USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 628 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 51 HIS : no HD1:sc= 1.29 K(o=1.4,f=-6.6!) USER MOD Set 1.2: A 80 THR OG1 : rot -165:sc= 0.0586 USER MOD Set 2.1: A 45 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 58 THR OG1 : rot 107:sc= 1.17 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.765 USER MOD Single : A 38 GLN : amide:sc= -5.04! K(o=-5!,f=-0.85) USER MOD Single : A 39 LYS NZ :NH3+ 165:sc= -0.852! (180deg=-1.23!) USER MOD Single : A 40 HIS : no HE2:sc= -0.434 K(o=-0.43,f=-2.4) USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 42 HIS : no HD1:sc= -0.643 K(o=-0.64,f=-2.5!) USER MOD Single : A 43 SER OG : rot 180:sc= 0.0167 USER MOD Single : A 44 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0892) USER MOD Single : A 46 THR OG1 : rot -22:sc= 0.00268 USER MOD Single : A 52 HIS : no HE2:sc= -1.49 K(o=-1.5,f=-4.3!) USER MOD Single : A 53 LYS NZ :NH3+ 147:sc= 1.2 (180deg=0.99) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ -164:sc= 1.21 (180deg=0.849) USER MOD Single : A 64 HIS : no HD1:sc= 0 X(o=0,f=-0.08) USER MOD Single : A 74 GLN : amide:sc= -0.319 K(o=-0.32,f=-4.2!) USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 HIS : no HE2:sc= 0.194 K(o=0.19,f=-1.5) USER MOD Single : A 89 SER OG : rot 86:sc= 1.27 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 MET CE :methyl -158:sc= -0.234 (180deg=-0.946) USER MOD Single : A 96 SER OG : rot -113:sc= 1.23 USER MOD Single : A 97 LYS NZ :NH3+ 178:sc= 1.18 (180deg=1.13) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0.0713 USER MOD Single : A 105 HIS : no HE2:sc= -3.1! C(o=-3.1!,f=-9.1!) USER MOD ----------------------------------------------------------------- ATOM 108 N VAL A 29 5.050 -9.554 -2.561 1.00 1.65 N ATOM 109 CA VAL A 29 4.348 -8.398 -2.014 1.00 1.29 C ATOM 110 C VAL A 29 4.617 -8.225 -0.516 1.00 1.04 C ATOM 111 O VAL A 29 4.600 -9.189 0.252 1.00 1.10 O ATOM 112 CB VAL A 29 2.821 -8.523 -2.244 1.00 1.34 C ATOM 113 CG1 VAL A 29 2.298 -9.815 -1.647 1.00 1.70 C ATOM 114 CG2 VAL A 29 2.082 -7.321 -1.674 1.00 1.82 C ATOM 0 HA VAL A 29 4.727 -7.521 -2.538 1.00 1.29 H new ATOM 0 HB VAL A 29 2.639 -8.545 -3.319 1.00 1.34 H new ATOM 0 HG11 VAL A 29 1.224 -9.886 -1.818 1.00 1.70 H new ATOM 0 HG12 VAL A 29 2.797 -10.662 -2.118 1.00 1.70 H new ATOM 0 HG13 VAL A 29 2.496 -9.827 -0.575 1.00 1.70 H new ATOM 0 HG21 VAL A 29 1.012 -7.435 -1.849 1.00 1.82 H new ATOM 0 HG22 VAL A 29 2.269 -7.254 -0.602 1.00 1.82 H new ATOM 0 HG23 VAL A 29 2.435 -6.412 -2.162 1.00 1.82 H new ATOM 124 N LYS A 30 4.910 -6.997 -0.113 1.00 0.90 N ATOM 125 CA LYS A 30 4.952 -6.668 1.296 1.00 0.79 C ATOM 126 C LYS A 30 3.561 -6.270 1.756 1.00 0.63 C ATOM 127 O LYS A 30 2.923 -5.412 1.144 1.00 0.66 O ATOM 128 CB LYS A 30 5.934 -5.531 1.599 1.00 0.87 C ATOM 129 CG LYS A 30 7.360 -5.789 1.141 1.00 1.26 C ATOM 130 CD LYS A 30 7.956 -7.026 1.793 1.00 2.11 C ATOM 131 CE LYS A 30 9.432 -7.159 1.452 1.00 2.93 C ATOM 132 NZ LYS A 30 10.012 -8.438 1.946 1.00 3.71 N ATOM 0 H LYS A 30 5.120 -6.220 -0.740 1.00 0.90 H new ATOM 0 HA LYS A 30 5.298 -7.551 1.833 1.00 0.79 H new ATOM 0 HB2 LYS A 30 5.573 -4.620 1.123 1.00 0.87 H new ATOM 0 HB3 LYS A 30 5.939 -5.349 2.674 1.00 0.87 H new ATOM 0 HG2 LYS A 30 7.376 -5.908 0.058 1.00 1.26 H new ATOM 0 HG3 LYS A 30 7.978 -4.923 1.376 1.00 1.26 H new ATOM 0 HD2 LYS A 30 7.832 -6.968 2.874 1.00 2.11 H new ATOM 0 HD3 LYS A 30 7.419 -7.914 1.458 1.00 2.11 H new ATOM 0 HE2 LYS A 30 9.560 -7.098 0.371 1.00 2.93 H new ATOM 0 HE3 LYS A 30 9.980 -6.322 1.886 1.00 2.93 H new ATOM 0 HZ1 LYS A 30 11.019 -8.484 1.690 1.00 3.71 H new ATOM 0 HZ2 LYS A 30 9.915 -8.487 2.980 1.00 3.71 H new ATOM 0 HZ3 LYS A 30 9.508 -9.238 1.513 1.00 3.71 H new ATOM 146 N TYR A 31 3.077 -6.898 2.804 1.00 0.56 N ATOM 147 CA TYR A 31 1.812 -6.501 3.384 1.00 0.49 C ATOM 148 C TYR A 31 2.060 -5.572 4.562 1.00 0.50 C ATOM 149 O TYR A 31 3.191 -5.440 5.037 1.00 0.64 O ATOM 150 CB TYR A 31 1.006 -7.705 3.872 1.00 0.56 C ATOM 151 CG TYR A 31 0.748 -8.784 2.841 1.00 0.63 C ATOM 152 CD1 TYR A 31 -0.177 -8.601 1.822 1.00 0.61 C ATOM 153 CD2 TYR A 31 1.409 -10.003 2.913 1.00 0.81 C ATOM 154 CE1 TYR A 31 -0.433 -9.599 0.904 1.00 0.75 C ATOM 155 CE2 TYR A 31 1.155 -11.009 2.001 1.00 0.94 C ATOM 156 CZ TYR A 31 0.233 -10.800 0.998 1.00 0.89 C ATOM 157 OH TYR A 31 -0.028 -11.802 0.094 1.00 1.06 O ATOM 0 H TYR A 31 3.536 -7.681 3.270 1.00 0.56 H new ATOM 0 HA TYR A 31 1.240 -5.995 2.606 1.00 0.49 H new ATOM 0 HB2 TYR A 31 1.531 -8.153 4.716 1.00 0.56 H new ATOM 0 HB3 TYR A 31 0.046 -7.349 4.246 1.00 0.56 H new ATOM 0 HD1 TYR A 31 -0.705 -7.662 1.747 1.00 0.61 H new ATOM 0 HD2 TYR A 31 2.135 -10.168 3.696 1.00 0.81 H new ATOM 0 HE1 TYR A 31 -1.153 -9.438 0.115 1.00 0.75 H new ATOM 0 HE2 TYR A 31 1.675 -11.953 2.073 1.00 0.94 H new ATOM 0 HH TYR A 31 0.528 -12.582 0.301 1.00 1.06 H new ATOM 167 N TYR A 32 1.011 -4.932 5.027 1.00 0.43 N ATOM 168 CA TYR A 32 1.042 -4.250 6.304 1.00 0.46 C ATOM 169 C TYR A 32 -0.208 -4.614 7.083 1.00 0.53 C ATOM 170 O TYR A 32 -1.293 -4.678 6.514 1.00 0.89 O ATOM 171 CB TYR A 32 1.182 -2.733 6.131 1.00 0.46 C ATOM 172 CG TYR A 32 2.574 -2.307 5.722 1.00 0.52 C ATOM 173 CD1 TYR A 32 3.581 -2.168 6.669 1.00 1.09 C ATOM 174 CD2 TYR A 32 2.884 -2.058 4.393 1.00 0.98 C ATOM 175 CE1 TYR A 32 4.858 -1.792 6.301 1.00 1.20 C ATOM 176 CE2 TYR A 32 4.158 -1.678 4.016 1.00 1.03 C ATOM 177 CZ TYR A 32 5.142 -1.548 4.974 1.00 0.81 C ATOM 178 OH TYR A 32 6.415 -1.178 4.609 1.00 0.96 O ATOM 0 H TYR A 32 0.119 -4.869 4.537 1.00 0.43 H new ATOM 0 HA TYR A 32 1.919 -4.574 6.864 1.00 0.46 H new ATOM 0 HB2 TYR A 32 0.469 -2.392 5.380 1.00 0.46 H new ATOM 0 HB3 TYR A 32 0.919 -2.241 7.067 1.00 0.46 H new ATOM 0 HD1 TYR A 32 3.362 -2.357 7.709 1.00 1.09 H new ATOM 0 HD2 TYR A 32 2.117 -2.163 3.640 1.00 0.98 H new ATOM 0 HE1 TYR A 32 5.630 -1.690 7.049 1.00 1.20 H new ATOM 0 HE2 TYR A 32 4.382 -1.484 2.977 1.00 1.03 H new ATOM 0 HH TYR A 32 6.451 -1.044 3.639 1.00 0.96 H new ATOM 188 N THR A 33 -0.058 -4.905 8.361 1.00 0.48 N ATOM 189 CA THR A 33 -1.185 -5.327 9.177 1.00 0.57 C ATOM 190 C THR A 33 -2.234 -4.225 9.312 1.00 0.56 C ATOM 191 O THR A 33 -1.908 -3.040 9.432 1.00 0.60 O ATOM 192 CB THR A 33 -0.710 -5.777 10.561 1.00 0.72 C ATOM 193 OG1 THR A 33 0.510 -5.109 10.896 1.00 0.77 O ATOM 194 CG2 THR A 33 -0.496 -7.280 10.605 1.00 0.82 C ATOM 0 H THR A 33 0.831 -4.858 8.858 1.00 0.48 H new ATOM 0 HA THR A 33 -1.654 -6.171 8.670 1.00 0.57 H new ATOM 0 HB THR A 33 -1.482 -5.518 11.285 1.00 0.72 H new ATOM 0 HG1 THR A 33 0.809 -5.399 11.783 1.00 0.77 H new ATOM 0 HG21 THR A 33 -0.159 -7.571 11.600 1.00 0.82 H new ATOM 0 HG22 THR A 33 -1.433 -7.788 10.377 1.00 0.82 H new ATOM 0 HG23 THR A 33 0.258 -7.562 9.870 1.00 0.82 H new ATOM 202 N LEU A 34 -3.505 -4.630 9.282 1.00 0.60 N ATOM 203 CA LEU A 34 -4.624 -3.700 9.413 1.00 0.64 C ATOM 204 C LEU A 34 -4.545 -2.987 10.756 1.00 0.58 C ATOM 205 O LEU A 34 -4.913 -1.827 10.895 1.00 0.59 O ATOM 206 CB LEU A 34 -5.955 -4.457 9.299 1.00 0.86 C ATOM 207 CG LEU A 34 -7.213 -3.583 9.396 1.00 1.02 C ATOM 208 CD1 LEU A 34 -7.262 -2.567 8.262 1.00 1.23 C ATOM 209 CD2 LEU A 34 -8.462 -4.451 9.384 1.00 1.46 C ATOM 0 H LEU A 34 -3.785 -5.604 9.167 1.00 0.60 H new ATOM 0 HA LEU A 34 -4.569 -2.963 8.612 1.00 0.64 H new ATOM 0 HB2 LEU A 34 -5.973 -4.987 8.347 1.00 0.86 H new ATOM 0 HB3 LEU A 34 -5.994 -5.211 10.085 1.00 0.86 H new ATOM 0 HG LEU A 34 -7.174 -3.036 10.338 1.00 1.02 H new ATOM 0 HD11 LEU A 34 -8.163 -1.961 8.355 1.00 1.23 H new ATOM 0 HD12 LEU A 34 -6.385 -1.922 8.313 1.00 1.23 H new ATOM 0 HD13 LEU A 34 -7.273 -3.090 7.306 1.00 1.23 H new ATOM 0 HD21 LEU A 34 -9.346 -3.817 9.453 1.00 1.46 H new ATOM 0 HD22 LEU A 34 -8.498 -5.024 8.457 1.00 1.46 H new ATOM 0 HD23 LEU A 34 -8.438 -5.135 10.233 1.00 1.46 H new ATOM 221 N GLU A 35 -4.013 -3.718 11.730 1.00 0.65 N ATOM 222 CA GLU A 35 -3.939 -3.288 13.115 1.00 0.77 C ATOM 223 C GLU A 35 -2.847 -2.232 13.260 1.00 0.73 C ATOM 224 O GLU A 35 -2.770 -1.498 14.244 1.00 0.88 O ATOM 225 CB GLU A 35 -3.656 -4.536 13.974 1.00 0.94 C ATOM 226 CG GLU A 35 -3.338 -4.258 15.435 1.00 1.41 C ATOM 227 CD GLU A 35 -1.864 -3.980 15.672 1.00 1.91 C ATOM 228 OE1 GLU A 35 -1.049 -4.246 14.764 1.00 2.56 O ATOM 229 OE2 GLU A 35 -1.515 -3.475 16.758 1.00 2.34 O ATOM 0 H GLU A 35 -3.614 -4.643 11.572 1.00 0.65 H new ATOM 0 HA GLU A 35 -4.872 -2.833 13.447 1.00 0.77 H new ATOM 0 HB2 GLU A 35 -4.523 -5.194 13.926 1.00 0.94 H new ATOM 0 HB3 GLU A 35 -2.819 -5.079 13.534 1.00 0.94 H new ATOM 0 HG2 GLU A 35 -3.924 -3.403 15.774 1.00 1.41 H new ATOM 0 HG3 GLU A 35 -3.644 -5.113 16.038 1.00 1.41 H new ATOM 236 N GLU A 36 -2.019 -2.179 12.231 1.00 0.63 N ATOM 237 CA GLU A 36 -0.805 -1.390 12.214 1.00 0.74 C ATOM 238 C GLU A 36 -1.015 -0.074 11.475 1.00 0.67 C ATOM 239 O GLU A 36 -0.669 0.992 11.968 1.00 0.82 O ATOM 240 CB GLU A 36 0.279 -2.245 11.556 1.00 0.85 C ATOM 241 CG GLU A 36 1.335 -1.472 10.800 1.00 0.95 C ATOM 242 CD GLU A 36 2.273 -0.707 11.708 1.00 