USER MOD reduce.3.24.130724 H: found=0, std=0, add=809, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 810 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 83 LYS NZ :NH3+ 157:sc= 1.67 (180deg=-0.414) USER MOD Set 1.2: A 87 SER OG : rot 50:sc= 0.809 USER MOD Set 2.1: A 36 CYS SG : rot -120:sc= -2.72! USER MOD Set 2.2: A 81 THR OG1 : rot 67:sc= 0.713 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 110:sc= -2.57! USER MOD Single : A 11 HIS : no HE2:sc= 0.169 K(o=0.17,f=-1.7!) USER MOD Single : A 16 SER OG : rot -165:sc= 0.706 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 MET CE :methyl -167:sc= -2.22! (180deg=-3.26!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 93:sc= 0.0286 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot -20:sc= 0.239 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 33 HIS : no HD1:sc= -0.882 X(o=-0.88,f=-0.44) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl 156:sc= -0.997 (180deg=-2.14) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 CYS SG : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -0.191 X(o=-0.19,f=-0.55) USER MOD Single : A 50 HIS : no HE2:sc= 1.01 K(o=1,f=-5.4!) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl 155:sc= -0.913 (180deg=-2.7!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 142:sc= 0.0203 USER MOD Single : A 69 CYS SG : rot -7:sc= 0.806 USER MOD Single : A 70 ASN : amide:sc= -0.136 X(o=-0.14,f=-0.0064) USER MOD Single : A 73 SER OG : rot 180:sc= 0.00407 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0.00865 USER MOD Single : A 76 GLN : amide:sc= -1.62! C(o=-1.6!,f=-6.4!) USER MOD Single : A 78 ASN : amide:sc= -0.628 K(o=-0.63,f=-4.2!) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot 30:sc= -0.119 USER MOD Single : A 91 LYS NZ :NH3+ -131:sc= 1.29 (180deg=0.72) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 MET CE :methyl -163:sc= -0.0267 (180deg=-0.357) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 85 N PHE A 7 14.800 -0.135 3.209 1.00 14.44 N ATOM 86 CA PHE A 7 13.859 -0.085 2.103 1.00 61.13 C ATOM 87 C PHE A 7 13.294 1.309 1.910 1.00 5.42 C ATOM 88 O PHE A 7 12.495 1.795 2.710 1.00 1.43 O ATOM 89 CB PHE A 7 12.726 -1.090 2.301 1.00 52.34 C ATOM 90 CG PHE A 7 12.464 -1.455 3.736 1.00 62.31 C ATOM 91 CD1 PHE A 7 13.124 -2.520 4.323 1.00 32.12 C ATOM 92 CD2 PHE A 7 11.560 -0.734 4.496 1.00 74.21 C ATOM 93 CE1 PHE A 7 12.881 -2.860 5.637 1.00 24.31 C ATOM 94 CE2 PHE A 7 11.314 -1.071 5.811 1.00 30.45 C ATOM 95 CZ PHE A 7 11.978 -2.135 6.384 1.00 75.42 C ATOM 0 HA PHE A 7 14.410 -0.353 1.202 1.00 61.13 H new ATOM 0 HB2 PHE A 7 11.813 -0.679 1.871 1.00 52.34 H new ATOM 0 HB3 PHE A 7 12.960 -1.998 1.745 1.00 52.34 H new ATOM 0 HD1 PHE A 7 13.837 -3.091 3.746 1.00 32.12 H new ATOM 0 HD2 PHE A 7 11.040 0.103 4.054 1.00 74.21 H new ATOM 0 HE1 PHE A 7 13.400 -3.696 6.082 1.00 24.31 H new ATOM 0 HE2 PHE A 7 10.602 -0.502 6.391 1.00 30.45 H new ATOM 0 HZ PHE A 7 11.791 -2.399 7.414 1.00 75.42 H new ATOM 105 N LYS A 8 13.734 1.947 0.845 1.00 71.55 N ATOM 106 CA LYS A 8 13.242 3.254 0.465 1.00 44.31 C ATOM 107 C LYS A 8 12.258 3.119 -0.679 1.00 73.23 C ATOM 108 O LYS A 8 11.588 4.067 -1.075 1.00 25.24 O ATOM 109 CB LYS A 8 14.419 4.119 0.053 1.00 22.24 C ATOM 110 CG LYS A 8 15.284 3.499 -1.034 1.00 41.31 C ATOM 111 CD LYS A 8 16.589 4.258 -1.212 1.00 45.41 C ATOM 112 CE LYS A 8 16.348 5.698 -1.627 1.00 33.11 C ATOM 113 NZ LYS A 8 17.620 6.435 -1.817 1.00 51.10 N ATOM 0 H LYS A 8 14.445 1.572 0.217 1.00 71.55 H new ATOM 0 HA LYS A 8 12.729 3.719 1.307 1.00 44.31 H new ATOM 0 HB2 LYS A 8 14.046 5.082 -0.297 1.00 22.24 H new ATOM 0 HB3 LYS A 8 15.037 4.316 0.929 1.00 22.24 H new ATOM 0 HG2 LYS A 8 15.498 2.461 -0.781 1.00 41.31 H new ATOM 0 HG3 LYS A 8 14.736 3.491 -1.976 1.00 41.31 H new ATOM 0 HD2 LYS A 8 17.152 4.237 -0.279 1.00 45.41 H new ATOM 0 HD3 LYS A 8 17.200 3.760 -1.964 1.00 45.41 H new ATOM 0 HE2 LYS A 8 15.774 5.718 -2.553 1.00 33.11 H new ATOM 0 HE3 LYS A 8 15.747 6.199 -0.868 1.00 33.11 H new ATOM 0 HZ1 LYS A 8 17.415 7.414 -2.100 1.00 51.10 H new ATOM 0 HZ2 LYS A 8 18.156 6.437 -0.926 1.00 51.10 H new ATOM 0 HZ3 LYS A 8 18.183 5.971 -2.559 1.00 51.10 H new ATOM 127 N SER A 9 12.200 1.921 -1.209 1.00 52.12 N ATOM 128 CA SER A 9 11.302 1.602 -2.308 1.00 12.25 C ATOM 129 C SER A 9 10.038 0.930 -1.782 1.00 15.12 C ATOM 130 O SER A 9 10.112 0.090 -0.888 1.00 4.22 O ATOM 131 CB SER A 9 12.010 0.681 -3.295 1.00 11.30 C ATOM 132 OG SER A 9 13.322 1.144 -3.555 1.00 23.43 O ATOM 0 H SER A 9 12.771 1.136 -0.895 1.00 52.12 H new ATOM 0 HA SER A 9 11.019 2.525 -2.814 1.00 12.25 H new ATOM 0 HB2 SER A 9 12.049 -0.331 -2.893 1.00 11.30 H new ATOM 0 HB3 SER A 9 11.444 0.633 -4.226 1.00 11.30 H new ATOM 0 HG SER A 9 13.971 0.532 -3.150 1.00 23.43 H new ATOM 138 N PHE A 10 8.884 1.287 -2.344 1.00 62.44 N ATOM 139 CA PHE A 10 7.608 0.743 -1.880 1.00 2.04 C ATOM 140 C PHE A 10 7.575 -0.781 -2.011 1.00 31.13 C ATOM 141 O PHE A 10 7.129 -1.475 -1.102 1.00 15.12 O ATOM 142 CB PHE A 10 6.428 1.375 -2.638 1.00 34.55 C ATOM 143 CG PHE A 10 6.318 0.980 -4.088 1.00 52.31 C ATOM 144 CD1 PHE A 10 7.110 1.582 -5.051 1.00 15.32 C ATOM 145 CD2 PHE A 10 5.413 0.005 -4.483 1.00 71.54 C ATOM 146 CE1 PHE A 10 7.001 1.222 -6.379 1.00 4.44 C ATOM 147 CE2 PHE A 10 5.302 -0.359 -5.810 1.00 41.13 C ATOM 148 CZ PHE A 10 6.097 0.249 -6.759 1.00 13.12 C ATOM 0 H PHE A 10 8.806 1.947 -3.118 1.00 62.44 H new ATOM 0 HA PHE A 10 7.509 0.995 -0.824 1.00 2.04 H new ATOM 0 HB2 PHE A 10 5.502 1.102 -2.131 1.00 34.55 H new ATOM 0 HB3 PHE A 10 6.516 2.460 -2.578 1.00 34.55 H new ATOM 0 HD1 PHE A 10 7.821 2.341 -4.760 1.00 15.32 H new ATOM 0 HD2 PHE A 10 4.788 -0.475 -3.744 1.00 71.54 H new ATOM 0 HE1 PHE A 10 7.622 1.701 -7.121 1.00 4.44 H new ATOM 0 HE2 PHE A 10 4.593 -1.119 -6.105 1.00 41.13 H new ATOM 0 HZ PHE A 10 6.013 -0.035 -7.798 1.00 13.12 H new ATOM 158 N HIS A 11 8.077 -1.298 -3.131 1.00 62.22 N ATOM 159 CA HIS A 11 8.070 -2.738 -3.375 1.00 33.24 C ATOM 160 C HIS A 11 8.977 -3.458 -2.378 1.00 54.32 C ATOM 161 O HIS A 11 8.754 -4.617 -2.044 1.00 71.41 O ATOM 162 CB HIS A 11 8.482 -3.065 -4.829 1.00 34.33 C ATOM 163 CG HIS A 11 9.907 -2.730 -5.190 1.00 33.42 C ATOM 164 ND1 HIS A 11 10.253 -1.698 -6.040 1.00 62.05 N ATOM 165 CD2 HIS A 11 11.074 -3.316 -4.827 1.00 71.23 C ATOM 166 CE1 HIS A 11 11.566 -1.668 -6.177 1.00 1.42 C ATOM 167 NE2 HIS A 11 12.087 -2.638 -5.451 1.00 62.13 N ATOM 0 H HIS A 11 8.492 -0.744 -3.880 1.00 62.22 H new ATOM 0 HA HIS A 11 7.050 -3.096 -3.232 1.00 33.24 H new ATOM 0 HB2 HIS A 11 8.322 -4.129 -5.003 1.00 34.33 H new ATOM 0 HB3 HIS A 11 7.818 -2.528 -5.506 1.00 34.33 H new ATOM 0 HD1 HIS A 11 9.598 -1.060 -6.491 1.00 62.05 H new ATOM 0 HD2 HIS A 11 11.185 -4.163 -4.166 1.00 71.23 H new ATOM 0 HE1 HIS A 11 12.121 -0.966 -6.782 1.00 1.42 H new ATOM 176 N ASP A 12 9.997 -2.753 -1.909 1.00 62.21 N ATOM 177 CA ASP A 12 10.944 -3.310 -0.955 1.00 23.12 C ATOM 178 C ASP A 12 10.356 -3.246 0.447 1.00 22.44 C ATOM 179 O ASP A 12 10.406 -4.216 1.205 1.00 62.22 O ATOM 180 CB ASP A 12 12.253 -2.527 -1.008 1.00 50.11 C ATOM 181 CG ASP A 12 13.448 -3.339 -0.554 1.00 13.31 C ATOM 182 OD1 ASP A 12 13.516 -3.712 0.633 1.00 32.23 O ATOM 183 OD2 ASP A 12 14.327 -3.609 -1.400 1.00 72.52 O ATOM 0 H ASP A 12 10.190 -1.788 -2.176 1.00 62.21 H new ATOM 0 HA ASP A 12 11.143 -4.351 -1.211 1.00 23.12 H new ATOM 0 HB2 ASP A 12 12.422 -2.181 -2.028 1.00 50.11 H new ATOM 0 HB3 ASP A 12 12.165 -1.640 -0.381 1.00 50.11 H new ATOM 188 N PHE A 13 9.783 -2.087 0.766 1.00 32.43 N ATOM 189 CA PHE A 13 9.171 -1.844 2.068 1.00 11.13 C ATOM 190 C PHE A 13 8.097 -2.888 2.348 1.00 34.13 C ATOM 191 O PHE A 13 8.101 -3.532 3.400 1.00 61.34 O ATOM 192 CB PHE A 13 8.551 -0.439 2.103 1.00 0.13 C ATOM 193 CG PHE A 13 8.384 0.134 3.486 1.00 15.34 C ATOM 194 CD1 PHE A 13 7.658 -0.539 4.457 1.00 52.44 C ATOM 195 CD2 PHE A 13 8.952 1.356 3.810 1.00 44.21 C ATOM 196 CE1 PHE A 13 7.504 -0.007 5.722 1.00 51.03 C ATOM 197 CE2 PHE A 13 8.801 1.892 5.075 1.00 3.43 C ATOM 198 CZ PHE A 13 8.076 1.211 6.031 1.00 51.12 C ATOM 0 H PHE A 13 9.731 -1.292 0.129 1.00 32.43 H new ATOM 0 HA PHE A 13 9.942 -1.914 2.835 1.00 11.13 H new ATOM 0 HB2 PHE A 13 9.176 0.235 1.517 1.00 0.13 H new ATOM 0 HB3 PHE A 13 7.576 -0.473 1.617 1.00 0.13 H new ATOM 0 HD1 PHE A 13 7.207 -1.492 4.221 1.00 52.44 H new ATOM 0 HD2 PHE A 13 9.519 1.895 3.066 1.00 44.21 H new ATOM 0 HE1 PHE A 13 6.937 -0.543 6.469 1.00 51.03 H new ATOM 0 HE2 PHE A 13 9.251 2.844 5.315 1.00 3.43 H new ATOM 0 HZ PHE A 13 7.956 1.630 7.019 1.00 51.12 H new ATOM 208 N VAL A 14 7.188 -3.055 1.391 1.00 50.45 N ATOM 209 CA VAL A 14 6.106 -4.024 1.517 1.00 73.31 C ATOM 210 C VAL A 14 6.661 -5.425 1.751 1.00 63.41 C ATOM 211 O VAL A 14 6.261 -6.100 2.691 1.00 55.04 O ATOM 212 CB VAL A 14 5.201 -4.032 0.265 1.00 44.32 C ATOM 213 CG1 VAL A 14 4.147 -5.128 0.360 1.00 20.03 C ATOM 214 CG2 VAL A 14 4.536 -2.678 0.082 1.00 73.13 C ATOM 0 H VAL A 14 7.181 -2.529 0.517 1.00 50.45 H new ATOM 0 HA VAL A 14 5.505 -3.725 2.376 1.00 73.31 H new ATOM 0 HB VAL A 14 5.828 -4.236 -0.603 1.00 44.32 H new ATOM 0 HG11 VAL A 14 3.523 -5.112 -0.534 1.00 20.03 H new ATOM 0 HG12 VAL A 14 4.637 -6.098 0.443 1.00 20.03 H new ATOM 0 HG13 VAL A 14 3.525 -4.960 1.239 1.00 20.03 H new ATOM 0 HG21 VAL A 14 3.902 -2.701 -0.804 1.00 73.13 H new ATOM 0 HG22 VAL A 14 3.928 -2.450 0.957 1.00 73.13 H new ATOM 0 HG23 VAL A 14 5.301 -1.910 -0.038 1.00 73.13 H new ATOM 224 N ALA A 15 7.617 -5.831 0.923 1.00 43.24 N ATOM 225 CA ALA A 15 8.185 -7.171 1.003 1.00 31.23 C ATOM 226 C ALA A 15 8.800 -7.447 2.375 1.00 5.13 C ATOM 227 O ALA A 15 8.818 -8.588 2.837 1.00 2.14 O ATOM 228 CB ALA A 15 9.226 -7.366 -0.089 1.00 24.33 C ATOM 0 H ALA A 15 8.016 -5.249 0.186 1.00 43.24 H new ATOM 0 HA ALA A 15 7.372 -7.883 0.858 1.00 31.23 H new ATOM 0 HB1 ALA A 15 9.643 -8.371 -0.019 1.00 24.33 H new ATOM 0 HB2 ALA A 15 8.759 -7.234 -1.065 1.00 24.33 H new ATOM 0 HB3 ALA A 15 10.023 -6.633 0.033 1.00 24.33 H new ATOM 234 N SER A 16 9.310 -6.403 3.017 1.00 43.50 N ATOM 235 CA SER A 16 9.929 -6.542 4.326 1.00 50.14 C ATOM 236 C SER A 16 8.875 -6.502 5.432 1.00 42.23 C ATOM 237 O SER A 16 8.816 -7.392 6.278 1.00 54.00 O ATOM 238 CB SER A 16 10.955 -5.430 4.544 1.00 43.32 C ATOM 239 OG SER A 16 11.919 -5.795 5.520 1.00 52.31 O ATOM 0 H SER A 16 9.306 -5.451 2.651 1.00 43.50 H new ATOM 0 HA SER A 16 10.434 -7.507 4.364 1.00 50.14 H new ATOM 0 HB2 SER A 16 11.456 -5.206 3.602 1.00 43.32 H new ATOM 0 HB3 SER A 16 10.445 -4.519 4.858 1.00 43.32 H new ATOM 0 HG SER A 16 12.412 -4.998 5.806 1.00 52.31 H new ATOM 245 N TYR A 17 8.029 -5.476 5.404 1.00 42.41 N ATOM 246 CA TYR A 17 7.057 -5.249 6.469 1.00 15.32 C ATOM 247 C TYR A 17 5.953 -6.301 6.443 1.00 53.34 C ATOM 248 O TYR A 17 5.394 -6.656 7.483 1.00 70.14 O ATOM 249 CB TYR A 17 6.455 -3.845 6.345 1.00 1.00 C ATOM 250 CG TYR A 17 5.483 -3.498 7.453 1.00 41.24 C ATOM 251 CD1 TYR A 17 5.941 -3.080 8.695 1.00 3.04 C ATOM 252 CD2 TYR A 17 4.112 -3.591 7.254 1.00 3.10 C ATOM 253 CE1 TYR A 17 5.057 -2.768 9.710 1.00 42.44 C ATOM 254 CE2 TYR A 17 3.223 -3.278 8.264 1.00 50.14 C ATOM 255 CZ TYR A 17 3.700 -2.868 9.490 1.00 25.14 C ATOM 256 OH TYR A 17 2.816 -2.560 10.499 1.00 70.22 O ATOM 0 H TYR A 17 7.997 -4.787 4.653 1.00 42.41 H new ATOM 0 HA TYR A 17 7.577 -5.331 7.424 1.00 15.32 H new ATOM 0 HB2 TYR A 17 7.262 -3.113 6.340 1.00 1.00 H new ATOM 0 HB3 TYR A 17 5.943 -3.762 5.386 1.00 1.00 H new ATOM 0 HD1 TYR A 17 7.003 -2.997 8.870 1.00 3.04 H new ATOM 0 HD2 TYR A 17 3.735 -3.913 6.295 1.00 3.10 H new ATOM 0 HE1 TYR A 17 5.428 -2.447 10.672 1.00 42.44 H new ATOM 0 HE2 TYR A 17 2.159 -3.354 8.094 1.00 50.14 H new ATOM 0 HH TYR A 17 1.898 -2.682 10.178 1.00 70.22 H new ATOM 266 N MET A 18 5.645 -6.802 5.254 1.00 62.12 N ATOM 267 CA MET A 18 4.587 -7.791 5.099 1.00 21.22 C ATOM 268 C MET A 18 4.944 -9.066 5.852 1.00 20.23 C ATOM 269 O MET A 18 4.062 -9.776 6.316 1.00 63.44 O ATOM 270 CB MET A 18 4.330 -8.104 3.623 1.00 64.40 C ATOM 271 CG MET A 18 2.871 -8.408 3.298 1.00 64.42 C ATOM 272 SD MET A 18 1.875 -6.925 2.998 1.00 22.52 S ATOM 273 CE MET A 18 1.816 -6.162 4.618 1.00 71.11 C ATOM 0 H MET A 18 6.111 -6.541 4.385 1.00 62.12 H new ATOM 0 HA MET A 18 3.672 -7.373 5.519 1.00 21.22 H new ATOM 0 HB2 MET A 18 4.657 -7.257 3.020 1.00 64.40 H new ATOM 0 HB3 MET A 18 4.942 -8.958 3.331 1.00 64.40 H new ATOM 0 HG2 MET A 18 2.829 -9.049 2.417 1.00 64.42 H new ATOM 0 HG3 MET A 18 2.433 -8.970 4.123 1.00 64.42 H new ATOM 0 HE1 MET A 18 1.055 -5.381 4.625 1.00 71.11 H new ATOM 0 HE2 MET A 18 1.570 -6.915 5.366 1.00 71.11 H new ATOM 0 HE3 MET A 18 2.787 -5.725 4.850 1.00 71.11 H new ATOM 283 N LYS A 19 6.242 -9.349 5.976 1.00 63.04 N ATOM 284 CA LYS A 19 6.701 -10.502 6.750 1.00 41.31 C ATOM 285 C LYS A 19 6.249 -10.382 8.201 1.00 51.52 C ATOM 286 O LYS A 19 5.724 -11.333 8.783 1.00 72.43 O ATOM 287 CB LYS A 19 8.226 -10.623 6.713 1.00 41.52 C ATOM 288 CG LYS A 19 8.800 -10.921 5.338 1.00 45.53 C ATOM 289 CD LYS A 19 10.302 -11.140 5.421 1.00 74.12 C ATOM 290 CE LYS A 19 10.907 -11.441 4.062 1.00 44.32 C ATOM 291 NZ LYS A 19 12.369 -11.705 4.153 1.00 64.13 N ATOM 0 H LYS A 19 6.989 -8.799 5.553 1.00 63.04 H new ATOM 0 HA LYS A 19 6.264 -11.393 6.299 1.00 41.31 H new ATOM 0 HB2 LYS A 19 8.661 -9.694 7.081 1.00 41.52 H new ATOM 0 HB3 LYS A 19 8.532 -11.412 7.400 1.00 41.52 H new ATOM 0 HG2 LYS A 19 8.320 -11.807 4.922 1.00 45.53 H new ATOM 0 HG3 LYS A 19 8.584 -10.094 4.661 1.00 45.53 H new ATOM 0 HD2 LYS A 19 10.775 -10.252 5.840 1.00 74.12 H new ATOM 0 HD3 LYS A 19 10.511 -11.965 6.102 1.00 74.12 H new ATOM 0 HE2 LYS A 19 10.408 -12.306 3.626 1.00 44.32 H new ATOM 0 HE3 LYS A 19 10.731 -10.600 3.391 1.00 44.32 H new ATOM 0 HZ1 LYS A 19 12.745 -11.906 3.205 1.00 64.13 H new ATOM 0 HZ2 LYS A 19 12.849 -10.870 4.546 1.00 64.13 H new ATOM 0 HZ3 LYS A 19 12.536 -12.523 4.773 1.00 64.13 H new ATOM 305 N THR A 20 6.450 -9.201 8.771 1.00 0.12 N ATOM 306 CA THR A 20 6.061 -8.924 10.145 1.00 42.45 C ATOM 307 C THR A 20 4.545 -9.053 10.311 1.00 70.41 C ATOM 308 O THR A 20 4.051 -9.516 11.340 1.00 24.21 O ATOM 309 CB THR A 20 6.505 -7.504 10.547 1.00 51.12 C ATOM 310 OG1 THR A 20 7.784 -7.221 9.961 1.00 73.15 O ATOM 311 CG2 THR A 20 6.598 -7.371 12.060 1.00 72.04 C ATOM 0 H THR A 20 6.886 -8.411 8.295 1.00 0.12 H new ATOM 0 HA THR A 20 6.550 -9.652 10.792 1.00 42.45 H new ATOM 0 HB THR A 20 5.763 -6.793 10.184 1.00 51.12 H new ATOM 0 HG1 THR A 20 7.657 -6.772 9.099 1.00 73.15 H new ATOM 0 HG21 THR A 20 6.913 -6.360 12.318 1.00 72.04 H new ATOM 0 HG22 THR A 20 5.623 -7.571 12.503 1.00 72.04 H new ATOM 0 HG23 THR A 20 7.325 -8.087 12.444 1.00 72.04 H new ATOM 319 N TYR A 21 3.816 -8.652 9.281 1.00 75.14 N ATOM 320 CA TYR A 21 2.361 -8.728 9.288 1.00 54.44 C ATOM 321 C TYR A 21 1.901 -10.169 9.040 1.00 22.30 C ATOM 322 O TYR A 21 0.860 -10.602 9.538 1.00 33.11 O ATOM 323 CB TYR A 21 1.801 -7.780 8.223 1.00 71.23 C ATOM 324 CG TYR A 21 0.296 -7.644 8.232 1.00 0.45 C ATOM 325 CD1 TYR A 21 -0.368 -7.099 9.324 1.00 53.42 C ATOM 326 CD2 TYR A 21 -0.460 -8.050 7.140 1.00 71.10 C ATOM 327 CE1 TYR A 21 -1.743 -6.965 9.328 1.00 34.14 C ATOM 328 CE2 TYR A 21 -1.835 -7.921 7.137 1.00 54.15 C ATOM 329 CZ TYR A 21 -2.473 -7.377 8.232 1.00 60.21 C ATOM 330 OH TYR A 21 -3.843 -7.247 8.231 1.00 2.35 O ATOM 0 H TYR A 21 4.211 -8.268 8.423 1.00 75.14 H new ATOM 0 HA TYR A 21 1.984 -8.423 10.264 1.00 54.44 H new ATOM 0 HB2 TYR A 21 2.243 -6.794 8.365 1.00 71.23 H new ATOM 0 HB3 TYR A 21 2.115 -8.132 7.240 1.00 71.23 H new ATOM 0 HD1 TYR A 21 0.200 -6.775 10.184 1.00 53.42 H new ATOM 0 HD2 TYR A 21 0.036 -8.474 6.279 1.00 71.10 H new ATOM 0 HE1 TYR A 21 -2.244 -6.540 10.185 1.00 34.14 H new ATOM 0 HE2 TYR A 21 -2.408 -8.245 6.281 1.00 54.15 H new ATOM 0 HH TYR A 21 -4.203 -7.584 7.384 1.00 2.35 H new ATOM 340 N SER A 22 2.717 -10.913 8.300 1.00 33.40 N ATOM 341 CA SER A 22 2.444 -12.311 7.972 1.00 54.11 C ATOM 342 C SER A 22 2.522 -13.195 9.215 1.00 40.12 C ATOM 343 O SER A 22 2.141 -14.362 9.188 1.00 45.40 O ATOM 344 CB SER A 22 3.439 -12.794 6.906 1.00 3.42 C ATOM 345 OG SER A 22 3.248 -14.160 6.581 1.00 22.11 O ATOM 0 H SER A 22 3.591 -10.563 7.908 1.00 33.40 H new ATOM 0 HA SER A 22 1.430 -12.383 7.578 1.00 54.11 H new ATOM 0 HB2 SER A 22 3.329 -12.189 6.006 1.00 3.42 H new ATOM 0 HB3 SER A 22 4.457 -12.646 7.267 1.00 3.42 H new ATOM 0 HG SER A 22 2.761 -14.604 7.306 1.00 22.11 H new ATOM 351 N ARG A 23 3.020 -12.638 10.307 1.00 53.50 N ATOM 352 CA ARG A 23 3.115 -13.377 11.553 1.00 62.43 C ATOM 353 C ARG A 23 1.758 -13.453 12.243 1.00 53.24 C ATOM 354 O ARG A 23 1.578 -14.187 13.208 1.00 60.15 O ATOM 355 CB ARG A 23 4.137 -12.723 12.474 1.00 71.33 C ATOM 356 CG ARG A 23 5.563 -12.708 11.925 1.00 61.31 C ATOM 357 CD ARG A 23 6.069 -14.104 11.561 1.00 74.02 C ATOM 358 NE ARG A 23 5.459 -14.616 10.329 1.00 10.51 N ATOM 359 CZ ARG A 23 5.647 -15.848 9.856 1.00 25.44 C ATOM 360 NH1 ARG A 23 6.474 -16.684 10.471 1.00 54.32 N ATOM 361 NH2 ARG A 23 5.014 -16.235 8.754 1.00 2.41 N ATOM 0 H ARG A 23 3.364 -11.679 10.355 1.00 53.50 H new ATOM 0 HA ARG A 23 3.440 -14.392 11.326 1.00 62.43 H new ATOM 0 HB2 ARG A 23 3.826 -11.697 12.672 1.00 71.33 H new ATOM 0 HB3 ARG A 23 4.134 -13.247 13.430 1.00 71.33 H new ATOM 0 HG2 ARG A 23 5.601 -12.070 11.042 1.00 61.31 H new ATOM 0 HG3 ARG A 23 6.229 -12.266 12.666 1.00 61.31 H new ATOM 0 HD2 ARG A 23 7.152 -14.075 11.442 1.00 74.02 H new ATOM 0 HD3 ARG A 23 5.856 -14.790 12.381 1.00 74.02 H new ATOM 0 HE ARG A 23 4.852 -13.989 9.801 1.00 10.51 H new ATOM 0 HH11 ARG A 23 6.970 -16.385 11.311 1.00 54.32 H new ATOM 0 HH12 ARG A 23 6.614 -17.625 10.104 1.00 54.32 H new ATOM 0 HH21 ARG A 23 4.387 -15.590 8.273 1.00 2.41 H new ATOM 0 HH22 ARG A 23 5.155 -17.177 8.389 1.00 2.41 H new ATOM 375 N ARG A 24 0.814 -12.679 11.740 1.00 34.43 N ATOM 376 CA ARG A 24 -0.534 -12.656 12.295 1.00 5.30 C ATOM 377 C ARG A 24 -1.532 -13.411 11.413 1.00 73.12 C ATOM 378 O ARG A 24 -2.575 -13.857 11.892 1.00 12.43 O ATOM 379 CB ARG A 24 -1.007 -11.212 12.486 1.00 4.44 C ATOM 380 CG ARG A 24 -0.266 -10.467 13.582 1.00 74.32 C ATOM 381 CD ARG A 24 -0.503 -11.104 14.942 1.00 40.41 C ATOM 382 NE ARG A 24 0.205 -10.400 16.008 1.00 54.41 N ATOM 383 CZ ARG A 24 -0.108 -10.500 17.297 1.00 63.14 C ATOM 384 NH1 ARG A 24 -1.116 -11.267 17.678 1.00 31.42 N ATOM 385 NH2 ARG A 24 0.577 -9.817 18.201 1.00 2.40 N ATOM 0 H ARG A 24 0.953 -12.055 10.945 1.00 34.43 H new ATOM 0 HA ARG A 24 -0.492 -13.160 13.261 1.00 5.30 H new ATOM 0 HB2 ARG A 24 -0.887 -10.672 11.547 1.00 4.44 H new ATOM 0 HB3 ARG A 24 -2.072 -11.215 12.717 1.00 4.44 H new ATOM 0 HG2 ARG A 24 0.802 -10.461 13.362 1.00 74.32 H new ATOM 0 HG3 ARG A 24 -0.593 -9.428 13.603 1.00 74.32 H new ATOM 0 HD2 ARG A 24 -1.571 -11.109 15.158 1.00 40.41 H new ATOM 0 HD3 ARG A 24 -0.178 -12.144 14.917 1.00 40.41 H new ATOM 0 HE ARG A 24 0.985 -9.796 15.749 1.00 54.41 H new ATOM 0 HH11 ARG A 24 -1.655 -11.783 16.983 1.00 31.42 H new ATOM 0 HH12 ARG A 24 -1.354 -11.342 18.667 1.00 31.42 H new ATOM 0 HH21 ARG A 24 1.346 -9.213 17.909 1.00 2.40 H new ATOM 0 HH22 ARG A 24 0.336 -9.895 19.189 1.00 2.40 H new ATOM 399 N LEU A 25 -1.220 -13.557 10.133 1.00 41.23 N ATOM 400 CA LEU A 25 -2.133 -14.182 9.200 1.00 51.32 C ATOM 401 C LEU A 25 -1.585 -15.504 8.672 1.00 12.32 C ATOM 402 O LEU A 25 -0.437 -15.864 8.930 1.00 50.03 O ATOM 403 CB LEU A 25 -2.443 -13.219 8.047 1.00 42.45 C ATOM 404 CG LEU A 25 -1.254 -12.468 7.432 1.00 64.44 C ATOM 405 CD1 LEU A 25 -0.365 -13.402 6.631 1.00 3.34 C ATOM 406 CD2 LEU A 25 -1.749 -11.333 6.550 1.00 23.14 C ATOM 0 H LEU A 25 -0.339 -13.249 9.721 1.00 41.23 H new ATOM 0 HA LEU A 25 -3.057 -14.408 9.732 1.00 51.32 H new ATOM 0 HB2 LEU A 25 -2.934 -13.785 7.255 1.00 42.45 H new ATOM 0 HB3 LEU A 25 -3.162 -12.482 8.404 1.00 42.45 H new ATOM 0 HG LEU A 25 -0.660 -12.055 8.248 1.00 64.44 H new ATOM 0 HD11 LEU A 25 0.467 -12.839 6.209 1.00 3.34 H new ATOM 0 HD12 LEU A 25 0.021 -14.186 7.283 1.00 3.34 H new ATOM 0 HD13 LEU A 25 -0.944 -13.853 5.825 1.00 3.34 H new ATOM 0 HD21 LEU A 25 -0.896 -10.808 6.120 1.00 23.14 H new ATOM 0 HD22 LEU A 25 -2.368 -11.738 5.749 1.00 23.14 H new ATOM 0 HD23 LEU A 25 -2.339 -10.638 7.148 1.00 23.14 H new ATOM 418 N GLU A 26 -2.427 -16.223 7.951 1.00 33.43 N ATOM 419 CA GLU A 26 -2.045 -17.470 7.323 1.00 1.24 C ATOM 420 C GLU A 26 -1.188 -17.198 6.090 1.00 61.44 C ATOM 421 O GLU A 26 -1.298 -16.140 5.464 1.00 73.34 O ATOM 422 CB GLU A 26 -3.314 -18.217 6.934 1.00 23.00 C ATOM 423 CG GLU A 26 -3.234 -19.720 7.070 1.00 50.44 C ATOM 424 CD GLU A 26 -2.336 -20.366 6.037 1.00 54.31 C ATOM 425 OE1 GLU A 26 -2.722 -20.413 4.851 1.00 34.33 O ATOM 426 OE2 GLU A 26 -1.228 -20.806 6.404 1.00 24.02 O ATOM 0 H GLU A 26 -3.397 -15.955 7.786 1.00 33.43 H new ATOM 0 HA GLU A 26 -1.457 -18.073 8.014 1.00 1.24 H new ATOM 0 HB2 GLU A 26 -4.136 -17.854 7.551 1.00 23.00 H new ATOM 0 HB3 GLU A 26 -3.560 -17.973 5.901 1.00 23.00 H new ATOM 0 HG2 GLU A 26 -2.868 -19.969 8.066 1.00 50.44 H new ATOM 0 HG3 GLU A 26 -4.236 -20.140 6.984 1.00 50.44 H new ATOM 433 N ILE A 27 -0.357 -18.164 5.735 1.00 22.54 N ATOM 434 CA ILE A 27 0.521 -18.044 4.577 1.00 33.40 C ATOM 435 C ILE A 27 -0.299 -17.877 3.300 1.00 74.32 C ATOM 436 O ILE A 27 0.084 -17.130 2.401 1.00 62.33 O ATOM 437 CB ILE A 27 1.449 -19.275 4.452 1.00 22.45 C ATOM 438 CG1 ILE A 27 2.370 -19.373 5.674 1.00 11.32 C ATOM 439 CG2 ILE A 27 2.273 -19.211 3.171 1.00 33.31 C ATOM 440 CD1 ILE A 27 3.274 -18.168 5.859 1.00 1.13 C ATOM 0 H ILE A 27 -0.270 -19.048 6.236 1.00 22.54 H new ATOM 0 HA ILE A 27 1.142 -17.159 4.719 1.00 33.40 H new ATOM 0 HB ILE A 27 0.825 -20.168 4.409 1.00 22.45 H new ATOM 0 HG12 ILE A 27 1.759 -19.498 6.568 1.00 11.32 H new ATOM 0 HG13 ILE A 27 2.987 -20.267 5.582 1.00 11.32 H new ATOM 0 HG21 ILE A 27 2.917 -20.088 3.108 1.00 33.31 H new ATOM 0 HG22 ILE A 27 1.605 -19.188 2.310 1.00 33.31 H new ATOM 0 HG23 ILE A 27 2.887 -18.310 3.178 1.00 33.31 H new ATOM 0 HD11 ILE A 27 3.895 -18.311 6.743 1.00 1.13 H new ATOM 0 HD12 ILE A 27 3.912 -18.054 4.982 1.00 1.13 H new ATOM 0 HD13 ILE A 27 2.665 -17.272 5.984 1.00 1.13 H new ATOM 452 N GLY A 28 -1.441 -18.554 3.243 1.00 74.11 N ATOM 453 CA GLY A 28 -2.322 -18.442 2.096 1.00 73.35 C ATOM 454 C GLY A 28 -2.860 -17.034 1.923 1.00 35.03 C ATOM 455 O GLY A 28 -3.106 -16.595 0.801 1.00 73.52 O ATOM 0 H GLY A 28 -1.773 -19.182 3.975 1.00 74.11 H new ATOM 0 HA2 GLY A 28 -1.783 -18.736 1.196 1.00 73.35 H new ATOM 0 HA3 GLY A 28 -3.155 -19.136 2.210 1.00 73.35 H new ATOM 459 N THR A 29 -3.034 -16.327 3.033 1.00 61.22 N ATOM 460 CA THR A 29 -3.496 -14.948 3.001 1.00 54.20 C ATOM 461 C THR A 29 -2.375 -14.034 2.508 1.00 33.10 C ATOM 462 O THR A 29 -2.569 -13.221 1.600 1.00 64.23 O ATOM 463 CB THR A 29 -3.949 -14.491 4.400 1.00 71.14 C ATOM 464 OG1 THR A 29 -4.761 -15.505 5.007 1.00 40.05 O ATOM 465 CG2 THR A 29 -4.736 -13.192 4.317 1.00 33.22 C ATOM 0 H THR A 29 -2.861 -16.690 3.970 1.00 61.22 H new ATOM 0 HA THR A 29 -4.345 -14.889 2.320 1.00 54.20 H new ATOM 0 HB THR A 29 -3.060 -14.322 5.008 1.00 71.14 H new ATOM 0 HG1 THR A 29 -5.044 -15.208 5.897 1.00 40.05 H new ATOM 0 HG21 THR A 29 -5.045 -12.889 5.317 