USER MOD reduce.3.24.130724 H: found=0, std=0, add=809, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 810 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 83 LYS NZ :NH3+ 177:sc= 0.997 (180deg=0) USER MOD Set 1.2: A 87 SER OG : rot -110:sc= 0.891 USER MOD Set 2.1: A 43 TYR OH : rot 20:sc= 1.13 USER MOD Set 2.2: A 63 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 29 THR OG1 : rot 180:sc=-0.00224 USER MOD Set 3.2: A 33 HIS : no HD1:sc= -0.038 X(o=2.3,f=2.3) USER MOD Set 3.3: A 78 ASN : amide:sc= 1.09 K(o=2.3,f=-0.61!) USER MOD Set 3.4: A 81 THR OG1 : rot 70:sc= 1.2 USER MOD Set 4.1: A 17 TYR OH : rot 180:sc= -0.186 USER MOD Set 4.2: A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 5.1: A 9 SER OG : rot 94:sc= 1.13 USER MOD Set 5.2: A 11 HIS : no HE2:sc= -1.19 K(o=-0.052,f=-1.1!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot -167:sc= 0.851 USER MOD Single : A 18 MET CE :methyl 165:sc= -0.0527 (180deg=-0.481) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 83:sc= 0.497 USER MOD Single : A 21 TYR OH : rot 30:sc= 0 USER MOD Single : A 22 SER OG : rot 168:sc= -1.79! USER MOD Single : A 32 HIS : no HD1:sc= -0.194 X(o=-0.19,f=-0.43) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 CYS SG : rot 71:sc= 1.28 USER MOD Single : A 37 MET CE :methyl -170:sc= -0.308 (180deg=-0.502) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ -133:sc= -0.566 (180deg=-2.61!) USER MOD Single : A 44 CYS SG : rot -7:sc= 0.667 USER MOD Single : A 48 GLN : amide:sc= -0.0598 X(o=-0.06,f=-0.22) USER MOD Single : A 50 HIS : no HD1:sc= 0 X(o=0,f=-0.0077) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.0778 USER MOD Single : A 60 TYR OH : rot -6:sc= 0.39 USER MOD Single : A 64 MET CE :methyl 154:sc= -2.08 (180deg=-3.88!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 145:sc= 0.0461 USER MOD Single : A 69 CYS SG : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= 0.00375 X(o=0.0037,f=-0.033) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0.00536 USER MOD Single : A 76 GLN : amide:sc= -0.0955 K(o=-0.095,f=-0.65) USER MOD Single : A 80 SER OG : rot -87:sc= 0.822 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 MET CE :methyl -161:sc= 0 (180deg=-0.0278) USER MOD Single : A 97 ASN : amide:sc= 0.226 K(o=0.23,f=-0.63) USER MOD Single : A 101 LYS NZ :NH3+ 149:sc= 1.22 (180deg=1.15) USER MOD ----------------------------------------------------------------- ATOM 85 N PHE A 7 15.323 -2.081 1.228 1.00 1.21 N ATOM 86 CA PHE A 7 14.191 -1.642 0.432 1.00 54.23 C ATOM 87 C PHE A 7 14.215 -0.138 0.230 1.00 2.43 C ATOM 88 O PHE A 7 14.081 0.640 1.176 1.00 1.25 O ATOM 89 CB PHE A 7 12.873 -2.070 1.078 1.00 2.12 C ATOM 90 CG PHE A 7 12.959 -2.295 2.562 1.00 11.53 C ATOM 91 CD1 PHE A 7 13.378 -3.517 3.061 1.00 32.12 C ATOM 92 CD2 PHE A 7 12.618 -1.292 3.454 1.00 3.01 C ATOM 93 CE1 PHE A 7 13.457 -3.736 4.419 1.00 65.50 C ATOM 94 CE2 PHE A 7 12.695 -1.506 4.817 1.00 72.52 C ATOM 95 CZ PHE A 7 13.114 -2.731 5.299 1.00 30.15 C ATOM 0 HA PHE A 7 14.269 -2.119 -0.545 1.00 54.23 H new ATOM 0 HB2 PHE A 7 12.120 -1.307 0.880 1.00 2.12 H new ATOM 0 HB3 PHE A 7 12.529 -2.988 0.602 1.00 2.12 H new ATOM 0 HD1 PHE A 7 13.646 -4.308 2.377 1.00 32.12 H new ATOM 0 HD2 PHE A 7 12.289 -0.333 3.081 1.00 3.01 H new ATOM 0 HE1 PHE A 7 13.787 -4.694 4.794 1.00 65.50 H new ATOM 0 HE2 PHE A 7 12.428 -0.717 5.504 1.00 72.52 H new ATOM 0 HZ PHE A 7 13.173 -2.901 6.364 1.00 30.15 H new ATOM 105 N LYS A 8 14.412 0.258 -1.010 1.00 72.12 N ATOM 106 CA LYS A 8 14.424 1.656 -1.378 1.00 74.32 C ATOM 107 C LYS A 8 13.051 2.106 -1.847 1.00 72.24 C ATOM 108 O LYS A 8 12.758 3.299 -1.875 1.00 62.22 O ATOM 109 CB LYS A 8 15.434 1.871 -2.494 1.00 64.23 C ATOM 110 CG LYS A 8 16.863 1.561 -2.093 1.00 5.42 C ATOM 111 CD LYS A 8 17.805 1.720 -3.269 1.00 63.24 C ATOM 112 CE LYS A 8 19.244 1.447 -2.874 1.00 74.50 C ATOM 113 NZ LYS A 8 20.173 1.655 -4.016 1.00 42.54 N ATOM 0 H LYS A 8 14.568 -0.381 -1.790 1.00 72.12 H new ATOM 0 HA LYS A 8 14.699 2.244 -0.502 1.00 74.32 H new ATOM 0 HB2 LYS A 8 15.161 1.246 -3.344 1.00 64.23 H new ATOM 0 HB3 LYS A 8 15.377 2.907 -2.829 1.00 64.23 H new ATOM 0 HG2 LYS A 8 17.170 2.225 -1.285 1.00 5.42 H new ATOM 0 HG3 LYS A 8 16.924 0.543 -1.709 1.00 5.42 H new ATOM 0 HD2 LYS A 8 17.510 1.038 -4.066 1.00 63.24 H new ATOM 0 HD3 LYS A 8 17.722 2.731 -3.668 1.00 63.24 H new ATOM 0 HE2 LYS A 8 19.527 2.102 -2.050 1.00 74.50 H new ATOM 0 HE3 LYS A 8 19.335 0.423 -2.512 1.00 74.50 H new ATOM 0 HZ1 LYS A 8 21.148 1.460 -3.711 1.00 42.54 H new ATOM 0 HZ2 LYS A 8 19.918 1.012 -4.793 1.00 42.54 H new ATOM 0 HZ3 LYS A 8 20.104 2.639 -4.345 1.00 42.54 H new ATOM 127 N SER A 9 12.215 1.146 -2.210 1.00 14.34 N ATOM 128 CA SER A 9 10.928 1.456 -2.811 1.00 30.13 C ATOM 129 C SER A 9 9.782 1.089 -1.881 1.00 4.15 C ATOM 130 O SER A 9 9.905 0.175 -1.064 1.00 65.31 O ATOM 131 CB SER A 9 10.777 0.719 -4.143 1.00 75.51 C ATOM 132 OG SER A 9 9.607 1.133 -4.829 1.00 14.13 O ATOM 0 H SER A 9 12.404 0.150 -2.099 1.00 14.34 H new ATOM 0 HA SER A 9 10.890 2.531 -2.988 1.00 30.13 H new ATOM 0 HB2 SER A 9 11.652 0.905 -4.766 1.00 75.51 H new ATOM 0 HB3 SER A 9 10.736 -0.355 -3.964 1.00 75.51 H new ATOM 0 HG SER A 9 9.832 1.853 -5.454 1.00 14.13 H new ATOM 138 N PHE A 10 8.667 1.802 -2.027 1.00 3.45 N ATOM 139 CA PHE A 10 7.477 1.571 -1.218 1.00 1.22 C ATOM 140 C PHE A 10 7.017 0.115 -1.292 1.00 13.33 C ATOM 141 O PHE A 10 6.665 -0.478 -0.277 1.00 42.23 O ATOM 142 CB PHE A 10 6.336 2.509 -1.650 1.00 70.23 C ATOM 143 CG PHE A 10 5.845 2.301 -3.062 1.00 41.44 C ATOM 144 CD1 PHE A 10 6.559 2.791 -4.146 1.00 45.15 C ATOM 145 CD2 PHE A 10 4.662 1.618 -3.301 1.00 61.10 C ATOM 146 CE1 PHE A 10 6.107 2.598 -5.438 1.00 33.12 C ATOM 147 CE2 PHE A 10 4.205 1.423 -4.591 1.00 74.42 C ATOM 148 CZ PHE A 10 4.928 1.915 -5.660 1.00 14.15 C ATOM 0 H PHE A 10 8.565 2.554 -2.709 1.00 3.45 H new ATOM 0 HA PHE A 10 7.741 1.787 -0.183 1.00 1.22 H new ATOM 0 HB2 PHE A 10 5.498 2.377 -0.966 1.00 70.23 H new ATOM 0 HB3 PHE A 10 6.673 3.540 -1.546 1.00 70.23 H new ATOM 0 HD1 PHE A 10 7.480 3.330 -3.978 1.00 45.15 H new ATOM 0 HD2 PHE A 10 4.091 1.234 -2.469 1.00 61.10 H new ATOM 0 HE1 PHE A 10 6.675 2.981 -6.273 1.00 33.12 H new ATOM 0 HE2 PHE A 10 3.284 0.886 -4.763 1.00 74.42 H new ATOM 0 HZ PHE A 10 4.571 1.766 -6.668 1.00 14.15 H new ATOM 158 N HIS A 11 7.046 -0.469 -2.489 1.00 32.53 N ATOM 159 CA HIS A 11 6.547 -1.830 -2.673 1.00 20.10 C ATOM 160 C HIS A 11 7.498 -2.846 -2.053 1.00 51.14 C ATOM 161 O HIS A 11 7.094 -3.943 -1.676 1.00 70.34 O ATOM 162 CB HIS A 11 6.278 -2.147 -4.160 1.00 50.45 C ATOM 163 CG HIS A 11 7.414 -1.858 -5.099 1.00 12.42 C ATOM 164 ND1 HIS A 11 7.327 -0.926 -6.111 1.00 10.22 N ATOM 165 CD2 HIS A 11 8.653 -2.394 -5.192 1.00 13.04 C ATOM 166 CE1 HIS A 11 8.463 -0.902 -6.781 1.00 32.12 C ATOM 167 NE2 HIS A 11 9.289 -1.781 -6.244 1.00 72.24 N ATOM 0 H HIS A 11 7.405 -0.028 -3.336 1.00 32.53 H new ATOM 0 HA HIS A 11 5.591 -1.901 -2.154 1.00 20.10 H new ATOM 0 HB2 HIS A 11 6.017 -3.202 -4.247 1.00 50.45 H new ATOM 0 HB3 HIS A 11 5.408 -1.576 -4.484 1.00 50.45 H new ATOM 0 HD1 HIS A 11 6.512 -0.346 -6.310 1.00 10.22 H new ATOM 0 HD2 HIS A 11 9.066 -3.163 -4.556 1.00 13.04 H new ATOM 0 HE1 HIS A 11 8.681 -0.269 -7.628 1.00 32.12 H new ATOM 176 N ASP A 12 8.763 -2.473 -1.941 1.00 72.33 N ATOM 177 CA ASP A 12 9.742 -3.311 -1.265 1.00 70.43 C ATOM 178 C ASP A 12 9.628 -3.148 0.244 1.00 63.34 C ATOM 179 O ASP A 12 9.792 -4.109 0.998 1.00 24.24 O ATOM 180 CB ASP A 12 11.161 -2.975 -1.721 1.00 15.33 C ATOM 181 CG ASP A 12 11.528 -3.647 -3.026 1.00 10.41 C ATOM 182 OD1 ASP A 12 11.930 -4.827 -2.993 1.00 53.43 O ATOM 183 OD2 ASP A 12 11.428 -2.999 -4.087 1.00 51.52 O ATOM 0 H ASP A 12 9.136 -1.598 -2.308 1.00 72.33 H new ATOM 0 HA ASP A 12 9.534 -4.348 -1.527 1.00 70.43 H new ATOM 0 HB2 ASP A 12 11.256 -1.895 -1.834 1.00 15.33 H new ATOM 0 HB3 ASP A 12 11.868 -3.279 -0.949 1.00 15.33 H new ATOM 188 N PHE A 13 9.349 -1.920 0.673 1.00 53.45 N ATOM 189 CA PHE A 13 9.172 -1.610 2.086 1.00 53.44 C ATOM 190 C PHE A 13 7.988 -2.390 2.640 1.00 32.40 C ATOM 191 O PHE A 13 8.095 -3.050 3.676 1.00 2.13 O ATOM 192 CB PHE A 13 8.945 -0.102 2.274 1.00 4.41 C ATOM 193 CG PHE A 13 9.049 0.368 3.702 1.00 44.44 C ATOM 194 CD1 PHE A 13 8.029 0.130 4.609 1.00 21.22 C ATOM 195 CD2 PHE A 13 10.171 1.057 4.133 1.00 53.43 C ATOM 196 CE1 PHE A 13 8.127 0.564 5.917 1.00 74.11 C ATOM 197 CE2 PHE A 13 10.276 1.494 5.440 1.00 32.20 C ATOM 198 CZ PHE A 13 9.252 1.249 6.333 1.00 74.35 C ATOM 0 H PHE A 13 9.240 -1.117 0.054 1.00 53.45 H new ATOM 0 HA PHE A 13 10.073 -1.897 2.628 1.00 53.44 H new ATOM 0 HB2 PHE A 13 9.673 0.441 1.671 1.00 4.41 H new ATOM 0 HB3 PHE A 13 7.958 0.156 1.890 1.00 4.41 H new ATOM 0 HD1 PHE A 13 7.145 -0.402 4.289 1.00 21.22 H new ATOM 0 HD2 PHE A 13 10.974 1.255 3.439 1.00 53.43 H new ATOM 0 HE1 PHE A 13 7.325 0.368 6.613 1.00 74.11 H new ATOM 0 HE2 PHE A 13 11.158 2.027 5.762 1.00 32.20 H new ATOM 0 HZ PHE A 13 9.330 1.592 7.354 1.00 74.35 H new ATOM 208 N VAL A 14 6.866 -2.318 1.931 1.00 4.10 N ATOM 209 CA VAL A 14 5.659 -3.029 2.328 1.00 52.14 C ATOM 210 C VAL A 14 5.917 -4.530 2.391 1.00 52.41 C ATOM 211 O VAL A 14 5.566 -5.177 3.368 1.00 73.13 O ATOM 212 CB VAL A 14 4.481 -2.755 1.365 1.00 71.55 C ATOM 213 CG1 VAL A 14 3.254 -3.550 1.781 1.00 54.54 C ATOM 214 CG2 VAL A 14 4.156 -1.271 1.318 1.00 64.41 C ATOM 0 H VAL A 14 6.769 -1.772 1.075 1.00 4.10 H new ATOM 0 HA VAL A 14 5.386 -2.660 3.316 1.00 52.14 H new ATOM 0 HB VAL A 14 4.780 -3.074 0.366 1.00 71.55 H new ATOM 0 HG11 VAL A 14 2.436 -3.344 1.091 1.00 54.54 H new ATOM 0 HG12 VAL A 14 3.486 -4.615 1.761 1.00 54.54 H new ATOM 0 HG13 VAL A 14 2.959 -3.262 2.790 1.00 54.54 H new ATOM 0 HG21 VAL A 14 3.324 -1.102 0.634 1.00 64.41 H new ATOM 0 HG22 VAL A 14 3.882 -0.927 2.315 1.00 64.41 H new ATOM 0 HG23 VAL A 14 5.029 -0.718 0.971 1.00 64.41 H new ATOM 224 N ALA A 15 6.559 -5.065 1.356 1.00 41.21 N ATOM 225 CA ALA A 15 6.843 -6.496 1.278 1.00 53.11 C ATOM 226 C ALA A 15 7.658 -6.982 2.475 1.00 25.22 C ATOM 227 O ALA A 15 7.498 -8.116 2.926 1.00 55.12 O ATOM 228 CB ALA A 15 7.570 -6.814 -0.018 1.00 55.42 C ATOM 0 H ALA A 15 6.894 -4.527 0.557 1.00 41.21 H new ATOM 0 HA ALA A 15 5.889 -7.023 1.296 1.00 53.11 H new ATOM 0 HB1 ALA A 15 7.777 -7.883 -0.066 1.00 55.42 H new ATOM 0 HB2 ALA A 15 6.947 -6.526 -0.865 1.00 55.42 H new ATOM 0 HB3 ALA A 15 8.508 -6.261 -0.054 1.00 55.42 H new ATOM 234 N SER A 16 8.528 -6.126 2.988 1.00 71.14 N ATOM 235 CA SER A 16 9.355 -6.489 4.126 1.00 30.03 C ATOM 236 C SER A 16 8.609 -6.284 5.437 1.00 14.31 C ATOM 237 O SER A 16 8.544 -7.191 6.264 1.00 74.14 O ATOM 238 CB SER A 16 10.648 -5.674 4.128 1.00 44.51 C ATOM 239 OG SER A 16 11.495 -6.057 5.198 1.00 54.42 O ATOM 0 H SER A 16 8.679 -5.181 2.636 1.00 71.14 H new ATOM 0 HA SER A 16 9.601 -7.547 4.035 1.00 30.03 H new ATOM 0 HB2 SER A 16 11.169 -5.812 3.181 1.00 44.51 H new ATOM 0 HB3 SER A 16 10.412 -4.613 4.210 1.00 44.51 H new ATOM 0 HG SER A 16 12.208 -5.393 5.305 1.00 54.42 H new ATOM 245 N TYR A 17 8.038 -5.100 5.620 1.00 42.30 N ATOM 246 CA TYR A 17 7.365 -4.763 6.868 1.00 3.41 C ATOM 247 C TYR A 17 6.127 -5.635 7.066 1.00 55.40 C ATOM 248 O TYR A 17 5.717 -5.899 8.201 1.00 23.51 O ATOM 249 CB TYR A 17 6.990 -3.278 6.911 1.00 32.23 C ATOM 250 CG TYR A 17 6.592 -2.810 8.293 1.00 51.45 C ATOM 251 CD1 TYR A 17 7.557 -2.570 9.263 1.00 3.33 C ATOM 252 CD2 TYR A 17 5.258 -2.632 8.637 1.00 70.35 C ATOM 253 CE1 TYR A 17 7.205 -2.160 10.534 1.00 15.30 C ATOM 254 CE2 TYR A 17 4.899 -2.226 9.908 1.00 55.13 C ATOM 255 CZ TYR A 17 5.876 -1.993 10.852 1.00 12.13 C ATOM 256 OH