1.24 C ATOM 243 OE1 GLU A 36 3.172 -1.336 12.305 1.00 1.67 O ATOM 244 OE2 GLU A 36 2.119 0.518 11.822 1.00 1.76 O ATOM 0 H GLU A 36 -2.178 -2.696 11.366 1.00 0.63 H new ATOM 0 HA GLU A 36 -0.505 -1.121 13.227 1.00 0.74 H new ATOM 0 HB2 GLU A 36 0.769 -2.840 12.327 1.00 0.85 H new ATOM 0 HB3 GLU A 36 -0.198 -2.944 10.869 1.00 0.85 H new ATOM 0 HG2 GLU A 36 1.914 -2.163 10.188 1.00 0.95 H new ATOM 0 HG3 GLU A 36 0.848 -0.774 10.119 1.00 0.95 H new ATOM 251 N ILE A 37 -1.592 -0.175 10.278 1.00 0.52 N ATOM 252 CA ILE A 37 -1.870 0.993 9.452 1.00 0.50 C ATOM 253 C ILE A 37 -2.841 1.929 10.166 1.00 0.53 C ATOM 254 O ILE A 37 -2.836 3.136 9.940 1.00 0.72 O ATOM 255 CB ILE A 37 -2.449 0.581 8.082 1.00 0.49 C ATOM 256 CG1 ILE A 37 -1.547 -0.465 7.426 1.00 0.51 C ATOM 257 CG2 ILE A 37 -2.593 1.796 7.175 1.00 0.54 C ATOM 258 CD1 ILE A 37 -2.102 -1.020 6.134 1.00 0.72 C ATOM 0 H ILE A 37 -1.876 -1.061 9.859 1.00 0.52 H new ATOM 0 HA ILE A 37 -0.928 1.515 9.283 1.00 0.50 H new ATOM 0 HB ILE A 37 -3.438 0.149 8.237 1.00 0.49 H new ATOM 0 HG12 ILE A 37 -0.571 -0.020 7.231 1.00 0.51 H new ATOM 0 HG13 ILE A 37 -1.389 -1.286 8.126 1.00 0.51 H new ATOM 0 HG21 ILE A 37 -3.003 1.486 6.214 1.00 0.54 H new ATOM 0 HG22 ILE A 37 -3.264 2.519 7.639 1.00 0.54 H new ATOM 0 HG23 ILE A 37 -1.616 2.254 7.022 1.00 0.54 H new ATOM 0 HD11 ILE A 37 -1.409 -1.756 5.726 1.00 0.72 H new ATOM 0 HD12 ILE A 37 -3.064 -1.495 6.326 1.00 0.72 H new ATOM 0 HD13 ILE A 37 -2.234 -0.210 5.417 1.00 0.72 H new ATOM 270 N GLN A 38 -3.656 1.354 11.048 1.00 0.48 N ATOM 271 CA GLN A 38 -4.551 2.125 11.907 1.00 0.52 C ATOM 272 C GLN A 38 -3.760 3.089 12.790 1.00 0.54 C ATOM 273 O GLN A 38 -4.222 4.175 13.112 1.00 0.64 O ATOM 274 CB GLN A 38 -5.371 1.184 12.792 1.00 0.56 C ATOM 275 CG GLN A 38 -6.471 0.424 12.058 1.00 0.78 C ATOM 276 CD GLN A 38 -7.681 1.270 11.679 1.00 0.72 C ATOM 277 OE1 GLN A 38 -8.806 0.766 11.655 1.00 1.11 O ATOM 278 NE2 GLN A 38 -7.474 2.542 11.355 1.00 0.74 N ATOM 0 H GLN A 38 -3.714 0.345 11.187 1.00 0.48 H new ATOM 0 HA GLN A 38 -5.220 2.701 11.268 1.00 0.52 H new ATOM 0 HB2 GLN A 38 -4.697 0.464 13.257 1.00 0.56 H new ATOM 0 HB3 GLN A 38 -5.822 1.764 13.597 1.00 0.56 H new ATOM 0 HG2 GLN A 38 -6.051 -0.012 11.152 1.00 0.78 H new ATOM 0 HG3 GLN A 38 -6.804 -0.403 12.685 1.00 0.78 H new ATOM 0 HE21 GLN A 38 -6.531 2.929 11.385 1.00 0.74 H new ATOM 0 HE22 GLN A 38 -8.258 3.131 11.076 1.00 0.74 H new ATOM 287 N LYS A 39 -2.554 2.668 13.167 1.00 0.54 N ATOM 288 CA LYS A 39 -1.736 3.402 14.124 1.00 0.62 C ATOM 289 C LYS A 39 -0.922 4.482 13.422 1.00 0.58 C ATOM 290 O LYS A 39 -0.139 5.199 14.048 1.00 0.66 O ATOM 291 CB LYS A 39 -0.802 2.431 14.852 1.00 0.77 C ATOM 292 CG LYS A 39 -1.532 1.354 15.643 1.00 1.28 C ATOM 293 CD LYS A 39 -0.594 0.630 16.595 1.00 1.57 C ATOM 294 CE LYS A 39 0.418 -0.217 15.844 1.00 2.08 C ATOM 295 NZ LYS A 39 -0.141 -1.532 15.436 1.00 2.52 N ATOM 0 H LYS A 39 -2.120 1.813 12.819 1.00 0.54 H new ATOM 0 HA LYS A 39 -2.393 3.885 14.847 1.00 0.62 H new ATOM 0 HB2 LYS A 39 -0.149 1.953 14.122 1.00 0.77 H new ATOM 0 HB3 LYS A 39 -0.162 2.996 15.530 1.00 0.77 H new ATOM 0 HG2 LYS A 39 -2.348 1.806 16.208 1.00 1.28 H new ATOM 0 HG3 LYS A 39 -1.979 0.636 14.955 1.00 1.28 H new ATOM 0 HD2 LYS A 39 -0.071 1.358 17.216 1.00 1.57 H new ATOM 0 HD3 LYS A 39 -1.174 -0.004 17.266 1.00 1.57 H new ATOM 0 HE2 LYS A 39 0.755 0.323 14.959 1.00 2.08 H new ATOM 0 HE3 LYS A 39 1.294 -0.376 16.473 1.00 2.08 H new ATOM 0 HZ1 LYS A 39 0.478 -1.966 14.722 1.00 2.52 H new ATOM 0 HZ2 LYS A 39 -0.202 -2.156 16.266 1.00 2.52 H new ATOM 0 HZ3 LYS A 39 -1.091 -1.396 15.034 1.00 2.52 H new ATOM 309 N HIS A 40 -1.108 4.576 12.116 1.00 0.53 N ATOM 310 CA HIS A 40 -0.355 5.500 11.281 1.00 0.56 C ATOM 311 C HIS A 40 -1.288 6.460 10.563 1.00 0.65 C ATOM 312 O HIS A 40 -1.096 6.792 9.398 1.00 0.93 O ATOM 313 CB HIS A 40 0.485 4.713 10.278 1.00 0.56 C ATOM 314 CG HIS A 40 1.784 4.239 10.846 1.00 0.93 C ATOM 315 ND1 HIS A 40 2.390 3.067 10.469 1.00 1.08 N ATOM 316 CD2 HIS A 40 2.605 4.805 11.760 1.00 1.39 C ATOM 317 CE1 HIS A 40 3.528 2.931 11.124 1.00 1.59 C ATOM 318 NE2 HIS A 40 3.685 3.974 11.913 1.00 1.80 N ATOM 0 H HIS A 40 -1.786 4.013 11.603 1.00 0.53 H new ATOM 0 HA HIS A 40 0.307 6.090 11.914 1.00 0.56 H new ATOM 0 HB2 HIS A 40 -0.087 3.854 9.929 1.00 0.56 H new ATOM 0 HB3 HIS A 40 0.683 5.339 9.408 1.00 0.56 H new ATOM 0 HD1 HIS A 40 2.019 2.404 9.788 1.00 1.08 H new ATOM 0 HD2 HIS A 40 2.440 5.740 12.275 1.00 1.39 H new ATOM 0 HE1 HIS A 40 4.215 2.103 11.029 1.00 1.59 H new ATOM 327 N ASN A 41 -2.318 6.879 11.280 1.00 0.56 N ATOM 328 CA ASN A 41 -3.357 7.744 10.729 1.00 0.64 C ATOM 329 C ASN A 41 -3.142 9.190 11.167 1.00 0.82 C ATOM 330 O ASN A 41 -4.043 10.020 11.068 1.00 1.20 O ATOM 331 CB ASN A 41 -4.723 7.254 11.224 1.00 0.69 C ATOM 332 CG ASN A 41 -4.999 7.631 12.671 1.00 1.20 C ATOM 333 OD1 ASN A 41 -4.443 7.042 13.598 1.00 1.76 O ATOM 334 ND2 ASN A 41 -5.879 8.601 12.875 1.00 1.74 N ATOM 0 H ASN A 41 -2.460 6.631 12.259 1.00 0.56 H new ATOM 0 HA ASN A 41 -3.315 7.705 9.641 1.00 0.64 H new ATOM 0 HB2 ASN A 41 -5.505 7.672 10.590 1.00 0.69 H new ATOM 0 HB3 ASN A 41 -4.774 6.170 11.120 1.00 0.69 H new ATOM 0 HD21 ASN A 41 -6.116 8.883 13.826 1.00 1.74 H new ATOM 0 HD22 ASN A 41 -6.319 9.066 12.081 1.00 1.74 H new ATOM 341 N HIS A 42 -1.938 9.489 11.643 1.00 0.73 N ATOM 342 CA HIS A 42 -1.684 10.758 12.320 1.00 0.97 C ATOM 343 C HIS A 42 -0.399 11.427 11.830 1.00 1.06 C ATOM 344 O HIS A 42 0.407 10.791 11.164 1.00 1.54 O ATOM 345 CB HIS A 42 -1.617 10.535 13.839 1.00 1.05 C ATOM 346 CG HIS A 42 -0.607 9.505 14.275 1.00 0.90 C ATOM 347 ND1 HIS A 42 0.660 9.391 13.729 1.00 0.81 N ATOM 348 CD2 HIS A 42 -0.689 8.537 15.218 1.00 1.14 C ATOM 349 CE1 HIS A 42 1.308 8.407 14.324 1.00 0.87 C ATOM 350 NE2 HIS A 42 0.513 7.874 15.229 1.00 1.08 N ATOM 0 H HIS A 42 -1.126 8.875 11.574 1.00 0.73 H new ATOM 0 HA HIS A 42 -2.510 11.429 12.082 1.00 0.97 H new ATOM 0 HB2 HIS A 42 -1.382 11.483 14.323 1.00 1.05 H new ATOM 0 HB3 HIS A 42 -2.602 10.232 14.193 1.00 1.05 H new ATOM 0 HD2 HIS A 42 -1.542 8.326 15.845 1.00 1.14 H new ATOM 0 HE1 HIS A 42 2.318 8.092 14.106 1.00 0.87 H new ATOM 0 HE2 HIS A 42 0.752 7.093 15.840 1.00 1.08 H new ATOM 359 N SER A 43 -0.201 12.680 12.251 1.00 1.01 N ATOM 360 CA SER A 43 0.902 13.549 11.791 1.00 1.12 C ATOM 361 C SER A 43 2.236 12.807 11.614 1.00 0.97 C ATOM 362 O SER A 43 2.793 12.759 10.518 1.00 1.05 O ATOM 363 CB SER A 43 1.076 14.687 12.798 1.00 1.34 C ATOM 364 OG SER A 43 -0.160 15.342 13.042 1.00 2.00 O ATOM 0 H SER A 43 -0.810 13.133 12.933 1.00 1.01 H new ATOM 0 HA SER A 43 0.630 13.926 10.805 1.00 1.12 H new ATOM 0 HB2 SER A 43 1.474 14.293 13.733 1.00 1.34 H new ATOM 0 HB3 SER A 43 1.804 15.405 12.419 1.00 1.34 H new ATOM 0 HG SER A 43 -0.025 16.065 13.690 1.00 2.00 H new ATOM 370 N LYS A 44 2.728 12.241 12.729 1.00 0.89 N ATOM 371 CA LYS A 44 4.086 11.673 12.828 1.00 0.89 C ATOM 372 C LYS A 44 4.383 10.629 11.750 1.00 0.77 C ATOM 373 O LYS A 44 5.545 10.312 11.495 1.00 0.94 O ATOM 374 CB LYS A 44 4.284 11.035 14.205 1.00 1.01 C ATOM 375 CG LYS A 44 5.451 11.609 14.999 1.00 1.53 C ATOM 376 CD LYS A 44 6.762 11.510 14.235 1.00 2.16 C ATOM 377 CE LYS A 44 7.951 11.939 15.085 1.00 2.63 C ATOM 378 NZ LYS A 44 7.822 13.340 15.567 1.00 3.26 N ATOM 0 H LYS A 44 2.192 12.164 13.593 1.00 0.89 H new ATOM 0 HA LYS A 44 4.778 12.502 12.680 1.00 0.89 H new ATOM 0 HB2 LYS A 44 3.369 11.159 14.785 1.00 1.01 H new ATOM 0 HB3 LYS A 44 4.438 9.964 14.077 1.00 1.01 H new ATOM 0 HG2 LYS A 44 5.248 12.653 15.238 1.00 1.53 H new ATOM 0 HG3 LYS A 44 5.542 11.077 15.946 1.00 1.53 H new ATOM 0 HD2 LYS A 44 6.909 10.484 13.898 1.00 2.16 H new ATOM 0 HD3 LYS A 44 6.710 12.134 13.343 1.00 2.16 H new ATOM 0 HE2 LYS A 44 8.044 11.270 15.940 1.00 2.63 H new ATOM 0 HE3 LYS A 44 8.867 11.840 14.502 1.00 2.63 H new ATOM 0 HZ1 LYS A 44 8.697 13.622 16.054 1.00 3.26 H new ATOM 0 HZ2 LYS A 44 7.658 13.972 14.757 1.00 3.26 H new ATOM 0 HZ3 LYS A 44 7.021 13.408 16.227 1.00 3.26 H new ATOM 392 N SER A 45 3.332 10.083 11.162 1.00 0.63 N ATOM 393 CA SER A 45 3.442 9.127 10.073 1.00 0.62 C ATOM 394 C SER A 45 2.059 8.877 9.514 1.00 0.65 C ATOM 395 O SER A 45 1.200 8.332 10.211 1.00 1.05 O ATOM 396 CB SER A 45 4.073 7.808 10.524 1.00 0.65 C ATOM 397 OG SER A 45 4.253 6.923 9.432 1.00 1.31 O ATOM 0 H SER A 45 2.370 10.293 11.429 1.00 0.63 H new ATOM 0 HA SER A 45 4.097 9.546 9.309 1.00 0.62 H new ATOM 0 HB2 SER A 45 5.035 8.006 10.997 1.00 0.65 H new ATOM 0 HB3 SER A 45 3.439 7.337 11.275 1.00 0.65 H new ATOM 0 HG SER A 45 4.659 6.090 9.750 1.00 1.31 H new ATOM 403 N THR A 46 1.836 9.271 8.281 1.00 0.43 N ATOM 404 CA THR A 46 0.515 9.177 7.698 1.00 0.42 C ATOM 405 C THR A 46 0.473 8.124 6.601 1.00 0.39 C ATOM 406 O THR A 46 1.124 8.262 5.563 1.00 0.47 O ATOM 407 CB THR A 46 0.074 10.532 7.119 1.00 0.51 C ATOM 408 OG1 THR A 46 0.250 11.560 8.105 1.00 0.77 O ATOM 409 CG2 THR A 46 -1.381 10.501 6.686 1.00 0.64 C ATOM 0 H THR A 46 2.549 9.659 7.663 1.00 0.43 H new ATOM 0 HA THR