1.00 33.22 H new ATOM 0 HG22 THR A 29 -4.110 -12.414 3.880 1.00 33.22 H new ATOM 0 HG23 THR A 29 -5.618 -13.340 3.694 1.00 33.22 H new ATOM 473 N PHE A 30 -1.200 -14.198 3.110 1.00 30.10 N ATOM 474 CA PHE A 30 -0.005 -13.450 2.730 1.00 24.13 C ATOM 475 C PHE A 30 0.310 -13.647 1.252 1.00 62.31 C ATOM 476 O PHE A 30 0.473 -12.689 0.500 1.00 34.34 O ATOM 477 CB PHE A 30 1.179 -13.919 3.587 1.00 33.42 C ATOM 478 CG PHE A 30 2.520 -13.404 3.142 1.00 53.31 C ATOM 479 CD1 PHE A 30 2.904 -12.098 3.400 1.00 62.43 C ATOM 480 CD2 PHE A 30 3.407 -14.238 2.474 1.00 21.11 C ATOM 481 CE1 PHE A 30 4.144 -11.635 2.999 1.00 20.33 C ATOM 482 CE2 PHE A 30 4.645 -13.779 2.071 1.00 71.33 C ATOM 483 CZ PHE A 30 5.014 -12.475 2.333 1.00 72.35 C ATOM 0 H PHE A 30 -1.049 -14.854 3.876 1.00 30.10 H new ATOM 0 HA PHE A 30 -0.184 -12.388 2.900 1.00 24.13 H new ATOM 0 HB2 PHE A 30 1.009 -13.608 4.618 1.00 33.42 H new ATOM 0 HB3 PHE A 30 1.204 -15.009 3.583 1.00 33.42 H new ATOM 0 HD1 PHE A 30 2.228 -11.435 3.920 1.00 62.43 H new ATOM 0 HD2 PHE A 30 3.124 -15.260 2.267 1.00 21.11 H new ATOM 0 HE1 PHE A 30 4.432 -10.615 3.207 1.00 20.33 H new ATOM 0 HE2 PHE A 30 5.324 -14.439 1.552 1.00 71.33 H new ATOM 0 HZ PHE A 30 5.981 -12.113 2.018 1.00 72.35 H new ATOM 493 N ARG A 31 0.370 -14.903 0.849 1.00 35.23 N ATOM 494 CA ARG A 31 0.736 -15.276 -0.506 1.00 33.04 C ATOM 495 C ARG A 31 -0.293 -14.804 -1.526 1.00 53.32 C ATOM 496 O ARG A 31 0.057 -14.505 -2.666 1.00 44.33 O ATOM 497 CB ARG A 31 0.881 -16.793 -0.576 1.00 61.33 C ATOM 498 CG ARG A 31 1.727 -17.285 -1.727 1.00 70.42 C ATOM 499 CD ARG A 31 1.833 -18.799 -1.706 1.00 42.31 C ATOM 500 NE ARG A 31 2.339 -19.332 -2.965 1.00 34.44 N ATOM 501 CZ ARG A 31 2.276 -20.617 -3.299 1.00 52.23 C ATOM 502 NH1 ARG A 31 1.786 -21.506 -2.442 1.00 63.04 N ATOM 503 NH2 ARG A 31 2.714 -21.017 -4.485 1.00 44.15 N ATOM 0 H ARG A 31 0.165 -15.697 1.455 1.00 35.23 H new ATOM 0 HA ARG A 31 1.680 -14.791 -0.753 1.00 33.04 H new ATOM 0 HB2 ARG A 31 1.317 -17.148 0.358 1.00 61.33 H new ATOM 0 HB3 ARG A 31 -0.111 -17.238 -0.654 1.00 61.33 H new ATOM 0 HG2 ARG A 31 1.290 -16.959 -2.671 1.00 70.42 H new ATOM 0 HG3 ARG A 31 2.722 -16.845 -1.667 1.00 70.42 H new ATOM 0 HD2 ARG A 31 2.492 -19.104 -0.893 1.00 42.31 H new ATOM 0 HD3 ARG A 31 0.852 -19.228 -1.500 1.00 42.31 H new ATOM 0 HE ARG A 31 2.765 -18.683 -3.626 1.00 34.44 H new ATOM 0 HH11 ARG A 31 1.457 -21.203 -1.525 1.00 63.04 H new ATOM 0 HH12 ARG A 31 1.739 -22.491 -2.701 1.00 63.04 H new ATOM 0 HH21 ARG A 31 3.100 -20.338 -5.142 1.00 44.15 H new ATOM 0 HH22 ARG A 31 2.665 -22.003 -4.741 1.00 44.15 H new ATOM 517 N HIS A 32 -1.553 -14.722 -1.112 1.00 44.15 N ATOM 518 CA HIS A 32 -2.629 -14.374 -2.036 1.00 24.15 C ATOM 519 C HIS A 32 -2.424 -12.969 -2.598 1.00 70.15 C ATOM 520 O HIS A 32 -2.749 -12.705 -3.755 1.00 52.21 O ATOM 521 CB HIS A 32 -3.996 -14.475 -1.359 1.00 74.30 C ATOM 522 CG HIS A 32 -5.118 -14.719 -2.324 1.00 33.34 C ATOM 523 ND1 HIS A 32 -6.024 -13.748 -2.697 1.00 44.51 N ATOM 524 CD2 HIS A 32 -5.479 -15.841 -2.992 1.00 65.20 C ATOM 525 CE1 HIS A 32 -6.890 -14.262 -3.549 1.00 53.03 C ATOM 526 NE2 HIS A 32 -6.582 -15.529 -3.744 1.00 42.30 N ATOM 0 H HIS A 32 -1.854 -14.890 -0.152 1.00 44.15 H new ATOM 0 HA HIS A 32 -2.602 -15.089 -2.858 1.00 24.15 H new ATOM 0 HB2 HIS A 32 -3.973 -15.283 -0.627 1.00 74.30 H new ATOM 0 HB3 HIS A 32 -4.191 -13.554 -0.811 1.00 74.30 H new ATOM 0 HD2 HIS A 32 -4.989 -16.802 -2.942 1.00 65.20 H new ATOM 0 HE1 HIS A 32 -7.712 -13.734 -4.009 1.00 53.03 H new ATOM 0 HE2 HIS A 32 -7.083 -16.173 -4.356 1.00 42.30 H new ATOM 535 N HIS A 33 -1.888 -12.072 -1.776 1.00 63.44 N ATOM 536 CA HIS A 33 -1.533 -10.740 -2.245 1.00 71.25 C ATOM 537 C HIS A 33 -0.375 -10.162 -1.429 1.00 70.20 C ATOM 538 O HIS A 33 -0.564 -9.352 -0.531 1.00 44.45 O ATOM 539 CB HIS A 33 -2.758 -9.796 -2.259 1.00 32.01 C ATOM 540 CG HIS A 33 -3.394 -9.507 -0.921 1.00 64.44 C ATOM 541 ND1 HIS A 33 -4.339 -10.325 -0.338 1.00 23.43 N ATOM 542 CD2 HIS A 33 -3.235 -8.462 -0.069 1.00 13.13 C ATOM 543 CE1 HIS A 33 -4.728 -9.798 0.809 1.00 1.14 C ATOM 544 NE2 HIS A 33 -4.075 -8.668 0.994 1.00 24.21 N ATOM 0 H HIS A 33 -1.692 -12.243 -0.790 1.00 63.44 H new ATOM 0 HA HIS A 33 -1.193 -10.829 -3.277 1.00 71.25 H new ATOM 0 HB2 HIS A 33 -2.455 -8.849 -2.706 1.00 32.01 H new ATOM 0 HB3 HIS A 33 -3.516 -10.229 -2.912 1.00 32.01 H new ATOM 0 HD2 HIS A 33 -2.569 -7.623 -0.204 1.00 13.13 H new ATOM 0 HE1 HIS A 33 -5.458 -10.222 1.482 1.00 1.14 H new ATOM 0 HE2 HIS A 33 -4.178 -8.048 1.797 1.00 24.21 H new ATOM 553 N LYS A 34 0.831 -10.620 -1.724 1.00 24.21 N ATOM 554 CA LYS A 34 2.013 -10.107 -1.063 1.00 4.03 C ATOM 555 C LYS A 34 2.666 -9.006 -1.884 1.00 63.52 C ATOM 556 O LYS A 34 3.091 -7.982 -1.353 1.00 60.42 O ATOM 557 CB LYS A 34 2.994 -11.221 -0.804 1.00 71.02 C ATOM 558 CG LYS A 34 3.205 -12.079 -2.001 1.00 54.25 C ATOM 559 CD LYS A 34 4.253 -13.116 -1.761 1.00 55.21 C ATOM 560 CE LYS A 34 4.420 -13.881 -3.025 1.00 43.42 C ATOM 561 NZ LYS A 34 5.493 -14.902 -2.937 1.00 53.12 N ATOM 0 H LYS A 34 1.014 -11.346 -2.417 1.00 24.21 H new ATOM 0 HA LYS A 34 1.707 -9.679 -0.108 1.00 4.03 H new ATOM 0 HB2 LYS A 34 3.948 -10.796 -0.492 1.00 71.02 H new ATOM 0 HB3 LYS A 34 2.633 -11.835 0.021 1.00 71.02 H new ATOM 0 HG2 LYS A 34 2.267 -12.565 -2.270 1.00 54.25 H new ATOM 0 HG3 LYS A 34 3.496 -11.457 -2.848 1.00 54.25 H new ATOM 0 HD2 LYS A 34 5.194 -12.650 -1.467 1.00 55.21 H new ATOM 0 HD3 LYS A 34 3.958 -13.779 -0.947 1.00 55.21 H new ATOM 0 HE2 LYS A 34 3.479 -14.369 -3.277 1.00 43.42 H new ATOM 0 HE3 LYS A 34 4.647 -13.190 -3.836 1.00 43.42 H new ATOM 0 HZ1 LYS A 34 5.568 -15.406 -3.844 1.00 53.12 H new ATOM 0 HZ2 LYS A 34 6.398 -14.437 -2.724 1.00 53.12 H new ATOM 0 HZ3 LYS A 34 5.266 -15.580 -2.182 1.00 53.12 H new ATOM 575 N SER A 35 2.746 -9.230 -3.185 1.00 20.05 N ATOM 576 CA SER A 35 3.352 -8.263 -4.088 1.00 5.54 C ATOM 577 C SER A 35 2.401 -7.097 -4.362 1.00 73.10 C ATOM 578 O SER A 35 2.767 -5.938 -4.168 1.00 72.33 O ATOM 579 CB SER A 35 3.743 -8.951 -5.398 1.00 72.15 C ATOM 580 OG SER A 35 4.507 -10.119 -5.147 1.00 33.22 O ATOM 0 H SER A 35 2.399 -10.074 -3.641 1.00 20.05 H new ATOM 0 HA SER A 35 4.247 -7.861 -3.614 1.00 5.54 H new ATOM 0 HB2 SER A 35 2.845 -9.212 -5.958 1.00 72.15 H new ATOM 0 HB3 SER A 35 4.317 -8.262 -6.018 1.00 72.15 H new ATOM 0 HG SER A 35 4.745 -10.544 -5.998 1.00 33.22 H new ATOM 586 N CYS A 36 1.187 -7.425 -4.815 1.00 12.53 N ATOM 587 CA CYS A 36 0.154 -6.437 -5.158 1.00 2.11 C ATOM 588 C CYS A 36 0.662 -5.395 -6.160 1.00 44.33 C ATOM 589 O CYS A 36 0.523 -5.567 -7.370 1.00 11.44 O ATOM 590 CB CYS A 36 -0.370 -5.747 -3.893 1.00 25.53 C ATOM 591 SG CYS A 36 -1.023 -6.886 -2.651 1.00 44.14 S ATOM 0 H CYS A 36 0.889 -8.390 -4.956 1.00 12.53 H new ATOM 0 HA CYS A 36 -0.663 -6.978 -5.635 1.00 2.11 H new ATOM 0 HB2 CYS A 36 0.437 -5.165 -3.448 1.00 25.53 H new ATOM 0 HB3 CYS A 36 -1.154 -5.043 -4.174 1.00 25.53 H new ATOM 0 HG CYS A 36 -2.273 -6.611 -2.425 1.00 44.14 H new ATOM 597 N MET A 37 1.277 -4.334 -5.652 1.00 54.14 N ATOM 598 CA MET A 37 1.833 -3.292 -6.500 1.00 0.41 C ATOM 599 C MET A 37 3.067 -3.815 -7.217 1.00 71.23 C ATOM 600 O MET A 37 3.309 -3.494 -8.376 1.00 43.25 O ATOM 601 CB MET A 37 2.198 -2.050 -5.678 1.00 0.44 C ATOM 602 CG MET A 37 1.031 -1.425 -4.924 1.00 0.12 C ATOM 603 SD MET A 37 0.492 -2.409 -3.506 1.00 51.22 S ATOM 604 CE MET A 37 1.965 -2.373 -2.485 1.00 50.03 C ATOM 0 H MET A 37 1.403 -4.174 -4.652 1.00 54.14 H new ATOM 0 HA MET A 37 1.078 -3.008 -7.233 1.00 0.41 H new ATOM 0 HB2 MET A 37 2.974 -2.319 -4.962 1.00 0.44 H new ATOM 0 HB3 MET A 37 2.626 -1.301 -6.345 1.00 0.44 H new ATOM 0 HG2 MET A 37 1.319 -0.431 -4.580 1.00 0.12 H new ATOM 0 HG3 MET A 37 0.192 -1.295 -5.608 1.00 0.12 H new ATOM 0 HE1 MET A 37 1.690 -2.543 -1.444 1.00 50.03 H new ATOM 0 HE2 MET A 37 2.653 -3.153 -2.811 1.00 50.03 H new ATOM 0 HE3 MET A 37 2.449 -1.401 -2.578 1.00 50.03 H new ATOM 614 N ARG A 38 3.824 -4.649 -6.515 1.00 44.23 N ATOM 615 CA ARG A 38 5.032 -5.257 -7.064 1.00 42.41 C ATOM 616 C ARG A 38 4.671 -6.156 -8.234 1.00 12.42 C ATOM 617 O ARG A 38 5.424 -6.291 -9.198 1.00 12.13 O ATOM 618 CB ARG A 38 5.715 -6.097 -5.994 1.00 1.05 C ATOM 619 CG ARG A 38 7.214 -6.262 -6.187 1.00 52.42 C ATOM 620 CD ARG A 38 7.762 -7.363 -5.292 1.00 64.11 C ATOM 621 NE ARG A 38 9.226 -7.368 -5.234 1.00 32.41 N ATOM 622 CZ ARG A 38 10.007 -8.144 -5.987 1.00 13.43 C ATOM 623 NH1 ARG A 38 9.493 -8.873 -6.972 1.00 61.31 N ATOM 624 NH2 ARG A 38 11.316 -8.160 -5.774 1.00 15.12 N ATOM 0 H ARG A 38 3.620 -4.923 -5.554 1.00 44.23 H new ATOM 0 HA ARG A 38 5.703 -4.466 -7.400 1.00 42.41 H new ATOM 0 HB2 ARG A 38 5.534 -5.641 -5.021 1.00 1.05 H new ATOM 0 HB3 ARG A 38 5.253 -7.084 -5.974 1.00 1.05 H new ATOM 0 HG2 ARG A 38 7.426 -6.497 -7.230 1.00 52.42 H new ATOM 0 HG3 ARG A 38 7.719 -5.322 -5.963 1.00 52.42 H new ATOM 0 HD2 ARG A 38 7.363 -7.240 -4.285 1.00 64.11 H new ATOM 0 HD3 ARG A 38 7.414 -8.329 -5.657 1.00 64.11 H new ATOM 0 HE ARG A 38 9.678 -6.736 -4.574 1.00 32.41 H new ATOM 0 HH11 ARG A 38 8.491 -8.843 -7.159 1.00 61.31 H new ATOM 0 HH12 ARG A 38 10.101 -9.462 -7.541 1.00 61.31 H new ATOM 0 HH21 ARG A 38 11.720 -7.581 -5.038 1.00 15.12 H new ATOM 0 HH22 ARG A 38 11.919 -8.751 -6.346 1.00 15.12 H new ATOM 638 N LYS A 39 3.505 -6.770 -8.121 1.00 52.43 N ATOM 639 CA LYS A 39 2.985 -7.661 -9.129 1.00 33.14 C ATOM 640 C LYS A 39 2.791 -6.906 -10.437 1.00 14.44 C ATOM 641 O LYS A 39 3.144 -7.395 -11.509 1.00 75.32 O ATOM 642 CB LYS A 39 1.663 -8.230 -8.616 1.00 71.01 C ATOM 643 CG LYS A 39 1.156 -9.443 -9.369 1.00 35.32 C ATOM 644 CD LYS A 39 0.478 -9.062 -10.668 1.00 11.13 C ATOM 645 CE LYS A 39 -0.820 -8.305 -10.428 1.00 11.10 C ATOM 646 NZ LYS A 39 -1.561 -8.062 -11.695 1.00 10.14 N ATOM 0 H LYS A 39 2.890 -6.658 -7.315 1.00 52.43 H new ATOM 0 HA LYS A 39 3.681 -8.477 -9.322 1.00 33.14 H new ATOM 0 HB2 LYS A 39 1.782 -8.496 -7.566 1.00 71.01 H new ATOM 0 HB3 LYS A 39 0.905 -7.448 -8.663 1.00 71.01 H new ATOM 0 HG2 LYS A 39 1.989 -10.114 -9.578 1.00 35.32 H new ATOM 0 HG3 LYS A 39 0.454 -9.992 -8.741 1.00 35.32 H new ATOM 0 HD2 LYS A 39 1.153 -8.447 -11.263 1.00 11.13 H new ATOM 0 HD3 LYS A 39 0.272 -9.962 -11.248 1.00 11.13 H new ATOM 0 HE2 LYS A 39 -1.450 -8.872 -9.742 1.00 11.10 H new ATOM 0 HE3 LYS A 39 -0.601 -7.352 -9.947 1.00 11.10 H new ATOM 0 HZ1 LYS A 39 -2.439 -7.544 -11.490 1.00 10.14 H new ATOM 0 HZ2 LYS A 39 -0.970 -7.500 -12.340 1.00 10.14 H new ATOM 0 HZ3 LYS A 39 -1.792 -8.972 -12.142 1.00 10.14 H new ATOM 660 N PHE A 40 2.233 -5.707 -10.332 1.00 24.45 N ATOM 661 CA PHE A 40 2.035 -4.854 -11.491 1.00 12.42 C ATOM 662 C PHE A 40 3.358 -4.236 -11.929 1.00 35.02 C ATOM 663 O PHE A 40 3.682 -4.220 -13.119 1.00 70.14 O ATOM 664 CB PHE A 40 1.010 -3.756 -11.185 1.00 13.13 C ATOM 665 CG PHE A 40 0.774 -2.820 -12.337 1.00 10.13 C ATOM 666 CD1 PHE A 40 0.103 -3.251 -13.470 1.00 24.32 C ATOM 667 CD2 PHE A 40 1.233 -1.513 -12.292 1.00 64.40 C ATOM 668 CE1 PHE A 40 -0.107 -2.398 -14.535 1.00 1.10 C ATOM 669 CE2 PHE A 40 1.029 -0.656 -13.355 1.00 61.50 C ATOM 670 CZ PHE A 40 0.357 -1.098 -14.478 1.00 23.24 C ATOM 0 H PHE A 40 1.909 -5.304 -9.452 1.00 24.45 H new ATOM 0 HA PHE A 40 1.650 -5.467 -12.306 1.00 12.42 H new ATOM 0 HB2 PHE A 40 0.065 -4.220 -10.904 1.00 13.13 H new ATOM 0 HB3 PHE A 40 1.351 -3.181 -10.324 1.00 13.13 H new ATOM 0 HD1 PHE A 40 -0.260 -4.267 -13.521 1.00 24.32 H new ATOM 0 HD2 PHE A 40 1.756 -1.161 -11.415 1.00 64.40 H new ATOM 0 HE1 PHE A 40 -0.633 -2.746 -15.411 1.00 1.10 H new ATOM 0 HE2 PHE A 40 1.395 0.359 -13.309 