TYR A 17 5.519 -1.595 12.120 1.00 0.24 O ATOM 0 H TYR A 17 8.027 -4.358 4.921 1.00 42.30 H new ATOM 0 HA TYR A 17 8.059 -4.958 7.685 1.00 3.41 H new ATOM 0 HB2 TYR A 17 7.835 -2.685 6.562 1.00 32.23 H new ATOM 0 HB3 TYR A 17 6.166 -3.097 6.220 1.00 32.23 H new ATOM 0 HD1 TYR A 17 8.600 -2.706 9.019 1.00 3.33 H new ATOM 0 HD2 TYR A 17 4.490 -2.814 7.900 1.00 70.35 H new ATOM 0 HE1 TYR A 17 7.968 -1.971 11.274 1.00 15.30 H new ATOM 0 HE2 TYR A 17 3.858 -2.092 10.161 1.00 55.13 H new ATOM 0 HH TYR A 17 4.543 -1.524 12.178 1.00 0.24 H new ATOM 266 N MET A 18 5.541 -6.072 5.951 1.00 41.33 N ATOM 267 CA MET A 18 4.345 -6.912 5.958 1.00 33.21 C ATOM 268 C MET A 18 4.516 -8.136 6.849 1.00 31.34 C ATOM 269 O MET A 18 3.535 -8.646 7.377 1.00 44.31 O ATOM 270 CB MET A 18 3.985 -7.352 4.536 1.00 63.44 C ATOM 271 CG MET A 18 2.694 -8.154 4.450 1.00 54.20 C ATOM 272 SD MET A 18 1.262 -7.250 5.075 1.00 50.25 S ATOM 273 CE MET A 18 1.200 -5.865 3.940 1.00 54.11 C ATOM 0 H MET A 18 5.884 -5.852 5.016 1.00 41.33 H new ATOM 0 HA MET A 18 3.533 -6.310 6.365 1.00 33.21 H new ATOM 0 HB2 MET A 18 3.896 -6.469 3.904 1.00 63.44 H new ATOM 0 HB3 MET A 18 4.802 -7.951 4.133 1.00 63.44 H new ATOM 0 HG2 MET A 18 2.515 -8.435 3.412 1.00 54.20 H new ATOM 0 HG3 MET A 18 2.808 -9.079 5.015 1.00 54.20 H new ATOM 0 HE1 MET A 18 0.233 -5.369 4.023 1.00 54.11 H new ATOM 0 HE2 MET A 18 1.993 -5.158 4.185 1.00 54.11 H new ATOM 0 HE3 MET A 18 1.337 -6.224 2.920 1.00 54.11 H new ATOM 283 N LYS A 19 5.755 -8.610 7.010 1.00 14.34 N ATOM 284 CA LYS A 19 6.029 -9.761 7.879 1.00 33.20 C ATOM 285 C LYS A 19 5.405 -9.577 9.269 1.00 44.02 C ATOM 286 O LYS A 19 5.016 -10.547 9.919 1.00 13.21 O ATOM 287 CB LYS A 19 7.536 -9.988 8.023 1.00 3.12 C ATOM 288 CG LYS A 19 8.256 -8.876 8.772 1.00 34.43 C ATOM 289 CD LYS A 19 9.740 -9.165 8.919 1.00 71.45 C ATOM 290 CE LYS A 19 9.990 -10.416 9.746 1.00 41.33 C ATOM 291 NZ LYS A 19 11.440 -10.691 9.908 1.00 73.40 N ATOM 0 H LYS A 19 6.579 -8.219 6.554 1.00 14.34 H new ATOM 0 HA LYS A 19 5.577 -10.634 7.408 1.00 33.20 H new ATOM 0 HB2 LYS A 19 7.704 -10.931 8.543 1.00 3.12 H new ATOM 0 HB3 LYS A 19 7.975 -10.088 7.031 1.00 3.12 H new ATOM 0 HG2 LYS A 19 8.120 -7.933 8.242 1.00 34.43 H new ATOM 0 HG3 LYS A 19 7.810 -8.754 9.759 1.00 34.43 H new ATOM 0 HD2 LYS A 19 10.187 -9.286 7.932 1.00 71.45 H new ATOM 0 HD3 LYS A 19 10.232 -8.314 9.389 1.00 71.45 H new ATOM 0 HE2 LYS A 19 9.530 -10.300 10.728 1.00 41.33 H new ATOM 0 HE3 LYS A 19 9.510 -11.270 9.268 1.00 41.33 H new ATOM 0 HZ1 LYS A 19 11.569 -11.552 10.478 1.00 73.40 H new ATOM 0 HZ2 LYS A 19 11.874 -10.827 8.973 1.00 73.40 H new ATOM 0 HZ3 LYS A 19 11.894 -9.888 10.387 1.00 73.40 H new ATOM 305 N THR A 20 5.301 -8.324 9.707 1.00 62.15 N ATOM 306 CA THR A 20 4.738 -8.005 11.010 1.00 74.45 C ATOM 307 C THR A 20 3.225 -8.238 11.017 1.00 63.44 C ATOM 308 O THR A 20 2.618 -8.466 12.064 1.00 0.52 O ATOM 309 CB THR A 20 5.029 -6.536 11.381 1.00 62.53 C ATOM 310 OG1 THR A 20 6.381 -6.201 11.032 1.00 32.44 O ATOM 311 CG2 THR A 20 4.816 -6.294 12.870 1.00 72.01 C ATOM 0 H THR A 20 5.603 -7.510 9.171 1.00 62.15 H new ATOM 0 HA THR A 20 5.204 -8.661 11.745 1.00 74.45 H new ATOM 0 HB THR A 20 4.337 -5.904 10.824 1.00 62.53 H new ATOM 0 HG1 THR A 20 6.424 -5.963 10.082 1.00 32.44 H new ATOM 0 HG21 THR A 20 5.028 -5.251 13.103 1.00 72.01 H new ATOM 0 HG22 THR A 20 3.782 -6.521 13.131 1.00 72.01 H new ATOM 0 HG23 THR A 20 5.485 -6.937 13.442 1.00 72.01 H new ATOM 319 N TYR A 21 2.625 -8.179 9.836 1.00 74.42 N ATOM 320 CA TYR A 21 1.194 -8.345 9.688 1.00 32.32 C ATOM 321 C TYR A 21 0.846 -9.742 9.189 1.00 44.03 C ATOM 322 O TYR A 21 -0.181 -10.294 9.562 1.00 51.11 O ATOM 323 CB TYR A 21 0.657 -7.288 8.728 1.00 45.25 C ATOM 324 CG TYR A 21 0.796 -5.880 9.257 1.00 43.15 C ATOM 325 CD1 TYR A 21 -0.124 -5.366 10.163 1.00 45.55 C ATOM 326 CD2 TYR A 21 1.852 -5.070 8.864 1.00 41.02 C ATOM 327 CE1 TYR A 21 0.007 -4.085 10.660 1.00 52.54 C ATOM 328 CE2 TYR A 21 1.986 -3.788 9.356 1.00 41.24 C ATOM 329 CZ TYR A 21 1.063 -3.301 10.255 1.00 34.24 C ATOM 330 OH TYR A 21 1.201 -2.025 10.753 1.00 24.23 O ATOM 0 H TYR A 21 3.119 -8.015 8.959 1.00 74.42 H new ATOM 0 HA TYR A 21 0.728 -8.220 10.665 1.00 32.32 H new ATOM 0 HB2 TYR A 21 1.186 -7.366 7.778 1.00 45.25 H new ATOM 0 HB3 TYR A 21 -0.395 -7.491 8.525 1.00 45.25 H new ATOM 0 HD1 TYR A 21 -0.954 -5.978 10.483 1.00 45.55 H new ATOM 0 HD2 TYR A 21 2.580 -5.449 8.162 1.00 41.02 H new ATOM 0 HE1 TYR A 21 -0.716 -3.700 11.364 1.00 52.54 H new ATOM 0 HE2 TYR A 21 2.811 -3.169 9.037 1.00 41.24 H new ATOM 0 HH TYR A 21 0.826 -1.984 11.657 1.00 24.23 H new ATOM 340 N SER A 22 1.707 -10.316 8.356 1.00 73.14 N ATOM 341 CA SER A 22 1.472 -11.646 7.802 1.00 54.01 C ATOM 342 C SER A 22 1.527 -12.710 8.892 1.00 24.23 C ATOM 343 O SER A 22 0.937 -13.782 8.762 1.00 63.44 O ATOM 344 CB SER A 22 2.493 -11.952 6.706 1.00 33.40 C ATOM 345 OG SER A 22 3.818 -11.768 7.174 1.00 11.32 O ATOM 0 H SER A 22 2.576 -9.880 8.048 1.00 73.14 H new ATOM 0 HA SER A 22 0.473 -11.661 7.366 1.00 54.01 H new ATOM 0 HB2 SER A 22 2.365 -12.979 6.363 1.00 33.40 H new ATOM 0 HB3 SER A 22 2.314 -11.304 5.848 1.00 33.40 H new ATOM 0 HG SER A 22 4.449 -12.150 6.529 1.00 11.32 H new ATOM 351 N ARG A 23 2.230 -12.402 9.976 1.00 45.32 N ATOM 352 CA ARG A 23 2.292 -13.292 11.127 1.00 5.14 C ATOM 353 C ARG A 23 0.924 -13.355 11.808 1.00 42.45 C ATOM 354 O ARG A 23 0.631 -14.271 12.576 1.00 41.11 O ATOM 355 CB ARG A 23 3.356 -12.798 12.109 1.00 61.43 C ATOM 356 CG ARG A 23 4.307 -13.886 12.583 1.00 32.11 C ATOM 357 CD ARG A 23 3.594 -14.937 13.418 1.00 24.51 C ATOM 358 NE ARG A 23 4.460 -16.070 13.730 1.00 3.23 N ATOM 359 CZ ARG A 23 4.466 -16.706 14.902 1.00 71.03 C ATOM 360 NH1 ARG A 23 3.679 -16.299 15.890 1.00 34.34 N ATOM 361 NH2 ARG A 23 5.264 -17.748 15.085 1.00 53.54 N ATOM 0 H ARG A 23 2.766 -11.540 10.081 1.00 45.32 H new ATOM 0 HA ARG A 23 2.563 -14.294 10.794 1.00 5.14 H new ATOM 0 HB2 ARG A 23 3.934 -12.005 11.635 1.00 61.43 H new ATOM 0 HB3 ARG A 23 2.861 -12.358 12.975 1.00 61.43 H new ATOM 0 HG2 ARG A 23 4.773 -14.362 11.720 1.00 32.11 H new ATOM 0 HG3 ARG A 23 5.108 -13.437 13.171 1.00 32.11 H new ATOM 0 HD2 ARG A 23 3.241 -14.485 14.345 1.00 24.51 H new ATOM 0 HD3 ARG A 23 2.714 -15.291 12.881 1.00 24.51 H new ATOM 0 HE ARG A 23 5.101 -16.396 13.006 1.00 3.23 H new ATOM 0 HH11 ARG A 23 3.065 -15.496 15.755 1.00 34.34 H new ATOM 0 HH12 ARG A 23 3.688 -16.790 16.784 1.00 34.34 H new ATOM 0 HH21 ARG A 23 5.873 -18.063 14.330 1.00 53.54 H new ATOM 0 HH22 ARG A 23 5.269 -18.235 15.981 1.00 53.54 H new ATOM 375 N ARG A 24 0.088 -12.374 11.502 1.00 64.31 N ATOM 376 CA ARG A 24 -1.259 -12.298 12.047 1.00 11.11 C ATOM 377 C ARG A 24 -2.282 -12.145 10.923 1.00 14.55 C ATOM 378 O ARG A 24 -3.398 -11.667 11.135 1.00 54.20 O ATOM 379 CB ARG A 24 -1.362 -11.141 13.048 1.00 73.13 C ATOM 380 CG ARG A 24 -0.552 -9.914 12.659 1.00 5.13 C ATOM 381 CD ARG A 24 -0.639 -8.824 13.716 1.00 4.54 C ATOM 382 NE ARG A 24 0.343 -7.762 13.491 1.00 53.25 N ATOM 383 CZ ARG A 24 0.115 -6.473 13.739 1.00 54.15 C ATOM 384 NH1 ARG A 24 -1.086 -6.068 14.123 1.00 72.42 N ATOM 385 NH2 ARG A 24 1.087 -5.580 13.582 1.00 62.41 N ATOM 0 H ARG A 24 0.324 -11.609 10.870 1.00 64.31 H new ATOM 0 HA ARG A 24 -1.477 -13.226 12.576 1.00 11.11 H new ATOM 0 HB2 ARG A 24 -2.409 -10.855 13.151 1.00 73.13 H new ATOM 0 HB3 ARG A 24 -1.029 -11.489 14.026 1.00 73.13 H new ATOM 0 HG2 ARG A 24 0.490 -10.197 12.513 1.00 5.13 H new ATOM 0 HG3 ARG A 24 -0.913 -9.527 11.706 1.00 5.13 H new ATOM 0 HD2 ARG A 24 -1.642 -8.397 13.714 1.00 4.54 H new ATOM 0 HD3 ARG A 24 -0.480 -9.261 14.702 1.00 4.54 H new ATOM 0 HE ARG A 24 1.257 -8.025 13.122 1.00 53.25 H new ATOM 0 HH11 ARG A 24 -1.842 -6.744 14.230 1.00 72.42 H new ATOM 0 HH12 ARG A 24 -1.255 -5.080 14.312 1.00 72.42 H new ATOM 0 HH21 ARG A 24 2.011 -5.881 13.271 1.00 62.41 H new ATOM 0 HH22 ARG A 24 0.909 -4.594 13.773 1.00 62.41 H new ATOM 399 N LEU A 25 -1.892 -12.578 9.732 1.00 3.22 N ATOM 400 CA LEU A 25 -2.760 -12.549 8.566 1.00 71.53 C ATOM 401 C LEU A 25 -2.847 -13.953 8.007 1.00 13.01 C ATOM 402 O LEU A 25 -2.131 -14.849 8.461 1.00 11.33 O ATOM 403 CB LEU A 25 -2.193 -11.618 7.482 1.00 52.04 C ATOM 404 CG LEU A 25 -3.217 -10.942 6.573 1.00 64.51 C ATOM 405 CD1 LEU A 25 -4.305 -10.268 7.396 1.00 20.51 C ATOM 406 CD2 LEU A 25 -2.517 -9.925 5.682 1.00 54.22 C ATOM 0 H LEU A 25 -0.964 -12.959 9.548 1.00 3.22 H new ATOM 0 HA LEU A 25 -3.742 -12.179 8.861 1.00 71.53 H new ATOM 0 HB2 LEU A 25 -1.603 -10.842 7.970 1.00 52.04 H new ATOM 0 HB3 LEU A 25 -1.509 -12.194 6.859 1.00 52.04 H new ATOM 0 HG LEU A 25 -3.688 -11.700 5.948 1.00 64.51 H new ATOM 0 HD11 LEU A 25 -5.024 -9.793 6.729 1.00 20.51 H new ATOM 0 HD12 LEU A 25 -4.814 -11.014 8.006 1.00 20.51 H new ATOM 0 HD13 LEU A 25 -3.857 -9.514 8.043 1.00 20.51 H new ATOM 0 HD21 LEU A 25 -3.250 -9.444 5.034 1.00 54.22 H new ATOM 0 HD22 LEU A 25 -2.031 -9.172 6.302 1.00 54.22 H new ATOM 0 HD23 LEU A 25 -1.769 -10.430 5.071 1.00 54.22 H new ATOM 418 N GLU A 26 -3.710 -14.153 7.034 1.00 22.44 N ATOM 419 CA GLU A 26 -3.712 -15.386 6.294 1.00 24.14 C ATOM 420 C GLU A 26 -2.850 -15.236 5.056 1.00 2.11 C ATOM 421 O GLU A 26 -2.458 -14.124 4.691 1.00 62.22 O ATOM 422 CB GLU A 26 -5.126 -15.815 5.945 1.00 50.24 C ATOM 423 CG GLU A 26 -6.000 -14.714 5.416 1.00 73.22 C ATOM 424 CD GLU A 26 -6.145 -14.758 3.915 1.00 74.31 C ATOM 425 OE1 GLU A 26 -6.753 -15.721 3.397 1.00 63.15 O ATOM 426 OE2 GLU A 26 -5.639 -13.850 3.246 1.00 51.14 O ATOM 0 H GLU A 26 -4.415 -13.477 6.741 1.00 22.44 H new ATOM 0 HA GLU A 26 -3.289 -16.175 6.916 1.00 24.14 H new ATOM 0 HB2 GLU A 26 -5.077 -16.611 5.202 1.00 50.24 H new ATOM 0 HB3 GLU A 26 -5.594 -16.237 6.834 1.00 50.24 H new ATOM 0 HG2 GLU A 26 -6.986 -14.786 5.875 1.00 73.22 H new ATOM 0 HG3 GLU A 26 -5.582 -13.751 5.709 1.00 73.22 H new ATOM 433 N ILE A 27 -2.552 -16.346 4.415 1.00 12.34 N ATOM 434 CA ILE A 27 -1.626 -16.342 3.295 1.00 44.31 C ATOM 435 C ILE A 27 -2.303 -15.813 2.036 1.00 4.35 C ATOM 436 O ILE A 27 -1.648 -15.228 1.178 1.00 73.44 O ATOM 437 CB ILE A 27 -1.048 -17.755 3.033 1.00 24.33 C ATOM 438 CG1 ILE A 27 -0.363 -18.296 4.294 1.00 22.51 C ATOM 439 CG2 ILE A 27 -0.065 -17.733 1.869 1.00 11.22 C ATOM 440 CD1 ILE A 27 0.783 -17.434 4.787 1.00 0.31 C ATOM 0 H ILE A 27 -2.935 -17.263 4.647 1.00 12.34 H new ATOM 0 HA ILE A 27 -0.800 -15.680 3.557 1.00 44.31 H new ATOM 0 HB ILE A 27 -1.875 -18.415 2.771 1.00 24.33 H new ATOM 0 HG12 ILE A 27 -1.104 -18.387 5.088 1.00 22.51 H new ATOM 0 HG13 ILE A 27 0.011 -19.299 4.091 1.00 22.51 H new ATOM 0 HG21 ILE A 27 0.327 -18.737 1.705 1.00 11.22 H new ATOM 0 HG22 ILE A 27 -0.575 -17.391 0.968 1.00 11.22 H new ATOM 0 HG23 ILE A 27 0.757 -17.056 2.100 1.00 11.22 H new ATOM 0 HD11 ILE A 27 1.216 -17.882 5.681 1.00 0.31 H new ATOM 0 HD12 ILE A 27 1.545 -17.363 4.011 1.00 0.31 H new ATOM 0 HD13 ILE A 27 0.412 -16.437 5.024 1.00 0.31 H new ATOM 452 N GLY A 28 -3.621 -15.985 1.964 1.00 61.21 N ATOM 453 CA GLY A 28 -4.377 -15.618 0.777 1.00 24.01 C ATOM 454 C GLY A 28 -4.092 -14.209 0.288 1.00 12.24 C ATOM 455 O GLY A 28 -3.649 -14.019 -0.847 1.00 54.12 O ATOM 0 H GLY A 28 -4.185 -16.377 2.718 1.00 61.21 H new ATOM 0 HA2 GLY A 28 -4.149 -16.324 -0.022 1.00 24.01 H new ATOM 0 HA3 GLY A 28 -5.442 -15.711 0.991 1.00 24.01 H new ATOM 459 N THR A 29 -4.335 -13.219 1.133 1.00 13.21 N ATOM 460 CA THR A 29 -4.115 -11.835 0.749 1.00 14.41 C ATOM 461 C THR A 29 -2.618 -11.515 0.677 1.00 43.32 C ATOM 462 O THR A 29 -2.175 -10.841 -0.260 1.00 14.03 O ATOM 463 CB THR A 29 -4.848 -10.844 1.689 1.00 61.53 C ATOM 464 OG1 THR A 