USER MOD reduce.3.24.130724 H: found=0, std=0, add=843, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 844 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 85 GLN :FLIP amide:sc= -2.02 F(o=-4.1!,f=-2) USER MOD Set 1.2: A 105 ASN :FLIP amide:sc= 0.00117 F(o=-2.6,f=-2) USER MOD Set 2.1: A 83 LYS NZ :NH3+ -175:sc= 1.16 (180deg=-0.0149) USER MOD Set 2.2: A 95 THR OG1 : rot -170:sc= 1.73 USER MOD Set 2.3: A 103 THR OG1 : rot -87:sc= 0.748 USER MOD Set 3.1: A 57 LYS NZ :NH3+ -147:sc= 1.25 (180deg=-0.584) USER MOD Set 3.2: A 71 SER OG : rot 30:sc= 1.03 USER MOD Set 4.1: A 28 THR OG1 : rot 63:sc= 2.27 USER MOD Set 4.2: A 45 THR OG1 : rot 88:sc= 1.25 USER MOD Set 5.1: A 19 LYS NZ :NH3+ -165:sc= -0.0111 (180deg=-0.125) USER MOD Set 5.2: A 22 GLN :FLIP amide:sc= -1.64! C(o=-4.4!,f=-1.6!) USER MOD Single : A 17 MET CE :methyl 166:sc= 0 (180deg=-0.314) USER MOD Single : A 18 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0173) USER MOD Single : A 21 MET CE :methyl -160:sc= -0.0988 (180deg=-0.573) USER MOD Single : A 23 TYR OH : rot 30:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 154:sc= 1.24 (180deg=0.394) USER MOD Single : A 32 LYS NZ :NH3+ 159:sc= -0.103 (180deg=-0.488) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 153:sc= 1.31 USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 39 SER OG : rot 47:sc= 0.117 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -110:sc= 0.531 (180deg=0) USER MOD Single : A 46 CYS SG : rot -130:sc= -3.56! USER MOD Single : A 47 SER OG : rot 170:sc= 0.823 USER MOD Single : A 48 LYS NZ :NH3+ 168:sc= -0.0696 (180deg=-0.351) USER MOD Single : A 54 GLN : amide:sc= -0.285 K(o=-0.28,f=-0.99) USER MOD Single : A 78 LYS NZ :NH3+ 173:sc= 1.26 (180deg=1.14) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot -12:sc= 0.869 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= 0.465 K(o=0.47,f=-0.91) USER MOD Single : A 89 THR OG1 : rot 56:sc= 1.25 USER MOD Single : A 90 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00224) USER MOD Single : A 97 ASN : amide:sc= -0.501 K(o=-0.5,f=-3.8!) USER MOD Single : A 98 ASN :FLIP amide:sc= 0 F(o=-0.72,f=0) USER MOD Single : A 100 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 102 THR OG1 : rot 68:sc= 1.13 USER MOD Single : A 104 TYR OH : rot -71:sc= 0.0206 USER MOD Single : A 107 THR OG1 : rot -111:sc= -1.83! USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 76:sc= 0.857 USER MOD Single : A 118 GLN :FLIP amide:sc= -4.83! C(o=-5.4!,f=-4.8!) USER MOD Single : A 120 GLN :FLIP amide:sc= -0.371 F(o=-2.4,f=-0.37) USER MOD Single : A 122 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 123 SER OG : rot 58:sc= 1.3 USER MOD Single : A 125 MET CE :methyl 157:sc= -0.14 (180deg=-1.22) USER MOD Single : A 126 LYS NZ :NH3+ -168:sc= -0.0124 (180deg=-0.18) USER MOD Single : A 128 MET CE :methyl -127:sc= -2.66 (180deg=-3.05) USER MOD ----------------------------------------------------------------- ATOM 66 N ARG A 16 17.973 1.503 2.399 1.00 0.40 N ATOM 67 CA ARG A 16 16.657 1.474 1.794 1.00 0.34 C ATOM 68 C ARG A 16 15.924 0.215 2.209 1.00 0.29 C ATOM 69 O ARG A 16 14.787 0.281 2.657 1.00 0.24 O ATOM 70 CB ARG A 16 16.772 1.531 0.270 1.00 0.41 C ATOM 71 CG ARG A 16 15.455 1.326 -0.461 1.00 0.40 C ATOM 72 CD ARG A 16 15.683 1.168 -1.951 1.00 0.51 C ATOM 73 NE ARG A 16 14.430 1.029 -2.694 1.00 1.04 N ATOM 74 CZ ARG A 16 14.343 1.144 -4.018 1.00 1.14 C ATOM 75 NH1 ARG A 16 15.440 1.317 -4.742 1.00 0.97 N ATOM 76 NH2 ARG A 16 13.163 1.069 -4.620 1.00 1.88 N ATOM 0 HA ARG A 16 16.096 2.343 2.136 1.00 0.34 H new ATOM 0 HB2 ARG A 16 17.187 2.497 -0.016 1.00 0.41 H new ATOM 0 HB3 ARG A 16 17.480 0.770 -0.059 1.00 0.41 H new ATOM 0 HG2 ARG A 16 14.951 0.442 -0.070 1.00 0.40 H new ATOM 0 HG3 ARG A 16 14.797 2.175 -0.278 1.00 0.40 H new ATOM 0 HD2 ARG A 16 16.231 2.032 -2.326 1.00 0.51 H new ATOM 0 HD3 ARG A 16 16.308 0.293 -2.130 1.00 0.51 H new ATOM 0 HE ARG A 16 13.577 0.833 -2.170 1.00 1.04 H new ATOM 0 HH11 ARG A 16 16.351 1.362 -4.285 1.00 0.97 H new ATOM 0 HH12 ARG A 16 15.373 1.405 -5.756 1.00 0.97 H new ATOM 0 HH21 ARG A 16 12.318 0.923 -4.069 1.00 1.88 H new ATOM 0 HH22 ARG A 16 13.101 1.158 -5.634 1.00 1.88 H new ATOM 90 N MET A 17 16.591 -0.926 2.084 1.00 0.34 N ATOM 91 CA MET A 17 15.981 -2.205 2.411 1.00 0.35 C ATOM 92 C MET A 17 15.487 -2.239 3.854 1.00 0.31 C ATOM 93 O MET A 17 14.423 -2.787 4.132 1.00 0.31 O ATOM 94 CB MET A 17 16.957 -3.359 2.169 1.00 0.43 C ATOM 95 CG MET A 17 17.198 -3.665 0.700 1.00 0.50 C ATOM 96 SD MET A 17 18.353 -5.029 0.458 1.00 0.63 S ATOM 97 CE MET A 17 18.364 -5.156 -1.329 1.00 1.78 C ATOM 0 H MET A 17 17.555 -0.990 1.758 1.00 0.34 H new ATOM 0 HA MET A 17 15.122 -2.326 1.751 1.00 0.35 H new ATOM 0 HB2 MET A 17 17.910 -3.121 2.641 1.00 0.43 H new ATOM 0 HB3 MET A 17 16.574 -4.254 2.658 1.00 0.43 H new ATOM 0 HG2 MET A 17 16.249 -3.908 0.223 1.00 0.50 H new ATOM 0 HG3 MET A 17 17.585 -2.774 0.205 1.00 0.50 H new ATOM 0 HE1 MET A 17 19.204 -5.775 -1.645 1.00 1.78 H new ATOM 0 HE2 MET A 17 17.432 -5.609 -1.667 1.00 1.78 H new ATOM 0 HE3 MET A 17 18.462 -4.161 -1.764 1.00 1.78 H new ATOM 107 N LYS A 18 16.251 -1.663 4.776 1.00 0.31 N ATOM 108 CA LYS A 18 15.810 -1.611 6.164 1.00 0.32 C ATOM 109 C LYS A 18 14.713 -0.562 6.349 1.00 0.28 C ATOM 110 O LYS A 18 13.791 -0.755 7.137 1.00 0.31 O ATOM 111 CB LYS A 18 16.971 -1.346 7.133 1.00 0.39 C ATOM 112 CG LYS A 18 17.582 0.047 7.050 1.00 0.48 C ATOM 113 CD LYS A 18 17.996 0.546 8.427 1.00 0.64 C ATOM 114 CE LYS A 18 18.995 -0.388 9.094 1.00 1.12 C ATOM 115 NZ LYS A 18 20.287 -0.440 8.365 1.00 1.61 N ATOM 0 H LYS A 18 17.159 -1.235 4.594 1.00 0.31 H new ATOM 0 HA LYS A 18 15.403 -2.593 6.403 1.00 0.32 H new ATOM 0 HB2 LYS A 18 16.618 -1.510 8.151 1.00 0.39 H new ATOM 0 HB3 LYS A 18 17.754 -2.080 6.945 1.00 0.39 H new ATOM 0 HG2 LYS A 18 18.450 0.028 6.390 1.00 0.48 H new ATOM 0 HG3 LYS A 18 16.862 0.738 6.611 1.00 0.48 H new ATOM 0 HD2 LYS A 18 18.434 1.540 8.336 1.00 0.64 H new ATOM 0 HD3 LYS A 18 17.113 0.643 9.058 1.00 0.64 H new ATOM 0 HE2 LYS A 18 19.171 -0.058 10.118 1.00 1.12 H new ATOM 0 HE3 LYS A 18 18.571 -1.391 9.150 1.00 1.12 H new ATOM 0 HZ1 LYS A 18 20.964 -1.021 8.900 1.00 1.61 H new ATOM 0 HZ2 LYS A 18 20.138 -0.859 7.425 1.00 1.61 H new ATOM 0 HZ3 LYS A 18 20.665 0.523 8.259 1.00 1.61 H new ATOM 129 N LYS A 19 14.806 0.538 5.609 1.00 0.25 N ATOM 130 CA LYS A 19 13.848 1.633 5.737 1.00 0.24 C ATOM 131 C LYS A 19 12.506 1.260 5.133 1.00 0.19 C ATOM 132 O LYS A 19 11.457 1.584 5.683 1.00 0.22 O ATOM 133 CB LYS A 19 14.381 2.903 5.077 1.00 0.27 C ATOM 134 CG LYS A 19 14.262 4.140 5.955 1.00 0.33 C ATOM 135 CD LYS A 19 12.847 4.319 6.483 1.00 0.38 C ATOM 136 CE LYS A 19 12.710 5.590 7.304 1.00 0.47 C ATOM 137 NZ LYS A 19 13.590 5.583 8.505 1.00 0.99 N ATOM 0 H LYS A 19 15.535 0.696 4.914 1.00 0.25 H new ATOM 0 HA LYS A 19 13.708 1.823 6.801 1.00 0.24 H new ATOM 0 HB2 LYS A 19 15.428 2.754 4.813 1.00 0.27 H new ATOM 0 HB3 LYS A 19 13.839 3.074 4.147 1.00 0.27 H new ATOM 0 HG2 LYS A 19 14.956 4.061 6.792 1.00 0.33 H new ATOM 0 HG3 LYS A 19 14.552 5.022 5.383 1.00 0.33 H new ATOM 0 HD2 LYS A 19 12.148 4.348 5.647 1.00 0.38 H new ATOM 0 HD3 LYS A 19 12.576 3.459 7.095 1.00 0.38 H new ATOM 0 HE2 LYS A 19 12.955 6.450 6.681 1.00 0.47 H new ATOM 0 HE3 LYS A 19 11.673 5.708 7.617 1.00 0.47 H new ATOM 0 HZ1 LYS A 19 13.288 6.332 9.161 1.00 0.99 H new ATOM 0 HZ2 LYS A 19 13.523 4.660 8.979 1.00 0.99 H new ATOM 0 HZ3 LYS A 19 14.574 5.753 8.215 1.00 0.99 H new ATOM 151 N VAL A 20 12.539 0.577 4.006 1.00 0.16 N ATOM 152 CA VAL A 20 11.319 0.127 3.369 1.00 0.15 C ATOM 153 C VAL A 20 10.632 -0.920 4.231 1.00 0.17 C ATOM 154 O VAL A 20 9.420 -1.022 4.222 1.00 0.19 O ATOM 155 CB VAL A 20 11.561 -0.425 1.954 1.00 0.17 C ATOM 156 CG1 VAL A 20 12.184 0.638 1.072 1.00 0.18 C ATOM 157 CG2 VAL A 20 12.441 -1.654 1.995 1.00 0.21 C ATOM 0 H VAL A 20 13.395 0.322 3.514 1.00 0.16 H new ATOM 0 HA VAL A 20 10.671 0.998 3.266 1.00 0.15 H new ATOM 0 HB VAL A 20 10.597 -0.711 1.533 1.00 0.17 H new ATOM 0 HG11 VAL A 20 12.349 0.232 0.074 1.00 0.18 H new ATOM 0 HG12 VAL A 20 11.515 1.496 1.008 1.00 0.18 H new ATOM 0 HG13 VAL A 20 13.137 0.952 1.498 1.00 0.18 H new ATOM 0 HG21 VAL A 20 12.596 -2.024 0.982 1.00 0.21 H new ATOM 0 HG22 VAL A 20 13.403 -1.398 2.439 1.00 0.21 H new ATOM 0 HG23 VAL A 20 11.959 -2.427 2.594 1.00 0.21 H new ATOM 167 N MET A 21 11.423 -1.705 4.964 1.00 0.19 N ATOM 168 CA MET A 21 10.876 -2.649 5.935 1.00 0.25 C ATOM 169 C MET A 21 10.228 -1.897 7.092 1.00 0.25 C ATOM 170 O MET A 21 9.190 -2.312 7.613 1.00 0.27 O ATOM 171 CB MET A 21 11.966 -3.587 6.455 1.00 0.38 C ATOM 172 CG MET A 21 12.383 -4.648 5.454 1.00 1.02 C ATOM 173 SD MET A 21 11.079 -5.849 5.111 1.00 2.01 S ATOM 174 CE MET A 21 10.935 -6.656 6.705 1.00 2.72 C ATOM 0 H MET A 21 12.441 -1.705 4.903 1.00 0.19 H new ATOM 0 HA MET A 21 10.117 -3.252 5.437 1.00 0.25 H new ATOM 0 HB2 MET A 21 12.840 -2.997 6.732 1.00 0.38 H new ATOM 0 HB3 MET A 21 11.611 -4.075 7.363 1.00 0.38 H new ATOM 0 HG2 MET A 21 12.678 -4.165 4.523 1.00 1.02 H new ATOM 0 HG3 MET A 21 13.261 -5.172 5.833 1.00 1.02 H new ATOM 0 HE1 MET A 21 10.453 -7.626 6.580 1.00 2.72 H new ATOM 0 HE2 MET A 21 11.928 -6.797 7.133 1.00 2.72 H new ATOM 0 HE3 MET A 21 10.337 -6.037 7.373 1.00 2.72 H new ATOM 184 N GLN A 22 10.848 -0.788 7.487 1.00 0.26 N ATOM 185 CA GLN A 22 10.263 0.113 8.467 1.00 0.29 C ATOM 186 C GLN A 22 8.908 0.619 7.973 1.00 0.26 C ATOM 187 O GLN A 22 7.926 0.624 8.717 1.00 0.31 O ATOM 188 CB GLN A 22 11.212 1.288 8.733 1.00 0.33 C ATOM 189 CG GLN A 22 12.523 0.860 9.373 1.00 0.40 C ATOM 190 CD GLN A 22 13.483 2.011 9.621 1.00 0.60 C ATOM 191 OE1 GLN A 22 14.478 2.161 8.757 1.00 1.05 O flip ATOM 192 NE2 GLN A 22 13.371 2.721 10.617 1.00 0.52 N flip ATOM 0 H GLN A 22 11.761 -0.494 7.139 1.00 0.26 H new ATOM 0 HA GLN A 22 10.110 -0.428 9.401 1.00 0.29 H new ATOM 0 HB2 GLN A 22 11.422 1.798 7.793 1.00 0.33 H new ATOM 0 HB3 GLN A 22 10.715 2.009 9.382 1.00 0.33 H new ATOM 0 HG2 GLN A 22 12.310 0.365 10.320 1.00 0.40 H new ATOM 0 HG3 GLN A 22 13.008 0.125 8.731 1.00 0.40 H new ATOM 0 HE21 GLN A 22 12.593 2.578 11.261 1.00 0.52 H new ATOM 0 HE22 GLN A 22 14.056 3.454 10.800 1.00 0.52 H new ATOM 201 N TYR A 23 8.856 1.017 6.708 1.00 0.20 N ATOM 202 CA TYR A 23 7.606 1.450 6.092 1.00 0.19 C ATOM 203 C TYR A 23 6.673 0.267 5.846 1.00 0.17 C ATOM 204 O TYR A 23 5.455 0.412 5.868 1.00 0.18 O ATOM 205 CB TYR A 23 7.871 2.172 4.768 1.00 0.17 C ATOM 206 CG TYR A 23 8.358 3.595 4.929 1.00 0.21 C ATOM 207 CD1 TYR A 23 9.649 3.962 4.568 1.00 0.24 C ATOM 208 CD2 TYR A 23 7.517 4.573 5.436 1.00 0.26 C ATOM 209 CE1 TYR A 23 10.084 5.266 4.712 1.00 0.29 C ATOM 210 CE2 TYR A 23 7.945 5.877 5.584 1.00 0.31 C ATOM 211 CZ TYR A 23 9.229 6.219 5.221 1.00 0.32 C ATOM 212 OH TYR A 23 9.657 7.518 5.373 1.00 0.38 O ATOM 0 H TYR A 23 9.665 1.049 6.087 1.00 0.20 H new ATOM 0 HA TYR A 23 7.125 2.140 6.786 1.00 0.19 H new ATOM 0 HB2 TYR A 23 8.611 1.608 4.200 1.00 0.17 H new ATOM 0 HB3 TYR A 23 6.954 2.177 4.179 1.00 0.17 H new ATOM 0 HD1 TYR A 23 10.322 3.217 4.169 1.00 0.24 H new ATOM 0 HD2 TYR A 23 6.509 4.310 5.720 1.00 0.26 H new ATOM 0 HE1 TYR A 23 11.090 5.537 4.427 1.00 0.29 H new ATOM 0 HE2 TYR A 23 7.276 6.626 5.983 1.00 0.31 H new ATOM 0 HH TYR A 23 10.332 7.722 4.692 1.00 0.38 H new ATOM 222 N ARG A 24 7.262 -0.900 5.622 1.00 0.17 N ATOM 223 CA ARG A 24 6.518 -2.105 5.278 1.00 0.17 C ATOM 224 C ARG A 24 5.569 -2.491 6.400 1.00 0.17 C ATOM 225 O ARG A 24 4.430 -2.872 6.151 1.00 0.19 O ATOM 226 CB ARG A 24 7.487 -3.253 4.971 1.00 0.18 C ATOM 227 CG ARG A 24 6.826 -4.483 4.372 1.00 0.21 C ATOM 228 CD ARG A 24 7.861 -5.457 3.827 1.00 0.25 C ATOM 229 NE ARG A 24 7.240 -6.655 3.264 1.00 0.33 N ATOM 230 CZ ARG A 24 7.717 -7.891 3.420 1.00 0.47 C ATOM 231 NH1 ARG A 24 8.846 -8.096 4.093 1.00 0.57 N