1.00 61.50 H new ATOM 0 HZ PHE A 40 0.195 -0.429 -15.310 1.00 23.24 H new ATOM 680 N LYS A 41 4.128 -3.757 -10.963 1.00 53.42 N ATOM 681 CA LYS A 41 5.387 -3.092 -11.248 1.00 64.02 C ATOM 682 C LYS A 41 6.345 -3.209 -10.068 1.00 24.41 C ATOM 683 O LYS A 41 6.134 -2.640 -8.997 1.00 13.21 O ATOM 684 CB LYS A 41 5.169 -1.622 -11.640 1.00 11.25 C ATOM 685 CG LYS A 41 4.437 -0.783 -10.602 1.00 22.55 C ATOM 686 CD LYS A 41 4.292 0.655 -11.074 1.00 5.41 C ATOM 687 CE LYS A 41 3.607 1.531 -10.035 1.00 52.44 C ATOM 688 NZ LYS A 41 3.461 2.931 -10.512 1.00 22.11 N ATOM 0 H LYS A 41 3.900 -3.818 -9.971 1.00 53.42 H new ATOM 0 HA LYS A 41 5.841 -3.595 -12.102 1.00 64.02 H new ATOM 0 HB2 LYS A 41 6.139 -1.166 -11.836 1.00 11.25 H new ATOM 0 HB3 LYS A 41 4.607 -1.590 -12.574 1.00 11.25 H new ATOM 0 HG2 LYS A 41 3.452 -1.209 -10.412 1.00 22.55 H new ATOM 0 HG3 LYS A 41 4.982 -0.807 -9.658 1.00 22.55 H new ATOM 0 HD2 LYS A 41 5.277 1.063 -11.300 1.00 5.41 H new ATOM 0 HD3 LYS A 41 3.718 0.676 -12.001 1.00 5.41 H new ATOM 0 HE2 LYS A 41 2.624 1.121 -9.803 1.00 52.44 H new ATOM 0 HE3 LYS A 41 4.184 1.519 -9.110 1.00 52.44 H new ATOM 0 HZ1 LYS A 41 2.991 3.500 -9.780 1.00 22.11 H new ATOM 0 HZ2 LYS A 41 4.401 3.330 -10.710 1.00 22.11 H new ATOM 0 HZ3 LYS A 41 2.889 2.944 -11.381 1.00 22.11 H new ATOM 702 N GLU A 42 7.391 -3.981 -10.278 1.00 32.31 N ATOM 703 CA GLU A 42 8.434 -4.176 -9.283 1.00 33.00 C ATOM 704 C GLU A 42 9.553 -3.151 -9.463 1.00 21.01 C ATOM 705 O GLU A 42 10.683 -3.350 -9.010 1.00 52.01 O ATOM 706 CB GLU A 42 8.980 -5.598 -9.401 1.00 10.24 C ATOM 707 CG GLU A 42 9.416 -5.967 -10.812 1.00 73.41 C ATOM 708 CD GLU A 42 9.588 -7.458 -10.990 1.00 23.41 C ATOM 709 OE1 GLU A 42 8.568 -8.177 -10.978 1.00 2.12 O ATOM 710 OE2 GLU A 42 10.736 -7.920 -11.147 1.00 60.13 O ATOM 0 H GLU A 42 7.546 -4.494 -11.146 1.00 32.31 H new ATOM 0 HA GLU A 42 8.012 -4.033 -8.288 1.00 33.00 H new ATOM 0 HB2 GLU A 42 9.829 -5.710 -8.726 1.00 10.24 H new ATOM 0 HB3 GLU A 42 8.215 -6.301 -9.070 1.00 10.24 H new ATOM 0 HG2 GLU A 42 8.677 -5.601 -11.525 1.00 73.41 H new ATOM 0 HG3 GLU A 42 10.356 -5.465 -11.042 1.00 73.41 H new ATOM 717 N TYR A 43 9.220 -2.048 -10.113 1.00 12.12 N ATOM 718 CA TYR A 43 10.177 -0.989 -10.381 1.00 44.31 C ATOM 719 C TYR A 43 10.052 0.103 -9.315 1.00 52.13 C ATOM 720 O TYR A 43 9.449 -0.124 -8.260 1.00 21.31 O ATOM 721 CB TYR A 43 9.921 -0.415 -11.782 1.00 13.22 C ATOM 722 CG TYR A 43 11.165 0.077 -12.493 1.00 34.31 C ATOM 723 CD1 TYR A 43 12.102 -0.823 -12.987 1.00 52.31 C ATOM 724 CD2 TYR A 43 11.397 1.435 -12.679 1.00 61.31 C ATOM 725 CE1 TYR A 43 13.236 -0.386 -13.643 1.00 52.21 C ATOM 726 CE2 TYR A 43 12.529 1.881 -13.337 1.00 33.04 C ATOM 727 CZ TYR A 43 13.446 0.965 -13.818 1.00 61.52 C ATOM 728 OH TYR A 43 14.574 1.400 -14.480 1.00 71.55 O ATOM 0 H TYR A 43 8.282 -1.862 -10.468 1.00 12.12 H new ATOM 0 HA TYR A 43 11.190 -1.389 -10.346 1.00 44.31 H new ATOM 0 HB2 TYR A 43 9.446 -1.182 -12.394 1.00 13.22 H new ATOM 0 HB3 TYR A 43 9.214 0.410 -11.700 1.00 13.22 H new ATOM 0 HD1 TYR A 43 11.940 -1.883 -12.856 1.00 52.31 H new ATOM 0 HD2 TYR A 43 10.682 2.153 -12.304 1.00 61.31 H new ATOM 0 HE1 TYR A 43 13.955 -1.100 -14.017 1.00 52.21 H new ATOM 0 HE2 TYR A 43 12.696 2.939 -13.474 1.00 33.04 H new ATOM 0 HH TYR A 43 14.572 2.379 -14.520 1.00 71.55 H new ATOM 738 N CYS A 44 10.638 1.268 -9.594 1.00 61.41 N ATOM 739 CA CYS A 44 10.584 2.430 -8.706 1.00 24.32 C ATOM 740 C CYS A 44 11.381 2.195 -7.425 1.00 21.03 C ATOM 741 O CYS A 44 10.912 1.554 -6.479 1.00 12.41 O ATOM 742 CB CYS A 44 9.136 2.816 -8.388 1.00 4.33 C ATOM 743 SG CYS A 44 8.152 3.226 -9.850 1.00 75.42 S ATOM 0 H CYS A 44 11.168 1.433 -10.450 1.00 61.41 H new ATOM 0 HA CYS A 44 11.047 3.264 -9.233 1.00 24.32 H new ATOM 0 HB2 CYS A 44 8.658 1.992 -7.859 1.00 4.33 H new ATOM 0 HB3 CYS A 44 9.138 3.671 -7.711 1.00 4.33 H new ATOM 0 HG CYS A 44 6.943 3.537 -9.486 1.00 75.42 H new ATOM 749 N GLU A 45 12.599 2.716 -7.419 1.00 55.43 N ATOM 750 CA GLU A 45 13.495 2.595 -6.284 1.00 74.32 C ATOM 751 C GLU A 45 13.751 3.977 -5.687 1.00 70.21 C ATOM 752 O GLU A 45 14.286 4.863 -6.356 1.00 62.22 O ATOM 753 CB GLU A 45 14.804 1.925 -6.736 1.00 52.14 C ATOM 754 CG GLU A 45 15.775 1.590 -5.611 1.00 40.50 C ATOM 755 CD GLU A 45 16.730 2.724 -5.292 1.00 41.22 C ATOM 756 OE1 GLU A 45 17.596 3.030 -6.139 1.00 31.14 O ATOM 757 OE2 GLU A 45 16.650 3.288 -4.183 1.00 63.22 O ATOM 0 H GLU A 45 12.992 3.235 -8.204 1.00 55.43 H new ATOM 0 HA GLU A 45 13.043 1.972 -5.512 1.00 74.32 H new ATOM 0 HB2 GLU A 45 14.559 1.007 -7.271 1.00 52.14 H new ATOM 0 HB3 GLU A 45 15.306 2.583 -7.445 1.00 52.14 H new ATOM 0 HG2 GLU A 45 15.209 1.336 -4.714 1.00 40.50 H new ATOM 0 HG3 GLU A 45 16.350 0.706 -5.886 1.00 40.50 H new ATOM 764 N GLY A 46 13.342 4.162 -4.440 1.00 55.20 N ATOM 765 CA GLY A 46 13.517 5.442 -3.785 1.00 25.12 C ATOM 766 C GLY A 46 12.266 6.298 -3.831 1.00 43.24 C ATOM 767 O GLY A 46 12.043 7.035 -4.791 1.00 34.14 O ATOM 0 H GLY A 46 12.891 3.447 -3.869 1.00 55.20 H new ATOM 0 HA2 GLY A 46 13.802 5.278 -2.746 1.00 25.12 H new ATOM 0 HA3 GLY A 46 14.338 5.979 -4.260 1.00 25.12 H new ATOM 771 N LEU A 47 11.450 6.197 -2.796 1.00 3.12 N ATOM 772 CA LEU A 47 10.225 6.980 -2.699 1.00 14.31 C ATOM 773 C LEU A 47 10.207 7.730 -1.368 1.00 71.24 C ATOM 774 O LEU A 47 10.243 7.113 -0.307 1.00 64.02 O ATOM 775 CB LEU A 47 9.004 6.052 -2.841 1.00 41.21 C ATOM 776 CG LEU A 47 7.633 6.736 -2.935 1.00 32.40 C ATOM 777 CD1 LEU A 47 6.656 5.843 -3.685 1.00 11.01 C ATOM 778 CD2 LEU A 47 7.086 7.043 -1.548 1.00 71.24 C ATOM 0 H LEU A 47 11.614 5.576 -2.004 1.00 3.12 H new ATOM 0 HA LEU A 47 10.184 7.714 -3.504 1.00 14.31 H new ATOM 0 HB2 LEU A 47 9.142 5.440 -3.732 1.00 41.21 H new ATOM 0 HB3 LEU A 47 8.989 5.374 -1.988 1.00 41.21 H new ATOM 0 HG LEU A 47 7.755 7.674 -3.476 1.00 32.40 H new ATOM 0 HD11 LEU A 47 5.686 6.336 -3.747 1.00 11.01 H new ATOM 0 HD12 LEU A 47 7.033 5.656 -4.691 1.00 11.01 H new ATOM 0 HD13 LEU A 47 6.548 4.896 -3.156 1.00 11.01 H new ATOM 0 HD21 LEU A 47 6.114 7.527 -1.639 1.00 71.24 H new ATOM 0 HD22 LEU A 47 6.978 6.115 -0.986 1.00 71.24 H new ATOM 0 HD23 LEU A 47 7.774 7.706 -1.024 1.00 71.24 H new ATOM 790 N GLN A 48 10.173 9.057 -1.430 1.00 44.51 N ATOM 791 CA GLN A 48 10.208 9.875 -0.222 1.00 41.32 C ATOM 792 C GLN A 48 8.812 10.296 0.215 1.00 25.22 C ATOM 793 O GLN A 48 7.811 9.958 -0.419 1.00 21.43 O ATOM 794 CB GLN A 48 11.069 11.121 -0.427 1.00 44.50 C ATOM 795 CG GLN A 48 12.475 10.997 0.133 1.00 54.30 C ATOM 796 CD GLN A 48 13.118 9.666 -0.180 1.00 32.21 C ATOM 797 OE1 GLN A 48 13.039 8.726 0.610 1.00 62.20 O ATOM 798 NE2 GLN A 48 13.737 9.563 -1.337 1.00 14.33 N ATOM 0 H GLN A 48 10.121 9.588 -2.300 1.00 44.51 H new ATOM 0 HA GLN A 48 10.647 9.258 0.562 1.00 41.32 H new ATOM 0 HB2 GLN A 48 11.131 11.336 -1.494 1.00 44.50 H new ATOM 0 HB3 GLN A 48 10.576 11.973 0.042 1.00 44.50 H new ATOM 0 HG2 GLN A 48 13.094 11.798 -0.272 1.00 54.30 H new ATOM 0 HG3 GLN A 48 12.443 11.134 1.214 1.00 54.30 H new ATOM 0 HE21 GLN A 48 13.781 10.365 -1.965 1.00 14.33 H new ATOM 0 HE22 GLN A 48 14.173 8.681 -1.606 1.00 14.33 H new ATOM 807 N PHE A 49 8.771 11.076 1.287 1.00 21.12 N ATOM 808 CA PHE A 49 7.517 11.535 1.879 1.00 53.32 C ATOM 809 C PHE A 49 6.789 12.489 0.942 1.00 33.15 C ATOM 810 O PHE A 49 5.565 12.553 0.925 1.00 63.15 O ATOM 811 CB PHE A 49 7.794 12.220 3.221 1.00 4.41 C ATOM 812 CG PHE A 49 8.680 13.437 3.130 1.00 61.11 C ATOM 813 CD1 PHE A 49 10.059 13.304 3.059 1.00 12.53 C ATOM 814 CD2 PHE A 49 8.134 14.712 3.122 1.00 50.21 C ATOM 815 CE1 PHE A 49 10.874 14.417 2.982 1.00 3.15 C ATOM 816 CE2 PHE A 49 8.946 15.829 3.043 1.00 35.03 C ATOM 817 CZ PHE A 49 10.316 15.680 2.973 1.00 4.22 C ATOM 0 H PHE A 49 9.604 11.409 1.772 1.00 21.12 H new ATOM 0 HA PHE A 49 6.877 10.668 2.044 1.00 53.32 H new ATOM 0 HB2 PHE A 49 6.844 12.510 3.669 1.00 4.41 H new ATOM 0 HB3 PHE A 49 8.257 11.499 3.894 1.00 4.41 H new ATOM 0 HD1 PHE A 49 10.501 12.319 3.064 1.00 12.53 H new ATOM 0 HD2 PHE A 49 7.062 14.834 3.178 1.00 50.21 H new ATOM 0 HE1 PHE A 49 11.946 14.299 2.929 1.00 3.15 H new ATOM 0 HE2 PHE A 49 8.508 16.816 3.036 1.00 35.03 H new ATOM 0 HZ PHE A 49 10.952 16.551 2.911 1.00 4.22 H new ATOM 827 N HIS A 50 7.565 13.231 0.169 1.00 31.31 N ATOM 828 CA HIS A 50 7.017 14.163 -0.811 1.00 33.33 C ATOM 829 C HIS A 50 6.228 13.414 -1.882 1.00 71.43 C ATOM 830 O HIS A 50 5.246 13.931 -2.423 1.00 43.22 O ATOM 831 CB HIS A 50 8.144 14.979 -1.457 1.00 65.52 C ATOM 832 CG HIS A 50 7.683 15.883 -2.559 1.00 3.50 C ATOM 833 ND1 HIS A 50 7.826 15.573 -3.894 1.00 51.34 N ATOM 834 CD2 HIS A 50 7.076 17.091 -2.519 1.00 61.55 C ATOM 835 CE1 HIS A 50 7.328 16.550 -4.626 1.00 34.24 C ATOM 836 NE2 HIS A 50 6.866 17.484 -3.816 1.00 20.34 N ATOM 0 H HIS A 50 8.584 13.207 0.200 1.00 31.31 H new ATOM 0 HA HIS A 50 6.340 14.845 -0.296 1.00 33.33 H new ATOM 0 HB2 HIS A 50 8.632 15.579 -0.688 1.00 65.52 H new ATOM 0 HB3 HIS A 50 8.895 14.294 -1.852 1.00 65.52 H new ATOM 0 HD1 HIS A 50 8.251 14.721 -4.259 1.00 51.34 H new ATOM 0 HD2 HIS A 50 6.807 17.643 -1.631 1.00 61.55 H new ATOM 0 HE1 HIS A 50 7.302 16.581 -5.705 1.00 34.24 H new ATOM 845 N GLU A 51 6.666 12.201 -2.175 1.00 73.20 N ATOM 846 CA GLU A 51 6.036 11.380 -3.196 1.00 32.40 C ATOM 847 C GLU A 51 4.784 10.707 -2.644 1.00 2.53 C ATOM 848 O GLU A 51 3.728 10.727 -3.282 1.00 51.30 O ATOM 849 CB GLU A 51 7.024 10.329 -3.723 1.00 11.41 C ATOM 850 CG GLU A 51 8.077 10.876 -4.683 1.00 22.54 C ATOM 851 CD GLU A 51 8.836 12.065 -4.126 1.00 64.35 C ATOM 852 OE1 GLU A 51 9.600 11.891 -3.156 1.00 3.33 O ATOM 853 OE2 GLU A 51 8.659 13.186 -4.653 1.00 52.11 O ATOM 0 H GLU A 51 7.463 11.760 -1.716 1.00 73.20 H new ATOM 0 HA GLU A 51 5.742 12.024 -4.025 1.00 32.40 H new ATOM 0 HB2 GLU A 51 7.529 9.866 -2.875 1.00 11.41 H new ATOM 0 HB3 GLU A 51 6.463 9.543 -4.228 1.00 11.41 H new ATOM 0 HG2 GLU A 51 8.785 10.083 -4.925 1.00 22.54 H new ATOM 0 HG3 GLU A 51 7.593 11.167 -5.615 1.00 22.54 H new ATOM 860 N LEU A 52 4.900 10.129 -1.453 1.00 51.01 N ATOM 861 CA LEU A 52 3.773 9.457 -0.822 1.00 50.42 C ATOM 862 C LEU A 52 2.764 10.493 -0.340 1.00 72.31 C ATOM 863 O LEU A 52 2.843 10.986 0.784 1.00 73.42 O ATOM 864 CB LEU A 52 4.248 8.583 0.348 1.00 64.21 C ATOM 865 CG LEU A 52 3.367 7.361 0.675 1.00 45.34 C ATOM 866 CD1 LEU A 52 1.988 7.782 1.165 1.00 42.34 C ATOM 867 CD2 LEU A 52 3.240 6.457 -0.545 1.00 13.53 C ATOM 0 H LEU A 52 5.762 10.113 -0.907 1.00 51.01 H new ATOM 0 HA LEU A 52 3.294 8.807 -1.554 1.00 50.42 H new ATOM 0 HB2 LEU A 52 5.256 8.232 0.128 1.00 64.21 H new ATOM 0 HB3 LEU A 52 4.315 9.207 1.239 1.00 64.21 H new ATOM 0 HG LEU A 52 3.852 6.807 1.479 1.00 45.34 H new ATOM 0 HD11 LEU A 52 1.394 6.895 1.386 1.00 42.34 H new ATOM 0 HD12 LEU A 52 2.091 8.384 2.068 1.00 42.34 H new ATOM 0 HD13 LEU A 52 1.491 8.368 0.392 1.00 42.34 H new ATOM 0 HD21 LEU A 52 2.615 5.599 -0.298 1.00 13.53 H new ATOM 0 HD22 LEU A 52 2.785 7.014 -1.364 1.00 13.53 H new ATOM 0 HD23 LEU A 52 4.229 6.111 -0.846 1.00 13.53 H new ATOM 879 N THR A 53 1.831 10.835 -1.208 1.00 11.03 N ATOM 880 CA THR A 53 0.853 11.858 -0.907 1.00 21.43 C ATOM 881 C THR A 53 -0.547 11.413 -1.309 1.00 53.04 C ATOM 882 O THR A 53 -0.710 10.430 -2.030 1.00 15.31 O ATOM 883 CB THR A 53 1.202 13.171 -1.635 1.00 42.44 C ATOM 884 OG1 THR A 53 1.658 12.886 -2.968 1.00 0.13 O ATOM 885 CG2 THR A 53 2.270 13.947 -0.881 1.00 4.12 C ATOM 0 H THR A 53 1.731 10.415 -2.132 1.00 11.03 H new ATOM 0 HA THR A 53 0.872 12.026 0.170 1.00 21.43 H new ATOM 0 HB THR A 53 0.302 13.784 -1.681 1.00 42.44 H new ATOM 0 HG1 THR A 