 1.00 0.47 C ATOM 2591 O ASP B 61 -15.001 6.619 -10.391 1.00 0.51 O ATOM 2592 CB ASP B 61 -17.409 8.427 -9.067 1.00 0.47 C ATOM 2593 CG ASP B 61 -18.268 7.745 -10.116 1.00 0.48 C ATOM 2594 OD1 ASP B 61 -19.258 7.079 -9.739 1.00 1.22 O ATOM 2595 OD2 ASP B 61 -17.973 7.891 -11.321 1.00 1.19 O ATOM 0 H ASP B 61 -16.054 9.026 -7.099 1.00 0.46 H new ATOM 0 HA ASP B 61 -16.622 6.537 -8.423 1.00 0.46 H new ATOM 0 HB2 ASP B 61 -18.036 8.708 -8.221 1.00 0.47 H new ATOM 0 HB3 ASP B 61 -17.003 9.349 -9.483 1.00 0.47 H new ATOM 2600 N ARG B 62 -14.340 8.593 -9.541 1.00 0.47 N ATOM 2601 CA ARG B 62 -13.177 8.715 -10.396 1.00 0.51 C ATOM 2602 C ARG B 62 -12.141 7.683 -9.977 1.00 0.50 C ATOM 2603 O ARG B 62 -11.451 7.100 -10.810 1.00 0.56 O ATOM 2604 CB ARG B 62 -12.613 10.126 -10.285 1.00 0.55 C ATOM 2605 CG ARG B 62 -13.684 11.196 -10.397 1.00 0.55 C ATOM 2606 CD ARG B 62 -13.149 12.557 -10.020 1.00 0.62 C ATOM 2607 NE ARG B 62 -14.199 13.568 -9.982 1.00 1.45 N ATOM 2608 CZ ARG B 62 -14.025 14.804 -9.523 1.00 1.97 C ATOM 2609 NH1 ARG B 62 -12.830 15.191 -9.094 1.00 1.66 N ATOM 2610 NH2 ARG B 62 -15.043 15.651 -9.506 1.00 3.02 N ATOM 0 H ARG B 62 -14.477 9.381 -8.908 1.00 0.47 H new ATOM 0 HA ARG B 62 -13.452 8.534 -11.435 1.00 0.51 H new ATOM 0 HB2 ARG B 62 -12.097 10.233 -9.331 1.00 0.55 H new ATOM 0 HB3 ARG B 62 -11.870 10.278 -11.068 1.00 0.55 H new ATOM 0 HG2 ARG B 62 -14.066 11.224 -11.417 1.00 0.55 H new ATOM 0 HG3 ARG B 62 -14.523 10.942 -9.749 1.00 0.55 H new ATOM 0 HD2 ARG B 62 -12.667 12.499 -9.044 1.00 0.62 H new ATOM 0 HD3 ARG B 62 -12.384 12.856 -10.736 1.00 0.62 H new ATOM 0 HE ARG B 62 -15.123 13.312 -10.329 1.00 1.45 H new ATOM 0 HH11 ARG B 62 -12.045 14.540 -9.116 1.00 1.66 H new ATOM 0 HH12 ARG B 62 -12.697 16.139 -8.742 1.00 1.66 H new ATOM 0 HH21 ARG B 62 -15.958 15.355 -9.845 1.00 3.02 H new ATOM 0 HH22 ARG B 62 -14.912 16.599 -9.154 1.00 3.02 H new ATOM 2624 N MET B 63 -12.055 7.457 -8.667 1.00 0.45 N ATOM 2625 CA MET B 63 -11.221 6.393 -8.123 1.00 0.44 C ATOM 2626 C MET B 63 -11.700 5.068 -8.648 1.00 0.41 C ATOM 2627 O MET B 63 -10.922 4.306 -9.209 1.00 0.42 O ATOM 2628 CB MET B 63 -11.284 6.358 -6.602 1.00 0.43 C ATOM 2629 CG MET B 63 -10.962 7.686 -5.966 1.00 0.49 C ATOM 2630 SD MET B 63 -9.230 8.140 -6.193 1.00 0.63 S ATOM 2631 CE MET B 63 -9.165 9.693 -5.311 1.00 1.54 C ATOM 0 H MET B 63 -12.555 8.000 -7.963 1.00 0.45 H new ATOM 0 HA MET B 63 -10.192 6.585 -8.428 1.00 0.44 H new ATOM 0 HB2 MET B 63 -12.282 6.046 -6.293 1.00 0.43 H new ATOM 0 HB3 MET B 63 -10.586 5.606 -6.233 1.00 0.43 H new ATOM 0 HG2 MET B 63 -11.599 8.459 -6.397 1.00 0.49 H new ATOM 0 HG3 MET B 63 -11.189 7.643 -4.901 1.00 0.49 H new ATOM 0 HE1 MET B 63 -8.136 9.904 -5.022 1.00 1.54 H new ATOM 0 HE2 MET B 63 -9.533 10.492 -5.954 1.00 1.54 H new ATOM 0 HE3 MET B 63 -9.787 9.631 -4.418 1.00 1.54 H new ATOM 2641 N MET B 64 -12.995 4.823 -8.469 1.00 0.41 N ATOM 2642 CA MET B 64 -13.632 3.601 -8.934 1.00 0.42 C ATOM 2643 C MET B 64 -13.123 3.210 -10.295 1.00 0.44 C ATOM 2644 O MET B 64 -12.503 2.182 -10.449 1.00 0.41 O ATOM 2645 CB MET B 64 -15.148 3.777 -9.015 1.00 0.55 C ATOM 2646 CG MET B 64 -15.854 2.612 -9.695 1.00 0.65 C ATOM 2647 SD MET B 64 -17.519 3.037 -10.239 1.00 1.87 S ATOM 2648 CE MET B 64 -18.054 1.480 -10.943 1.00 2.41 C ATOM 0 H MET B 64 -13.630 5.468 -7.997 1.00 0.41 H new ATOM 0 HA MET B 64 -13.389 2.818 -8.216 1.00 0.42 H new ATOM 0 HB2 MET B 64 -15.547 3.897 -8.008 1.00 0.55 H new ATOM 0 HB3 MET B 64 -15.372 4.695 -9.558 1.00 0.55 H new ATOM 0 HG2 MET B 64 -15.267 2.287 -10.554 1.00 0.65 H new ATOM 0 HG3 MET B 64 -15.904 1.769 -9.005 1.00 0.65 H new ATOM 0 HE1 MET B 64 -19.026 1.611 -11.418 1.00 2.41 