USER MOD reduce.3.24.130724 H: found=0, std=0, add=787, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 787 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 52 SER OG : rot 29:sc= -2.13 USER MOD Set 1.2: A 64 MET CE :methyl -106:sc= -7.71! (180deg=-11!) USER MOD Set 2.1: A 18 THR OG1 : rot -90:sc= 0.626 USER MOD Set 2.2: A 26 LYS NZ :NH3+ -137:sc= 1.25 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot -160:sc= -1.47 USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 MET CE :methyl 154:sc= -0.26 (180deg=-1.15) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -5.85! C(o=-5.9!,f=-20!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 MET CE :methyl -122:sc= -5.57! (180deg=-13.2!) USER MOD Single : A 35 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0224) USER MOD Single : A 39 LYS NZ :NH3+ 168:sc= 0.296 (180deg=0.166) USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.437 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.012 USER MOD Single : A 45 ASN : amide:sc= -1.4 K(o=-1.4,f=-4.6!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 CYS SG : rot -160:sc= -0.0969 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.00283 USER MOD Single : A 54 LYS NZ :NH3+ 155:sc= 0 (180deg=-0.244) USER MOD Single : A 55 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0376) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl 158:sc= -8.53! (180deg=-10.7!) USER MOD Single : A 61 ASN : amide:sc= -0.878 K(o=-0.88,f=-2.9!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0289) USER MOD Single : A 71 ASN : amide:sc= -0.158 K(o=-0.16,f=-1.6!) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= -0.128 K(o=-0.13,f=-4.7!) USER MOD Single : A 84 SER OG : rot 153:sc= -0.406 USER MOD Single : A 86 SER OG : rot 170:sc= 0 USER MOD Single : A 87 THR OG1 : rot 72:sc= 0.618 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0.00102 USER MOD Single : A 91 GLN : amide:sc= -0.305 K(o=-0.31,f=-2.3!) USER MOD Single : A 97 HIS : no HD1:sc= -0.947 K(o=-0.95,f=-2.5) USER MOD Single : A 100 SER OG : rot 140:sc= 0.972 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 78 N LYS A 9 1.988 13.624 -7.682 1.00 0.00 N ATOM 79 CA LYS A 9 1.167 12.462 -7.388 1.00 0.00 C ATOM 80 C LYS A 9 1.992 11.192 -7.602 1.00 0.00 C ATOM 81 O LYS A 9 2.130 10.720 -8.729 1.00 0.00 O ATOM 82 CB LYS A 9 -0.126 12.500 -8.206 1.00 0.00 C ATOM 83 CG LYS A 9 -0.956 13.739 -7.863 1.00 0.00 C ATOM 84 CD LYS A 9 -2.442 13.497 -8.134 1.00 0.00 C ATOM 85 CE LYS A 9 -2.807 13.878 -9.570 1.00 0.00 C ATOM 86 NZ LYS A 9 -3.782 14.991 -9.579 1.00 0.00 N ATOM 0 HA LYS A 9 0.857 12.469 -6.343 1.00 0.00 H new ATOM 0 HB2 LYS A 9 0.112 12.501 -9.270 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -0.711 11.601 -8.011 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -0.812 13.999 -6.814 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -0.609 14.588 -8.452 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -2.681 12.448 -7.961 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -3.042 14.080 -7.436 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -1.909 14.169 -10.115 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -3.227 13.015 -10.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -4.019 15.237 -10.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -4.645 14.700 -9.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -3.368 15.819 -9.105 1.00 0.00 H new ATOM 100 N PRO A 10 2.534 10.662 -6.473 1.00 0.00 N ATOM 101 CA PRO A 10 3.342 9.456 -6.525 1.00 0.00 C ATOM 102 C PRO A 10 2.467 8.217 -6.729 1.00 0.00 C ATOM 103 O PRO A 10 2.882 7.259 -7.379 1.00 0.00 O ATOM 104 CB PRO A 10 4.104 9.435 -5.210 1.00 0.00 C ATOM 105 CG PRO A 10 3.353 10.372 -4.279 1.00 0.00 C ATOM 106 CD PRO A 10 2.391 11.194 -5.121 1.00 0.00 C ATOM 0 HA PRO A 10 4.031 9.448 -7.369 1.00 0.00 H new ATOM 0 HB2 PRO A 10 4.146 8.426 -4.799 1.00 0.00 H new ATOM 0 HB3 PRO A 10 5.133 9.765 -5.350 1.00 0.00 H new ATOM 0 HG2 PRO A 10 2.810 9.805 -3.523 1.00 0.00 H new ATOM 0 HG3 PRO A 10 4.049 11.023 -3.750 1.00 0.00 H new ATOM 0 HD2 PRO A 10 1.366 11.094 -4.763 1.00 0.00 H new ATOM 0 HD3 PRO A 10 2.640 12.255 -5.084 1.00 0.00 H new ATOM 114 N LEU A 11 1.271 8.277 -6.161 1.00 0.00 N ATOM 115 CA LEU A 11 0.333 7.173 -6.272 1.00 0.00 C ATOM 116 C LEU A 11 -0.634 7.445 -7.425 1.00 0.00 C ATOM 117 O LEU A 11 -1.530 6.644 -7.691 1.00 0.00 O ATOM 118 CB LEU A 11 -0.362 6.924 -4.932 1.00 0.00 C ATOM 119 CG LEU A 11 0.532 6.423 -3.795 1.00 0.00 C ATOM 120 CD1 LEU A 11 1.667 5.549 -4.335 1.00 0.00 C ATOM 121 CD2 LEU A 11 1.056 7.589 -2.956 1.00 0.00 C ATOM 0 H LEU A 11 0.930 9.073 -5.622 1.00 0.00 H new ATOM 0 HA LEU A 11 0.859 6.248 -6.509 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -0.836 7.852 -4.613 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -1.159 6.197 -5.088 1.00 0.00 H new ATOM 0 HG LEU A 11 -0.070 5.798 -3.136 1.00 0.00 H new ATOM 0 HD11 LEU A 11 2.287 5.206 -3.507 1.00 0.00 H new ATOM 0 HD12 LEU A 11 1.247 4.688 -4.855 1.00 0.00 H new ATOM 0 HD13 LEU A 11 2.276 6.130 -5.028 1.00 0.00 H new ATOM 0 HD21 LEU A 11 1.688 7.206 -2.155 1.00 0.00 H new ATOM 0 HD22 LEU A 11 1.638 8.260 -3.588 1.00 0.00 H new ATOM 0 HD23 LEU A 11 0.216 8.134 -2.526 1.00 0.00 H new ATOM 133 N SER A 12 -0.421 8.577 -8.080 1.00 0.00 N ATOM 134 CA SER A 12 -1.263 8.964 -9.199 1.00 0.00 C ATOM 135 C SER A 12 -1.472 7.771 -10.135 1.00 0.00 C ATOM 136 O SER A 12 -0.595 7.442 -10.932 1.00 0.00 O ATOM 137 CB SER A 12 -0.654 10.140 -9.966 1.00 0.00 C ATOM 138 OG SER A 12 -1.593 11.193 -10.162 1.00 0.00 O ATOM 0 H SER A 12 0.323 9.239 -7.857 1.00 0.00 H new ATOM 0 HA SER A 12 -2.228 9.282 -8.806 1.00 0.00 H new ATOM 0 HB2 SER A 12 0.209 10.521 -9.420 1.00 0.00 H new ATOM 0 HB3 SER A 12 -0.291 9.793 -10.934 1.00 0.00 H new ATOM 0 HG SER A 12 -1.294 11.765 -10.900 1.00 0.00 H new ATOM 144 N ASN A 13 -2.638 7.156 -10.006 1.00 0.00 N ATOM 145 CA ASN A 13 -2.973 6.007 -10.830 1.00 0.00 C ATOM 146 C ASN A 13 -2.366 4.747 -10.211 1.00 0.00 C ATOM 147 O ASN A 13 -1.656 4.001 -10.884 1.00 0.00 O ATOM 148 CB ASN A 13 -2.408 6.159 -12.243 1.00 