A 46 -0.171 8.886 8.494 1.00 0.42 H new ATOM 0 HB THR A 46 0.691 10.740 6.245 1.00 0.51 H new ATOM 0 HG1 THR A 46 0.261 11.158 8.999 1.00 0.77 H new ATOM 0 HG21 THR A 46 -1.661 11.474 6.282 1.00 0.64 H new ATOM 0 HG22 THR A 46 -1.517 9.737 5.921 1.00 0.64 H new ATOM 0 HG23 THR A 46 -2.011 10.270 7.545 1.00 0.64 H new ATOM 417 N TRP A 47 -0.266 7.063 6.849 1.00 0.37 N ATOM 418 CA TRP A 47 -0.539 6.081 5.822 1.00 0.36 C ATOM 419 C TRP A 47 -2.004 6.159 5.449 1.00 0.37 C ATOM 420 O TRP A 47 -2.782 6.783 6.156 1.00 0.50 O ATOM 421 CB TRP A 47 -0.195 4.658 6.276 1.00 0.37 C ATOM 422 CG TRP A 47 1.271 4.409 6.455 1.00 0.36 C ATOM 423 CD1 TRP A 47 2.289 5.266 6.166 1.00 0.38 C ATOM 424 CD2 TRP A 47 1.881 3.214 6.953 1.00 0.37 C ATOM 425 NE1 TRP A 47 3.497 4.687 6.466 1.00 0.40 N ATOM 426 CE2 TRP A 47 3.272 3.425 6.953 1.00 0.40 C ATOM 427 CE3 TRP A 47 1.383 1.990 7.407 1.00 0.40 C ATOM 428 CZ2 TRP A 47 4.172 2.452 7.387 1.00 0.45 C ATOM 429 CZ3 TRP A 47 2.274 1.025 7.835 1.00 0.45 C ATOM 430 CH2 TRP A 47 3.654 1.262 7.826 1.00 0.47 C ATOM 0 H TRP A 47 -0.689 6.859 7.755 1.00 0.37 H new ATOM 0 HA TRP A 47 0.090 6.306 4.961 1.00 0.36 H new ATOM 0 HB2 TRP A 47 -0.704 4.456 7.218 1.00 0.37 H new ATOM 0 HB3 TRP A 47 -0.586 3.951 5.545 1.00 0.37 H new ATOM 0 HD1 TRP A 47 2.164 6.259 5.759 1.00 0.38 H new ATOM 0 HE1 TRP A 47 4.411 5.123 6.346 1.00 0.40 H new ATOM 0 HE3 TRP A 47 0.320 1.802 7.423 1.00 0.40 H new ATOM 0 HZ2 TRP A 47 5.237 2.630 7.377 1.00 0.45 H new ATOM 0 HZ3 TRP A 47 1.900 0.073 8.182 1.00 0.45 H new ATOM 0 HH2 TRP A 47 4.325 0.490 8.173 1.00 0.47 H new ATOM 441 N LEU A 48 -2.384 5.540 4.353 1.00 0.31 N ATOM 442 CA LEU A 48 -3.792 5.442 4.004 1.00 0.31 C ATOM 443 C LEU A 48 -4.054 4.202 3.169 1.00 0.28 C ATOM 444 O LEU A 48 -3.127 3.626 2.602 1.00 0.29 O ATOM 445 CB LEU A 48 -4.311 6.697 3.275 1.00 0.37 C ATOM 446 CG LEU A 48 -3.686 6.998 1.908 1.00 0.45 C ATOM 447 CD1 LEU A 48 -4.538 7.999 1.152 1.00 0.60 C ATOM 448 CD2 LEU A 48 -2.277 7.542 2.063 1.00 0.55 C ATOM 0 H LEU A 48 -1.747 5.099 3.690 1.00 0.31 H new ATOM 0 HA LEU A 48 -4.342 5.365 4.942 1.00 0.31 H new ATOM 0 HB2 LEU A 48 -5.388 6.595 3.143 1.00 0.37 H new ATOM 0 HB3 LEU A 48 -4.150 7.559 3.922 1.00 0.37 H new ATOM 0 HG LEU A 48 -3.639 6.065 1.346 1.00 0.45 H new ATOM 0 HD11 LEU A 48 -4.084 8.205 0.183 1.00 0.60 H new ATOM 0 HD12 LEU A 48 -5.537 7.589 1.005 1.00 0.60 H new ATOM 0 HD13 LEU A 48 -4.606 8.924 1.724 1.00 0.60 H new ATOM 0 HD21 LEU A 48 -1.856 7.747 1.079 1.00 0.55 H new ATOM 0 HD22 LEU A 48 -2.305 8.463 2.645 1.00 0.55 H new ATOM 0 HD23 LEU A 48 -1.657 6.807 2.576 1.00 0.55 H new ATOM 460 N ILE A 49 -5.307 3.786 3.111 1.00 0.34 N ATOM 461 CA ILE A 49 -5.708 2.671 2.268 1.00 0.36 C ATOM 462 C ILE A 49 -6.869 3.103 1.388 1.00 0.42 C ATOM 463 O ILE A 49 -7.943 3.420 1.881 1.00 0.65 O ATOM 464 CB ILE A 49 -6.142 1.457 3.114 1.00 0.39 C ATOM 465 CG1 ILE A 49 -5.098 1.184 4.200 1.00 0.38 C ATOM 466 CG2 ILE A 49 -6.345 0.228 2.231 1.00 0.49 C ATOM 467 CD1 ILE A 49 -5.528 0.157 5.221 1.00 0.46 C ATOM 0 H ILE A 49 -6.070 4.207 3.642 1.00 0.34 H new ATOM 0 HA ILE A 49 -4.853 2.378 1.658 1.00 0.36 H new ATOM 0 HB ILE A 49 -7.095 1.682 3.593 1.00 0.39 H new ATOM 0 HG12 ILE A 49 -4.176 0.847 3.727 1.00 0.38 H new ATOM 0 HG13 ILE A 49 -4.870 2.118 4.713 1.00 0.38 H new ATOM 0 HG21 ILE A 49 -6.651 -0.617 2.848 1.00 0.49 H new ATOM 0 HG22 ILE A 49 -7.118 0.435 1.491 1.00 0.49 H new ATOM 0 HG23 ILE A 49 -5.411 -0.013 1.723 1.00 0.49 H new ATOM 0 HD11 ILE A 49 -4.735 0.020 5.956 1.00 0.46 H new ATOM 0 HD12 ILE A 49 -6.432 0.500 5.723 1.00 0.46 H new ATOM 0 HD13 ILE A 49 -5.728 -0.791 4.722 1.00 0.46 H new ATOM 479 N LEU A 50 -6.653 3.142 0.086 1.00 0.41 N ATOM 480 CA LEU A 50 -7.723 3.540 -0.821 1.00 0.53 C ATOM 481 C LEU A 50 -8.722 2.414 -1.021 1.00 0.78 C ATOM 482 O LEU A 50 -9.910 2.647 -1.153 1.00 1.77 O ATOM 483 CB LEU A 50 -7.171 3.994 -2.171 1.00 0.49 C ATOM 484 CG LEU A 50 -6.472 5.352 -2.171 1.00 0.49 C ATOM 485 CD1 LEU A 50 -6.021 5.696 -3.579 1.00 0.93 C ATOM 486 CD2 LEU A 50 -7.396 6.432 -1.625 1.00 0.99 C ATOM 0 H LEU A 50 -5.768 2.909 -0.364 1.00 0.41 H new ATOM 0 HA LEU A 50 -8.237 4.383 -0.359 1.00 0.53 H new ATOM 0 HB2 LEU A 50 -6.467 3.242 -2.528 1.00 0.49 H new ATOM 0 HB3 LEU A 50 -7.992 4.027 -2.887 1.00 0.49 H new ATOM 0 HG LEU A 50 -5.597 5.299 -1.523 1.00 0.49 H new ATOM 0 HD11 LEU A 50 -5.523 6.665 -3.575 1.00 0.93 H new ATOM 0 HD12 LEU A 50 -5.328 4.934 -3.936 1.00 0.93 H new ATOM 0 HD13 LEU A 50 -6.888 5.736 -4.239 1.00 0.93 H new ATOM 0 HD21 LEU A 50 -6.879 7.392 -1.633 1.00 0.99 H new ATOM 0 HD22 LEU A 50 -8.289 6.495 -2.247 1.00 0.99 H new ATOM 0 HD23 LEU A 50 -7.682 6.183 -0.603 1.00 0.99 H new ATOM 498 N HIS A 51 -8.227 1.197 -1.035 1.00 0.67 N ATOM 499 CA HIS A 51 -9.057 0.023 -1.311 1.00 0.73 C ATOM 500 C HIS A 51 -8.364 -1.240 -0.846 1.00 0.82 C ATOM 501 O HIS A 51 -8.979 -2.119 -0.254 1.00 1.80 O ATOM 502 CB HIS A 51 -9.363 -0.120 -2.812 1.00 0.79 C ATOM 503 CG HIS A 51 -10.584 0.623 -3.288 1.00 1.23 C ATOM 504 ND1 HIS A 51 -11.870 0.143 -3.135 1.00 1.87 N ATOM 505 CD2 HIS A 51 -10.705 1.805 -3.939 1.00 1.56 C ATOM 506 CE1 HIS A 51 -12.723 0.996 -3.672 1.00 2.45 C ATOM 507 NE2 HIS A 51 -12.041 2.007 -4.168 1.00 2.30 N ATOM 0 H HIS A 51 -7.246 0.983 -0.858 1.00 0.67 H new ATOM 0 HA HIS A 51 -9.991 0.165 -0.768 1.00 0.73 H new ATOM 0 HB2 HIS A 51 -8.500 0.230 -3.378 1.00 0.79 H new ATOM 0 HB3 HIS A 51 -9.488 -1.178 -3.043 1.00 0.79 H new ATOM 0 HD2 HIS A 51 -9.899 2.465 -4.224 1.00 1.56 H new ATOM 0 HE1 HIS A 51 -13.797 0.884 -3.700 1.00 2.45 H new ATOM 0 HE2 HIS A 51 -12.443 2.813 -4.647 1.00 2.30 H new ATOM 516 N HIS A 52 -7.072 -1.327 -1.135 1.00 0.46 N ATOM 517 CA HIS A 52 -6.323 -2.551 -0.909 1.00 0.42 C ATOM 518 C HIS A 52 -4.874 -2.231 -0.587 1.00 0.43 C ATOM 519 O HIS A 52 -4.295 -2.777 0.347 1.00 0.81 O ATOM 520 CB HIS A 52 -6.393 -3.424 -2.162 1.00 0.58 C ATOM 521 CG HIS A 52 -6.622 -4.868 -1.864 1.00 1.12 C ATOM 522 ND1 HIS A 52 -7.503 -5.644 -2.573 1.00 1.75 N ATOM 523 CD2 HIS A 52 -6.122 -5.658 -0.894 1.00 1.81 C ATOM 524 CE1 HIS A 52 -7.544 -6.848 -2.044 1.00 2.34 C ATOM 525 NE2 HIS A 52 -6.717 -6.892 -1.017 1.00 2.36 N ATOM 0 H HIS A 52 -6.523 -0.562 -1.527 1.00 0.46 H new ATOM 0 HA HIS A 52 -6.758 -3.085 -0.064 1.00 0.42 H new ATOM 0 HB2 HIS A 52 -7.195 -3.061 -2.805 1.00 0.58 H new ATOM 0 HB3 HIS A 52 -5.464 -3.319 -2.722 1.00 0.58 H new ATOM 0 HD1 HIS A 52 -8.042 -5.336 -3.383 1.00 1.75 H new ATOM 0 HD2 HIS A 52 -5.388 -5.374 -0.155 1.00 1.81 H new ATOM 0 HE1 HIS A 52 -8.155 -7.667 -2.394 1.00 2.34 H new ATOM 534 N LYS A 53 -4.295 -1.350 -1.388 1.00 0.33 N ATOM 535 CA LYS A 53 -2.914 -0.936 -1.208 1.00 0.36 C ATOM 536 C LYS A 53 -2.807 0.139 -0.133 1.00 0.29 C ATOM 537 O LYS A 53 -3.697 0.985 -0.003 1.00 0.32 O ATOM 538 CB LYS A 53 -2.348 -0.395 -2.522 1.00 0.45 C ATOM 539 CG LYS A 53 -2.206 -1.442 -3.607 1.00 0.66 C ATOM 540 CD LYS A 53 -1.965 -0.811 -4.969 1.00 0.95 C ATOM 541 CE LYS A 53 -1.533 -1.846 -5.995 1.00 1.25 C ATOM 542 NZ LYS A 53 -2.444 -3.020 -6.012 1.00 1.76 N ATOM 0 H LYS A 53 -4.766 -0.905 -2.176 1.00 0.33 H new ATOM 0 HA LYS A 53 -2.339 -1.808 -0.895 1.00 0.36 H new ATOM 0 HB2 LYS A 53 -2.996 0.403 -2.884 1.00 0.45 H new ATOM 0 HB3 LYS A 53 -1.371 0.050 -2.330 1.00 0.45 H new ATOM 0 HG2 LYS A 53 -1.379 -2.109 -3.363 1.00 0.66 H new ATOM 0 HG3 LYS A 53 -3.108 -2.053 -3.643 1.00 0.66 H new ATOM 0 HD2 LYS A 53 -2.876 -0.319 -5.309 1.00 0.95 H new ATOM 0 HD3 LYS A 53 -1.199 -0.040 -4.884 1.00 0.95 H new ATOM 0 HE2 LYS A 53 -1.510 -1.389 -6.984 1.00 1.25 H new ATOM 0 HE3 LYS A 53 -0.518 -2.176 -5.773 1.00 1.25 H new ATOM 0 HZ1 LYS A 53 -2.506 -3.398 -6.979 1.00 1.76 H new ATOM 0 HZ2 LYS A 53 -2.075 -3.755 -5.376 1.00 1.76 H new ATOM 0 HZ3 LYS A 53 -3.390 -2.730 -5.693 1.00 1.76 H new ATOM 556 N VAL A 54 -1.714 0.107 0.610 1.00 0.27 N ATOM 557 CA VAL A 54 -1.418 1.127 1.606 1.00 0.25 C ATOM 558 C VAL A 54 -0.461 2.160 1.001 1.00 0.23 C ATOM 559 O VAL A 54 0.451 1.814 0.245 1.00 0.25 O ATOM 560 CB VAL A 54 -0.799 0.497 2.881 1.00 0.28 C ATOM 561 CG1 VAL A 54 0.441 -0.311 2.547 1.00 0.30 C ATOM 562 CG2 VAL A 54 -0.479 1.560 3.925 1.00 0.32 C ATOM 0 H VAL A 54 -1.007 -0.625 0.541 1.00 0.27 H new ATOM 0 HA VAL A 54 -2.347 1.617 1.897 1.00 0.25 H new ATOM 0 HB VAL A 54 -1.542 -0.179 3.304 1.00 0.28 H new ATOM 0 HG11 VAL A 54 0.853 -0.740 3.461 1.00 0.30 H new ATOM 0 HG12 VAL A 54 0.178 -1.112 1.856 1.00 0.30 H new ATOM 0 HG13 VAL A 54 1.184 0.338 2.084 1.00 0.30 H new ATOM 0 HG21 VAL A 54 -0.047 1.086 4.806 1.00 0.32 H new ATOM 0 HG22 VAL A 54 0.233 2.274 3.511 1.00 0.32 H new ATOM 0 HG23 VAL A 54 -1.394 2.081 4.206 1.00 0.32 H new ATOM 572 N TYR A 55 -0.701 3.426 1.295 1.00 0.23 N ATOM 573 CA TYR A 55 0.145 4.505 0.797 1.00 0.25 C ATOM 574 C TYR A 55 0.771 5.242 1.972 1.00 0.27 C ATOM 575 O TYR A 55 0.384 5.022 3.119 1.00 0.35 O ATOM 576 CB TYR A 55 -0.654 5.507 -0.060 1.00 0.27 C ATOM 577 CG TYR A 55 -1.343 4.935 -1.287 1.00 0.27 C ATOM 578 CD1 TYR A 55 -2.290 3.926 -1.175 1.00 0.74 C ATOM 579 CD2 TYR