ATOM 232 NH2 ARG A 24 7.067 -8.921 2.890 1.00 0.57 N ATOM 0 H ARG A 24 8.271 -1.038 5.674 1.00 0.17 H new ATOM 0 HA ARG A 24 5.923 -1.903 4.388 1.00 0.17 H new ATOM 0 HB2 ARG A 24 8.252 -2.894 4.282 1.00 0.18 H new ATOM 0 HB3 ARG A 24 7.996 -3.540 5.891 1.00 0.18 H new ATOM 0 HG2 ARG A 24 6.221 -4.979 5.131 1.00 0.21 H new ATOM 0 HG3 ARG A 24 6.150 -4.182 3.572 1.00 0.21 H new ATOM 0 HD2 ARG A 24 8.456 -4.962 3.060 1.00 0.25 H new ATOM 0 HD3 ARG A 24 8.545 -5.744 4.626 1.00 0.25 H new ATOM 0 HE ARG A 24 6.387 -6.538 2.717 1.00 0.33 H new ATOM 0 HH11 ARG A 24 9.352 -7.306 4.493 1.00 0.57 H new ATOM 0 HH12 ARG A 24 9.206 -9.043 4.209 1.00 0.57 H new ATOM 0 HH21 ARG A 24 6.206 -8.766 2.366 1.00 0.57 H new ATOM 0 HH22 ARG A 24 7.429 -9.867 3.007 1.00 0.57 H new ATOM 246 N ARG A 25 6.035 -2.368 7.635 1.00 0.18 N ATOM 247 CA ARG A 25 5.197 -2.637 8.798 1.00 0.18 C ATOM 248 C ARG A 25 3.996 -1.703 8.810 1.00 0.17 C ATOM 249 O ARG A 25 2.886 -2.099 9.153 1.00 0.20 O ATOM 250 CB ARG A 25 5.986 -2.444 10.086 1.00 0.22 C ATOM 251 CG ARG A 25 7.226 -3.309 10.179 1.00 0.32 C ATOM 252 CD ARG A 25 7.898 -3.135 11.521 1.00 0.73 C ATOM 253 NE ARG A 25 9.162 -3.864 11.613 1.00 1.44 N ATOM 254 CZ ARG A 25 10.245 -3.391 12.230 1.00 2.11 C ATOM 255 NH1 ARG A 25 10.235 -2.173 12.764 1.00 2.44 N ATOM 256 NH2 ARG A 25 11.341 -4.136 12.308 1.00 2.87 N ATOM 0 H ARG A 25 6.989 -2.084 7.859 1.00 0.18 H new ATOM 0 HA ARG A 25 4.858 -3.671 8.735 1.00 0.18 H new ATOM 0 HB2 ARG A 25 6.278 -1.397 10.169 1.00 0.22 H new ATOM 0 HB3 ARG A 25 5.338 -2.662 10.934 1.00 0.22 H new ATOM 0 HG2 ARG A 25 6.957 -4.355 10.034 1.00 0.32 H new ATOM 0 HG3 ARG A 25 7.921 -3.045 9.382 1.00 0.32 H new ATOM 0 HD2 ARG A 25 8.080 -2.075 11.698 1.00 0.73 H new ATOM 0 HD3 ARG A 25 7.226 -3.479 12.307 1.00 0.73 H new ATOM 0 HE ARG A 25 9.218 -4.786 11.181 1.00 1.44 H new ATOM 0 HH11 ARG A 25 9.396 -1.596 12.703 1.00 2.44 H new ATOM 0 HH12 ARG A 25 11.066 -1.816 13.235 1.00 2.44 H new ATOM 0 HH21 ARG A 25 11.354 -5.069 11.896 1.00 2.87 H new ATOM 0 HH22 ARG A 25 12.170 -3.775 12.780 1.00 2.87 H new ATOM 270 N ALA A 26 4.233 -0.467 8.400 1.00 0.17 N ATOM 271 CA ALA A 26 3.212 0.564 8.426 1.00 0.19 C ATOM 272 C ALA A 26 2.290 0.467 7.217 1.00 0.19 C ATOM 273 O ALA A 26 1.242 1.106 7.168 1.00 0.28 O ATOM 274 CB ALA A 26 3.868 1.926 8.481 1.00 0.23 C ATOM 0 H ALA A 26 5.135 -0.153 8.042 1.00 0.17 H new ATOM 0 HA ALA A 26 2.601 0.419 9.317 1.00 0.19 H new ATOM 0 HB1 ALA A 26 3.100 2.699 8.500 1.00 0.23 H new ATOM 0 HB2 ALA A 26 4.480 1.999 9.380 1.00 0.23 H new ATOM 0 HB3 ALA A 26 4.498 2.062 7.602 1.00 0.23 H new ATOM 280 N LEU A 27 2.704 -0.307 6.232 1.00 0.15 N ATOM 281 CA LEU A 27 1.882 -0.556 5.057 1.00 0.15 C ATOM 282 C LEU A 27 1.190 -1.914 5.160 1.00 0.17 C ATOM 283 O LEU A 27 0.220 -2.179 4.454 1.00 0.21 O ATOM 284 CB LEU A 27 2.738 -0.480 3.787 1.00 0.15 C ATOM 285 CG LEU A 27 2.790 0.891 3.085 1.00 0.15 C ATOM 286 CD1 LEU A 27 2.730 2.044 4.078 1.00 0.15 C ATOM 287 CD2 LEU A 27 4.059 0.997 2.258 1.00 0.16 C ATOM 0 H LEU A 27 3.609 -0.778 6.220 1.00 0.15 H new ATOM 0 HA LEU A 27 1.111 0.213 5.003 1.00 0.15 H new ATOM 0 HB2 LEU A 27 3.756 -0.774 4.042 1.00 0.15 H new ATOM 0 HB3 LEU A 27 2.362 -1.216 3.076 1.00 0.15 H new ATOM 0 HG LEU A 27 1.915 0.963 2.439 1.00 0.15 H new ATOM 0 HD11 LEU A 27 2.769 2.991 3.539 1.00 0.15 H new ATOM 0 HD12 LEU A 27 1.801 1.988 4.645 1.00 0.15 H new ATOM 0 HD13 LEU A 27 3.577 1.980 4.761 1.00 0.15 H new ATOM 0 HD21 LEU A 27 4.091 1.968 1.764 1.00 0.16 H new ATOM 0 HD22 LEU A 27 4.927 0.892 2.909 1.00 0.16 H new ATOM 0 HD23 LEU A 27 4.071 0.207 1.507 1.00 0.16 H new ATOM 299 N THR A 28 1.682 -2.765 6.050 1.00 0.17 N ATOM 300 CA THR A 28 1.082 -4.073 6.266 1.00 0.15 C ATOM 301 C THR A 28 -0.137 -3.955 7.180 1.00 0.17 C ATOM 302 O THR A 28 -0.010 -3.777 8.394 1.00 0.19 O ATOM 303 CB THR A 28 2.105 -5.054 6.870 1.00 0.17 C ATOM 304 OG1 THR A 28 3.229 -5.179 5.991 1.00 0.20 O ATOM 305 CG2 THR A 28 1.492 -6.425 7.101 1.00 0.20 C ATOM 0 H THR A 28 2.496 -2.572 6.634 1.00 0.17 H new ATOM 0 HA THR A 28 0.762 -4.463 5.300 1.00 0.15 H new ATOM 0 HB THR A 28 2.424 -4.656 7.833 1.00 0.17 H new ATOM 0 HG1 THR A 28 3.675 -4.311 5.905 1.00 0.20 H new ATOM 0 HG21 THR A 28 2.242 -7.091 7.528 1.00 0.20 H new ATOM 0 HG22 THR A 28 0.651 -6.336 7.789 1.00 0.20 H new ATOM 0 HG23 THR A 28 1.143 -6.832 6.152 1.00 0.20 H new ATOM 313 N LYS A 29 -1.313 -4.082 6.585 1.00 0.17 N ATOM 314 CA LYS A 29 -2.576 -3.820 7.267 1.00 0.22 C ATOM 315 C LYS A 29 -3.668 -4.708 6.707 1.00 0.19 C ATOM 316 O LYS A 29 -3.485 -5.363 5.682 1.00 0.18 O ATOM 317 CB LYS A 29 -3.023 -2.365 7.055 1.00 0.31 C ATOM 318 CG LYS A 29 -2.628 -1.382 8.147 1.00 0.61 C ATOM 319 CD LYS A 29 -1.158 -1.028 8.101 1.00 0.72 C ATOM 320 CE LYS A 29 -0.849 0.155 8.999 1.00 0.44 C ATOM 321 NZ LYS A 29 -1.257 -0.085 10.407 1.00 0.79 N ATOM 0 H LYS A 29 -1.421 -4.370 5.613 1.00 0.17 H new ATOM 0 HA LYS A 29 -2.417 -4.017 8.327 1.00 0.22 H new ATOM 0 HB2 LYS A 29 -2.610 -2.013 6.110 1.00 0.31 H new ATOM 0 HB3 LYS A 29 -4.108 -2.350 6.955 1.00 0.31 H new ATOM 0 HG2 LYS A 29 -3.221 -0.473 8.046 1.00 0.61 H new ATOM 0 HG3 LYS A 29 -2.865 -1.810 9.121 1.00 0.61 H new ATOM 0 HD2 LYS A 29 -0.565 -1.888 8.411 1.00 0.72 H new ATOM 0 HD3 LYS A 29 -0.870 -0.795 7.076 1.00 0.72 H new ATOM 0 HE2 LYS A 29 0.220 0.366 8.964 1.00 0.44 H new ATOM 0 HE3 LYS A 29 -1.361 1.040 8.620 1.00 0.44 H new ATOM 0 HZ1 LYS A 29 -0.672 0.495 11.042 1.00 0.79 H new ATOM 0 HZ2 LYS A 29 -2.257 0.173 10.527 1.00 0.79 H new ATOM 0 HZ3 LYS A 29 -1.128 -1.091 10.639 1.00 0.79 H new ATOM 335 N VAL A 30 -4.801 -4.717 7.378 1.00 0.22 N ATOM 336 CA VAL A 30 -6.020 -5.240 6.795 1.00 0.22 C ATOM 337 C VAL A 30 -6.926 -4.066 6.457 1.00 0.19 C ATOM 338 O VAL A 30 -7.170 -3.197 7.298 1.00 0.23 O ATOM 339 CB VAL A 30 -6.749 -6.245 7.718 1.00 0.30 C ATOM 340 CG1 VAL A 30 -5.941 -7.526 7.849 1.00 0.81 C ATOM 341 CG2 VAL A 30 -7.019 -5.647 9.091 1.00 1.03 C ATOM 0 H VAL A 30 -4.904 -4.367 8.331 1.00 0.22 H new ATOM 0 HA VAL A 30 -5.759 -5.799 5.896 1.00 0.22 H new ATOM 0 HB VAL A 30 -7.711 -6.478 7.261 1.00 0.30 H new ATOM 0 HG11 VAL A 30 -6.467 -8.223 8.501 1.00 0.81 H new ATOM 0 HG12 VAL A 30 -5.812 -7.977 6.865 1.00 0.81 H new ATOM 0 HG13 VAL A 30 -4.964 -7.298 8.275 1.00 0.81 H new ATOM 0 HG21 VAL A 30 -7.532 -6.381 9.713 1.00 1.03 H new ATOM 0 HG22 VAL A 30 -6.074 -5.371 9.560 1.00 1.03 H new ATOM 0 HG23 VAL A 30 -7.644 -4.760 8.985 1.00 1.03 H new ATOM 351 N VAL A 31 -7.377 -4.009 5.219 1.00 0.16 N ATOM 352 CA VAL A 31 -8.144 -2.874 4.737 1.00 0.15 C ATOM 353 C VAL A 31 -9.110 -3.322 3.649 1.00 0.15 C ATOM 354 O VAL A 31 -8.887 -4.325 2.993 1.00 0.18 O ATOM 355 CB VAL A 31 -7.198 -1.758 4.220 1.00 0.18 C ATOM 356 CG1 VAL A 31 -7.522 -1.342 2.794 1.00 0.18 C ATOM 357 CG2 VAL A 31 -7.241 -0.556 5.149 1.00 0.26 C ATOM 0 H VAL A 31 -7.225 -4.740 4.524 1.00 0.16 H new ATOM 0 HA VAL A 31 -8.725 -2.463 5.563 1.00 0.15 H new ATOM 0 HB VAL A 31 -6.188 -2.168 4.212 1.00 0.18 H new ATOM 0 HG11 VAL A 31 -6.833 -0.559 2.478 1.00 0.18 H new ATOM 0 HG12 VAL A 31 -7.422 -2.202 2.132 1.00 0.18 H new ATOM 0 HG13 VAL A 31 -8.544 -0.966 2.748 1.00 0.18 H new ATOM 0 HG21 VAL A 31 -6.572 0.218 4.773 1.00 0.26 H new ATOM 0 HG22 VAL A 31 -8.258 -0.167 5.194 1.00 0.26 H new ATOM 0 HG23 VAL A 31 -6.923 -0.856 6.148 1.00 0.26 H new ATOM 367 N LYS A 32 -10.176 -2.582 3.460 1.00 0.14 N ATOM 368 CA LYS A 32 -11.207 -2.975 2.523 1.00 0.13 C ATOM 369 C LYS A 32 -11.140 -2.110 1.273 1.00 0.12 C ATOM 370 O LYS A 32 -11.258 -0.886 1.344 1.00 0.14 O ATOM 371 CB LYS A 32 -12.575 -2.874 3.203 1.00 0.14 C ATOM 372 CG LYS A 32 -13.679 -3.648 2.502 1.00 0.15 C ATOM 373 CD LYS A 32 -14.349 -2.823 1.418 1.00 0.26 C ATOM 374 CE LYS A 32 -15.594 -3.510 0.885 1.00 0.28 C ATOM 375 NZ LYS A 32 -16.623 -3.695 1.941 1.00 0.67 N ATOM 0 H LYS A 32 -10.355 -1.702 3.943 1.00 0.14 H new ATOM 0 HA LYS A 32 -11.050 -4.009 2.215 1.00 0.13 H new ATOM 0 HB2 LYS A 32 -12.487 -3.237 4.227 1.00 0.14 H new ATOM 0 HB3 LYS A 32 -12.863 -1.824 3.260 1.00 0.14 H new ATOM 0 HG2 LYS A 32 -13.264 -4.555 2.063 1.00 0.15 H new ATOM 0 HG3 LYS A 32 -14.424 -3.960 3.234 1.00 0.15 H new ATOM 0 HD2 LYS A 32 -14.615 -1.844 1.817 1.00 0.26 H new ATOM 0 HD3 LYS A 32 -13.647 -2.655 0.601 1.00 0.26 H new ATOM 0 HE2 LYS A 32 -16.013 -2.920 0.070 1.00 0.28 H new ATOM 0 HE3 LYS A 32 -15.323 -4.480 0.469 1.00 0.28 H new ATOM 0 HZ1 LYS A 32 -17.555 -3.826 1.498 1.00 0.67 H new ATOM 0 HZ2 LYS A 32 -16.389 -4.533 2.510 1.00 0.67 H new ATOM 0 HZ3 LYS A 32 -16.646 -2.855 2.554 1.00 0.67 H new ATOM 389 N LEU A 33 -10.940 -2.756 0.134 1.00 0.12 N ATOM 390 CA LEU A 33 -10.830 -2.050 -1.135 1.00 0.13 C ATOM 391 C LEU A 33 -12.192 -1.872 -1.781 1.00 0.14 C ATOM 392 O LEU A 33 -13.019 -2.781 -1.766 1.00 0.16 O ATOM 393 CB LEU A 33 -9.894 -2.786 -2.094 1.00 0.16 C ATOM 394 CG LEU A 33 -8.409 -2.468 -1.923 1.00 0.18 C ATOM 395 CD1 LEU A 33 -7.570 -3.288 -2.893 1.00 0.21 C ATOM 396 CD2 LEU A 33 -8.164 -0.981 -2.136 1.00 0.18 C ATOM 0 H LEU A 33 -10.850 -3.769 0.062 1.00 0.12 H new ATOM 0 HA LEU A 33 -10.412 -1.066 -0.925 1.00 0.13 H new ATOM 0 HB2 LEU A 33 -10.037 -3.859 -1.965 1.00 0.16 H new ATOM 0 HB3 LEU A 33 -10.185 -2.547 -3.117 1.00 0.16 H new ATOM 0 HG LEU A 33 -8.113 -2.731 -0.908 1.00 0.18 H new ATOM 0 HD11 LEU A 33 -6.516 -3.047 -2.756 1.00 0.21 H new ATOM 0 HD12 LEU A 33 -7.728 -4.350 -2.703 1.00 0.21 H new ATOM 0 HD13 LEU A 33 -7.865 -3.055 -3.916 1.00 0.21 H new ATOM 0 HD21 LEU A 33 -7.103 -0.766 -2.012 1.00 0.18 H new ATOM 0 HD22 LEU A 33 -8.476 -0.701 -3.142 1.00 0.18 H new ATOM 0 HD23 LEU A 33 -8.738 -0.410 -1.407 1.00 0.18 H new ATOM 408 N LYS A 34 -12.420 -0.688 -2.335 1.00 0.15 N ATOM 409 CA LYS A 34 -13.677 -0.383 -3.014 1.00 0.19 C ATOM 410 C LYS A 34 -13.399 0.434 -4.266 1.00 0.21 C ATOM 411 O LYS A 34 -13.058 1.613 -4.174 1.00 0.23 O ATOM 412 CB LYS A 34 -14.616 0.425 -2.111 1.00 0.22 C ATOM 413 CG LYS A 34 -14.651 -0.034 -0.664 1.00 0.23 C ATOM 414 CD LYS A 34 -15.676 0.748 0.148 1.00 0.47 C ATOM 415 CE LYS A 34 -15.454 2.253 0.060 1.00 0.45 C ATOM 416 NZ LYS A 34 -16.471 3.010 0.838 1.00 0.84 N ATOM 0 H LYS A 34 -11.749 0.081 -2.328 1.00 0.15 H new ATOM 0 HA LYS A 34 -14.154 -1.330 -3.269 1.00 0.19 H new ATOM 0 HB2 LYS A 34 -14.314 1.472 -2.139 1.00 0.22 H new ATOM 0 HB3 LYS A 34 -15.625 0.373 -2.519 1.00 0.22 H new ATOM 0 HG2 LYS A 34 -14.889 -1.097 -0.625 1.00 0.23 H new ATOM 0 HG3 LYS A 34 -13.664 0.088 -0.219 1.00 0.23 H new ATOM 0 HD2 LYS A 34 -16.678 0.509 -0.208 1.00 0.47 H new ATOM 0 HD3 LYS A 34 -15.626 0.435 1.191 1.00 0.47 H new ATOM 0 HE2 LYS A 34 -14.458 2.495 0.431 1.00 0.45 H new ATOM 0 HE3 LYS A 34 -15.489 2.565 -0.984 1.00 0.45 H new ATOM 0 HZ1 LYS A 34 -16.285 4.030 0.753 1.00 0.84 H new ATOM 0 HZ2 LYS A 34 -17.419 2.799 0.467 1.00 0.84 H new ATOM 0 HZ3 LYS A 34 -16.420 2.732 1.839 1.00 0.84 H new ATOM 430 N THR A 35 -13.523 -0.180 -5.429 1.00 0.23 N ATOM 431 CA THR A 35 -13.264 0.524 -6.675 1.00 0.26 C ATOM 432 C THR A 35 -13.732 -0.301 -7.883 1.00 0.28 C ATOM 433 O THR A 35 -14.442 -1.295 -7.714 1.00 0.28 O ATOM 434 CB THR A 35 -11.760 0.897 -6.774 1.00 0.27 C ATOM 435 OG1 THR A 35 -11.456 1.519 -8.026 1.00 0.34 O ATOM 436 CG2 THR A 35 -10.866 -0.318 -6.568 1.00 0.27 C ATOM 0 H THR A 35 -13.799 -1.156 -5.538 1.00 0.23 H new ATOM 0 HA THR A 35 -13.840 1.450 -6.683 1.00 0.26 H new ATOM 0 HB THR A 35 -11.560 1.611 -5.975 1.00 0.27 H new ATOM 0 HG1 THR A 35 -10.685 2.114 -7.917 1.00 0.34 H new ATOM 0 HG21 THR A 35 -9.821 -0.018 -6.644 1.00 0.27 H new ATOM 0 HG22 THR A 35 -11.051 -0.742 -5.581 1.00 0.27 H new ATOM 0 HG23 THR A 35 -11.086 -1.065 -7.331 1.00 0.27 H new ATOM 444 N HIS A 36 -13.338 0.113 -9.089 1.00 0.33 N ATOM 445 CA HIS A 36 -13.658 -0.611 -10.322 1.00 0.38 C ATOM 446 C HIS A 36 -13.136 -2.045 -10.252 1.00 0.34 C ATOM 447 O HIS A 36 -13.657 -2.947 -10.908 