0.00 C ATOM 149 CG ASN A 13 -3.303 5.463 -13.270 1.00 0.00 C ATOM 150 OD1 ASN A 13 -3.121 4.305 -13.607 1.00 0.00 O ATOM 151 ND2 ASN A 13 -4.278 6.232 -13.747 1.00 0.00 N ATOM 0 H ASN A 13 -3.363 7.432 -9.343 1.00 0.00 H new ATOM 0 HA ASN A 13 -4.059 5.935 -10.882 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -2.319 7.217 -12.491 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -1.404 5.736 -12.284 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -4.929 5.860 -14.438 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -4.374 7.194 -13.422 1.00 0.00 H new ATOM 158 N MET A 14 -2.666 4.548 -8.936 1.00 0.00 N ATOM 159 CA MET A 14 -2.159 3.391 -8.219 1.00 0.00 C ATOM 160 C MET A 14 -3.083 3.016 -7.059 1.00 0.00 C ATOM 161 O MET A 14 -3.376 3.846 -6.200 1.00 0.00 O ATOM 162 CB MET A 14 -0.760 3.698 -7.679 1.00 0.00 C ATOM 163 CG MET A 14 0.275 3.694 -8.805 1.00 0.00 C ATOM 164 SD MET A 14 1.901 4.014 -8.140 1.00 0.00 S ATOM 165 CE MET A 14 2.115 2.558 -7.130 1.00 0.00 C ATOM 0 H MET A 14 -3.254 5.169 -8.381 1.00 0.00 H new ATOM 0 HA MET A 14 -2.115 2.549 -8.910 1.00 0.00 H new ATOM 0 HB2 MET A 14 -0.762 4.670 -7.185 1.00 0.00 H new ATOM 0 HB3 MET A 14 -0.487 2.959 -6.926 1.00 0.00 H new ATOM 0 HG2 MET A 14 0.265 2.731 -9.316 1.00 0.00 H new ATOM 0 HG3 MET A 14 0.021 4.451 -9.547 1.00 0.00 H new ATOM 0 HE1 MET A 14 3.178 2.347 -7.017 1.00 0.00 H new ATOM 0 HE2 MET A 14 1.672 2.728 -6.149 1.00 0.00 H new ATOM 0 HE3 MET A 14 1.625 1.709 -7.607 1.00 0.00 H new ATOM 175 N LYS A 15 -3.518 1.764 -7.071 1.00 0.00 N ATOM 176 CA LYS A 15 -4.403 1.269 -6.031 1.00 0.00 C ATOM 177 C LYS A 15 -3.569 0.807 -4.835 1.00 0.00 C ATOM 178 O LYS A 15 -2.700 -0.053 -4.974 1.00 0.00 O ATOM 179 CB LYS A 15 -5.331 0.188 -6.588 1.00 0.00 C ATOM 180 CG LYS A 15 -6.484 0.809 -7.379 1.00 0.00 C ATOM 181 CD LYS A 15 -7.270 -0.263 -8.136 1.00 0.00 C ATOM 182 CE LYS A 15 -6.539 -0.680 -9.414 1.00 0.00 C ATOM 183 NZ LYS A 15 -7.400 -1.550 -10.244 1.00 0.00 N ATOM 0 H LYS A 15 -3.274 1.078 -7.785 1.00 0.00 H new ATOM 0 HA LYS A 15 -5.056 2.066 -5.675 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -4.765 -0.486 -7.232 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -5.729 -0.412 -5.769 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -7.150 1.342 -6.700 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.093 1.543 -8.083 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -7.415 -1.133 -7.495 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -8.261 0.117 -8.387 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -6.253 0.206 -9.981 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -5.619 -1.206 -9.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -6.888 -1.823 -11.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -7.652 -2.404 -9.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -8.266 -1.036 -10.503 1.00 0.00 H new ATOM 197 N ILE A 16 -3.862 1.399 -3.686 1.00 0.00 N ATOM 198 CA ILE A 16 -3.149 1.059 -2.466 1.00 0.00 C ATOM 199 C ILE A 16 -4.059 0.221 -1.566 1.00 0.00 C ATOM 200 O ILE A 16 -5.233 0.545 -1.389 1.00 0.00 O ATOM 201 CB ILE A 16 -2.610 2.321 -1.791 1.00 0.00 C ATOM 202 CG1 ILE A 16 -1.546 2.996 -2.659 1.00 0.00 C ATOM 203 CG2 ILE A 16 -2.091 2.012 -0.385 1.00 0.00 C ATOM 204 CD1 ILE A 16 -2.170 3.608 -3.915 1.00 0.00 C ATOM 0 H ILE A 16 -4.583 2.112 -3.574 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.275 0.449 -2.693 1.00 0.00 H new ATOM 0 HB ILE A 16 -3.433 3.028 -1.683 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -1.042 3.772 -2.084 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -0.788 2.267 -2.944 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -1.713 2.926 0.073 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -2.902 1.611 0.222 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -1.287 1.279 -0.447 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -1.392 4.081 -4.514 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -2.653 2.825 -4.500 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.910 4.354 -3.627 1.00 0.00 H new ATOM 216 N LEU A 17 -3.484 -0.840 -1.020 1.00 0.00 N ATOM 217 CA LEU A 17 -4.229 -1.727 -0.142 1.00 0.00 C ATOM 218 C LEU A 17 -3.743 -1.540 1.296 1.00 0.00 C ATOM 219 O LEU A 17 -2.661 -1.000 1.525 1.00 0.00 O ATOM 220 CB LEU A 17 -4.140 -3.172 -0.639 1.00 0.00 C ATOM 221 CG LEU A 17 -5.284 -4.097 -0.220 1.00 0.00 C ATOM 222 CD1 LEU A 17 -5.015 -4.714 1.154 1.00 0.00 C ATOM 223 CD2 LEU A 17 -6.626 -3.364 -0.266 1.00 0.00 C ATOM 0 H LEU A 17 -2.511 -1.106 -1.168 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.289 -1.475 -0.156 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -4.090 -3.158 -1.728 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.203 -3.601 -0.283 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.340 -4.917 -0.936 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -5.843 -5.367 1.428 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -4.092 -5.293 1.118 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -4.917 -3.921 1.896 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -7.423 -4.044 0.036 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -6.599 -2.512 0.413 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -6.814 -3.013 -1.281 1.00 0.00 H new ATOM 235 N THR A 18 -4.565 -1.997 2.229 1.00 0.00 N ATOM 236 CA THR A 18 -4.232 -1.887 3.639 1.00 0.00 C ATOM 237 C THR A 18 -4.608 -3.174 4.378 1.00 0.00 C ATOM 238 O THR A 18 -5.573 -3.844 4.014 1.00 0.00 O ATOM 239 CB THR A 18 -4.929 -0.643 4.194 1.00 0.00 C ATOM 240 OG1 THR A 18 -6.310 -0.869 3.925 1.00 0.00 O ATOM 241 CG2 THR A 18 -4.596 0.619 3.396 1.00 0.00 C ATOM 0 H THR A 18 -5.461 -2.444 2.036 1.00 0.00 H new ATOM 0 HA THR A 18 -3.158 -1.768 3.783 1.00 0.00 H new ATOM 0 HB THR A 18 -4.642 -0.501 5.236 1.00 0.00 H new ATOM 0 HG1 THR A 18 -6.536 -0.503 3.045 1.00 0.00 H new ATOM 0 HG21 THR A 18 -5.116 1.472 3.831 1.00 0.00 H new ATOM 0 HG22 THR A 18 -3.521 0.795 3.426 1.00 0.00 H new ATOM 0 HG23 THR A 18 -4.914 0.490 2.361 1.00 0.00 H new ATOM 249 N LEU A 19 -3.825 -3.480 5.402 1.00 0.00 N ATOM 