H new ATOM 0 HE2 MET B 64 -17.329 1.148 -11.686 1.00 2.41 H new ATOM 0 HE3 MET B 64 -18.133 0.732 -10.154 1.00 2.41 H new ATOM 2658 N LYS B 65 -13.343 4.062 -11.262 1.00 0.52 N ATOM 2659 CA LYS B 65 -13.088 3.693 -12.646 1.00 0.56 C ATOM 2660 C LYS B 65 -11.609 3.749 -13.008 1.00 0.54 C ATOM 2661 O LYS B 65 -11.176 3.110 -13.965 1.00 0.60 O ATOM 2662 CB LYS B 65 -13.943 4.540 -13.566 1.00 0.67 C ATOM 2663 CG LYS B 65 -15.422 4.312 -13.307 1.00 0.79 C ATOM 2664 CD LYS B 65 -15.826 2.854 -13.527 1.00 0.86 C ATOM 2665 CE LYS B 65 -15.424 2.339 -14.905 1.00 1.57 C ATOM 2666 NZ LYS B 65 -15.752 0.896 -15.073 1.00 2.49 N ATOM 0 H LYS B 65 -13.695 5.010 -11.128 1.00 0.52 H new ATOM 0 HA LYS B 65 -13.372 2.649 -12.777 1.00 0.56 H new ATOM 0 HB2 LYS B 65 -13.704 5.594 -13.421 1.00 0.67 H new ATOM 0 HB3 LYS B 65 -13.712 4.301 -14.604 1.00 0.67 H new ATOM 0 HG2 LYS B 65 -15.660 4.603 -12.284 1.00 0.79 H new ATOM 0 HG3 LYS B 65 -16.008 4.953 -13.965 1.00 0.79 H new ATOM 0 HD2 LYS B 65 -15.363 2.232 -12.761 1.00 0.86 H new ATOM 0 HD3 LYS B 65 -16.905 2.757 -13.407 1.00 0.86 H new ATOM 0 HE2 LYS B 65 -15.935 2.920 -15.673 1.00 1.57 H new ATOM 0 HE3 LYS B 65 -14.354 2.488 -15.051 1.00 1.57 H new ATOM 0 HZ1 LYS B 65 -15.464 0.583 -16.022 1.00 2.49 H new ATOM 0 HZ2 LYS B 65 -15.245 0.339 -14.356 1.00 2.49 H new ATOM 0 HZ3 LYS B 65 -16.776 0.757 -14.959 1.00 2.49 H new ATOM 2680 N LYS B 66 -10.839 4.509 -12.247 1.00 0.50 N ATOM 2681 CA LYS B 66 -9.391 4.494 -12.391 1.00 0.52 C ATOM 2682 C LYS B 66 -8.836 3.154 -11.926 1.00 0.48 C ATOM 2683 O LYS B 66 -7.932 2.587 -12.542 1.00 0.54 O ATOM 2684 CB LYS B 66 -8.764 5.617 -11.560 1.00 0.55 C ATOM 2685 CG LYS B 66 -7.245 5.542 -11.474 1.00 0.91 C ATOM 2686 CD LYS B 66 -6.674 6.641 -10.587 1.00 0.96 C ATOM 2687 CE LYS B 66 -7.329 6.659 -9.212 1.00 0.73 C ATOM 2688 NZ LYS B 66 -6.715 7.670 -8.314 1.00 1.47 N ATOM 0 H LYS B 66 -11.189 5.141 -11.527 1.00 0.50 H new ATOM 0 HA LYS B 66 -9.145 4.645 -13.442 1.00 0.52 H new ATOM 0 HB2 LYS B 66 -9.047 6.577 -11.991 1.00 0.55 H new ATOM 0 HB3 LYS B 66 -9.178 5.585 -10.552 1.00 0.55 H new ATOM 0 HG2 LYS B 66 -6.951 4.569 -11.082 1.00 0.91 H new ATOM 0 HG3 LYS B 66 -6.820 5.624 -12.474 1.00 0.91 H new ATOM 0 HD2 LYS B 66 -5.600 6.496 -10.475 1.00 0.96 H new ATOM 0 HD3 LYS B 66 -6.817 7.608 -11.070 1.00 0.96 H new ATOM 0 HE2 LYS B 66 -8.393 6.870 -9.320 1.00 0.73 H new ATOM 0 HE3 LYS B 66 -7.244 5.672 -8.758 1.00 0.73 H new ATOM 0 HZ1 LYS B 66 -7.393 7.930 -7.569 1.00 1.47 H new ATOM 0 HZ2 LYS B 66 -5.858 7.273 -7.879 1.00 1.47 H new ATOM 0 HZ3 LYS B 66 -6.464 8.516 -8.864 1.00 1.47 H new ATOM 2702 N LEU B 67 -9.405 2.653 -10.842 1.00 0.41 N ATOM 2703 CA LEU B 67 -8.893 1.470 -10.172 1.00 0.39 C ATOM 2704 C LEU B 67 -9.559 0.204 -10.676 1.00 0.40 C ATOM 2705 O LEU B 67 -8.920 -0.842 -10.735 1.00 0.46 O ATOM 2706 CB LEU B 67 -9.138 1.593 -8.687 1.00 0.34 C ATOM 2707 CG LEU B 67 -8.688 2.913 -8.066 1.00 0.33 C ATOM 2708 CD1 LEU B 67 -9.221 3.036 -6.655 1.00 0.30 C ATOM 2709 CD2 LEU B 67 -7.174 3.034 -8.089 1.00 0.37 C ATOM 0 H LEU B 67 -10.233 3.054 -10.403 1.00 0.41 H new ATOM 0 HA LEU B 67 -7.826 1.402 -10.384 1.00 0.39 H new ATOM 0 HB2 LEU B 67 -10.204 1.465 -8.498 1.00 0.34 H new ATOM 0 HB3 LEU B 67 -8.624 0.776 -8.180 1.00 0.34 H new ATOM 0 HG LEU B 67 -9.095 3.732 -8.660 1.00 0.33 H new ATOM 0 HD11 LEU B 67 -8.893 3.982 -6.223 1.00 0.30 H new ATOM 0 HD12 LEU B 67 -10.310 3.004 -6.673 1.00 0.30 H new ATOM 0 HD13 LEU B 67 -8.844 2.211 -6.050 1.00 0.30 H new ATOM 0 HD21 LEU B 67 -6.878 3.983 -7.641 1.00 0.37 H new ATOM 0 HD22 LEU B 67 -6.735 2.213 -7.523 1.00 0.37 H new ATOM 0 HD23 LEU B 67 -6.821 2.994 -9.120 1.00 0.37 H new ATOM 