1.00 0.37 O ATOM 448 CB HIS A 36 -13.047 0.120 -11.526 1.00 0.48 C ATOM 449 CG HIS A 36 -13.185 -0.610 -12.830 1.00 1.31 C ATOM 450 ND1 HIS A 36 -12.102 -1.037 -13.566 1.00 2.07 N ATOM 451 CD2 HIS A 36 -14.282 -0.990 -13.525 1.00 2.25 C ATOM 452 CE1 HIS A 36 -12.527 -1.651 -14.653 1.00 2.94 C ATOM 453 NE2 HIS A 36 -13.845 -1.637 -14.654 1.00 3.02 N ATOM 0 H HIS A 36 -12.788 0.959 -9.239 1.00 0.33 H new ATOM 0 HA HIS A 36 -14.741 -0.647 -10.439 1.00 0.38 H new ATOM 0 HB2 HIS A 36 -13.519 1.098 -11.619 1.00 0.48 H new ATOM 0 HB3 HIS A 36 -11.989 0.294 -11.331 1.00 0.48 H new ATOM 0 HD2 HIS A 36 -15.310 -0.817 -13.244 1.00 2.25 H new ATOM 0 HE1 HIS A 36 -11.900 -2.091 -15.414 1.00 2.94 H new ATOM 0 HE2 HIS A 36 -14.442 -2.041 -15.375 1.00 3.02 H new ATOM 462 N LEU A 37 -12.118 -2.235 -9.433 1.00 0.32 N ATOM 463 CA LEU A 37 -11.535 -3.544 -9.199 1.00 0.33 C ATOM 464 C LEU A 37 -12.561 -4.456 -8.534 1.00 0.31 C ATOM 465 O LEU A 37 -12.928 -5.493 -9.089 1.00 0.36 O ATOM 466 CB LEU A 37 -10.304 -3.378 -8.303 1.00 0.38 C ATOM 467 CG LEU A 37 -9.579 -4.658 -7.890 1.00 0.46 C ATOM 468 CD1 LEU A 37 -8.955 -5.345 -9.096 1.00 1.00 C ATOM 469 CD2 LEU A 37 -8.523 -4.326 -6.844 1.00 0.32 C ATOM 0 H LEU A 37 -11.670 -1.483 -8.909 1.00 0.32 H new ATOM 0 HA LEU A 37 -11.238 -3.997 -10.145 1.00 0.33 H new ATOM 0 HB2 LEU A 37 -9.591 -2.735 -8.819 1.00 0.38 H new ATOM 0 HB3 LEU A 37 -10.610 -2.853 -7.398 1.00 0.38 H new ATOM 0 HG LEU A 37 -10.301 -5.351 -7.459 1.00 0.46 H new ATOM 0 HD11 LEU A 37 -8.445 -6.253 -8.774 1.00 1.00 H new ATOM 0 HD12 LEU A 37 -9.735 -5.601 -9.813 1.00 1.00 H new ATOM 0 HD13 LEU A 37 -8.237 -4.673 -9.566 1.00 1.00 H new ATOM 0 HD21 LEU A 37 -8.005 -5.238 -6.548 1.00 0.32 H new ATOM 0 HD22 LEU A 37 -7.805 -3.620 -7.263 1.00 0.32 H new ATOM 0 HD23 LEU A 37 -9.002 -3.882 -5.972 1.00 0.32 H new ATOM 481 N PHE A 38 -13.042 -4.039 -7.364 1.00 0.26 N ATOM 482 CA PHE A 38 -14.045 -4.786 -6.609 1.00 0.26 C ATOM 483 C PHE A 38 -14.284 -4.098 -5.271 1.00 0.23 C ATOM 484 O PHE A 38 -13.790 -2.990 -5.048 1.00 0.22 O ATOM 485 CB PHE A 38 -13.598 -6.243 -6.388 1.00 0.27 C ATOM 486 CG PHE A 38 -12.499 -6.438 -5.370 1.00 0.32 C ATOM 487 CD1 PHE A 38 -11.575 -5.433 -5.158 1.00 0.73 C ATOM 488 CD2 PHE A 38 -12.382 -7.613 -4.640 1.00 0.67 C ATOM 489 CE1 PHE A 38 -10.558 -5.591 -4.242 1.00 0.82 C ATOM 490 CE2 PHE A 38 -11.366 -7.774 -3.724 1.00 0.71 C ATOM 491 CZ PHE A 38 -10.510 -6.827 -3.477 1.00 0.55 C ATOM 0 H PHE A 38 -12.747 -3.173 -6.913 1.00 0.26 H new ATOM 0 HA PHE A 38 -14.973 -4.805 -7.180 1.00 0.26 H new ATOM 0 HB2 PHE A 38 -14.464 -6.828 -6.078 1.00 0.27 H new ATOM 0 HB3 PHE A 38 -13.263 -6.651 -7.342 1.00 0.27 H new ATOM 0 HD1 PHE A 38 -11.651 -4.512 -5.717 1.00 0.73 H new ATOM 0 HD2 PHE A 38 -13.095 -8.410 -4.792 1.00 0.67 H new ATOM 0 HE1 PHE A 38 -9.817 -4.819 -4.096 1.00 0.82 H new ATOM 0 HE2 PHE A 38 -11.278 -8.712 -3.197 1.00 0.71 H new ATOM 0 HZ PHE A 38 -9.765 -6.958 -2.706 1.00 0.55 H new ATOM 501 N SER A 39 -15.030 -4.745 -4.387 1.00 0.23 N ATOM 502 CA SER A 39 -15.198 -4.245 -3.038 1.00 0.22 C ATOM 503 C SER A 39 -15.193 -5.403 -2.043 1.00 0.22 C ATOM 504 O SER A 39 -16.217 -6.055 -1.832 1.00 0.28 O ATOM 505 CB SER A 39 -16.500 -3.449 -2.938 1.00 0.27 C ATOM 506 OG SER A 39 -17.570 -4.138 -3.568 1.00 0.34 O ATOM 0 H SER A 39 -15.526 -5.615 -4.583 1.00 0.23 H new ATOM 0 HA SER A 39 -14.367 -3.583 -2.795 1.00 0.22 H new ATOM 0 HB2 SER A 39 -16.743 -3.274 -1.890 1.00 0.27 H new ATOM 0 HB3 SER A 39 -16.369 -2.472 -3.403 1.00 0.27 H new ATOM 0 HG SER A 39 -17.572 -5.074 -3.278 1.00 0.34 H new ATOM 512 N GLU A 40 -14.040 -5.622 -1.414 1.00 0.20 N ATOM 513 CA GLU A 40 -13.856 -6.700 -0.441 1.00 0.24 C ATOM 514 C GLU A 40 -12.699 -6.350 0.486 1.00 0.18 C ATOM 515 O GLU A 40 -11.942 -5.415 0.215 1.00 0.15 O ATOM 516 CB GLU A 40 -13.560 -8.046 -1.124 1.00 0.33 C ATOM 517 CG GLU A 40 -14.656 -8.532 -2.059 1.00 0.47 C ATOM 518 CD GLU A 40 -14.493 -9.980 -2.463 1.00 1.15 C ATOM 519 OE1 GLU A 40 -15.036 -10.859 -1.765 1.00 1.45 O ATOM 520 OE2 GLU A 40 -13.836 -10.249 -3.490 1.00 2.08 O ATOM 0 H GLU A 40 -13.205 -5.056 -1.564 1.00 0.20 H new ATOM 0 HA GLU A 40 -14.784 -6.802 0.121 1.00 0.24 H new ATOM 0 HB2 GLU A 40 -12.632 -7.957 -1.688 1.00 0.33 H new ATOM 0 HB3 GLU A 40 -13.394 -8.801 -0.355 1.00 0.33 H new ATOM 0 HG2 GLU A 40 -15.623 -8.403 -1.573 1.00 0.47 H new ATOM 0 HG3 GLU A 40 -14.664 -7.910 -2.954 1.00 0.47 H new ATOM 527 N THR A 41 -12.563 -7.096 1.570 1.00 0.20 N ATOM 528 CA THR A 41 -11.507 -6.853 2.539 1.00 0.19 C ATOM 529 C THR A 41 -10.202 -7.503 2.086 1.00 0.18 C ATOM 530 O THR A 41 -10.165 -8.695 1.773 1.00 0.23 O ATOM 531 CB THR A 41 -11.899 -7.394 3.921 1.00 0.25 C ATOM 532 OG1 THR A 41 -13.237 -6.985 4.239 1.00 0.32 O ATOM 533 CG2 THR A 41 -10.943 -6.894 4.997 1.00 0.27 C ATOM 0 H THR A 41 -13.174 -7.879 1.802 1.00 0.20 H new ATOM 0 HA THR A 41 -11.362 -5.775 2.611 1.00 0.19 H new ATOM 0 HB THR A 41 -11.843 -8.482 3.890 1.00 0.25 H new ATOM 0 HG1 THR A 41 -13.485 -7.333 5.121 1.00 0.32 H new ATOM 0 HG21 THR A 41 -11.245 -7.293 5.966 1.00 0.27 H new ATOM 0 HG22 THR A 41 -9.931 -7.226 4.767 1.00 0.27 H new ATOM 0 HG23 THR A 41 -10.969 -5.805 5.029 1.00 0.27 H new ATOM 541 N VAL A 42 -9.139 -6.718 2.046 1.00 0.16 N ATOM 542 CA VAL A 42 -7.855 -7.186 1.560 1.00 0.16 C ATOM 543 C VAL A 42 -6.769 -6.936 2.601 1.00 0.16 C ATOM 544 O VAL A 42 -6.930 -6.107 3.495 1.00 0.23 O ATOM 545 CB VAL A 42 -7.473 -6.474 0.239 1.00 0.15 C ATOM 546 CG1 VAL A 42 -8.658 -6.454 -0.713 1.00 0.16 C ATOM 547 CG2 VAL A 42 -6.974 -5.056 0.491 1.00 0.15 C ATOM 0 H VAL A 42 -9.142 -5.744 2.348 1.00 0.16 H new ATOM 0 HA VAL A 42 -7.938 -8.257 1.374 1.00 0.16 H new ATOM 0 HB VAL A 42 -6.659 -7.037 -0.218 1.00 0.15 H new ATOM 0 HG11 VAL A 42 -8.374 -5.950 -1.637 1.00 0.16 H new ATOM 0 HG12 VAL A 42 -8.963 -7.476 -0.936 1.00 0.16 H new ATOM 0 HG13 VAL A 42 -9.488 -5.921 -0.250 1.00 0.16 H new ATOM 0 HG21 VAL A 42 -6.715 -4.587 -0.458 1.00 0.15 H new ATOM 0 HG22 VAL A 42 -7.757 -4.476 0.980 1.00 0.15 H new ATOM 0 HG23 VAL A 42 -6.093 -5.089 1.131 1.00 0.15 H new ATOM 557 N LYS A 43 -5.678 -7.667 2.502 1.00 0.13 N ATOM 558 CA LYS A 43 -4.524 -7.394 3.337 1.00 0.14 C ATOM 559 C LYS A 43 -3.485 -6.640 2.525 1.00 0.13 C ATOM 560 O LYS A 43 -3.000 -7.142 1.518 1.00 0.15 O ATOM 561 CB LYS A 43 -3.940 -8.690 3.902 1.00 0.17 C ATOM 562 CG LYS A 43 -2.731 -8.468 4.797 1.00 0.26 C ATOM 563 CD LYS A 43 -2.473 -9.664 5.697 1.00 0.34 C ATOM 564 CE LYS A 43 -2.053 -10.900 4.915 1.00 0.89 C ATOM 565 NZ LYS A 43 -0.662 -10.794 4.407 1.00 1.61 N ATOM 0 H LYS A 43 -5.565 -8.449 1.857 1.00 0.13 H new ATOM 0 HA LYS A 43 -4.832 -6.779 4.182 1.00 0.14 H new ATOM 0 HB2 LYS A 43 -4.712 -9.211 4.469 1.00 0.17 H new ATOM 0 HB3 LYS A 43 -3.656 -9.342 3.076 1.00 0.17 H new ATOM 0 HG2 LYS A 43 -1.852 -8.279 4.181 1.00 0.26 H new ATOM 0 HG3 LYS A 43 -2.889 -7.579 5.408 1.00 0.26 H new ATOM 0 HD2 LYS A 43 -1.695 -9.412 6.417 1.00 0.34 H new ATOM 0 HD3 LYS A 43 -3.375 -9.887 6.267 1.00 0.34 H new ATOM 0 HE2 LYS A 43 -2.139 -11.779 5.554 1.00 0.89 H new ATOM 0 HE3 LYS A 43 -2.734 -11.047 4.077 1.00 0.89 H new ATOM 0 HZ1 LYS A 43 -0.677 -10.688 3.373 1.00 1.61 H new ATOM 0 HZ2 LYS A 43 -0.199 -9.966 4.833 1.00 1.61 H new ATOM 0 HZ3 LYS A 43 -0.134 -11.654 4.659 1.00 1.61 H new ATOM 579 N VAL A 44 -3.142 -5.445 2.977 1.00 0.13 N ATOM 580 CA VAL A 44 -2.260 -4.564 2.224 1.00 0.14 C ATOM 581 C VAL A 44 -0.855 -4.615 2.800 1.00 0.15 C ATOM 582 O VAL A 44 -0.675 -4.923 3.979 1.00 0.19 O ATOM 583 CB VAL A 44 -2.761 -3.097 2.238 1.00 0.20 C ATOM 584 CG1 VAL A 44 -2.949 -2.583 0.822 1.00 0.35 C ATOM 585 CG2 VAL A 44 -4.062 -2.962 3.011 1.00 0.25 C ATOM 0 H VAL A 44 -3.462 -5.060 3.866 1.00 0.13 H new ATOM 0 HA VAL A 44 -2.255 -4.915 1.192 1.00 0.14 H new ATOM 0 HB VAL A 44 -2.001 -2.497 2.739 1.00 0.20 H new ATOM 0 HG11 VAL A 44 -3.301 -1.552 0.853 1.00 0.35 H new ATOM 0 HG12 VAL A 44 -1.999 -2.626 0.290 1.00 0.35 H new ATOM 0 HG13 VAL A 44 -3.683 -3.201 0.305 1.00 0.35 H new ATOM 0 HG21 VAL A 44 -4.385 -1.921 3.001 1.00 0.25 H new ATOM 0 HG22 VAL A 44 -4.827 -3.584 2.547 1.00 0.25 H new ATOM 0 HG23 VAL A 44 -3.908 -3.284 4.041 1.00 0.25 H new ATOM 595 N THR A 45 0.131 -4.346 1.956 1.00 0.15 N ATOM 596 CA THR A 45 1.528 -4.393 2.348 1.00 0.16 C ATOM 597 C THR A 45 2.399 -3.959 1.164 1.00 0.13 C ATOM 598 O THR A 45 1.884 -3.503 0.144 1.00 0.14 O ATOM 599 CB THR A 45 1.914 -5.823 2.806 1.00 0.19 C ATOM 600 OG1 THR A 45 3.233 -5.833 3.372 1.00 0.21 O ATOM 601 CG2 THR A 45 1.850 -6.804 1.643 1.00 0.20 C ATOM 0 H THR A 45 -0.018 -4.089 0.980 1.00 0.15 H new ATOM 0 HA THR A 45 1.690 -3.714 3.185 1.00 0.16 H new ATOM 0 HB THR A 45 1.196 -6.133 3.566 1.00 0.19 H new ATOM 0 HG1 THR A 45 3.179 -5.636 4.330 1.00 0.21 H new ATOM 0 HG21 THR A 45 2.125 -7.800 1.991 1.00 0.20 H new ATOM 0 HG22 THR A 45 0.837 -6.827 1.242 1.00 0.20 H new ATOM 0 HG23 THR A 45 2.542 -6.488 0.862 1.00 0.20 H new ATOM 609 N CYS A 46 3.709 -4.088 1.298 1.00 0.15 N ATOM 610 CA CYS A 46 4.619 -3.761 0.211 1.00 0.14 C ATOM 611 C CYS A 46 5.711 -4.817 0.106 1.00 0.15 C ATOM 612 O CYS A 46 5.853 -5.659 0.998 1.00 0.19 O ATOM 613 CB CYS A 46 5.227 -2.367 0.408 1.00 0.16 C ATOM 614 SG CYS A 46 6.164 -2.168 1.938 1.00 0.19 S ATOM 0 H CYS A 46 4.166 -4.417 2.148 1.00 0.15 H new ATOM 0 HA CYS A 46 4.055 -3.750 -0.722 1.00 0.14 H new ATOM 0 HB2 CYS A 46 5.882 -2.148 -0.435 1.00 0.16 H new ATOM 0 HB3 CYS A 46 4.425 -1.629 0.389 1.00 0.16 H new ATOM 0 HG CYS A 46 5.767 -1.094 2.553 1.00 0.19 H new ATOM 620 N SER A 47 6.469 -4.789 -0.985 1.00 0.19 N ATOM 621 CA SER A 47 7.532 -5.762 -1.196 1.00 0.27 C ATOM 622 C SER A 47 8.713 -5.524 -0.250 1.00 0.25 C ATOM 623 O SER A 47 8.709 -4.568 0.532 1.00 0.25 O ATOM 624 CB SER A 47 7.996 -5.729 -2.653 1.00 0.41 C ATOM 625 OG SER A 47 8.400 -4.427 -3.041 1.00 1.15 O ATOM 0 H SER A 47 6.367 -4.105 -1.734 1.00 0.19 H new ATOM 0 HA SER A 47 7.129 -6.750 -0.974 1.00 0.27 H new ATOM 0 HB2 SER A 47 8.825 -6.423 -2.787 1.00 0.41 H new ATOM 0 HB3 SER A 47 7.188 -6.068 -3.301 1.00 0.41 H new ATOM 0 HG SER A 47 8.839 -4.468 -3.916 1.00 1.15 H new ATOM 631 N LYS A 48 9.729 -6.375 -0.333 1.00 0.29 N ATOM 632 CA LYS A 48 10.869 -6.296 0.578 1.00 0.31 C ATOM 633 C LYS A 48 11.709 -5.058 0.312 1.00 0.27 C ATOM 634 O LYS A 48 12.280 -4.483 1.233 1.00 0.40 O ATOM 635 CB LYS A 48 11.750 -7.533 0.450 1.00 0.39 C ATOM 636 CG LYS A 48 11.081 -8.810 0.906 1.00 0.56 C ATOM 637 CD LYS A 48 11.947 -10.014 0.593 1.00 0.74 C ATOM 638 CE LYS A 48 11.305 -11.298 1.073 1.00 1.36 C ATOM 639 NZ LYS A 48 9.922 -11.457 0.557 1.00 2.10 N ATOM 0 H LYS A 48 9.789 -7.127 -1.020 1.00 0.29 H new ATOM 0 HA LYS A 48 10.467 -6.238 1.589 1.00 0.31 H new ATOM 0 HB2 LYS A 48 12.054 -7.645 -0.591 1.00 0.39 H new ATOM 0 HB3 LYS A 48 12.659 -7.382 1.033 1.00 0.39 H new ATOM 0 HG2 LYS A 48 10.890 -8.763 1.978 1.00 0.56 H new ATOM 0 HG3 LYS A 48 10.114 -8.915 0.414 1.00 0.56 H new ATOM 0 HD2 LYS A 48 12.118 -10.071 -0.482 1.00 0.74 H new ATOM 0 HD3 LYS A 48 12.922 -9.895 1.065 1.00 0.74 H new ATOM 0 HE2 LYS A 48 11.910 -12.147 0.754 1.00 1.36 H new ATOM 0 HE3 LYS A 48 11.289 -11.309 2.163 1.00 1.36 H new ATOM 0 HZ1 LYS A 48 9.594 -12.428 0.736 1.00 2.10 H new ATOM 0 HZ2 LYS A 48 9.292 -10.784 1.039 1.00 2.10 H new ATOM 0 HZ3 LYS A 48 9.910 -11.270 -0.466 1.00 2.10 H new ATOM 653 N ASP A 49 11.794 -4.662 -0.951 1.00 0.27 N ATOM 654 CA ASP A 49 12.556 -3.477 -1.330 1.00 0.27 C ATOM 655 C ASP A 49 11.668 -2.248 -1.315 1.00 0.25 C ATOM 656 O ASP A 49 12.119 -1.142 -1.617 1.00 0.28 O ATOM 657 CB ASP A 49 13.167 -3.632 -2.721 1.00 0.36 C ATOM 658 CG ASP A 49 14.267 -4.664 -2.775 1.00 0.48 C ATOM 659 OD1 ASP A 49 15.445 -4.289 -2.606 1.00 0.71 O ATOM 660 OD2 ASP A 49 13.962 -5.855 -3.009 1.00 0.56 O ATOM 0 H ASP A 49 11.345 -5.143 -1.731 1.00 0.27 H new ATOM 0 HA ASP A 49 13.359 -3.360 -0.602 1.00 0.27 