29 -4.636 -9.492 1.258 1.00 14.41 O ATOM 465 CG2 THR A 29 -4.391 -10.998 3.128 1.00 21.11 C ATOM 0 H THR A 29 -4.682 -13.348 2.083 1.00 13.21 H new ATOM 0 HA THR A 29 -4.541 -11.709 -0.246 1.00 14.41 H new ATOM 0 HB THR A 29 -5.912 -11.077 1.641 1.00 61.53 H new ATOM 0 HG1 THR A 29 -5.106 -8.879 1.861 1.00 14.41 H new ATOM 0 HG21 THR A 29 -4.926 -10.287 3.758 1.00 21.11 H new ATOM 0 HG22 THR A 29 -4.598 -12.012 3.469 1.00 21.11 H new ATOM 0 HG23 THR A 29 -3.320 -10.805 3.192 1.00 21.11 H new ATOM 473 N PHE A 30 -1.837 -12.016 1.645 1.00 71.13 N ATOM 474 CA PHE A 30 -0.386 -11.842 1.625 1.00 2.11 C ATOM 475 C PHE A 30 0.221 -12.235 0.271 1.00 0.31 C ATOM 476 O PHE A 30 0.916 -11.431 -0.353 1.00 41.54 O ATOM 477 CB PHE A 30 0.261 -12.664 2.746 1.00 3.22 C ATOM 478 CG PHE A 30 1.764 -12.634 2.732 1.00 40.13 C ATOM 479 CD1 PHE A 30 2.452 -11.489 3.098 1.00 1.45 C ATOM 480 CD2 PHE A 30 2.489 -13.751 2.346 1.00 33.31 C ATOM 481 CE1 PHE A 30 3.833 -11.458 3.083 1.00 33.20 C ATOM 482 CE2 PHE A 30 3.870 -13.726 2.328 1.00 73.21 C ATOM 483 CZ PHE A 30 4.543 -12.577 2.697 1.00 23.14 C ATOM 0 H PHE A 30 -2.188 -12.542 2.446 1.00 71.13 H new ATOM 0 HA PHE A 30 -0.182 -10.783 1.785 1.00 2.11 H new ATOM 0 HB2 PHE A 30 -0.091 -12.290 3.707 1.00 3.22 H new ATOM 0 HB3 PHE A 30 -0.073 -13.698 2.664 1.00 3.22 H new ATOM 0 HD1 PHE A 30 1.902 -10.610 3.399 1.00 1.45 H new ATOM 0 HD2 PHE A 30 1.968 -14.651 2.056 1.00 33.31 H new ATOM 0 HE1 PHE A 30 4.357 -10.559 3.373 1.00 33.20 H new ATOM 0 HE2 PHE A 30 4.423 -14.603 2.026 1.00 73.21 H new ATOM 0 HZ PHE A 30 5.623 -12.555 2.683 1.00 23.14 H new ATOM 493 N ARG A 31 -0.065 -13.449 -0.197 1.00 44.30 N ATOM 494 CA ARG A 31 0.529 -13.949 -1.441 1.00 61.41 C ATOM 495 C ARG A 31 0.016 -13.179 -2.655 1.00 72.12 C ATOM 496 O ARG A 31 0.719 -13.044 -3.655 1.00 13.02 O ATOM 497 CB ARG A 31 0.255 -15.450 -1.623 1.00 60.14 C ATOM 498 CG ARG A 31 -1.223 -15.805 -1.638 1.00 61.55 C ATOM 499 CD ARG A 31 -1.454 -17.296 -1.822 1.00 61.14 C ATOM 500 NE ARG A 31 -1.362 -17.701 -3.222 1.00 22.20 N ATOM 501 CZ ARG A 31 -2.371 -18.243 -3.902 1.00 14.41 C ATOM 502 NH1 ARG A 31 -3.528 -18.496 -3.293 1.00 11.12 N ATOM 503 NH2 ARG A 31 -2.212 -18.554 -5.180 1.00 50.41 N ATOM 0 H ARG A 31 -0.700 -14.103 0.261 1.00 44.30 H new ATOM 0 HA ARG A 31 1.605 -13.795 -1.364 1.00 61.41 H new ATOM 0 HB2 ARG A 31 0.709 -15.782 -2.557 1.00 60.14 H new ATOM 0 HB3 ARG A 31 0.743 -15.999 -0.818 1.00 60.14 H new ATOM 0 HG2 ARG A 31 -1.682 -15.481 -0.704 1.00 61.55 H new ATOM 0 HG3 ARG A 31 -1.717 -15.261 -2.442 1.00 61.55 H new ATOM 0 HD2 ARG A 31 -0.720 -17.850 -1.236 1.00 61.14 H new ATOM 0 HD3 ARG A 31 -2.438 -17.560 -1.433 1.00 61.14 H new ATOM 0 HE ARG A 31 -0.475 -17.561 -3.706 1.00 22.20 H new ATOM 0 HH11 ARG A 31 -3.643 -18.275 -2.304 1.00 11.12 H new ATOM 0 HH12 ARG A 31 -4.299 -18.911 -3.816 1.00 11.12 H new ATOM 0 HH21 ARG A 31 -1.319 -18.378 -5.640 1.00 50.41 H new ATOM 0 HH22 ARG A 31 -2.983 -18.969 -5.704 1.00 50.41 H new ATOM 517 N HIS A 32 -1.204 -12.665 -2.566 1.00 70.21 N ATOM 518 CA HIS A 32 -1.793 -11.936 -3.683 1.00 32.31 C ATOM 519 C HIS A 32 -1.108 -10.587 -3.884 1.00 64.25 C ATOM 520 O HIS A 32 -0.811 -10.199 -5.013 1.00 75.02 O ATOM 521 CB HIS A 32 -3.304 -11.754 -3.495 1.00 21.30 C ATOM 522 CG HIS A 32 -4.108 -12.938 -3.947 1.00 1.40 C ATOM 523 ND1 HIS A 32 -5.182 -13.444 -3.243 1.00 51.31 N ATOM 524 CD2 HIS A 32 -3.996 -13.709 -5.057 1.00 33.53 C ATOM 525 CE1 HIS A 32 -5.691 -14.472 -3.897 1.00 3.54 C ATOM 526 NE2 HIS A 32 -4.990 -14.654 -5.001 1.00 14.33 N ATOM 0 H HIS A 32 -1.800 -12.738 -1.741 1.00 70.21 H new ATOM 0 HA HIS A 32 -1.636 -12.533 -4.582 1.00 32.31 H new ATOM 0 HB2 HIS A 32 -3.511 -11.564 -2.442 1.00 21.30 H new ATOM 0 HB3 HIS A 32 -3.628 -10.872 -4.048 1.00 21.30 H new ATOM 0 HD2 HIS A 32 -3.261 -13.600 -5.840 1.00 33.53 H new ATOM 0 HE1 HIS A 32 -6.538 -15.064 -3.582 1.00 3.54 H new ATOM 0 HE2 HIS A 32 -5.159 -15.379 -5.699 1.00 14.33 H new ATOM 535 N HIS A 33 -0.835 -9.885 -2.792 1.00 61.32 N ATOM 536 CA HIS A 33 -0.150 -8.597 -2.886 1.00 62.53 C ATOM 537 C HIS A 33 1.345 -8.805 -3.120 1.00 12.12 C ATOM 538 O HIS A 33 2.021 -7.947 -3.691 1.00 24.12 O ATOM 539 CB HIS A 33 -0.367 -7.755 -1.622 1.00 53.03 C ATOM 540 CG HIS A 33 -1.796 -7.364 -1.376 1.00 5.55 C ATOM 541 ND1 HIS A 33 -2.460 -6.398 -2.107 1.00 72.20 N ATOM 542 CD2 HIS A 33 -2.690 -7.819 -0.466 1.00 32.13 C ATOM 543 CE1 HIS A 33 -3.696 -6.279 -1.652 1.00 53.22 C ATOM 544 NE2 HIS A 33 -3.860 -7.130 -0.657 1.00 73.31 N ATOM 0 H HIS A 33 -1.072 -10.177 -1.844 1.00 61.32 H new ATOM 0 HA HIS A 33 -0.575 -8.057 -3.733 1.00 62.53 H new ATOM 0 HB2 HIS A 33 -0.002 -8.314 -0.760 1.00 53.03 H new ATOM 0 HB3 HIS A 33 0.237 -6.851 -1.694 1.00 53.03 H new ATOM 0 HD2 HIS A 33 -2.514 -8.585 0.275 1.00 32.13 H new ATOM 0 HE1 HIS A 33 -4.445 -5.600 -2.031 1.00 53.22 H new ATOM 0 HE2 HIS A 33 -4.717 -7.255 -0.118 1.00 73.31 H new ATOM 553 N LYS A 34 1.842 -9.960 -2.683 1.00 55.50 N ATOM 554 CA LYS A 34 3.257 -10.306 -2.798 1.00 60.54 C ATOM 555 C LYS A 34 3.716 -10.294 -4.257 1.00 23.54 C ATOM 556 O LYS A 34 4.738 -9.689 -4.593 1.00 24.44 O ATOM 557 CB LYS A 34 3.498 -11.693 -2.190 1.00 33.41 C ATOM 558 CG LYS A 34 4.953 -12.129 -2.193 1.00 4.14 C ATOM 559 CD LYS A 34 5.105 -13.560 -1.701 1.00 72.24 C ATOM 560 CE LYS A 34 6.561 -13.986 -1.688 1.00 62.32 C ATOM 561 NZ LYS A 34 6.726 -15.411 -1.297 1.00 1.14 N ATOM 0 H LYS A 34 1.275 -10.683 -2.239 1.00 55.50 H new ATOM 0 HA LYS A 34 3.836 -9.558 -2.256 1.00 60.54 H new ATOM 0 HB2 LYS A 34 3.131 -11.696 -1.164 1.00 33.41 H new ATOM 0 HB3 LYS A 34 2.909 -12.426 -2.741 1.00 33.41 H new ATOM 0 HG2 LYS A 34 5.357 -12.045 -3.202 1.00 4.14 H new ATOM 0 HG3 LYS A 34 5.536 -11.461 -1.559 1.00 4.14 H new ATOM 0 HD2 LYS A 34 4.689 -13.648 -0.697 1.00 72.24 H new ATOM 0 HD3 LYS A 34 4.533 -14.230 -2.343 1.00 72.24 H new ATOM 0 HE2 LYS A 34 6.992 -13.830 -2.677 1.00 62.32 H new ATOM 0 HE3 LYS A 34 7.116 -13.354 -0.995 1.00 62.32 H new ATOM 0 HZ1 LYS A 34 7.736 -15.658 -1.302 1.00 1.14 H new ATOM 0 HZ2 LYS A 34 6.339 -15.556 -0.343 1.00 1.14 H new ATOM 0 HZ3 LYS A 34 6.218 -16.017 -1.973 1.00 1.14 H new ATOM 575 N SER A 35 2.956 -10.964 -5.116 1.00 43.04 N ATOM 576 CA SER A 35 3.289 -11.053 -6.534 1.00 13.45 C ATOM 577 C SER A 35 3.151 -9.691 -7.214 1.00 62.34 C ATOM 578 O SER A 35 3.942 -9.333 -8.088 1.00 52.50 O ATOM 579 CB SER A 35 2.371 -12.069 -7.212 1.00 4.41 C ATOM 580 OG SER A 35 2.311 -13.270 -6.462 1.00 3.32 O ATOM 0 H SER A 35 2.101 -11.456 -4.854 1.00 43.04 H new ATOM 0 HA SER A 35 4.326 -11.377 -6.628 1.00 13.45 H new ATOM 0 HB2 SER A 35 1.370 -11.649 -7.316 1.00 4.41 H new ATOM 0 HB3 SER A 35 2.734 -12.280 -8.218 1.00 4.41 H new ATOM 0 HG SER A 35 1.717 -13.907 -6.911 1.00 3.32 H new ATOM 586 N CYS A 36 2.156 -8.928 -6.780 1.00 3.41 N ATOM 587 CA CYS A 36 1.847 -7.640 -7.385 1.00 62.35 C ATOM 588 C CYS A 36 2.986 -6.645 -7.204 1.00 40.24 C ATOM 589 O CYS A 36 3.507 -6.102 -8.173 1.00 20.53 O ATOM 590 CB CYS A 36 0.565 -7.077 -6.773 1.00 73.51 C ATOM 591 SG CYS A 36 -0.904 -8.083 -7.086 1.00 44.42 S ATOM 0 H CYS A 36 1.545 -9.183 -6.004 1.00 3.41 H new ATOM 0 HA CYS A 36 1.709 -7.797 -8.455 1.00 62.35 H new ATOM 0 HB2 CYS A 36 0.702 -6.978 -5.696 1.00 73.51 H new ATOM 0 HB3 CYS A 36 0.397 -6.075 -7.167 1.00 73.51 H new ATOM 0 HG CYS A 36 -0.829 -9.185 -6.400 1.00 44.42 H new ATOM 597 N MET A 37 3.375 -6.428 -5.956 1.00 4.22 N ATOM 598 CA MET A 37 4.366 -5.407 -5.619 1.00 25.22 C ATOM 599 C MET A 37 5.722 -5.657 -6.283 1.00 5.10 C ATOM 600 O MET A 37 6.486 -4.717 -6.516 1.00 53.53 O ATOM 601 CB MET A 37 4.536 -5.314 -4.103 1.00 43.04 C ATOM 602 CG MET A 37 3.291 -4.811 -3.387 1.00 74.22 C ATOM 603 SD MET A 37 3.530 -4.632 -1.609 1.00 1.13 S ATOM 604 CE MET A 37 3.855 -6.327 -1.134 1.00 24.32 C ATOM 0 H MET A 37 3.019 -6.947 -5.153 1.00 4.22 H new ATOM 0 HA MET A 37 3.988 -4.461 -6.006 1.00 25.22 H new ATOM 0 HB2 MET A 37 4.799 -6.297 -3.713 1.00 43.04 H new ATOM 0 HB3 MET A 37 5.370 -4.649 -3.878 1.00 43.04 H new ATOM 0 HG2 MET A 37 2.999 -3.849 -3.808 1.00 74.22 H new ATOM 0 HG3 MET A 37 2.468 -5.502 -3.570 1.00 74.22 H new ATOM 0 HE1 MET A 37 3.847 -6.408 -0.047 1.00 24.32 H new ATOM 0 HE2 MET A 37 3.085 -6.976 -1.552 1.00 24.32 H new ATOM 0 HE3 MET A 37 4.831 -6.631 -1.513 1.00 24.32 H new ATOM 614 N ARG A 38 6.020 -6.914 -6.585 1.00 50.01 N ATOM 615 CA ARG A 38 7.285 -7.270 -7.202 1.00 15.23 C ATOM 616 C ARG A 38 7.342 -6.804 -8.651 1.00 35.32 C ATOM 617 O ARG A 38 8.286 -6.136 -9.061 1.00 15.21 O ATOM 618 CB ARG A 38 7.478 -8.778 -7.141 1.00 4.43 C ATOM 619 CG ARG A 38 8.916 -9.213 -7.363 1.00 2.10 C ATOM 620 CD ARG A 38 9.879 -8.413 -6.499 1.00 40.52 C ATOM 621 NE ARG A 38 9.577 -8.512 -5.070 1.00 53.13 N ATOM 622 CZ ARG A 38 10.090 -7.696 -4.145 1.00 14.14 C ATOM 623 NH1 ARG A 38 10.915 -6.718 -4.507 1.00 42.05 N ATOM 624 NH2 ARG A 38 9.786 -7.864 -2.863 1.00 24.40 N ATOM 0 H ARG A 38 5.399 -7.704 -6.411 1.00 50.01 H new ATOM 0 HA ARG A 38 8.084 -6.773 -6.652 1.00 15.23 H new ATOM 0 HB2 ARG A 38 7.143 -9.140 -6.169 1.00 4.43 H new ATOM 0 HB3 ARG A 38 6.844 -9.248 -7.893 1.00 4.43 H new ATOM 0 HG2 ARG A 38 9.016 -10.274 -7.135 1.00 2.10 H new ATOM 0 HG3 ARG A 38 9.177 -9.087 -8.414 1.00 2.10 H new ATOM 0 HD2 ARG A 38 10.896 -8.764 -6.676 1.00 40.52 H new ATOM 0 HD3 ARG A 38 9.846 -7.366 -6.801 1.00 40.52 H new ATOM 0 HE ARG A 38 8.938 -9.246 -4.763 1.00 53.13 H new ATOM 0 HH11 ARG A 38 11.156 -6.591 -5.490 1.00 42.05 H new ATOM 0 HH12 ARG A 38 11.307 -6.094 -3.802 1.00 42.05 H new ATOM 0 HH21 ARG A 38 9.159 -8.618 -2.582 1.00 24.40 H new ATOM 0 HH22 ARG A 38 10.180 -7.239 -2.159 1.00 24.40 H new ATOM 638 N LYS A 39 6.321 -7.150 -9.416 1.00 15.54 N ATOM 639 CA LYS A 39 6.277 -6.790 -10.835 1.00 61.31 C ATOM 640 C LYS A 39 5.831 -5.337 -11.021 1.00 35.43 C ATOM 641 O LYS A 39 5.859 -4.799 -12.128 1.00 40.32 O ATOM 642 CB LYS A 39 5.341 -7.727 -11.597 1.00 24.33 C ATOM 643 CG LYS A 39 3.903 -7.666 -11.122 1.00 1.24 C ATOM 644 CD LYS A 39 3.037 -8.645 -11.886 1.00 24.45 C ATOM 645 CE LYS A 39 1.582 -8.567 -11.453 1.00 52.41 C ATOM 646 NZ LYS A 39 0.736 -9.555 -12.174 1.00 2.20 N ATOM 0 H LYS A 39 5.512 -7.677 -9.087 1.00 15.54 H new ATOM 0 HA LYS A 39 7.285 -6.894 -11.237 1.00 61.31 H new ATOM 0 HB2 LYS A 39 5.375 -7.478 -12.658 1.00 24.33 H new ATOM 0 HB3 LYS A 39 5.705 -8.750 -11.498 1.00 24.33 H new ATOM 0 HG2 LYS A 39 3.859 -7.891 -10.056 1.00 1.24 H new ATOM 0 HG3 LYS A 39 3.516 -6.655 -11.251 1.00 1.24 H new ATOM 0 HD2 LYS A 39 3.110 -8.439 -12.954 1.00 24.45 H new ATOM 0 HD3 LYS A 39 3.409 -9.658 -11.731 1.00 24.45 H new ATOM 0 HE2 LYS A 39 1.512 -8.744 -10.380 1.00 52.41 H new ATOM 0 HE3 LYS A 39 1.202 -7.562 -11.636 1.00 52.41 H new ATOM 0 HZ1 LYS A 39 -0.249 -9.470 -11.851 1.00 2.20 H new ATOM 0 HZ2 LYS A 39 0.782 -9.371 -13.197 1.00 2.20 H new ATOM 0 HZ3 LYS A 39 1.083 -10.516 -11.980 1.00 2.20 H new ATOM 660 N PHE A 40 5.441 -4.710 -9.919 1.00 62.45 N ATOM 661 CA PHE A 40 4.997 -3.315 -9.912 1.00 33.41 C ATOM 662 C PHE A 40 6.158 -2.342 -10.165 1.00 34.55 C ATOM 663 O PHE A 40 5.983 -1.125 -10.119 1.00 52.22 O ATOM 664 CB PHE A 40 4.342 -2.999 -8.567 1.00 62.13 C ATOM 665 CG PHE A 40 2.975 -2.386 -8.681 1.00 11.14 C ATOM 666 CD1 PHE A 40 1.863 -3.179 -8.923 1.00 13.02 C ATOM 667 CD2 PHE A 40 2.800 -1.018 -8.545 1.00 74.12 C ATOM 668 CE1 PHE A 40 0.604 -2.618 -9.028 1.00 3.04 C ATOM 669 CE2 PHE A 40 1.543 -0.454 -8.648 1.00 63.14 C ATOM 670 CZ PHE A 40 0.444 -1.254 -8.891 1.00 53.44 C ATOM 0 H PHE A 40 5.422 -5.152 -9.000 1.00 62.45 H new ATOM 0 HA PHE A 40 4.278 -3.187 -10.721 1.00 33.41 H new ATOM 0 HB2 PHE A 40 4.269 -3.918 -7.985 1.00 62.13 H new ATOM 0 HB3 PHE A 40 4.988 -2.320 -8.011 1.00 62.13 H new ATOM 0 HD1 PHE A 40 1.982 -4.247 -9.031 1.00 13.02 H new ATOM 0 HD2 PHE A 40 3.655 -0.386 -8.356 1.00 74.12 H new ATOM 0 HE1 PHE A 40 -0.254 -3.246 -9.217 1.00 3.04 H new ATOM 0 HE2 PHE A 40 1.420 0.613 -8.538 1.00 63.14 H new ATOM 0 HZ PHE A 40 -0.539 -0.813 -8.974 1.00 53.44 H new ATOM 680 N LYS A 41 7.341 -2.885 -10.436 1.00 23.43 N ATOM 681 CA LYS A 41 8.547 -2.078 -10.625 1.00 42.21 C ATOM 682 C LYS A 41 8.594 -1.422 -12.007 1.00 40.11 C ATOM 683 O LYS A 41 9.653 -0.977 -12.444 1.00 0.21 O ATOM 684 CB LYS A 41 9.795 -2.947 -10.432 1.00 64.41 C ATOM 685 CG LYS A 41 9.913 -3.537 -9.037 1.00 75.52 C ATOM 686 CD LYS A 41 11.119 -4.460 -8.896 1.00 33.21 C ATOM 687 CE LYS A 41 12.437 -3.694 -8.825 1.00 64.23 C ATOM 688 NZ LYS A 41 12.935 -3.258 -10.160 1.00 12.14 N ATOM 0 H LYS A 41 7.493 -3.889 -10.531 1.00 23.43 H new ATOM 0 HA LYS A 41 8.523 -1.284 -9.879 1.00 42.21 H new ATOM 0 HB2 LYS A 41 9.780 -3.758 -11.161 1.00 64.41 H new ATOM 0 HB3 LYS A 41 10.681 -2.348 -10.641 1.00 64.41 H new ATOM 0 HG2 LYS A 41 9.990 -2.729 -8.309 1.00 75.52 H new ATOM 0 HG3 LYS A 41 9.005 -4.092 -8.802 1.00 75.52 H new ATOM 0 HD2 LYS A 41 11.006 -5.065 -7.997 1.00 33.21 H new ATOM 0 HD3 LYS A 41 11.147 -5.147 -9.742 1.00 33.21 H new ATOM 0 HE2 LYS A 41 12.307 -2.818 -8.189 1.00 64.23 H new ATOM 0 HE3 LYS A 41 13.190 -4.323 -8.351 1.00 64.23 H new ATOM 0 HZ1 LYS A 41 13.945 -3.491 -10.247 1.00 12.14 H new ATOM 0 HZ2 LYS A 41 12.401 -3.748 -10.906 1.00 12.14 H new ATOM 0 HZ3 LYS A 41 12.807 -2.231 -10.260 1.00 12.14 H new ATOM 702 N GLU A 42 7.452 -1.343 -12.681 1.00 3.25 N ATOM 703 CA GLU A 42 7.391 -0.741 -14.007 1.00 2.45 C ATOM 704 C GLU A 42 7.595 0.772 -13.926 1.00 10.34 C ATOM 705 O GLU A 42 8.225 1.369 -14.799 1.00 62.25 O ATOM 706 CB GLU A 42 6.059 -1.063 -14.692 1.00 55.11 C ATOM 707 CG GLU A 42 4.830 -0.633 -13.904 1.00 23.25 C ATOM 708 CD GLU A 42 3.550 -0.768 -14.704 1.00 72.43 C ATOM 709 OE1 GLU A 42 3.272 0.121 -15.536 1.00 10.43 O ATOM 710 OE2 GLU A 42 2.818 -1.757 -14.504 1.00 2.12 O ATOM 0 H GLU A 42 6.558 -1.688 -12.332 1.00 3.25 H new ATOM 0 HA GLU A 42 8.197 -1.166 -14.605 1.00 2.45 H new ATOM 0 HB2 GLU A 42 6.039 -0.578 -15.668 1.00 55.11 H new ATOM 0 HB3 GLU A 42 6.005 -2.137 -14.869 1.00 55.11 H new ATOM 0 HG2 GLU A 42 4.754 -1.235 -12.999 1.00 23.25 H new ATOM 0 HG3 GLU A 42 4.949 0.403 -13.588 1.00 23.25 H new ATOM 717 N TYR A 43 7.071 1.384 -12.870 1.00 5.44 N ATOM 718 CA TYR A 43 7.234 2.819 -12.659 1.00 2.14 C ATOM 719 C TYR A 43 8.562 3.119 -11.980 1.00 23.32 C ATOM 720 O TYR A 43 9.054 4.249 -12.033 1.00 44.24 O ATOM 721 CB TYR A 43 6.081 3.381 -11.823 1.00 0.00 C ATOM 722 CG TYR A 43 4.814 3.611 -12.615 1.00 31.44 C ATOM 723 CD1 TYR A 43 3.921 2.577 -12.860 1.00 64.34 C ATOM 724 CD2 TYR A 43 4.513 4.870 -13.120 1.00 74.42 C ATOM 725 CE1 TYR A 43 2.766 2.789 -13.588 1.00 1.53 C ATOM 726 CE2 TYR A 43 3.360 5.091 -13.848 1.00 73.01 C ATOM 727 CZ TYR A 43 2.491 4.048 -14.079 1.00 73.03 C ATOM 728 OH TYR A 43 1.342 4.266 -14.806 1.00 54.32 O ATOM 0 H TYR A 43 6.530 0.910 -12.147 1.00 5.44 H new ATOM 0 HA TYR A 43 7.225 3.302 -13.636 1.00 2.14 H new ATOM 0 HB2 TYR A 43 5.868 2.693 -11.005 1.00 0.00 H new ATOM 0 HB3 TYR A 43 6.395 4.323 -11.374 1.00 0.00 H new ATOM 0 HD1 TYR A 43 4.133 1.590 -12.475 1.00 64.34 H new ATOM 0 HD2 TYR A 43 5.192 5.690 -12.940 1.00 74.42 H new ATOM 0 HE1 TYR A 43 2.082 1.973 -13.772 1.00 1.53 H new ATOM 0 HE2 TYR A 43 3.141 6.076 -14.234 1.00 73.01 H new ATOM 0 HH TYR A 43 0.698 3.551 -14.621 1.00 54.32 H new ATOM 738 N CYS A 44 9.135 2.094 -11.351 1.00 62.50 N ATOM 739 CA CYS A 44 10.419 2.218 -10.665 1.00 15.05 C ATOM 740 C CYS A 44 10.335 3.239 -9.526 1.00 63.30 C ATOM 741 O CYS A 44 9.237 3.592 -9.087 1.00 3.10 O ATOM 742 CB CYS A 44 11.505 2.619 -11.666 1.00 1.05 C ATOM 743 SG CYS A 44 11.637 1.511 -13.089 1.00 63.22 S ATOM 0 H CYS A 44 8.726 1.161 -11.303 1.00 62.50 H new ATOM 0 HA CYS A 44 10.676 1.252 -10.230 1.00 15.05 H new ATOM 0 HB2 CYS A 44 11.302 3.629 -12.022 1.00 1.05 H new ATOM 0 HB3 CYS A 44 12.466 2.650 -11.152 1.00 1.05 H new ATOM 0 HG CYS A 44 10.868 0.479 -12.908 1.00 63.22 H new ATOM 749 N GLU A 45 11.502 3.675 -9.041 1.00 3.35 N ATOM 750 CA GLU A 45 11.603 4.700 -7.997 1.00 40.04 C ATOM 751 C GLU A 45 11.170 4.158 -6.628 1.00 12.45 C ATOM 752 O GLU A 45 10.463 3.151 -6.530 1.00 14.24 O ATOM 753 CB GLU A 45 10.785 5.946 -8.381 1.00 15.40 C ATOM 754 CG GLU A 45 10.982 7.133 -7.450 1.00 21.13 C ATOM 755 CD GLU A 45 12.442 7.497 -7.279 1.00 14.25 C ATOM 756 OE1 GLU A 45 12.975 8.248 -8.113 1.00 44.24 O ATOM 757 OE2 GLU A 45 13.067 7.019 -6.308 1.00 73.40 O ATOM 0 H GLU A 45 12.405 3.326 -9.362 1.00 3.35 H new ATOM 0 HA GLU A 45 12.651 4.988 -7.915 1.00 40.04 H new ATOM 0 HB2 GLU A 45 11.053 6.245 -9.394 1.00 15.40 H new ATOM 0 HB3 GLU A 45 9.728 5.682 -8.396 1.00 15.40 H new ATOM 0 HG2 GLU A 45 10.440 7.993 -7.843 1.00 21.13 H new ATOM 0 HG3 GLU A 45 10.551 6.902 -6.476 1.00 21.13 H new ATOM 764 N GLY A 46 11.619 4.827 -5.574 1.00 33.45 N ATOM 765 CA GLY A 46 11.297 4.408 -4.228 1.00 74.04 C ATOM 766 C GLY A 46 10.024 5.037 -3.707 1.00 1.22 C ATOM 767 O GLY A 46 9.178 4.340 -3.147 1.00 31.33 O ATOM 0 H GLY A 46 12.206 5.660 -5.631 1.00 33.45 H new ATOM 0 HA2 GLY A 46 11.197 3.323 -4.204 1.00 74.04 H new ATOM 0 HA3 GLY A 46 12.122 4.666 -3.565 1.00 74.04 H new ATOM 771 N LEU A 47 9.902 6.352 -3.903 1.00 51.11 N ATOM 772 CA LEU A 47 8.749 7.130 -3.434 1.00 2.42 C ATOM 773 C LEU A 47 8.794 7.286 -1.913 1.00 31.31 C ATOM 774 O LEU A 47 8.582 6.329 -1.164 1.00 1.24 O ATOM 775 CB LEU A 47 7.428 6.487 -3.900 1.00 65.23 C ATOM 776 CG LEU A 47 6.163 7.339 -3.739 1.00 42.53 C ATOM 777 CD1 LEU A 47 5.094 6.865 -4.708 1.00 31.34 C ATOM 778 CD2 LEU A 47 5.629 7.269 -2.318 1.00 23.02 C ATOM 0 H LEU A 47 10.601 6.910 -4.393 1.00 51.11 H new ATOM 0 HA LEU A 47 8.799 8.126 -3.873 1.00 2.42 H new ATOM 0 HB2 LEU A 47 7.530 6.221 -4.952 1.00 65.23 H new ATOM 0 HB3 LEU A 47 7.287 5.558 -3.348 1.00 65.23 H new ATOM 0 HG LEU A 47 6.424 8.375 -3.957 1.00 42.53 H new ATOM 0 HD11 LEU A 47 4.198 7.474 -4.588 1.00 31.34 H new ATOM 0 HD12 LEU A 47 5.462 6.958 -5.730 1.00 31.34 H new ATOM 0 HD13 LEU A 47 4.853 5.822 -4.502 1.00 31.34 H new ATOM 0 HD21 LEU A 47 4.732 7.883 -2.236 1.00 23.02 H new ATOM 0 HD22 LEU A 47 5.385 6.236 -2.071 1.00 23.02 H new ATOM 0 HD23 LEU A 47 6.386 7.638 -1.626 1.00 23.02 H new ATOM 790 N GLN A 48 9.085 8.503 -1.466 1.00 24.34 N ATOM 791 CA GLN A 48 9.233 8.791 -0.045 1.00 42.43 C ATOM 792 C GLN A 48 7.951 9.377 0.545 1.00 34.03 C ATOM 793 O GLN A 48 6.903 9.395 -0.103 1.00 53.43 O ATOM 794 CB GLN A 48 10.389 9.768 0.174 1.00 10.32 C ATOM 795 CG GLN A 48 11.729 9.110 0.462 1.00 2.22 C ATOM 796 CD GLN A 48 11.978 7.876 -0.378 1.00 33.23 C ATOM 797 OE1 GLN A 48 11.710 6.753 0.051 1.00 34.45 O ATOM 798 NE2 GLN A 48 12.477 8.075 -1.579 1.00 32.21 N ATOM 0 H GLN A 48 9.224 9.311 -2.073 1.00 24.34 H new ATOM 0 HA GLN A 48 9.444 7.850 0.463 1.00 42.43 H new ATOM 0 HB2 GLN A 48 10.490 10.395 -0.712 1.00 10.32 H new ATOM 0 HB3 GLN A 48 10.137 10.428 1.004 1.00 10.32 H new ATOM 0 HG2 GLN A 48 12.527 9.831 0.283 1.00 2.22 H new ATOM 0 HG3 GLN A 48 11.775 8.839 1.517 1.00 2.22 H new ATOM 0 HE21 GLN A 48 12.684 9.023 -1.894 1.00 32.21 H new ATOM 0 HE22 GLN A 48 12.656 7.282 -2.195 1.00 32.21 H new ATOM 807 N PHE A 49 8.064 9.881 1.773 1.00 24.33 N ATOM 808 CA PHE A 49 6.929 10.433 2.516 1.00 45.44 C ATOM 809 C PHE A 49 6.250 11.562 1.745 1.00 40.33 C ATOM 810 O PHE A 49 5.026 11.675 1.743 1.00 31.20 O ATOM 811 CB PHE A 49 7.405 10.971 3.869 1.00 14.24 C ATOM 812 CG PHE A 49 8.206 9.984 4.672 1.00 30.51 C ATOM 813 CD1 PHE A 49 7.577 9.032 5.456 1.00 34.34 C ATOM 814 CD2 PHE A 49 9.592 10.014 4.643 1.00 11.11 C ATOM 815 CE1 PHE A 49 8.316 8.126 6.194 1.00 33.12 C ATOM 816 CE2 PHE A 49 10.335 9.112 5.379 1.00 30.02 C ATOM 817 CZ PHE A 49 9.696 8.167 6.156 1.00 51.14 C ATOM 0 H PHE A 49 8.947 9.919 2.283 1.00 24.33 H new ATOM 0 HA PHE A 49 6.207 9.629 2.661 1.00 45.44 H new ATOM 0 HB2 PHE A 49 8.009 11.863 3.702 1.00 14.24 H new ATOM 0 HB3 PHE A 49 6.537 11.279 4.452 1.00 14.24 H new ATOM 0 HD1 PHE A 49 6.498 8.997 5.491 1.00 34.34 H new ATOM 0 HD2 PHE A 49 10.097 10.752 4.037 1.00 11.11 H new ATOM 0 HE1 PHE A 49 7.814 7.386 6.800 1.00 33.12 H new ATOM 0 HE2 PHE A 49 11.414 9.146 5.347 1.00 30.02 H new ATOM 0 HZ PHE A 49 10.274 7.461 6.733 1.00 51.14 H new ATOM 827 N HIS A 50 7.051 12.386 1.081 1.00 63.13 N ATOM 828 CA HIS A 50 6.544 13.596 0.442 1.00 1.22 C ATOM 829 C HIS A 50 5.885 13.297 -0.905 1.00 33.41 C ATOM 830 O HIS A 50 5.087 14.093 -1.401 1.00 15.53 O ATOM 831 CB HIS A 50 7.676 14.614 0.263 1.00 12.43 C ATOM 832 CG HIS A 50 7.198 15.973 -0.142 1.00 22.42 C ATOM 833 ND1 HIS A 50 7.598 16.596 -1.303 1.00 14.05 N ATOM 834 CD2 HIS A 50 6.351 16.832 0.473 1.00 40.14 C ATOM 835 CE1 HIS A 50 7.018 17.778 -1.386 1.00 62.54 C ATOM 836 NE2 HIS A 50 6.255 17.945 -0.322 1.00 33.02 N ATOM 0 H HIS A 50 8.054 12.239 0.970 1.00 63.13 H new ATOM 0 HA HIS A 50 5.780 14.017 1.095 1.00 1.22 H new ATOM 0 HB2 HIS A 50 8.231 14.696 1.197 1.00 12.43 H new ATOM 0 HB3 HIS A 50 8.372 14.243 -0.489 1.00 12.43 H new ATOM 0 HD2 HIS A 50 5.846 16.671 1.414 1.00 40.14 H new ATOM 0 HE1 HIS A 50 7.146 18.489 -2.189 1.00 62.54 H new ATOM 0 HE2 HIS A 50 5.686 18.768 -0.123 1.00 33.02 H new ATOM 845 N GLU A 51 6.215 12.158 -1.499 1.00 22.11 N ATOM 846 CA GLU A 51 5.636 11.786 -2.786 1.00 73.25 C ATOM 847 C GLU A 51 4.311 11.066 -2.585 1.00 3.23 C ATOM 848 O GLU A 51 3.510 10.935 -3.513 1.00 30.34 O ATOM 849 CB GLU A 51 6.593 10.905 -3.599 1.00 62.10 C ATOM 850 CG GLU A 51 7.849 11.619 -4.078 1.00 12.54 C ATOM 851 CD GLU A 51 8.857 11.856 -2.974 1.00 65.34 C ATOM 852 OE1 GLU A 51 9.604 10.916 -2.646 1.00 72.20 O ATOM 853 OE2 GLU A 51 8.901 12.978 -2.430 1.00 33.30 O ATOM 0 H GLU A 51 6.874 11.480 -1.116 1.00 22.11 H new ATOM 0 HA GLU A 51 5.463 12.704 -3.347 1.00 73.25 H new ATOM 0 HB2 GLU A 51 6.886 10.049 -2.990 1.00 62.10 H new ATOM 0 HB3 GLU A 51 6.060 10.513 -4.465 1.00 62.10 H new ATOM 0 HG2 GLU A 51 8.316 11.030 -4.867 1.00 12.54 H new ATOM 0 HG3 GLU A 51 7.570 12.576 -4.518 1.00 12.54 H new ATOM 860 N LEU A 52 4.086 10.611 -1.366 1.00 3.50 N ATOM 861 CA LEU A 52 2.852 9.933 -1.017 1.00 4.31 C ATOM 862 C LEU A 52 1.789 10.970 -0.646 1.00 5.41 C ATOM 863 O LEU A 52 1.759 11.476 0.477 1.00 12.12 O ATOM 864 CB LEU A 52 3.118 8.959 0.142 1.00 25.10 C ATOM 865 CG LEU A 52 2.137 7.786 0.287 1.00 3.31 C ATOM 866 CD1 LEU A 52 0.773 8.264 0.748 1.00 52.23 C ATOM 867 CD2 LEU A 52 2.018 7.019 -1.022 1.00 0.21 C ATOM 0 H LEU A 52 4.748 10.700 -0.595 1.00 3.50 H new ATOM 0 HA LEU A 52 2.482 9.359 -1.866 1.00 4.31 H new ATOM 0 HB2 LEU A 52 4.122 8.552 0.023 1.00 25.10 H new ATOM 0 HB3 LEU A 52 3.113 9.526 1.073 1.00 25.10 H new ATOM 0 HG LEU A 52 2.533 7.114 1.048 1.00 3.31 H new ATOM 0 HD11 LEU A 52 0.101 7.411 0.841 1.00 52.23 H new ATOM 0 HD12 LEU A 52 0.868 8.758 1.715 1.00 52.23 H new ATOM 0 HD13 LEU A 52 0.368 8.967 0.020 1.00 52.23 H new ATOM 0 HD21 LEU A 52 1.318 6.193 -0.897 1.00 0.21 H new ATOM 0 HD22 LEU A 52 1.655 7.687 -1.803 1.00 0.21 H new ATOM 0 HD23 LEU A 52 2.995 6.628 -1.304 1.00 0.21 H new ATOM 879 N THR A 53 0.937 11.308 -1.604 1.00 44.51 N ATOM 880 CA THR A 53 -0.079 12.330 -1.394 1.00 1.25 C ATOM 881 C THR A 53 -1.483 11.766 -1.586 1.00 71.40 C ATOM 882 O THR A 53 -1.654 10.666 -2.114 1.00 52.21 O ATOM 883 CB THR A 53 0.122 13.513 -2.361 1.00 51.32 C ATOM 884 OG1 THR A 53 0.180 13.029 -3.712 1.00 2.04 O ATOM 885 CG2 THR A 53 1.395 14.283 -2.029 