A 55 -1.063 5.428 -2.558 1.00 0.83 C ATOM 580 CE1 TYR A 55 -2.933 3.421 -2.286 1.00 0.77 C ATOM 581 CE2 TYR A 55 -1.709 4.933 -3.674 1.00 0.85 C ATOM 582 CZ TYR A 55 -2.642 3.929 -3.532 1.00 0.42 C ATOM 583 OH TYR A 55 -3.283 3.431 -4.642 1.00 0.49 O ATOM 0 H TYR A 55 -1.478 3.736 1.879 1.00 0.23 H new ATOM 0 HA TYR A 55 0.918 4.061 0.170 1.00 0.25 H new ATOM 0 HB2 TYR A 55 -1.410 5.973 0.572 1.00 0.27 H new ATOM 0 HB3 TYR A 55 0.023 6.298 -0.384 1.00 0.27 H new ATOM 0 HD1 TYR A 55 -2.528 3.529 -0.199 1.00 0.74 H new ATOM 0 HD2 TYR A 55 -0.328 6.211 -2.674 1.00 0.83 H new ATOM 0 HE1 TYR A 55 -3.661 2.631 -2.179 1.00 0.77 H new ATOM 0 HE2 TYR A 55 -1.484 5.331 -4.653 1.00 0.85 H new ATOM 0 HH TYR A 55 -2.963 3.899 -5.442 1.00 0.49 H new ATOM 593 N ASP A 56 1.718 6.121 1.684 1.00 0.34 N ATOM 594 CA ASP A 56 2.291 6.993 2.701 1.00 0.38 C ATOM 595 C ASP A 56 2.171 8.443 2.240 1.00 0.38 C ATOM 596 O ASP A 56 2.316 8.716 1.050 1.00 0.48 O ATOM 597 CB ASP A 56 3.766 6.638 2.973 1.00 0.47 C ATOM 598 CG ASP A 56 4.428 7.539 4.007 1.00 0.63 C ATOM 599 OD1 ASP A 56 4.741 8.705 3.684 1.00 0.94 O ATOM 600 OD2 ASP A 56 4.666 7.080 5.146 1.00 1.32 O ATOM 0 H ASP A 56 2.108 6.251 0.751 1.00 0.34 H new ATOM 0 HA ASP A 56 1.742 6.856 3.633 1.00 0.38 H new ATOM 0 HB2 ASP A 56 3.826 5.604 3.313 1.00 0.47 H new ATOM 0 HB3 ASP A 56 4.324 6.699 2.039 1.00 0.47 H new ATOM 605 N LEU A 57 1.882 9.365 3.152 1.00 0.37 N ATOM 606 CA LEU A 57 1.933 10.788 2.815 1.00 0.39 C ATOM 607 C LEU A 57 2.684 11.565 3.891 1.00 0.51 C ATOM 608 O LEU A 57 2.559 12.780 3.968 1.00 1.12 O ATOM 609 CB LEU A 57 0.533 11.403 2.672 1.00 0.45 C ATOM 610 CG LEU A 57 -0.471 10.612 1.829 1.00 0.53 C ATOM 611 CD1 LEU A 57 -1.881 11.156 2.018 1.00 1.35 C ATOM 612 CD2 LEU A 57 -0.093 10.662 0.360 1.00 1.27 C ATOM 0 H LEU A 57 1.614 9.161 4.115 1.00 0.37 H new ATOM 0 HA LEU A 57 2.449 10.859 1.857 1.00 0.39 H new ATOM 0 HB2 LEU A 57 0.114 11.535 3.669 1.00 0.45 H new ATOM 0 HB3 LEU A 57 0.638 12.397 2.236 1.00 0.45 H new ATOM 0 HG LEU A 57 -0.447 9.575 2.164 1.00 0.53 H new ATOM 0 HD11 LEU A 57 -2.578 10.579 1.410 1.00 1.35 H new ATOM 0 HD12 LEU A 57 -2.164 11.077 3.068 1.00 1.35 H new ATOM 0 HD13 LEU A 57 -1.912 12.202 1.712 1.00 1.35 H new ATOM 0 HD21 LEU A 57 -0.819 10.094 -0.222 1.00 1.27 H new ATOM 0 HD22 LEU A 57 -0.087 11.698 0.021 1.00 1.27 H new ATOM 0 HD23 LEU A 57 0.899 10.230 0.225 1.00 1.27 H new ATOM 624 N THR A 58 3.498 10.869 4.686 1.00 0.54 N ATOM 625 CA THR A 58 4.111 11.452 5.887 1.00 0.56 C ATOM 626 C THR A 58 4.822 12.782 5.596 1.00 0.66 C ATOM 627 O THR A 58 4.764 13.713 6.397 1.00 1.15 O ATOM 628 CB THR A 58 5.095 10.462 6.545 1.00 0.65 C ATOM 629 OG1 THR A 58 4.426 9.220 6.817 1.00 1.43 O ATOM 630 CG2 THR A 58 5.658 11.021 7.848 1.00 1.12 C ATOM 0 H THR A 58 3.751 9.895 4.521 1.00 0.54 H new ATOM 0 HA THR A 58 3.295 11.658 6.580 1.00 0.56 H new ATOM 0 HB THR A 58 5.920 10.301 5.851 1.00 0.65 H new ATOM 0 HG1 THR A 58 4.730 8.539 6.181 1.00 1.43 H new ATOM 0 HG21 THR A 58 6.347 10.299 8.286 1.00 1.12 H new ATOM 0 HG22 THR A 58 6.188 11.952 7.646 1.00 1.12 H new ATOM 0 HG23 THR A 58 4.842 11.212 8.545 1.00 1.12 H new ATOM 638 N LYS A 59 5.491 12.875 4.459 1.00 0.57 N ATOM 639 CA LYS A 59 6.081 14.141 4.030 1.00 0.58 C ATOM 640 C LYS A 59 5.189 14.834 2.990 1.00 0.48 C ATOM 641 O LYS A 59 5.267 16.042 2.781 1.00 0.54 O ATOM 642 CB LYS A 59 7.491 13.906 3.473 1.00 0.69 C ATOM 643 CG LYS A 59 8.603 14.412 4.390 1.00 1.37 C ATOM 644 CD LYS A 59 8.496 15.912 4.650 1.00 1.96 C ATOM 645 CE LYS A 59 8.744 16.711 3.380 1.00 2.58 C ATOM 646 NZ LYS A 59 8.581 18.175 3.584 1.00 3.59 N ATOM 0 H LYS A 59 5.641 12.097 3.817 1.00 0.57 H new ATOM 0 HA LYS A 59 6.157 14.799 4.895 1.00 0.58 H new ATOM 0 HB2 LYS A 59 7.631 12.839 3.300 1.00 0.69 H new ATOM 0 HB3 LYS A 59 7.577 14.399 2.505 1.00 0.69 H new ATOM 0 HG2 LYS A 59 8.562 13.876 5.338 1.00 1.37 H new ATOM 0 HG3 LYS A 59 9.571 14.191 3.941 1.00 1.37 H new ATOM 0 HD2 LYS A 59 7.506 16.146 5.042 1.00 1.96 H new ATOM 0 HD3 LYS A 59 9.218 16.204 5.413 1.00 1.96 H new ATOM 0 HE2 LYS A 59 9.752 16.508 3.019 1.00 2.58 H new ATOM 0 HE3 LYS A 59 8.055 16.377 2.605 1.00 2.58 H new ATOM 0 HZ1 LYS A 59 8.491 18.646 2.661 1.00 3.59 H new ATOM 0 HZ2 LYS A 59 7.726 18.354 4.149 1.00 3.59 H new ATOM 0 HZ3 LYS A 59 9.412 18.550 4.084 1.00 3.59 H new ATOM 660 N PHE A 60 4.312 14.042 2.373 1.00 0.40 N ATOM 661 CA PHE A 60 3.557 14.428 1.201 1.00 0.35 C ATOM 662 C PHE A 60 2.377 15.321 1.556 1.00 0.36 C ATOM 663 O PHE A 60 1.682 15.858 0.697 1.00 0.40 O ATOM 664 CB PHE A 60 3.095 13.149 0.517 1.00 0.37 C ATOM 665 CG PHE A 60 4.234 12.247 0.129 1.00 0.76 C ATOM 666 CD1 PHE A 60 4.993 12.495 -1.004 1.00 1.40 C ATOM 667 CD2 PHE A 60 4.542 11.155 0.911 1.00 1.62 C ATOM 668 CE1 PHE A 60 6.041 11.660 -1.350 1.00 1.72 C ATOM 669 CE2 PHE A 60 5.592 10.313 0.576 1.00 2.01 C ATOM 670 CZ PHE A 60 6.344 10.568 -0.557 1.00 1.72 C ATOM 0 H PHE A 60 4.109 13.094 2.689 1.00 0.40 H new ATOM 0 HA PHE A 60 4.185 15.015 0.531 1.00 0.35 H new ATOM 0 HB2 PHE A 60 2.422 12.610 1.184 1.00 0.37 H new ATOM 0 HB3 PHE A 60 2.522 13.406 -0.374 1.00 0.37 H new ATOM 0 HD1 PHE A 60 4.764 13.349 -1.624 1.00 1.40 H new ATOM 0 HD2 PHE A 60 3.958 10.952 1.797 1.00 1.62 H new ATOM 0 HE1 PHE A 60 6.622 11.861 -2.238 1.00 1.72 H new ATOM 0 HE2 PHE A 60 5.822 9.461 1.198 1.00 2.01 H new ATOM 0 HZ PHE A 60 7.164 9.917 -0.821 1.00 1.72 H new ATOM 680 N LEU A 61 2.179 15.409 2.876 1.00 0.38 N ATOM 681 CA LEU A 61 1.034 16.046 3.507 1.00 0.44 C ATOM 682 C LEU A 61 0.816 17.463 3.004 1.00 0.47 C ATOM 683 O LEU A 61 -0.308 17.962 2.990 1.00 0.60 O ATOM 684 CB LEU A 61 1.287 16.125 5.009 1.00 0.50 C ATOM 685 CG LEU A 61 1.313 14.807 5.776 1.00 0.56 C ATOM 686 CD1 LEU A 61 1.749 15.073 7.205 1.00 0.72 C ATOM 687 CD2 LEU A 61 -0.053 14.140 5.755 1.00 0.61 C ATOM 0 H LEU A 61 2.839 15.023 3.552 1.00 0.38 H new ATOM 0 HA LEU A 61 0.153 15.451 3.268 1.00 0.44 H new ATOM 0 HB2 LEU A 61 2.241 16.627 5.166 1.00 0.50 H new ATOM 0 HB3 LEU A 61 0.517 16.758 5.450 1.00 0.50 H new ATOM 0 HG LEU A 61 2.021 14.130 5.297 1.00 0.56 H new ATOM 0 HD11 LEU A 61 1.770 14.135 7.760 1.00 0.72 H new ATOM 0 HD12 LEU A 61 2.745 15.517 7.205 1.00 0.72 H new ATOM 0 HD13 LEU A 61 1.046 15.759 7.678 1.00 0.72 H new ATOM 0 HD21 LEU A 61 -0.008 13.202 6.309 1.00 0.61 H new ATOM 0 HD22 LEU A 61 -0.787 14.800 6.217 1.00 0.61 H new ATOM 0 HD23 LEU A 61 -0.344 13.939 4.724 1.00 0.61 H new ATOM 699 N GLU A 62 1.942 18.100 2.676 1.00 0.46 N ATOM 700 CA GLU A 62 1.997 19.501 2.277 1.00 0.55 C ATOM 701 C GLU A 62 1.958 19.646 0.755 1.00 0.53 C ATOM 702 O GLU A 62 1.493 20.651 0.217 1.00 0.72 O ATOM 703 CB GLU A 62 3.282 20.121 2.850 1.00 0.68 C ATOM 704 CG GLU A 62 4.562 19.382 2.469 1.00 0.99 C ATOM 705 CD GLU A 62 5.731 19.726 3.373 1.00 1.22 C ATOM 706 OE1 GLU A 62 6.285 20.832 3.244 1.00 1.60 O ATOM 707 OE2 GLU A 62 6.110 18.879 4.211 1.00 1.62 O ATOM 0 H GLU A 62 2.855 17.646 2.681 1.00 0.46 H new ATOM 0 HA GLU A 62 1.125 20.024 2.671 1.00 0.55 H new ATOM 0 HB2 GLU A 62 3.357 21.153 2.508 1.00 0.68 H new ATOM 0 HB3 GLU A 62 3.204 20.151 3.937 1.00 0.68 H new ATOM 0 HG2 GLU A 62 4.382 18.308 2.509 1.00 0.99 H new ATOM 0 HG3 GLU A 62 4.822 19.623 1.438 1.00 0.99 H new ATOM 714 N GLU A 63 2.465 18.614 0.077 1.00 0.42 N ATOM 715 CA GLU A 63 2.639 18.625 -1.378 1.00 0.48 C ATOM 716 C GLU A 63 1.316 18.456 -2.114 1.00 0.46 C ATOM 717 O GLU A 63 1.210 18.789 -3.297 1.00 0.66 O ATOM 718 CB GLU A 63 3.583 17.497 -1.796 1.00 0.59 C ATOM 719 CG GLU A 63 5.035 17.739 -1.425 1.00 1.05 C ATOM 720 CD GLU A 63 5.641 18.897 -2.190 1.00 1.31 C ATOM 721 OE1 GLU A 63 5.322 19.064 -3.386 1.00 2.03 O ATOM 722 OE2 GLU A 63 6.467 19.628 -1.613 1.00 1.83 O ATOM 0 H GLU A 63 2.767 17.747 0.521 1.00 0.42 H new ATOM 0 HA GLU A 63 3.058 19.595 -1.646 1.00 0.48 H new ATOM 0 HB2 GLU A 63 3.250 16.568 -1.333 1.00 0.59 H new ATOM 0 HB3 GLU A 63 3.512 17.359 -2.875 1.00 0.59 H new ATOM 0 HG2 GLU A 63 5.106 17.937 -0.355 1.00 1.05 H new ATOM 0 HG3 GLU A 63 5.613 16.836 -1.621 1.00 1.05 H new ATOM 729 N HIS A 64 0.332 17.905 -1.411 1.00 0.33 N ATOM 730 CA HIS A 64 -0.959 17.564 -1.994 1.00 0.32 C ATOM 731 C HIS A 64 -1.974 18.695 -1.818 1.00 0.42 C ATOM 732 O HIS A 64 -2.185 19.173 -0.702 1.00 0.52 O ATOM 733 CB HIS A 64 -1.457 16.275 -1.345 1.00 0.38 C ATOM 734 CG HIS A 64 -2.851 15.785 -1.678 1.00 0.36 C ATOM 735 ND1 HIS A 64 -3.936 15.942 -0.835 1.00 0.44 N ATOM 736 CD2 HIS A 64 -3.281 15.090 -2.784 1.00 0.34 C ATOM 737 CE1 HIS A 64 -4.998 15.353 -1.412 1.00 0.43 C ATOM 738 NE2 HIS A 64 -4.631 14.827 -2.589 1.00 0.36 N ATOM 0 H HIS A 64 0.408 17.682 -0.419 1.00 0.33 H new ATOM 0 HA HIS A 64 -0.841 17.417 -3.068 1.00 0.32 H new ATOM 0 HB2 HIS A 64 -0.757 15.482 -1.606 1.00 0.38 H new ATOM 0 HB3 HIS A 64 -1.402 16.406 -0.264 1.00 0.38 H new ATOM 0 HD2 HIS A 64 -2.685 14.804 -3.638 1.00 0.34 H new ATOM 0 HE1 HIS A 64 -5.992 15.310 -0.992 1.00 0.43 H new ATOM 0 HE2 HIS A 64 -5.239 14.320 -3.232 1.00 0.36 H new ATOM 746 N PRO A 65 -2.608 19.131 -2.933 1.00 