H new ATOM 0 HB2 ASP A 49 12.383 -3.908 -3.426 1.00 0.36 H new ATOM 0 HB3 ASP A 49 13.564 -2.670 -3.046 1.00 0.36 H new ATOM 665 N GLY A 50 10.401 -2.453 -0.976 1.00 0.23 N ATOM 666 CA GLY A 50 9.446 -1.361 -0.952 1.00 0.25 C ATOM 667 C GLY A 50 9.108 -0.862 -2.340 1.00 0.28 C ATOM 668 O GLY A 50 8.458 0.161 -2.491 1.00 0.43 O ATOM 0 H GLY A 50 10.016 -3.361 -0.716 1.00 0.23 H new ATOM 0 HA2 GLY A 50 8.534 -1.690 -0.455 1.00 0.25 H new ATOM 0 HA3 GLY A 50 9.852 -0.539 -0.362 1.00 0.25 H new ATOM 672 N GLU A 51 9.553 -1.590 -3.355 1.00 0.25 N ATOM 673 CA GLU A 51 9.358 -1.178 -4.738 1.00 0.30 C ATOM 674 C GLU A 51 7.910 -1.359 -5.161 1.00 0.22 C ATOM 675 O GLU A 51 7.409 -0.632 -6.017 1.00 0.27 O ATOM 676 CB GLU A 51 10.251 -1.996 -5.665 1.00 0.40 C ATOM 677 CG GLU A 51 11.736 -1.839 -5.401 1.00 0.74 C ATOM 678 CD GLU A 51 12.564 -2.735 -6.293 1.00 1.30 C ATOM 679 OE1 GLU A 51 12.447 -3.972 -6.181 1.00 1.80 O ATOM 680 OE2 GLU A 51 13.362 -2.203 -7.093 1.00 1.99 O ATOM 0 H GLU A 51 10.053 -2.472 -3.246 1.00 0.25 H new ATOM 0 HA GLU A 51 9.621 -0.123 -4.809 1.00 0.30 H new ATOM 0 HB2 GLU A 51 9.986 -3.049 -5.569 1.00 0.40 H new ATOM 0 HB3 GLU A 51 10.045 -1.708 -6.696 1.00 0.40 H new ATOM 0 HG2 GLU A 51 12.025 -0.800 -5.560 1.00 0.74 H new ATOM 0 HG3 GLU A 51 11.946 -2.072 -4.357 1.00 0.74 H new ATOM 687 N GLU A 52 7.251 -2.338 -4.563 1.00 0.24 N ATOM 688 CA GLU A 52 5.887 -2.677 -4.929 1.00 0.21 C ATOM 689 C GLU A 52 4.950 -2.560 -3.745 1.00 0.18 C ATOM 690 O GLU A 52 5.331 -2.843 -2.613 1.00 0.21 O ATOM 691 CB GLU A 52 5.803 -4.109 -5.452 1.00 0.27 C ATOM 692 CG GLU A 52 6.188 -4.281 -6.914 1.00 0.56 C ATOM 693 CD GLU A 52 7.672 -4.096 -7.167 1.00 0.97 C ATOM 694 OE1 GLU A 52 8.481 -4.825 -6.547 1.00 1.29 O ATOM 695 OE2 GLU A 52 8.037 -3.243 -7.999 1.00 1.49 O ATOM 0 H GLU A 52 7.642 -2.914 -3.818 1.00 0.24 H new ATOM 0 HA GLU A 52 5.589 -1.972 -5.705 1.00 0.21 H new ATOM 0 HB2 GLU A 52 6.451 -4.741 -4.844 1.00 0.27 H new ATOM 0 HB3 GLU A 52 4.784 -4.471 -5.315 1.00 0.27 H new ATOM 0 HG2 GLU A 52 5.891 -5.275 -7.247 1.00 0.56 H new ATOM 0 HG3 GLU A 52 5.631 -3.563 -7.516 1.00 0.56 H new ATOM 702 N VAL A 53 3.728 -2.152 -4.025 1.00 0.16 N ATOM 703 CA VAL A 53 2.654 -2.233 -3.052 1.00 0.16 C ATOM 704 C VAL A 53 1.761 -3.396 -3.431 1.00 0.18 C ATOM 705 O VAL A 53 1.213 -3.421 -4.530 1.00 0.34 O ATOM 706 CB VAL A 53 1.807 -0.946 -3.000 1.00 0.17 C ATOM 707 CG1 VAL A 53 0.740 -1.047 -1.916 1.00 0.20 C ATOM 708 CG2 VAL A 53 2.686 0.269 -2.779 1.00 0.21 C ATOM 0 H VAL A 53 3.452 -1.758 -4.925 1.00 0.16 H new ATOM 0 HA VAL A 53 3.098 -2.369 -2.066 1.00 0.16 H new ATOM 0 HB VAL A 53 1.306 -0.830 -3.961 1.00 0.17 H new ATOM 0 HG11 VAL A 53 0.153 -0.128 -1.896 1.00 0.20 H new ATOM 0 HG12 VAL A 53 0.084 -1.892 -2.128 1.00 0.20 H new ATOM 0 HG13 VAL A 53 1.218 -1.193 -0.947 1.00 0.20 H new ATOM 0 HG21 VAL A 53 2.066 1.165 -2.746 1.00 0.21 H new ATOM 0 HG22 VAL A 53 3.222 0.163 -1.836 1.00 0.21 H new ATOM 0 HG23 VAL A 53 3.402 0.353 -3.596 1.00 0.21 H new ATOM 718 N GLN A 54 1.625 -4.356 -2.539 1.00 0.16 N ATOM 719 CA GLN A 54 0.897 -5.573 -2.851 1.00 0.16 C ATOM 720 C GLN A 54 -0.189 -5.834 -1.821 1.00 0.16 C ATOM 721 O GLN A 54 -0.158 -5.290 -0.716 1.00 0.24 O ATOM 722 CB GLN A 54 1.861 -6.760 -2.929 1.00 0.29 C ATOM 723 CG GLN A 54 2.716 -6.934 -1.687 1.00 0.68 C ATOM 724 CD GLN A 54 3.659 -8.115 -1.781 1.00 1.17 C ATOM 725 OE1 GLN A 54 3.325 -9.226 -1.376 1.00 2.12 O ATOM 726 NE2 GLN A 54 4.841 -7.883 -2.330 1.00 0.88 N ATOM 0 H GLN A 54 2.007 -4.319 -1.594 1.00 0.16 H new ATOM 0 HA GLN A 54 0.417 -5.447 -3.822 1.00 0.16 H new ATOM 0 HB2 GLN A 54 1.288 -7.672 -3.095 1.00 0.29 H new ATOM 0 HB3 GLN A 54 2.513 -6.631 -3.793 1.00 0.29 H new ATOM 0 HG2 GLN A 54 3.295 -6.026 -1.521 1.00 0.68 H new ATOM 0 HG3 GLN A 54 2.067 -7.062 -0.820 1.00 0.68 H new ATOM 0 HE21 GLN A 54 5.078 -6.945 -2.653 1.00 0.88 H new ATOM 0 HE22 GLN A 54 5.515 -8.642 -2.430 1.00 0.88 H new ATOM 735 N TRP A 55 -1.152 -6.657 -2.188 1.00 0.14 N ATOM 736 CA TRP A 55 -2.264 -6.965 -1.309 1.00 0.16 C ATOM 737 C TRP A 55 -2.745 -8.389 -1.510 1.00 0.17 C ATOM 738 O TRP A 55 -2.477 -9.018 -2.535 1.00 0.18 O ATOM 739 CB TRP A 55 -3.429 -5.992 -1.530 1.00 0.18 C ATOM 740 CG TRP A 55 -3.735 -5.737 -2.973 1.00 0.18 C ATOM 741 CD1 TRP A 55 -4.508 -6.495 -3.804 1.00 0.22 C ATOM 742 CD2 TRP A 55 -3.265 -4.637 -3.753 1.00 0.19 C ATOM 743 NE1 TRP A 55 -4.542 -5.931 -5.057 1.00 0.23 N ATOM 744 CE2 TRP A 55 -3.786 -4.787 -5.049 1.00 0.21 C ATOM 745 CE3 TRP A 55 -2.452 -3.538 -3.475 1.00 0.24 C ATOM 746 CZ2 TRP A 55 -3.516 -3.876 -6.068 1.00 0.24 C ATOM 747 CZ3 TRP A 55 -2.187 -2.638 -4.482 1.00 0.29 C ATOM 748 CH2 TRP A 55 -2.716 -2.808 -5.765 1.00 0.28 C ATOM 0 H TRP A 55 -1.187 -7.126 -3.093 1.00 0.14 H new ATOM 0 HA TRP A 55 -1.904 -6.858 -0.286 1.00 0.16 H new ATOM 0 HB2 TRP A 55 -4.320 -6.389 -1.044 1.00 0.18 H new ATOM 0 HB3 TRP A 55 -3.196 -5.044 -1.044 1.00 0.18 H new ATOM 0 HD1 TRP A 55 -5.018 -7.404 -3.519 1.00 0.22 H new ATOM 0 HE1 TRP A 55 -5.047 -6.303 -5.861 1.00 0.23 H new ATOM 0 HE3 TRP A 55 -2.038 -3.396 -2.488 1.00 0.24 H new ATOM 0 HZ2 TRP A 55 -3.923 -4.008 -7.060 1.00 0.24 H new ATOM 0 HZ3 TRP A 55 -1.558 -1.784 -4.277 1.00 0.29 H new ATOM 0 HH2 TRP A 55 -2.489 -2.082 -6.532 1.00 0.28 H new ATOM 759 N PHE A 56 -3.442 -8.890 -0.510 1.00 0.21 N ATOM 760 CA PHE A 56 -4.044 -10.206 -0.564 1.00 0.23 C ATOM 761 C PHE A 56 -5.552 -10.068 -0.413 1.00 0.23 C ATOM 762 O PHE A 56 -6.056 -9.840 0.685 1.00 0.26 O ATOM 763 CB PHE A 56 -3.457 -11.101 0.533 1.00 0.26 C ATOM 764 CG PHE A 56 -1.970 -11.278 0.405 1.00 0.30 C ATOM 765 CD1 PHE A 56 -1.446 -12.323 -0.340 1.00 0.45 C ATOM 766 CD2 PHE A 56 -1.099 -10.414 1.044 1.00 0.37 C ATOM 767 CE1 PHE A 56 -0.081 -12.502 -0.444 1.00 0.53 C ATOM 768 CE2 PHE A 56 0.267 -10.585 0.940 1.00 0.44 C ATOM 769 CZ PHE A 56 0.777 -11.582 0.139 1.00 0.48 C ATOM 0 H PHE A 56 -3.607 -8.394 0.366 1.00 0.21 H new ATOM 0 HA PHE A 56 -3.827 -10.674 -1.524 1.00 0.23 H new ATOM 0 HB2 PHE A 56 -3.685 -10.670 1.508 1.00 0.26 H new ATOM 0 HB3 PHE A 56 -3.939 -12.078 0.496 1.00 0.26 H new ATOM 0 HD1 PHE A 56 -2.114 -13.005 -0.845 1.00 0.45 H new ATOM 0 HD2 PHE A 56 -1.492 -9.597 1.631 1.00 0.37 H new ATOM 0 HE1 PHE A 56 0.316 -13.354 -0.976 1.00 0.53 H new ATOM 0 HE2 PHE A 56 0.936 -9.937 1.487 1.00 0.44 H new ATOM 0 HZ PHE A 56 1.841 -11.647 -0.034 1.00 0.48 H new ATOM 779 N LYS A 57 -6.260 -10.177 -1.528 1.00 0.28 N ATOM 780 CA LYS A 57 -7.697 -9.953 -1.548 1.00 0.29 C ATOM 781 C LYS A 57 -8.428 -11.120 -0.902 1.00 0.35 C ATOM 782 O LYS A 57 -8.136 -12.281 -1.193 1.00 0.54 O ATOM 783 CB LYS A 57 -8.186 -9.745 -2.986 1.00 0.35 C ATOM 784 CG LYS A 57 -7.425 -8.655 -3.735 1.00 0.36 C ATOM 785 CD LYS A 57 -8.083 -8.299 -5.065 1.00 0.55 C ATOM 786 CE LYS A 57 -8.293 -9.507 -5.968 1.00 0.95 C ATOM 787 NZ LYS A 57 -7.018 -10.071 -6.477 1.00 1.20 N ATOM 0 H LYS A 57 -5.860 -10.420 -2.434 1.00 0.28 H new ATOM 0 HA LYS A 57 -7.913 -9.051 -0.975 1.00 0.29 H new ATOM 0 HB2 LYS A 57 -8.093 -10.683 -3.533 1.00 0.35 H new ATOM 0 HB3 LYS A 57 -9.246 -9.491 -2.968 1.00 0.35 H new ATOM 0 HG2 LYS A 57 -7.365 -7.763 -3.112 1.00 0.36 H new ATOM 0 HG3 LYS A 57 -6.403 -8.987 -3.915 1.00 0.36 H new ATOM 0 HD2 LYS A 57 -9.045 -7.825 -4.872 1.00 0.55 H new ATOM 0 HD3 LYS A 57 -7.465 -7.567 -5.585 1.00 0.55 H new ATOM 0 HE2 LYS A 57 -8.832 -10.278 -5.417 1.00 0.95 H new ATOM 0 HE3 LYS A 57 -8.921 -9.220 -6.812 1.00 0.95 H new ATOM 0 HZ1 LYS A 57 -7.166 -10.457 -7.431 1.00 1.20 H new ATOM 0 HZ2 LYS A 57 -6.297 -9.322 -6.514 1.00 1.20 H new ATOM 0 HZ3 LYS A 57 -6.696 -10.830 -5.843 1.00 1.20 H new ATOM 979 N PRO A 70 1.443 -12.451 -4.151 1.00 0.51 N ATOM 980 CA PRO A 70 0.373 -11.542 -3.758 1.00 0.39 C ATOM 981 C PRO A 70 -0.842 -11.684 -4.666 1.00 0.32 C ATOM 982 O PRO A 70 -0.765 -12.285 -5.742 1.00 0.40 O ATOM 983 CB PRO A 70 0.995 -10.148 -3.920 1.00 0.40 C ATOM 984 CG PRO A 70 2.408 -10.369 -4.358 1.00 0.53 C ATOM 985 CD PRO A 70 2.464 -11.753 -4.931 1.00 0.59 C ATOM 0 HA PRO A 70 0.017 -11.741 -2.747 1.00 0.39 H new ATOM 0 HB2 PRO A 70 0.447 -9.560 -4.656 1.00 0.40 H new ATOM 0 HB3 PRO A 70 0.961 -9.595 -2.981 1.00 0.40 H new ATOM 0 HG2 PRO A 70 2.704 -9.629 -5.102 1.00 0.53 H new ATOM 0 HG3 PRO A 70 3.095 -10.269 -3.518 1.00 0.53 H new ATOM 0 HD2 PRO A 70 2.239 -11.762 -5.997 1.00 0.59 H new ATOM 0 HD3 PRO A 70 3.449 -12.205 -4.810 1.00 0.59 H new ATOM 993 N SER A 71 -1.956 -11.120 -4.234 1.00 0.28 N ATOM 994 CA SER A 71 -3.201 -11.188 -4.982 1.00 0.31 C ATOM 995 C SER A 71 -3.325 -9.965 -5.889 1.00 0.28 C ATOM 996 O SER A 71 -4.338 -9.758 -6.554 1.00 0.40 O ATOM 997 CB SER A 71 -4.372 -11.258 -3.998 1.00 0.41 C ATOM 998 OG SER A 71 -5.608 -11.487 -4.650 1.00 1.02 O ATOM 0 H SER A 71 -2.024 -10.603 -3.357 1.00 0.28 H new ATOM 0 HA SER A 71 -3.212 -12.080 -5.609 1.00 0.31 H new ATOM 0 HB2 SER A 71 -4.191 -12.055 -3.277 1.00 0.41 H new ATOM 0 HB3 SER A 71 -4.427 -10.326 -3.436 1.00 0.41 H new ATOM 0 HG SER A 71 -5.456 -12.008 -5.466 1.00 1.02 H new ATOM 1004 N GLY A 72 -2.277 -9.164 -5.899 1.00 0.24 N ATOM 1005 CA GLY A 72 -2.242 -7.967 -6.706 1.00 0.23 C ATOM 1006 C GLY A 72 -1.151 -7.045 -6.226 1.00 0.22 C ATOM 1007 O GLY A 72 -0.627 -7.234 -5.125 1.00 0.26 O ATOM 0 H GLY A 72 -1.432 -9.326 -5.350 1.00 0.24 H new ATOM 0 HA2 GLY A 72 -2.073 -8.229 -7.750 1.00 0.23 H new ATOM 0 HA3 GLY A 72 -3.205 -7.459 -6.657 1.00 0.23 H new ATOM 1011 N GLY A 73 -0.800 -6.058 -7.030 1.00 0.24 N ATOM 1012 CA GLY A 73 0.258 -5.156 -6.643 1.00 0.29 C ATOM 1013 C GLY A 73 0.688 -4.235 -7.760 1.00 0.27 C ATOM 1014 O GLY A 73 0.519 -4.552 -8.940 1.00 0.40 O ATOM 0 H GLY A 73 -1.225 -5.866 -7.937 1.00 0.24 H new ATOM 0 HA2 GLY A 73 -0.074 -4.558 -5.794 1.00 0.29 H new ATOM 0 HA3 GLY A 73 1.117 -5.736 -6.307 1.00 0.29 H new ATOM 1018 N PHE A 74 1.250 -3.098 -7.385 1.00 0.20 N ATOM 1019 CA PHE A 74 1.721 -2.115 -8.346 1.00 0.19 C ATOM 1020 C PHE A 74 2.966 -1.423 -7.806 1.00 0.19 C ATOM 1021 O PHE A 74 3.169 -1.358 -6.593 1.00 0.19 O ATOM 1022 CB PHE A 74 0.619 -1.091 -8.676 1.00 0.18 C ATOM 1023 CG PHE A 74 0.208 -0.172 -7.547 1.00 0.17 C ATOM 1024 CD1 PHE A 74 -0.068 -0.651 -6.276 1.00 0.20 C ATOM 1025 CD2 PHE A 74 0.076 1.184 -7.779 1.00 0.17 C ATOM 1026 CE1 PHE A 74 -0.461 0.209 -5.265 1.00 0.21 C ATOM 1027 CE2 PHE A 74 -0.315 2.045 -6.774 1.00 0.18 C ATOM 1028 CZ PHE A 74 -0.585 1.557 -5.516 1.00 0.18 C ATOM 0 H PHE A 74 1.392 -2.831 -6.411 1.00 0.20 H new ATOM 0 HA PHE A 74 1.978 -2.627 -9.273 1.00 0.19 H new ATOM 0 HB2 PHE A 74 0.958 -0.478 -9.511 1.00 0.18 H new ATOM 0 HB3 PHE A 74 -0.263 -1.633 -9.016 1.00 0.18 H new ATOM 0 HD1 PHE A 74 0.025 -1.708 -6.072 1.00 0.20 H new ATOM 0 HD2 PHE A 74 0.282 1.577 -8.764 1.00 0.17 H new ATOM 0 HE1 PHE A 74 -0.670 -0.178 -4.279 1.00 0.21 H new ATOM 0 HE2 PHE A 74 -0.409 3.102 -6.975 1.00 0.18 H new ATOM 0 HZ PHE A 74 -0.893 2.229 -4.729 1.00 0.18 H new ATOM 1038 N PRO A 75 3.826 -0.914 -8.700 1.00 0.20 N ATOM 1039 CA PRO A 75 5.085 -0.286 -8.307 1.00 0.20 C ATOM 1040 C PRO A 75 4.873 1.072 -7.651 1.00 0.19 C ATOM 1041 O PRO A 75 4.056 1.880 -8.096 1.00 0.20 O ATOM 1042 CB PRO A 75 5.849 -0.118 -9.622 1.00 0.23 C ATOM 1043 CG PRO A 75 5.056 -0.838 -10.661 1.00 0.25 C ATOM 1044 CD PRO A 75 3.648 -0.896 -10.156 1.00 0.22 C ATOM 0 HA PRO A 75 5.615 -0.890 -7.570 1.00 0.20 H new ATOM 0 HB2 PRO A 75 5.958 0.936 -9.877 1.00 0.23 H new ATOM 0 HB3 PRO A 75 6.854 -0.532 -9.544 1.00 0.23 H new ATOM 0 HG2 PRO A 75 5.104 -0.316 -11.617 1.00 0.25 H new ATOM 0 HG3 PRO A 75 5.451 -1.841 -10.825 1.00 0.25 H new ATOM 0 HD2 PRO A 75 3.066 -0.034 -10.482 1.00 0.22 H new ATOM 0 HD3 PRO A 75 3.127 -1.785 -10.511 1.00 0.22 H new ATOM 1052 N VAL A 76 5.653 1.309 -6.609 1.00 0.19 N ATOM 1053 CA VAL A 76 5.552 2.503 -5.783 1.00 0.18 C ATOM 1054 C VAL A 76 5.904 3.766 -6.564 1.00 0.19 C ATOM 1055 O VAL A 76 5.292 4.816 -6.376 1.00 