53 1.877 13.725 -3.425 1.00 0.13 H new ATOM 0 HG21 THR A 53 2.497 14.869 -1.417 1.00 4.12 H new ATOM 0 HG22 THR A 53 1.907 14.188 0.118 1.00 4.12 H new ATOM 0 HG23 THR A 53 3.173 13.341 -0.803 1.00 4.12 H new ATOM 893 N GLU A 54 -1.549 12.145 -0.832 1.00 50.14 N ATOM 894 CA GLU A 54 -2.944 11.897 -1.188 1.00 24.50 C ATOM 895 C GLU A 54 -3.120 11.881 -2.707 1.00 42.53 C ATOM 896 O GLU A 54 -3.854 11.055 -3.250 1.00 42.44 O ATOM 897 CB GLU A 54 -3.821 12.968 -0.524 1.00 30.23 C ATOM 898 CG GLU A 54 -5.253 13.039 -1.030 1.00 34.24 C ATOM 899 CD GLU A 54 -5.444 14.145 -2.050 1.00 12.25 C ATOM 900 OE1 GLU A 54 -5.358 15.330 -1.665 1.00 62.12 O ATOM 901 OE2 GLU A 54 -5.680 13.836 -3.233 1.00 53.41 O ATOM 0 H GLU A 54 -1.418 12.926 -0.189 1.00 50.14 H new ATOM 0 HA GLU A 54 -3.251 10.916 -0.825 1.00 24.50 H new ATOM 0 HB2 GLU A 54 -3.841 12.783 0.550 1.00 30.23 H new ATOM 0 HB3 GLU A 54 -3.352 13.941 -0.671 1.00 30.23 H new ATOM 0 HG2 GLU A 54 -5.527 12.083 -1.477 1.00 34.24 H new ATOM 0 HG3 GLU A 54 -5.927 13.202 -0.189 1.00 34.24 H new ATOM 908 N ASP A 55 -2.409 12.778 -3.377 1.00 43.42 N ATOM 909 CA ASP A 55 -2.429 12.859 -4.833 1.00 72.24 C ATOM 910 C ASP A 55 -1.966 11.549 -5.468 1.00 1.45 C ATOM 911 O ASP A 55 -2.543 11.090 -6.454 1.00 63.24 O ATOM 912 CB ASP A 55 -1.535 14.004 -5.304 1.00 75.44 C ATOM 913 CG ASP A 55 -1.368 14.029 -6.807 1.00 22.51 C ATOM 914 OD1 ASP A 55 -2.292 14.489 -7.507 1.00 1.10 O ATOM 915 OD2 ASP A 55 -0.305 13.589 -7.295 1.00 4.43 O ATOM 0 H ASP A 55 -1.805 13.467 -2.930 1.00 43.42 H new ATOM 0 HA ASP A 55 -3.457 13.045 -5.145 1.00 72.24 H new ATOM 0 HB2 ASP A 55 -1.960 14.952 -4.973 1.00 75.44 H new ATOM 0 HB3 ASP A 55 -0.556 13.913 -4.834 1.00 75.44 H new ATOM 920 N PHE A 56 -0.928 10.950 -4.890 1.00 60.22 N ATOM 921 CA PHE A 56 -0.389 9.689 -5.390 1.00 1.50 C ATOM 922 C PHE A 56 -1.437 8.591 -5.277 1.00 31.31 C ATOM 923 O PHE A 56 -1.686 7.852 -6.231 1.00 25.21 O ATOM 924 CB PHE A 56 0.872 9.306 -4.607 1.00 34.03 C ATOM 925 CG PHE A 56 1.544 8.050 -5.099 1.00 54.33 C ATOM 926 CD1 PHE A 56 1.193 6.808 -4.585 1.00 3.33 C ATOM 927 CD2 PHE A 56 2.533 8.111 -6.069 1.00 41.35 C ATOM 928 CE1 PHE A 56 1.815 5.657 -5.030 1.00 52.11 C ATOM 929 CE2 PHE A 56 3.159 6.963 -6.514 1.00 41.45 C ATOM 930 CZ PHE A 56 2.799 5.735 -5.995 1.00 31.31 C ATOM 0 H PHE A 56 -0.442 11.319 -4.073 1.00 60.22 H new ATOM 0 HA PHE A 56 -0.123 9.811 -6.440 1.00 1.50 H new ATOM 0 HB2 PHE A 56 1.583 10.130 -4.659 1.00 34.03 H new ATOM 0 HB3 PHE A 56 0.610 9.177 -3.557 1.00 34.03 H new ATOM 0 HD1 PHE A 56 0.425 6.741 -3.829 1.00 3.33 H new ATOM 0 HD2 PHE A 56 2.817 9.068 -6.482 1.00 41.35 H new ATOM 0 HE1 PHE A 56 1.532 4.698 -4.623 1.00 52.11 H new ATOM 0 HE2 PHE A 56 3.930 7.026 -7.268 1.00 41.45 H new ATOM 0 HZ PHE A 56 3.287 4.837 -6.344 1.00 31.31 H new ATOM 940 N LEU A 57 -2.056 8.503 -4.104 1.00 12.43 N ATOM 941 CA LEU A 57 -3.109 7.530 -3.856 1.00 31.51 C ATOM 942 C LEU A 57 -4.260 7.717 -4.841 1.00 32.04 C ATOM 943 O LEU A 57 -4.785 6.746 -5.385 1.00 34.20 O ATOM 944 CB LEU A 57 -3.614 7.661 -2.415 1.00 42.10 C ATOM 945 CG LEU A 57 -2.773 6.961 -1.338 1.00 72.33 C ATOM 946 CD1 LEU A 57 -2.762 5.457 -1.560 1.00 3.21 C ATOM 947 CD2 LEU A 57 -1.351 7.498 -1.298 1.00 64.11 C ATOM 0 H LEU A 57 -1.843 9.100 -3.305 1.00 12.43 H new ATOM 0 HA LEU A 57 -2.699 6.530 -3.998 1.00 31.51 H new ATOM 0 HB2 LEU A 57 -3.675 8.721 -2.168 1.00 42.10 H new ATOM 0 HB3 LEU A 57 -4.628 7.265 -2.370 1.00 42.10 H new ATOM 0 HG LEU A 57 -3.236 7.172 -0.374 1.00 72.33 H new ATOM 0 HD11 LEU A 57 -2.161 4.979 -0.786 1.00 3.21 H new ATOM 0 HD12 LEU A 57 -3.782 5.075 -1.514 1.00 3.21 H new ATOM 0 HD13 LEU A 57 -2.336 5.237 -2.539 1.00 3.21 H new ATOM 0 HD21 LEU A 57 -0.787 6.978 -0.523 1.00 64.11 H new ATOM 0 HD22 LEU A 57 -0.874 7.336 -2.265 1.00 64.11 H new ATOM 0 HD23 LEU A 57 -1.371 8.565 -1.077 1.00 64.11 H new ATOM 959 N ARG A 58 -4.634 8.969 -5.083 1.00 34.44 N ATOM 960 CA ARG A 58 -5.716 9.272 -6.012 1.00 33.23 C ATOM 961 C ARG A 58 -5.342 8.897 -7.445 1.00 20.12 C ATOM 962 O ARG A 58 -6.134 8.279 -8.157 1.00 4.35 O ATOM 963 CB ARG A 58 -6.088 10.756 -5.965 1.00 71.41 C ATOM 964 CG ARG A 58 -7.202 11.107 -6.936 1.00 0.52 C ATOM 965 CD ARG A 58 -7.360 12.605 -7.118 1.00 75.15 C ATOM 966 NE ARG A 58 -8.347 12.906 -8.151 1.00 24.13 N ATOM 967 CZ ARG A 58 -8.177 13.805 -9.118 1.00 10.41 C ATOM 968 NH1 ARG A 58 -7.085 14.559 -9.151 1.00 71.33 N ATOM 969 NH2 ARG A 58 -9.110 13.956 -10.048 1.00 0.33 N ATOM 0 H ARG A 58 -4.206 9.787 -4.650 1.00 34.44 H new ATOM 0 HA ARG A 58 -6.574 8.676 -5.700 1.00 33.23 H new ATOM 0 HB2 ARG A 58 -6.396 11.018 -4.953 1.00 71.41 H new ATOM 0 HB3 ARG A 58 -5.207 11.356 -6.195 1.00 71.41 H new ATOM 0 HG2 ARG A 58 -6.997 10.646 -7.902 1.00 0.52 H new ATOM 0 HG3 ARG A 58 -8.141 10.687 -6.575 1.00 0.52 H new ATOM 0 HD2 ARG A 58 -7.665 13.059 -6.175 1.00 75.15 H new ATOM 0 HD3 ARG A 58 -6.400 13.045 -7.388 1.00 75.15 H new ATOM 0 HE ARG A 58 -9.228 12.392 -8.130 1.00 24.13 H new ATOM 0 HH11 ARG A 58 -6.369 14.452 -8.432 1.00 71.33 H new ATOM 0 HH12 ARG A 58 -6.962 15.246 -9.895 1.00 71.33 H new ATOM 0 HH21 ARG A 58 -9.954 13.384 -10.021 1.00 0.33 H new ATOM 0 HH22 ARG A 58 -8.983 14.644 -10.791 1.00 0.33 H new ATOM 983 N ASP A 59 -4.139 9.277 -7.866 1.00 40.13 N ATOM 984 CA ASP A 59 -3.699 9.038 -9.240 1.00 32.53 C ATOM 985 C ASP A 59 -3.642 7.548 -9.538 1.00 42.41 C ATOM 986 O ASP A 59 -4.042 7.104 -10.613 1.00 42.24 O ATOM 987 CB ASP A 59 -2.330 9.675 -9.499 1.00 31.02 C ATOM 988 CG ASP A 59 -1.882 9.521 -10.943 1.00 33.30 C ATOM 989 OD1 ASP A 59 -2.565 10.061 -11.840 1.00 72.10 O ATOM 990 OD2 ASP A 59 -0.849 8.862 -11.189 1.00 32.34 O ATOM 0 H ASP A 59 -3.452 9.750 -7.279 1.00 40.13 H new ATOM 0 HA ASP A 59 -4.428 9.502 -9.905 1.00 32.53 H new ATOM 0 HB2 ASP A 59 -2.372 10.734 -9.246 1.00 31.02 H new ATOM 0 HB3 ASP A 59 -1.590 9.219 -8.841 1.00 31.02 H new ATOM 995 N TYR A 60 -3.166 6.775 -8.571 1.00 70.24 N ATOM 996 CA TYR A 60 -3.080 5.330 -8.724 1.00 40.12 C ATOM 997 C TYR A 60 -4.482 4.719 -8.758 1.00 14.35 C ATOM 998 O TYR A 60 -4.722 3.722 -9.437 1.00 4.34 O ATOM 999 CB TYR A 60 -2.254 4.725 -7.586 1.00 11.11 C ATOM 1000 CG TYR A 60 -1.751 3.326 -7.869 1.00 34.03 C ATOM 1001 CD1 TYR A 60 -0.657 3.118 -8.702 1.00 64.53 C ATOM 1002 CD2 TYR A 60 -2.363 2.215 -7.304 1.00 44.20 C ATOM 1003 CE1 TYR A 60 -0.190 1.844 -8.963 1.00 4.34 C ATOM 1004 CE2 TYR A 60 -1.899 0.940 -7.559 1.00 5.31 C ATOM 1005 CZ TYR A 60 -0.814 0.759 -8.388 1.00 72.15 C ATOM 1006 OH TYR A 60 -0.353 -0.512 -8.642 1.00 63.50 O ATOM 0 H TYR A 60 -2.834 7.125 -7.672 1.00 70.24 H new ATOM 0 HA TYR A 60 -2.582 5.104 -9.667 1.00 40.12 H new ATOM 0 HB2 TYR A 60 -1.401 5.373 -7.385 1.00 11.11 H new ATOM 0 HB3 TYR A 60 -2.860 4.706 -6.680 1.00 11.11 H new ATOM 0 HD1 TYR A 60 -0.164 3.967 -9.153 1.00 64.53 H new ATOM 0 HD2 TYR A 60 -3.215 2.350 -6.655 1.00 44.20 H new ATOM 0 HE1 TYR A 60 0.659 1.700 -9.614 1.00 4.34 H new ATOM 0 HE2 TYR A 60 -2.385 0.087 -7.110 1.00 5.31 H new ATOM 0 HH TYR A 60 -0.904 -1.162 -8.158 1.00 63.50 H new ATOM 1016 N LEU A 61 -5.405 5.336 -8.026 1.00 41.20 N ATOM 1017 CA LEU A 61 -6.809 4.933 -8.035 1.00 54.23 C ATOM 1018 C LEU A 61 -7.426 5.173 -9.408 1.00 31.41 C ATOM 1019 O LEU A 61 -8.097 4.301 -9.965 1.00 5.52 O ATOM 1020 CB LEU A 61 -7.581 5.719 -6.976 1.00 74.33 C ATOM 1021 CG LEU A 61 -9.099 5.538 -6.995 1.00 62.32 C ATOM 1022 CD1 LEU A 61 -9.485 4.143 -6.527 1.00 22.13 C ATOM 1023 CD2 LEU A 61 -9.772 6.598 -6.138 1.00 44.54 C ATOM 0 H LEU A 61 -5.203 6.126 -7.413 1.00 41.20 H new ATOM 0 HA LEU A 61 -6.867 3.868 -7.809 1.00 54.23 H new ATOM 0 HB2 LEU A 61 -7.211 5.429 -5.993 1.00 74.33 H new ATOM 0 HB3 LEU A 61 -7.358 6.779 -7.101 1.00 74.33 H new ATOM 0 HG LEU A 61 -9.444 5.656 -8.022 1.00 62.32 H new ATOM 0 HD11 LEU A 61 -10.570 4.039 -6.549 1.00 22.13 H new ATOM 0 HD12 LEU A 61 -9.036 3.401 -7.186 1.00 22.13 H new ATOM 0 HD13 LEU A 61 -9.127 3.989 -5.509 1.00 22.13 H new ATOM 0 HD21 LEU A 61 -10.852 6.454 -6.163 1.00 44.54 H new ATOM 0 HD22 LEU A 61 -9.418 6.514 -5.110 1.00 44.54 H new ATOM 0 HD23 LEU A 61 -9.529 7.587 -6.525 1.00 44.54 H new ATOM 1035 N ILE A 62 -7.204 6.364 -9.939 1.00 44.14 N ATOM 1036 CA ILE A 62 -7.669 6.709 -11.278 1.00 63.11 C ATOM 1037 C ILE A 62 -7.049 5.771 -12.311 1.00 55.30 C ATOM 1038 O ILE A 62 -7.743 5.240 -13.174 1.00 1.10 O ATOM 1039 CB ILE A 62 -7.332 8.170 -11.645 1.00 70.45 C ATOM 1040 CG1 ILE A 62 -7.942 9.134 -10.624 1.00 41.14 C ATOM 1041 CG2 ILE A 62 -7.830 8.499 -13.048 1.00 0.41 C ATOM 1042 CD1 ILE A 62 -7.592 10.585 -10.874 1.00 73.50 C ATOM 0 H ILE A 62 -6.702 7.114 -9.463 1.00 44.14 H new ATOM 0 HA ILE A 62 -8.753 6.599 -11.282 1.00 63.11 H new ATOM 0 HB ILE A 62 -6.248 8.286 -11.627 1.00 70.45 H new ATOM 0 HG12 ILE A 62 -9.026 9.024 -10.636 1.00 41.14 H new ATOM 0 HG13 ILE A 62 -7.604 8.854 -9.626 1.00 41.14 H new ATOM 0 HG21 ILE A 62 -7.583 9.533 -13.289 1.00 0.41 H new ATOM 0 HG22 ILE A 62 -7.353 7.835 -13.769 1.00 0.41 H new ATOM 0 HG23 ILE A 62 -8.911 8.365 -13.091 1.00 0.41 H new ATOM 0 HD11 ILE A 62 -8.059 11.208 -10.112 1.00 73.50 H new ATOM 0 HD12 ILE A 62 -6.510 10.711 -10.833 1.00 73.50 H new ATOM 0 HD13 ILE A 62 -7.955 10.882 -11.858 1.00 73.50 H new ATOM 1054 N TYR A 63 -5.742 5.562 -12.198 1.00 64.34 N ATOM 1055 CA TYR A 63 -5.016 4.645 -13.075 1.00 14.32 C ATOM 1056 C TYR A 63 -5.627 3.245 -12.996 1.00 35.21 C ATOM 1057 O TYR A 63 -5.775 2.551 -14.006 1.00 23.23 O ATOM 1058 CB TYR A 63 -3.542 4.607 -12.657 1.00 14.10 C ATOM 1059 CG TYR A 63 -2.628 3.880 -13.621 1.00 13.33 C ATOM 1060 CD1 TYR A 63 -2.425 2.508 -13.523 1.00 54.31 C ATOM 1061 CD2 TYR A 63 -1.951 4.573 -14.617 1.00 64.23 C ATOM 1062 CE1 TYR A 63 -1.576 1.851 -14.391 1.00 62.21 C ATOM 1063 CE2 TYR A 63 -1.104 3.920 -15.489 1.00 14.30 C ATOM 1064 CZ TYR A 63 -0.919 2.562 -15.372 1.00 2.24 C ATOM 1065 OH TYR A 63 -0.063 1.915 -16.232 1.00 61.22 O ATOM 0 H TYR A 63 -5.156 6.020 -11.500 1.00 64.34 H new ATOM 0 HA TYR A 63 -5.089 4.994 -14.105 1.00 14.32 H new ATOM 0 HB2 TYR A 63 -3.185 5.630 -12.541 1.00 14.10 H new ATOM 0 HB3 TYR A 63 -3.468 4.131 -11.679 1.00 14.10 H new ATOM 0 HD1 TYR A 63 -2.939 1.948 -12.756 1.00 54.31 H new ATOM 0 HD2 TYR A 63 -2.090 5.640 -14.710 1.00 64.23 H new ATOM 0 HE1 TYR A 63 -1.427 0.785 -14.302 1.00 62.21 H new ATOM 0 HE2 TYR A 63 -0.588 4.473 -16.260 1.00 14.30 H new ATOM 0 HH TYR A 63 0.317 2.561 -16.863 1.00 61.22 H new ATOM 1075 N MET A 64 -5.989 2.850 -11.783 1.00 30.12 N ATOM 1076 CA MET A 64 -6.623 1.562 -11.532 1.00 62.23 C ATOM 1077 C MET A 64 -7.936 1.443 -12.295 1.00 54.42 C ATOM 1078 O MET A 64 -8.241 0.402 -12.870 1.00 0.55 O ATOM 1079 CB MET A 64 -6.905 1.409 -10.040 1.00 22.54 C ATOM 1080 CG MET A 64 -7.392 0.031 -9.642 1.00 15.02 C ATOM 1081 SD MET A 64 -6.038 -1.076 -9.222 1.00 41.43 S ATOM 1082 CE MET A 64 -5.299 -0.177 -7.856 1.00 24.40 C ATOM 0 H MET A 64 -5.851 3.414 -10.944 1.00 30.12 H new ATOM 0 HA MET A 64 -5.944 0.779 -11.870 1.00 62.23 H new ATOM 0 HB2 MET A 64 -5.995 1.636 -9.484 1.00 22.54 H new ATOM 0 HB3 MET A 64 -7.652 2.146 -9.745 1.00 22.54 H new ATOM 0 HG2 MET A 64 -8.065 0.118 -8.789 1.00 15.02 H new ATOM 0 HG3 MET A 64 -7.969 -0.399 -10.461 1.00 15.02 H new ATOM 0 HE1 MET A 64 -4.765 -0.873 -7.209 1.00 24.40 H new ATOM 0 HE2 MET A 64 -4.602 0.566 -8.244 1.00 24.40 H new ATOM 0 HE3 MET A 64 -6.081 0.323 -7.284 1.00 24.40 H new ATOM 1092 N LYS A 65 -8.708 2.518 -12.285 1.00 4.32 N ATOM 1093 CA LYS A 65 -10.029 2.525 -12.892 1.00 0.32 C ATOM 1094 C LYS A 65 -9.927 2.713 -14.407 1.00 4.14 C ATOM 1095 O LYS A 65 -10.656 2.082 -15.171 1.00 14.13 O ATOM 1096 CB LYS A 65 -10.872 3.638 -12.255 1.00 52.23 C ATOM 1097 CG LYS A 65 -12.377 3.436 -12.364 1.00 74.54 C ATOM 1098 CD LYS A 65 -12.938 3.953 -13.677 1.00 61.33 C ATOM 1099 CE LYS A 65 -14.449 3.807 -13.715 1.00 14.54 C ATOM 1100 NZ LYS A 65 -15.046 4.461 -14.906 1.00 52.05 N ATOM 0 H LYS A 65 -8.439 3.405 -11.859 1.00 4.32 H new ATOM 0 HA LYS A 65 -10.514 1.565 -12.713 1.00 0.32 H new ATOM 0 HB2 LYS A 65 -10.605 3.720 -11.201 1.00 52.23 H new ATOM 0 HB3 LYS A 65 -10.611 4.587 -12.724 1.00 52.23 H new ATOM 0 HG2 LYS A 65 -12.606 2.375 -12.267 1.00 74.54 H new ATOM 0 HG3 LYS A 65 -12.870 3.945 -11.536 1.00 74.54 H new ATOM 0 HD2 LYS A 65 -12.666 5.001 -13.806 1.00 61.33 H new ATOM 0 HD3 LYS A 65 -12.494 3.404 -14.508 1.00 61.33 H new ATOM 0 HE2 LYS A 65 -14.710 2.749 -13.715 1.00 14.54 H new ATOM 0 HE3 LYS A 65 -14.877 4.241 -12.811 1.00 14.54 H new ATOM 0 HZ1 LYS A 65 -16.078 4.336 -14.890 1.00 52.05 H new ATOM 0 HZ2 LYS A 65 -14.820 5.476 -14.894 1.00 52.05 H new ATOM 0 HZ3 LYS A 65 -14.658 4.030 -15.770 1.00 52.05 H new ATOM 1114 N LYS A 66 -9.003 3.564 -14.831 1.00 73.33 N ATOM 1115 CA LYS A 66 -8.840 3.889 -16.244 1.00 64.54 C ATOM 1116 C LYS A 66 -8.100 2.785 -16.995 1.00 51.23 C ATOM 1117 O LYS A 66 -8.671 2.107 -17.849 1.00 33.31 O ATOM 1118 CB LYS A 66 -8.060 5.204 -16.382 1.00 13.02 C ATOM 1119 CG LYS A 66 -7.663 5.548 -17.811 1.00 53.35 C ATOM 1120 CD LYS A 66 -6.552 6.584 -17.840 1.00 12.05 C ATOM 1121 CE LYS A 66 -6.017 6.787 -19.248 1.00 51.35 C ATOM 1122 NZ LYS A 66 -4.816 7.662 -19.267 1.00 74.24 N ATOM 0 H LYS A 66 -8.350 4.046 -14.213 1.00 73.33 H new ATOM 0 HA LYS A 66 -9.834 3.990 -16.680 1.00 64.54 H new ATOM 0 HB2 LYS A 66 -8.665 6.016 -15.980 1.00 13.02 H new ATOM 0 HB3 LYS A 66 -7.159 5.145 -15.771 1.00 13.02 H new ATOM 0 HG2 LYS A 66 -7.335 4.646 -18.327 1.00 53.35 H new ATOM 0 HG3 LYS A 66 -8.531 5.927 -18.351 1.00 53.35 H new ATOM 0 HD2 LYS A 66 -6.926 7.531 -17.452 1.00 12.05 H new ATOM 0 HD3 LYS A 66 -5.741 6.268 -17.183 1.00 12.05 H new ATOM 0 HE2 LYS A 66 -5.768 5.820 -19.684 1.00 51.35 H new ATOM 0 HE3 LYS A 66 -6.795 7.226 -19.872 1.00 51.35 H new ATOM 0 HZ1 LYS A 66 -4.484 7.774 -20.246 1.00 74.24 H new ATOM 0 HZ2 LYS A 66 -5.059 8.594 -18.875 1.00 74.24 H new ATOM 0 HZ3 LYS A 66 -4.063 7.231 -18.693 1.00 74.24 H new ATOM 1136 N THR A 67 -6.839 2.586 -16.641 1.00 22.43 N ATOM 1137 CA THR A 67 -5.960 1.707 -17.396 1.00 64.44 C ATOM 1138 C THR A 67 -6.204 0.239 -17.056 1.00 23.14 C ATOM 1139 O THR A 67 -6.286 -0.612 -17.944 1.00 71.42 O ATOM 1140 CB THR A 67 -4.486 2.066 -17.130 1.00 12.42 C ATOM 1141 OG1 THR A 67 -4.323 3.492 -17.180 1.00 21.41 O ATOM 1142 CG2 THR A 67 -3.569 1.415 -18.152 1.00 35.53 C ATOM 0 H THR A 67 -6.400 3.024 -15.831 1.00 22.43 H new ATOM 0 HA THR A 67 -6.183 1.851 -18.453 1.00 64.44 H new ATOM 0 HB THR A 67 -4.216 1.694 -16.142 1.00 12.42 H new ATOM 0 HG1 THR A 67 -3.687 3.773 -16.489 1.00 21.41 H new ATOM 0 HG21 THR A 67 -2.535 1.687 -17.938 1.00 35.53 H new ATOM 0 HG22 THR A 67 -3.678 0.332 -18.100 1.00 35.53 H new ATOM 0 HG23 THR A 67 -3.836 1.759 -19.151 1.00 35.53 H new ATOM 1150 N LEU A 68 -6.322 -0.052 -15.771 1.00 43.23 N ATOM 1151 CA LEU A 68 -6.524 -1.421 -15.321 1.00 33.32 C ATOM 1152 C LEU A 68 -8.004 -1.785 -15.346 1.00 12.20 C ATOM 1153 O LEU A 68 -8.359 -2.959 -15.403 1.00 60.03 O ATOM 1154 CB LEU A 68 -5.954 -1.604 -13.915 1.00 74.23 C ATOM 1155 CG LEU A 68 -4.454 -1.333 -13.782 1.00 0.12 C ATOM 1156 CD1 LEU A 68 -4.012 -1.490 -12.335 1.00 61.34 C ATOM 1157 CD2 LEU A 68 -3.660 -2.266 -14.685 1.00 61.41 C ATOM 0 H LEU A 68 -6.282 0.639 -15.022 1.00 43.23 H new ATOM 0 HA LEU A 68 -5.997 -2.089 -16.003 1.00 33.32 H new ATOM 0 HB2 LEU A 68 -6.489 -0.942 -13.234 1.00 74.23 H new ATOM 0 HB3 LEU A 68 -6.153 -2.625 -13.589 1.00 74.23 H new ATOM 0 HG LEU A 68 -4.261 -0.306 -14.093 1.00 0.12 H new ATOM 0 HD11 LEU A 68 -2.943 -1.294 -12.258 1.00 61.34 H new ATOM 0 HD12 LEU A 68 -4.557 -0.783 -11.709 1.00 61.34 H new ATOM 0 HD13 LEU A 68 -4.220 -2.506 -11.999 1.00 61.34 H new ATOM 0 HD21 LEU A 68 -2.595 -2.058 -14.577 1.00 61.41 H new ATOM 0 HD22 LEU A 68 -3.858 -3.300 -14.404 1.00 61.41 H new ATOM 0 HD23 LEU A 68 -3.957 -2.108 -15.722 1.00 61.41 H new ATOM 1169 N CYS A 69 -8.852 -0.760 -15.308 1.00 23.11 N ATOM 1170 CA CYS A 69 -10.303 -0.927 -15.337 1.00 53.34 C ATOM 1171 C CYS A 69 -10.797 -1.763 -14.151 1.00 42.15 C ATOM 1172 O CYS A 69 -11.077 -2.957 -14.288 1.00 23.23 O ATOM 1173 CB CYS A 69 -10.745 -1.555 -16.660 1.00 15.41 C ATOM 1174 SG CYS A 69 -10.143 -0.683 -18.128 1.00 62.11 S ATOM 0 H CYS A 69 -8.551 0.213 -15.256 1.00 23.11 H new ATOM 0 HA CYS A 69 -10.752 0.063 -15.253 1.00 53.34 H new ATOM 0 HB2 CYS A 69 -10.396 -2.587 -16.695 1.00 15.41 H new ATOM 0 HB3 CYS A 69 -11.834 -1.586 -16.690 1.00 15.41 H new ATOM 0 HG CYS A 69 -9.561 0.422 -17.768 1.00 62.11 H new ATOM 1180 N ASN A 70 -10.872 -1.132 -12.983 1.00 61.55 N ATOM 1181 CA ASN A 70 -11.357 -1.787 -11.770 1.00 73.43 C ATOM 1182 C ASN A 70 -12.185 -0.812 -10.950 1.00 44.24 C ATOM 1183 O ASN A 70 -12.038 0.403 -11.089 1.00 42.34 O ATOM 1184 CB ASN A 70 -10.195 -2.309 -10.910 1.00 4.33 C ATOM 1185 CG ASN A 70 -9.417 -3.431 -11.567 1.00 31.41 C ATOM 1186 OD1 ASN A 70 -9.766 -4.604 -11.440 1.00 14.22 O ATOM 1187 ND2 ASN A 70 -8.345 -3.081 -12.255 1.00 61.34 N ATOM 0 H ASN A 70 -10.600 -0.158 -12.850 1.00 61.55 H new ATOM 0 HA ASN A 70 -11.971 -2.635 -12.074 1.00 73.43 H new ATOM 0 HB2 ASN A 70 -9.516 -1.485 -10.692 1.00 4.33 H new ATOM 0 HB3 ASN A 70 -10.588 -2.660 -9.956 1.00 4.33 H new ATOM 0 HD21 ASN A 70 -7.772 -3.795 -12.705 1.00 61.34 H new ATOM 0 HD22 ASN A 70 -8.090 -2.097 -12.336 1.00 61.34 H new ATOM 1194 N ALA A 71 -13.053 -1.346 -10.100 1.00 72.51 N ATOM 1195 CA ALA A 71 -13.871 -0.521 -9.221 1.00 61.55 C ATOM 1196 C ALA A 71 -13.067 -0.082 -8.001 1.00 72.12 C ATOM 1197 O ALA A 71 -11.979 -0.608 -7.743 1.00 62.42 O ATOM 1198 CB ALA A 71 -15.119 -1.282 -8.791 1.00 32.25 C ATOM 0 H ALA A 71 -13.209 -2.349 -10.001 1.00 72.51 H new ATOM 0 HA ALA A 71 -14.179 0.370 -9.769 1.00 61.55 H new ATOM 0 HB1 ALA A 71 -15.720 -0.653 -8.135 1.00 32.25 H new ATOM 0 HB2 ALA A 71 -15.703 -1.550 -9.671 1.00 32.25 H new ATOM 0 HB3 ALA A 71 -14.828 -2.188 -8.259 1.00 32.25 H new ATOM 1204 N ASP A 72 -13.609 0.869 -7.241 1.00 25.10 N ATOM 1205 CA ASP A 72 -12.917 1.387 -6.061 1.00 65.03 C ATOM 1206 C ASP A 72 -12.707 0.278 -5.038 1.00 73.44 C ATOM 1207 O ASP A 72 -11.721 0.284 -4.311 1.00 61.01 O ATOM 1208 CB ASP A 72 -13.677 2.562 -5.419 1.00 41.15 C ATOM 1209 CG ASP A 72 -14.823 2.132 -4.516 1.00 53.24 C ATOM 1210 OD1 ASP A 72 -15.882 1.720 -5.038 1.00 22.53 O ATOM 1211 OD2 ASP A 72 -14.677 2.222 -3.280 1.00 35.22 O ATOM 0 H ASP A 72 -14.519 1.294 -7.419 1.00 25.10 H new ATOM 0 HA ASP A 72 -11.947 1.760 -6.391 1.00 65.03 H new ATOM 0 HB2 ASP A 72 -12.976 3.163 -4.840 1.00 41.15 H new ATOM 0 HB3 ASP A 72 -14.070 3.203 -6.208 1.00 41.15 H new ATOM 1216 N SER A 73 -13.624 -0.684 -5.008 1.00 41.20 N ATOM 1217 CA SER A 73 -13.519 -1.817 -4.099 1.00 45.32 C ATOM 1218 C SER A 73 -12.198 -2.557 -4.317 1.00 32.43 C ATOM 1219 O SER A 73 -11.407 -2.719 -3.390 1.00 53.21 O ATOM 1220 CB SER A 73 -14.698 -2.765 -4.322 1.00 62.11 C ATOM 1221 OG SER A 73 -15.928 -2.055 -4.359 1.00 52.53 O ATOM 0 H SER A 73 -14.450 -0.700 -5.606 1.00 41.20 H new ATOM 0 HA SER A 73 -13.542 -1.451 -3.073 1.00 45.32 H new ATOM 0 HB2 SER A 73 -14.560 -3.308 -5.257 1.00 62.11 H new ATOM 0 HB3 SER A 73 -14.727 -3.507 -3.524 1.00 62.11 H new ATOM 0 HG SER A 73 -16.665 -2.685 -4.504 1.00 52.53 H new ATOM 1227 N THR A 74 -11.956 -2.970 -5.558 1.00 32.25 N ATOM 1228 CA THR A 74 -10.740 -3.686 -5.915 1.00 54.51 C ATOM 1229 C THR A 74 -9.505 -2.813 -5.689 1.00 54.31 C ATOM 1230 O THR A 74 -8.479 -3.279 -5.186 1.00 55.35 O ATOM 1231 CB THR A 74 -10.790 -4.119 -7.393 1.00 52.23 C ATOM 1232 OG1 THR A 74 -12.099 -4.617 -7.706 1.00 22.42 O ATOM 1233 CG2 THR A 74 -9.757 -5.197 -7.679 1.00 3.14 C ATOM 0 H THR A 74 -12.595 -2.818 -6.339 1.00 32.25 H new ATOM 0 HA THR A 74 -10.672 -4.567 -5.277 1.00 54.51 H new ATOM 0 HB THR A 74 -10.566 -3.251 -8.012 1.00 52.23 H new ATOM 0 HG1 THR A 74 -12.129 -4.890 -8.647 1.00 22.42 H new ATOM 0 HG21 THR A 74 -9.813 -5.485 -8.729 1.00 3.14 H new ATOM 0 HG22 THR A 74 -8.760 -4.813 -7.461 1.00 3.14 H new ATOM 0 HG23 THR A 74 -9.956 -6.067 -7.053 1.00 3.14 H new ATOM 1241 N ALA A 75 -9.627 -1.540 -6.046 1.00 63.42 N ATOM 1242 CA ALA A 75 -8.520 -0.594 -5.944 1.00 3.34 C ATOM 1243 C ALA A 75 -8.122 -0.345 -4.496 1.00 54.43 C ATOM 1244 O ALA A 75 -6.936 -0.295 -4.174 1.00 21.15 O ATOM 1245 CB ALA A 75 -8.896 0.717 -6.612 1.00 71.23 C ATOM 0 H ALA A 75 -10.489 -1.136 -6.412 1.00 63.42 H new ATOM 0 HA ALA A 75 -7.661 -1.031 -6.453 1.00 3.34 H new ATOM 0 HB1 ALA A 75 -8.065 1.418 -6.532 1.00 71.23 H new ATOM 0 HB2 ALA A 75 -9.120 0.538 -7.664 1.00 71.23 H new ATOM 0 HB3 ALA A 75 -9.774 1.137 -6.121 1.00 71.23 H new ATOM 1251 N GLN A 76 -9.116 -0.196 -3.627 1.00 24.11 N ATOM 1252 CA GLN A 76 -8.874 0.089 -2.229 1.00 1.23 C ATOM 1253 C GLN A 76 -8.121 -1.044 -1.551 1.00 52.12 C ATOM 1254 O GLN A 76 -7.349 -0.809 -0.636 1.00 2.34 O ATOM 1255 CB GLN A 76 -10.194 0.356 -1.518 1.00 51.04 C ATOM 1256 CG GLN A 76 -10.778 1.734 -1.810 1.00 23.54 C ATOM 1257 CD GLN A 76 -9.936 2.875 -1.256 1.00 62.43 C ATOM 1258 OE1 GLN A 76 -8.716 2.769 -1.124 1.00 44.04 O ATOM 1259 NE2 GLN A 76 -10.584 3.982 -0.941 1.00 64.53 N ATOM 0 H GLN A 76 -10.103 -0.270 -3.875 1.00 24.11 H new ATOM 0 HA GLN A 76 -8.249 0.980 -2.167 1.00 1.23 H new ATOM 0 HB2 GLN A 76 -10.916 -0.405 -1.813 1.00 51.04 H new ATOM 0 HB3 GLN A 76 -10.045 0.254 -0.443 1.00 51.04 H new ATOM 0 HG2 GLN A 76 -10.879 1.857 -2.888 1.00 23.54 H new ATOM 0 HG3 GLN A 76 -11.781 1.793 -1.387 1.00 23.54 H new ATOM 0 HE21 GLN A 76 -11.595 4.033 -1.064 1.00 64.53 H new ATOM 0 HE22 GLN A 76 -10.073 4.785 -0.575 1.00 64.53 H new ATOM 1268 N ARG A 77 -8.341 -2.271 -2.004 1.00 2.45 N ATOM 1269 CA ARG A 77 -7.584 -3.414 -1.491 1.00 32.45 C ATOM 1270 C ARG A 77 -6.090 -3.223 -1.752 1.00 34.32 C ATOM 1271 O ARG A 77 -5.257 -3.474 -0.878 1.00 74.21 O ATOM 1272 CB ARG A 77 -8.058 -4.728 -2.125 1.00 53.42 C ATOM 1273 CG ARG A 77 -9.216 -5.405 -1.401 1.00 14.05 C ATOM 1274 CD ARG A 77 -10.421 -4.487 -1.262 1.00 71.31 C ATOM 1275 NE ARG A 77 -11.628 -5.211 -0.867 1.00 25.13 N ATOM 1276 CZ ARG A 77 -12.795 -4.623 -0.590 1.00 23.42 C ATOM 1277 NH1 ARG A 77 -12.906 -3.298 -0.632 1.00 11.51 N ATOM 1278 NH2 ARG A 77 -13.852 -5.362 -0.275 1.00 73.14 N ATOM 0 H ARG A 77 -9.030 -2.503 -2.719 1.00 2.45 H new ATOM 0 HA ARG A 77 -7.758 -3.471 -0.416 1.00 32.45 H new ATOM 0 HB2 ARG A 77 -8.357 -4.531 -3.155 1.00 53.42 H new ATOM 0 HB3 ARG A 77 -7.217 -5.421 -2.164 1.00 53.42 H new ATOM 0 HG2 ARG A 77 -9.507 -6.304 -1.945 1.00 14.05 H new ATOM 0 HG3 ARG A 77 -8.888 -5.723 -0.412 1.00 14.05 H new ATOM 0 HD2 ARG A 77 -10.204 -3.716 -0.523 1.00 71.31 H new ATOM 0 HD3 ARG A 77 -10.599 -3.979 -2.210 1.00 71.31 H new ATOM 0 HE ARG A 77 -11.576 -6.227 -0.799 1.00 25.13 H new ATOM 0 HH11 ARG A 77 -12.098 -2.726 -0.877 1.00 11.51 H new ATOM 0 HH12 ARG A 77 -13.799 -2.854 -0.420 1.00 11.51 H new ATOM 0 HH21 ARG A 77 -13.773 -6.378 -0.245 1.00 73.14 H new ATOM 0 HH22 ARG A 77 -14.743 -4.913 -0.063 1.00 73.14 H new ATOM 1292 N ASN A 78 -5.762 -2.765 -2.956 1.00 10.14 N ATOM 1293 CA ASN A 78 -4.385 -2.490 -3.326 1.00 15.22 C ATOM 1294 C ASN A 78 -3.844 -1.312 -2.526 1.00 21.52 C ATOM 1295 O ASN A 78 -2.788 -1.400 -1.896 1.00 73.11 O ATOM 1296 CB ASN A 78 -4.308 -2.181 -4.817 1.00 24.14 C ATOM 1297 