0.51 N ATOM 747 CA PRO A 65 -3.598 20.226 -2.940 1.00 0.73 C ATOM 748 C PRO A 65 -4.664 20.091 -1.853 1.00 0.90 C ATOM 749 O PRO A 65 -5.526 19.215 -1.938 1.00 1.46 O ATOM 750 CB PRO A 65 -4.245 20.096 -4.319 1.00 0.96 C ATOM 751 CG PRO A 65 -3.188 19.508 -5.180 1.00 0.81 C ATOM 752 CD PRO A 65 -2.393 18.589 -4.293 1.00 0.55 C ATOM 0 HA PRO A 65 -3.125 21.188 -2.744 1.00 0.73 H new ATOM 0 HB2 PRO A 65 -5.127 19.457 -4.283 1.00 0.96 H new ATOM 0 HB3 PRO A 65 -4.569 21.066 -4.697 1.00 0.96 H new ATOM 0 HG2 PRO A 65 -3.625 18.962 -6.016 1.00 0.81 H new ATOM 0 HG3 PRO A 65 -2.553 20.286 -5.605 1.00 0.81 H new ATOM 0 HD2 PRO A 65 -2.740 17.559 -4.372 1.00 0.55 H new ATOM 0 HD3 PRO A 65 -1.336 18.591 -4.561 1.00 0.55 H new ATOM 760 N GLY A 66 -4.618 20.961 -0.852 1.00 1.08 N ATOM 761 CA GLY A 66 -5.623 20.935 0.196 1.00 1.38 C ATOM 762 C GLY A 66 -5.643 19.618 0.942 1.00 1.38 C ATOM 763 O GLY A 66 -6.668 18.927 0.982 1.00 2.03 O ATOM 0 H GLY A 66 -3.905 21.683 -0.746 1.00 1.08 H new ATOM 0 HA2 GLY A 66 -5.432 21.745 0.899 1.00 1.38 H new ATOM 0 HA3 GLY A 66 -6.605 21.117 -0.241 1.00 1.38 H new ATOM 767 N GLY A 67 -4.507 19.265 1.518 1.00 1.25 N ATOM 768 CA GLY A 67 -4.412 18.043 2.281 1.00 1.70 C ATOM 769 C GLY A 67 -4.210 18.312 3.759 1.00 1.24 C ATOM 770 O GLY A 67 -5.014 19.012 4.370 1.00 1.66 O ATOM 0 H GLY A 67 -3.644 19.807 1.470 1.00 1.25 H new ATOM 0 HA2 GLY A 67 -5.319 17.456 2.140 1.00 1.70 H new ATOM 0 HA3 GLY A 67 -3.583 17.444 1.905 1.00 1.70 H new ATOM 774 N GLU A 68 -3.123 17.760 4.309 1.00 1.38 N ATOM 775 CA GLU A 68 -2.747 17.907 5.725 1.00 1.18 C ATOM 776 C GLU A 68 -3.898 17.526 6.674 1.00 0.94 C ATOM 777 O GLU A 68 -3.973 16.400 7.172 1.00 0.98 O ATOM 778 CB GLU A 68 -2.236 19.331 6.000 1.00 1.50 C ATOM 779 CG GLU A 68 -1.136 19.386 7.054 1.00 1.48 C ATOM 780 CD GLU A 68 -0.542 20.774 7.223 1.00 2.09 C ATOM 781 OE1 GLU A 68 -1.108 21.582 7.983 1.00 2.25 O ATOM 782 OE2 GLU A 68 0.514 21.052 6.614 1.00 2.88 O ATOM 0 H GLU A 68 -2.467 17.189 3.776 1.00 1.38 H new ATOM 0 HA GLU A 68 -1.936 17.207 5.926 1.00 1.18 H new ATOM 0 HB2 GLU A 68 -1.861 19.760 5.071 1.00 1.50 H new ATOM 0 HB3 GLU A 68 -3.071 19.953 6.324 1.00 1.50 H new ATOM 0 HG2 GLU A 68 -1.540 19.051 8.010 1.00 1.48 H new ATOM 0 HG3 GLU A 68 -0.344 18.689 6.781 1.00 1.48 H new ATOM 789 N GLU A 69 -4.802 18.484 6.882 1.00 0.91 N ATOM 790 CA GLU A 69 -5.916 18.355 7.818 1.00 0.84 C ATOM 791 C GLU A 69 -6.879 17.252 7.405 1.00 0.75 C ATOM 792 O GLU A 69 -7.227 16.386 8.202 1.00 0.78 O ATOM 793 CB GLU A 69 -6.688 19.674 7.893 1.00 0.97 C ATOM 794 CG GLU A 69 -5.882 20.844 8.433 1.00 1.64 C ATOM 795 CD GLU A 69 -5.548 20.692 9.902 1.00 1.97 C ATOM 796 OE1 GLU A 69 -6.484 20.605 10.723 1.00 2.27 O ATOM 797 OE2 GLU A 69 -4.347 20.651 10.243 1.00 2.63 O ATOM 0 H GLU A 69 -4.780 19.382 6.399 1.00 0.91 H new ATOM 0 HA GLU A 69 -5.494 18.101 8.790 1.00 0.84 H new ATOM 0 HB2 GLU A 69 -7.049 19.927 6.896 1.00 0.97 H new ATOM 0 HB3 GLU A 69 -7.566 19.532 8.523 1.00 0.97 H new ATOM 0 HG2 GLU A 69 -4.958 20.938 7.862 1.00 1.64 H new ATOM 0 HG3 GLU A 69 -6.444 21.766 8.285 1.00 1.64 H new ATOM 804 N VAL A 70 -7.328 17.312 6.154 1.00 0.79 N ATOM 805 CA VAL A 70 -8.395 16.436 5.674 1.00 0.86 C ATOM 806 C VAL A 70 -7.894 15.040 5.365 1.00 0.82 C ATOM 807 O VAL A 70 -8.685 14.149 5.059 1.00 1.01 O ATOM 808 CB VAL A 70 -9.081 17.009 4.420 1.00 1.09 C ATOM 809 CG1 VAL A 70 -9.732 18.339 4.746 1.00 1.96 C ATOM 810 CG2 VAL A 70 -8.096 17.149 3.265 1.00 1.41 C ATOM 0 H VAL A 70 -6.969 17.959 5.452 1.00 0.79 H new ATOM 0 HA VAL A 70 -9.119 16.377 6.486 1.00 0.86 H new ATOM 0 HB VAL A 70 -9.856 16.311 4.102 1.00 1.09 H new ATOM 0 HG11 VAL A 70 -10.215 18.736 3.853 1.00 1.96 H new ATOM 0 HG12 VAL A 70 -10.477 18.197 5.529 1.00 1.96 H new ATOM 0 HG13 VAL A 70 -8.973 19.041 5.091 1.00 1.96 H new ATOM 0 HG21 VAL A 70 -8.611 17.556 2.395 1.00 1.41 H new ATOM 0 HG22 VAL A 70 -7.288 17.820 3.555 1.00 1.41 H new ATOM 0 HG23 VAL A 70 -7.684 16.171 3.018 1.00 1.41 H new ATOM 820 N LEU A 71 -6.589 14.846 5.441 1.00 0.72 N ATOM 821 CA LEU A 71 -6.030 13.532 5.188 1.00 0.74 C ATOM 822 C LEU A 71 -6.236 12.643 6.410 1.00 0.70 C ATOM 823 O LEU A 71 -6.672 11.500 6.281 1.00 0.77 O ATOM 824 CB LEU A 71 -4.538 13.652 4.848 1.00 0.84 C ATOM 825 CG LEU A 71 -4.240 14.457 3.580 1.00 1.10 C ATOM 826 CD1 LEU A 71 -2.744 14.526 3.339 1.00 1.62 C ATOM 827 CD2 LEU A 71 -4.946 13.840 2.377 1.00 1.69 C ATOM 0 H LEU A 71 -5.907 15.569 5.672 1.00 0.72 H new ATOM 0 HA LEU A 71 -6.539 13.079 4.337 1.00 0.74 H new ATOM 0 HB2 LEU A 71 -4.023 14.117 5.688 1.00 0.84 H new ATOM 0 HB3 LEU A 71 -4.122 12.651 4.734 1.00 0.84 H new ATOM 0 HG LEU A 71 -4.617 15.471 3.717 1.00 1.10 H new ATOM 0 HD11 LEU A 71 -2.547 15.101 2.434 1.00 1.62 H new ATOM 0 HD12 LEU A 71 -2.261 15.009 4.188 1.00 1.62 H new ATOM 0 HD13 LEU A 71 -2.348 13.518 3.221 1.00 1.62 H new ATOM 0 HD21 LEU A 71 -4.723 14.425 1.485 1.00 1.69 H new ATOM 0 HD22 LEU A 71 -4.598 12.817 2.236 1.00 1.69 H new ATOM 0 HD23 LEU A 71 -6.022 13.837 2.549 1.00 1.69 H new ATOM 839 N ARG A 72 -5.956 13.204 7.578 1.00 0.70 N ATOM 840 CA ARG A 72 -5.889 12.467 8.846 1.00 0.78 C ATOM 841 C ARG A 72 -7.175 11.699 9.137 1.00 0.92 C ATOM 842 O ARG A 72 -7.162 10.664 9.798 1.00 1.03 O ATOM 843 CB ARG A 72 -5.619 13.447 9.991 1.00 0.77 C ATOM 844 CG ARG A 72 -4.376 14.299 9.789 1.00 1.42 C ATOM 845 CD ARG A 72 -4.164 15.246 10.955 1.00 1.49 C ATOM 846 NE ARG A 72 -5.349 16.059 11.214 1.00 2.11 N ATOM 847 CZ ARG A 72 -5.361 17.388 11.158 1.00 2.48 C ATOM 848 NH1 ARG A 72 -4.248 18.044 10.852 1.00 2.24 N ATOM 849 NH2 ARG A 72 -6.477 18.061 11.410 1.00 3.47 N ATOM 0 H ARG A 72 -5.765 14.201 7.680 1.00 0.70 H new ATOM 0 HA ARG A 72 -5.080 11.741 8.761 1.00 0.78 H new ATOM 0 HB2 ARG A 72 -6.482 14.102 10.107 1.00 0.77 H new ATOM 0 HB3 ARG A 72 -5.517 12.886 10.920 1.00 0.77 H new ATOM 0 HG2 ARG A 72 -3.504 13.654 9.678 1.00 1.42 H new ATOM 0 HG3 ARG A 72 -4.470 14.870 8.866 1.00 1.42 H new ATOM 0 HD2 ARG A 72 -3.914 14.673 11.848 1.00 1.49 H new ATOM 0 HD3 ARG A 72 -3.315 15.897 10.745 1.00 1.49 H new ATOM 0 HE ARG A 72 -6.218 15.580 11.452 1.00 2.11 H new ATOM 0 HH11 ARG A 72 -3.389 17.529 10.661 1.00 2.24 H new ATOM 0 HH12 ARG A 72 -4.252 19.063 10.808 1.00 2.24 H new ATOM 0 HH21 ARG A 72 -7.332 17.559 11.648 1.00 3.47 H new ATOM 0 HH22 ARG A 72 -6.479 19.080 11.365 1.00 3.47 H new ATOM 863 N GLU A 73 -8.278 12.255 8.637 1.00 1.13 N ATOM 864 CA GLU A 73 -9.632 11.770 8.906 1.00 1.55 C ATOM 865 C GLU A 73 -9.929 10.500 8.114 1.00 1.28 C ATOM 866 O GLU A 73 -10.758 9.683 8.514 1.00 1.60 O ATOM 867 CB GLU A 73 -10.619 12.880 8.517 1.00 1.97 C ATOM 868 CG GLU A 73 -12.083 12.570 8.801 1.00 2.63 C ATOM 869 CD GLU A 73 -12.379 12.412 10.278 1.00 3.18 C ATOM 870 OE1 GLU A 73 -12.049 13.330 11.056 1.00 3.55 O ATOM 871 OE2 GLU A 73 -12.950 11.374 10.663 1.00 3.65 O ATOM 0 H GLU A 73 -8.256 13.069 8.023 1.00 1.13 H new ATOM 0 HA GLU A 73 -9.729 11.524 9.964 1.00 1.55 H new ATOM 0 HB2 GLU A 73 -10.346 13.791 9.050 1.00 1.97 H new ATOM 0 HB3 GLU A 73 -10.507 13.088 7.453 1.00 1.97 H new ATOM 0 HG2 GLU A 73 -12.703 13.369 8.395 1.00 2.63 H new ATOM 0 HG3 GLU A 73 -12.362 11.654 8.280 1.00 2.63 H new ATOM 878 N GLN A 74 -9.238 10.357 6.989 1.00 0.77 N ATOM 879 CA GLN A 74 -9.501 9.289 6.031 1.00 0.62 C ATOM 880 C GLN A 74 -8.312 8.339 5.972 1.00 0.56 C ATOM 881 O GLN A 74 -8.345 7.308 5.303 1.00 0.64 O ATOM 882 CB GLN A 74 -9.732 9.920 4.655 1.00 0.63 C ATOM 883 CG GLN A 74 -10.770 11.035 4.663 1.00 0.76 C ATOM 884 CD GLN A 74 -12.197 10.531 4.812 1.00 1.00 C ATOM 885 OE1 GLN A 74 -12.451 9.489 5.409 1.00 1.57 O ATOM 886 NE2 GLN A 74 -13.145 11.285 4.273 1.00 1.68 N ATOM 0 H GLN A 74 -8.478 10.980 6.715 1.00 0.77 H new ATOM 0 HA GLN A 74 -10.381 8.723 6.336 1.00 0.62 H new ATOM 0 HB2 GLN A 74 -8.787 10.317 4.283 1.00 0.63 H new ATOM 0 HB3 GLN A 74 -10.049 9.145 3.957 1.00 0.63 H new ATOM 0 HG2 GLN A 74 -10.548 11.722 5.480 1.00 0.76 H new ATOM 0 HG3 GLN A 74 -10.688 11.604 3.737 1.00 0.76 H new ATOM 0 HE21 GLN A 74 -12.896 12.145 3.784 1.00 1.68 H new ATOM 0 HE22 GLN A 74 -14.123 11.005 4.347 1.00 1.68 H new ATOM 895 N ALA A 75 -7.251 8.711 6.677 1.00 0.55 N ATOM 896 CA ALA A 75 -5.994 7.984 6.621 1.00 0.58 C ATOM 897 C ALA A 75 -5.944 6.883 7.665 1.00 0.52 C ATOM 898 O ALA A 75 -6.708 6.890 8.627 1.00 0.70 O ATOM 899 CB ALA A 75 -4.818 8.928 6.807 1.00 0.70 C ATOM 0 H ALA A 75 -7.239 9.520 7.299 1.00 0.55 H new ATOM 0 HA ALA A 75 -5.927 7.524 5.635 1.00 0.58 H new ATOM 0 HB1 ALA A 75 -3.887 8.363 6.762 1.00 0.70 H new ATOM 0 HB2 ALA A 75 -4.826 9.679 6.017 1.00 0.70 H new ATOM 0 HB3 ALA A 75 -4.897 9.421 7.776 1.00 0.70 H new ATOM 905 N GLY A 76 -5.028 5.945 7.469 1.00 0.49 N ATOM 906 CA GLY A 76 -4.921 4.791 8.341 1.00 0.58 C ATOM 907 C GLY A 76 -5.913 3.709 7.970 1.00 0.48 C ATOM 908 O GLY A 76 -5.601 2.521 8.035 1.00 0.72 O ATOM 0 H GLY A 76 -4.347 5.964 6.710 1.00 0.49 H new ATOM 0 HA2 GLY A 76 -3.909 4.389 8.289 1.00 0.58 H new ATOM 0 HA3 GLY A 76 -5.089 5.099 9.373 1.00 0.58 H new ATOM 