0.19 O ATOM 1056 CB VAL A 76 6.474 2.368 -4.555 1.00 0.21 C ATOM 1057 CG1 VAL A 76 6.617 3.683 -3.818 1.00 0.30 C ATOM 1058 CG2 VAL A 76 5.933 1.301 -3.620 1.00 0.25 C ATOM 0 H VAL A 76 6.386 0.667 -6.308 1.00 0.19 H new ATOM 0 HA VAL A 76 4.516 2.596 -5.457 1.00 0.18 H new ATOM 0 HB VAL A 76 7.464 2.077 -4.907 1.00 0.21 H new ATOM 0 HG11 VAL A 76 7.274 3.549 -2.959 1.00 0.30 H new ATOM 0 HG12 VAL A 76 7.043 4.431 -4.487 1.00 0.30 H new ATOM 0 HG13 VAL A 76 5.637 4.017 -3.477 1.00 0.30 H new ATOM 0 HG21 VAL A 76 6.589 1.210 -2.754 1.00 0.25 H new ATOM 0 HG22 VAL A 76 4.932 1.580 -3.290 1.00 0.25 H new ATOM 0 HG23 VAL A 76 5.889 0.346 -4.144 1.00 0.25 H new ATOM 1068 N ASP A 77 6.880 3.658 -7.450 1.00 0.21 N ATOM 1069 CA ASP A 77 7.300 4.798 -8.257 1.00 0.24 C ATOM 1070 C ASP A 77 6.274 5.094 -9.348 1.00 0.23 C ATOM 1071 O ASP A 77 6.242 6.185 -9.912 1.00 0.30 O ATOM 1072 CB ASP A 77 8.672 4.524 -8.881 1.00 0.31 C ATOM 1073 CG ASP A 77 9.114 5.615 -9.843 1.00 0.73 C ATOM 1074 OD1 ASP A 77 9.663 6.639 -9.379 1.00 0.77 O ATOM 1075 OD2 ASP A 77 8.918 5.446 -11.070 1.00 1.29 O ATOM 0 H ASP A 77 7.396 2.797 -7.630 1.00 0.21 H new ATOM 0 HA ASP A 77 7.373 5.671 -7.609 1.00 0.24 H new ATOM 0 HB2 ASP A 77 9.413 4.424 -8.088 1.00 0.31 H new ATOM 0 HB3 ASP A 77 8.641 3.571 -9.410 1.00 0.31 H new ATOM 1080 N LYS A 78 5.413 4.124 -9.620 1.00 0.19 N ATOM 1081 CA LYS A 78 4.444 4.248 -10.700 1.00 0.20 C ATOM 1082 C LYS A 78 3.126 4.836 -10.204 1.00 0.17 C ATOM 1083 O LYS A 78 2.234 5.143 -11.001 1.00 0.18 O ATOM 1084 CB LYS A 78 4.210 2.890 -11.370 1.00 0.22 C ATOM 1085 CG LYS A 78 5.271 2.519 -12.402 1.00 0.28 C ATOM 1086 CD LYS A 78 6.656 2.356 -11.790 1.00 0.34 C ATOM 1087 CE LYS A 78 7.758 2.577 -12.814 1.00 0.47 C ATOM 1088 NZ LYS A 78 7.911 4.016 -13.164 1.00 1.54 N ATOM 0 H LYS A 78 5.365 3.243 -9.108 1.00 0.19 H new ATOM 0 HA LYS A 78 4.856 4.936 -11.439 1.00 0.20 H new ATOM 0 HB2 LYS A 78 4.179 2.117 -10.602 1.00 0.22 H new ATOM 0 HB3 LYS A 78 3.233 2.898 -11.854 1.00 0.22 H new ATOM 0 HG2 LYS A 78 4.984 1.589 -12.894 1.00 0.28 H new ATOM 0 HG3 LYS A 78 5.307 3.289 -13.172 1.00 0.28 H new ATOM 0 HD2 LYS A 78 6.776 3.063 -10.969 1.00 0.34 H new ATOM 0 HD3 LYS A 78 6.750 1.356 -11.366 1.00 0.34 H new ATOM 0 HE2 LYS A 78 8.701 2.197 -12.420 1.00 0.47 H new ATOM 0 HE3 LYS A 78 7.536 2.006 -13.715 1.00 0.47 H new ATOM 0 HZ1 LYS A 78 8.746 4.139 -13.772 1.00 1.54 H new ATOM 0 HZ2 LYS A 78 7.063 4.342 -13.671 1.00 1.54 H new ATOM 0 HZ3 LYS A 78 8.031 4.574 -12.295 1.00 1.54 H new ATOM 1102 N ILE A 79 3.003 4.990 -8.892 1.00 0.18 N ATOM 1103 CA ILE A 79 1.830 5.625 -8.307 1.00 0.16 C ATOM 1104 C ILE A 79 1.774 7.085 -8.740 1.00 0.18 C ATOM 1105 O ILE A 79 2.735 7.832 -8.544 1.00 0.26 O ATOM 1106 CB ILE A 79 1.856 5.560 -6.767 1.00 0.17 C ATOM 1107 CG1 ILE A 79 2.198 4.145 -6.293 1.00 0.18 C ATOM 1108 CG2 ILE A 79 0.516 6.007 -6.199 1.00 0.18 C ATOM 1109 CD1 ILE A 79 2.204 3.987 -4.787 1.00 0.19 C ATOM 0 H ILE A 79 3.701 4.684 -8.214 1.00 0.18 H new ATOM 0 HA ILE A 79 0.949 5.087 -8.658 1.00 0.16 H new ATOM 0 HB ILE A 79 2.630 6.236 -6.404 1.00 0.17 H new ATOM 0 HG12 ILE A 79 1.478 3.446 -6.719 1.00 0.18 H new ATOM 0 HG13 ILE A 79 3.178 3.869 -6.681 1.00 0.18 H new ATOM 0 HG21 ILE A 79 0.547 5.957 -5.111 1.00 0.18 H new ATOM 0 HG22 ILE A 79 0.313 7.032 -6.509 1.00 0.18 H new ATOM 0 HG23 ILE A 79 -0.273 5.353 -6.570 1.00 0.18 H new ATOM 0 HD11 ILE A 79 2.455 2.958 -4.530 1.00 0.19 H new ATOM 0 HD12 ILE A 79 2.944 4.660 -4.354 1.00 0.19 H new ATOM 0 HD13 ILE A 79 1.218 4.230 -4.392 1.00 0.19 H new ATOM 1121 N THR A 80 0.664 7.493 -9.337 1.00 0.15 N ATOM 1122 CA THR A 80 0.572 8.830 -9.890 1.00 0.18 C ATOM 1123 C THR A 80 0.176 9.842 -8.815 1.00 0.21 C ATOM 1124 O THR A 80 0.697 10.958 -8.785 1.00 0.28 O ATOM 1125 CB THR A 80 -0.404 8.907 -11.091 1.00 0.20 C ATOM 1126 OG1 THR A 80 -0.372 10.217 -11.668 1.00 0.27 O ATOM 1127 CG2 THR A 80 -1.831 8.573 -10.693 1.00 0.18 C ATOM 0 H THR A 80 -0.175 6.923 -9.449 1.00 0.15 H new ATOM 0 HA THR A 80 1.565 9.083 -10.262 1.00 0.18 H new ATOM 0 HB THR A 80 -0.074 8.166 -11.819 1.00 0.20 H new ATOM 0 HG1 THR A 80 -0.991 10.255 -12.427 1.00 0.27 H new ATOM 0 HG21 THR A 80 -2.478 8.640 -11.568 1.00 0.18 H new ATOM 0 HG22 THR A 80 -1.869 7.561 -10.291 1.00 0.18 H new ATOM 0 HG23 THR A 80 -2.172 9.278 -9.935 1.00 0.18 H new ATOM 1135 N SER A 81 -0.733 9.450 -7.920 1.00 0.18 N ATOM 1136 CA SER A 81 -1.208 10.348 -6.874 1.00 0.21 C ATOM 1137 C SER A 81 -1.841 9.575 -5.717 1.00 0.17 C ATOM 1138 O SER A 81 -2.619 8.641 -5.928 1.00 0.19 O ATOM 1139 CB SER A 81 -2.226 11.340 -7.448 1.00 0.30 C ATOM 1140 OG SER A 81 -1.638 12.164 -8.443 1.00 0.88 O ATOM 0 H SER A 81 -1.151 8.520 -7.901 1.00 0.18 H new ATOM 0 HA SER A 81 -0.345 10.892 -6.490 1.00 0.21 H new ATOM 0 HB2 SER A 81 -3.068 10.795 -7.875 1.00 0.30 H new ATOM 0 HB3 SER A 81 -2.623 11.962 -6.646 1.00 0.30 H new ATOM 0 HG SER A 81 -0.664 12.060 -8.420 1.00 0.88 H new ATOM 1146 N VAL A 82 -1.507 9.981 -4.499 1.00 0.20 N ATOM 1147 CA VAL A 82 -2.065 9.386 -3.290 1.00 0.21 C ATOM 1148 C VAL A 82 -2.818 10.450 -2.503 1.00 0.21 C ATOM 1149 O VAL A 82 -2.212 11.345 -1.913 1.00 0.24 O ATOM 1150 CB VAL A 82 -0.950 8.766 -2.411 1.00 0.27 C ATOM 1151 CG1 VAL A 82 -1.464 8.383 -1.032 1.00 1.36 C ATOM 1152 CG2 VAL A 82 -0.353 7.556 -3.102 1.00 1.01 C ATOM 0 H VAL A 82 -0.841 10.733 -4.320 1.00 0.20 H new ATOM 0 HA VAL A 82 -2.751 8.589 -3.578 1.00 0.21 H new ATOM 0 HB VAL A 82 -0.177 9.523 -2.276 1.00 0.27 H new ATOM 0 HG11 VAL A 82 -0.651 7.952 -0.447 1.00 1.36 H new ATOM 0 HG12 VAL A 82 -1.844 9.270 -0.526 1.00 1.36 H new ATOM 0 HG13 VAL A 82 -2.266 7.652 -1.133 1.00 1.36 H new ATOM 0 HG21 VAL A 82 0.430 7.128 -2.475 1.00 1.01 H new ATOM 0 HG22 VAL A 82 -1.131 6.812 -3.269 1.00 1.01 H new ATOM 0 HG23 VAL A 82 0.073 7.857 -4.059 1.00 1.01 H new ATOM 1162 N LYS A 83 -4.142 10.375 -2.531 1.00 0.21 N ATOM 1163 CA LYS A 83 -4.975 11.381 -1.903 1.00 0.23 C ATOM 1164 C LYS A 83 -5.945 10.764 -0.899 1.00 0.22 C ATOM 1165 O LYS A 83 -6.116 9.543 -0.834 1.00 0.21 O ATOM 1166 CB LYS A 83 -5.784 12.092 -2.976 1.00 0.30 C ATOM 1167 CG LYS A 83 -5.043 12.285 -4.285 1.00 0.80 C ATOM 1168 CD LYS A 83 -5.920 11.889 -5.455 1.00 0.55 C ATOM 1169 CE LYS A 83 -5.672 10.468 -5.920 1.00 1.14 C ATOM 1170 NZ LYS A 83 -6.559 10.114 -7.062 1.00 1.70 N ATOM 0 H LYS A 83 -4.660 9.623 -2.985 1.00 0.21 H new ATOM 0 HA LYS A 83 -4.323 12.075 -1.373 1.00 0.23 H new ATOM 0 HB2 LYS A 83 -6.694 11.523 -3.167 1.00 0.30 H new ATOM 0 HB3 LYS A 83 -6.091 13.067 -2.598 1.00 0.30 H new ATOM 0 HG2 LYS A 83 -4.739 13.327 -4.387 1.00 0.80 H new ATOM 0 HG3 LYS A 83 -4.133 11.686 -4.286 1.00 0.80 H new ATOM 0 HD2 LYS A 83 -6.967 11.996 -5.171 1.00 0.55 H new ATOM 0 HD3 LYS A 83 -5.743 12.574 -6.284 1.00 0.55 H new ATOM 0 HE2 LYS A 83 -4.629 10.356 -6.217 1.00 1.14 H new ATOM 0 HE3 LYS A 83 -5.844 9.777 -5.095 1.00 1.14 H new ATOM 0 HZ1 LYS A 83 -6.429 9.111 -7.305 1.00 1.70 H new ATOM 0 HZ2 LYS A 83 -7.551 10.280 -6.796 1.00 1.70 H new ATOM 0 HZ3 LYS A 83 -6.318 10.703 -7.884 1.00 1.70 H new ATOM 1184 N SER A 84 -6.557 11.616 -0.101 1.00 0.26 N ATOM 1185 CA SER A 84 -7.681 11.221 0.721 1.00 0.26 C ATOM 1186 C SER A 84 -8.955 11.845 0.145 1.00 0.29 C ATOM 1187 O SER A 84 -8.887 12.863 -0.552 1.00 0.32 O ATOM 1188 CB SER A 84 -7.461 11.652 2.169 1.00 0.30 C ATOM 1189 OG SER A 84 -7.227 13.046 2.259 1.00 0.72 O ATOM 0 H SER A 84 -6.290 12.596 -0.005 1.00 0.26 H new ATOM 0 HA SER A 84 -7.781 10.136 0.716 1.00 0.26 H new ATOM 0 HB2 SER A 84 -8.334 11.388 2.766 1.00 0.30 H new ATOM 0 HB3 SER A 84 -6.613 11.110 2.587 1.00 0.30 H new ATOM 0 HG SER A 84 -7.091 13.295 3.197 1.00 0.72 H new ATOM 1195 N GLN A 85 -10.103 11.219 0.397 1.00 0.30 N ATOM 1196 CA GLN A 85 -11.380 11.709 -0.132 1.00 0.37 C ATOM 1197 C GLN A 85 -11.699 13.107 0.399 1.00 0.44 C ATOM 1198 O GLN A 85 -11.001 13.611 1.277 1.00 0.47 O ATOM 1199 CB GLN A 85 -12.517 10.753 0.236 1.00 0.37 C ATOM 1200 CG GLN A 85 -13.233 10.155 -0.963 1.00 0.41 C ATOM 1201 CD GLN A 85 -12.385 9.150 -1.711 1.00 0.39 C ATOM 1202 OE1 GLN A 85 -11.536 8.436 -0.988 1.00 0.46 O flip ATOM 1203 NE2 GLN A 85 -12.504 9.004 -2.926 1.00 0.34 N flip ATOM 0 H GLN A 85 -10.178 10.373 0.962 1.00 0.30 H new ATOM 0 HA GLN A 85 -11.288 11.760 -1.217 1.00 0.37 H new ATOM 0 HB2 GLN A 85 -12.115 9.945 0.847 1.00 0.37 H new ATOM 0 HB3 GLN A 85 -13.242 11.286 0.851 1.00 0.37 H new ATOM 0 HG2 GLN A 85 -14.151 9.672 -0.628 1.00 0.41 H new ATOM 0 HG3 GLN A 85 -13.524 10.956 -1.643 1.00 0.41 H new ATOM 0 HE21 GLN A 85 -13.171 9.575 -3.445 1.00 0.34 H new ATOM 0 HE22 GLN A 85 -11.936 8.312 -3.415 1.00 0.34 H new ATOM 1212 N ALA A 86 -12.751 13.727 -0.118 1.00 0.52 N ATOM 1213 CA ALA A 86 -13.109 15.082 0.292 1.00 0.61 C ATOM 1214 C ALA A 86 -13.380 15.148 1.793 1.00 0.67 C ATOM 1215 O ALA A 86 -12.882 16.038 2.487 1.00 0.72 O ATOM 1216 CB ALA A 86 -14.319 15.568 -0.488 1.00 0.71 C ATOM 0 H ALA A 86 -13.370 13.318 -0.818 1.00 0.52 H new ATOM 0 HA ALA A 86 -12.265 15.736 0.073 1.00 0.61 H new ATOM 0 HB1 ALA A 86 -14.574 16.579 -0.171 1.00 0.71 H new ATOM 0 HB2 ALA A 86 -14.089 15.569 -1.553 1.00 0.71 H new ATOM 0 HB3 ALA A 86 -15.164 14.905 -0.300 1.00 0.71 H new ATOM 1222 N ASP A 87 -14.146 14.188 2.292 1.00 0.71 N ATOM 1223 CA ASP A 87 -14.425 14.099 3.721 1.00 0.80 C ATOM 1224 C ASP A 87 -13.707 12.897 4.325 1.00 0.65 C ATOM 1225 O ASP A 87 -13.381 12.883 5.511 1.00 0.69 O ATOM 1226 CB ASP A 87 -15.935 13.977 3.933 1.00 0.98 C ATOM 1227 CG ASP A 87 -16.308 13.700 5.372 1.00 1.32 C ATOM 1228 OD1 ASP A 87 -16.320 14.653 6.177 1.00 1.59 O ATOM 1229 OD2 ASP A 87 -16.578 12.526 5.703 1.00 1.50 O ATOM 0 H ASP A 87 -14.586 13.459 1.730 1.00 0.71 H new ATOM 0 HA ASP A 87 -14.062 14.999 4.217 1.00 0.80 H new ATOM 0 HB2 ASP A 87 -16.418 14.899 3.609 1.00 0.98 H new ATOM 0 HB3 ASP A 87 -16.322 13.176 3.302 1.00 0.98 H new ATOM 1234 N ASN A 88 -13.441 11.917 3.457 1.00 0.50 N ATOM 1235 CA ASN A 88 -12.639 10.717 3.756 1.00 0.37 C ATOM 1236 C ASN A 88 -12.757 10.211 5.195 1.00 0.39 C ATOM 1237 O ASN A 88 -11.748 9.839 5.794 1.00 0.44 O ATOM 1238 CB ASN A 88 -11.158 10.952 3.406 1.00 0.36 C ATOM 1239 CG ASN A 88 -10.449 11.970 4.299 1.00 0.49 C ATOM 1240 OD1 ASN A 88 -9.835 11.617 5.307 1.00 1.10 O ATOM 1241 ND2 ASN A 88 -10.510 13.236 3.925 1.00 1.14 N ATOM 0 H ASN A 88 -13.786 11.933 2.497 1.00 0.50 H new ATOM 0 HA ASN A 88 -13.059 9.933 3.126 1.00 0.37 H new ATOM 0 HB2 ASN A 88 -10.628 10.002 3.468 1.00 0.36 H new ATOM 0 HB3 ASN A 88 -11.091 11.287 2.371 1.00 0.36 H new ATOM 0 HD21 ASN A 88 -10.040 13.954 4.477 1.00 1.14 H new ATOM 0 HD22 ASN A 88 -11.027 13.495 3.085 1.00 1.14 H new ATOM 1248 N THR A 89 -13.973 10.148 5.742 1.00 0.43 N ATOM 1249 CA THR A 89 -14.142 9.664 7.107 1.00 0.48 C ATOM 1250 C THR A 89 -13.434 8.321 7.282 1.00 0.43 C ATOM 1251 O THR A 89 -12.578 8.180 8.154 1.00 0.48 O ATOM 1252 CB THR A 89 -15.625 9.540 7.522 1.00 0.58 C ATOM 1253 OG1 THR A 89 -16.234 10.837 7.603 1.00 0.68 O ATOM 1254 CG2 THR A 89 -15.750 8.848 8.871 1.00 0.67 C ATOM 0 H THR A 89 -14.836 10.420 5.271 1.00 0.43 H new ATOM 0 HA THR A 89 -13.690 10.408 7.763 1.00 0.48 H new ATOM 0 HB THR A 89 -16.135 8.945 6.764 1.00 0.58 H new ATOM 0 HG1 THR A 89 -16.127 11.303 6.748 1.00 0.68 H new ATOM 0 HG21 THR A 89 -16.802 8.771 9.144 1.00 0.67 H new ATOM 0 HG22 THR A 89 -15.317 7.850 8.809 1.00 0.67 H new ATOM 0 HG23 THR A 89 -15.220 9.427 9.627 1.00 0.67 H new ATOM 1262 N LYS A 90 -13.804 7.327 6.482 1.00 0.38 N ATOM 1263 CA LYS A 90 -13.060 6.078 6.462 1.00 0.35 C ATOM 1264 C LYS A 90 -12.401 5.769 5.104 1.00 0.29 C ATOM 1265 O LYS A 90 -11.788 4.713 4.954 1.00 0.32 O ATOM 1266 CB LYS A 90 -13.928 4.908 6.927 1.00 0.44 C ATOM 1267 CG LYS A 90 -15.313 4.850 6.305 1.00 0.68 C ATOM 1268 CD LYS A 90 -16.043 3.569 6.697 1.00 0.78 C ATOM 1269 CE LYS A 90 -16.147 3.403 8.208 1.00 1.07 C