250 CA LEU A 19 -4.063 -4.674 6.195 1.00 0.00 C ATOM 251 C LEU A 19 -3.813 -4.359 7.671 1.00 0.00 C ATOM 252 O LEU A 19 -3.009 -3.486 7.996 1.00 0.00 O ATOM 253 CB LEU A 19 -3.230 -5.843 5.666 1.00 0.00 C ATOM 254 CG LEU A 19 -4.012 -7.095 5.260 1.00 0.00 C ATOM 255 CD1 LEU A 19 -3.181 -7.985 4.335 1.00 0.00 C ATOM 256 CD2 LEU A 19 -4.508 -7.854 6.492 1.00 0.00 C ATOM 0 H LEU A 19 -3.025 -2.922 5.701 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.103 -4.988 6.108 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.663 -5.497 4.802 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.506 -6.123 6.431 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.892 -6.781 4.699 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.760 -8.867 4.062 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.919 -7.430 3.434 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.270 -8.294 4.848 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.060 -8.739 6.176 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.656 -8.156 7.101 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -5.162 -7.208 7.078 1.00 0.00 H new ATOM 268 N GLY A 20 -4.516 -5.088 8.526 1.00 0.00 N ATOM 269 CA GLY A 20 -4.380 -4.897 9.960 1.00 0.00 C ATOM 270 C GLY A 20 -4.913 -3.527 10.384 1.00 0.00 C ATOM 271 O GLY A 20 -5.730 -2.930 9.683 1.00 0.00 O ATOM 0 H GLY A 20 -5.181 -5.812 8.253 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -4.922 -5.681 10.488 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -3.332 -4.987 10.245 1.00 0.00 H new ATOM 275 N LYS A 21 -4.428 -3.067 11.528 1.00 0.00 N ATOM 276 CA LYS A 21 -4.845 -1.778 12.053 1.00 0.00 C ATOM 277 C LYS A 21 -3.636 -0.842 12.117 1.00 0.00 C ATOM 278 O LYS A 21 -2.659 -1.131 12.805 1.00 0.00 O ATOM 279 CB LYS A 21 -5.559 -1.952 13.396 1.00 0.00 C ATOM 280 CG LYS A 21 -6.071 -0.610 13.922 1.00 0.00 C ATOM 281 CD LYS A 21 -5.022 0.069 14.805 1.00 0.00 C ATOM 282 CE LYS A 21 -5.677 1.054 15.776 1.00 0.00 C ATOM 283 NZ LYS A 21 -5.426 0.644 17.176 1.00 0.00 N ATOM 0 H LYS A 21 -3.750 -3.564 12.106 1.00 0.00 H new ATOM 0 HA LYS A 21 -5.573 -1.314 11.388 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -6.393 -2.644 13.281 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -4.875 -2.394 14.121 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -6.323 0.041 13.085 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -6.987 -0.764 14.492 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -4.469 -0.685 15.365 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -4.300 0.595 14.180 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -5.283 2.056 15.608 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -6.750 1.098 15.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -5.877 1.322 17.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -5.823 -0.304 17.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -4.401 0.625 17.354 1.00 0.00 H new ATOM 297 N LEU A 22 -3.743 0.260 11.389 1.00 0.00 N ATOM 298 CA LEU A 22 -2.671 1.240 11.354 1.00 0.00 C ATOM 299 C LEU A 22 -2.995 2.379 12.322 1.00 0.00 C ATOM 300 O LEU A 22 -4.088 2.429 12.884 1.00 0.00 O ATOM 301 CB LEU A 22 -2.417 1.705 9.919 1.00 0.00 C ATOM 302 CG LEU A 22 -2.338 0.603 8.860 1.00 0.00 C ATOM 303 CD1 LEU A 22 -2.946 1.069 7.536 1.00 0.00 C ATOM 304 CD2 LEU A 22 -0.899 0.110 8.688 1.00 0.00 C ATOM 0 H LEU A 22 -4.555 0.496 10.819 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.735 0.793 11.690 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.211 2.396 9.636 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.483 2.267 9.900 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.930 -0.245 9.205 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.877 0.267 6.801 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.993 1.332 7.689 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.402 1.941 7.173 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.871 -0.673 7.930 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.265 0.940 8.377 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.535 -0.289 9.635 1.00 0.00 H new ATOM 316 N SER A 23 -2.025 3.267 12.486 1.00 0.00 N ATOM 317 CA SER A 23 -2.194 4.404 13.376 1.00 0.00 C ATOM 318 C SER A 23 -3.377 5.258 12.915 1.00 0.00 C ATOM 319 O SER A 23 -4.206 5.665 13.727 1.00 0.00 O ATOM 320 CB SER A 23 -0.921 5.249 13.437 1.00 0.00 C ATOM 321 OG SER A 23 0.040 4.703 14.337 1.00 0.00 O ATOM 0 H SER A 23 -1.120 3.222 12.018 1.00 0.00 H new ATOM 0 HA SER A 23 -2.396 4.027 14.379 1.00 0.00 H new ATOM 0 HB2 SER A 23 -0.485 5.320 12.441 1.00 0.00 H new ATOM 0 HB3 SER A 23 -1.173 6.263 13.748 1.00 0.00 H new ATOM 0 HG SER A 23 0.839 5.270 14.346 1.00 0.00 H new ATOM 327 N ARG A 24 -3.417 5.504 11.614 1.00 0.00 N ATOM 328 CA ARG A 24 -4.484 6.302 11.036 1.00 0.00 C ATOM 329 C ARG A 24 -5.706 5.427 10.749 1.00 0.00 C ATOM 330 O ARG A 24 -5.695 4.229 11.027 1.00 0.00 O ATOM 331 CB ARG A 24 -4.029 6.973 9.738 1.00 0.00 C ATOM 332 CG ARG A 24 -2.955 8.027 10.013 1.00 0.00 C ATOM 333 CD ARG A 24 -3.108 9.224 9.072 1.00 0.00 C ATOM 334 NE ARG A 24 -1.971 10.155 9.248 1.00 0.00 N ATOM 335 CZ ARG A 24 -1.766 11.241 8.491 1.00 0.00 C ATOM 336 NH1 ARG A 24 -2.620 11.541 7.503 1.00 0.00 N ATOM 337 NH2 ARG A 24 -0.707 12.029 8.723 1.00 0.00 N ATOM 0 H ARG A 24 -2.727 5.164 10.944 1.00 0.00 H new ATOM 0 HA ARG A 24 -4.748 7.075 11.758 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -3.638 6.221 9.053 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -4.883 7.439 9.246 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -3.026 8.362 11.048 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -1.966 7.585 9.888 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -3.151 8.881 8.038 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -4.046 9.740 9.276 1.00 0.00 H new ATOM 0 HE ARG A 24 -1.302 9.957 9.992 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -3.427 10.942 7.327 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -2.463 12.368 6.927 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -0.057 11.802 9.476 