912 N GLY A 77 -7.107 4.125 7.577 1.00 0.42 N ATOM 913 CA GLY A 77 -8.105 3.192 7.106 1.00 0.52 C ATOM 914 C GLY A 77 -8.456 3.452 5.658 1.00 0.44 C ATOM 915 O GLY A 77 -7.578 3.791 4.864 1.00 0.78 O ATOM 0 H GLY A 77 -7.403 5.101 7.577 1.00 0.42 H new ATOM 0 HA2 GLY A 77 -7.735 2.173 7.216 1.00 0.52 H new ATOM 0 HA3 GLY A 77 -9.002 3.273 7.721 1.00 0.52 H new ATOM 919 N ASP A 78 -9.728 3.303 5.306 1.00 0.55 N ATOM 920 CA ASP A 78 -10.163 3.551 3.934 1.00 0.72 C ATOM 921 C ASP A 78 -10.306 5.050 3.681 1.00 0.67 C ATOM 922 O ASP A 78 -10.855 5.770 4.515 1.00 1.04 O ATOM 923 CB ASP A 78 -11.475 2.821 3.625 1.00 1.14 C ATOM 924 CG ASP A 78 -11.887 2.938 2.172 1.00 1.82 C ATOM 925 OD1 ASP A 78 -12.394 4.010 1.781 1.00 2.59 O ATOM 926 OD2 ASP A 78 -11.707 1.957 1.421 1.00 2.28 O ATOM 0 H ASP A 78 -10.470 3.015 5.943 1.00 0.55 H new ATOM 0 HA ASP A 78 -9.399 3.158 3.263 1.00 0.72 H new ATOM 0 HB2 ASP A 78 -11.368 1.767 3.883 1.00 1.14 H new ATOM 0 HB3 ASP A 78 -12.267 3.225 4.256 1.00 1.14 H new ATOM 931 N ALA A 79 -9.836 5.510 2.534 1.00 0.54 N ATOM 932 CA ALA A 79 -9.913 6.926 2.194 1.00 0.58 C ATOM 933 C ALA A 79 -10.650 7.142 0.879 1.00 0.56 C ATOM 934 O ALA A 79 -10.713 8.261 0.362 1.00 0.67 O ATOM 935 CB ALA A 79 -8.517 7.512 2.096 1.00 0.73 C ATOM 0 H ALA A 79 -9.397 4.927 1.821 1.00 0.54 H new ATOM 0 HA ALA A 79 -10.469 7.430 2.985 1.00 0.58 H new ATOM 0 HB1 ALA A 79 -8.583 8.570 1.842 1.00 0.73 H new ATOM 0 HB2 ALA A 79 -8.007 7.400 3.053 1.00 0.73 H new ATOM 0 HB3 ALA A 79 -7.956 6.988 1.323 1.00 0.73 H new ATOM 941 N THR A 80 -11.235 6.085 0.348 1.00 0.54 N ATOM 942 CA THR A 80 -11.767 6.129 -1.000 1.00 0.60 C ATOM 943 C THR A 80 -13.156 6.770 -1.052 1.00 0.65 C ATOM 944 O THR A 80 -13.745 6.878 -2.124 1.00 0.84 O ATOM 945 CB THR A 80 -11.795 4.724 -1.639 1.00 0.66 C ATOM 946 OG1 THR A 80 -11.704 4.833 -3.066 1.00 0.84 O ATOM 947 CG2 THR A 80 -13.056 3.958 -1.264 1.00 0.70 C ATOM 0 H THR A 80 -11.353 5.192 0.826 1.00 0.54 H new ATOM 0 HA THR A 80 -11.093 6.758 -1.581 1.00 0.60 H new ATOM 0 HB THR A 80 -10.938 4.170 -1.255 1.00 0.66 H new ATOM 0 HG1 THR A 80 -11.962 3.981 -3.476 1.00 0.84 H new ATOM 0 HG21 THR A 80 -13.037 2.974 -1.734 1.00 0.70 H new ATOM 0 HG22 THR A 80 -13.103 3.842 -0.181 1.00 0.70 H new ATOM 0 HG23 THR A 80 -13.932 4.508 -1.608 1.00 0.70 H new ATOM 955 N GLU A 81 -13.667 7.209 0.098 1.00 0.65 N ATOM 956 CA GLU A 81 -14.942 7.932 0.150 1.00 0.79 C ATOM 957 C GLU A 81 -14.984 9.024 -0.929 1.00 0.85 C ATOM 958 O GLU A 81 -15.786 8.985 -1.859 1.00 0.98 O ATOM 959 CB GLU A 81 -15.125 8.565 1.533 1.00 0.91 C ATOM 960 CG GLU A 81 -16.328 9.490 1.618 1.00 1.54 C ATOM 961 CD GLU A 81 -17.635 8.759 1.847 1.00 1.82 C ATOM 962 OE1 GLU A 81 -17.987 7.880 1.032 1.00 2.27 O ATOM 963 OE2 GLU A 81 -18.324 9.090 2.838 1.00 2.27 O ATOM 0 H GLU A 81 -13.220 7.078 1.006 1.00 0.65 H new ATOM 0 HA GLU A 81 -15.751 7.225 -0.034 1.00 0.79 H new ATOM 0 HB2 GLU A 81 -15.231 7.774 2.275 1.00 0.91 H new ATOM 0 HB3 GLU A 81 -14.226 9.125 1.790 1.00 0.91 H new ATOM 0 HG2 GLU A 81 -16.172 10.203 2.428 1.00 1.54 H new ATOM 0 HG3 GLU A 81 -16.400 10.066 0.696 1.00 1.54 H new ATOM 970 N ASN A 82 -14.067 9.979 -0.795 1.00 0.82 N ATOM 971 CA ASN A 82 -13.980 11.140 -1.682 1.00 0.90 C ATOM 972 C ASN A 82 -13.504 10.727 -3.075 1.00 0.94 C ATOM 973 O ASN A 82 -13.682 11.443 -4.061 1.00 1.09 O ATOM 974 CB ASN A 82 -13.009 12.155 -1.060 1.00 0.93 C ATOM 975 CG ASN A 82 -12.849 13.443 -1.861 1.00 1.70 C ATOM 976 OD1 ASN A 82 -13.624 14.385 -1.706 1.00 2.41 O ATOM 977 ND2 ASN A 82 -11.820 13.505 -2.698 1.00 2.40 N ATOM 0 H ASN A 82 -13.357 9.970 -0.063 1.00 0.82 H new ATOM 0 HA ASN A 82 -14.967 11.589 -1.793 1.00 0.90 H new ATOM 0 HB2 ASN A 82 -13.356 12.405 -0.058 1.00 0.93 H new ATOM 0 HB3 ASN A 82 -12.032 11.685 -0.951 1.00 0.93 H new ATOM 0 HD21 ASN A 82 -11.652 14.354 -3.238 1.00 2.40 H new ATOM 0 HD22 ASN A 82 -11.197 12.704 -2.801 1.00 2.40 H new ATOM 984 N PHE A 83 -12.895 9.544 -3.122 1.00 0.85 N ATOM 985 CA PHE A 83 -12.231 9.038 -4.319 1.00 0.89 C ATOM 986 C PHE A 83 -13.241 8.377 -5.248 1.00 1.02 C ATOM 987 O PHE A 83 -13.120 8.443 -6.464 1.00 1.17 O ATOM 988 CB PHE A 83 -11.145 8.032 -3.907 1.00 0.81 C ATOM 989 CG PHE A 83 -10.258 7.578 -5.040 1.00 0.86 C ATOM 990 CD1 PHE A 83 -10.633 6.520 -5.856 1.00 1.20 C ATOM 991 CD2 PHE A 83 -9.050 8.211 -5.291 1.00 0.97 C ATOM 992 CE1 PHE A 83 -9.825 6.109 -6.901 1.00 1.33 C ATOM 993 CE2 PHE A 83 -8.239 7.806 -6.335 1.00 1.06 C ATOM 994 CZ PHE A 83 -8.627 6.752 -7.140 1.00 1.13 C ATOM 0 H PHE A 83 -12.849 8.907 -2.326 1.00 0.85 H new ATOM 0 HA PHE A 83 -11.771 9.868 -4.854 1.00 0.89 H new ATOM 0 HB2 PHE A 83 -10.524 8.482 -3.133 1.00 0.81 H new ATOM 0 HB3 PHE A 83 -11.624 7.159 -3.464 1.00 0.81 H new ATOM 0 HD1 PHE A 83 -11.568 6.011 -5.673 1.00 1.20 H new ATOM 0 HD2 PHE A 83 -8.738 9.032 -4.662 1.00 0.97 H new ATOM 0 HE1 PHE A 83 -10.131 5.286 -7.529 1.00 1.33 H new ATOM 0 HE2 PHE A 83 -7.304 8.313 -6.521 1.00 1.06 H new ATOM 0 HZ PHE A 83 -7.994 6.432 -7.955 1.00 1.13 H new ATOM 1004 N GLU A 84 -14.223 7.711 -4.642 1.00 1.00 N ATOM 1005 CA GLU A 84 -15.264 6.992 -5.374 1.00 1.14 C ATOM 1006 C GLU A 84 -16.312 7.944 -5.912 1.00 1.24 C ATOM 1007 O GLU A 84 -16.942 7.693 -6.932 1.00 1.46 O ATOM 1008 CB GLU A 84 -15.965 5.987 -4.462 1.00 1.20 C ATOM 1009 CG GLU A 84 -15.101 4.827 -4.013 1.00 1.33 C ATOM 1010 CD GLU A 84 -14.497 4.064 -5.170 1.00 1.72 C ATOM 1011 OE1 GLU A 84 -15.258 3.492 -5.974 1.00 2.30 O ATOM 1012 OE2 GLU A 84 -13.258 4.021 -5.267 1.00 2.19 O ATOM 0 H GLU A 84 -14.319 7.655 -3.628 1.00 1.00 H new ATOM 0 HA GLU A 84 -14.775 6.477 -6.201 1.00 1.14 H new ATOM 0 HB2 GLU A 84 -16.331 6.512 -3.580 1.00 1.20 H new ATOM 0 HB3 GLU A 84 -16.837 5.592 -4.983 1.00 1.20 H new ATOM 0 HG2 GLU A 84 -14.301 5.202 -3.374 1.00 1.33 H new ATOM 0 HG3 GLU A 84 -15.700 4.146 -3.408 1.00 1.33 H new ATOM 1019 N ASP A 85 -16.527 9.009 -5.148 1.00 1.18 N ATOM 1020 CA ASP A 85 -17.555 9.995 -5.436 1.00 1.34 C ATOM 1021 C ASP A 85 -17.102 10.960 -6.526 1.00 1.45 C ATOM 1022 O ASP A 85 -17.766 11.122 -7.546 1.00 1.90 O ATOM 1023 CB ASP A 85 -17.883 10.769 -4.160 1.00 1.35 C ATOM 1024 CG ASP A 85 -19.011 11.759 -4.363 1.00 1.62 C ATOM 1025 OD1 ASP A 85 -20.172 11.321 -4.517 1.00 1.88 O ATOM 1026 OD2 ASP A 85 -18.740 12.976 -4.368 1.00 1.81 O ATOM 0 H ASP A 85 -15.988 9.211 -4.306 1.00 1.18 H new ATOM 0 HA ASP A 85 -18.444 9.476 -5.794 1.00 1.34 H new ATOM 0 HB2 ASP A 85 -18.156 10.067 -3.372 1.00 1.35 H new ATOM 0 HB3 ASP A 85 -16.993 11.300 -3.821 1.00 1.35 H new ATOM 1031 N VAL A 86 -15.964 11.608 -6.280 1.00 1.34 N ATOM 1032 CA VAL A 86 -15.429 12.629 -7.178 1.00 1.50 C ATOM 1033 C VAL A 86 -14.546 12.005 -8.259 1.00 1.26 C ATOM 1034 O VAL A 86 -14.519 12.466 -9.397 1.00 1.87 O ATOM 1035 CB VAL A 86 -14.607 13.680 -6.400 1.00 2.10 C ATOM 1036 CG1 VAL A 86 -14.103 14.777 -7.324 1.00 2.70 C ATOM 1037 CG2 VAL A 86 -15.423 14.274 -5.260 1.00 2.64 C ATOM 0 H VAL A 86 -15.389 11.440 -5.455 1.00 1.34 H new ATOM 0 HA VAL A 86 -16.282 13.118 -7.649 1.00 1.50 H new ATOM 0 HB VAL A 86 -13.741 13.173 -5.974 1.00 2.10 H new ATOM 0 HG11 VAL A 86 -13.528 15.502 -6.748 1.00 2.70 H new ATOM 0 HG12 VAL A 86 -13.468 14.340 -8.095 1.00 2.70 H new ATOM 0 HG13 VAL A 86 -14.951 15.276 -7.792 1.00 2.70 H new ATOM 0 HG21 VAL A 86 -14.822 15.011 -4.728 1.00 2.64 H new ATOM 0 HG22 VAL A 86 -16.314 14.755 -5.663 1.00 2.64 H new ATOM 0 HG23 VAL A 86 -15.718 13.481 -4.572 1.00 2.64 H new ATOM 1047 N GLY A 87 -13.801 10.972 -7.875 1.00 1.38 N ATOM 1048 CA GLY A 87 -13.018 10.200 -8.833 1.00 1.82 C ATOM 1049 C GLY A 87 -11.659 10.796 -9.173 1.00 1.46 C ATOM 1050 O GLY A 87 -10.882 10.167 -9.890 1.00 2.23 O ATOM 0 H GLY A 87 -13.724 10.651 -6.910 1.00 1.38 H new ATOM 0 HA2 GLY A 87 -12.870 9.196 -8.435 1.00 1.82 H new ATOM 0 HA3 GLY A 87 -13.594 10.096 -9.752 1.00 1.82 H new ATOM 1054 N HIS A 88 -11.361 11.986 -8.644 1.00 1.05 N ATOM 1055 CA HIS A 88 -10.133 12.709 -9.003 1.00 0.81 C ATOM 1056 C HIS A 88 -10.112 12.983 -10.509 1.00 0.89 C ATOM 1057 O HIS A 88 -11.157 13.205 -11.126 1.00 1.32 O ATOM 1058 CB HIS A 88 -8.869 11.918 -8.613 1.00 0.89 C ATOM 1059 CG HIS A 88 -8.401 12.095 -7.196 1.00 0.58 C ATOM 1060 ND1 HIS A 88 -8.740 11.243 -6.151 1.00 0.88 N ATOM 1061 CD2 HIS A 88 -7.516 12.989 -6.679 1.00 0.65 C ATOM 1062 CE1 HIS A 88 -8.056 11.634 -5.058 1.00 0.98 C ATOM 1063 NE2 HIS A 88 -7.313 12.666 -5.352 1.00 0.48 N ATOM 0 H HIS A 88 -11.950 12.470 -7.967 1.00 1.05 H new ATOM 0 HA HIS A 88 -10.131 13.648 -8.450 1.00 0.81 H new ATOM 0 HB2 HIS A 88 -9.059 10.858 -8.784 1.00 0.89 H new ATOM 0 HB3 HIS A 88 -8.060 12.209 -9.283 1.00 0.89 H new ATOM 0 HD1 HIS A 88 -9.392 10.460 -6.203 1.00 0.88 H new ATOM 0 HD2 HIS A 88 -7.054 13.807 -7.212 1.00 0.65 H new ATOM 0 HE1 HIS A 88 -8.114 11.165 -4.087 1.00 0.98 H new ATOM 1071 N SER A 89 -8.921 12.994 -11.086 1.00 0.81 N ATOM 1072 CA SER A 89 -8.768 13.020 -12.528 1.00 1.00 C ATOM 1073 C SER A 89 -7.563 12.168 -12.920 1.00 1.00 C ATOM 1074 O SER A 89 -6.906 11.597 -12.040 1.00 1.43 O