2721 N ASP B 68 -10.854 0.313 -10.988 1.00 0.39 N ATOM 2722 CA ASP B 68 -11.649 -0.787 -11.538 1.00 0.42 C ATOM 2723 C ASP B 68 -11.078 -1.194 -12.880 1.00 0.52 C ATOM 2724 O ASP B 68 -11.587 -0.854 -13.952 1.00 0.57 O ATOM 2725 CB ASP B 68 -13.122 -0.362 -11.657 1.00 0.43 C ATOM 2726 CG ASP B 68 -14.002 -1.346 -12.407 1.00 0.46 C ATOM 2727 OD1 ASP B 68 -14.083 -2.528 -12.004 1.00 1.23 O ATOM 2728 OD2 ASP B 68 -14.650 -0.926 -13.395 1.00 1.13 O ATOM 0 H ASP B 68 -11.384 1.176 -10.864 1.00 0.39 H new ATOM 0 HA ASP B 68 -11.606 -1.648 -10.871 1.00 0.42 H new ATOM 0 HB2 ASP B 68 -13.528 -0.221 -10.656 1.00 0.43 H new ATOM 0 HB3 ASP B 68 -13.169 0.604 -12.159 1.00 0.43 H new ATOM 2733 N THR B 69 -9.983 -1.893 -12.783 1.00 0.58 N ATOM 2734 CA THR B 69 -9.218 -2.324 -13.922 1.00 0.74 C ATOM 2735 C THR B 69 -9.805 -3.608 -14.484 1.00 0.83 C ATOM 2736 O THR B 69 -9.570 -3.971 -15.638 1.00 0.99 O ATOM 2737 CB THR B 69 -7.745 -2.519 -13.510 1.00 0.79 C ATOM 2738 OG1 THR B 69 -6.890 -2.498 -14.663 1.00 0.91 O ATOM 2739 CG2 THR B 69 -7.555 -3.830 -12.762 1.00 0.82 C ATOM 0 H THR B 69 -9.587 -2.187 -11.890 1.00 0.58 H new ATOM 0 HA THR B 69 -9.260 -1.564 -14.702 1.00 0.74 H new ATOM 0 HB THR B 69 -7.477 -1.695 -12.849 1.00 0.79 H new ATOM 0 HG1 THR B 69 -5.959 -2.622 -14.382 1.00 0.91 H new ATOM 0 HG21 THR B 69 -6.507 -3.942 -12.484 1.00 0.82 H new ATOM 0 HG22 THR B 69 -8.171 -3.828 -11.863 1.00 0.82 H new ATOM 0 HG23 THR B 69 -7.851 -4.661 -13.403 1.00 0.82 H new ATOM 2747 N ASN B 70 -10.593 -4.277 -13.659 1.00 0.80 N ATOM 2748 CA ASN B 70 -11.270 -5.490 -14.066 1.00 0.94 C ATOM 2749 C ASN B 70 -12.554 -5.144 -14.799 1.00 0.86 C ATOM 2750 O ASN B 70 -13.167 -5.983 -15.465 1.00 0.98 O ATOM 2751 CB ASN B 70 -11.575 -6.334 -12.838 1.00 1.00 C ATOM 2752 CG ASN B 70 -12.032 -7.739 -13.181 1.00 1.25 C ATOM 2753 OD1 ASN B 70 -11.626 -8.310 -14.195 1.00 1.46 O ATOM 2754 ND2 ASN B 70 -12.880 -8.306 -12.339 1.00 1.66 N ATOM 0 H ASN B 70 -10.778 -3.995 -12.696 1.00 0.80 H new ATOM 0 HA ASN B 70 -10.627 -6.058 -14.739 1.00 0.94 H new ATOM 0 HB2 ASN B 70 -10.684 -6.391 -12.213 1.00 1.00 H new ATOM 0 HB3 ASN B 70 -12.348 -5.841 -12.248 1.00 1.00 H new ATOM 0 HD21 ASN B 70 -13.222 -9.250 -12.518 1.00 1.66 H new ATOM 0 HD22 ASN B 70 -13.192 -7.799 -11.511 1.00 1.66 H new ATOM 2761 N SER B 71 -12.933 -3.875 -14.665 1.00 0.70 N ATOM 2762 CA SER B 71 -14.100 -3.317 -15.324 1.00 0.66 C ATOM 2763 C SER B 71 -15.364 -4.038 -14.883 1.00 0.61 C ATOM 2764 O SER B 71 -16.234 -4.361 -15.692 1.00 0.66 O ATOM 2765 CB SER B 71 -13.935 -3.373 -16.845 1.00 0.82 C ATOM 2766 OG SER B 71 -12.739 -2.723 -17.251 1.00 1.48 O ATOM 0 H SER B 71 -12.429 -3.202 -14.088 1.00 0.70 H new ATOM 0 HA SER B 71 -14.194 -2.271 -15.032 1.00 0.66 H new ATOM 0 HB2 SER B 71 -13.919 -4.412 -17.175 1.00 0.82 H new ATOM 0 HB3 SER B 71 -14.791 -2.900 -17.325 1.00 0.82 H new ATOM 0 HG SER B 71 -12.654 -2.773 -18.226 1.00 1.48 H new ATOM 2772 N ASP B 72 -15.457 -4.274 -13.586 1.00 0.58 N ATOM 2773 CA ASP B 72 -16.583 -4.991 -13.020 1.00 0.65 C ATOM 2774 C ASP B 72 -17.407 -4.063 -12.139 1.00 0.56 C ATOM 2775 O ASP B 72 -18.561 -4.344 -11.820 1.00 0.66 O ATOM 2776 CB ASP B 72 -16.092 -6.194 -12.215 1.00 0.80 C ATOM 2777 CG ASP B 72 -17.223 -7.083 -11.749 1.00 0.92 C ATOM 2778 OD1 ASP B 72 -17.796 -7.816 -12.585 1.00 1.56 O ATOM 2779 OD2 ASP B 72 -17.541 -7.069 -10.546 1.00 1.53 O ATOM 0 H ASP B 72 -14.761 -3.977 -12.902 1.00 0.58 H new ATOM 0 HA ASP B 72 -17.215 -5.351 -13.832 1.00 0.65 H new ATOM 0 HB2 ASP B 72 -15.403 -6.778 -12.825 1.00 0.80 H new ATOM 0 HB3 ASP B 72 -15.531 -5.842 -11.349 1.00 0.80 H new ATOM 2784 N GLY B 73 -16.807 -2.943 -11.755 1.00 0.45 N ATOM 