ATOM 1270 NZ LYS A 90 -16.967 4.469 8.843 1.00 1.47 N ATOM 0 H LYS A 90 -14.603 7.362 5.849 1.00 0.38 H new ATOM 0 HA LYS A 90 -12.242 6.212 7.170 1.00 0.35 H new ATOM 0 HB2 LYS A 90 -13.407 3.977 6.704 1.00 0.44 H new ATOM 0 HB3 LYS A 90 -14.035 4.962 8.010 1.00 0.44 H new ATOM 0 HG2 LYS A 90 -15.894 5.715 6.625 1.00 0.68 H new ATOM 0 HG3 LYS A 90 -15.229 4.906 5.220 1.00 0.68 H new ATOM 0 HD2 LYS A 90 -17.044 3.577 6.265 1.00 0.78 H new ATOM 0 HD3 LYS A 90 -15.520 2.711 6.274 1.00 0.78 H new ATOM 0 HE2 LYS A 90 -16.583 2.430 8.434 1.00 1.07 H new ATOM 0 HE3 LYS A 90 -15.147 3.412 8.641 1.00 1.07 H new ATOM 0 HZ1 LYS A 90 -17.021 4.301 9.868 1.00 1.47 H new ATOM 0 HZ2 LYS A 90 -16.529 5.396 8.666 1.00 1.47 H new ATOM 0 HZ3 LYS A 90 -17.925 4.457 8.439 1.00 1.47 H new ATOM 1284 N VAL A 91 -12.485 6.682 4.135 1.00 0.27 N ATOM 1285 CA VAL A 91 -12.109 6.349 2.750 1.00 0.25 C ATOM 1286 C VAL A 91 -10.820 7.039 2.277 1.00 0.22 C ATOM 1287 O VAL A 91 -10.624 8.231 2.484 1.00 0.31 O ATOM 1288 CB VAL A 91 -13.238 6.730 1.775 1.00 0.29 C ATOM 1289 CG1 VAL A 91 -13.006 6.104 0.408 1.00 0.35 C ATOM 1290 CG2 VAL A 91 -14.587 6.310 2.326 1.00 0.39 C ATOM 0 H VAL A 91 -12.803 7.641 4.273 1.00 0.27 H new ATOM 0 HA VAL A 91 -11.934 5.273 2.751 1.00 0.25 H new ATOM 0 HB VAL A 91 -13.234 7.814 1.661 1.00 0.29 H new ATOM 0 HG11 VAL A 91 -13.816 6.387 -0.264 1.00 0.35 H new ATOM 0 HG12 VAL A 91 -12.058 6.457 0.002 1.00 0.35 H new ATOM 0 HG13 VAL A 91 -12.977 5.019 0.505 1.00 0.35 H new ATOM 0 HG21 VAL A 91 -15.371 6.589 1.621 1.00 0.39 H new ATOM 0 HG22 VAL A 91 -14.599 5.230 2.474 1.00 0.39 H new ATOM 0 HG23 VAL A 91 -14.762 6.809 3.279 1.00 0.39 H new ATOM 1300 N LEU A 92 -9.962 6.266 1.617 1.00 0.20 N ATOM 1301 CA LEU A 92 -8.743 6.779 0.976 1.00 0.17 C ATOM 1302 C LEU A 92 -8.860 6.658 -0.540 1.00 0.17 C ATOM 1303 O LEU A 92 -9.582 5.800 -1.022 1.00 0.19 O ATOM 1304 CB LEU A 92 -7.521 5.988 1.436 1.00 0.17 C ATOM 1305 CG LEU A 92 -6.787 6.518 2.666 1.00 0.18 C ATOM 1306 CD1 LEU A 92 -7.738 6.752 3.829 1.00 0.22 C ATOM 1307 CD2 LEU A 92 -5.692 5.541 3.056 1.00 0.19 C ATOM 0 H LEU A 92 -10.089 5.260 1.508 1.00 0.20 H new ATOM 0 HA LEU A 92 -8.626 7.825 1.259 1.00 0.17 H new ATOM 0 HB2 LEU A 92 -7.835 4.965 1.641 1.00 0.17 H new ATOM 0 HB3 LEU A 92 -6.812 5.944 0.609 1.00 0.17 H new ATOM 0 HG LEU A 92 -6.343 7.482 2.417 1.00 0.18 H new ATOM 0 HD11 LEU A 92 -7.179 7.129 4.686 1.00 0.22 H new ATOM 0 HD12 LEU A 92 -8.494 7.482 3.539 1.00 0.22 H new ATOM 0 HD13 LEU A 92 -8.223 5.813 4.097 1.00 0.22 H new ATOM 0 HD21 LEU A 92 -5.166 5.916 3.934 1.00 0.19 H new ATOM 0 HD22 LEU A 92 -6.134 4.571 3.285 1.00 0.19 H new ATOM 0 HD23 LEU A 92 -4.989 5.434 2.230 1.00 0.19 H new ATOM 1319 N VAL A 93 -8.179 7.523 -1.288 1.00 0.17 N ATOM 1320 CA VAL A 93 -8.205 7.447 -2.750 1.00 0.18 C ATOM 1321 C VAL A 93 -6.790 7.532 -3.347 1.00 0.17 C ATOM 1322 O VAL A 93 -6.145 8.579 -3.336 1.00 0.19 O ATOM 1323 CB VAL A 93 -9.124 8.543 -3.352 1.00 0.20 C ATOM 1324 CG1 VAL A 93 -8.888 9.881 -2.676 1.00 0.20 C ATOM 1325 CG2 VAL A 93 -8.927 8.668 -4.854 1.00 0.24 C ATOM 0 H VAL A 93 -7.607 8.279 -0.912 1.00 0.17 H new ATOM 0 HA VAL A 93 -8.618 6.474 -3.016 1.00 0.18 H new ATOM 0 HB VAL A 93 -10.155 8.240 -3.170 1.00 0.20 H new ATOM 0 HG11 VAL A 93 -9.544 10.632 -3.116 1.00 0.20 H new ATOM 0 HG12 VAL A 93 -9.101 9.793 -1.611 1.00 0.20 H new ATOM 0 HG13 VAL A 93 -7.849 10.181 -2.815 1.00 0.20 H new ATOM 0 HG21 VAL A 93 -9.585 9.444 -5.244 1.00 0.24 H new ATOM 0 HG22 VAL A 93 -7.891 8.932 -5.064 1.00 0.24 H new ATOM 0 HG23 VAL A 93 -9.163 7.718 -5.332 1.00 0.24 H new ATOM 1335 N ILE A 94 -6.324 6.415 -3.887 1.00 0.16 N ATOM 1336 CA ILE A 94 -4.979 6.315 -4.451 1.00 0.15 C ATOM 1337 C ILE A 94 -5.063 5.921 -5.922 1.00 0.15 C ATOM 1338 O ILE A 94 -5.774 4.989 -6.269 1.00 0.17 O ATOM 1339 CB ILE A 94 -4.118 5.263 -3.695 1.00 0.16 C ATOM 1340 CG1 ILE A 94 -3.627 5.793 -2.338 1.00 0.17 C ATOM 1341 CG2 ILE A 94 -2.934 4.813 -4.541 1.00 0.16 C ATOM 1342 CD1 ILE A 94 -4.714 5.938 -1.297 1.00 0.18 C ATOM 0 H ILE A 94 -6.864 5.552 -3.948 1.00 0.16 H new ATOM 0 HA ILE A 94 -4.504 7.291 -4.347 1.00 0.15 H new ATOM 0 HB ILE A 94 -4.761 4.403 -3.507 1.00 0.16 H new ATOM 0 HG12 ILE A 94 -2.860 5.120 -1.954 1.00 0.17 H new ATOM 0 HG13 ILE A 94 -3.153 6.763 -2.490 1.00 0.17 H new ATOM 0 HG21 ILE A 94 -2.350 4.078 -3.987 1.00 0.16 H new ATOM 0 HG22 ILE A 94 -3.297 4.366 -5.466 1.00 0.16 H new ATOM 0 HG23 ILE A 94 -2.307 5.673 -4.775 1.00 0.16 H new ATOM 0 HD11 ILE A 94 -4.282 6.317 -0.371 1.00 0.18 H new ATOM 0 HD12 ILE A 94 -5.471 6.635 -1.656 1.00 0.18 H new ATOM 0 HD13 ILE A 94 -5.173 4.967 -1.113 1.00 0.18 H new ATOM 1354 N THR A 95 -4.336 6.616 -6.782 1.00 0.14 N ATOM 1355 CA THR A 95 -4.368 6.319 -8.206 1.00 0.13 C ATOM 1356 C THR A 95 -2.959 6.054 -8.731 1.00 0.11 C ATOM 1357 O THR A 95 -1.991 6.675 -8.285 1.00 0.12 O ATOM 1358 CB THR A 95 -5.012 7.474 -8.995 1.00 0.16 C ATOM 1359 OG1 THR A 95 -6.270 7.818 -8.400 1.00 0.20 O ATOM 1360 CG2 THR A 95 -5.235 7.093 -10.453 1.00 0.16 C ATOM 0 H THR A 95 -3.720 7.386 -6.522 1.00 0.14 H new ATOM 0 HA THR A 95 -4.973 5.423 -8.347 1.00 0.13 H new ATOM 0 HB THR A 95 -4.333 8.326 -8.962 1.00 0.16 H new ATOM 0 HG1 THR A 95 -6.751 8.438 -8.987 1.00 0.20 H new ATOM 0 HG21 THR A 95 -5.691 7.930 -10.982 1.00 0.16 H new ATOM 0 HG22 THR A 95 -4.279 6.849 -10.916 1.00 0.16 H new ATOM 0 HG23 THR A 95 -5.895 6.227 -10.506 1.00 0.16 H new ATOM 1368 N VAL A 96 -2.849 5.129 -9.673 1.00 0.11 N ATOM 1369 CA VAL A 96 -1.572 4.762 -10.258 1.00 0.10 C ATOM 1370 C VAL A 96 -1.572 5.013 -11.769 1.00 0.11 C ATOM 1371 O VAL A 96 -2.599 4.845 -12.428 1.00 0.14 O ATOM 1372 CB VAL A 96 -1.252 3.282 -9.965 1.00 0.12 C ATOM 1373 CG1 VAL A 96 -2.451 2.399 -10.265 1.00 0.14 C ATOM 1374 CG2 VAL A 96 -0.049 2.823 -10.759 1.00 0.14 C ATOM 0 H VAL A 96 -3.643 4.613 -10.052 1.00 0.11 H new ATOM 0 HA VAL A 96 -0.800 5.385 -9.806 1.00 0.10 H new ATOM 0 HB VAL A 96 -1.018 3.195 -8.904 1.00 0.12 H new ATOM 0 HG11 VAL A 96 -2.201 1.360 -10.051 1.00 0.14 H new ATOM 0 HG12 VAL A 96 -3.293 2.705 -9.644 1.00 0.14 H new ATOM 0 HG13 VAL A 96 -2.721 2.497 -11.316 1.00 0.14 H new ATOM 0 HG21 VAL A 96 0.157 1.776 -10.535 1.00 0.14 H new ATOM 0 HG22 VAL A 96 -0.252 2.933 -11.824 1.00 0.14 H new ATOM 0 HG23 VAL A 96 0.817 3.428 -10.490 1.00 0.14 H new ATOM 1384 N ASN A 97 -0.425 5.422 -12.315 1.00 0.14 N ATOM 1385 CA ASN A 97 -0.318 5.663 -13.748 1.00 0.23 C ATOM 1386 C ASN A 97 0.920 4.989 -14.327 1.00 0.34 C ATOM 1387 O ASN A 97 2.027 5.526 -14.248 1.00 0.81 O ATOM 1388 CB ASN A 97 -0.282 7.157 -14.060 1.00 0.44 C ATOM 1389 CG ASN A 97 -0.427 7.457 -15.547 1.00 1.14 C ATOM 1390 OD1 ASN A 97 -0.047 6.657 -16.405 1.00 1.45 O ATOM 1391 ND2 ASN A 97 -0.978 8.618 -15.866 1.00 1.87 N ATOM 0 H ASN A 97 0.433 5.591 -11.789 1.00 0.14 H new ATOM 0 HA ASN A 97 -1.205 5.232 -14.212 1.00 0.23 H new ATOM 0 HB2 ASN A 97 -1.083 7.656 -13.514 1.00 0.44 H new ATOM 0 HB3 ASN A 97 0.658 7.575 -13.700 1.00 0.44 H new ATOM 0 HD21 ASN A 97 -1.099 8.873 -16.846 1.00 1.87 H new ATOM 0 HD22 ASN A 97 -1.282 9.257 -15.132 1.00 1.87 H new ATOM 1398 N ASN A 98 0.691 3.806 -14.885 1.00 0.42 N ATOM 1399 CA ASN A 98 1.679 3.036 -15.658 1.00 0.43 C ATOM 1400 C ASN A 98 1.164 1.600 -15.811 1.00 0.38 C ATOM 1401 O ASN A 98 1.036 1.111 -16.932 1.00 0.43 O ATOM 1402 CB ASN A 98 3.097 3.076 -15.061 1.00 0.51 C ATOM 1403 CG ASN A 98 4.085 2.225 -15.837 1.00 0.58 C ATOM 1404 OD1 ASN A 98 4.282 0.987 -15.407 1.00 0.75 O flip ATOM 1405 ND2 ASN A 98 4.681 2.685 -16.811 1.00 0.57 N flip ATOM 0 H ASN A 98 -0.211 3.336 -14.814 1.00 0.42 H new ATOM 0 HA ASN A 98 1.782 3.503 -16.638 1.00 0.43 H new ATOM 0 HB2 ASN A 98 3.449 4.107 -15.042 1.00 0.51 H new ATOM 0 HB3 ASN A 98 3.061 2.732 -14.027 1.00 0.51 H new ATOM 0 HD21 ASN A 98 4.503 3.643 -17.112 1.00 0.57 H new ATOM 0 HD22 ASN A 98 5.353 2.108 -17.317 1.00 0.57 H new ATOM 1412 N PRO A 99 0.864 0.890 -14.691 1.00 0.35 N ATOM 1413 CA PRO A 99 -0.054 -0.257 -14.713 1.00 0.34 C ATOM 1414 C PRO A 99 -1.429 0.166 -15.224 1.00 0.30 C ATOM 1415 O PRO A 99 -1.667 1.356 -15.450 1.00 0.29 O ATOM 1416 CB PRO A 99 -0.149 -0.686 -13.247 1.00 0.36 C ATOM 1417 CG PRO A 99 1.106 -0.193 -12.632 1.00 0.40 C ATOM 1418 CD PRO A 99 1.428 1.089 -13.339 1.00 0.38 C ATOM 0 HA PRO A 99 0.293 -1.056 -15.369 1.00 0.34 H new ATOM 0 HB2 PRO A 99 -1.024 -0.253 -12.763 1.00 0.36 H new ATOM 0 HB3 PRO A 99 -0.237 -1.769 -13.155 1.00 0.36 H new ATOM 0 HG2 PRO A 99 0.979 -0.029 -11.562 1.00 0.40 H new ATOM 0 HG3 PRO A 99 1.911 -0.918 -12.750 1.00 0.40 H new ATOM 0 HD2 PRO A 99 0.978 1.947 -12.839 1.00 0.38 H new ATOM 0 HD3 PRO A 99 2.503 1.268 -13.375 1.00 0.38 H new ATOM 1426 N GLN A 100 -2.326 -0.792 -15.415 1.00 0.34 N ATOM 1427 CA GLN A 100 -3.662 -0.472 -15.892 1.00 0.36 C ATOM 1428 C GLN A 100 -4.337 0.485 -14.907 1.00 0.32 C ATOM 1429 O GLN A 100 -4.379 0.228 -13.700 1.00 0.31 O ATOM 1430 CB GLN A 100 -4.496 -1.748 -16.065 1.00 0.46 C ATOM 1431 CG GLN A 100 -4.725 -2.514 -14.775 1.00 1.17 C ATOM 1432 CD GLN A 100 -5.563 -3.760 -14.975 1.00 1.25 C ATOM 1433 OE1 GLN A 100 -5.539 -4.378 -16.039 1.00 1.54 O ATOM 1434 NE2 GLN A 100 -6.312 -4.141 -13.956 1.00 1.87 N ATOM 0 H GLN A 100 -2.155 -1.784 -15.249 1.00 0.34 H new ATOM 0 HA GLN A 100 -3.587 0.012 -16.866 1.00 0.36 H new ATOM 0 HB2 GLN A 100 -5.462 -1.483 -16.495 1.00 0.46 H new ATOM 0 HB3 GLN A 100 -3.997 -2.402 -16.780 1.00 0.46 H new ATOM 0 HG2 GLN A 100 -3.762 -2.794 -14.348 1.00 1.17 H new ATOM 0 HG3 GLN A 100 -5.217 -1.862 -14.053 1.00 1.17 H new ATOM 0 HE21 GLN A 100 -6.306 -3.603 -13.089 1.00 1.87 H new ATOM 0 HE22 GLN A 100 -6.897 -4.973 -14.036 1.00 1.87 H new ATOM 1443 N PRO A 101 -4.834 1.625 -15.421 1.00 0.36 N ATOM 1444 CA PRO A 101 -5.351 2.721 -14.595 1.00 0.35 C ATOM 1445 C PRO A 101 -6.375 2.259 -13.577 1.00 0.32 C ATOM 1446 O PRO A 101 -7.487 1.854 -13.925 1.00 0.39 O ATOM 1447 CB PRO A 101 -6.001 3.662 -15.608 1.00 0.45 C ATOM 1448 CG PRO A 101 -5.295 3.387 -16.888 1.00 0.57 C ATOM 1449 CD PRO A 101 -4.935 1.926 -16.858 1.00 0.46 C ATOM 0 HA PRO A 101 -4.558 3.183 -14.007 1.00 0.35 H new ATOM 0 HB2 PRO A 101 -7.070 3.470 -15.697 1.00 0.45 H new ATOM 0 HB3 PRO A 101 -5.888 4.704 -15.309 1.00 0.45 H new ATOM 0 HG2 PRO A 101 -5.933 3.614 -17.742 1.00 0.57 H new ATOM 0 HG3 PRO A 101 -4.403 4.007 -16.983 1.00 0.57 H new ATOM 0 HD2 PRO A 101 -5.696 1.315 -17.343 1.00 0.46 H new ATOM 0 HD3 PRO A 101 -3.995 1.734 -17.375 1.00 0.46 H new ATOM 1457 N THR A 102 -5.993 2.329 -12.317 1.00 0.26 N ATOM 1458 CA THR A 102 -6.857 1.920 -11.234 1.00 0.25 C ATOM 1459 C THR A 102 -6.715 2.884 -10.065 1.00 0.21 C ATOM 1460 O THR A 102 -5.634 3.428 -9.823 1.00 0.22 O ATOM 1461 CB THR A 102 -6.525 0.487 -10.763 1.00 0.27 C ATOM 1462 OG1 THR A 102 -6.377 -0.381 -11.898 1.00 0.33 O ATOM 1463 CG2 THR A 102 -7.621 -0.055 -9.854 1.00 0.30 C ATOM 0 H THR A 102 -5.079 2.670 -12.019 1.00 0.26 H new ATOM 0 HA THR A 102 -7.884 1.933 -11.600 1.00 0.25 H new ATOM 0 HB THR A 102 -5.591 0.523 -10.203 1.00 0.27 H new ATOM 0 HG1 THR A 102 -5.574 -0.129 -12.400 1.00 0.33 H new ATOM 0 HG21 THR A 102 -7.363 -1.065 -9.536 1.00 0.30 H new ATOM 0 HG22 THR A 102 -7.718 0.587 -8.979 1.00 0.30 H new ATOM 0 HG23 THR A 102 -8.566 -0.075 -10.396 1.00 0.30 H new ATOM 1471 N THR A 103 -7.810 3.101 -9.362 1.00 0.21 N ATOM 1472 CA THR A 103 -7.818 3.964 -8.202 1.00 0.19 C ATOM 1473 C THR A 103 -8.280 3.171 -6.993 1.00 0.20 C ATOM 1474 O THR A 103 -9.448 2.806 -6.880 1.00 0.28 O ATOM 1475 CB THR A 103 -8.728 5.190 -8.420 1.00 0.20 C ATOM 1476 OG1 THR A 103 -8.229 5.983 -9.507 1.00 0.22 O ATOM 1477 CG2 THR A 103 -8.814 6.044 -7.164 1.00 0.22 C ATOM 0 H THR A 103 -8.715 2.684 -9.580 1.00 0.21 H new ATOM 0 HA THR A 103 -6.806 4.333 -8.035 1.00 0.19 H new ATOM 0 HB THR A 103 -9.728 4.828 -8.658 1.00 0.20 H new ATOM 0 HG1 THR A 103 -7.563 6.618 -9.170 1.00 