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -0.551 12.856 8.147 1.00 0.00 H new ATOM 351 N ASN A 25 -6.730 6.060 10.196 1.00 0.00 N ATOM 352 CA ASN A 25 -7.957 5.354 9.868 1.00 0.00 C ATOM 353 C ASN A 25 -8.043 5.166 8.352 1.00 0.00 C ATOM 354 O ASN A 25 -7.605 6.027 7.590 1.00 0.00 O ATOM 355 CB ASN A 25 -9.186 6.148 10.316 1.00 0.00 C ATOM 356 CG ASN A 25 -8.975 7.649 10.108 1.00 0.00 C ATOM 357 OD1 ASN A 25 -9.039 8.163 9.004 1.00 0.00 O ATOM 358 ND2 ASN A 25 -8.722 8.320 11.228 1.00 0.00 N ATOM 0 H ASN A 25 -6.735 7.054 9.967 1.00 0.00 H new ATOM 0 HA ASN A 25 -7.941 4.393 10.383 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -10.060 5.819 9.755 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -9.389 5.948 11.368 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -8.567 9.328 11.195 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -8.683 7.827 12.120 1.00 0.00 H new ATOM 365 N LYS A 26 -8.611 4.035 7.959 1.00 0.00 N ATOM 366 CA LYS A 26 -8.759 3.724 6.548 1.00 0.00 C ATOM 367 C LYS A 26 -9.152 4.993 5.788 1.00 0.00 C ATOM 368 O LYS A 26 -8.737 5.191 4.647 1.00 0.00 O ATOM 369 CB LYS A 26 -9.739 2.564 6.355 1.00 0.00 C ATOM 370 CG LYS A 26 -9.621 1.974 4.949 1.00 0.00 C ATOM 371 CD LYS A 26 -8.811 0.676 4.964 1.00 0.00 C ATOM 372 CE LYS A 26 -9.673 -0.514 4.539 1.00 0.00 C ATOM 373 NZ LYS A 26 -8.869 -1.756 4.519 1.00 0.00 N ATOM 0 H LYS A 26 -8.974 3.323 8.593 1.00 0.00 H new ATOM 0 HA LYS A 26 -7.811 3.384 6.132 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -9.541 1.789 7.096 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -10.758 2.913 6.522 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -10.616 1.781 4.547 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -9.144 2.697 4.287 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -7.957 0.769 4.293 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -8.414 0.503 5.964 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -10.511 -0.627 5.227 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -10.094 -0.331 3.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -9.099 -2.304 3.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -7.857 -1.515 4.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -9.085 -2.323 5.364 1.00 0.00 H new ATOM 387 N ASP A 27 -9.947 5.819 6.452 1.00 0.00 N ATOM 388 CA ASP A 27 -10.399 7.063 5.854 1.00 0.00 C ATOM 389 C ASP A 27 -9.189 7.949 5.551 1.00 0.00 C ATOM 390 O ASP A 27 -8.923 8.269 4.393 1.00 0.00 O ATOM 391 CB ASP A 27 -11.319 7.830 6.806 1.00 0.00 C ATOM 392 CG ASP A 27 -12.466 7.008 7.398 1.00 0.00 C ATOM 393 OD1 ASP A 27 -12.838 6.005 6.752 1.00 0.00 O ATOM 394 OD2 ASP A 27 -12.945 7.402 8.484 1.00 0.00 O ATOM 0 H ASP A 27 -10.289 5.651 7.398 1.00 0.00 H new ATOM 0 HA ASP A 27 -10.945 6.819 4.943 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -10.719 8.230 7.623 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -11.740 8.682 6.273 1.00 0.00 H new ATOM 399 N GLU A 28 -8.487 8.320 6.612 1.00 0.00 N ATOM 400 CA GLU A 28 -7.312 9.162 6.474 1.00 0.00 C ATOM 401 C GLU A 28 -6.419 8.647 5.344 1.00 0.00 C ATOM 402 O GLU A 28 -6.079 9.392 4.426 1.00 0.00 O ATOM 403 CB GLU A 28 -6.537 9.243 7.791 1.00 0.00 C ATOM 404 CG GLU A 28 -7.299 10.074 8.825 1.00 0.00 C ATOM 405 CD GLU A 28 -6.709 11.481 8.941 1.00 0.00 C ATOM 406 OE1 GLU A 28 -6.466 12.084 7.873 1.00 0.00 O ATOM 407 OE2 GLU A 28 -6.514 11.921 10.094 1.00 0.00 O ATOM 0 H GLU A 28 -8.710 8.053 7.571 1.00 0.00 H new ATOM 0 HA GLU A 28 -7.640 10.170 6.221 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -6.367 8.239 8.180 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.557 9.686 7.614 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -8.350 10.139 8.542 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -7.260 9.578 9.795 1.00 0.00 H new ATOM 414 N VAL A 29 -6.063 7.374 5.447 1.00 0.00 N ATOM 415 CA VAL A 29 -5.216 6.750 4.445 1.00 0.00 C ATOM 416 C VAL A 29 -5.942 6.751 3.098 1.00 0.00 C ATOM 417 O VAL A 29 -5.332 7.006 2.060 1.00 0.00 O ATOM 418 CB VAL A 29 -4.809 5.349 4.904 1.00 0.00 C ATOM 419 CG1 VAL A 29 -3.935 4.660 3.853 1.00 0.00 C ATOM 420 CG2 VAL A 29 -4.099 5.400 6.258 1.00 0.00 C ATOM 0 H VAL A 29 -6.346 6.758 6.209 1.00 0.00 H new ATOM 0 HA VAL A 29 -4.294 7.316 4.317 1.00 0.00 H new ATOM 0 HB VAL A 29 -5.718 4.759 5.024 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.659 3.666 4.204 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -4.489 4.574 2.918 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -3.033 5.249 3.687 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.820 4.391 6.561 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -3.203 6.015 6.176 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -4.767 5.831 7.003 1.00 0.00 H new ATOM 430 N LYS A 30 -7.234 6.462 3.158 1.00 0.00 N ATOM 431 CA LYS A 30 -8.049 6.426 1.956 1.00 0.00 C ATOM 432 C LYS A 30 -7.985 7.788 1.260 1.00 0.00 C ATOM 433 O LYS A 30 -8.060 7.867 0.035 1.00 0.00 O ATOM 434 CB LYS A 30 -9.472 5.971 2.286 1.00 0.00 C ATOM 435 CG LYS A 30 -10.400 6.154 1.084 1.00 0.00 C ATOM 436 CD LYS A 30 -11.868 6.103 1.511 1.00 0.00 C ATOM 437 CE LYS A 30 -12.681 5.208 0.574 1.00 0.00 C ATOM 438 NZ LYS A 30 -14.130 5.431 0.772 1.00 0.00 N ATOM 0 H LYS A 30 -7.736 6.251 4.020 1.00 0.00 H new ATOM 0 HA LYS A 30 -7.658 5.690 1.254 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -9.462 4.923 2.586 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -9.852 6.541 3.133 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -10.191 7.109 0.601 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -10.205 5.375 0.347 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -11.941 5.728 2.532 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -12.286 7.110 1.511 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -12.413 5.417 -0.462 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -12.439 4.162 0.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -14.667 4.816 0.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -14.384 5.209 1.