1.00 15.41 C ATOM 0 H THR A 53 0.929 10.889 -2.534 1.00 44.51 H new ATOM 0 HA THR A 53 0.027 12.678 -0.366 1.00 1.25 H new ATOM 0 HB THR A 53 -0.723 14.193 -2.253 1.00 51.32 H new ATOM 0 HG1 THR A 53 0.306 13.783 -4.325 1.00 2.04 H new ATOM 0 HG21 THR A 53 1.511 15.112 -2.727 1.00 15.41 H new ATOM 0 HG22 THR A 53 1.331 14.671 -1.012 1.00 15.41 H new ATOM 0 HG23 THR A 53 2.254 13.617 -2.110 1.00 15.41 H new ATOM 893 N GLU A 54 -2.483 12.528 -1.158 1.00 31.10 N ATOM 894 CA GLU A 54 -3.875 12.153 -1.331 1.00 5.23 C ATOM 895 C GLU A 54 -4.209 12.068 -2.814 1.00 52.22 C ATOM 896 O GLU A 54 -4.943 11.180 -3.248 1.00 45.52 O ATOM 897 CB GLU A 54 -4.802 13.172 -0.659 1.00 2.32 C ATOM 898 CG GLU A 54 -4.364 13.597 0.735 1.00 1.41 C ATOM 899 CD GLU A 54 -3.472 14.825 0.722 1.00 63.14 C ATOM 900 OE1 GLU A 54 -2.318 14.730 0.252 1.00 51.13 O ATOM 901 OE2 GLU A 54 -3.922 15.894 1.177 1.00 54.44 O ATOM 0 H GLU A 54 -2.349 13.420 -0.683 1.00 31.10 H new ATOM 0 HA GLU A 54 -4.026 11.180 -0.864 1.00 5.23 H new ATOM 0 HB2 GLU A 54 -4.868 14.057 -1.291 1.00 2.32 H new ATOM 0 HB3 GLU A 54 -5.804 12.748 -0.598 1.00 2.32 H new ATOM 0 HG2 GLU A 54 -5.246 13.801 1.342 1.00 1.41 H new ATOM 0 HG3 GLU A 54 -3.833 12.773 1.211 1.00 1.41 H new ATOM 908 N ASP A 55 -3.655 12.995 -3.589 1.00 22.43 N ATOM 909 CA ASP A 55 -3.874 13.015 -5.028 1.00 14.12 C ATOM 910 C ASP A 55 -3.212 11.812 -5.682 1.00 75.25 C ATOM 911 O ASP A 55 -3.718 11.282 -6.664 1.00 22.12 O ATOM 912 CB ASP A 55 -3.348 14.310 -5.649 1.00 74.45 C ATOM 913 CG ASP A 55 -3.661 14.408 -7.131 1.00 60.52 C ATOM 914 OD1 ASP A 55 -4.846 14.615 -7.482 1.00 3.01 O ATOM 915 OD2 ASP A 55 -2.726 14.283 -7.953 1.00 43.43 O ATOM 0 H ASP A 55 -3.052 13.741 -3.243 1.00 22.43 H new ATOM 0 HA ASP A 55 -4.949 12.966 -5.204 1.00 14.12 H new ATOM 0 HB2 ASP A 55 -3.786 15.163 -5.130 1.00 74.45 H new ATOM 0 HB3 ASP A 55 -2.269 14.368 -5.503 1.00 74.45 H new ATOM 920 N PHE A 56 -2.084 11.374 -5.127 1.00 11.21 N ATOM 921 CA PHE A 56 -1.423 10.170 -5.618 1.00 61.44 C ATOM 922 C PHE A 56 -2.336 8.965 -5.436 1.00 41.43 C ATOM 923 O PHE A 56 -2.568 8.202 -6.373 1.00 43.54 O ATOM 924 CB PHE A 56 -0.096 9.929 -4.893 1.00 62.43 C ATOM 925 CG PHE A 56 0.623 8.691 -5.357 1.00 34.13 C ATOM 926 CD1 PHE A 56 1.496 8.745 -6.431 1.00 53.11 C ATOM 927 CD2 PHE A 56 0.421 7.470 -4.723 1.00 52.15 C ATOM 928 CE1 PHE A 56 2.153 7.610 -6.865 1.00 43.01 C ATOM 929 CE2 PHE A 56 1.075 6.332 -5.155 1.00 33.35 C ATOM 930 CZ PHE A 56 1.942 6.403 -6.228 1.00 64.40 C ATOM 0 H PHE A 56 -1.614 11.830 -4.345 1.00 11.21 H new ATOM 0 HA PHE A 56 -1.211 10.311 -6.678 1.00 61.44 H new ATOM 0 HB2 PHE A 56 0.552 10.793 -5.040 1.00 62.43 H new ATOM 0 HB3 PHE A 56 -0.285 9.851 -3.822 1.00 62.43 H new ATOM 0 HD1 PHE A 56 1.665 9.685 -6.935 1.00 53.11 H new ATOM 0 HD2 PHE A 56 -0.255 7.410 -3.883 1.00 52.15 H new ATOM 0 HE1 PHE A 56 2.832 7.667 -7.703 1.00 43.01 H new ATOM 0 HE2 PHE A 56 0.909 5.389 -4.655 1.00 33.35 H new ATOM 0 HZ PHE A 56 2.454 5.515 -6.568 1.00 64.40 H new ATOM 940 N LEU A 57 -2.850 8.803 -4.223 1.00 63.11 N ATOM 941 CA LEU A 57 -3.788 7.734 -3.922 1.00 64.41 C ATOM 942 C LEU A 57 -5.019 7.834 -4.816 1.00 42.23 C ATOM 943 O LEU A 57 -5.540 6.826 -5.286 1.00 21.45 O ATOM 944 CB LEU A 57 -4.192 7.795 -2.448 1.00 72.11 C ATOM 945 CG LEU A 57 -3.238 7.100 -1.469 1.00 43.42 C ATOM 946 CD1 LEU A 57 -3.207 5.604 -1.725 1.00 10.42 C ATOM 947 CD2 LEU A 57 -1.835 7.674 -1.560 1.00 13.32 C ATOM 0 H LEU A 57 -2.630 9.404 -3.429 1.00 63.11 H new ATOM 0 HA LEU A 57 -3.303 6.777 -4.116 1.00 64.41 H new ATOM 0 HB2 LEU A 57 -4.282 8.842 -2.158 1.00 72.11 H new ATOM 0 HB3 LEU A 57 -5.181 7.349 -2.342 1.00 72.11 H new ATOM 0 HG LEU A 57 -3.613 7.279 -0.461 1.00 43.42 H new ATOM 0 HD11 LEU A 57 -2.525 5.128 -1.021 1.00 10.42 H new ATOM 0 HD12 LEU A 57 -4.208 5.192 -1.595 1.00 10.42 H new ATOM 0 HD13 LEU A 57 -2.866 5.416 -2.743 1.00 10.42 H new ATOM 0 HD21 LEU A 57 -1.185 7.159 -0.853 1.00 13.32 H new ATOM 0 HD22 LEU A 57 -1.451 7.538 -2.571 1.00 13.32 H new ATOM 0 HD23 LEU A 57 -1.861 8.737 -1.321 1.00 13.32 H new ATOM 959 N ARG A 58 -5.465 9.061 -5.049 1.00 34.31 N ATOM 960 CA ARG A 58 -6.584 9.326 -5.943 1.00 50.22 C ATOM 961 C ARG A 58 -6.266 8.881 -7.371 1.00 33.44 C ATOM 962 O ARG A 58 -7.018 8.116 -7.977 1.00 53.23 O ATOM 963 CB ARG A 58 -6.913 10.820 -5.932 1.00 21.34 C ATOM 964 CG ARG A 58 -7.872 11.238 -7.030 1.00 41.35 C ATOM 965 CD ARG A 58 -7.886 12.744 -7.205 1.00 31.23 C ATOM 966 NE ARG A 58 -8.560 13.131 -8.439 1.00 31.14 N ATOM 967 CZ ARG A 58 -7.930 13.632 -9.502 1.00 31.35 C ATOM 968 NH1 ARG A 58 -6.628 13.885 -9.458 1.00 50.01 N ATOM 969 NH2 ARG A 58 -8.610 13.894 -10.607 1.00 11.25 N ATOM 0 H ARG A 58 -5.063 9.898 -4.626 1.00 34.31 H new ATOM 0 HA ARG A 58 -7.444 8.757 -5.590 1.00 50.22 H new ATOM 0 HB2 ARG A 58 -7.344 11.082 -4.966 1.00 21.34 H new ATOM 0 HB3 ARG A 58 -5.988 11.388 -6.033 1.00 21.34 H new ATOM 0 HG2 ARG A 58 -7.584 10.763 -7.968 1.00 41.35 H new ATOM 0 HG3 ARG A 58 -8.876 10.888 -6.791 1.00 41.35 H new ATOM 0 HD2 ARG A 58 -8.388 13.206 -6.355 1.00 31.23 H new ATOM 0 HD3 ARG A 58 -6.863 13.120 -7.214 1.00 31.23 H new ATOM 0 HE ARG A 58 -9.572 13.012 -8.492 1.00 31.14 H new ATOM 0 HH11 ARG A 58 -6.100 13.696 -8.606 1.00 50.01 H new ATOM 0 HH12 ARG A 58 -6.155 14.268 -10.276 1.00 50.01 H new ATOM 0 HH21 ARG A 58 -9.613 13.713 -10.644 1.00 11.25 H new ATOM 0 HH22 ARG A 58 -8.131 14.277 -11.422 1.00 11.25 H new ATOM 983 N ASP A 59 -5.148 9.366 -7.899 1.00 10.43 N ATOM 984 CA ASP A 59 -4.762 9.094 -9.280 1.00 1.24 C ATOM 985 C ASP A 59 -4.514 7.609 -9.500 1.00 42.52 C ATOM 986 O ASP A 59 -4.954 7.039 -10.499 1.00 2.22 O ATOM 987 CB ASP A 59 -3.508 9.888 -9.656 1.00 30.13 C ATOM 988 CG ASP A 59 -3.113 9.691 -11.107 1.00 41.24 C ATOM 989 OD1 ASP A 59 -3.819 10.220 -11.992 1.00 41.31 O ATOM 990 OD2 ASP A 59 -2.103 9.008 -11.375 1.00 41.44 O ATOM 0 H ASP A 59 -4.489 9.953 -7.388 1.00 10.43 H new ATOM 0 HA ASP A 59 -5.588 9.406 -9.920 1.00 1.24 H new ATOM 0 HB2 ASP A 59 -3.683 10.948 -9.470 1.00 30.13 H new ATOM 0 HB3 ASP A 59 -2.682 9.584 -9.013 1.00 30.13 H new ATOM 995 N TYR A 60 -3.827 6.981 -8.554 1.00 12.12 N ATOM 996 CA TYR A 60 -3.488 5.572 -8.676 1.00 33.20 C ATOM 997 C TYR A 60 -4.719 4.700 -8.474 1.00 34.10 C ATOM 998 O TYR A 60 -4.809 3.604 -9.027 1.00 13.42 O ATOM 999 CB TYR A 60 -2.387 5.190 -7.690 1.00 23.24 C ATOM 1000 CG TYR A 60 -1.255 4.436 -8.345 1.00 65.11 C ATOM 1001 CD1 TYR A 60 -1.278 3.051 -8.438 1.00 13.25 C ATOM 1002 CD2 TYR A 60 -0.168 5.113 -8.883 1.00 1.23 C ATOM 1003 CE1 TYR A 60 -0.248 2.363 -9.048 1.00 74.23 C ATOM 1004 CE2 TYR A 60 0.866 4.431 -9.493 1.00 33.33 C ATOM 1005 CZ TYR A 60 0.821 3.057 -9.574 1.00 23.35 C ATOM 1006 OH TYR A 60 1.848 2.373 -10.182 1.00 21.32 O ATOM 0 H TYR A 60 -3.495 7.425 -7.697 1.00 12.12 H new ATOM 0 HA TYR A 60 -3.113 5.402 -9.685 1.00 33.20 H new ATOM 0 HB2 TYR A 60 -1.994 6.093 -7.222 1.00 23.24 H new ATOM 0 HB3 TYR A 60 -2.813 4.579 -6.895 1.00 23.24 H new ATOM 0 HD1 TYR A 60 -2.114 2.504 -8.027 1.00 13.25 H new ATOM 0 HD2 TYR A 60 -0.131 6.191 -8.823 1.00 1.23 H new ATOM 0 HE1 TYR A 60 -0.280 1.285 -9.113 1.00 74.23 H new ATOM 0 HE2 TYR A 60 1.705 4.972 -9.904 1.00 33.33 H new ATOM 0 HH TYR A 60 1.711 1.409 -10.070 1.00 21.32 H new ATOM 1016 N LEU A 61 -5.667 5.191 -7.685 1.00 30.01 N ATOM 1017 CA LEU A 61 -6.963 4.538 -7.557 1.00 14.34 C ATOM 1018 C LEU A 61 -7.617 4.453 -8.925 1.00 54.11 C ATOM 1019 O LEU A 61 -8.026 3.378 -9.371 1.00 60.35 O ATOM 1020 CB LEU A 61 -7.867 5.316 -6.596 1.00 42.31 C ATOM 1021 CG LEU A 61 -9.307 4.804 -6.481 1.00 41.22 C ATOM 1022 CD1 LEU A 61 -9.336 3.400 -5.894 1.00 5.25 C ATOM 1023 CD2 LEU A 61 -10.143 5.755 -5.636 1.00 41.32 C ATOM 0 H LEU A 61 -5.563 6.037 -7.125 1.00 30.01 H new ATOM 0 HA LEU A 61 -6.817 3.536 -7.155 1.00 14.34 H new ATOM 0 HB2 LEU A 61 -7.414 5.298 -5.605 1.00 42.31 H new ATOM 0 HB3 LEU A 61 -7.895 6.358 -6.915 1.00 42.31 H new ATOM 0 HG LEU A 61 -9.736 4.762 -7.482 1.00 41.22 H new ATOM 0 HD11 LEU A 61 -10.368 3.057 -5.822 1.00 5.25 H new ATOM 0 HD12 LEU A 61 -8.774 2.724 -6.539 1.00 5.25 H new ATOM 0 HD13 LEU A 61 -8.887 3.412 -4.901 1.00 5.25 H new ATOM 0 HD21 LEU A 61 -11.163 5.377 -5.564 1.00 41.32 H new ATOM 0 HD22 LEU A 61 -9.712 5.829 -4.637 1.00 41.32 H new ATOM 0 HD23 LEU A 61 -10.153 6.741 -6.101 1.00 41.32 H new ATOM 1035 N ILE A 62 -7.688 5.600 -9.590 1.00 41.33 N ATOM 1036 CA ILE A 62 -8.229 5.677 -10.938 1.00 54.21 C ATOM 1037 C ILE A 62 -7.424 4.796 -11.889 1.00 50.13 C ATOM 1038 O ILE A 62 -7.988 3.995 -12.619 1.00 24.51 O ATOM 1039 CB ILE A 62 -8.239 7.130 -11.463 1.00 55.13 C ATOM 1040 CG1 ILE A 62 -9.058 8.024 -10.527 1.00 12.23 C ATOM 1041 CG2 ILE A 62 -8.800 7.182 -12.881 1.00 32.22 C ATOM 1042 CD1 ILE A 62 -9.045 9.488 -10.912 1.00 23.21 C ATOM 0 H ILE A 62 -7.375 6.494 -9.213 1.00 41.33 H new ATOM 0 HA ILE A 62 -9.258 5.320 -10.896 1.00 54.21 H new ATOM 0 HB ILE A 62 -7.214 7.499 -11.488 1.00 55.13 H new ATOM 0 HG12 ILE A 62 -10.089 7.671 -10.513 1.00 12.23 H new ATOM 0 HG13 ILE A 62 -8.672 7.921 -9.513 1.00 12.23 H new ATOM 0 HG21 ILE A 62 -8.800 8.213 -13.235 1.00 32.22 H new ATOM 0 HG22 ILE A 62 -8.182 6.572 -13.540 1.00 32.22 H new ATOM 0 HG23 ILE A 62 -9.820 6.798 -12.883 1.00 32.22 H new ATOM 0 HD11 ILE A 62 -9.647 10.056 -10.202 1.00 23.21 H new ATOM 0 HD12 ILE A 62 -8.020 9.859 -10.898 1.00 23.21 H new ATOM 0 HD13 ILE A 62 -9.459 9.605 -11.914 1.00 23.21 H new ATOM 1054 N TYR A 63 -6.103 4.928 -11.851 1.00 4.41 N ATOM 1055 CA TYR A 63 -5.217 4.149 -12.719 1.00 60.13 C ATOM 1056 C TYR A 63 -5.451 2.644 -12.561 1.00 15.10 C ATOM 1057 O TYR A 63 -5.543 1.908 -13.546 1.00 5.30 O ATOM 1058 CB TYR A 63 -3.752 4.486 -12.410 1.00 44.05 C ATOM 1059 CG TYR A 63 -2.753 3.604 -13.128 1.00 60.21 C ATOM 1060 CD1 TYR A 63 -2.451 3.810 -14.468 1.00 41.35 C ATOM 1061 CD2 TYR A 63 -2.118 2.560 -12.465 1.00 42.11 C ATOM 1062 CE1 TYR A 63 -1.547 3.002 -15.127 1.00 54.30 C ATOM 1063 CE2 TYR A 63 -1.211 1.749 -13.117 1.00 23.34 C ATOM 1064 CZ TYR A 63 -0.930 1.973 -14.448 1.00 31.15 C ATOM 1065 OH TYR A 63 -0.030 1.163 -15.103 1.00 52.42 O ATOM 0 H TYR A 63 -5.616 5.570 -11.226 1.00 4.41 H new ATOM 0 HA TYR A 63 -5.444 4.415 -13.751 1.00 60.13 H new ATOM 0 HB2 TYR A 63 -3.564 5.525 -12.680 1.00 44.05 H new ATOM 0 HB3 TYR A 63 -3.589 4.402 -11.336 1.00 44.05 H new ATOM 0 HD1 TYR A 63 -2.932 4.616 -15.003 1.00 41.35 H new ATOM 0 HD2 TYR A 63 -2.338 2.381 -11.423 1.00 42.11 H new ATOM 0 HE1 TYR A 63 -1.324 3.175 -16.169 1.00 54.30 H new ATOM 0 HE2 TYR A 63 -0.724 0.943 -12.587 1.00 23.34 H new ATOM 0 HH TYR A 63 0.315 0.488 -14.482 1.00 52.42 H new ATOM 1075 N MET A 64 -5.554 2.198 -11.324 1.00 63.45 N ATOM 1076 CA MET A 64 -5.713 0.782 -11.024 1.00 70.12 C ATOM 1077 C MET A 64 -7.086 0.272 -11.449 1.00 10.33 C ATOM 1078 O MET A 64 -7.219 -0.830 -11.980 1.00 13.52 O ATOM 1079 CB MET A 64 -5.499 0.561 -9.530 1.00 14.43 C ATOM 1080 CG MET A 64 -5.628 -0.881 -9.083 1.00 1.02 C ATOM 1081 SD MET A 64 -4.759 -1.187 -7.533 1.00 2.53 S ATOM 1082 CE MET A 64 -5.294 0.219 -6.558 1.00 73.44 C ATOM 0 H MET A 64 -5.530 2.800 -10.501 1.00 63.45 H new ATOM 0 HA MET A 64 -4.970 0.219 -11.589 1.00 70.12 H new ATOM 0 HB2 MET A 64 -4.507 0.924 -9.260 1.00 14.43 H new ATOM 0 HB3 MET A 64 -6.220 1.165 -8.979 1.00 14.43 H new ATOM 0 HG2 MET A 64 -6.682 -1.131 -8.963 1.00 1.02 H new ATOM 0 HG3 MET A 64 -5.231 -1.538 -9.857 1.00 1.02 H new ATOM 0 HE1 MET A 64 -5.247 -0.034 -5.499 1.00 73.44 H new ATOM 0 HE2 MET A 64 -4.642 1.069 -6.757 1.00 73.44 H new ATOM 0 HE3 MET A 64 -6.319 0.478 -6.824 1.00 73.44 H new ATOM 1092 N LYS A 65 -8.097 1.079 -11.208 1.00 42.54 N ATOM 1093 CA LYS A 65 -9.465 0.732 -11.570 1.00 3.41 C ATOM 1094 C LYS A 65 -9.687 0.841 -13.083 1.00 45.43 C ATOM 1095 O LYS A 65 -10.343 -0.003 -13.689 1.00 24.04 O ATOM 1096 CB LYS A 65 -10.435 1.652 -10.829 1.00 30.31 C ATOM 1097 CG LYS A 65 -11.899 1.344 -11.078 1.00 34.22 C ATOM 1098 CD LYS A 65 -12.789 2.357 -10.385 1.00 64.32 C ATOM 1099 CE LYS A 65 -14.259 2.027 -10.567 1.00 5.43 C ATOM 1100 NZ LYS A 65 -15.136 3.088 -10.008 1.00 43.15 N ATOM 0 H LYS A 65 -8.001 1.990 -10.759 1.00 42.54 H new ATOM 0 HA LYS A 65 -9.646 -0.303 -11.282 1.00 3.41 H new ATOM 0 HB2 LYS A 65 -10.238 1.583 -9.759 1.00 30.31 H new ATOM 0 HB3 LYS A 65 -10.237 2.683 -11.124 1.00 30.31 H new ATOM 0 HG2 LYS A 65 -12.099 1.350 -12.149 1.00 34.22 H new ATOM 0 HG3 LYS A 65 -12.131 0.342 -10.716 1.00 34.22 H new ATOM 0 HD2 LYS A 65 -12.551 2.384 -9.322 1.00 64.32 H new ATOM 0 HD3 LYS A 65 -12.587 3.352 -10.782 1.00 64.32 H new ATOM 0 HE2 LYS A 65 -14.474 1.899 -11.628 1.00 5.43 H new ATOM 0 HE3 LYS A 65 -14.481 1.078 -10.080 1.00 5.43 H new ATOM 0 HZ1 LYS A 65 -16.132 2.826 -10.152 1.00 43.15 H new ATOM 0 HZ2 LYS A 65 -14.949 3.193 -8.990 1.00 43.15 H new ATOM 0 HZ3 LYS A 65 -14.942 3.989 -10.490 1.00 43.15 H new ATOM 1114 N LYS A 66 -9.125 1.880 -13.677 1.00 24.10 N ATOM 1115 CA LYS A 66 -9.335 2.192 -15.089 1.00 32.43 C ATOM 1116 C LYS A 66 -8.372 1.427 -15.999 1.00 4.44 C ATOM 1117 O LYS A 66 -8.790 0.580 -16.787 1.00 41.42 O ATOM 1118 CB LYS A 66 -9.148 3.700 -15.280 1.00 1.05 C ATOM 1119 CG LYS A 66 -9.019 4.161 -16.720 1.00 54.23 C ATOM 1120 CD LYS A 66 -8.428 5.560 -16.772 1.00 0.01 C ATOM 1121 CE LYS A 66 -8.179 6.017 -18.196 1.00 63.40 C ATOM 1122 NZ LYS A 66 -7.452 7.313 -18.241 1.00 1.04 N ATOM 0 H LYS A 66 -8.508 2.535 -13.197 1.00 24.10 H new ATOM 0 HA LYS A 66 -10.344 1.887 -15.367 1.00 32.43 H new ATOM 0 HB2 LYS A 66 -9.995 4.215 -14.826 1.00 1.05 H new ATOM 0 HB3 LYS A 66 -8.256 4.011 -14.735 1.00 1.05 H new ATOM 0 HG2 LYS A 66 -8.385 3.470 -17.275 1.00 54.23 H new ATOM 0 HG3 LYS A 66 -9.997 4.153 -17.201 1.00 54.23 H new ATOM 0 HD2 LYS A 66 -9.105 6.258 -16.280 1.00 0.01 H new ATOM 0 HD3 LYS A 66 -7.491 5.579 -16.216 1.00 0.01 H new ATOM 0 HE2 LYS A 66 -7.603 5.258 -18.726 1.00 63.40 H new ATOM 0 HE3 LYS A 66 -9.131 6.116 -18.718 1.00 63.40 H new ATOM 0 HZ1 LYS A 66 -7.301 7.592 -19.231 1.00 1.04 H new ATOM 0 HZ2 LYS A 66 -8.013 8.043 -17.758 1.00 1.04 H new ATOM 0 HZ3 LYS A 66 -6.533 7.212 -17.765 1.00 1.04 H new ATOM 1136 N THR A 67 -7.085 1.716 -15.869 1.00 23.10 N ATOM 1137 CA THR A 67 -6.078 1.161 -16.762 1.00 15.22 C ATOM 1138 C THR A 67 -5.815 -0.311 -16.460 1.00 43.51 C ATOM 1139 O THR A 67 -5.808 -1.149 -17.364 1.00 64.11 O ATOM 1140 CB THR A 67 -4.761 1.953 -16.658 1.00 73.12 C ATOM 1141 OG1 THR A 67 -5.030 3.355 -16.801 1.00 4.14 O ATOM 1142 CG2 THR A 67 -3.771 1.514 -17.727 1.00 11.55 C ATOM 0 H THR A 67 -6.712 2.335 -15.149 1.00 23.10 H new ATOM 0 HA THR A 67 -6.466 1.241 -17.777 1.00 15.22 H new ATOM 0 HB THR A 67 -4.320 1.757 -15.680 1.00 73.12 H new ATOM 0 HG1 THR A 67 -4.425 3.865 -16.223 1.00 4.14 H new ATOM 0 HG21 THR A 67 -2.851 2.090 -17.629 1.00 11.55 H new ATOM 0 HG22 THR A 67 -3.550 0.454 -17.605 1.00 11.55 H new ATOM 0 HG23 THR A 67 -4.202 1.683 -18.714 1.00 11.55 H new ATOM 1150 N LEU A 68 -5.606 -0.626 -15.188 1.00 64.01 N ATOM 1151 CA LEU A 68 -5.380 -2.007 -14.779 1.00 42.50 C ATOM 1152 C LEU A 68 -6.695 -2.776 -14.790 1.00 24.44 C ATOM 1153 O LEU A 68 -6.709 -3.990 -14.970 1.00 21.53 O ATOM 1154 CB LEU A 68 -4.743 -2.064 -13.388 1.00 63.23 C ATOM 1155 CG LEU A 68 -3.368 -1.406 -13.268 1.00 23.41 C ATOM 1156 CD1 LEU A 68 -2.846 -1.526 -11.846 1.00 4.43 C ATOM 1157 CD2 LEU A 68 -2.388 -2.031 -14.249 1.00 1.03 C ATOM 0 H LEU A 68 -5.588 0.051 -14.426 1.00 64.01 H new ATOM 0 HA LEU A 68 -4.693 -2.469 -15.488 1.00 42.50 H new ATOM 0 HB2 LEU A 68 -5.418 -1.587 -12.678 1.00 63.23 H new ATOM 0 HB3 LEU A 68 -4.654 -3.109 -13.090 1.00 63.23 H new ATOM 0 HG LEU A 68 -3.470 -0.349 -13.512 1.00 23.41 H new ATOM 0 HD11 LEU A 68 -1.866 -1.053 -11.777 1.00 4.43 H new ATOM 0 HD12 LEU A 68 -3.536 -1.032 -11.162 1.00 4.43 H new ATOM 0 HD13 LEU A 68 -2.760 -2.579 -11.578 1.00 4.43 H new ATOM 0 HD21 LEU A 68 -1.415 -1.549 -14.148 1.00 1.03 H new ATOM 0 HD22 LEU A 68 -2.289 -3.096 -14.036 1.00 1.03 H new ATOM 0 HD23 LEU A 68 -2.756 -1.897 -15.266 1.00 1.03 H new ATOM 1169 N CYS A 69 -7.788 -2.041 -14.603 1.00 13.12 N ATOM 1170 CA CYS A 69 -9.140 -2.596 -14.635 1.00 5.23 C ATOM 1171 C CYS A 69 -9.351 -3.601 -13.503 1.00 51.31 C ATOM 1172 O CYS A 69 -9.166 -4.809 -13.671 1.00 63.41 O ATOM 1173 CB CYS A 69 -9.444 -3.233 -15.996 1.00 61.40 C ATOM 1174 SG CYS A 69 -11.205 -3.493 -16.311 1.00 24.13 S ATOM 0 H CYS A 69 -7.761 -1.037 -14.424 1.00 13.12 H new ATOM 0 HA CYS A 69 -9.839 -1.773 -14.486 1.00 5.23 H new ATOM 0 HB2 CYS A 69 -9.035 -2.598 -16.782 1.00 61.40 H new ATOM 0 HB3 CYS A 69 -8.929 -4.191 -16.060 1.00 61.40 H new ATOM 0 HG CYS A 69 -11.361 -4.032 -17.483 1.00 24.13 H new ATOM 1180 N ASN A 70 -9.719 -3.083 -12.341 1.00 70.11 N ATOM 1181 CA ASN A 70 -9.972 -3.907 -11.168 1.00 53.33 C ATOM 1182 C ASN A 70 -11.190 -3.388 -10.421 1.00 44.53 C ATOM 1183 O ASN A 70 -11.653 -2.276 -10.679 1.00 11.13 O ATOM 1184 CB ASN A 70 -8.757 -3.920 -10.231 1.00 71.54 C ATOM 1185 CG ASN A 70 -7.608 -4.759 -10.760 1.00 60.45 C ATOM 1186 OD1 ASN A 70 -7.538 -5.960 -10.505 1.00 0.31 O ATOM 1187 ND2 ASN A 70 -6.695 -4.135 -11.487 1.00 21.23 N ATOM 0 H ASN A 70 -9.850 -2.084 -12.184 1.00 70.11 H new ATOM 0 HA ASN A 70 -10.159 -4.927 -11.504 1.00 53.33 H new ATOM 0 HB2 ASN A 70 -8.412 -2.897 -10.078 1.00 71.54 H new ATOM 0 HB3 ASN A 70 -9.061 -4.303 -9.257 1.00 71.54 H new ATOM 0 HD21 ASN A 70 -5.898 -4.652 -11.858 1.00 21.23 H new ATOM 0 HD22 ASN A 70 -6.789 -3.137 -11.677 1.00 21.23 H new ATOM 1194 N ALA A 71 -11.703 -4.190 -9.498 1.00 65.11 N ATOM 1195 CA ALA A 71 -12.871 -3.808 -8.716 1.00 54.34 C ATOM 1196 C ALA A 71 -12.481 -2.851 -7.596 1.00 13.21 C ATOM 1197 O ALA A 71 -11.305 -2.751 -7.238 1.00 51.25 O ATOM 1198 CB ALA A 71 -13.550 -5.044 -8.145 1.00 11.14 C ATOM 0 H ALA A 71 -11.328 -5.111 -9.272 1.00 65.11 H new ATOM 0 HA ALA A 71 -13.573 -3.295 -9.374 1.00 54.34 H new ATOM 0 HB1 ALA A 71 -14.421 -4.744 -7.563 1.00 11.14 H new ATOM 0 HB2 ALA A 71 -13.865 -5.695 -8.960 1.00 11.14 H new ATOM 0 HB3 ALA A 71 -12.851 -5.579 -7.502 1.00 11.14 H new ATOM 1204 N ASP A 72 -13.471 -2.160 -7.038 1.00 74.11 N ATOM 1205 CA ASP A 72 -13.227 -1.196 -5.965 1.00 52.23 C ATOM 1206 C ASP A 72 -12.587 -1.876 -4.761 1.00 14.50 C ATOM 1207 O ASP A 72 -11.677 -1.327 -4.147 1.00 4.31 O ATOM 1208 CB ASP A 72 -14.522 -0.489 -5.534 1.00 32.35 C ATOM 1209 CG ASP A 72 -15.523 -1.420 -4.874 1.00 61.30 C ATOM 1210 OD1 ASP A 72 -16.276 -2.103 -5.602 1.00 2.25 O ATOM 1211 OD2 ASP A 72 -15.562 -1.476 -3.626 1.00 73.44 O ATOM 0 H ASP A 72 -14.450 -2.248 -7.310 1.00 74.11 H new ATOM 0 HA ASP A 72 -12.541 -0.445 -6.357 1.00 52.23 H new ATOM 0 HB2 ASP A 72 -14.275 0.317 -4.843 1.00 32.35 H new ATOM 0 HB3 ASP A 72 -14.985 -0.029 -6.407 1.00 32.35 H new ATOM 1216 N SER A 73 -13.053 -3.078 -4.441 1.00 25.34 N ATOM 1217 CA SER A 73 -12.516 -3.838 -3.321 1.00 12.43 C ATOM 1218 C SER A 73 -11.043 -4.164 -3.551 1.00 63.13 C ATOM 1219 O SER A 73 -10.221 -4.046 -2.643 1.00 72.10 O ATOM 1220 CB SER A 73 -13.327 -5.120 -3.136 1.00 42.54 C ATOM 1221 OG SER A 73 -14.713 -4.824 -3.044 1.00 51.12 O ATOM 0 H SER A 73 -13.805 -3.548 -4.945 1.00 25.34 H new ATOM 0 HA SER A 73 -12.591 -3.236 -2.415 1.00 12.43 H new ATOM 0 HB2 SER A 73 -13.148 -5.794 -3.974 1.00 42.54 H new ATOM 0 HB3 SER A 73 -12.999 -5.638 -2.234 1.00 42.54 H new ATOM 0 HG SER A 73 -15.218 -5.656 -2.928 1.00 51.12 H new ATOM 1227 N THR A 74 -10.718 -4.545 -4.778 1.00 24.21 N ATOM 1228 CA THR A 74 -9.349 -4.856 -5.146 1.00 22.44 C ATOM 1229 C THR A 74 -8.477 -3.608 -5.053 1.00 0.23 C ATOM 1230 O THR A 74 -7.372 -3.643 -4.507 1.00 64.12 O ATOM 1231 CB THR A 74 -9.289 -5.412 -6.581 1.00 54.15 C ATOM 1232 OG1 THR A 74 -10.378 -6.320 -6.793 1.00 42.41 O ATOM 1233 CG2 THR A 74 -7.972 -6.132 -6.834 1.00 72.12 C ATOM 0 H THR A 74 -11.390 -4.646 -5.538 1.00 24.21 H new ATOM 0 HA THR A 74 -8.976 -5.610 -4.453 1.00 22.44 H new ATOM 0 HB THR A 74 -9.364 -4.575 -7.275 1.00 54.15 H new ATOM 0 HG1 THR A 74 -10.338 -6.671 -7.707 1.00 42.41 H new ATOM 0 HG21 THR A 74 -7.957 -6.514 -7.855 1.00 72.12 H new ATOM 0 HG22 THR A 74 -7.144 -5.436 -6.695 1.00 72.12 H new ATOM 0 HG23 THR A 74 -7.871 -6.961 -6.134 1.00 72.12 H new ATOM 1241 N ALA A 75 -8.998 -2.503 -5.573 1.00 34.44 N ATOM 1242 CA ALA A 75 -8.282 -1.237 -5.569 1.00 63.51 C ATOM 1243 C ALA A 75 -8.060 -0.722 -4.149 1.00 33.02 C ATOM 1244 O ALA A 75 -6.942 -0.361 -3.781 1.00 34.34 O ATOM 1245 CB ALA A 75 -9.038 -0.207 -6.392 1.00 74.12 C ATOM 0 H ALA A 75 -9.921 -2.461 -6.005 1.00 34.44 H new ATOM 0 HA ALA A 75 -7.302 -1.405 -6.017 1.00 63.51 H new ATOM 0 HB1 ALA A 75 -8.493 0.737 -6.382 1.00 74.12 H new ATOM 0 HB2 ALA A 75 -9.133 -0.561 -7.419 1.00 74.12 H new ATOM 0 HB3 ALA A 75 -10.030 -0.058 -5.966 1.00 74.12 H new ATOM 1251 N GLN A 76 -9.127 -0.701 -3.355 1.00 41.12 N ATOM 1252 CA GLN A 76 -9.067 -0.216 -1.989 1.00 2.23 C ATOM 1253 C GLN A 76 -8.112 -1.069 -1.159 1.00 3.31 C ATOM 1254 O GLN A 76 -7.355 -0.553 -0.336 1.00 52.44 O ATOM 1255 CB GLN A 76 -10.471 -0.240 -1.388 1.00 55.11 C ATOM 1256 CG GLN A 76 -11.391 0.843 -1.940 1.00 14.20 C ATOM 1257 CD GLN A 76 -10.948 2.248 -1.575 1.00 21.43 C ATOM 1258 OE1 GLN A 76 -10.373 2.480 -0.512 1.00 70.52 O ATOM 1259 NE2 GLN A 76 -11.219 3.198 -2.456 1.00 51.22 N ATOM 0 H GLN A 76 -10.052 -1.020 -3.644 1.00 41.12 H new ATOM 0 HA GLN A 76 -8.690 0.807 -1.984 1.00 2.23 H new ATOM 0 HB2 GLN A 76 -10.920 -1.216 -1.574 1.00 55.11 H new ATOM 0 HB3 GLN A 76 -10.396 -0.125 -0.307 1.00 55.11 H new ATOM 0 HG2 GLN A 76 -11.436 0.754 -3.025 1.00 14.20 H new ATOM 0 HG3 GLN A 76 -12.401 0.679 -1.565 1.00 14.20 H new ATOM 0 HE21 GLN A 76 -11.697 2.965 -3.326 1.00 51.22 H new ATOM 0 HE22 GLN A 76 -10.949 4.163 -2.265 1.00 51.22 H new ATOM 1268 N ARG A 77 -8.137 -2.376 -1.395 1.00 42.41 N ATOM 1269 CA ARG A 77 -7.246 -3.301 -0.702 1.00 14.31 C ATOM 1270 C ARG A 77 -5.787 -3.049 -1.062 1.00 21.31 C ATOM 1271 O ARG A 77 -4.916 -3.049 -0.193 1.00 30.03 O ATOM 1272 CB ARG A 77 -7.606 -4.748 -1.029 1.00 75.24 C ATOM 1273 CG ARG A 77 -8.562 -5.377 -0.036 1.00 74.21 C ATOM 1274 CD ARG A 77 -8.902 -6.799 -0.438 1.00 10.23 C ATOM 1275 NE ARG A 77 -9.331 -7.603 0.706 1.00 12.20 N ATOM 1276 CZ ARG A 77 -9.760 -8.861 0.615 1.00 54.23 C ATOM 1277 NH1 ARG A 77 -9.944 -9.417 -0.576 1.00 10.22 N ATOM 1278 NH2 ARG A 77 -10.031 -9.551 1.717 1.00 54.24 N ATOM 0 H ARG A 77 -8.767 -2.821 -2.063 1.00 42.41 H new ATOM 0 HA ARG A 77 -7.374 -3.129 0.367 1.00 14.31 H new ATOM 0 HB2 ARG A 77 -8.051 -4.787 -2.023 1.00 75.24 H new ATOM 0 HB3 ARG A 77 -6.692 -5.341 -1.066 1.00 75.24 H new ATOM 0 HG2 ARG A 77 -8.115 -5.373 0.958 1.00 74.21 H new ATOM 0 HG3 ARG A 77 -9.474 -4.783 0.023 1.00 74.21 H new ATOM 0 HD2 ARG A 77 -9.693 -6.785 -1.188 1.00 10.23 H new ATOM 0 HD3 ARG A 77 -8.031 -7.263 -0.901 1.00 10.23 H new ATOM 0 HE ARG A 77 -9.300 -7.174 1.631 1.00 12.20 H new ATOM 0 HH11 ARG A 77 -9.757 -8.881 -1.423 1.00 10.22 H new ATOM 0 HH12 ARG A 77 -10.272 -10.380 -0.644 1.00 10.22 H new ATOM 0 HH21 ARG A 77 -9.911 -9.118 2.633 1.00 54.24 H new ATOM 0 HH22 ARG A 77 -10.359 -10.514 1.648 1.00 54.24 H new ATOM 1292 N ASN A 78 -5.520 -2.843 -2.341 1.00 61.45 N ATOM 1293 CA ASN A 78 -4.166 -2.634 -2.804 1.00 70.05 C ATOM 1294 C ASN A 78 -3.626 -1.290 -2.322 1.00 12.41 C ATOM 1295 O ASN A 78 -2.456 -1.169 -1.961 1.00 30.42 O ATOM 1296 CB ASN A 78 -4.137 -2.719 -4.322 1.00 62.34 C ATOM 1297 CG ASN A 78 -2.770 -3.068 -4.851 1.00 42.51 C ATOM 1298 OD1 ASN A 78 -1.989 -3.756 -4.193 1.00 53.11 O ATOM 1299 ND2 ASN A 78 -2.478 -2.616 -6.050 1.00 41.01 N ATOM 0 H ASN A 78 -6.227 -2.817 -3.075 1.00 61.45 H new ATOM 0 HA ASN A 78 -3.523 -3.410 -2.390 1.00 70.05 H new ATOM 0 HB2 ASN A 78 -4.855 -3.469 -4.655 1.00 62.34 H new ATOM 0 HB3 ASN A 78 -4.454 -1.765 -4.743 1.00 62.34 H new ATOM 0 HD21 ASN A 78 -1.574 -2.832 -6.470 1.00 41.01 H new ATOM 0 HD22 ASN A 78 -3.155 -2.049 -6.560 1.00 41.01 H new ATOM 1306 N LEU A 79 -4.492 -0.286 -2.289 1.00 23.11 N ATOM 1307 CA LEU A 79 -4.108 1.033 -1.795 1.00 64.12 C ATOM 1308 C LEU A 79 -3.870 1.005 -0.290 1.00 14.35 C ATOM 1309 O LEU A 79 -2.956 1.657 0.213 1.00 11.12 O ATOM 1310 CB LEU A 79 -5.167 2.083 -2.137 1.00 45.14 C ATOM 1311 CG LEU A 79 -5.247 2.477 -3.612 1.00 63.43 C ATOM 1312 CD1 LEU A 79 -6.311 3.540 -3.817 1.00 14.33 C ATOM 1313 CD2 LEU A 79 -3.897 2.971 -4.112 1.00 25.12 C ATOM 0 H LEU A 79 -5.462 -0.357 -2.597 1.00 23.11 H new ATOM 0 HA LEU A 79 -3.177 1.308 -2.291 1.00 64.12 H new ATOM 0 HB2 LEU A 79 -6.141 1.707 -1.826 1.00 45.14 H new ATOM 0 HB3 LEU A 79 -4.969 2.979 -1.549 1.00 45.14 H new ATOM 0 HG LEU A 79 -5.521 1.594 -4.189 1.00 63.43 H new ATOM 0 HD11 LEU A 79 -6.356 3.811 -4.872 1.00 14.33 H new ATOM 0 HD12 LEU A 79 -7.279 3.152 -3.500 1.00 14.33 H new ATOM 0 HD13 LEU A 79 -6.063 4.422 -3.227 1.00 14.33 H new ATOM 0 HD21 LEU A 79 -3.977 3.246 -5.164 1.00 25.12 H new ATOM 0 HD22 LEU A 79 -3.590 3.841 -3.532 1.00 25.12 H new ATOM 0 HD23 LEU A 79 -3.156 2.180 -3.999 1.00 25.12 H new ATOM 1325 N SER A 80 -4.683 0.239 0.430 1.00 52.13 N ATOM 1326 CA SER A 80 -4.506 0.104 1.870 1.00 0.23 C ATOM 1327 C SER A 80 -3.268 -0.733 2.183 1.00 15.24 C ATOM 1328 O SER A 80 -2.788 -0.741 3.312 1.00 70.21 O ATOM 1329 CB SER A 80 -5.755 -0.494 2.527 1.00 12.41 C ATOM 1330 OG SER A 80 -6.205 -1.640 1.831 1.00 61.42 O ATOM 0 H SER A 80 -5.463 -0.293 0.044 1.00 52.13 H new ATOM 0 HA SER A 80 -4.358 1.100 2.288 1.00 0.23 H new ATOM 0 HB2 SER A 80 -5.533 -0.758 3.561 1.00 12.41 H new ATOM 0 HB3 SER A 80 -6.548 0.253 2.552 1.00 12.41 H new ATOM 0 HG SER A 80 -6.813 -1.368 1.112 1.00 61.42 H new ATOM 1336 N THR A 81 -2.748 -1.425 1.173 1.00 22.40 N ATOM 1337 CA THR A 81 -1.491 -2.144 1.310 1.00 51.23 C ATOM 1338 C THR A 81 -0.338 -1.142 1.377 1.00 32.14 C ATOM 1339 O THR A 81 0.590 -1.288 2.173 1.00 65.32 O ATOM 1340 CB THR A 81 -1.281 -3.129 0.141 1.00 22.25 C ATOM 1341 OG1 THR A 81 -2.412 -4.003 0.036 1.00 14.51 O ATOM 1342 CG2 THR A 81 -0.025 -3.962 0.335 1.00 45.11 C ATOM 0 H THR A 81 -3.180 -1.501 0.252 1.00 22.40 H new ATOM 0 HA THR A 81 -1.521 -2.727 2.231 1.00 51.23 H new ATOM 0 HB THR A 81 -1.170 -2.545 -0.772 1.00 22.25 H new ATOM 0 HG1 THR A 81 -3.187 -3.498 -0.289 1.00 14.51 H new ATOM 0 HG21 THR A 81 0.092 -4.645 -0.506 1.00 45.11 H new ATOM 0 HG22 THR A 81 0.842 -3.304 0.392 1.00 45.11 H new ATOM 0 HG23 THR A 81 -0.108 -4.535 1.259 1.00 45.11 H new ATOM 1350 N ILE A 82 -0.427 -0.105 0.551 1.00 52.34 N ATOM 1351 CA ILE A 82 0.501 1.015 0.619 1.00 5.04 C ATOM 1352 C ILE A 82 0.279 1.773 1.927 1.00 34.43 C ATOM 1353 O ILE A 82 1.225 2.171 2.602 1.00 0.41 O ATOM 1354 CB ILE A 82 0.312 1.973 -0.584 1.00 33.54 C ATOM 1355 CG1 ILE A 82 0.660 1.256 -1.893 1.00 34.01 C ATOM 1356 CG2 ILE A 82 1.161 3.226 -0.423 1.00 34.42 C ATOM 1357 CD1 ILE A 82 0.349 2.069 -3.133 1.00 54.51 C ATOM 0 H ILE A 82 -1.137 -0.018 -0.176 1.00 52.34 H new ATOM 0 HA ILE A 82 1.519 0.627 0.582 1.00 5.04 H new ATOM 0 HB ILE A 82 -0.734 2.276 -0.616 1.00 33.54 H new ATOM 0 HG12 ILE A 82 1.721 1.006 -1.889 1.00 34.01 H new ATOM 0 HG13 ILE A 82 0.111 0.315 -1.939 1.00 34.01 H new ATOM 0 HG21 ILE A 82 1.009 3.881 -1.281 1.00 34.42 H new ATOM 0 HG22 ILE A 82 0.870 3.748 0.488 1.00 34.42 H new ATOM 0 HG23 ILE A 82 2.213 2.947 -0.361 1.00 34.42 H new ATOM 0 HD11 ILE A 82 0.622 1.498 -4.020 1.00 54.51 H new ATOM 0 HD12 ILE A 82 -0.717 2.297 -3.161 1.00 54.51 H new ATOM 0 HD13 ILE A 82 0.918 2.998 -3.111 1.00 54.51 H new ATOM 1369 N LYS A 83 -0.991 1.924 2.289 1.00 31.31 N ATOM 1370 CA LYS A 83 -1.386 2.572 3.538 1.00 43.24 C ATOM 1371 C LYS A 83 -0.717 1.891 4.730 1.00 72.32 C ATOM 1372 O LYS A 83 -0.439 2.536 5.734 1.00 31.34 O ATOM 1373 CB LYS A 83 -2.918 2.546 3.661 1.00 3.23 C ATOM 1374 CG LYS A 83 -3.506 3.558 4.636 1.00 50.10 C ATOM 1375 CD LYS A 83 -3.579 3.017 6.052 1.00 21.24 C ATOM 1376 CE LYS A 83 -4.277 3.996 6.984 1.00 44.24 C ATOM 1377 NZ LYS A 83 -4.302 3.505 8.387 1.00 73.43 N ATOM 0 H LYS A 83 -1.777 1.601 1.725 1.00 31.31 H new ATOM 0 HA LYS A 83 -1.056 3.611 3.531 1.00 43.24 H new ATOM 0 HB2 LYS A 83 -3.349 2.722 2.675 1.00 3.23 H new ATOM 0 HB3 LYS A 83 -3.225 1.547 3.970 1.00 3.23 H new ATOM 0 HG2 LYS A 83 -2.900 4.464 4.626 1.00 50.10 H new ATOM 0 HG3 LYS A 83 -4.506 3.840 4.305 1.00 50.10 H new ATOM 0 HD2 LYS A 83 -4.113 2.067 6.053 1.00 21.24 H new ATOM 0 HD3 LYS A 83 -2.572 2.817 6.419 1.00 21.24 H new ATOM 0 HE2 LYS A 83 -3.768 4.959 6.946 1.00 44.24 H new ATOM 0 HE3 LYS A 83 -5.298 4.161 6.639 1.00 44.24 H new ATOM 0 HZ1 LYS A 83 -4.741 4.223 8.998 1.00 73.43 H new ATOM 0 HZ2 LYS A 83 -4.853 2.624 8.437 1.00 73.43 H new ATOM 0 HZ3 LYS A 83 -3.330 3.324 8.709 1.00 73.43 H new ATOM 1391 N ILE A 84 -0.448 0.595 4.603 1.00 62.11 N ATOM 1392 CA ILE A 84 0.238 -0.156 5.652 1.00 15.14 C ATOM 1393 C ILE A 84 1.597 0.464 5.991 1.00 12.01 C ATOM 1394 O ILE A 84 1.851 0.804 7.149 1.00 60.32 O ATOM 1395 CB ILE A 84 0.437 -1.639 5.253 1.00 21.05 C ATOM 1396 CG1 ILE A 84 -0.912 -2.359 5.156 1.00 41.04 C ATOM 1397 CG2 ILE A 84 1.350 -2.354 6.240 1.00 13.15 C ATOM 1398 CD1 ILE A 84 -1.698 -2.374 6.454 1.00 53.04 C ATOM 0 H ILE A 84 -0.695 0.041 3.783 1.00 62.11 H new ATOM 0 HA ILE A 84 -0.401 -0.111 6.534 1.00 15.14 H new ATOM 0 HB ILE A 84 0.913 -1.660 4.273 1.00 21.05 H new ATOM 0 HG12 ILE A 84 -1.514 -1.879 4.384 1.00 41.04 H new ATOM 0 HG13 ILE A 84 -0.742 -3.386 4.834 1.00 41.04 H new ATOM 0 HG21 ILE A 84 1.472 -3.393 5.935 1.00 13.15 H new ATOM 0 HG22 ILE A 84 2.323 -1.864 6.256 1.00 13.15 H new ATOM 0 HG23 ILE A 84 0.909 -2.317 7.236 1.00 13.15 H new ATOM 0 HD11 ILE A 84 -2.640 -2.902 6.303 1.00 53.04 H new ATOM 0 HD12 ILE A 84 -1.118 -2.881 7.225 1.00 53.04 H new ATOM 0 HD13 ILE A 84 -1.902 -1.350 6.768 1.00 53.04 H new ATOM 1410 N TYR A 85 2.466 0.633 4.991 1.00 1.24 N ATOM 1411 CA TYR A 85 3.803 1.147 5.253 1.00 54.21 C ATOM 1412 C TYR A 85 3.730 2.628 5.604 1.00 25.11 C ATOM 1413 O TYR A 85 4.512 3.122 6.415 1.00 1.22 O ATOM 1414 CB TYR A 85 4.751 0.900 4.063 1.00 72.12 C ATOM 1415 CG TYR A 85 4.928 2.064 3.101 1.00 35.11 C ATOM 1416 CD1 TYR A 85 5.934 3.004 3.303 1.00 54.34 C ATOM 1417 CD2 TYR A 85 4.106 2.217 1.995 1.00 60.34 C ATOM 1418 CE1 TYR A 85 6.110 4.062 2.433 1.00 4.14 C ATOM 1419 CE2 TYR A 85 4.276 3.273 1.120 1.00 40.21 C ATOM 1420 CZ TYR A 85 5.279 4.193 1.343 1.00 32.23 C ATOM 1421 OH TYR A 85 5.449 5.246 0.472 1.00 2.00 O ATOM 0 H TYR A 85 2.269 0.425 4.012 1.00 1.24 H new ATOM 0 HA TYR A 85 4.217 0.606 6.104 1.00 54.21 H new ATOM 0 HB2 TYR A 85 5.730 0.626 4.455 1.00 72.12 H new ATOM 0 HB3 TYR A 85 4.381 0.043 3.501 1.00 72.12 H new ATOM 0 HD1 TYR A 85 6.589 2.904 4.156 1.00 54.34 H new ATOM 0 HD2 TYR A 85 3.320 1.499 1.814 1.00 60.34 H new ATOM 0 HE1 TYR A 85 6.895 4.783 2.607 1.00 4.14 H new ATOM 0 HE2 TYR A 85 3.625 3.378 0.264 1.00 40.21 H new ATOM 0 HH TYR A 85 4.781 5.190 -0.243 1.00 2.00 H new ATOM 1431 N VAL A 86 2.772 3.323 4.997 1.00 70.42 N ATOM 1432 CA VAL A 86 2.520 4.721 5.317 1.00 1.03 C ATOM 1433 C VAL A 86 2.156 4.857 6.788 1.00 51.24 C ATOM 1434 O VAL A 86 2.748 5.644 7.519 1.00 75.11 O ATOM 1435 CB VAL A 86 1.378 5.295 4.448 1.00 52.24 C ATOM 1436 CG1 VAL A 86 1.013 6.707 4.878 1.00 14.13 C ATOM 1437 CG2 VAL A 86 1.771 5.274 2.980 1.00 62.32 C ATOM 0 H VAL A 86 2.157 2.938 4.280 1.00 70.42 H new ATOM 0 HA VAL A 86 3.429 5.285 5.108 1.00 1.03 H new ATOM 0 HB VAL A 86 0.500 4.665 4.588 1.00 52.24 H new ATOM 0 HG11 VAL A 86 0.207 7.082 4.248 1.00 14.13 H new ATOM 0 HG12 VAL A 86 0.686 6.698 5.918 1.00 14.13 H new ATOM 0 HG13 VAL A 86 1.884 7.355 4.777 1.00 14.13 H new ATOM 0 HG21 VAL A 86 0.957 5.681 2.380 1.00 62.32 H new ATOM 0 HG22 VAL A 86 2.667 5.878 2.834 1.00 62.32 H new ATOM 0 HG23 VAL A 86 1.971 4.248 2.672 1.00 62.32 H new ATOM 1447 N SER A 87 1.196 4.051 7.212 1.00 71.24 N ATOM 1448 CA SER A 87 0.733 4.045 8.586 1.00 53.14 C ATOM 1449 C SER A 87 1.842 3.638 9.552 1.00 43.41 C ATOM 1450 O SER A 87 1.933 4.173 10.657 1.00 34.03 O ATOM 1451 CB SER A 87 -0.469 3.114 8.708 1.00 44.02 C ATOM 1452 OG SER A 87 -1.666 3.860 8.840 1.00 4.12 O ATOM 0 H SER A 87 0.716 3.382 6.610 1.00 71.24 H new ATOM 0 HA SER A 87 0.434 5.057 8.858 1.00 53.14 H new ATOM 0 HB2 SER A 87 -0.529 2.472 7.829 1.00 44.02 H new ATOM 0 HB3 SER A 87 -0.344 2.461 9.572 1.00 44.02 H new ATOM 0 HG SER A 87 -2.017 3.757 9.749 1.00 4.12 H new ATOM 1458 N ALA A 88 2.690 2.705 9.136 1.00 74.33 N ATOM 1459 CA ALA A 88 3.852 2.325 9.934 1.00 43.35 C ATOM 1460 C ALA A 88 4.791 3.516 10.094 1.00 41.05 C ATOM 1461 O ALA A 88 5.292 3.792 11.187 1.00 55.32 O ATOM 1462 CB ALA A 88 4.583 1.158 9.290 1.00 72.13 C ATOM 0 H ALA A 88 2.597 2.199 8.255 1.00 74.33 H new ATOM 0 HA ALA A 88 3.509 2.013 10.921 1.00 43.35 H new ATOM 0 HB1 ALA A 88 5.446 0.889 9.899 1.00 72.13 H new ATOM 0 HB2 ALA A 88 3.910 0.304 9.216 1.00 72.13 H new ATOM 0 HB3 ALA A 88 4.917 1.444 8.293 1.00 72.13 H new ATOM 1468 N ALA A 89 4.999 4.230 8.994 1.00 0.02 N ATOM 1469 CA ALA A 89 5.832 5.424 8.979 1.00 53.22 C ATOM 1470 C ALA A 89 5.193 6.547 9.781 1.00 42.00 C ATOM 1471 O ALA A 89 5.866 7.480 10.201 1.00 43.11 O ATOM 1472 CB ALA A 89 6.097 5.869 7.549 1.00 63.15 C ATOM 0 H ALA A 89 4.594 3.996 8.087 1.00 0.02 H new ATOM 0 HA ALA A 89 6.785 5.178 9.448 1.00 53.22 H new ATOM 0 HB1 ALA A 89 6.721 6.763 7.556 1.00 63.15 H new ATOM 0 HB2 ALA A 89 6.609 5.073 7.009 1.00 63.15 H new ATOM 0 HB3 ALA A 89 5.151 6.091 7.056 1.00 63.15 H new ATOM 1478 N ILE A 90 3.891 6.482 9.954 1.00 12.15 N ATOM 1479 CA ILE A 90 3.197 7.448 10.784 1.00 14.43 C ATOM 1480 C ILE A 90 3.314 7.077 12.260 1.00 42.30 C ATOM 1481 O ILE A 90 3.567 7.928 13.110 1.00 53.23 O ATOM 1482 CB ILE A 90 1.705 7.540 10.406 1.00 2.40 C ATOM 1483 CG1 ILE A 90 1.553 8.007 8.963 1.00 11.50 C ATOM 1484 CG2 ILE A 90 0.961 8.478 11.348 1.00 34.12 C ATOM 1485 CD1 ILE A 90 0.145 7.873 8.441 1.00 70.52 C ATOM 0 H ILE A 90 3.291 5.773 9.533 1.00 12.15 H new ATOM 0 HA ILE A 90 3.667 8.416 10.613 1.00 14.43 H new ATOM 0 HB ILE A 90 1.268 6.546 10.502 1.00 2.40 H new ATOM 0 HG12 ILE A 90 1.863 9.050 8.891 1.00 11.50 H new ATOM 0 HG13 ILE A 90 2.225 7.430 8.328 1.00 11.50 H new ATOM 0 HG21 ILE A 90 -0.089 8.525 11.060 1.00 34.12 H new ATOM 0 HG22 ILE A 90 1.041 8.106 12.370 1.00 34.12 H new ATOM 0 HG23 ILE A 90 1.399 9.475 11.290 1.00 34.12 H new ATOM 0 HD11 ILE A 90 0.105 8.222 7.409 1.00 70.52 H new ATOM 0 HD12 ILE A 90 -0.160 6.827 8.482 1.00 70.52 H new ATOM 0 HD13 ILE A 90 -0.529 8.472 9.053 1.00 70.52 H new ATOM 1497 N LYS A 91 3.143 5.794 12.549 1.00 20.45 N ATOM 1498 CA LYS A 91 3.064 5.322 13.923 1.00 63.23 C ATOM 1499 C LYS A 91 4.399 5.451 14.650 1.00 20.14 C ATOM 1500 O LYS A 91 4.447 5.896 15.797 1.00 15.31 O ATOM 1501 CB LYS A 91 2.594 3.865 13.950 1.00 61.11 C ATOM 1502 CG LYS A 91 2.198 3.391 15.336 1.00 72.24 C ATOM 1503 CD LYS A 91 1.146 4.307 15.933 1.00 64.32 C ATOM 1504 CE LYS A 91 0.691 3.835 17.301 1.00 45.23 C ATOM 1505 NZ LYS A 91 -0.295 4.774 17.895 1.00 5.11 N ATOM 0 H LYS A 91 3.056 5.060 