ATOM 1075 CB SER A 89 -8.640 14.462 -13.037 1.00 1.22 C ATOM 1076 OG SER A 89 -7.719 15.206 -12.262 1.00 1.06 O ATOM 0 H SER A 89 -8.041 12.985 -10.571 1.00 0.81 H new ATOM 0 HA SER A 89 -9.657 12.599 -12.998 1.00 1.00 H new ATOM 0 HB2 SER A 89 -8.318 14.454 -14.078 1.00 1.22 H new ATOM 0 HB3 SER A 89 -9.616 14.947 -13.009 1.00 1.22 H new ATOM 0 HG SER A 89 -6.812 15.062 -12.604 1.00 1.06 H new ATOM 1082 N THR A 90 -7.282 12.077 -14.220 1.00 1.14 N ATOM 1083 CA THR A 90 -6.227 11.202 -14.739 1.00 1.15 C ATOM 1084 C THR A 90 -4.912 11.367 -13.970 1.00 1.15 C ATOM 1085 O THR A 90 -4.230 10.386 -13.663 1.00 1.72 O ATOM 1086 CB THR A 90 -5.977 11.493 -16.231 1.00 1.27 C ATOM 1087 OG1 THR A 90 -7.219 11.454 -16.948 1.00 1.45 O ATOM 1088 CG2 THR A 90 -5.006 10.489 -16.832 1.00 1.49 C ATOM 0 H THR A 90 -7.775 12.604 -14.941 1.00 1.14 H new ATOM 0 HA THR A 90 -6.572 10.176 -14.610 1.00 1.15 H new ATOM 0 HB THR A 90 -5.536 12.486 -16.314 1.00 1.27 H new ATOM 0 HG1 THR A 90 -7.056 11.641 -17.896 1.00 1.45 H new ATOM 0 HG21 THR A 90 -4.849 10.720 -17.886 1.00 1.49 H new ATOM 0 HG22 THR A 90 -4.054 10.542 -16.303 1.00 1.49 H new ATOM 0 HG23 THR A 90 -5.417 9.484 -16.738 1.00 1.49 H new ATOM 1096 N ASP A 91 -4.603 12.612 -13.633 1.00 0.95 N ATOM 1097 CA ASP A 91 -3.354 12.987 -12.970 1.00 0.97 C ATOM 1098 C ASP A 91 -3.048 12.093 -11.761 1.00 0.89 C ATOM 1099 O ASP A 91 -1.931 11.600 -11.593 1.00 0.88 O ATOM 1100 CB ASP A 91 -3.458 14.446 -12.520 1.00 1.12 C ATOM 1101 CG ASP A 91 -4.191 15.306 -13.536 1.00 1.65 C ATOM 1102 OD1 ASP A 91 -5.442 15.298 -13.524 1.00 2.46 O ATOM 1103 OD2 ASP A 91 -3.530 15.965 -14.363 1.00 1.90 O ATOM 0 H ASP A 91 -5.220 13.404 -13.814 1.00 0.95 H new ATOM 0 HA ASP A 91 -2.538 12.858 -13.681 1.00 0.97 H new ATOM 0 HB2 ASP A 91 -3.978 14.494 -11.563 1.00 1.12 H new ATOM 0 HB3 ASP A 91 -2.458 14.848 -12.360 1.00 1.12 H new ATOM 1108 N ALA A 92 -4.065 11.883 -10.931 1.00 0.90 N ATOM 1109 CA ALA A 92 -3.904 11.232 -9.632 1.00 0.90 C ATOM 1110 C ALA A 92 -3.802 9.715 -9.746 1.00 0.82 C ATOM 1111 O ALA A 92 -3.376 9.046 -8.808 1.00 1.07 O ATOM 1112 CB ALA A 92 -5.065 11.609 -8.733 1.00 0.97 C ATOM 0 H ALA A 92 -5.025 12.159 -11.139 1.00 0.90 H new ATOM 0 HA ALA A 92 -2.965 11.581 -9.202 1.00 0.90 H new ATOM 0 HB1 ALA A 92 -4.947 11.125 -7.764 1.00 0.97 H new ATOM 0 HB2 ALA A 92 -5.085 12.690 -8.598 1.00 0.97 H new ATOM 0 HB3 ALA A 92 -6.000 11.283 -9.190 1.00 0.97 H new ATOM 1118 N ARG A 93 -4.195 9.179 -10.892 1.00 0.75 N ATOM 1119 CA ARG A 93 -4.126 7.739 -11.135 1.00 0.73 C ATOM 1120 C ARG A 93 -2.684 7.338 -11.435 1.00 0.69 C ATOM 1121 O ARG A 93 -2.272 6.195 -11.243 1.00 0.81 O ATOM 1122 CB ARG A 93 -5.006 7.368 -12.340 1.00 0.82 C ATOM 1123 CG ARG A 93 -4.216 7.271 -13.643 1.00 1.64 C ATOM 1124 CD ARG A 93 -5.089 7.053 -14.865 1.00 1.70 C ATOM 1125 NE ARG A 93 -4.262 6.808 -16.049 1.00 2.71 N ATOM 1126 CZ ARG A 93 -4.686 6.929 -17.306 1.00 3.02 C ATOM 1127 NH1 ARG A 93 -5.934 7.316 -17.566 1.00 2.38 N ATOM 1128 NH2 ARG A 93 -3.842 6.681 -18.301 1.00 4.15 N ATOM 0 H ARG A 93 -4.567 9.719 -11.673 1.00 0.75 H new ATOM 0 HA ARG A 93 -4.480 7.215 -10.248 1.00 0.73 H new ATOM 0 HB2 ARG A 93 -5.496 6.414 -12.146 1.00 0.82 H new ATOM 0 HB3 ARG A 93 -5.793 8.114 -12.452 1.00 0.82 H new ATOM 0 HG2 ARG A 93 -3.638 8.186 -13.777 1.00 1.64 H new ATOM 0 HG3 ARG A 93 -3.502 6.451 -13.566 1.00 1.64 H new ATOM 0 HD2 ARG A 93 -5.755 6.206 -14.697 1.00 1.70 H new ATOM 0 HD3 ARG A 93 -5.720 7.927 -15.029 1.00 1.70 H new ATOM 0 HE ARG A 93 -3.293 6.525 -15.900 1.00 2.71 H new ATOM 0 HH11 ARG A 93 -6.574 7.523 -16.799 1.00 2.38 H new ATOM 0 HH12 ARG A 93 -6.249 7.406 -18.532 1.00 2.38 H new ATOM 0 HH21 ARG A 93 -2.882 6.402 -18.098 1.00 4.15 H new ATOM 0 HH22 ARG A 93 -4.154 6.770 -19.268 1.00 4.15 H new ATOM 1142 N GLU A 94 -1.933 8.319 -11.916 1.00 0.60 N ATOM 1143 CA GLU A 94 -0.675 8.076 -12.599 1.00 0.60 C ATOM 1144 C GLU A 94 0.489 8.481 -11.710 1.00 0.58 C ATOM 1145 O GLU A 94 1.575 7.904 -11.762 1.00 0.74 O ATOM 1146 CB GLU A 94 -0.673 8.885 -13.904 1.00 0.68 C ATOM 1147 CG GLU A 94 0.322 8.396 -14.944 1.00 1.19 C ATOM 1148 CD GLU A 94 0.035 6.980 -15.408 1.00 1.38 C ATOM 1149 OE1 GLU A 94 -1.153 6.641 -15.624 1.00 2.11 O ATOM 1150 OE2 GLU A 94 0.999 6.196 -15.547 1.00 1.62 O ATOM 0 H GLU A 94 -2.181 9.306 -11.842 1.00 0.60 H new ATOM 0 HA GLU A 94 -0.566 7.015 -12.826 1.00 0.60 H new ATOM 0 HB2 GLU A 94 -1.674 8.858 -14.335 1.00 0.68 H new ATOM 0 HB3 GLU A 94 -0.454 9.927 -13.671 1.00 0.68 H new ATOM 0 HG2 GLU A 94 0.303 9.067 -15.803 1.00 1.19 H new ATOM 0 HG3 GLU A 94 1.328 8.441 -14.528 1.00 1.19 H new ATOM 1157 N MET A 95 0.227 9.495 -10.897 1.00 0.48 N ATOM 1158 CA MET A 95 1.226 10.075 -10.018 1.00 0.49 C ATOM 1159 C MET A 95 1.359 9.267 -8.732 1.00 0.42 C ATOM 1160 O MET A 95 2.415 9.236 -8.107 1.00 0.50 O ATOM 1161 CB MET A 95 0.825 11.515 -9.693 1.00 0.53 C ATOM 1162 CG MET A 95 1.809 12.238 -8.790 1.00 0.65 C ATOM 1163 SD MET A 95 1.323 13.941 -8.448 1.00 1.09 S ATOM 1164 CE MET A 95 1.289 14.618 -10.105 1.00 1.75 C ATOM 0 H MET A 95 -0.689 9.938 -10.830 1.00 0.48 H new ATOM 0 HA MET A 95 2.192 10.062 -10.522 1.00 0.49 H new ATOM 0 HB2 MET A 95 0.724 12.073 -10.624 1.00 0.53 H new ATOM 0 HB3 MET A 95 -0.155 11.510 -9.216 1.00 0.53 H new ATOM 0 HG2 MET A 95 1.899 11.695 -7.849 1.00 0.65 H new ATOM 0 HG3 MET A 95 2.794 12.233 -9.256 1.00 0.65 H new ATOM 0 HE1 MET A 95 1.395 15.702 -10.057 1.00 1.75 H new ATOM 0 HE2 MET A 95 2.110 14.198 -10.686 1.00 1.75 H new ATOM 0 HE3 MET A 95 0.341 14.367 -10.581 1.00 1.75 H new ATOM 1174 N SER A 96 0.263 8.610 -8.355 1.00 0.34 N ATOM 1175 CA SER A 96 0.134 8.016 -7.031 1.00 0.31 C ATOM 1176 C SER A 96 0.957 6.735 -6.887 1.00 0.31 C ATOM 1177 O SER A 96 1.106 6.187 -5.795 1.00 0.33 O ATOM 1178 CB SER A 96 -1.341 7.761 -6.730 1.00 0.36 C ATOM 1179 OG SER A 96 -1.951 6.993 -7.750 1.00 1.13 O ATOM 0 H SER A 96 -0.552 8.477 -8.954 1.00 0.34 H new ATOM 0 HA SER A 96 0.535 8.721 -6.302 1.00 0.31 H new ATOM 0 HB2 SER A 96 -1.435 7.242 -5.776 1.00 0.36 H new ATOM 0 HB3 SER A 96 -1.863 8.713 -6.628 1.00 0.36 H new ATOM 0 HG SER A 96 -2.613 7.541 -8.221 1.00 1.13 H new ATOM 1185 N LYS A 97 1.440 6.256 -8.038 1.00 0.36 N ATOM 1186 CA LYS A 97 1.998 4.911 -8.203 1.00 0.43 C ATOM 1187 C LYS A 97 3.208 4.656 -7.325 1.00 0.41 C ATOM 1188 O LYS A 97 3.466 3.513 -6.944 1.00 0.48 O ATOM 1189 CB LYS A 97 2.353 4.686 -9.673 1.00 0.56 C ATOM 1190 CG LYS A 97 1.124 4.595 -10.562 1.00 0.83 C ATOM 1191 CD LYS A 97 1.482 4.418 -12.030 1.00 1.15 C ATOM 1192 CE LYS A 97 0.238 4.148 -12.862 1.00 1.56 C ATOM 1193 NZ LYS A 97 0.551 3.945 -14.302 1.00 2.15 N ATOM 0 H LYS A 97 1.454 6.804 -8.898 1.00 0.36 H new ATOM 0 HA LYS A 97 1.234 4.202 -7.885 1.00 0.43 H new ATOM 0 HB2 LYS A 97 2.988 5.502 -10.019 1.00 0.56 H new ATOM 0 HB3 LYS A 97 2.934 3.768 -9.767 1.00 0.56 H new ATOM 0 HG2 LYS A 97 0.506 3.758 -10.238 1.00 0.83 H new ATOM 0 HG3 LYS A 97 0.525 5.498 -10.443 1.00 0.83 H new ATOM 0 HD2 LYS A 97 1.983 5.314 -12.397 1.00 1.15 H new ATOM 0 HD3 LYS A 97 2.185 3.592 -12.140 1.00 1.15 H new ATOM 0 HE2 LYS A 97 -0.269 3.264 -12.475 1.00 1.56 H new ATOM 0 HE3 LYS A 97 -0.454 4.984 -12.758 1.00 1.56 H new ATOM 0 HZ1 LYS A 97 -0.325 3.731 -14.821 1.00 2.15 H new ATOM 0 HZ2 LYS A 97 0.980 4.809 -14.689 1.00 2.15 H new ATOM 0 HZ3 LYS A 97 1.216 3.152 -14.404 1.00 2.15 H new ATOM 1207 N THR A 98 3.955 5.718 -7.040 1.00 0.40 N ATOM 1208 CA THR A 98 5.143 5.632 -6.201 1.00 0.46 C ATOM 1209 C THR A 98 4.827 5.959 -4.745 1.00 0.41 C ATOM 1210 O THR A 98 5.719 5.999 -3.901 1.00 0.48 O ATOM 1211 CB THR A 98 6.236 6.588 -6.701 1.00 0.59 C ATOM 1212 OG1 THR A 98 5.709 7.431 -7.737 1.00 1.01 O ATOM 1213 CG2 THR A 98 7.437 5.814 -7.219 1.00 1.15 C ATOM 0 H THR A 98 3.754 6.658 -7.383 1.00 0.40 H new ATOM 0 HA THR A 98 5.500 4.604 -6.262 1.00 0.46 H new ATOM 0 HB THR A 98 6.563 7.206 -5.865 1.00 0.59 H new ATOM 0 HG1 THR A 98 6.410 8.040 -8.051 1.00 1.01 H new ATOM 0 HG21 THR A 98 8.197 6.513 -7.567 1.00 1.15 H new ATOM 0 HG22 THR A 98 7.848 5.201 -6.417 1.00 1.15 H new ATOM 0 HG23 THR A 98 7.128 5.173 -8.044 1.00 1.15 H new ATOM 1221 N PHE A 99 3.556 6.206 -4.469 1.00 0.32 N ATOM 1222 CA PHE A 99 3.093 6.450 -3.111 1.00 0.32 C ATOM 1223 C PHE A 99 2.716 5.127 -2.472 1.00 0.30 C ATOM 1224 O PHE A 99 2.600 5.005 -1.253 1.00 0.31 O ATOM 1225 CB PHE A 99 1.893 7.393 -3.136 1.00 0.34 C ATOM 1226 CG PHE A 99 2.264 8.806 -3.452 1.00 0.36 C ATOM 1227 CD1 PHE A 99 2.372 9.242 -4.759 1.00 0.77 C ATOM 1228 CD2 PHE A 99 2.496 9.699 -2.430 1.00 0.88 C ATOM 1229 CE1 PHE A 99 2.709 10.552 -5.040 1.00 0.81 C ATOM 1230 CE2 PHE A 99 2.827 11.008 -2.702 1.00 0.90 C ATOM 1231 CZ PHE A 99 2.936 11.437 -4.007 1.00 0.47 C ATOM 0 H PHE A 99 2.820 6.243 -5.175 1.00 0.32 H new ATOM 0 HA PHE A 99 3.886 6.917 -2.527 1.00 0.32 H new ATOM 0 HB2 PHE A 99 1.175 7.038 -3.875 1.00 0.34 H new ATOM 0 HB3 PHE A 99 1.394 7.363 -2.167 1.00 0.34 H new ATOM 0 HD1 PHE A 99 2.191 8.551 -5.569 1.00 0.77 H new ATOM 0 HD2 PHE A 99 2.418 9.370 -1.404 1.00 0.88 H new