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -14.359 6.426 0.571 1.00 0.00 H new ATOM 452 N ALA A 31 -7.848 8.825 2.073 1.00 0.00 N ATOM 453 CA ALA A 31 -7.773 10.179 1.551 1.00 0.00 C ATOM 454 C ALA A 31 -6.347 10.459 1.072 1.00 0.00 C ATOM 455 O ALA A 31 -6.148 11.014 -0.008 1.00 0.00 O ATOM 456 CB ALA A 31 -8.231 11.167 2.626 1.00 0.00 C ATOM 0 H ALA A 31 -7.787 8.755 3.089 1.00 0.00 H new ATOM 0 HA ALA A 31 -8.437 10.297 0.695 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.175 12.183 2.234 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -9.259 10.944 2.911 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -7.586 11.079 3.500 1.00 0.00 H new ATOM 462 N MET A 32 -5.391 10.061 1.898 1.00 0.00 N ATOM 463 CA MET A 32 -3.989 10.262 1.572 1.00 0.00 C ATOM 464 C MET A 32 -3.616 9.531 0.281 1.00 0.00 C ATOM 465 O MET A 32 -2.810 10.025 -0.506 1.00 0.00 O ATOM 466 CB MET A 32 -3.119 9.746 2.721 1.00 0.00 C ATOM 467 CG MET A 32 -2.355 10.893 3.387 1.00 0.00 C ATOM 468 SD MET A 32 -1.141 11.554 2.259 1.00 0.00 S ATOM 469 CE MET A 32 0.354 10.944 3.019 1.00 0.00 C ATOM 0 H MET A 32 -5.559 9.600 2.792 1.00 0.00 H new ATOM 0 HA MET A 32 -3.818 11.329 1.425 1.00 0.00 H new ATOM 0 HB2 MET A 32 -3.745 9.244 3.459 1.00 0.00 H new ATOM 0 HB3 MET A 32 -2.414 9.005 2.344 1.00 0.00 H new ATOM 0 HG2 MET A 32 -3.050 11.678 3.687 1.00 0.00 H new ATOM 0 HG3 MET A 32 -1.865 10.537 4.293 1.00 0.00 H new ATOM 0 HE1 MET A 32 1.006 11.782 3.264 1.00 0.00 H new ATOM 0 HE2 MET A 32 0.103 10.401 3.930 1.00 0.00 H new ATOM 0 HE3 MET A 32 0.867 10.275 2.328 1.00 0.00 H new ATOM 479 N ILE A 33 -4.220 8.365 0.103 1.00 0.00 N ATOM 480 CA ILE A 33 -3.962 7.561 -1.079 1.00 0.00 C ATOM 481 C ILE A 33 -4.665 8.191 -2.283 1.00 0.00 C ATOM 482 O ILE A 33 -4.246 7.996 -3.423 1.00 0.00 O ATOM 483 CB ILE A 33 -4.354 6.103 -0.832 1.00 0.00 C ATOM 484 CG1 ILE A 33 -3.572 5.517 0.345 1.00 0.00 C ATOM 485 CG2 ILE A 33 -4.190 5.268 -2.103 1.00 0.00 C ATOM 486 CD1 ILE A 33 -4.341 4.365 0.995 1.00 0.00 C ATOM 0 H ILE A 33 -4.888 7.958 0.758 1.00 0.00 H new ATOM 0 HA ILE A 33 -2.896 7.546 -1.304 1.00 0.00 H new ATOM 0 HB ILE A 33 -5.410 6.074 -0.563 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -2.601 5.162 0.000 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -3.383 6.295 1.084 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -4.475 4.236 -1.900 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -4.828 5.673 -2.889 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -3.150 5.300 -2.427 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -3.763 3.966 1.829 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -5.301 4.729 1.360 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -4.507 3.578 0.260 1.00 0.00 H new ATOM 498 N GLU A 34 -5.721 8.935 -1.989 1.00 0.00 N ATOM 499 CA GLU A 34 -6.486 9.595 -3.033 1.00 0.00 C ATOM 500 C GLU A 34 -5.845 10.937 -3.392 1.00 0.00 C ATOM 501 O GLU A 34 -5.523 11.184 -4.553 1.00 0.00 O ATOM 502 CB GLU A 34 -7.945 9.780 -2.610 1.00 0.00 C ATOM 503 CG GLU A 34 -8.777 8.543 -2.956 1.00 0.00 C ATOM 504 CD GLU A 34 -10.221 8.928 -3.283 1.00 0.00 C ATOM 505 OE1 GLU A 34 -10.408 9.604 -4.318 1.00 0.00 O ATOM 506 OE2 GLU A 34 -11.106 8.537 -2.491 1.00 0.00 O ATOM 0 H GLU A 34 -6.065 9.095 -1.042 1.00 0.00 H new ATOM 0 HA GLU A 34 -6.477 8.961 -3.920 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -7.995 9.968 -1.538 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -8.363 10.655 -3.107 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -8.332 8.028 -3.807 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -8.764 7.845 -2.119 1.00 0.00 H new ATOM 513 N LYS A 35 -5.680 11.769 -2.375 1.00 0.00 N ATOM 514 CA LYS A 35 -5.083 13.080 -2.569 1.00 0.00 C ATOM 515 C LYS A 35 -3.760 12.926 -3.322 1.00 0.00 C ATOM 516 O LYS A 35 -3.497 13.657 -4.276 1.00 0.00 O ATOM 517 CB LYS A 35 -4.949 13.811 -1.231 1.00 0.00 C ATOM 518 CG LYS A 35 -3.828 14.851 -1.285 1.00 0.00 C ATOM 519 CD LYS A 35 -2.534 14.294 -0.687 1.00 0.00 C ATOM 520 CE LYS A 35 -2.468 14.560 0.818 1.00 0.00 C ATOM 521 NZ LYS A 35 -2.084 15.965 1.079 1.00 0.00 N ATOM 0 H LYS A 35 -5.949 11.561 -1.413 1.00 0.00 H new ATOM 0 HA LYS A 35 -5.729 13.706 -3.184 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -5.891 14.299 -0.983 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -4.745 13.091 -0.438 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.655 15.152 -2.318 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -4.130 15.745 -0.739 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -2.475 13.222 -0.874 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -1.675 14.751 -1.179 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -3.436 14.351 1.273 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -1.746 13.887 1.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -1.879 16.086 2.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -1.238 16.203 0.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -2.865 16.595 0.806 1.00 0.00 H new ATOM 535 N LEU A 36 -2.963 11.972 -2.864 1.00 0.00 N ATOM 536 CA LEU A 36 -1.674 11.714 -3.483 1.00 0.00 C ATOM 537 C LEU A 36 -1.871 11.467 -4.980 1.00 0.00 C ATOM 538 O LEU A 36 -1.095 11.954 -5.800 1.00 0.00 O ATOM 539 CB LEU A 36 -0.952 10.573 -2.762 1.00 0.00 C ATOM 540 CG LEU A 36 -0.363 10.913 -1.391 1.00 0.00 C ATOM 541 CD1 LEU A 36 -0.168 9.649 -0.550 1.00 0.00 C ATOM 542 CD2 LEU A 36 0.934 11.712 -1.535 1.00 0.00 C ATOM 0 H LEU A 36 -3.185 11.369 -2.072 1.00 0.00 H new ATOM 0 HA LEU A 36 -1.025 12.584 -3.386 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.652 9.746 -2.640 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.146 10.216 -3.403 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.074 11.546 -0.860 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.252 9.918 0.419 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.130 9.157 -0.405 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.513 8.971 -1.065 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.332 11.941 -0.546 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.663 11.124 -2.093 