CG ASN A 78 -2.883 -2.050 -5.303 1.00 54.30 C ATOM 1298 OD1 ASN A 78 -2.295 -0.973 -5.259 1.00 43.23 O ATOM 1299 ND2 ASN A 78 -2.328 -3.145 -5.783 1.00 45.31 N ATOM 0 H ASN A 78 -6.440 -2.576 -3.695 1.00 10.14 H new ATOM 0 HA ASN A 78 -3.779 -3.369 -3.105 1.00 15.22 H new ATOM 0 HB2 ASN A 78 -4.809 -2.971 -5.376 1.00 24.14 H new ATOM 0 HB3 ASN A 78 -4.846 -1.256 -5.022 1.00 24.14 H new ATOM 0 HD21 ASN A 78 -1.372 -3.119 -6.138 1.00 45.31 H new ATOM 0 HD22 ASN A 78 -2.855 -4.018 -5.800 1.00 45.31 H new ATOM 1306 N LEU A 79 -4.597 -0.222 -2.535 1.00 41.41 N ATOM 1307 CA LEU A 79 -4.200 1.001 -1.847 1.00 11.22 C ATOM 1308 C LEU A 79 -4.082 0.776 -0.343 1.00 31.31 C ATOM 1309 O LEU A 79 -3.236 1.377 0.316 1.00 3.42 O ATOM 1310 CB LEU A 79 -5.204 2.121 -2.137 1.00 4.21 C ATOM 1311 CG LEU A 79 -5.274 2.568 -3.600 1.00 33.30 C ATOM 1312 CD1 LEU A 79 -6.350 3.625 -3.785 1.00 41.12 C ATOM 1313 CD2 LEU A 79 -3.924 3.098 -4.060 1.00 0.15 C ATOM 0 H LEU A 79 -5.495 -0.158 -3.015 1.00 41.41 H new ATOM 0 HA LEU A 79 -3.220 1.295 -2.222 1.00 11.22 H new ATOM 0 HB2 LEU A 79 -6.195 1.789 -1.827 1.00 4.21 H new ATOM 0 HB3 LEU A 79 -4.950 2.984 -1.521 1.00 4.21 H new ATOM 0 HG LEU A 79 -5.533 1.703 -4.211 1.00 33.30 H new ATOM 0 HD11 LEU A 79 -6.384 3.930 -4.831 1.00 41.12 H new ATOM 0 HD12 LEU A 79 -7.317 3.214 -3.495 1.00 41.12 H new ATOM 0 HD13 LEU A 79 -6.121 4.490 -3.162 1.00 41.12 H new ATOM 0 HD21 LEU A 79 -3.992 3.411 -5.102 1.00 0.15 H new ATOM 0 HD22 LEU A 79 -3.638 3.950 -3.443 1.00 0.15 H new ATOM 0 HD23 LEU A 79 -3.174 2.313 -3.965 1.00 0.15 H new ATOM 1325 N SER A 80 -4.925 -0.098 0.194 1.00 54.02 N ATOM 1326 CA SER A 80 -4.888 -0.431 1.611 1.00 44.53 C ATOM 1327 C SER A 80 -3.594 -1.161 1.952 1.00 20.43 C ATOM 1328 O SER A 80 -3.049 -0.991 3.039 1.00 20.02 O ATOM 1329 CB SER A 80 -6.099 -1.289 1.997 1.00 64.21 C ATOM 1330 OG SER A 80 -6.201 -1.438 3.402 1.00 73.11 O ATOM 0 H SER A 80 -5.645 -0.590 -0.334 1.00 54.02 H new ATOM 0 HA SER A 80 -4.927 0.497 2.181 1.00 44.53 H new ATOM 0 HB2 SER A 80 -7.009 -0.830 1.611 1.00 64.21 H new ATOM 0 HB3 SER A 80 -6.015 -2.271 1.531 1.00 64.21 H new ATOM 0 HG SER A 80 -6.983 -1.988 3.617 1.00 73.11 H new ATOM 1336 N THR A 81 -3.098 -1.956 1.010 1.00 51.01 N ATOM 1337 CA THR A 81 -1.832 -2.653 1.193 1.00 41.14 C ATOM 1338 C THR A 81 -0.700 -1.635 1.343 1.00 14.23 C ATOM 1339 O THR A 81 0.178 -1.772 2.200 1.00 32.22 O ATOM 1340 CB THR A 81 -1.547 -3.608 0.013 1.00 24.12 C ATOM 1341 OG1 THR A 81 -2.661 -4.497 -0.177 1.00 24.41 O ATOM 1342 CG2 THR A 81 -0.288 -4.426 0.263 1.00 73.23 C ATOM 0 H THR A 81 -3.553 -2.133 0.114 1.00 51.01 H new ATOM 0 HA THR A 81 -1.895 -3.255 2.099 1.00 41.14 H new ATOM 0 HB THR A 81 -1.398 -3.004 -0.882 1.00 24.12 H new ATOM 0 HG1 THR A 81 -3.438 -3.986 -0.485 1.00 24.41 H new ATOM 0 HG21 THR A 81 -0.111 -5.090 -0.583 1.00 73.23 H new ATOM 0 HG22 THR A 81 0.563 -3.756 0.383 1.00 73.23 H new ATOM 0 HG23 THR A 81 -0.413 -5.019 1.169 1.00 73.23 H new ATOM 1350 N ILE A 82 -0.752 -0.593 0.520 1.00 5.53 N ATOM 1351 CA ILE A 82 0.167 0.530 0.633 1.00 1.42 C ATOM 1352 C ILE A 82 -0.066 1.265 1.949 1.00 20.43 C ATOM 1353 O ILE A 82 0.874 1.619 2.662 1.00 71.42 O ATOM 1354 CB ILE A 82 -0.017 1.520 -0.544 1.00 41.42 C ATOM 1355 CG1 ILE A 82 0.311 0.833 -1.873 1.00 21.10 C ATOM 1356 CG2 ILE A 82 0.849 2.760 -0.354 1.00 24.33 C ATOM 1357 CD1 ILE A 82 0.031 1.689 -3.091 1.00 61.04 C ATOM 0 H ILE A 82 -1.428 -0.505 -0.239 1.00 5.53 H new ATOM 0 HA ILE A 82 1.183 0.137 0.605 1.00 1.42 H new ATOM 0 HB ILE A 82 -1.060 1.837 -0.563 1.00 41.42 H new ATOM 0 HG12 ILE A 82 1.363 0.549 -1.874 1.00 21.10 H new ATOM 0 HG13 ILE A 82 -0.267 -0.088 -1.947 1.00 21.10 H new ATOM 0 HG21 ILE A 82 0.701 3.439 -1.194 1.00 24.33 H new ATOM 0 HG22 ILE A 82 0.568 3.262 0.572 1.00 24.33 H new ATOM 0 HG23 ILE A 82 1.898 2.467 -0.304 1.00 24.33 H new ATOM 0 HD11 ILE A 82 0.288 1.134 -3.993 1.00 61.04 H new ATOM 0 HD12 ILE A 82 -1.027 1.951 -3.116 1.00 61.04 H new ATOM 0 HD13 ILE A 82 0.629 2.599 -3.042 1.00 61.04 H new ATOM 1369 N LYS A 83 -1.335 1.459 2.266 1.00 72.43 N ATOM 1370 CA LYS A 83 -1.744 2.165 3.468 1.00 62.02 C ATOM 1371 C LYS A 83 -1.165 1.502 4.713 1.00 1.05 C ATOM 1372 O LYS A 83 -0.817 2.183 5.667 1.00 31.20 O ATOM 1373 CB LYS A 83 -3.277 2.210 3.528 1.00 12.45 C ATOM 1374 CG LYS A 83 -3.847 3.421 4.252 1.00 33.32 C ATOM 1375 CD LYS A 83 -3.874 3.232 5.757 1.00 22.22 C ATOM 1376 CE LYS A 83 -4.365 4.489 6.449 1.00 31.30 C ATOM 1377 NZ LYS A 83 -4.477 4.320 7.921 1.00 53.52 N ATOM 0 H LYS A 83 -2.113 1.130 1.695 1.00 72.43 H new ATOM 0 HA LYS A 83 -1.358 3.184 3.436 1.00 62.02 H new ATOM 0 HB2 LYS A 83 -3.668 2.194 2.511 1.00 12.45 H new ATOM 0 HB3 LYS A 83 -3.635 1.306 4.021 1.00 12.45 H new ATOM 0 HG2 LYS A 83 -3.251 4.301 4.009 1.00 33.32 H new ATOM 0 HG3 LYS A 83 -4.858 3.613 3.894 1.00 33.32 H new ATOM 0 HD2 LYS A 83 -4.523 2.394 6.011 1.00 22.22 H new ATOM 0 HD3 LYS A 83 -2.875 2.981 6.115 1.00 22.22 H new ATOM 0 HE2 LYS A 83 -3.682 5.310 6.232 1.00 31.30 H new ATOM 0 HE3 LYS A 83 -5.338 4.767 6.043 1.00 31.30 H new ATOM 0 HZ1 LYS A 83 -4.429 5.251 8.382 1.00 53.52 H new ATOM 0 HZ2 LYS A 83 -5.384 3.866 8.150 1.00 53.52 H new ATOM 0 HZ3 LYS A 83 -3.696 3.724 8.262 1.00 53.52 H new ATOM 1391 N ILE A 84 -1.033 0.180 4.684 1.00 62.33 N ATOM 1392 CA ILE A 84 -0.494 -0.559 5.820 1.00 5.21 C ATOM 1393 C ILE A 84 0.938 -0.129 6.142 1.00 63.44 C ATOM 1394 O ILE A 84 1.228 0.269 7.273 1.00 65.34 O ATOM 1395 CB ILE A 84 -0.527 -2.089 5.577 1.00 75.41 C ATOM 1396 CG1 ILE A 84 -1.965 -2.572 5.378 1.00 5.02 C ATOM 1397 CG2 ILE A 84 0.121 -2.830 6.738 1.00 31.21 C ATOM 1398 CD1 ILE A 84 -2.070 -4.038 5.016 1.00 12.41 C ATOM 0 H ILE A 84 -1.292 -0.401 3.887 1.00 62.33 H new ATOM 0 HA ILE A 84 -1.134 -0.325 6.671 1.00 5.21 H new ATOM 0 HB ILE A 84 0.039 -2.301 4.670 1.00 75.41 H new ATOM 0 HG12 ILE A 84 -2.529 -2.391 6.293 1.00 5.02 H new ATOM 0 HG13 ILE A 84 -2.433 -1.978 4.593 1.00 5.02 H new ATOM 0 HG21 ILE A 84 0.088 -3.903 6.549 1.00 31.21 H new ATOM 0 HG22 ILE A 84 1.158 -2.511 6.840 1.00 31.21 H new ATOM 0 HG23 ILE A 84 -0.419 -2.607 7.658 1.00 31.21 H new ATOM 0 HD11 ILE A 84 -3.119 -4.308 4.891 1.00 12.41 H new ATOM 0 HD12 ILE A 84 -1.534 -4.222 4.085 1.00 12.41 H new ATOM 0 HD13 ILE A 84 -1.633 -4.641 5.811 1.00 12.41 H new ATOM 1410 N TYR A 85 1.835 -0.186 5.157 1.00 2.13 N ATOM 1411 CA TYR A 85 3.238 0.073 5.426 1.00 54.04 C ATOM 1412 C TYR A 85 3.479 1.562 5.650 1.00 72.30 C ATOM 1413 O TYR A 85 4.382 1.952 6.392 1.00 24.31 O ATOM 1414 CB TYR A 85 4.130 -0.490 4.307 1.00 62.10 C ATOM 1415 CG TYR A 85 4.203 0.335 3.038 1.00 22.01 C ATOM 1416 CD1 TYR A 85 5.107 1.385 2.919 1.00 52.31 C ATOM 1417 CD2 TYR A 85 3.391 0.049 1.953 1.00 55.42 C ATOM 1418 CE1 TYR A 85 5.190 2.130 1.759 1.00 53.41 C ATOM 1419 CE2 TYR A 85 3.472 0.787 0.788 1.00 43.35 C ATOM 1420 CZ TYR A 85 4.371 1.825 0.697 1.00 22.13 C ATOM 1421 OH TYR A 85 4.447 2.564 -0.461 1.00 63.45 O ATOM 0 H TYR A 85 1.615 -0.405 4.185 1.00 2.13 H new ATOM 0 HA TYR A 85 3.512 -0.445 6.345 1.00 54.04 H new ATOM 0 HB2 TYR A 85 5.140 -0.607 4.699 1.00 62.10 H new ATOM 0 HB3 TYR A 85 3.770 -1.486 4.049 1.00 62.10 H new ATOM 0 HD1 TYR A 85 5.756 1.622 3.749 1.00 52.31 H new ATOM 0 HD2 TYR A 85 2.683 -0.764 2.019 1.00 55.42 H new ATOM 0 HE1 TYR A 85 5.893 2.946 1.686 1.00 53.41 H new ATOM 0 HE2 TYR A 85 2.832 0.550 -0.049 1.00 43.35 H new ATOM 0 HH TYR A 85 5.360 2.902 -0.574 1.00 63.45 H new ATOM 1431 N VAL A 86 2.654 2.391 5.024 1.00 13.43 N ATOM 1432 CA VAL A 86 2.742 3.830 5.212 1.00 24.42 C ATOM 1433 C VAL A 86 2.221 4.216 6.592 1.00 4.02 C ATOM 1434 O VAL A 86 2.806 5.053 7.274 1.00 1.22 O ATOM 1435 CB VAL A 86 1.953 4.594 4.125 1.00 1.52 C ATOM 1436 CG1 VAL A 86 1.977 6.094 4.385 1.00 44.31 C ATOM 1437 CG2 VAL A 86 2.514 4.294 2.746 1.00 22.04 C ATOM 0 H VAL A 86 1.919 2.091 4.384 1.00 13.43 H new ATOM 0 HA VAL A 86 3.792 4.109 5.129 1.00 24.42 H new ATOM 0 HB VAL A 86 0.918 4.255 4.164 1.00 1.52 H new ATOM 0 HG11 VAL A 86 1.414 6.607 3.605 1.00 44.31 H new ATOM 0 HG12 VAL A 86 1.526 6.302 5.355 1.00 44.31 H new ATOM 0 HG13 VAL A 86 3.008 6.448 4.381 1.00 44.31 H new ATOM 0 HG21 VAL A 86 1.945 4.841 1.995 1.00 22.04 H new ATOM 0 HG22 VAL A 86 3.559 4.600 2.704 1.00 22.04 H new ATOM 0 HG23 VAL A 86 2.441 3.225 2.548 1.00 22.04 H new ATOM 1447 N SER A 87 1.135 3.577 7.004 1.00 72.12 N ATOM 1448 CA SER A 87 0.505 3.862 8.287 1.00 63.43 C ATOM 1449 C SER A 87 1.464 3.650 9.447 1.00 0.31 C ATOM 1450 O SER A 87 1.433 4.395 10.423 1.00 22.53 O ATOM 1451 CB SER A 87 -0.738 3.000 8.463 1.00 73.31 C ATOM 1452 OG SER A 87 -1.909 3.786 8.343 1.00 73.04 O ATOM 0 H SER A 87 0.667 2.850 6.462 1.00 72.12 H new ATOM 0 HA SER A 87 0.217 4.913 8.289 1.00 63.43 H new ATOM 0 HB2 SER A 87 -0.747 2.208 7.715 1.00 73.31 H new ATOM 0 HB3 SER A 87 -0.717 2.516 9.439 1.00 73.31 H new ATOM 0 HG SER A 87 -1.858 4.327 7.527 1.00 73.04 H new ATOM 1458 N ALA A 88 2.319 2.643 9.345 1.00 75.23 N ATOM 1459 CA ALA A 88 3.338 2.418 10.360 1.00 61.03 C ATOM 1460 C ALA A 88 4.181 3.677 10.543 1.00 41.11 C ATOM 1461 O ALA A 88 4.432 4.116 11.666 1.00 4.54 O ATOM 1462 CB ALA A 88 4.213 1.230 9.987 1.00 35.11 C ATOM 0 H ALA A 88 2.328 1.973 8.576 1.00 75.23 H new ATOM 0 HA ALA A 88 2.847 2.189 11.306 1.00 61.03 H new ATOM 0 HB1 ALA A 88 4.968 1.078 10.758 1.00 35.11 H new ATOM 0 HB2 ALA A 88 3.596 0.336 9.903 1.00 35.11 H new ATOM 0 HB3 ALA A 88 4.703 1.424 9.033 1.00 35.11 H new ATOM 1468 N ALA A 89 4.560 4.276 9.422 1.00 42.13 N ATOM 1469 CA ALA A 89 5.333 5.509 9.420 1.00 61.50 C ATOM 1470 C ALA A 89 4.478 6.701 9.840 1.00 23.23 C ATOM 1471 O ALA A 89 4.999 7.722 10.270 1.00 1.10 O ATOM 1472 CB ALA A 89 5.947 5.752 8.048 1.00 34.03 C ATOM 0 H ALA A 89 4.341 3.921 8.491 1.00 42.13 H new ATOM 0 HA ALA A 89 6.136 5.400 10.149 1.00 61.50 H new ATOM 0 HB1 ALA A 89 6.521 6.678 8.065 1.00 34.03 H new ATOM 0 HB2 ALA A 89 6.605 4.922 7.792 1.00 34.03 H new ATOM 0 HB3 ALA A 89 5.155 5.830 7.304 1.00 34.03 H new ATOM 1478 N ILE A 90 3.173 6.584 9.684 1.00 24.13 N ATOM 1479 CA ILE A 90 2.270 7.662 10.058 1.00 71.32 C ATOM 1480 C ILE A 90 2.043 7.696 11.567 1.00 44.50 C ATOM 1481 O ILE A 90 2.088 8.756 12.195 1.00 14.43 O ATOM 1482 CB ILE A 90 0.904 7.528 9.348 1.00 11.44 C ATOM 1483 CG1 ILE A 90 1.086 7.547 7.830 1.00 3.50 C ATOM 1484 CG2 ILE A 90 -0.032 8.642 9.788 1.00 4.12 C ATOM 1485 CD1 ILE A 90 -0.187 7.270 7.062 1.00 14.13 C ATOM 0 H ILE A 90 2.713 5.757 9.302 1.00 24.13 H new ATOM 0 HA ILE A 90 2.746 8.591 9.744 1.00 71.32 H new ATOM 0 HB ILE A 90 0.459 6.573 9.628 1.00 11.44 H new ATOM 0 HG12 ILE A 90 1.475 8.520 7.532 1.00 3.50 H new ATOM 0 HG13 ILE A 90 1.835 6.805 7.553 1.00 3.50 H new ATOM 0 HG21 ILE A 90 -0.990 8.534 9.279 1.00 4.12 H new ATOM 0 HG22 ILE A 90 -0.185 8.584 10.866 1.00 4.12 H new ATOM 0 HG23 ILE A 90 0.407 9.607 9.535 1.00 4.12 H new ATOM 0 HD11 ILE A 90 0.020 7.300 5.992 1.00 14.13 H new ATOM 0 HD12 ILE A 90 -0.567 6.284 7.331 1.00 14.13 H new ATOM 0 HD13 ILE A 90 -0.933 8.026 7.309 1.00 14.13 H new ATOM 1497 N LYS A 91 1.808 6.531 12.147 1.00 42.13 N ATOM 1498 CA LYS A 91 1.461 6.444 13.557 1.00 31.54 C ATOM 1499 C LYS A 91 2.707 6.583 14.420 1.00 12.33 C ATOM 1500 O LYS A 91 2.689 7.261 15.448 1.00 11.13 O ATOM 1501 CB LYS A 91 0.712 5.141 13.867 1.00 32.53 C ATOM 1502 CG LYS A 91 -0.771 5.159 13.481 1.00 32.11 C ATOM 1503 CD LYS A 91 -0.978 5.219 11.972 1.00 12.33 C ATOM 1504 CE LYS A 91 -2.451 5.133 11.587 1.00 61.30 C ATOM 1505 NZ LYS A 91 -3.196 6.388 11.882 1.00 60.55 N ATOM 0 H LYS A 91 1.851 5.633 11.665 1.00 42.13 H new ATOM 0 HA LYS A 