2785 CA GLY B 73 -17.516 -1.963 -10.957 1.00 0.46 C ATOM 2786 C GLY B 73 -17.219 -2.116 -9.489 1.00 0.41 C ATOM 2787 O GLY B 73 -17.949 -1.606 -8.634 1.00 0.44 O ATOM 0 H GLY B 73 -15.844 -2.697 -11.982 1.00 0.45 H new ATOM 0 HA2 GLY B 73 -17.238 -0.960 -11.281 1.00 0.46 H new ATOM 0 HA3 GLY B 73 -18.588 -2.066 -11.123 1.00 0.46 H new ATOM 2791 N GLN B 74 -16.149 -2.829 -9.200 1.00 0.38 N ATOM 2792 CA GLN B 74 -15.706 -3.052 -7.844 1.00 0.37 C ATOM 2793 C GLN B 74 -14.207 -2.858 -7.794 1.00 0.36 C ATOM 2794 O GLN B 74 -13.577 -2.629 -8.823 1.00 0.39 O ATOM 2795 CB GLN B 74 -16.024 -4.474 -7.388 1.00 0.38 C ATOM 2796 CG GLN B 74 -17.469 -4.897 -7.546 1.00 0.41 C ATOM 2797 CD GLN B 74 -17.719 -6.275 -6.971 1.00 0.49 C ATOM 2798 OE1 GLN B 74 -18.051 -6.332 -5.693 1.00 1.02 O flip ATOM 2799 NE2 GLN B 74 -17.601 -7.282 -7.663 1.00 1.25 N flip ATOM 0 H GLN B 74 -15.561 -3.272 -9.906 1.00 0.38 H new ATOM 0 HA GLN B 74 -16.221 -2.351 -7.187 1.00 0.37 H new ATOM 0 HB2 GLN B 74 -15.397 -5.167 -7.949 1.00 0.38 H new ATOM 0 HB3 GLN B 74 -15.747 -4.572 -6.338 1.00 0.38 H new ATOM 0 HG2 GLN B 74 -18.116 -4.173 -7.049 1.00 0.41 H new ATOM 0 HG3 GLN B 74 -17.736 -4.891 -8.603 1.00 0.41 H new ATOM 0 HE21 GLN B 74 -17.343 -7.198 -8.646 1.00 1.25 H new ATOM 0 HE22 GLN B 74 -17.761 -8.203 -7.255 1.00 1.25 H new ATOM 2808 N LEU B 75 -13.640 -2.944 -6.608 1.00 0.33 N ATOM 2809 CA LEU B 75 -12.199 -2.896 -6.468 1.00 0.31 C ATOM 2810 C LEU B 75 -11.692 -4.099 -5.720 1.00 0.32 C ATOM 2811 O LEU B 75 -12.051 -4.331 -4.568 1.00 0.32 O ATOM 2812 CB LEU B 75 -11.755 -1.633 -5.759 1.00 0.31 C ATOM 2813 CG LEU B 75 -12.188 -0.342 -6.440 1.00 0.32 C ATOM 2814 CD1 LEU B 75 -11.699 0.863 -5.657 1.00 0.35 C ATOM 2815 CD2 LEU B 75 -11.668 -0.317 -7.870 1.00 0.35 C ATOM 0 H LEU B 75 -14.152 -3.047 -5.732 1.00 0.33 H new ATOM 0 HA LEU B 75 -11.777 -2.897 -7.473 1.00 0.31 H new ATOM 0 HB2 LEU B 75 -12.150 -1.643 -4.743 1.00 0.31 H new ATOM 0 HB3 LEU B 75 -10.668 -1.640 -5.678 1.00 0.31 H new ATOM 0 HG LEU B 75 -13.277 -0.299 -6.467 1.00 0.32 H new ATOM 0 HD11 LEU B 75 -12.018 1.777 -6.159 1.00 0.35 H new ATOM 0 HD12 LEU B 75 -12.117 0.837 -4.651 1.00 0.35 H new ATOM 0 HD13 LEU B 75 -10.611 0.842 -5.599 1.00 0.35 H new ATOM 0 HD21 LEU B 75 -11.980 0.608 -8.354 1.00 0.35 H new ATOM 0 HD22 LEU B 75 -10.580 -0.374 -7.862 1.00 0.35 H new ATOM 0 HD23 LEU B 75 -12.072 -1.168 -8.419 1.00 0.35 H new ATOM 2827 N ASP B 76 -10.877 -4.872 -6.394 1.00 0.35 N ATOM 2828 CA ASP B 76 -10.271 -6.042 -5.799 1.00 0.36 C ATOM 2829 C ASP B 76 -9.044 -5.645 -5.012 1.00 0.33 C ATOM 2830 O ASP B 76 -8.685 -4.474 -4.961 1.00 0.32 O ATOM 2831 CB ASP B 76 -9.919 -7.064 -6.882 1.00 0.44 C ATOM 2832 CG ASP B 76 -8.440 -7.095 -7.233 1.00 0.91 C ATOM 2833 OD1 ASP B 76 -7.953 -6.156 -7.887 1.00 1.44 O ATOM 2834 OD2 ASP B 76 -7.752 -8.068 -6.847 1.00 1.68 O ATOM 0 H ASP B 76 -10.614 -4.711 -7.366 1.00 0.35 H new ATOM 0 HA ASP B 76 -10.983 -6.504 -5.115 1.00 0.36 H new ATOM 0 HB2 ASP B 76 -10.225 -8.055 -6.548 1.00 0.44 H new ATOM 0 HB3 ASP B 76 -10.493 -6.840 -7.781 1.00 0.44 H new ATOM 2839 N PHE B 77 -8.437 -6.630 -4.386 1.00 0.40 N ATOM 2840 CA PHE B 77 -7.222 -6.453 -3.617 1.00 0.49 C ATOM 2841 C PHE B 77 -6.218 -5.529 -4.320 1.00 0.39 C ATOM 2842 O PHE B 77 -5.829 -4.502 -3.770 1.00 0.38 O ATOM 2843 CB PHE B 77 -6.619 -7.828 -3.399 1.00 0.72 C ATOM 2844 CG PHE B 77 -7.244 -8.604 -2.273 1.00 1.75 C ATOM 2845 CD1 PHE B 77 -6.795 -8.450 -0.973 1.00 2.66 C ATOM 2846 CD2 PHE B 77 -8.276 -9.497 -2.520 1.00 2.56 C ATOM 2847 CE1 PHE B 77 -7.361 -9.173 0.062 1.00 3.77 C ATOM 2848 CE2 PHE B 77 -8.847 -10.221 -1.489 1.00 3.67 C ATOM 2849 CZ PHE B 77 -8.388 -10.058 -0.197 1.00 