11.846 1.00 20.45 H new ATOM 0 HA LYS A 91 2.343 5.951 14.445 1.00 63.23 H new ATOM 0 HB2 LYS A 91 1.744 3.752 13.277 1.00 61.11 H new ATOM 0 HB3 LYS A 91 3.390 3.226 13.568 1.00 61.11 H new ATOM 0 HG2 LYS A 91 1.813 2.373 15.282 1.00 72.24 H new ATOM 0 HG3 LYS A 91 3.075 3.366 15.982 1.00 72.24 H new ATOM 0 HD2 LYS A 91 1.548 5.317 16.013 1.00 64.32 H new ATOM 0 HD3 LYS A 91 0.288 4.358 15.263 1.00 64.32 H new ATOM 0 HE2 LYS A 91 0.247 2.843 17.217 1.00 45.23 H new ATOM 0 HE3 LYS A 91 1.553 3.743 17.962 1.00 45.23 H new ATOM 0 HZ1 LYS A 91 -0.587 4.425 18.830 1.00 5.11 H new ATOM 0 HZ2 LYS A 91 0.138 5.714 17.997 1.00 5.11 H new ATOM 0 HZ3 LYS A 91 -1.127 4.842 17.275 1.00 5.11 H new ATOM 1519 N LYS A 92 5.477 5.067 13.991 1.00 32.23 N ATOM 1520 CA LYS A 92 6.787 5.110 14.612 1.00 43.43 C ATOM 1521 C LYS A 92 7.844 5.607 13.633 1.00 45.21 C ATOM 1522 O LYS A 92 9.041 5.403 13.840 1.00 10.15 O ATOM 1523 CB LYS A 92 7.160 3.722 15.125 1.00 72.02 C ATOM 1524 CG LYS A 92 7.230 2.664 14.038 1.00 64.40 C ATOM 1525 CD LYS A 92 7.589 1.304 14.609 1.00 22.33 C ATOM 1526 CE LYS A 92 7.822 0.287 13.506 1.00 55.42 C ATOM 1527 NZ LYS A 92 8.128 -1.062 14.048 1.00 61.45 N ATOM 0 H LYS A 92 5.471 4.724 13.031 1.00 32.23 H new ATOM 0 HA LYS A 92 6.747 5.808 15.448 1.00 43.43 H new ATOM 0 HB2 LYS A 92 8.126 3.778 15.627 1.00 72.02 H new ATOM 0 HB3 LYS A 92 6.430 3.413 15.873 1.00 72.02 H new ATOM 0 HG2 LYS A 92 6.270 2.603 13.526 1.00 64.40 H new ATOM 0 HG3 LYS A 92 7.971 2.954 13.293 1.00 64.40 H new ATOM 0 HD2 LYS A 92 8.486 1.390 15.223 1.00 22.33 H new ATOM 0 HD3 LYS A 92 6.788 0.958 15.262 1.00 22.33 H new ATOM 0 HE2 LYS A 92 6.937 0.231 12.872 1.00 55.42 H new ATOM 0 HE3 LYS A 92 8.646 0.619 12.875 1.00 55.42 H new ATOM 0 HZ1 LYS A 92 8.280 -1.726 13.262 1.00 61.45 H new ATOM 0 HZ2 LYS A 92 8.987 -1.015 14.632 1.00 61.45 H new ATOM 0 HZ3 LYS A 92 7.331 -1.391 14.630 1.00 61.45 H new ATOM 1541 N GLY A 93 7.402 6.269 12.576 1.00 31.44 N ATOM 1542 CA GLY A 93 8.328 6.736 11.567 1.00 23.52 C ATOM 1543 C GLY A 93 8.551 8.229 11.629 1.00 2.24 C ATOM 1544 O GLY A 93 9.135 8.736 12.585 1.00 54.25 O ATOM 0 H GLY A 93 6.422 6.491 12.399 1.00 31.44 H new ATOM 0 HA2 GLY A 93 9.283 6.224 11.691 1.00 23.52 H new ATOM 0 HA3 GLY A 93 7.949 6.470 10.580 1.00 23.52 H new ATOM 1548 N TYR A 94 8.074 8.939 10.615 1.00 54.12 N ATOM 1549 CA TYR A 94 8.300 10.365 10.514 1.00 23.23 C ATOM 1550 C TYR A 94 7.100 11.083 9.896 1.00 3.32 C ATOM 1551 O TYR A 94 7.087 12.308 9.792 1.00 74.13 O ATOM 1552 CB TYR A 94 9.543 10.608 9.671 1.00 5.31 C ATOM 1553 CG TYR A 94 10.604 11.412 10.382 1.00 73.32 C ATOM 1554 CD1 TYR A 94 11.419 10.817 11.335 1.00 45.51 C ATOM 1555 CD2 TYR A 94 10.784 12.762 10.114 1.00 2.03 C ATOM 1556 CE1 TYR A 94 12.386 11.541 11.999 1.00 53.21 C ATOM 1557 CE2 TYR A 94 11.748 13.494 10.778 1.00 11.43 C ATOM 1558 CZ TYR A 94 12.546 12.878 11.718 1.00 52.32 C ATOM 1559 OH TYR A 94 13.500 13.609 12.387 1.00 44.32 O ATOM 0 H TYR A 94 7.527 8.544 9.850 1.00 54.12 H new ATOM 0 HA TYR A 94 8.440 10.767 11.517 1.00 23.23 H new ATOM 0 HB2 TYR A 94 9.964 9.648 9.374 1.00 5.31 H new ATOM 0 HB3 TYR A 94 9.256 11.127 8.757 1.00 5.31 H new ATOM 0 HD1 TYR A 94 11.293 9.768 11.560 1.00 45.51 H new ATOM 0 HD2 TYR A 94 10.162 13.246 9.376 1.00 2.03 H new ATOM 0 HE1 TYR A 94 13.014 11.062 12.735 1.00 53.21 H new ATOM 0 HE2 TYR A 94 11.876 14.544 10.562 1.00 11.43 H new ATOM 0 HH TYR A 94 13.484 14.536 12.070 1.00 44.32 H new ATOM 1569 N MET A 95 6.094 10.322 9.492 1.00 72.53 N ATOM 1570 CA MET A 95 4.916 10.895 8.851 1.00 73.44 C ATOM 1571 C MET A 95 3.879 11.243 9.911 1.00 13.30 C ATOM 1572 O MET A 95 3.688 10.497 10.870 1.00 4.23 O ATOM 1573 CB MET A 95 4.345 9.911 7.823 1.00 22.24 C ATOM 1574 CG MET A 95 3.711 10.583 6.613 1.00 32.20 C ATOM 1575 SD MET A 95 3.069 9.401 5.415 1.00 42.25 S ATOM 1576 CE MET A 95 2.350 10.499 4.196 1.00 25.52 C ATOM 0 H MET A 95 6.068 9.308 9.596 1.00 72.53 H new ATOM 0 HA MET A 95 5.194 11.808 8.324 1.00 73.44 H new ATOM 0 HB2 MET A 95 5.144 9.251 7.483 1.00 22.24 H new ATOM 0 HB3 MET A 95 3.599 9.283 8.310 1.00 22.24 H new ATOM 0 HG2 MET A 95 2.901 11.232 6.946 1.00 32.20 H new ATOM 0 HG3 MET A 95 4.451 11.220 6.128 1.00 32.20 H new ATOM 0 HE1 MET A 95 1.637 9.947 3.585 1.00 25.52 H new ATOM 0 HE2 MET A 95 1.837 11.318 4.701 1.00 25.52 H new ATOM 0 HE3 MET A 95 3.138 10.902 3.560 1.00 25.52 H new ATOM 1586 N GLU A 96 3.227 12.382 9.750 1.00 63.35 N ATOM 1587 CA GLU A 96 2.309 12.880 10.765 1.00 4.34 C ATOM 1588 C GLU A 96 0.891 12.389 10.506 1.00 53.10 C ATOM 1589 O GLU A 96 0.201 11.923 11.415 1.00 40.24 O ATOM 1590 CB GLU A 96 2.331 14.410 10.789 1.00 3.11 C ATOM 1591 CG GLU A 96 1.623 15.012 11.991 1.00 2.24 C ATOM 1592 CD GLU A 96 1.531 16.522 11.921 1.00 20.33 C ATOM 1593 OE1 GLU A 96 2.580 17.193 12.012 1.00 1.33 O ATOM 1594 OE2 GLU A 96 0.405 17.047 11.776 1.00 74.21 O ATOM 0 H GLU A 96 3.315 12.980 8.928 1.00 63.35 H new ATOM 0 HA GLU A 96 2.635 12.499 11.733 1.00 4.34 H new ATOM 0 HB2 GLU A 96 3.367 14.750 10.781 1.00 3.11 H new ATOM 0 HB3 GLU A 96 1.865 14.786 9.878 1.00 3.11 H new ATOM 0 HG2 GLU A 96 0.619 14.594 12.063 1.00 2.24 H new ATOM 0 HG3 GLU A 96 2.153 14.726 12.900 1.00 2.24 H new ATOM 1601 N ASN A 97 0.467 12.483 9.258 1.00 15.13 N ATOM 1602 CA ASN A 97 -0.900 12.135 8.891 1.00 64.41 C ATOM 1603 C ASN A 97 -0.913 11.269 7.648 1.00 31.24 C ATOM 1604 O ASN A 97 -0.039 11.387 6.789 1.00 2.22 O ATOM 1605 CB ASN A 97 -1.755 13.386 8.632 1.00 35.12 C ATOM 1606 CG ASN A 97 -1.836 14.319 9.824 1.00 70.43 C ATOM 1607 OD1 ASN A 97 -2.679 14.152 10.706 1.00 14.21 O ATOM 1608 ND2 ASN A 97 -0.988 15.334 9.832 1.00 45.12 N ATOM 0 H ASN A 97 1.047 12.797 8.480 1.00 15.13 H new ATOM 0 HA ASN A 97 -1.325 11.587 9.732 1.00 64.41 H new ATOM 0 HB2 ASN A 97 -1.342 13.930 7.782 1.00 35.12 H new ATOM 0 HB3 ASN A 97 -2.762 13.077 8.353 1.00 35.12 H new ATOM 0 HD21 ASN A 97 -1.017 16.017 10.589 1.00 45.12 H new ATOM 0 HD22 ASN A 97 -0.305 15.434 9.081 1.00 45.12 H new ATOM 1615 N ASP A 98 -1.904 10.398 7.564 1.00 54.33 N ATOM 1616 CA ASP A 98 -2.090 9.554 6.405 1.00 63.30 C ATOM 1617 C ASP A 98 -2.917 10.289 5.360 1.00 72.52 C ATOM 1618 O ASP A 98 -3.745 11.137 5.698 1.00 73.32 O ATOM 1619 CB ASP A 98 -2.795 8.253 6.796 1.00 62.40 C ATOM 1620 CG ASP A 98 -4.019 8.476 7.654 1.00 63.41 C ATOM 1621 OD1 ASP A 98 -3.865 8.745 8.866 1.00 51.13 O ATOM 1622 OD2 ASP A 98 -5.139 8.377 7.121 1.00 11.03 O ATOM 0 H ASP A 98 -2.599 10.259 8.298 1.00 54.33 H new ATOM 0 HA ASP A 98 -1.111 9.312 5.991 1.00 63.30 H new ATOM 0 HB2 ASP A 98 -3.085 7.718 5.892 1.00 62.40 H new ATOM 0 HB3 ASP A 98 -2.094 7.614 7.333 1.00 62.40 H new ATOM 1627 N PRO A 99 -2.714 9.969 4.078 1.00 43.43 N ATOM 1628 CA PRO A 99 -3.439 10.611 2.980 1.00 74.13 C ATOM 1629 C PRO A 99 -4.944 10.370 3.065 1.00 34.12 C ATOM 1630 O PRO A 99 -5.740 11.254 2.759 1.00 52.25 O ATOM 1631 CB PRO A 99 -2.859 9.946 1.727 1.00 63.33 C ATOM 1632 CG PRO A 99 -2.267 8.669 2.213 1.00 50.41 C ATOM 1633 CD PRO A 99 -1.760 8.959 3.592 1.00 32.20 C ATOM 0 HA PRO A 99 -3.321 11.695 2.993 1.00 74.13 H new ATOM 0 HB2 PRO A 99 -3.633 9.765 0.981 1.00 63.33 H new ATOM 0 HB3 PRO A 99 -2.105 10.578 1.257 1.00 63.33 H new ATOM 0 HG2 PRO A 99 -3.011 7.873 2.228 1.00 50.41 H new ATOM 0 HG3 PRO A 99 -1.459 8.338 1.560 1.00 50.41 H new ATOM 0 HD2 PRO A 99 -1.759 8.068 4.219 1.00 32.20 H new ATOM 0 HD3 PRO A 99 -0.739 9.340 3.577 1.00 32.20 H new ATOM 1641 N PHE A 100 -5.324 9.180 3.525 1.00 11.45 N ATOM 1642 CA PHE A 100 -6.729 8.783 3.585 1.00 22.32 C ATOM 1643 C PHE A 100 -7.493 9.550 4.656 1.00 22.52 C ATOM 1644 O PHE A 100 -8.723 9.515 4.688 1.00 15.42 O ATOM 1645 CB PHE A 100 -6.855 7.281 3.846 1.00 11.35 C ATOM 1646 CG PHE A 100 -6.518 6.426 2.657 1.00 41.20 C ATOM 1647 CD1 PHE A 100 -7.464 6.185 1.674 1.00 14.54 C ATOM 1648 CD2 PHE A 100 -5.260 5.861 2.522 1.00 21.13 C ATOM 1649 CE1 PHE A 100 -7.163 5.397 0.579 1.00 10.23 C ATOM 1650 CE2 PHE A 100 -4.954 5.071 1.430 1.00 53.01 C ATOM 1651 CZ PHE A 100 -5.907 4.839 0.458 1.00 2.23 C ATOM 0 H PHE A 100 -4.674 8.470 3.863 1.00 11.45 H new ATOM 0 HA PHE A 100 -7.168 9.023 2.617 1.00 22.32 H new ATOM 0 HB2 PHE A 100 -6.200 7.010 4.674 1.00 11.35 H new ATOM 0 HB3 PHE A 100 -7.875 7.061 4.162 1.00 11.35 H new ATOM 0 HD1 PHE A 100 -8.449 6.618 1.764 1.00 14.54 H new ATOM 0 HD2 PHE A 100 -4.510 6.040 3.278 1.00 21.13 H new ATOM 0 HE1 PHE A 100 -7.910 5.218 -0.181 1.00 10.23 H new ATOM 0 HE2 PHE A 100 -3.970 4.635 1.337 1.00 53.01 H new ATOM 0 HZ PHE A 100 -5.670 4.222 -0.396 1.00 2.23 H new ATOM 1661 N LYS A 101 -6.773 10.243 5.527 1.00 22.52 N ATOM 1662 CA LYS A 101 -7.394 11.009 6.579 1.00 44.33 C ATOM 1663 C LYS A 101 -8.062 12.255 5.995 1.00 23.52 C ATOM 1664 O LYS A 101 -9.164 12.620 6.392 1.00 42.03 O ATOM 1665 CB LYS A 101 -6.333 11.352 7.631 1.00 45.32 C ATOM 1666 CG LYS A 101 -6.864 12.076 8.847 1.00 11.14 C ATOM 1667 CD LYS A 101 -6.814 13.577 8.656 1.00 22.32 C ATOM 1668 CE LYS A 101 -5.383 14.094 8.693 1.00 71.03 C ATOM 1669 NZ LYS A 101 -5.321 15.574 8.599 1.00 4.55 N ATOM 0 H LYS A 101 -5.754 10.285 5.519 1.00 22.52 H new ATOM 0 HA LYS A 101 -8.179 10.429 7.065 1.00 44.33 H new ATOM 0 HB2 LYS A 101 -5.850 10.430 7.955 1.00 45.32 H new ATOM 0 HB3 LYS A 101 -5.564 11.968 7.165 1.00 45.32 H new ATOM 0 HG2 LYS A 101 -7.891 11.765 9.039 1.00 11.14 H new ATOM 0 HG3 LYS A 101 -6.278 11.799 9.723 1.00 11.14 H new ATOM 0 HD2 LYS A 101 -7.273 13.839 7.703 1.00 22.32 H new ATOM 0 HD3 LYS A 101 -7.399 14.064 9.436 1.00 22.32 H new ATOM 0 HE2 LYS A 101 -4.905 13.770 9.617 1.00 71.03 H new ATOM 0 HE3 LYS A 101 -4.818 13.655 7.871 1.00 71.03 H new ATOM 0 HZ1 LYS A 101 -4.493 15.921 9.124 1.00 4.55 H new ATOM 0 HZ2 LYS A 101 -5.241 15.855 7.601 1.00 4.55 H new ATOM 0 HZ3 LYS A 101 -6.186 15.984 9.006 1.00 4.55 H new ATOM 1683 N ASP A 102 -7.400 12.884 5.028 1.00 71.23 N ATOM 1684 CA ASP A 102 -7.964 14.042 4.340 1.00 73.31 C ATOM 1685 C ASP A 102 -8.691 13.616 3.073 1.00 24.11 C ATOM 1686 O ASP A 102 -9.664 14.243 2.652 1.00 41.01 O ATOM 1687 CB ASP A 102 -6.868 15.053 3.989 1.00 31.14 C ATOM 1688 CG ASP A 102 -6.546 16.005 5.126 1.00 74.03 C ATOM 1689 OD1 ASP A 102 -5.661 15.687 5.946 1.00 14.01 O ATOM 1690 OD2 ASP A 102 -7.171 17.089 5.202 1.00 34.44 O ATOM 0 H ASP A 102 -6.472 12.612 4.703 1.00 71.23 H new ATOM 0 HA ASP A 102 -8.677 14.514 5.015 1.00 73.31 H new ATOM 0 HB2 ASP A 102 -5.963 14.515 3.707 1.00 31.14 H new ATOM 0 HB3 ASP A 102 -7.180 15.630 3.118 1.00 31.14 H new ATOM 1695 N PHE A 103 -8.211 12.541 2.477 1.00 2.22 N ATOM 1696 CA PHE A 103 -8.760 12.035 1.223 1.00 5.43 C ATOM 1697 C PHE A 103 -10.080 11.303 1.453 1.00 60.40 C ATOM 1698 O PHE A 103 -10.992 11.376 0.631 1.00 44.11 O ATOM 1699 CB PHE A 103 -7.742 11.106 0.547 1.00 23.42 C ATOM 1700 CG PHE A 103 -8.243 10.427 -0.697 1.00 11.10 C ATOM 1701 CD1 PHE A 103 -8.515 11.158 -1.842 1.00 21.15 C ATOM 1702 CD2 PHE A 103 -8.432 9.054 -0.721 1.00 40.33 C ATOM 1703 CE1 PHE A 103 -8.967 10.533 -2.988 1.00 43.11 C ATOM 1704 CE2 PHE A 103 -8.885 8.424 -1.863 1.00 2.44 C ATOM 1705 CZ PHE A 103 -9.153 9.164 -2.999 1.00 34.11 C ATOM 0 H PHE A 103 -7.433 11.992 2.843 1.00 2.22 H new ATOM 0 HA PHE A 103 -8.961 12.883 0.568 1.00 5.43 H new ATOM 0 HB2 PHE A 103 -6.853 11.684 0.296 1.00 23.42 H new ATOM 0 HB3 PHE A 103 -7.435 10.343 1.263 1.00 23.42 H new ATOM 0 HD1 PHE A 103 -8.372 12.228 -1.839 1.00 21.15 H new ATOM 0 HD2 PHE A 103 -8.223 8.471 0.163 1.00 40.33 H new ATOM 0 HE1 PHE A 103 -9.175 11.114 -3.874 1.00 43.11 H new ATOM 0 HE2 PHE A 103 -9.030 7.354 -1.869 1.00 2.44 H new ATOM 0 HZ PHE A 103 -9.507 8.673 -3.893 1.00 34.11 H new