0.22 H new ATOM 0 HG21 THR A 103 -9.463 6.900 -7.350 1.00 0.22 H new ATOM 0 HG22 THR A 103 -9.223 5.449 -6.347 1.00 0.22 H new ATOM 0 HG23 THR A 103 -7.818 6.395 -6.894 1.00 0.22 H new ATOM 1485 N TYR A 104 -7.351 2.894 -6.104 1.00 0.17 N ATOM 1486 CA TYR A 104 -7.614 2.049 -4.965 1.00 0.18 C ATOM 1487 C TYR A 104 -8.109 2.872 -3.797 1.00 0.19 C ATOM 1488 O TYR A 104 -7.441 3.803 -3.346 1.00 0.20 O ATOM 1489 CB TYR A 104 -6.351 1.282 -4.586 1.00 0.19 C ATOM 1490 CG TYR A 104 -5.826 0.435 -5.719 1.00 0.20 C ATOM 1491 CD1 TYR A 104 -6.346 -0.831 -5.966 1.00 0.22 C ATOM 1492 CD2 TYR A 104 -4.796 0.894 -6.526 1.00 0.23 C ATOM 1493 CE1 TYR A 104 -5.849 -1.616 -6.989 1.00 0.26 C ATOM 1494 CE2 TYR A 104 -4.300 0.116 -7.553 1.00 0.25 C ATOM 1495 CZ TYR A 104 -4.895 -1.109 -7.830 1.00 0.26 C ATOM 1496 OH TYR A 104 -4.325 -1.915 -8.796 1.00 0.30 O ATOM 0 H TYR A 104 -6.396 3.248 -6.152 1.00 0.17 H new ATOM 0 HA TYR A 104 -8.393 1.334 -5.229 1.00 0.18 H new ATOM 0 HB2 TYR A 104 -5.580 1.988 -4.277 1.00 0.19 H new ATOM 0 HB3 TYR A 104 -6.561 0.644 -3.727 1.00 0.19 H new ATOM 0 HD1 TYR A 104 -7.150 -1.206 -5.350 1.00 0.22 H new ATOM 0 HD2 TYR A 104 -4.376 1.873 -6.349 1.00 0.23 H new ATOM 0 HE1 TYR A 104 -6.211 -2.624 -7.124 1.00 0.26 H new ATOM 0 HE2 TYR A 104 -3.457 0.456 -8.136 1.00 0.25 H new ATOM 0 HH TYR A 104 -3.734 -2.569 -8.369 1.00 0.30 H new ATOM 1506 N ASN A 105 -9.288 2.531 -3.321 1.00 0.18 N ATOM 1507 CA ASN A 105 -9.863 3.213 -2.185 1.00 0.18 C ATOM 1508 C ASN A 105 -9.761 2.341 -0.965 1.00 0.17 C ATOM 1509 O ASN A 105 -10.504 1.369 -0.805 1.00 0.16 O ATOM 1510 CB ASN A 105 -11.312 3.612 -2.451 1.00 0.20 C ATOM 1511 CG ASN A 105 -11.408 4.650 -3.545 1.00 0.24 C ATOM 1512 OD1 ASN A 105 -11.431 4.196 -4.781 1.00 0.46 O flip ATOM 1513 ND2 ASN A 105 -11.445 5.851 -3.284 1.00 0.26 N flip ATOM 0 H ASN A 105 -9.866 1.784 -3.705 1.00 0.18 H new ATOM 0 HA ASN A 105 -9.302 4.131 -2.012 1.00 0.18 H new ATOM 0 HB2 ASN A 105 -11.888 2.730 -2.733 1.00 0.20 H new ATOM 0 HB3 ASN A 105 -11.757 4.004 -1.536 1.00 0.20 H new ATOM 0 HD21 ASN A 105 -11.425 6.163 -2.313 1.00 0.26 H new ATOM 0 HD22 ASN A 105 -11.495 6.536 -4.038 1.00 0.26 H new ATOM 1520 N PHE A 106 -8.817 2.687 -0.118 1.00 0.18 N ATOM 1521 CA PHE A 106 -8.558 1.924 1.089 1.00 0.17 C ATOM 1522 C PHE A 106 -9.496 2.380 2.191 1.00 0.19 C ATOM 1523 O PHE A 106 -9.402 3.508 2.675 1.00 0.23 O ATOM 1524 CB PHE A 106 -7.101 2.084 1.542 1.00 0.19 C ATOM 1525 CG PHE A 106 -6.082 1.664 0.517 1.00 0.18 C ATOM 1526 CD1 PHE A 106 -5.918 0.328 0.200 1.00 0.21 C ATOM 1527 CD2 PHE A 106 -5.293 2.602 -0.130 1.00 0.31 C ATOM 1528 CE1 PHE A 106 -4.989 -0.067 -0.744 1.00 0.21 C ATOM 1529 CE2 PHE A 106 -4.364 2.215 -1.075 1.00 0.34 C ATOM 1530 CZ PHE A 106 -4.193 0.897 -1.372 1.00 0.23 C ATOM 0 H PHE A 106 -8.210 3.498 -0.242 1.00 0.18 H new ATOM 0 HA PHE A 106 -8.731 0.870 0.874 1.00 0.17 H new ATOM 0 HB2 PHE A 106 -6.927 3.128 1.803 1.00 0.19 H new ATOM 0 HB3 PHE A 106 -6.949 1.499 2.449 1.00 0.19 H new ATOM 0 HD1 PHE A 106 -6.523 -0.416 0.696 1.00 0.21 H new ATOM 0 HD2 PHE A 106 -5.406 3.649 0.108 1.00 0.31 H new ATOM 0 HE1 PHE A 106 -4.878 -1.112 -0.995 1.00 0.21 H new ATOM 0 HE2 PHE A 106 -3.770 2.961 -1.581 1.00 0.34 H new ATOM 0 HZ PHE A 106 -3.445 0.597 -2.091 1.00 0.23 H new ATOM 1540 N THR A 107 -10.410 1.510 2.566 1.00 0.17 N ATOM 1541 CA THR A 107 -11.378 1.824 3.595 1.00 0.21 C ATOM 1542 C THR A 107 -11.250 0.852 4.759 1.00 0.20 C ATOM 1543 O THR A 107 -11.074 -0.345 4.560 1.00 0.22 O ATOM 1544 CB THR A 107 -12.809 1.762 3.028 1.00 0.26 C ATOM 1545 OG1 THR A 107 -12.886 2.539 1.826 1.00 0.39 O ATOM 1546 CG2 THR A 107 -13.820 2.282 4.037 1.00 0.35 C ATOM 0 H THR A 107 -10.503 0.574 2.171 1.00 0.17 H new ATOM 0 HA THR A 107 -11.179 2.835 3.950 1.00 0.21 H new ATOM 0 HB THR A 107 -13.046 0.721 2.810 1.00 0.26 H new ATOM 0 HG1 THR A 107 -13.439 3.332 1.984 1.00 0.39 H new ATOM 0 HG21 THR A 107 -14.821 2.227 3.610 1.00 0.35 H new ATOM 0 HG22 THR A 107 -13.777 1.675 4.941 1.00 0.35 H new ATOM 0 HG23 THR A 107 -13.588 3.318 4.284 1.00 0.35 H new ATOM 1554 N PHE A 108 -11.315 1.369 5.970 1.00 0.28 N ATOM 1555 CA PHE A 108 -11.318 0.523 7.145 1.00 0.26 C ATOM 1556 C PHE A 108 -12.297 1.085 8.157 1.00 0.27 C ATOM 1557 O PHE A 108 -12.749 2.220 8.009 1.00 0.33 O ATOM 1558 CB PHE A 108 -9.919 0.415 7.768 1.00 0.29 C ATOM 1559 CG PHE A 108 -9.777 -0.753 8.706 1.00 0.29 C ATOM 1560 CD1 PHE A 108 -9.521 -0.546 10.051 1.00 0.34 C ATOM 1561 CD2 PHE A 108 -9.889 -2.052 8.243 1.00 0.31 C ATOM 1562 CE1 PHE A 108 -9.381 -1.612 10.916 1.00 0.39 C ATOM 1563 CE2 PHE A 108 -9.751 -3.123 9.104 1.00 0.36 C ATOM 1564 CZ PHE A 108 -9.530 -2.912 10.436 1.00 0.38 C ATOM 0 H PHE A 108 -11.366 2.369 6.165 1.00 0.28 H new ATOM 0 HA PHE A 108 -11.622 -0.481 6.848 1.00 0.26 H new ATOM 0 HB2 PHE A 108 -9.180 0.326 6.972 1.00 0.29 H new ATOM 0 HB3 PHE A 108 -9.697 1.335 8.308 1.00 0.29 H new ATOM 0 HD1 PHE A 108 -9.430 0.462 10.428 1.00 0.34 H new ATOM 0 HD2 PHE A 108 -10.087 -2.230 7.196 1.00 0.31 H new ATOM 0 HE1 PHE A 108 -9.157 -1.440 11.959 1.00 0.39 H new ATOM 0 HE2 PHE A 108 -9.818 -4.131 8.723 1.00 0.36 H new ATOM 0 HZ PHE A 108 -9.471 -3.750 11.115 1.00 0.38 H new ATOM 1574 N LYS A 109 -12.613 0.312 9.175 1.00 0.25 N ATOM 1575 CA LYS A 109 -13.514 0.769 10.218 1.00 0.26 C ATOM 1576 C LYS A 109 -12.881 1.918 10.995 1.00 0.27 C ATOM 1577 O LYS A 109 -13.512 2.946 11.233 1.00 0.33 O ATOM 1578 CB LYS A 109 -13.811 -0.379 11.178 1.00 0.30 C ATOM 1579 CG LYS A 109 -14.672 0.029 12.360 1.00 0.68 C ATOM 1580 CD LYS A 109 -14.230 -0.670 13.630 1.00 0.77 C ATOM 1581 CE LYS A 109 -15.057 -0.229 14.824 1.00 1.16 C ATOM 1582 NZ LYS A 109 -14.581 -0.844 16.090 1.00 1.94 N ATOM 0 H LYS A 109 -12.260 -0.636 9.305 1.00 0.25 H new ATOM 0 HA LYS A 109 -14.439 1.114 9.756 1.00 0.26 H new ATOM 0 HB2 LYS A 109 -14.312 -1.178 10.632 1.00 0.30 H new ATOM 0 HB3 LYS A 109 -12.870 -0.786 11.547 1.00 0.30 H new ATOM 0 HG2 LYS A 109 -14.616 1.109 12.498 1.00 0.68 H new ATOM 0 HG3 LYS A 109 -15.715 -0.212 12.154 1.00 0.68 H new ATOM 0 HD2 LYS A 109 -14.319 -1.749 13.503 1.00 0.77 H new ATOM 0 HD3 LYS A 109 -13.177 -0.457 13.816 1.00 0.77 H new ATOM 0 HE2 LYS A 109 -15.017 0.857 14.911 1.00 1.16 H new ATOM 0 HE3 LYS A 109 -16.101 -0.497 14.661 1.00 1.16 H new ATOM 0 HZ1 LYS A 109 -15.173 -0.516 16.879 1.00 1.94 H new ATOM 0 HZ2 LYS A 109 -14.643 -1.880 16.018 1.00 1.94 H new ATOM 0 HZ3 LYS A 109 -13.593 -0.567 16.260 1.00 1.94 H new ATOM 1596 N SER A 110 -11.616 1.730 11.349 1.00 0.28 N ATOM 1597 CA SER A 110 -10.892 2.656 12.205 1.00 0.32 C ATOM 1598 C SER A 110 -10.563 3.958 11.477 1.00 0.41 C ATOM 1599 O SER A 110 -9.742 3.963 10.560 1.00 0.50 O ATOM 1600 CB SER A 110 -9.594 2.005 12.677 1.00 0.36 C ATOM 1601 OG SER A 110 -8.878 2.855 13.553 1.00 1.03 O ATOM 0 H SER A 110 -11.063 0.927 11.048 1.00 0.28 H new ATOM 0 HA SER A 110 -11.531 2.893 13.056 1.00 0.32 H new ATOM 0 HB2 SER A 110 -9.819 1.066 13.182 1.00 0.36 H new ATOM 0 HB3 SER A 110 -8.973 1.762 11.815 1.00 0.36 H new ATOM 0 HG SER A 110 -8.053 2.410 13.839 1.00 1.03 H new ATOM 1607 N PRO A 111 -11.181 5.077 11.893 1.00 0.48 N ATOM 1608 CA PRO A 111 -10.891 6.415 11.355 1.00 0.59 C ATOM 1609 C PRO A 111 -9.447 6.860 11.612 1.00 0.67 C ATOM 1610 O PRO A 111 -9.067 7.988 11.298 1.00 1.09 O ATOM 1611 CB PRO A 111 -11.864 7.335 12.100 1.00 0.73 C ATOM 1612 CG PRO A 111 -12.916 6.434 12.645 1.00 0.77 C ATOM 1613 CD PRO A 111 -12.245 5.118 12.900 1.00 0.56 C ATOM 0 HA PRO A 111 -11.008 6.435 10.271 1.00 0.59 H new ATOM 0 HB2 PRO A 111 -11.359 7.878 12.899 1.00 0.73 H new ATOM 0 HB3 PRO A 111 -12.293 8.080 11.430 1.00 0.73 H new ATOM 0 HG2 PRO A 111 -13.339 6.840 13.564 1.00 0.77 H new ATOM 0 HG3 PRO A 111 -13.738 6.322 11.938 1.00 0.77 H new ATOM 0 HD2 PRO A 111 -11.843 5.062 13.912 1.00 0.56 H new ATOM 0 HD3 PRO A 111 -12.938 4.285 12.786 1.00 0.56 H new ATOM 1621 N GLY A 112 -8.643 5.970 12.177 1.00 0.44 N ATOM 1622 CA GLY A 112 -7.230 6.238 12.320 1.00 0.49 C ATOM 1623 C GLY A 112 -6.389 5.373 11.398 1.00 0.46 C ATOM 1624 O GLY A 112 -5.436 5.855 10.784 1.00 0.63 O ATOM 0 H GLY A 112 -8.947 5.066 12.539 1.00 0.44 H new ATOM 0 HA2 GLY A 112 -7.037 7.289 12.106 1.00 0.49 H new ATOM 0 HA3 GLY A 112 -6.931 6.063 13.353 1.00 0.49 H new ATOM 1628 N GLU A 113 -6.785 4.108 11.262 1.00 0.32 N ATOM 1629 CA GLU A 113 -5.997 3.104 10.546 1.00 0.30 C ATOM 1630 C GLU A 113 -5.662 3.532 9.115 1.00 0.31 C ATOM 1631 O GLU A 113 -4.498 3.533 8.715 1.00 0.34 O ATOM 1632 CB GLU A 113 -6.773 1.782 10.511 1.00 0.28 C ATOM 1633 CG GLU A 113 -6.009 0.622 9.895 1.00 0.32 C ATOM 1634 CD GLU A 113 -4.755 0.260 10.665 1.00 0.70 C ATOM 1635 OE1 GLU A 113 -4.775 -0.728 11.421 1.00 1.14 O ATOM 1636 OE2 GLU A 113 -3.739 0.974 10.525 1.00 0.76 O ATOM 0 H GLU A 113 -7.660 3.750 11.644 1.00 0.32 H new ATOM 0 HA GLU A 113 -5.055 2.986 11.081 1.00 0.30 H new ATOM 0 HB2 GLU A 113 -7.057 1.514 11.529 1.00 0.28 H new ATOM 0 HB3 GLU A 113 -7.696 1.931 9.951 1.00 0.28 H new ATOM 0 HG2 GLU A 113 -6.662 -0.249 9.845 1.00 0.32 H new ATOM 0 HG3 GLU A 113 -5.738 0.876 8.870 1.00 0.32 H new ATOM 1643 N ARG A 114 -6.679 3.924 8.357 1.00 0.35 N ATOM 1644 CA ARG A 114 -6.488 4.208 6.936 1.00 0.43 C ATOM 1645 C ARG A 114 -5.649 5.467 6.732 1.00 0.38 C ATOM 1646 O ARG A 114 -4.741 5.485 5.915 1.00 0.40 O ATOM 1647 CB ARG A 114 -7.820 4.365 6.195 1.00 0.61 C ATOM 1648 CG ARG A 114 -8.958 3.507 6.716 1.00 0.87 C ATOM 1649 CD ARG A 114 -9.768 4.252 7.759 1.00 0.65 C ATOM 1650 NE ARG A 114 -10.139 5.588 7.304 1.00 1.24 N ATOM 1651 CZ ARG A 114 -9.638 6.723 7.794 1.00 2.02 C ATOM 1652 NH1 ARG A 114 -8.762 6.696 8.784 1.00 2.55 N ATOM 1653 NH2 ARG A 114 -10.019 7.892 7.302 1.00 2.83 N ATOM 0 H ARG A 114 -7.633 4.052 8.694 1.00 0.35 H new ATOM 0 HA ARG A 114 -5.960 3.350 6.520 1.00 0.43 H new ATOM 0 HB2 ARG A 114 -8.123 5.411 6.245 1.00 0.61 H new ATOM 0 HB3 ARG A 114 -7.661 4.129 5.143 1.00 0.61 H new ATOM 0 HG2 ARG A 114 -9.605 3.214 5.889 1.00 0.87 H new ATOM 0 HG3 ARG A 114 -8.558 2.590 7.148 1.00 0.87 H new ATOM 0 HD2 ARG A 114 -10.669 3.685 7.993 1.00 0.65 H new ATOM 0 HD3 ARG A 114 -9.191 4.329 8.681 1.00 0.65 H new ATOM 0 HE ARG A 114 -10.831 5.659 6.558 1.00 1.24 H new ATOM 0 HH11 ARG A 114 -8.465 5.803 9.178 1.00 2.55 H new ATOM 0 HH12 ARG A 114 -8.383 7.568 9.154 1.00 2.55 H new ATOM 0 HH21 ARG A 114 -10.700 7.929 6.543 1.00 2.83 H new ATOM 0 HH22 ARG A 114 -9.632 8.756 7.682 1.00 2.83 H new ATOM 1667 N GLU A 115 -5.958 6.522 7.475 1.00 0.42 N ATOM 1668 CA GLU A 115 -5.229 7.780 7.358 1.00 0.48 C ATOM 1669 C GLU A 115 -3.761 7.618 7.728 1.00 0.37 C ATOM 1670 O GLU A 115 -2.894 8.277 7.153 1.00 0.40 O ATOM 1671 CB GLU A 115 -5.893 8.845 8.218 1.00 0.64 C ATOM 1672 CG GLU A 115 -7.125 9.432 7.557 1.00 1.24 C ATOM 1673 CD GLU A 115 -7.953 10.281 8.492 1.00 1.38 C ATOM 1674 OE1 GLU A 115 -7.589 11.450 8.737 1.00 1.49 O ATOM 1675 OE2 GLU A 115 -8.982 9.781 8.976 1.00 1.59 O ATOM 0 H GLU A 115 -6.709 6.532 8.166 1.00 0.42 H new ATOM 0 HA GLU A 115 -5.262 8.096 6.315 1.00 0.48 H new ATOM 0 HB2 GLU A 115 -6.170 8.412 9.179 1.00 0.64 H new ATOM 0 HB3 GLU A 115 -5.178 9.642 8.422 1.00 0.64 H new ATOM 0 HG2 GLU A 115 -6.819 10.036 6.703 1.00 1.24 H new ATOM 0 HG3 GLU A 115 -7.742 8.622 7.169 1.00 1.24 H new ATOM 1682 N SER A 116 -3.485 6.736 8.677 1.00 0.33 N ATOM 1683 CA SER A 116 -2.112 6.379 8.992 1.00 0.36 C ATOM 1684 C SER A 116 -1.451 5.730 7.778 1.00 0.31 C ATOM 1685 O SER A 116 -0.299 6.010 7.463 1.00 0.38 O ATOM 1686 CB SER A 116 -2.066 5.439 10.198 1.00 0.45 C ATOM 1687 OG SER A 116 -2.643 6.052 11.343 1.00 1.15 O ATOM 0 H SER A 116 -4.189 6.258 9.239 1.00 0.33 H new ATOM 0 HA SER A 116 -1.562 7.285 9.247 1.00 0.36 H new ATOM 0 HB2 SER A 116 -2.600 4.518 9.966 1.00 0.45 H new ATOM 0 HB3 SER A 116 -1.033 5.164 10.410 1.00 0.45 H new ATOM 0 HG SER A 116 -3.620 6.044 11.261 1.00 1.15 H