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.732 12.641 -2.069 1.00 0.00 H new ATOM 554 N GLY A 37 -2.914 10.712 -5.290 1.00 0.00 N ATOM 555 CA GLY A 37 -3.224 10.395 -6.674 1.00 0.00 C ATOM 556 C GLY A 37 -3.636 8.929 -6.822 1.00 0.00 C ATOM 557 O GLY A 37 -4.124 8.521 -7.875 1.00 0.00 O ATOM 0 H GLY A 37 -3.556 10.310 -4.606 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -4.029 11.040 -7.027 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -2.355 10.597 -7.300 1.00 0.00 H new ATOM 561 N GLY A 38 -3.424 8.177 -5.752 1.00 0.00 N ATOM 562 CA GLY A 38 -3.767 6.765 -5.749 1.00 0.00 C ATOM 563 C GLY A 38 -5.239 6.560 -5.386 1.00 0.00 C ATOM 564 O GLY A 38 -6.045 7.482 -5.500 1.00 0.00 O ATOM 0 H GLY A 38 -3.019 8.519 -4.881 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -3.568 6.336 -6.731 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -3.136 6.235 -5.036 1.00 0.00 H new ATOM 568 N LYS A 39 -5.545 5.344 -4.957 1.00 0.00 N ATOM 569 CA LYS A 39 -6.906 5.006 -4.576 1.00 0.00 C ATOM 570 C LYS A 39 -6.888 3.761 -3.687 1.00 0.00 C ATOM 571 O LYS A 39 -6.284 2.749 -4.042 1.00 0.00 O ATOM 572 CB LYS A 39 -7.790 4.862 -5.817 1.00 0.00 C ATOM 573 CG LYS A 39 -8.654 6.108 -6.022 1.00 0.00 C ATOM 574 CD LYS A 39 -10.053 5.906 -5.435 1.00 0.00 C ATOM 575 CE LYS A 39 -11.133 6.300 -6.445 1.00 0.00 C ATOM 576 NZ LYS A 39 -11.929 7.439 -5.935 1.00 0.00 N ATOM 0 H LYS A 39 -4.874 4.581 -4.865 1.00 0.00 H new ATOM 0 HA LYS A 39 -7.348 5.811 -3.989 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -7.166 4.699 -6.696 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -8.429 3.985 -5.713 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -8.178 6.967 -5.550 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -8.731 6.331 -7.086 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -10.183 4.863 -5.146 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -10.161 6.503 -4.530 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -10.670 6.568 -7.395 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -11.787 5.449 -6.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -12.516 7.824 -6.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -12.542 7.115 -5.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -11.289 8.180 -5.583 1.00 0.00 H new ATOM 590 N LEU A 40 -7.557 3.875 -2.549 1.00 0.00 N ATOM 591 CA LEU A 40 -7.625 2.771 -1.607 1.00 0.00 C ATOM 592 C LEU A 40 -8.584 1.707 -2.144 1.00 0.00 C ATOM 593 O LEU A 40 -9.650 2.032 -2.665 1.00 0.00 O ATOM 594 CB LEU A 40 -7.991 3.280 -0.211 1.00 0.00 C ATOM 595 CG LEU A 40 -7.798 2.287 0.937 1.00 0.00 C ATOM 596 CD1 LEU A 40 -6.875 2.864 2.012 1.00 0.00 C ATOM 597 CD2 LEU A 40 -9.145 1.848 1.514 1.00 0.00 C ATOM 0 H LEU A 40 -8.057 4.715 -2.258 1.00 0.00 H new ATOM 0 HA LEU A 40 -6.649 2.298 -1.503 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -7.394 4.168 -0.002 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.035 3.593 -0.222 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.312 1.396 0.540 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.755 2.138 2.816 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -5.901 3.086 1.575 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.310 3.780 2.412 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -8.979 1.142 2.328 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -9.680 2.719 1.892 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -9.736 1.369 0.734 1.00 0.00 H new ATOM 609 N THR A 41 -8.170 0.456 -1.998 1.00 0.00 N ATOM 610 CA THR A 41 -8.979 -0.658 -2.462 1.00 0.00 C ATOM 611 C THR A 41 -9.188 -1.671 -1.334 1.00 0.00 C ATOM 612 O THR A 41 -8.545 -1.584 -0.289 1.00 0.00 O ATOM 613 CB THR A 41 -8.299 -1.254 -3.696 1.00 0.00 C ATOM 614 OG1 THR A 41 -9.080 -2.408 -3.999 1.00 0.00 O ATOM 615 CG2 THR A 41 -6.910 -1.815 -3.386 1.00 0.00 C ATOM 0 H THR A 41 -7.285 0.190 -1.565 1.00 0.00 H new ATOM 0 HA THR A 41 -9.977 -0.329 -2.750 1.00 0.00 H new ATOM 0 HB THR A 41 -8.217 -0.490 -4.470 1.00 0.00 H new ATOM 0 HG1 THR A 41 -8.710 -2.855 -4.789 1.00 0.00 H new ATOM 0 HG21 THR A 41 -6.472 -2.226 -4.296 1.00 0.00 H new ATOM 0 HG22 THR A 41 -6.272 -1.018 -3.004 1.00 0.00 H new ATOM 0 HG23 THR A 41 -6.994 -2.602 -2.637 1.00 0.00 H new ATOM 623 N GLY A 42 -10.090 -2.609 -1.584 1.00 0.00 N ATOM 624 CA GLY A 42 -10.391 -3.638 -0.603 1.00 0.00 C ATOM 625 C GLY A 42 -9.633 -4.930 -0.913 1.00 0.00 C ATOM 626 O GLY A 42 -9.074 -5.557 -0.014 1.00 0.00 O ATOM 0 H GLY A 42 -10.622 -2.678 -2.452 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -10.123 -3.285 0.393 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -11.463 -3.834 -0.594 1.00 0.00 H new ATOM 630 N THR A 43 -9.638 -5.291 -2.188 1.00 0.00 N ATOM 631 CA THR A 43 -8.958 -6.497 -2.628 1.00 0.00 C ATOM 632 C THR A 43 -7.446 -6.269 -2.676 1.00 0.00 C ATOM 633 O THR A 43 -6.984 -5.130 -2.628 1.00 0.00 O ATOM 634 CB THR A 43 -9.554 -6.911 -3.975 1.00 0.00 C ATOM 635 OG1 THR A 43 -10.947 -6.649 -3.834 1.00 0.00 O ATOM 636 CG2 THR A 43 -9.480 -8.421 -4.209 1.00 0.00 C ATOM 0 H THR A 43 -10.103 -4.769 -2.931 1.00 0.00 H new ATOM 0 HA THR A 43 -9.109 -7.316 -1.924 1.00 0.00 H new ATOM 0 HB THR A 43 -9.029 -6.394 -4.778 1.00 0.00 H new ATOM 0 HG1 THR A 43 -11.410 -6.888 -4.664 1.00 0.00 H new ATOM 0 HG21 THR A 43 -9.916 -8.661 -5.179 1.00 0.00 H new ATOM 0 HG22 THR A 43 -8.438 -8.741 -4.191 1.00 0.00 H new ATOM 0 HG23 THR A 43 -10.033 -8.938 -3.425 1.00 0.00 H new ATOM 644 N ALA A 44 -6.717 -7.371 -2.770 1.00 0.00 N ATOM 645 CA ALA A 44 -5.266 -7.307 -2.826 1.00 0.00 C ATOM 646 C ALA A 44 -4.809 -7.450 -4.279 1.00 0.00 C ATOM 647 O ALA A 44 -3.972 -6.679 -4.748 1.00 0.00 O ATOM 648 CB ALA A 44 -4.672 -8.385 -1.918 1.00 0.00 C ATOM 0 H ALA A 44 -7.104 -8.314 -2.809 1.00 0.00 H new ATOM 0 HA ALA A 44 -4.910 -6.343 -2.463 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -3.584 -8.337 -1.960 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -5.003 -8.220 -0.893 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -5.005 -9.367 -2.253 1.00 0.00 H new ATOM 654 N ASN A 45 -5.377 -8.440 -4.950 1.00 0.00 N ATOM 655 CA ASN A 45 -5.038 -8.694 -6.340 1.00 0.00 C ATOM 656 C ASN A 45 -5.370 -7.456 -7.175 1.00 0.00 C ATOM 657 O ASN A 45 -4.659 -7.137 -8.127 1.00 0.00 O ATOM 658 CB ASN A 45 -5.842 -9.870 -6.897 1.00 0.00 C ATOM 659 CG ASN A 45 -5.492 -11.169 -6.167 1.00 0.00 C ATOM 660 OD1 ASN A 45 -4.858 -11.174 -5.124 1.00 0.00 O ATOM 661 ND2 ASN A 45 -5.940 -12.266 -6.771 1.00 0.00 N ATOM 0 H ASN A 45 -6.070 -9.077 -4.557 1.00 0.00 H new ATOM 0 HA ASN A 45 -3.975 -8.929 -6.391 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -6.908 -9.667 -6.795 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -5.640 -9.981 -7.962 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -5.759 -13.183 -6.363 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -6.465 -12.190 -7.643 1.00 0.00 H new ATOM 668 N LYS A 46 -6.450 -6.793 -6.789 1.00 0.00 N ATOM 669 CA LYS A 46 -6.884 -5.597 -7.491 1.00 0.00 C ATOM 670 C LYS A 46 -6.262 -4.367 -6.827 1.00 0.00 C ATOM 671 O LYS A 46 -6.902 -3.322 -6.725 1.00 0.00 O ATOM 672 CB LYS A 46 -8.412 -5.547 -7.569 1.00 0.00 C ATOM 673 CG LYS A 46 -8.964 -6.776 -8.293 1.00 0.00 C ATOM 674 CD LYS A 46 -9.354 -7.870 -7.298 1.00 0.00 C ATOM 675 CE LYS A 46 -10.438 -8.780 -7.880 1.00 0.00 C ATOM 676 NZ LYS A 46 -9.837 -10.011 -8.438 1.00 0.00 N ATOM 0 H LYS A 46 -7.037 -7.061 -5.999 1.00 0.00 H new ATOM 0 HA LYS A 46 -6.535 -5.613 -8.523 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -8.830 -5.495 -6.564 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -8.724 -4.642 -8.091 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -9.833 -6.493 -8.886 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -8.216 -7.160 -8.987 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -8.476 -8.463 -7.041 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -9.713 -7.415 -6.375 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -11.158 -9.039 -7.104 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -10.986 -8.250 -8.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -10.587 -10.617 -8.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -9.167 -9.759 -9.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -9.334 -10.524 -7.686 1.00 0.00 H new ATOM 690 N ALA A 47 -5.020 -4.532 -6.395 1.00 0.00 N ATOM 691 CA ALA A 47 -4.304 -3.448 -5.744 1.00 0.00 C ATOM 692 C ALA A 47 -2.889 -3.361 -6.319 1.00 0.00 C ATOM 693 O ALA A 47 -2.364 -4.345 -6.838 1.00 0.00 O ATOM 694 CB ALA A 47 -4.306 -3.671 -4.231 1.00 0.00 C ATOM 0 H ALA A 47 -4.492 -5.400 -6.483 1.00 0.00 H new ATOM 0 HA ALA A 47 -4.796 -2.494 -5.933 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -3.769 -2.858 -3.743 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -5.334 -3.696 -3.868 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.817 -4.618 -4.002 1.00 0.00 H new ATOM 700 N SER A 48 -2.312 -2.173 -6.208 1.00 0.00 N ATOM 701 CA SER A 48 -0.968 -1.944 -6.710 1.00 0.00 C ATOM 702 C SER A 48 0.025 -1.903 -5.547 1.00 0.00 C ATOM 703 O SER A 48 1.183 -2.288 -5.701 1.00 0.00 O ATOM 704 CB SER A 48 -0.895 -0.646 -7.516 1.00 0.00 C ATOM 705 OG SER A 48 -1.696 -0.703 -8.693 1.00 0.00 O ATOM 0 H SER A 48 -2.751 -1.359 -5.778 1.00 0.00 H new ATOM 0 HA SER A 48 -0.706 -2.768 -7.374 1.00 0.00 H new ATOM 0 HB2 SER A 48 -1.224 0.186 -6.894 1.00 0.00 H new ATOM 0 HB3 SER A 48 0.141 -0.448 -7.792 1.00 0.00 H new ATOM 0 HG SER A 48 -1.624 0.145 -9.179 1.00 0.00 H new ATOM 711 N LEU A 49 -0.464 -1.433 -4.409 1.00 0.00 N ATOM 712 CA LEU A 49 0.367 -1.337 -3.220 1.00 0.00 C ATOM 713 C LEU A 49 -0.370 -1.966 -2.036 1.00 0.00 C ATOM 714 O LEU A 49 -1.584 -2.156 -2.086 1.00 0.00 O ATOM 715 CB LEU A 49 0.791 0.113 -2.980 1.00 0.00 C ATOM 716 CG LEU A 49 2.217 0.318 -2.463 1.00 0.00 C ATOM 717 CD1 LEU A 49 3.213 -0.537 -3.249 1.00 0.00 C ATOM 718 CD2 LEU A 49 2.598 1.799 -2.475 1.00 0.00 C ATOM 0 H LEU A 49 -1.425 -1.114 -4.285 1.00 0.00 H new ATOM 0 HA LEU A 49 1.292 -1.898 -3.355 1.00 0.00 H new ATOM 0 HB2 LEU A 49 0.682 0.662 -3.915 1.00 0.00 H new ATOM 0 HB3 LEU A 49 0.099 0.560 -2.266 1.00 0.00 H new ATOM 0 HG LEU A 49 2.255 -0.015 -1.426 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.219 -0.373 -2.862 1.00 0.00 H new ATOM 0 HD12 LEU A 49 2.951 -1.590 -3.144 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.180 -0.258 -4.302 1.00 0.00 H new ATOM 0 HD21 LEU A 49 3.616 1.916 -2.103 1.00 0.00 H new ATOM 0 HD22 LEU A 49 2.538 2.182 -3.494 1.00 0.00 H new ATOM 0 HD23 LEU A 49 1.912 2.356 -1.837 1.00 0.00 H new ATOM 730 N CYS A 50 0.396 -2.273 -1.000 1.00 0.00 N ATOM 731 CA CYS A 50 -0.169 -2.878 0.195 1.00 0.00 C ATOM 732 C CYS A 50 0.468 -2.213 1.417 1.00 0.00 C ATOM 733 O CYS A 50 1.690 -2.206 1.558 1.00 0.00 O ATOM 734 CB CYS A 50 0.023 -4.396 0.206 1.00 0.00 C ATOM 735 SG CYS A 50 -0.934 -5.138 1.578 1.00 0.00 S ATOM 0 H CYS A 50 1.403 -2.114 -0.963 1.00 0.00 H new ATOM 0 HA CYS A 50 -1.246 -2.714 0.214 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -0.301 -4.819 -0.745 1.00 0.00 H new ATOM 0 HB3 CYS A 50 1.080 -4.636 0.318 1.00 0.00 H new ATOM 0 HG CYS A 50 -0.459 -6.317 1.850 1.00 0.00 H new ATOM 741 N ILE A 51 -0.389 -1.671 2.269 1.00 0.00 N ATOM 742 CA ILE A 51 0.075 -1.005 3.475 1.00 0.00 C ATOM 743 C ILE A 51 -0.362 -1.813 4.699 1.00 0.00 C ATOM 744 O ILE A 51 -1.482 -1.655 5.184 1.00 0.00 O ATOM 745 CB ILE A 51 -0.397 0.450 3.498 1.00 0.00 C ATOM 746 CG1 ILE A 51 0.127 1.216 2.281 1.00 0.00 C ATOM 747 CG2 ILE A 51 -0.010 1.131 4.813 1.00 0.00 C ATOM 748 CD1 ILE A 51 -0.137 2.717 2.423 1.00 0.00 C ATOM 0 H ILE A 51 -1.402 -1.679 2.149 1.00 0.00 H new ATOM 0 HA ILE A 51 1.164 -0.963 3.493 1.00 0.00 H new ATOM 0 HB ILE A 51 -1.485 0.457 3.439 1.00 0.00 H new ATOM 0 HG12 ILE A 51 1.197 1.040 2.169 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -0.354 0.842 1.377 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -0.357 2.164 4.804 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -0.471 0.601 5.647 1.00 0.00 H new ATOM 0 HG23 ILE A 51 1.074 1.113 4.927 1.00 0.00 H new ATOM 0 HD11 ILE A 51 0.245 3.238 1.545 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -1.209 2.891 2.510 1.00 0.00 H new ATOM 0 HD13 ILE A 