4.14 C ATOM 0 H PHE B 77 -8.778 -7.591 -4.397 1.00 0.40 H new ATOM 0 HA PHE B 77 -7.461 -5.974 -2.668 1.00 0.49 H new ATOM 0 HB2 PHE B 77 -6.715 -8.404 -4.319 1.00 0.72 H new ATOM 0 HB3 PHE B 77 -5.553 -7.718 -3.201 1.00 0.72 H new ATOM 0 HD1 PHE B 77 -5.993 -7.757 -0.764 1.00 2.66 H new ATOM 0 HD2 PHE B 77 -8.638 -9.629 -3.529 1.00 2.56 H new ATOM 0 HE1 PHE B 77 -7.000 -9.045 1.072 1.00 3.77 H new ATOM 0 HE2 PHE B 77 -9.651 -10.913 -1.694 1.00 3.67 H new ATOM 0 HZ PHE B 77 -8.832 -10.622 0.610 1.00 4.14 H new ATOM 2859 N SER B 78 -5.823 -5.883 -5.538 1.00 0.38 N ATOM 2860 CA SER B 78 -4.855 -5.092 -6.290 1.00 0.38 C ATOM 2861 C SER B 78 -5.411 -3.723 -6.697 1.00 0.38 C ATOM 2862 O SER B 78 -4.690 -2.725 -6.662 1.00 0.44 O ATOM 2863 CB SER B 78 -4.364 -5.866 -7.519 1.00 0.44 C ATOM 2864 OG SER B 78 -5.430 -6.488 -8.225 1.00 1.32 O ATOM 0 H SER B 78 -6.158 -6.713 -6.026 1.00 0.38 H new ATOM 0 HA SER B 78 -4.008 -4.908 -5.629 1.00 0.38 H new ATOM 0 HB2 SER B 78 -3.836 -5.186 -8.187 1.00 0.44 H new ATOM 0 HB3 SER B 78 -3.647 -6.625 -7.205 1.00 0.44 H new ATOM 0 HG SER B 78 -6.276 -6.053 -7.990 1.00 1.32 H new ATOM 2870 N GLU B 79 -6.689 -3.665 -7.062 1.00 0.36 N ATOM 2871 CA GLU B 79 -7.316 -2.406 -7.455 1.00 0.42 C ATOM 2872 C GLU B 79 -7.409 -1.467 -6.252 1.00 0.33 C ATOM 2873 O GLU B 79 -7.252 -0.251 -6.375 1.00 0.33 O ATOM 2874 CB GLU B 79 -8.698 -2.681 -8.052 1.00 0.51 C ATOM 2875 CG GLU B 79 -8.640 -3.581 -9.276 1.00 0.64 C ATOM 2876 CD GLU B 79 -10.002 -4.038 -9.764 1.00 1.81 C ATOM 2877 OE1 GLU B 79 -10.690 -4.765 -9.025 1.00 2.54 O ATOM 2878 OE2 GLU B 79 -10.375 -3.702 -10.900 1.00 2.57 O ATOM 0 H GLU B 79 -7.310 -4.474 -7.094 1.00 0.36 H new ATOM 0 HA GLU B 79 -6.706 -1.918 -8.215 1.00 0.42 H new ATOM 0 HB2 GLU B 79 -9.331 -3.145 -7.295 1.00 0.51 H new ATOM 0 HB3 GLU B 79 -9.167 -1.735 -8.323 1.00 0.51 H new ATOM 0 HG2 GLU B 79 -8.135 -3.050 -10.083 1.00 0.64 H new ATOM 0 HG3 GLU B 79 -8.035 -4.457 -9.043 1.00 0.64 H new ATOM 2885 N PHE B 80 -7.638 -2.057 -5.088 1.00 0.28 N ATOM 2886 CA PHE B 80 -7.648 -1.331 -3.827 1.00 0.25 C ATOM 2887 C PHE B 80 -6.248 -0.841 -3.482 1.00 0.23 C ATOM 2888 O PHE B 80 -6.073 0.216 -2.885 1.00 0.26 O ATOM 2889 CB PHE B 80 -8.165 -2.243 -2.715 1.00 0.31 C ATOM 2890 CG PHE B 80 -8.038 -1.654 -1.344 1.00 0.71 C ATOM 2891 CD1 PHE B 80 -8.892 -0.650 -0.927 1.00 1.26 C ATOM 2892 CD2 PHE B 80 -7.058 -2.103 -0.475 1.00 1.60 C ATOM 2893 CE1 PHE B 80 -8.769 -0.103 0.330 1.00 1.56 C ATOM 2894 CE2 PHE B 80 -6.932 -1.560 0.786 1.00 1.98 C ATOM 2895 CZ PHE B 80 -7.788 -0.558 1.189 1.00 1.64 C ATOM 0 H PHE B 80 -7.823 -3.055 -4.991 1.00 0.28 H new ATOM 0 HA PHE B 80 -8.305 -0.467 -3.925 1.00 0.25 H new ATOM 0 HB2 PHE B 80 -9.213 -2.475 -2.905 1.00 0.31 H new ATOM 0 HB3 PHE B 80 -7.619 -3.186 -2.748 1.00 0.31 H new ATOM 0 HD1 PHE B 80 -9.663 -0.292 -1.594 1.00 1.26 H new ATOM 0 HD2 PHE B 80 -6.385 -2.887 -0.788 1.00 1.60 H new ATOM 0 HE1 PHE B 80 -9.440 0.683 0.645 1.00 1.56 H new ATOM 0 HE2 PHE B 80 -6.165 -1.919 1.456 1.00 1.98 H new ATOM 0 HZ PHE B 80 -7.692 -0.129 2.175 1.00 1.64 H new ATOM 2905 N LEU B 81 -5.253 -1.622 -3.851 1.00 0.25 N ATOM 2906 CA LEU B 81 -3.875 -1.257 -3.588 1.00 0.26 C ATOM 2907 C LEU B 81 -3.411 -0.175 -4.538 1.00 0.26 C ATOM 2908 O LEU B 81 -2.569 0.650 -4.190 1.00 0.27 O ATOM 2909 CB LEU B 81 -2.976 -2.471 -3.695 1.00 0.29 C ATOM 2910 CG LEU B 81 -3.251 -3.556 -2.655 1.00 0.28 C ATOM 2911 CD1 LEU B 81 -2.292 -4.709 -2.844 1.00 0.33 C ATOM 2912 CD2 LEU B 81 -3.171 -2.985 -1.233 1.00 0.29 C ATOM 0 H LEU B 81 -5.372 -2.513 -4.333 1.00 0.25 H new ATOM 0 HA LEU B 81 -3.817 -0.867 -2.572 1.00 0.26 H new ATOM 0 HB2 LEU B 81 -3.086 -2.903 -4.690 1.00 