91 0.789 7.269 13.794 1.00 31.54 H new ATOM 0 HB2 LYS A 91 1.202 4.320 13.343 1.00 32.53 H new ATOM 0 HB3 LYS A 91 0.795 4.933 14.934 1.00 32.53 H new ATOM 0 HG2 LYS A 91 -1.257 4.267 13.877 1.00 32.11 H new ATOM 0 HG3 LYS A 91 -1.254 6.018 13.946 1.00 32.11 H new ATOM 0 HD2 LYS A 91 -0.557 6.148 11.586 1.00 12.33 H new ATOM 0 HD3 LYS A 91 -0.433 4.402 11.500 1.00 12.33 H new ATOM 0 HE2 LYS A 91 -2.532 4.909 10.523 1.00 61.30 H new ATOM 0 HE3 LYS A 91 -2.915 4.305 12.123 1.00 61.30 H new ATOM 0 HZ1 LYS A 91 -4.070 6.160 12.397 1.00 60.55 H new ATOM 0 HZ2 LYS A 91 -2.604 7.014 12.465 1.00 60.55 H new ATOM 0 HZ3 LYS A 91 -3.435 6.868 10.991 1.00 60.55 H new ATOM 1519 N LYS A 92 3.794 5.953 13.998 1.00 61.41 N ATOM 1520 CA LYS A 92 5.064 6.102 14.686 1.00 12.32 C ATOM 1521 C LYS A 92 6.219 5.954 13.707 1.00 3.35 C ATOM 1522 O LYS A 92 6.920 4.943 13.689 1.00 32.55 O ATOM 1523 CB LYS A 92 5.203 5.099 15.833 1.00 64.11 C ATOM 1524 CG LYS A 92 6.443 5.330 16.680 1.00 24.24 C ATOM 1525 CD LYS A 92 6.457 6.730 17.272 1.00 2.05 C ATOM 1526 CE LYS A 92 7.741 7.007 18.037 1.00 63.32 C ATOM 1527 NZ LYS A 92 7.766 8.387 18.583 1.00 63.31 N ATOM 0 H LYS A 92 3.820 5.337 13.186 1.00 61.41 H new ATOM 0 HA LYS A 92 5.093 7.103 15.116 1.00 12.32 H new ATOM 0 HB2 LYS A 92 4.320 5.159 16.469 1.00 64.11 H new ATOM 0 HB3 LYS A 92 5.233 4.089 15.423 1.00 64.11 H new ATOM 0 HG2 LYS A 92 6.480 4.593 17.483 1.00 24.24 H new ATOM 0 HG3 LYS A 92 7.335 5.182 16.071 1.00 24.24 H new ATOM 0 HD2 LYS A 92 6.344 7.463 16.473 1.00 2.05 H new ATOM 0 HD3 LYS A 92 5.603 6.851 17.939 1.00 2.05 H new ATOM 0 HE2 LYS A 92 7.841 6.291 18.853 1.00 63.32 H new ATOM 0 HE3 LYS A 92 8.597 6.861 17.378 1.00 63.32 H new ATOM 0 HZ1 LYS A 92 8.656 8.540 19.098 1.00 63.31 H new ATOM 0 HZ2 LYS A 92 7.696 9.071 17.802 1.00 63.31 H new ATOM 0 HZ3 LYS A 92 6.964 8.518 19.231 1.00 63.31 H new ATOM 1541 N GLY A 93 6.373 6.952 12.861 1.00 13.22 N ATOM 1542 CA GLY A 93 7.497 6.977 11.948 1.00 51.34 C ATOM 1543 C GLY A 93 7.926 8.386 11.582 1.00 52.31 C ATOM 1544 O GLY A 93 8.746 8.990 12.270 1.00 64.13 O ATOM 0 H GLY A 93 5.741 7.749 12.786 1.00 13.22 H new ATOM 0 HA2 GLY A 93 8.338 6.452 12.400 1.00 51.34 H new ATOM 0 HA3 GLY A 93 7.234 6.435 11.040 1.00 51.34 H new ATOM 1548 N TYR A 94 7.346 8.914 10.512 1.00 1.32 N ATOM 1549 CA TYR A 94 7.749 10.209 9.974 1.00 72.14 C ATOM 1550 C TYR A 94 6.540 10.975 9.436 1.00 21.02 C ATOM 1551 O TYR A 94 6.485 12.207 9.503 1.00 23.11 O ATOM 1552 CB TYR A 94 8.772 10.003 8.855 1.00 14.23 C ATOM 1553 CG TYR A 94 9.390 11.289 8.352 1.00 21.22 C ATOM 1554 CD1 TYR A 94 10.393 11.929 9.070 1.00 14.13 C ATOM 1555 CD2 TYR A 94 8.966 11.869 7.161 1.00 2.31 C ATOM 1556 CE1 TYR A 94 10.952 13.109 8.619 1.00 64.02 C ATOM 1557 CE2 TYR A 94 9.520 13.049 6.706 1.00 45.01 C ATOM 1558 CZ TYR A 94 10.513 13.663 7.437 1.00 13.51 C ATOM 1559 OH TYR A 94 11.064 14.842 6.990 1.00 73.25 O ATOM 0 H TYR A 94 6.590 8.463 9.996 1.00 1.32 H new ATOM 0 HA TYR A 94 8.197 10.795 10.777 1.00 72.14 H new ATOM 0 HB2 TYR A 94 9.564 9.346 9.215 1.00 14.23 H new ATOM 0 HB3 TYR A 94 8.288 9.492 8.022 1.00 14.23 H new ATOM 0 HD1 TYR A 94 10.741 11.497 9.996 1.00 14.13 H new ATOM 0 HD2 TYR A 94 8.191 11.388 6.583 1.00 2.31 H new ATOM 0 HE1 TYR A 94 11.729 13.595 9.190 1.00 64.02 H new ATOM 0 HE2 TYR A 94 9.176 13.489 5.781 1.00 45.01 H new ATOM 0 HH TYR A 94 10.645 15.098 6.142 1.00 73.25 H new ATOM 1569 N MET A 95 5.583 10.238 8.891 1.00 13.30 N ATOM 1570 CA MET A 95 4.380 10.829 8.326 1.00 0.20 C ATOM 1571 C MET A 95 3.514 11.432 9.426 1.00 43.41 C ATOM 1572 O MET A 95 3.206 10.771 10.417 1.00 51.21 O ATOM 1573 CB MET A 95 3.599 9.770 7.550 1.00 75.30 C ATOM 1574 CG MET A 95 4.371 9.160 6.388 1.00 44.42 C ATOM 1575 SD MET A 95 4.711 10.343 5.072 1.00 54.12 S ATOM 1576 CE MET A 95 3.063 10.602 4.416 1.00 41.22 C ATOM 0 H MET A 95 5.618 9.221 8.828 1.00 13.30 H new ATOM 0 HA MET A 95 4.666 11.628 7.642 1.00 0.20 H new ATOM 0 HB2 MET A 95 3.305 8.975 8.235 1.00 75.30 H new ATOM 0 HB3 MET A 95 2.681 10.217 7.168 1.00 75.30 H new ATOM 0 HG2 MET A 95 5.313 8.755 6.757 1.00 44.42 H new ATOM 0 HG3 MET A 95 3.803 8.324 5.980 1.00 44.42 H new ATOM 0 HE1 MET A 95 3.132 11.058 3.428 1.00 41.22 H new ATOM 0 HE2 MET A 95 2.547 9.645 4.339 1.00 41.22 H new ATOM 0 HE3 MET A 95 2.506 11.261 5.082 1.00 41.22 H new ATOM 1586 N GLU A 96 3.140 12.692 9.249 1.00 12.30 N ATOM 1587 CA GLU A 96 2.386 13.420 10.262 1.00 10.32 C ATOM 1588 C GLU A 96 0.947 12.926 10.345 1.00 2.30 C ATOM 1589 O GLU A 96 0.434 12.656 11.431 1.00 63.32 O ATOM 1590 CB GLU A 96 2.389 14.916 9.953 1.00 54.41 C ATOM 1591 CG GLU A 96 3.775 15.512 9.791 1.00 64.51 C ATOM 1592 CD GLU A 96 3.719 16.992 9.489 1.00 52.50 C ATOM 1593 OE1 GLU A 96 3.354 17.356 8.351 1.00 51.14 O ATOM 1594 OE2 GLU A 96 4.026 17.802 10.391 1.00 52.21 O ATOM 0 H GLU A 96 3.347 13.234 8.410 1.00 12.30 H new ATOM 0 HA GLU A 96 2.870 13.243 11.222 1.00 10.32 H new ATOM 0 HB2 GLU A 96 1.822 15.088 9.038 1.00 54.41 H new ATOM 0 HB3 GLU A 96 1.870 15.443 10.754 1.00 54.41 H new ATOM 0 HG2 GLU A 96 4.349 15.349 10.703 1.00 64.51 H new ATOM 0 HG3 GLU A 96 4.300 14.997 8.987 1.00 64.51 H new ATOM 1601 N ASN A 97 0.303 12.805 9.196 1.00 2.32 N ATOM 1602 CA ASN A 97 -1.105 12.438 9.142 1.00 20.31 C ATOM 1603 C ASN A 97 -1.326 11.425 8.035 1.00 25.13 C ATOM 1604 O ASN A 97 -0.486 11.285 7.141 1.00 74.42 O ATOM 1605 CB ASN A 97 -1.989 13.673 8.895 1.00 73.51 C ATOM 1606 CG ASN A 97 -1.918 14.694 10.017 1.00 63.00 C ATOM 1607 OD1 ASN A 97 -2.669 14.622 10.993 1.00 42.20 O ATOM 1608 ND2 ASN A 97 -1.030 15.671 9.876 1.00 62.02 N ATOM 0 H ASN A 97 0.734 12.956 8.284 1.00 2.32 H new ATOM 0 HA ASN A 97 -1.383 12.003 10.102 1.00 20.31 H new ATOM 0 HB2 ASN A 97 -1.687 14.147 7.961 1.00 73.51 H new ATOM 0 HB3 ASN A 97 -3.023 13.352 8.769 1.00 73.51 H new ATOM 0 HD21 ASN A 97 -0.952 16.396 10.589 1.00 62.02 H new ATOM 0 HD22 ASN A 97 -0.426 15.697 9.054 1.00 62.02 H new ATOM 1615 N ASP A 98 -2.443 10.721 8.103 1.00 60.40 N ATOM 1616 CA ASP A 98 -2.791 9.747 7.087 1.00 12.22 C ATOM 1617 C ASP A 98 -3.242 10.462 5.812 1.00 1.34 C ATOM 1618 O ASP A 98 -3.949 11.466 5.875 1.00 4.02 O ATOM 1619 CB ASP A 98 -3.909 8.836 7.608 1.00 24.23 C ATOM 1620 CG ASP A 98 -3.435 7.821 8.637 1.00 33.24 C ATOM 1621 OD1 ASP A 98 -3.353 8.169 9.836 1.00 51.14 O ATOM 1622 OD2 ASP A 98 -3.157 6.666 8.254 1.00 12.42 O ATOM 0 H ASP A 98 -3.126 10.808 8.855 1.00 60.40 H new ATOM 0 HA ASP A 98 -1.916 9.139 6.856 1.00 12.22 H new ATOM 0 HB2 ASP A 98 -4.692 9.452 8.051 1.00 24.23 H new ATOM 0 HB3 ASP A 98 -4.357 8.307 6.767 1.00 24.23 H new ATOM 1627 N PRO A 99 -2.857 9.943 4.635 1.00 74.02 N ATOM 1628 CA PRO A 99 -3.166 10.573 3.347 1.00 13.13 C ATOM 1629 C PRO A 99 -4.597 10.322 2.872 1.00 61.32 C ATOM 1630 O PRO A 99 -5.141 11.090 2.079 1.00 11.52 O ATOM 1631 CB PRO A 99 -2.166 9.921 2.374 1.00 11.22 C ATOM 1632 CG PRO A 99 -1.277 9.049 3.206 1.00 11.33 C ATOM 1633 CD PRO A 99 -2.042 8.739 4.459 1.00 60.32 C ATOM 0 HA PRO A 99 -3.085 11.658 3.416 1.00 13.13 H new ATOM 0 HB2 PRO A 99 -2.686 9.335 1.616 1.00 11.22 H new ATOM 0 HB3 PRO A 99 -1.585 10.679 1.848 1.00 11.22 H new ATOM 0 HG2 PRO A 99 -1.019 8.135 2.672 1.00 11.33 H new ATOM 0 HG3 PRO A 99 -0.341 9.557 3.438 1.00 11.33 H new ATOM 0 HD2 PRO A 99 -2.656 7.845 4.350 1.00 60.32 H new ATOM 0 HD3 PRO A 99 -1.380 8.569 5.308 1.00 60.32 H new ATOM 1641 N PHE A 100 -5.214 9.257 3.367 1.00 2.00 N ATOM 1642 CA PHE A 100 -6.544 8.868 2.901 1.00 4.34 C ATOM 1643 C PHE A 100 -7.621 9.728 3.542 1.00 1.44 C ATOM 1644 O PHE A 100 -8.791 9.660 3.173 1.00 31.33 O ATOM 1645 CB PHE A 100 -6.820 7.400 3.216 1.00 11.34 C ATOM 1646 CG PHE A 100 -7.227 7.130 4.640 1.00 23.20 C ATOM 1647 CD1 PHE A 100 -6.320 7.250 5.678 1.00 41.22 C ATOM 1648 CD2 PHE A 100 -8.531 6.756 4.936 1.00 23.54 C ATOM 1649 CE1 PHE A 100 -6.703 7.005 6.983 1.00 63.34 C ATOM 1650 CE2 PHE A 100 -8.920 6.509 6.238 1.00 44.44 C ATOM 1651 CZ PHE A 100 -8.004 6.634 7.263 1.00 12.33 C ATOM 0 H PHE A 100 -4.821 8.649 4.086 1.00 2.00 H new ATOM 0 HA PHE A 100 -6.567 9.016 1.821 1.00 4.34 H new ATOM 0 HB2 PHE A 100 -7.607 7.042 2.553 1.00 11.34 H new ATOM 0 HB3 PHE A 100 -5.925 6.819 2.991 1.00 11.34 H new ATOM 0 HD1 PHE A 100 -5.301 7.538 5.466 1.00 41.22 H new ATOM 0 HD2 PHE A 100 -9.251 6.657 4.137 1.00 23.54 H new ATOM 0 HE1 PHE A 100 -5.985 7.104 7.784 1.00 63.34 H new ATOM 0 HE2 PHE A 100 -9.938 6.219 6.453 1.00 44.44 H new ATOM 0 HZ PHE A 100 -8.304 6.442 8.283 1.00 12.33 H new ATOM 1661 N LYS A 101 -7.201 10.515 4.515 1.00 14.03 N ATOM 1662 CA LYS A 101 -8.082 11.375 5.283 1.00 21.31 C ATOM 1663 C LYS A 101 -8.972 12.237 4.388 1.00 55.21 C ATOM 1664 O LYS A 101 -10.157 12.414 4.671 1.00 25.00 O ATOM 1665 CB LYS A 101 -7.237 12.256 6.194 1.00 43.12 C ATOM 1666 CG LYS A 101 -7.540 12.076 7.671 1.00 43.34 C ATOM 1667 CD LYS A 101 -8.965 12.483 8.002 1.00 64.10 C ATOM 1668 CE LYS A 101 -9.239 13.916 7.582 1.00 75.43 C ATOM 1669 NZ LYS A 101 -10.558 14.397 8.067 1.00 15.32 N ATOM 0 H LYS A 101 -6.223 10.576 4.798 1.00 14.03 H new ATOM 0 HA LYS A 101 -8.746 10.745 5.875 1.00 21.31 H new ATOM 0 HB2 LYS A 101 -6.183 12.039 6.019 1.00 43.12 H new ATOM 0 HB3 LYS A 101 -7.396 13.300 5.924 1.00 43.12 H new ATOM 0 HG2 LYS A 101 -7.384 11.034 7.951 1.00 43.34 H new ATOM 0 HG3 LYS A 101 -6.844 12.672 8.261 1.00 43.34 H new ATOM 0 HD2 LYS A 101 -9.663 11.814 7.499 1.00 64.10 H new ATOM 0 HD3 LYS A 101 -9.137 12.376 9.073 1.00 64.10 H new ATOM 0 HE2 LYS A 101 -8.452 14.564 7.969 1.00 75.43 H new ATOM 0 HE3 LYS A 101 -9.205 13.988 6.495 1.00 75.43 H new ATOM 0 HZ1 LYS A 101 -10.704 15.379 7.758 1.00 15.32 H new ATOM 0 HZ2 LYS A 101 -11.312 13.795 7.677 1.00 15.32 H new ATOM 0 HZ3 LYS A 101 -10.583 14.354 9.106 1.00 15.32 H new ATOM 1683 N ASP A 102 -8.407 12.766 3.314 1.00 1.35 N ATOM 1684 CA ASP A 102 -9.180 13.602 2.399 1.00 12.23 C ATOM 1685 C ASP A 102 -9.468 12.853 1.105 1.00 50.33 C ATOM 1686 O ASP A 102 -10.572 12.928 0.566 1.00 33.44 O ATOM 1687 CB ASP A 102 -8.431 14.906 2.111 1.00 45.25 C ATOM 1688 CG ASP A 102 -9.171 15.811 1.146 1.00 51.41 C ATOM 1689 OD1 ASP A 102 -10.119 16.510 1.577 1.00 11.22 O ATOM 1690 OD2 ASP A 102 -8.801 15.840 -0.045 1.00 12.41 O ATOM 0 H ASP A 102 -7.429 12.636 3.054 1.00 1.35 H new ATOM 0 HA ASP A 102 -10.132 13.846 2.871 1.00 12.23 H new ATOM 0 HB2 ASP A 102 -8.267 15.439 3.047 1.00 45.25 H new ATOM 0 HB3 ASP A 102 -7.449 14.672 1.701 1.00 45.25 H new ATOM 1695 N PHE A 103 -8.469 12.100 0.659 1.00 53.11 N ATOM 1696 CA PHE A 103 -8.573 11.206 -0.504 1.00 11.52 C ATOM 1697 C PHE A 103 -9.235 11.890 -1.712 1.00 54.00 C ATOM 1698 O PHE A 103 -9.919 11.247 -2.512 1.00 71.45 O ATOM 1699 CB PHE A 103 -9.349 9.943 -0.104 1.00 0.22 C ATOM 1700 CG PHE A 103 -9.067 8.751 -0.974 1.00 63.20 C ATOM 1701 CD1 PHE A 103 -7.806 8.178 -0.993 1.00 12.04 C ATOM 1702 CD2 PHE A 103 -10.062 8.200 -1.765 1.00 53.04 C ATOM 1703 CE1 PHE A 103 -7.542 7.078 -1.785 1.00 31.40 C ATOM 1704 CE2 PHE A 103 -9.804 7.101 -2.560 1.00 0.42 C ATOM 1705 CZ PHE A 103 -8.542 6.540 -2.571 1.00 31.12 C ATOM 0 H PHE A 103 -7.548 12.088 1.097 1.00 53.11 H new ATOM 0 HA PHE A 103 -7.563 10.937 -0.814 1.00 11.52 H new ATOM 0 HB2 PHE A 103 -9.106 9.692 0.929 1.00 0.22 H new ATOM 0 HB3 PHE A 103 -10.417 10.159 -0.137 1.00 0.22 H new ATOM 0 HD1 PHE A 103 -7.020 8.596 -0.381 1.00 12.04 H new ATOM 0 HD2 PHE A 103 -11.051 8.635 -1.760 1.00 53.04 H new ATOM 0 HE1 PHE A 103 -6.555 6.639 -1.790 1.00 31.40 H new ATOM 0 HE2 PHE A 103 -10.588 6.681 -3.172 1.00 0.42 H new ATOM 0 HZ PHE A 103 -8.337 5.682 -3.194 1.00 31.12 H new