new ATOM 1693 N TRP A 117 -2.207 4.889 7.077 1.00 0.25 N ATOM 1694 CA TRP A 117 -1.721 4.226 5.871 1.00 0.24 C ATOM 1695 C TRP A 117 -1.465 5.272 4.784 1.00 0.21 C ATOM 1696 O TRP A 117 -0.456 5.227 4.080 1.00 0.23 O ATOM 1697 CB TRP A 117 -2.767 3.214 5.384 1.00 0.26 C ATOM 1698 CG TRP A 117 -2.200 2.029 4.661 1.00 0.23 C ATOM 1699 CD1 TRP A 117 -1.947 0.804 5.200 1.00 0.23 C ATOM 1700 CD2 TRP A 117 -1.827 1.942 3.279 1.00 0.22 C ATOM 1701 NE1 TRP A 117 -1.443 -0.039 4.243 1.00 0.21 N ATOM 1702 CE2 TRP A 117 -1.353 0.635 3.059 1.00 0.21 C ATOM 1703 CE3 TRP A 117 -1.843 2.837 2.209 1.00 0.25 C ATOM 1704 CZ2 TRP A 117 -0.904 0.202 1.817 1.00 0.22 C ATOM 1705 CZ3 TRP A 117 -1.395 2.404 0.976 1.00 0.26 C ATOM 1706 CH2 TRP A 117 -0.930 1.097 0.789 1.00 0.24 C ATOM 0 H TRP A 117 -3.167 4.649 7.327 1.00 0.25 H new ATOM 0 HA TRP A 117 -0.792 3.701 6.092 1.00 0.24 H new ATOM 0 HB2 TRP A 117 -3.338 2.860 6.242 1.00 0.26 H new ATOM 0 HB3 TRP A 117 -3.468 3.725 4.724 1.00 0.26 H new ATOM 0 HD1 TRP A 117 -2.119 0.535 6.232 1.00 0.23 H new ATOM 0 HE1 TRP A 117 -1.178 -1.013 4.392 1.00 0.21 H new ATOM 0 HE3 TRP A 117 -2.198 3.848 2.342 1.00 0.25 H new ATOM 0 HZ2 TRP A 117 -0.547 -0.807 1.672 1.00 0.22 H new ATOM 0 HZ3 TRP A 117 -1.404 3.087 0.140 1.00 0.26 H new ATOM 0 HH2 TRP A 117 -0.585 0.792 -0.188 1.00 0.24 H new ATOM 1717 N GLN A 118 -2.391 6.225 4.695 1.00 0.20 N ATOM 1718 CA GLN A 118 -2.355 7.304 3.709 1.00 0.19 C ATOM 1719 C GLN A 118 -1.029 8.059 3.734 1.00 0.18 C ATOM 1720 O GLN A 118 -0.382 8.222 2.702 1.00 0.21 O ATOM 1721 CB GLN A 118 -3.519 8.268 3.984 1.00 0.19 C ATOM 1722 CG GLN A 118 -3.505 9.551 3.162 1.00 0.17 C ATOM 1723 CD GLN A 118 -3.572 9.321 1.666 1.00 0.33 C ATOM 1724 OE1 GLN A 118 -4.179 8.219 1.254 1.00 0.74 O flip ATOM 1725 NE2 GLN A 118 -3.073 10.129 0.887 1.00 0.19 N flip ATOM 0 H GLN A 118 -3.200 6.270 5.315 1.00 0.20 H new ATOM 0 HA GLN A 118 -2.454 6.865 2.716 1.00 0.19 H new ATOM 0 HB2 GLN A 118 -4.456 7.744 3.795 1.00 0.19 H new ATOM 0 HB3 GLN A 118 -3.509 8.532 5.041 1.00 0.19 H new ATOM 0 HG2 GLN A 118 -4.348 10.173 3.462 1.00 0.17 H new ATOM 0 HG3 GLN A 118 -2.598 10.110 3.394 1.00 0.17 H new ATOM 0 HE21 GLN A 118 -2.614 10.966 1.245 1.00 0.19 H new ATOM 0 HE22 GLN A 118 -3.118 9.963 -0.118 1.00 0.19 H new ATOM 1734 N GLU A 119 -0.627 8.517 4.908 1.00 0.19 N ATOM 1735 CA GLU A 119 0.609 9.276 5.039 1.00 0.22 C ATOM 1736 C GLU A 119 1.826 8.361 4.932 1.00 0.20 C ATOM 1737 O GLU A 119 2.881 8.763 4.440 1.00 0.26 O ATOM 1738 CB GLU A 119 0.628 10.018 6.372 1.00 0.27 C ATOM 1739 CG GLU A 119 0.550 9.088 7.566 1.00 0.27 C ATOM 1740 CD GLU A 119 0.534 9.825 8.885 1.00 0.39 C ATOM 1741 OE1 GLU A 119 -0.526 10.386 9.240 1.00 0.47 O ATOM 1742 OE2 GLU A 119 1.568 9.845 9.581 1.00 0.47 O ATOM 0 H GLU A 119 -1.135 8.378 5.782 1.00 0.19 H new ATOM 0 HA GLU A 119 0.653 10.000 4.225 1.00 0.22 H new ATOM 0 HB2 GLU A 119 1.540 10.611 6.439 1.00 0.27 H new ATOM 0 HB3 GLU A 119 -0.209 10.715 6.406 1.00 0.27 H new ATOM 0 HG2 GLU A 119 -0.349 8.477 7.486 1.00 0.27 H new ATOM 0 HG3 GLU A 119 1.401 8.407 7.546 1.00 0.27 H new ATOM 1749 N GLN A 120 1.669 7.126 5.382 1.00 0.17 N ATOM 1750 CA GLN A 120 2.766 6.178 5.412 1.00 0.18 C ATOM 1751 C GLN A 120 3.178 5.749 4.016 1.00 0.17 C ATOM 1752 O GLN A 120 4.370 5.709 3.702 1.00 0.18 O ATOM 1753 CB GLN A 120 2.389 4.959 6.244 1.00 0.19 C ATOM 1754 CG GLN A 120 2.574 5.173 7.733 1.00 0.23 C ATOM 1755 CD GLN A 120 4.013 5.480 8.093 1.00 0.27 C ATOM 1756 OE1 GLN A 120 4.939 5.041 7.253 1.00 0.32 O flip ATOM 1757 NE2 GLN A 120 4.289 6.136 9.095 1.00 0.25 N flip ATOM 0 H GLN A 120 0.785 6.757 5.733 1.00 0.17 H new ATOM 0 HA GLN A 120 3.619 6.678 5.871 1.00 0.18 H new ATOM 0 HB2 GLN A 120 1.349 4.700 6.047 1.00 0.19 H new ATOM 0 HB3 GLN A 120 2.994 4.110 5.927 1.00 0.19 H new ATOM 0 HG2 GLN A 120 1.936 5.993 8.062 1.00 0.23 H new ATOM 0 HG3 GLN A 120 2.249 4.281 8.269 1.00 0.23 H new ATOM 0 HE21 GLN A 120 3.546 6.455 9.716 1.00 0.25 H new ATOM 0 HE22 GLN A 120 5.261 6.361 9.305 1.00 0.25 H new ATOM 1766 N ILE A 121 2.197 5.434 3.185 1.00 0.17 N ATOM 1767 CA ILE A 121 2.472 4.984 1.833 1.00 0.18 C ATOM 1768 C ILE A 121 3.197 6.064 1.042 1.00 0.21 C ATOM 1769 O ILE A 121 4.198 5.790 0.381 1.00 0.21 O ATOM 1770 CB ILE A 121 1.181 4.554 1.093 1.00 0.19 C ATOM 1771 CG1 ILE A 121 1.504 4.059 -0.317 1.00 0.19 C ATOM 1772 CG2 ILE A 121 0.164 5.686 1.032 1.00 0.22 C ATOM 1773 CD1 ILE A 121 2.353 2.809 -0.334 1.00 0.19 C ATOM 0 H ILE A 121 1.206 5.482 3.424 1.00 0.17 H new ATOM 0 HA ILE A 121 3.117 4.109 1.910 1.00 0.18 H new ATOM 0 HB ILE A 121 0.739 3.736 1.662 1.00 0.19 H new ATOM 0 HG12 ILE A 121 0.572 3.864 -0.848 1.00 0.19 H new ATOM 0 HG13 ILE A 121 2.022 4.849 -0.862 1.00 0.19 H new ATOM 0 HG21 ILE A 121 -0.728 5.346 0.506 1.00 0.22 H new ATOM 0 HG22 ILE A 121 -0.105 5.988 2.044 1.00 0.22 H new ATOM 0 HG23 ILE A 121 0.596 6.535 0.503 1.00 0.22 H new ATOM 0 HD11 ILE A 121 2.544 2.513 -1.365 1.00 0.19 H new ATOM 0 HD12 ILE A 121 3.300 3.005 0.169 1.00 0.19 H new ATOM 0 HD13 ILE A 121 1.828 2.005 0.183 1.00 0.19 H new ATOM 1785 N GLN A 122 2.727 7.300 1.157 1.00 0.26 N ATOM 1786 CA GLN A 122 3.297 8.388 0.377 1.00 0.33 C ATOM 1787 C GLN A 122 4.702 8.727 0.862 1.00 0.27 C ATOM 1788 O GLN A 122 5.538 9.186 0.086 1.00 0.26 O ATOM 1789 CB GLN A 122 2.389 9.621 0.387 1.00 0.50 C ATOM 1790 CG GLN A 122 1.912 10.029 1.763 1.00 0.75 C ATOM 1791 CD GLN A 122 1.233 11.381 1.765 1.00 0.63 C ATOM 1792 OE1 GLN A 122 1.880 12.414 1.940 1.00 1.00 O ATOM 1793 NE2 GLN A 122 -0.075 11.386 1.574 1.00 0.39 N ATOM 0 H GLN A 122 1.962 7.571 1.775 1.00 0.26 H new ATOM 0 HA GLN A 122 3.373 8.052 -0.657 1.00 0.33 H new ATOM 0 HB2 GLN A 122 2.925 10.457 -0.062 1.00 0.50 H new ATOM 0 HB3 GLN A 122 1.521 9.424 -0.243 1.00 0.50 H new ATOM 0 HG2 GLN A 122 1.219 9.278 2.141 1.00 0.75 H new ATOM 0 HG3 GLN A 122 2.761 10.052 2.446 1.00 0.75 H new ATOM 0 HE21 GLN A 122 -0.573 10.507 1.433 1.00 0.39 H new ATOM 0 HE22 GLN A 122 -0.586 12.269 1.568 1.00 0.39 H new ATOM 1802 N SER A 123 4.962 8.476 2.141 1.00 0.27 N ATOM 1803 CA SER A 123 6.291 8.674 2.698 1.00 0.26 C ATOM 1804 C SER A 123 7.265 7.651 2.116 1.00 0.20 C ATOM 1805 O SER A 123 8.394 7.989 1.761 1.00 0.23 O ATOM 1806 CB SER A 123 6.250 8.567 4.224 1.00 0.30 C ATOM 1807 OG SER A 123 5.383 9.544 4.782 1.00 1.03 O ATOM 0 H SER A 123 4.270 8.136 2.808 1.00 0.27 H new ATOM 0 HA SER A 123 6.637 9.673 2.432 1.00 0.26 H new ATOM 0 HB2 SER A 123 5.914 7.571 4.513 1.00 0.30 H new ATOM 0 HB3 SER A 123 7.254 8.695 4.628 1.00 0.30 H new ATOM 0 HG SER A 123 4.484 9.435 4.408 1.00 1.03 H new ATOM 1813 N LEU A 124 6.810 6.405 2.001 1.00 0.16 N ATOM 1814 CA LEU A 124 7.610 5.348 1.392 1.00 0.13 C ATOM 1815 C LEU A 124 7.866 5.682 -0.075 1.00 0.14 C ATOM 1816 O LEU A 124 8.986 5.532 -0.570 1.00 0.17 O ATOM 1817 CB LEU A 124 6.890 3.990 1.538 1.00 0.13 C ATOM 1818 CG LEU A 124 7.631 2.741 1.013 1.00 0.15 C ATOM 1819 CD1 LEU A 124 7.447 2.578 -0.487 1.00 0.18 C ATOM 1820 CD2 LEU A 124 9.113 2.804 1.354 1.00 0.18 C ATOM 0 H LEU A 124 5.890 6.104 2.322 1.00 0.16 H new ATOM 0 HA LEU A 124 8.571 5.276 1.902 1.00 0.13 H new ATOM 0 HB2 LEU A 124 6.672 3.835 2.595 1.00 0.13 H new ATOM 0 HB3 LEU A 124 5.933 4.057 1.021 1.00 0.13 H new ATOM 0 HG LEU A 124 7.195 1.873 1.507 1.00 0.15 H new ATOM 0 HD11 LEU A 124 7.981 1.690 -0.825 1.00 0.18 H new ATOM 0 HD12 LEU A 124 6.386 2.472 -0.714 1.00 0.18 H new ATOM 0 HD13 LEU A 124 7.842 3.455 -0.999 1.00 0.18 H new ATOM 0 HD21 LEU A 124 9.612 1.913 0.973 1.00 0.18 H new ATOM 0 HD22 LEU A 124 9.554 3.690 0.897 1.00 0.18 H new ATOM 0 HD23 LEU A 124 9.236 2.854 2.436 1.00 0.18 H new ATOM 1832 N MET A 125 6.822 6.151 -0.752 1.00 0.15 N ATOM 1833 CA MET A 125 6.920 6.527 -2.157 1.00 0.18 C ATOM 1834 C MET A 125 8.016 7.553 -2.369 1.00 0.20 C ATOM 1835 O MET A 125 8.924 7.352 -3.164 1.00 0.24 O ATOM 1836 CB MET A 125 5.601 7.126 -2.630 1.00 0.21 C ATOM 1837 CG MET A 125 4.444 6.150 -2.657 1.00 0.21 C ATOM 1838 SD MET A 125 2.857 6.991 -2.743 1.00 0.26 S ATOM 1839 CE MET A 125 3.149 8.107 -4.109 1.00 0.25 C ATOM 0 H MET A 125 5.895 6.280 -0.347 1.00 0.15 H new ATOM 0 HA MET A 125 7.153 5.627 -2.726 1.00 0.18 H new ATOM 0 HB2 MET A 125 5.341 7.961 -1.979 1.00 0.21 H new ATOM 0 HB3 MET A 125 5.740 7.534 -3.631 1.00 0.21 H new ATOM 0 HG2 MET A 125 4.550 5.486 -3.515 1.00 0.21 H new ATOM 0 HG3 MET A 125 4.476 5.525 -1.764 1.00 0.21 H new ATOM 0 HE1 MET A 125 2.196 8.395 -4.554 1.00 0.25 H new ATOM 0 HE2 MET A 125 3.665 8.997 -3.748 1.00 0.25 H new ATOM 0 HE3 MET A 125 3.764 7.611 -4.859 1.00 0.25 H new ATOM 1849 N LYS A 126 7.950 8.624 -1.605 1.00 0.20 N ATOM 1850 CA LYS A 126 8.888 9.726 -1.748 1.00 0.26 C ATOM 1851 C LYS A 126 10.301 9.291 -1.384 1.00 0.29 C ATOM 1852 O LYS A 126 11.246 9.650 -2.060 1.00 0.41 O ATOM 1853 CB LYS A 126 8.439 10.895 -0.874 1.00 0.31 C ATOM 1854 CG LYS A 126 7.093 11.477 -1.285 1.00 0.32 C ATOM 1855 CD LYS A 126 7.183 12.229 -2.603 1.00 0.46 C ATOM 1856 CE LYS A 126 5.839 12.817 -3.003 1.00 0.60 C ATOM 1857 NZ LYS A 126 4.821 11.762 -3.249 1.00 1.34 N ATOM 0 H LYS A 126 7.253 8.758 -0.873 1.00 0.20 H new ATOM 0 HA LYS A 126 8.901 10.045 -2.790 1.00 0.26 H new ATOM 0 HB2 LYS A 126 8.381 10.563 0.162 1.00 0.31 H new ATOM 0 HB3 LYS A 126 9.194 11.680 -0.915 1.00 0.31 H new ATOM 0 HG2 LYS A 126 6.361 10.674 -1.374 1.00 0.32 H new ATOM 0 HG3 LYS A 126 6.735 12.150 -0.506 1.00 0.32 H new ATOM 0 HD2 LYS A 126 7.920 13.028 -2.518 1.00 0.46 H new ATOM 0 HD3 LYS A 126 7.533 11.555 -3.384 1.00 0.46 H new ATOM 0 HE2 LYS A 126 5.487 13.484 -2.217 1.00 0.60 H new ATOM 0 HE3 LYS A 126 5.960 13.420 -3.903 1.00 0.60 H new ATOM 0 HZ1 LYS A 126 3.989 12.183 -3.711 1.00 1.34 H new ATOM 0 HZ2 LYS A 126 5.224 11.027 -3.865 1.00 1.34 H new ATOM 0 HZ3 LYS A 126 4.536 11.337 -2.344 1.00 1.34 H new ATOM 1871 N PHE A 127 10.432 8.476 -0.354 1.00 0.25 N ATOM 1872 CA PHE A 127 11.745 8.053 0.128 1.00 0.30 C ATOM 1873 C PHE A 127 12.606 7.467 -0.994 1.00 0.35 C ATOM 1874 O PHE A 127 13.811 7.721 -1.063 1.00 0.43 O ATOM 1875 CB PHE A 127 11.566 7.018 1.241 1.00 0.28 C ATOM 1876 CG PHE A 127 12.848 6.381 1.701 1.00 0.33 C ATOM 1877 CD1 PHE A 127 13.149 5.070 1.365 1.00 0.39 C ATOM 1878 CD2 PHE A 127 13.753 7.098 2.467 1.00 0.41 C ATOM 1879 CE1 PHE A 127 14.329 4.487 1.789 1.00 0.45 C ATOM 1880 CE2 PHE A 127 14.931 6.521 2.893 1.00 0.47 C ATOM 1881 CZ PHE A 127 15.214 5.195 2.547 1.00 0.47 C ATOM 0 H PHE A 127 9.647 8.090 0.170 1.00 0.25 H new ATOM 0 HA PHE A 127 12.263 8.932 0.511 1.00 0.30 H new ATOM 0 HB2 PHE A 127 11.085 7.497 2.094 1.00 0.28 H new ATOM 0 HB3 PHE A 127 10.890 6.237 0.891 1.00 0.28 H new ATOM 0 HD1 PHE A 127 12.455 4.499 0.766 1.00 0.39 H new ATOM 0 HD2 PHE A 127 13.533 8.121 2.734 1.00 0.41 H new ATOM 0 HE1 PHE A 127 14.551 3.465 1.518 1.00 0.45 H new ATOM 0 HE2 PHE A 127 15.630 7.089 3.489 1.00 0.47 H new ATOM 0 HZ PHE A 127 16.132 4.733 2.880 1.00 0.47 H new ATOM 1891 N MET A 128 11.985 6.700 -1.876 1.00 0.36 N ATOM 1892 CA MET A 128 12.717 6.047 -2.953 1.00 0.46 C ATOM 1893 C MET A 128 12.467 6.715 -4.303 1.00 0.47 C ATOM 1894 O MET A 128 13.287 6.607 -5.212 1.00 0.57 O ATOM 1895 CB MET A 128 12.343 4.567 -3.026 1.00 0.54 C ATOM 1896 CG MET A 128 10.849 4.314 -3.129 1.00 0.53 C ATOM 1897 SD MET A 128 10.470 2.579 -3.412 1.00 1.04 S ATOM 1898 CE MET A 128 11.063 1.880 -1.880 1.00 1.63 C ATOM 0 H MET A 128 10.982 6.514 -1.869 1.00 0.36 H new ATOM 0 HA MET A 128 13.779 6.143 -2.728 1.00 0.46 H new ATOM 0 HB2 MET A 128 12.838 4.119 -3.888 1.00 0.54 H new ATOM 0 HB3 MET A 128 12.727 4.061 -2.140 1.00 0.54 H new ATOM 0 HG2 MET A 128 10.362 4.645 -2.212 1.00 0.53 H new ATOM 0 HG3 MET A 128 10.437 4.911 -3.942 1.00 0.53 H new ATOM 0 HE1 MET A 128 11.757 1.067 -2.095 1.00 1.63 H new ATOM 0 HE2 MET A 128 11.574 2.650 -1.303 1.00 1.63 H new ATOM 0 HE3 MET A 128 10.220 1.495 -1.305 1.00 1.63 H new