0.29 H new ATOM 0 HB3 LEU B 81 -1.939 -2.149 -3.600 1.00 0.29 H new ATOM 0 HG LEU B 81 -4.265 -3.930 -2.797 1.00 0.28 H new ATOM 0 HD11 LEU B 81 -2.496 -5.478 -2.098 1.00 0.33 H new ATOM 0 HD12 LEU B 81 -2.420 -5.129 -3.842 1.00 0.33 H new ATOM 0 HD13 LEU B 81 -1.268 -4.353 -2.728 1.00 0.33 H new ATOM 0 HD21 LEU B 81 -3.371 -3.777 -0.511 1.00 0.29 H new ATOM 0 HD22 LEU B 81 -2.175 -2.579 -1.060 1.00 0.29 H new ATOM 0 HD23 LEU B 81 -3.911 -2.193 -1.117 1.00 0.29 H new ATOM 2924 N ASN B 82 -3.957 -0.184 -5.742 1.00 0.26 N ATOM 2925 CA ASN B 82 -3.733 0.900 -6.674 1.00 0.26 C ATOM 2926 C ASN B 82 -4.273 2.185 -6.068 1.00 0.23 C ATOM 2927 O ASN B 82 -3.682 3.260 -6.197 1.00 0.24 O ATOM 2928 CB ASN B 82 -4.431 0.616 -8.003 1.00 0.30 C ATOM 2929 CG ASN B 82 -3.761 -0.475 -8.819 1.00 0.78 C ATOM 2930 OD1 ASN B 82 -2.441 -0.570 -8.735 1.00 1.50 O flip ATOM 2931 ND2 ASN B 82 -4.428 -1.218 -9.538 1.00 1.42 N flip ATOM 0 H ASN B 82 -4.557 -0.930 -6.094 1.00 0.26 H new ATOM 0 HA ASN B 82 -2.664 0.999 -6.865 1.00 0.26 H new ATOM 0 HB2 ASN B 82 -5.464 0.329 -7.807 1.00 0.30 H new ATOM 0 HB3 ASN B 82 -4.460 1.533 -8.592 1.00 0.30 H new ATOM 0 HD21 ASN B 82 -5.442 -1.115 -9.577 1.00 1.42 H new ATOM 0 HD22 ASN B 82 -3.967 -1.937 -10.095 1.00 1.42 H new ATOM 2938 N LEU B 83 -5.411 2.047 -5.403 1.00 0.23 N ATOM 2939 CA LEU B 83 -5.988 3.118 -4.616 1.00 0.24 C ATOM 2940 C LEU B 83 -5.015 3.573 -3.542 1.00 0.23 C ATOM 2941 O LEU B 83 -4.679 4.751 -3.454 1.00 0.25 O ATOM 2942 CB LEU B 83 -7.267 2.634 -3.952 1.00 0.27 C ATOM 2943 CG LEU B 83 -7.719 3.472 -2.769 1.00 0.31 C ATOM 2944 CD1 LEU B 83 -8.154 4.854 -3.235 1.00 0.35 C ATOM 2945 CD2 LEU B 83 -8.828 2.771 -2.007 1.00 0.36 C ATOM 0 H LEU B 83 -5.958 1.186 -5.396 1.00 0.23 H new ATOM 0 HA LEU B 83 -6.206 3.955 -5.279 1.00 0.24 H new ATOM 0 HB2 LEU B 83 -8.064 2.618 -4.696 1.00 0.27 H new ATOM 0 HB3 LEU B 83 -7.122 1.606 -3.619 1.00 0.27 H new ATOM 0 HG LEU B 83 -6.878 3.596 -2.087 1.00 0.31 H new ATOM 0 HD11 LEU B 83 -8.475 5.443 -2.376 1.00 0.35 H new ATOM 0 HD12 LEU B 83 -7.318 5.353 -3.725 1.00 0.35 H new ATOM 0 HD13 LEU B 83 -8.981 4.757 -3.938 1.00 0.35 H new ATOM 0 HD21 LEU B 83 -9.137 3.389 -1.164 1.00 0.36 H new ATOM 0 HD22 LEU B 83 -9.679 2.609 -2.669 1.00 0.36 H new ATOM 0 HD23 LEU B 83 -8.466 1.810 -1.640 1.00 0.36 H new ATOM 2957 N ILE B 84 -4.583 2.618 -2.729 1.00 0.24 N ATOM 2958 CA ILE B 84 -3.626 2.868 -1.663 1.00 0.26 C ATOM 2959 C ILE B 84 -2.390 3.590 -2.196 1.00 0.27 C ATOM 2960 O ILE B 84 -1.815 4.438 -1.516 1.00 0.29 O ATOM 2961 CB ILE B 84 -3.235 1.540 -0.980 1.00 0.29 C ATOM 2962 CG1 ILE B 84 -4.409 0.992 -0.160 1.00 0.55 C ATOM 2963 CG2 ILE B 84 -1.994 1.703 -0.106 1.00 0.47 C ATOM 2964 CD1 ILE B 84 -4.839 1.892 0.979 1.00 0.62 C ATOM 0 H ILE B 84 -4.888 1.647 -2.792 1.00 0.24 H new ATOM 0 HA ILE B 84 -4.094 3.516 -0.922 1.00 0.26 H new ATOM 0 HB ILE B 84 -2.992 0.822 -1.763 1.00 0.29 H new ATOM 0 HG12 ILE B 84 -5.259 0.832 -0.824 1.00 0.55 H new ATOM 0 HG13 ILE B 84 -4.133 0.018 0.245 1.00 0.55 H new ATOM 0 HG21 ILE B 84 -1.748 0.748 0.359 1.00 0.47 H new ATOM 0 HG22 ILE B 84 -1.157 2.033 -0.721 1.00 0.47 H new ATOM 0 HG23 ILE B 84 -2.190 2.444 0.669 1.00 0.47 H new ATOM 0 HD11 ILE B 84 -5.674 1.434 1.510 1.00 0.62 H new ATOM 0 HD12 ILE B 84 -4.005 2.032 1.667 1.00 0.62 H new ATOM 0 HD13 ILE B 84 -5.148 2.859 0.582 1.00 0.62 H new ATOM 2976 N GLY B 85 -2.013 3.272 -3.428 1.00 0.26 N ATOM 2977 CA GLY B 85 -0.918 3.957 -4.074 1.00 0.29 C ATOM 2978 C GLY B 85 -1.200 5.433 -4.259 1.00 0.28 C ATOM 2979 O GLY B 85 -0.378 6.272 -3.905 1.00 0.32 O ATOM 0 H GLY B 85 -2.453 2.545 -3.993 1.00 0.26 H new ATOM 0 HA2 GLY B 85 -0.012 3.833 -3.480 1.00 0.29 