ATOM 0 HE1 PHE A 99 2.794 10.882 -6.065 1.00 0.81 H new ATOM 0 HE2 PHE A 99 3.001 11.700 -1.891 1.00 0.90 H new ATOM 0 HZ PHE A 99 3.198 12.463 -4.220 1.00 0.47 H new ATOM 1241 N ILE A 100 2.532 4.132 -3.332 1.00 0.32 N ATOM 1242 CA ILE A 100 2.089 2.814 -2.916 1.00 0.32 C ATOM 1243 C ILE A 100 3.243 2.037 -2.278 1.00 0.34 C ATOM 1244 O ILE A 100 4.138 1.569 -2.983 1.00 0.43 O ATOM 1245 CB ILE A 100 1.555 2.006 -4.119 1.00 0.34 C ATOM 1246 CG1 ILE A 100 0.470 2.792 -4.863 1.00 0.32 C ATOM 1247 CG2 ILE A 100 1.019 0.656 -3.656 1.00 0.42 C ATOM 1248 CD1 ILE A 100 0.034 2.155 -6.166 1.00 0.38 C ATOM 0 H ILE A 100 2.687 4.220 -4.336 1.00 0.32 H new ATOM 0 HA ILE A 100 1.289 2.952 -2.189 1.00 0.32 H new ATOM 0 HB ILE A 100 2.380 1.832 -4.809 1.00 0.34 H new ATOM 0 HG12 ILE A 100 -0.399 2.897 -4.213 1.00 0.32 H new ATOM 0 HG13 ILE A 100 0.839 3.797 -5.067 1.00 0.32 H new ATOM 0 HG21 ILE A 100 0.646 0.098 -4.515 1.00 0.42 H new ATOM 0 HG22 ILE A 100 1.819 0.092 -3.177 1.00 0.42 H new ATOM 0 HG23 ILE A 100 0.208 0.811 -2.945 1.00 0.42 H new ATOM 0 HD11 ILE A 100 -0.735 2.770 -6.632 1.00 0.38 H new ATOM 0 HD12 ILE A 100 0.890 2.075 -6.836 1.00 0.38 H new ATOM 0 HD13 ILE A 100 -0.367 1.161 -5.969 1.00 0.38 H new ATOM 1260 N ILE A 101 3.228 1.894 -0.959 1.00 0.32 N ATOM 1261 CA ILE A 101 4.308 1.191 -0.272 1.00 0.35 C ATOM 1262 C ILE A 101 4.075 -0.314 -0.257 1.00 0.36 C ATOM 1263 O ILE A 101 5.027 -1.090 -0.197 1.00 0.43 O ATOM 1264 CB ILE A 101 4.523 1.694 1.171 1.00 0.36 C ATOM 1265 CG1 ILE A 101 3.195 1.771 1.920 1.00 0.33 C ATOM 1266 CG2 ILE A 101 5.223 3.045 1.159 1.00 0.46 C ATOM 1267 CD1 ILE A 101 3.334 2.246 3.349 1.00 0.38 C ATOM 0 H ILE A 101 2.492 2.249 -0.349 1.00 0.32 H new ATOM 0 HA ILE A 101 5.212 1.408 -0.841 1.00 0.35 H new ATOM 0 HB ILE A 101 5.161 0.983 1.696 1.00 0.36 H new ATOM 0 HG12 ILE A 101 2.524 2.444 1.386 1.00 0.33 H new ATOM 0 HG13 ILE A 101 2.728 0.786 1.917 1.00 0.33 H new ATOM 0 HG21 ILE A 101 5.369 3.388 2.183 1.00 0.46 H new ATOM 0 HG22 ILE A 101 6.191 2.949 0.667 1.00 0.46 H new ATOM 0 HG23 ILE A 101 4.611 3.767 0.618 1.00 0.46 H new ATOM 0 HD11 ILE A 101 2.351 2.276 3.820 1.00 0.38 H new ATOM 0 HD12 ILE A 101 3.979 1.561 3.899 1.00 0.38 H new ATOM 0 HD13 ILE A 101 3.772 3.244 3.360 1.00 0.38 H new ATOM 1279 N GLY A 102 2.817 -0.727 -0.320 1.00 0.33 N ATOM 1280 CA GLY A 102 2.523 -2.143 -0.375 1.00 0.39 C ATOM 1281 C GLY A 102 1.040 -2.430 -0.328 1.00 0.35 C ATOM 1282 O GLY A 102 0.222 -1.540 -0.571 1.00 0.35 O ATOM 0 H GLY A 102 2.002 -0.113 -0.334 1.00 0.33 H new ATOM 0 HA2 GLY A 102 2.942 -2.562 -1.290 1.00 0.39 H new ATOM 0 HA3 GLY A 102 3.013 -2.645 0.459 1.00 0.39 H new ATOM 1286 N GLU A 103 0.693 -3.667 -0.018 1.00 0.40 N ATOM 1287 CA GLU A 103 -0.701 -4.071 0.080 1.00 0.42 C ATOM 1288 C GLU A 103 -1.107 -4.176 1.541 1.00 0.37 C ATOM 1289 O GLU A 103 -0.310 -3.903 2.439 1.00 0.39 O ATOM 1290 CB GLU A 103 -0.929 -5.433 -0.572 1.00 0.52 C ATOM 1291 CG GLU A 103 -0.660 -5.500 -2.062 1.00 0.74 C ATOM 1292 CD GLU A 103 -1.848 -5.102 -2.904 1.00 1.22 C ATOM 1293 OE1 GLU A 103 -2.974 -5.536 -2.591 1.00 1.87 O ATOM 1294 OE2 GLU A 103 -1.646 -4.384 -3.901 1.00 1.85 O ATOM 0 H GLU A 103 1.361 -4.414 0.171 1.00 0.40 H new ATOM 0 HA GLU A 103 -1.298 -3.318 -0.434 1.00 0.42 H new ATOM 0 HB2 GLU A 103 -0.294 -6.165 -0.073 1.00 0.52 H new ATOM 0 HB3 GLU A 103 -1.962 -5.733 -0.394 1.00 0.52 H new ATOM 0 HG2 GLU A 103 0.180 -4.849 -2.302 1.00 0.74 H new ATOM 0 HG3 GLU A 103 -0.362 -6.515 -2.325 1.00 0.74 H new ATOM 1301 N LEU A 104 -2.332 -4.604 1.773 1.00 0.40 N ATOM 1302 CA LEU A 104 -2.811 -4.839 3.118 1.00 0.42 C ATOM 1303 C LEU A 104 -2.616 -6.309 3.494 1.00 0.42 C ATOM 1304 O LEU A 104 -2.666 -7.188 2.629 1.00 0.48 O ATOM 1305 CB LEU A 104 -4.280 -4.422 3.221 1.00 0.51 C ATOM 1306 CG LEU A 104 -4.956 -4.611 4.585 1.00 0.82 C ATOM 1307 CD1 LEU A 104 -4.176 -3.906 5.682 1.00 1.71 C ATOM 1308 CD2 LEU A 104 -6.382 -4.083 4.539 1.00 1.33 C ATOM 0 H LEU A 104 -3.016 -4.797 1.042 1.00 0.40 H new ATOM 0 HA LEU A 104 -2.238 -4.237 3.823 1.00 0.42 H new ATOM 0 HB2 LEU A 104 -4.355 -3.370 2.947 1.00 0.51 H new ATOM 0 HB3 LEU A 104 -4.846 -4.985 2.480 1.00 0.51 H new ATOM 0 HG LEU A 104 -4.975 -5.677 4.810 1.00 0.82 H new ATOM 0 HD11 LEU A 104 -4.677 -4.056 6.638 1.00 1.71 H new ATOM 0 HD12 LEU A 104 -3.167 -4.316 5.732 1.00 1.71 H new ATOM 0 HD13 LEU A 104 -4.123 -2.839 5.463 1.00 1.71 H new ATOM 0 HD21 LEU A 104 -6.853 -4.222 5.512 1.00 1.33 H new ATOM 0 HD22 LEU A 104 -6.369 -3.022 4.290 1.00 1.33 H new ATOM 0 HD23 LEU A 104 -6.947 -4.626 3.782 1.00 1.33 H new ATOM 1320 N HIS A 105 -2.358 -6.557 4.774 1.00 0.48 N ATOM 1321 CA HIS A 105 -2.122 -7.905 5.302 1.00 0.53 C ATOM 1322 C HIS A 105 -3.273 -8.853 4.911 1.00 0.60 C ATOM 1323 O HIS A 105 -4.366 -8.397 4.575 1.00 0.64 O ATOM 1324 CB HIS A 105 -1.991 -7.794 6.833 1.00 0.68 C ATOM 1325 CG HIS A 105 -1.321 -8.951 7.529 1.00 1.13 C ATOM 1326 ND1 HIS A 105 -1.996 -9.831 8.346 1.00 1.82 N ATOM 1327 CD2 HIS A 105 -0.023 -9.343 7.556 1.00 1.68 C ATOM 1328 CE1 HIS A 105 -1.146 -10.710 8.843 1.00 2.41 C ATOM 1329 NE2 HIS A 105 0.061 -10.437 8.386 1.00 2.37 N ATOM 0 H HIS A 105 -2.305 -5.826 5.483 1.00 0.48 H new ATOM 0 HA HIS A 105 -1.208 -8.323 4.880 1.00 0.53 H new ATOM 0 HB2 HIS A 105 -1.434 -6.886 7.064 1.00 0.68 H new ATOM 0 HB3 HIS A 105 -2.989 -7.672 7.254 1.00 0.68 H new ATOM 0 HD1 HIS A 105 -2.998 -9.807 8.537 1.00 1.82 H new ATOM 0 HD2 HIS A 105 0.795 -8.881 7.023 1.00 1.68 H new ATOM 0 HE1 HIS A 105 -1.397 -11.519 9.513 1.00 2.41 H new ATOM 1338 N PRO A 106 -3.026 -10.185 4.903 1.00 0.74 N ATOM 1339 CA PRO A 106 -4.070 -11.222 4.704 1.00 1.00 C ATOM 1340 C PRO A 106 -5.313 -11.078 5.599 1.00 1.18 C ATOM 1341 O PRO A 106 -6.196 -11.931 5.605 1.00 1.67 O ATOM 1342 CB PRO A 106 -3.333 -12.506 5.069 1.00 1.17 C ATOM 1343 CG PRO A 106 -1.924 -12.249 4.691 1.00 1.02 C ATOM 1344 CD PRO A 106 -1.682 -10.797 4.989 1.00 0.79 C ATOM 0 HA PRO A 106 -4.471 -11.169 3.692 1.00 1.00 H new ATOM 0 HB2 PRO A 106 -3.424 -12.727 6.133 1.00 1.17 H new ATOM 0 HB3 PRO A 106 -3.738 -13.362 4.530 1.00 1.17 H new ATOM 0 HG2 PRO A 106 -1.244 -12.884 5.259 1.00 1.02 H new ATOM 0 HG3 PRO A 106 -1.756 -12.466 3.636 1.00 1.02 H new ATOM 0 HD2 PRO A 106 -1.244 -10.660 5.978 1.00 0.79 H new ATOM 0 HD3 PRO A 106 -0.994 -10.351 4.271 1.00 0.79 H new ATOM 1352 N ASP A 107 -5.347 -9.993 6.359 1.00 1.16 N ATOM 1353 CA ASP A 107 -6.502 -9.596 7.146 1.00 1.47 C ATOM 1354 C ASP A 107 -7.622 -9.257 6.186 1.00 1.22 C ATOM 1355 O ASP A 107 -8.800 -9.326 6.517 1.00 1.47 O ATOM 1356 CB ASP A 107 -6.178 -8.347 7.981 1.00 1.90 C ATOM 1357 CG ASP A 107 -4.855 -8.431 8.718 1.00 2.76 C ATOM 1358 OD1 ASP A 107 -4.465 -9.540 9.136 1.00 3.27 O ATOM 1359 OD2 ASP A 107 -4.186 -7.382 8.865 1.00 3.31 O ATOM 0 H ASP A 107 -4.557 -9.353 6.446 1.00 1.16 H new ATOM 0 HA ASP A 107 -6.784 -10.407 7.818 1.00 1.47 H new ATOM 0 HB2 ASP A 107 -6.164 -7.476 7.325 1.00 1.90 H new ATOM 0 HB3 ASP A 107 -6.977 -8.188 8.705 1.00 1.90 H new ATOM 1364 N ASP A 108 -7.203 -8.847 4.994 1.00 0.95 N ATOM 1365 CA ASP A 108 -8.112 -8.444 3.937 1.00 1.11 C ATOM 1366 C ASP A 108 -7.817 -9.194 2.642 1.00 1.14 C ATOM 1367 O ASP A 108 -8.669 -9.310 1.771 1.00 1.53 O ATOM 1368 CB ASP A 108 -7.963 -6.943 3.696 1.00 1.39 C ATOM 1369 CG ASP A 108 -8.523 -6.486 2.361 1.00 2.65 C ATOM 1370 OD1 ASP A 108 -9.727 -6.162 2.288 1.00 3.12 O ATOM 1371 OD2 ASP A 108 -7.749 -6.451 1.383 1.00 3.44 O ATOM 0 H ASP A 108 -6.218 -8.786 4.736 1.00 0.95 H new ATOM 0 HA ASP A 108 -9.130 -8.681 4.246 1.00 1.11 H new ATOM 0 HB2 ASP A 108 -8.468 -6.403 4.497 1.00 1.39 H new ATOM 0 HB3 ASP A 108 -6.907 -6.678 3.748 1.00 1.39 H new ATOM 1376 N ARG A 109 -6.607 -9.729 2.523 1.00 0.99 N ATOM 1377 CA ARG A 109 -6.126 -10.210 1.235 1.00 1.18 C ATOM 1378 C ARG A 109 -6.991 -11.353 0.677 1.00 1.48 C ATOM 1379 O ARG A 109 -7.359 -11.313 -0.498 1.00 1.98 O ATOM 1380 CB ARG A 109 -4.637 -10.600 1.308 1.00 1.11 C ATOM 1381 CG ARG A 109 -3.877 -10.293 0.021 1.00 1.45 C ATOM 1382 CD ARG A 109 -4.350 -8.971 -0.560 1.00 1.73 C ATOM 1383 NE ARG A 109 -3.521 -8.483 -1.658 1.00 2.25 N ATOM 1384 CZ ARG A 109 -3.617 -8.907 -2.922 1.00 2.64 C ATOM 1385 NH1 ARG A 109 -4.451 -9.888 -3.251 1.00 2.73 N ATOM 1386 NH2 ARG A 109 -2.890 -8.329 -3.867 1.00 3.35 N ATOM 0 H ARG A 109 -5.948 -9.840 3.294 1.00 0.99 H new ATOM 0 HA ARG A 109 -6.217 -9.384 0.530 1.00 1.18 H new ATOM 0 HB2 ARG A 109 -4.168 -10.069 2.136 1.00 1.11 H new ATOM 0 HB3 ARG A 109 -4.556 -11.665 1.526 1.00 1.11 H new ATOM 0 HG2 ARG A 109 -2.807 -10.249 0.223 1.00 1.45 H new ATOM 0 HG3 ARG A 109 -4.032 -11.094 -0.702 1.00 1.45 H new ATOM 0 HD2 ARG A 109 -5.375 -9.085 -0.913 1.00 1.73 H new ATOM 0 HD3 ARG A 109 -4.367 -8.222 0.231 1.00 1.73 H new ATOM 0 HE ARG A 109 -2.822 -7.771 -1.447 1.00 2.25 H new ATOM 0 HH11 ARG A 109 -5.029 -10.328 -2.535 1.00 2.73 H new ATOM 0 HH12 ARG A 109 -4.513 -10.201 -4.220 1.00 2.73 H new ATOM 0 HH21 ARG A 109 -2.260 -7.563 -3.629 1.00 3.35 H new ATOM 0 HH22 ARG A 109 -2.961 -8.650 -4.833 1.00 3.35 H new