H new ATOM 0 HA3 GLY B 85 -0.727 3.500 -5.045 1.00 0.29 H new ATOM 2983 N GLY B 86 -2.385 5.756 -4.767 1.00 0.27 N ATOM 2984 CA GLY B 86 -2.729 7.143 -5.026 1.00 0.30 C ATOM 2985 C GLY B 86 -2.984 7.893 -3.740 1.00 0.29 C ATOM 2986 O GLY B 86 -2.721 9.092 -3.633 1.00 0.34 O ATOM 0 H GLY B 86 -3.113 5.083 -5.004 1.00 0.27 H new ATOM 0 HA2 GLY B 86 -1.920 7.624 -5.576 1.00 0.30 H new ATOM 0 HA3 GLY B 86 -3.616 7.188 -5.658 1.00 0.30 H new ATOM 2990 N LEU B 87 -3.487 7.164 -2.761 1.00 0.25 N ATOM 2991 CA LEU B 87 -3.714 7.688 -1.428 1.00 0.25 C ATOM 2992 C LEU B 87 -2.396 8.060 -0.781 1.00 0.26 C ATOM 2993 O LEU B 87 -2.199 9.191 -0.331 1.00 0.29 O ATOM 2994 CB LEU B 87 -4.395 6.633 -0.574 1.00 0.25 C ATOM 2995 CG LEU B 87 -5.886 6.444 -0.803 1.00 0.26 C ATOM 2996 CD1 LEU B 87 -6.333 5.134 -0.187 1.00 0.26 C ATOM 2997 CD2 LEU B 87 -6.663 7.597 -0.191 1.00 0.35 C ATOM 0 H LEU B 87 -3.751 6.185 -2.870 1.00 0.25 H new ATOM 0 HA LEU B 87 -4.346 8.573 -1.505 1.00 0.25 H new ATOM 0 HB2 LEU B 87 -3.898 5.679 -0.748 1.00 0.25 H new ATOM 0 HB3 LEU B 87 -4.239 6.888 0.474 1.00 0.25 H new ATOM 0 HG LEU B 87 -6.081 6.423 -1.875 1.00 0.26 H new ATOM 0 HD11 LEU B 87 -7.402 5.000 -0.352 1.00 0.26 H new ATOM 0 HD12 LEU B 87 -5.789 4.310 -0.649 1.00 0.26 H new ATOM 0 HD13 LEU B 87 -6.130 5.148 0.884 1.00 0.26 H new ATOM 0 HD21 LEU B 87 -7.729 7.449 -0.362 1.00 0.35 H new ATOM 0 HD22 LEU B 87 -6.470 7.637 0.881 1.00 0.35 H new ATOM 0 HD23 LEU B 87 -6.348 8.533 -0.652 1.00 0.35 H new ATOM 3009 N ALA B 88 -1.493 7.091 -0.745 1.00 0.25 N ATOM 3010 CA ALA B 88 -0.183 7.291 -0.161 1.00 0.27 C ATOM 3011 C ALA B 88 0.564 8.363 -0.891 1.00 0.29 C ATOM 3012 O ALA B 88 1.352 9.086 -0.308 1.00 0.35 O ATOM 3013 CB ALA B 88 0.633 6.026 -0.212 1.00 0.26 C ATOM 0 H ALA B 88 -1.649 6.154 -1.117 1.00 0.25 H new ATOM 0 HA ALA B 88 -0.336 7.585 0.877 1.00 0.27 H new ATOM 0 HB1 ALA B 88 1.611 6.206 0.233 1.00 0.26 H new ATOM 0 HB2 ALA B 88 0.121 5.240 0.343 1.00 0.26 H new ATOM 0 HB3 ALA B 88 0.758 5.715 -1.249 1.00 0.26 H new ATOM 3019 N MET B 89 0.328 8.442 -2.181 1.00 0.29 N ATOM 3020 CA MET B 89 0.988 9.425 -2.995 1.00 0.32 C ATOM 3021 C MET B 89 0.480 10.819 -2.686 1.00 0.34 C ATOM 3022 O MET B 89 1.240 11.784 -2.747 1.00 0.39 O ATOM 3023 CB MET B 89 0.828 9.088 -4.465 1.00 0.34 C ATOM 3024 CG MET B 89 1.807 8.022 -4.900 1.00 0.42 C ATOM 3025 SD MET B 89 1.981 7.918 -6.692 1.00 1.03 S ATOM 3026 CE MET B 89 0.327 7.422 -7.172 1.00 1.89 C ATOM 0 H MET B 89 -0.318 7.834 -2.685 1.00 0.29 H new ATOM 0 HA MET B 89 2.052 9.409 -2.760 1.00 0.32 H new ATOM 0 HB2 MET B 89 -0.190 8.746 -4.652 1.00 0.34 H new ATOM 0 HB3 MET B 89 0.978 9.987 -5.063 1.00 0.34 H new ATOM 0 HG2 MET B 89 2.781 8.228 -4.457 1.00 0.42 H new ATOM 0 HG3 MET B 89 1.479 7.056 -4.515 1.00 0.42 H new ATOM 0 HE1 MET B 89 0.339 7.061 -8.201 1.00 1.89 H new ATOM 0 HE2 MET B 89 -0.020 6.626 -6.513 1.00 1.89 H new ATOM 0 HE3 MET B 89 -0.346 8.276 -7.095 1.00 1.89 H new ATOM 3036 N ALA B 90 -0.788 10.907 -2.311 1.00 0.34 N ATOM 3037 CA ALA B 90 -1.383 12.170 -1.902 1.00 0.39 C ATOM 3038 C ALA B 90 -0.802 12.621 -0.569 1.00 0.42 C ATOM 3039 O ALA B 90 -0.709 13.813 -0.279 1.00 0.49 O ATOM 3040 CB ALA B 90 -2.890 12.033 -1.804 1.00 0.46 C ATOM 0 H ALA B 90 -1.428 10.113 -2.282 1.00 0.34 H new ATOM 0 HA ALA B 90 -1.151 12.925 -2.653 1.00 0.39 H new ATOM 0 HB1 ALA B 90 -3.323 12.985 -1.497 1.00 0.46 H new ATOM 0 HB2 ALA B 90 -3.293 11.747 -2.776 1.00 0.46 H new ATOM 0 HB3 ALA B 90 -3.139 11.268 -1.069 1.00 0.46 H new ATOM 3046 N CYS B 91 -0.411 11.650 0.236 1.00 0.41 N ATOM 3047 CA CYS B 91 0.217 11.918 1.517 1.00 0.47 C ATOM 3048 C CYS B 91 1.706 12.145 1.323 1.00 0.44 C ATOM 3049 O CYS B 91 2.329 12.893 2.063 1.00 0.51 O ATOM 3050 CB CYS B 91 -0.032 10.753 2.477 1.00 0.55 C ATOM 3051 SG CYS B 91 -1.781 10.337 2.679 1.00 1.76 S ATOM 0 H CYS B 91 -0.519 10.659 0.022 1.00 0.41 H new ATOM 0 HA CYS B 91 -0.218 12.819 1.950 1.00 0.47 H new ATOM 0 HB2 CYS B 91 0.502 9.875 2.114 1.00 0.55 H new ATOM 0 HB3 CYS B 91 0.388 11.001 3.452 1.00 0.55 H new ATOM 0 HG CYS B 91 -2.233 9.814 1.578 1.00 1.76 H new ATOM 3057 N HIS B 92 2.264 11.489 0.315 1.00 0.41 N ATOM 3058 CA HIS B 92 3.647 11.692 -0.072 1.00 0.46 C ATOM 3059 C HIS B 92 3.848 13.136 -0.478 1.00 0.45 C ATOM 3060 O HIS B 92 4.731 13.812 0.031 1.00 0.49 O ATOM 3061 CB HIS B 92 4.035 10.724 -1.217 1.00 0.54 C ATOM 3062 CG HIS B 92 4.647 11.364 -2.443 1.00 1.21 C ATOM 3063 ND1 HIS B 92 3.916 11.688 -3.570 1.00 2.12 N ATOM 3064 CD2 HIS B 92 5.923 11.729 -2.715 1.00 1.96 C ATOM 3065 CE1 HIS B 92 4.717 12.219 -4.474 1.00 2.74 C ATOM 3066 NE2 HIS B 92 5.940 12.256 -3.981 1.00 2.62 N ATOM 0 H HIS B 92 1.769 10.803 -0.255 1.00 0.41 H new ATOM 0 HA HIS B 92 4.299 11.476 0.775 1.00 0.46 H new ATOM 0 HB2 HIS B 92 4.739 9.990 -0.824 1.00 0.54 H new ATOM 0 HB3 HIS B 92 3.143 10.178 -1.523 1.00 0.54 H new ATOM 0 HD1 HIS B 92 2.913 11.540 -3.685 1.00 2.12 H new ATOM 0 HD2 HIS B 92 6.772 11.624 -2.055 1.00 1.96 H new ATOM 0 HE1 HIS B 92 4.421 12.565 -5.453 1.00 2.74 H new ATOM 3075 N ASP B 93 3.004 13.612 -1.377 1.00 0.45 N ATOM 3076 CA ASP B 93 3.151 14.946 -1.895 1.00 0.52 C ATOM 3077 C ASP B 93 2.858 15.959 -0.805 1.00 0.56 C ATOM 3078 O ASP B 93 3.574 16.937 -0.643 1.00 0.65 O ATOM 3079 CB ASP B 93 2.257 15.150 -3.116 1.00 0.54 C ATOM 3080 CG ASP B 93 0.773 15.269 -2.833 1.00 0.92 C ATOM 3081 OD1 ASP B 93 0.332 16.336 -2.353 1.00 1.74 O ATOM 3082 OD2 ASP B 93 0.036 14.316 -3.132 1.00 1.48 O ATOM 0 H ASP B 93 2.214 13.090 -1.758 1.00 0.45 H new ATOM 0 HA ASP B 93 4.181 15.093 -2.221 1.00 0.52 H new ATOM 0 HB2 ASP B 93 2.582 16.052 -3.635 1.00 0.54 H new ATOM 0 HB3 ASP B 93 2.412 14.315 -3.800 1.00 0.54 H new ATOM 3087 N SER B 94 1.811 15.685 -0.058 1.00 0.54 N ATOM 3088 CA SER B 94 1.466 16.459 1.135 1.00 0.60 C ATOM 3089 C SER B 94 2.671 16.585 2.065 1.00 0.63 C ATOM 3090 O SER B 94 3.047 17.684 2.462 1.00 0.70 O ATOM 3091 CB SER B 94 0.318 15.782 1.889 1.00 0.65 C ATOM 3092 OG SER B 94 -0.184 16.611 2.926 1.00 1.26 O ATOM 0 H SER B 94 1.167 14.919 -0.254 1.00 0.54 H new ATOM 0 HA SER B 94 1.158 17.454 0.815 1.00 0.60 H new ATOM 0 HB2 SER B 94 -0.485 15.543 1.192 1.00 0.65 H new ATOM 0 HB3 SER B 94 0.665 14.839 2.311 1.00 0.65 H new ATOM 0 HG SER B 94 -0.916 16.151 3.387 1.00 1.26 H new ATOM 3098 N PHE B 95 3.269 15.446 2.391 1.00 0.60 N ATOM 3099 CA PHE B 95 4.415 15.381 3.290 1.00 0.67 C ATOM 3100 C PHE B 95 5.593 16.145 2.702 1.00 0.73 C ATOM 3101 O PHE B 95 6.303 16.856 3.406 1.00 0.84 O ATOM 3102 CB PHE B 95 4.793 13.912 3.514 1.00 0.64 C ATOM 3103 CG PHE B 95 5.740 13.671 4.654 1.00 0.78 C ATOM 3104 CD1 PHE B 95 5.499 14.217 5.905 1.00 1.29 C ATOM 3105 CD2 PHE B 95 6.860 12.875 4.479 1.00 1.80 C ATOM 3106 CE1 PHE B 95 6.360 13.976 6.958 1.00 1.76 C ATOM 3107 CE2 PHE B 95 7.725 12.633 5.528 1.00 2.35 C ATOM 3108 CZ PHE B 95 7.475 13.184 6.769 1.00 2.07 C ATOM 0 H PHE B 95 2.971 14.537 2.038 1.00 0.60 H new ATOM 0 HA PHE B 95 4.154 15.839 4.244 1.00 0.67 H new ATOM 0 HB2 PHE B 95 3.882 13.340 3.690 1.00 0.64 H new ATOM 0 HB3 PHE B 95 5.241 13.524 2.600 1.00 0.64 H new ATOM 0 HD1 PHE B 95 4.629 14.838 6.058 1.00 1.29 H new ATOM 0 HD2 PHE B 95 7.059 12.439 3.511 1.00 1.80 H new ATOM 0 HE1 PHE B 95 6.161 14.407 7.928 1.00 1.76 H new ATOM 0 HE2 PHE B 95 8.597 12.013 5.378 1.00 2.35 H new ATOM 0 HZ PHE B 95 8.150 12.996 7.590 1.00 2.07 H new