51 0.365 3.092 3.315 1.00 0.00 H new ATOM 760 N SER A 52 0.544 -2.660 5.163 1.00 0.00 N ATOM 761 CA SER A 52 0.266 -3.493 6.321 1.00 0.00 C ATOM 762 C SER A 52 1.368 -3.317 7.368 1.00 0.00 C ATOM 763 O SER A 52 2.225 -2.446 7.232 1.00 0.00 O ATOM 764 CB SER A 52 0.142 -4.965 5.923 1.00 0.00 C ATOM 765 OG SER A 52 -0.426 -5.754 6.966 1.00 0.00 O ATOM 0 H SER A 52 1.472 -2.788 4.758 1.00 0.00 H new ATOM 0 HA SER A 52 -0.686 -3.179 6.748 1.00 0.00 H new ATOM 0 HB2 SER A 52 -0.475 -5.048 5.028 1.00 0.00 H new ATOM 0 HB3 SER A 52 1.127 -5.356 5.668 1.00 0.00 H new ATOM 0 HG SER A 52 -1.024 -5.198 7.508 1.00 0.00 H new ATOM 771 N THR A 53 1.308 -4.158 8.390 1.00 0.00 N ATOM 772 CA THR A 53 2.289 -4.106 9.461 1.00 0.00 C ATOM 773 C THR A 53 3.112 -5.395 9.493 1.00 0.00 C ATOM 774 O THR A 53 2.676 -6.427 8.984 1.00 0.00 O ATOM 775 CB THR A 53 1.548 -3.825 10.769 1.00 0.00 C ATOM 776 OG1 THR A 53 0.566 -4.856 10.839 1.00 0.00 O ATOM 777 CG2 THR A 53 0.729 -2.534 10.713 1.00 0.00 C ATOM 0 H THR A 53 0.595 -4.879 8.499 1.00 0.00 H new ATOM 0 HA THR A 53 3.008 -3.303 9.300 1.00 0.00 H new ATOM 0 HB THR A 53 2.266 -3.764 11.587 1.00 0.00 H new ATOM 0 HG1 THR A 53 0.040 -4.751 11.659 1.00 0.00 H new ATOM 0 HG21 THR A 53 0.223 -2.382 11.667 1.00 0.00 H new ATOM 0 HG22 THR A 53 1.391 -1.691 10.515 1.00 0.00 H new ATOM 0 HG23 THR A 53 -0.012 -2.608 9.917 1.00 0.00 H new ATOM 785 N LYS A 54 4.287 -5.295 10.096 1.00 0.00 N ATOM 786 CA LYS A 54 5.174 -6.441 10.202 1.00 0.00 C ATOM 787 C LYS A 54 4.369 -7.666 10.639 1.00 0.00 C ATOM 788 O LYS A 54 4.373 -8.691 9.960 1.00 0.00 O ATOM 789 CB LYS A 54 6.355 -6.121 11.120 1.00 0.00 C ATOM 790 CG LYS A 54 7.093 -7.397 11.530 1.00 0.00 C ATOM 791 CD LYS A 54 8.594 -7.274 11.261 1.00 0.00 C ATOM 792 CE LYS A 54 8.924 -7.650 9.815 1.00 0.00 C ATOM 793 NZ LYS A 54 9.349 -9.065 9.731 1.00 0.00 N ATOM 0 H LYS A 54 4.646 -4.438 10.516 1.00 0.00 H new ATOM 0 HA LYS A 54 5.610 -6.676 9.231 1.00 0.00 H new ATOM 0 HB2 LYS A 54 7.043 -5.446 10.611 1.00 0.00 H new ATOM 0 HB3 LYS A 54 5.998 -5.601 12.009 1.00 0.00 H new ATOM 0 HG2 LYS A 54 6.925 -7.594 12.589 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.690 -8.247 10.980 1.00 0.00 H new ATOM 0 HD2 LYS A 54 8.920 -6.253 11.459 1.00 0.00 H new ATOM 0 HD3 LYS A 54 9.144 -7.922 11.944 1.00 0.00 H new ATOM 0 HE2 LYS A 54 8.051 -7.488 9.183 1.00 0.00 H new ATOM 0 HE3 LYS A 54 9.716 -7.003 9.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 9.164 -9.427 8.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 10.366 -9.135 9.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 8.816 -9.629 10.423 1.00 0.00 H new ATOM 807 N LYS A 55 3.697 -7.519 11.772 1.00 0.00 N ATOM 808 CA LYS A 55 2.889 -8.600 12.309 1.00 0.00 C ATOM 809 C LYS A 55 2.132 -9.281 11.166 1.00 0.00 C ATOM 810 O LYS A 55 2.432 -10.420 10.810 1.00 0.00 O ATOM 811 CB LYS A 55 1.981 -8.087 13.427 1.00 0.00 C ATOM 812 CG LYS A 55 2.441 -8.607 14.790 1.00 0.00 C ATOM 813 CD LYS A 55 1.603 -8.005 15.919 1.00 0.00 C ATOM 814 CE LYS A 55 2.240 -8.281 17.283 1.00 0.00 C ATOM 815 NZ LYS A 55 3.390 -7.378 17.509 1.00 0.00 N ATOM 0 H LYS A 55 3.696 -6.667 12.333 1.00 0.00 H new ATOM 0 HA LYS A 55 3.524 -9.358 12.769 1.00 0.00 H new ATOM 0 HB2 LYS A 55 1.983 -6.997 13.430 1.00 0.00 H new ATOM 0 HB3 LYS A 55 0.955 -8.403 13.241 1.00 0.00 H new ATOM 0 HG2 LYS A 55 2.362 -9.694 14.814 1.00 0.00 H new ATOM 0 HG3 LYS A 55 3.492 -8.360 14.941 1.00 0.00 H new ATOM 0 HD2 LYS A 55 1.505 -6.930 15.770 1.00 0.00 H new ATOM 0 HD3 LYS A 55 0.597 -8.423 15.892 1.00 0.00 H new ATOM 0 HE2 LYS A 55 1.500 -8.142 18.071 1.00 0.00 H new ATOM 0 HE3 LYS A 55 2.569 -9.319 17.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 3.705 -7.457 18.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 4.170 -7.644 16.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 3.105 -6.397 17.315 1.00 0.00 H new ATOM 829 N GLU A 56 1.167 -8.555 10.623 1.00 0.00 N ATOM 830 CA GLU A 56 0.365 -9.074 9.528 1.00 0.00 C ATOM 831 C GLU A 56 1.229 -9.923 8.594 1.00 0.00 C ATOM 832 O GLU A 56 1.025 -11.131 8.480 1.00 0.00 O ATOM 833 CB GLU A 56 -0.319 -7.939 8.763 1.00 0.00 C ATOM 834 CG GLU A 56 -1.842 -8.056 8.853 1.00 0.00 C ATOM 835 CD GLU A 56 -2.312 -9.445 8.416 1.00 0.00 C ATOM 836 OE1 GLU A 56 -1.591 -10.057 7.598 1.00 0.00 O ATOM 837 OE2 GLU A 56 -3.381 -9.864 8.910 1.00 0.00 O ATOM 0 H GLU A 56 0.922 -7.611 10.921 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.417 -9.709 9.945 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.000 -6.979 9.168 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -0.010 -7.962 7.718 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.165 -7.864 9.876 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.306 -7.296 8.224 1.00 0.00 H new ATOM 844 N VAL A 57 2.176 -9.258 7.948 1.00 0.00 N ATOM 845 CA VAL A 57 3.072 -9.937 7.028 1.00 0.00 C ATOM 846 C VAL A 57 3.577 -11.229 7.673 1.00 0.00 C ATOM 847 O VAL A 57 3.444 -12.307 7.097 1.00 0.00 O ATOM 848 CB VAL A 57 4.204 -8.995 6.609 1.00 0.00 C ATOM 849 CG1 VAL A 57 5.048 -9.615 5.494 1.00 0.00 C ATOM 850 CG2 VAL A 57 3.654 -7.631 6.188 1.00 0.00 C ATOM 0 H VAL A 57 2.342 -8.256 8.044 1.00 0.00 H new ATOM 0 HA VAL A 57 2.544 -10.215 6.116 1.00 0.00 H new ATOM 0 HB VAL A 57 4.851 -8.843 7.473 1.00 0.00 H new ATOM 0 HG11 VAL A 57 5.845 -8.926 5.215 1.00 0.00 H new ATOM 0 HG12 VAL A 57 5.484 -10.551 5.845 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.418 -9.811 4.627 1.00 0.00 H new ATOM 0 HG21 VAL A 57 4.478 -6.981 5.895 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.974 -7.757 5.345 1.00 0.00 H new ATOM 0 HG23 VAL A 57 3.117 -7.182 7.023 1.00 0.00 H new ATOM 860 N GLU A 58 4.145 -11.077 8.860 1.00 0.00 N ATOM 861 CA GLU A 58 4.670 -12.218 9.590 1.00 0.00 C ATOM 862 C GLU A 58 3.591 -13.292 9.744 1.00 0.00 C ATOM 863 O GLU A 58 3.901 -14.475 9.873 1.00 0.00 O ATOM 864 CB GLU A 58 5.218 -11.792 10.953 1.00 0.00 C ATOM 865 CG GLU A 58 6.698 -11.415 10.855 1.00 0.00 C ATOM 866 CD GLU A 58 7.435 -11.743 12.156 1.00 0.00 C ATOM 867 OE1 GLU A 58 7.343 -12.915 12.580 1.00 0.00 O ATOM 868 OE2 GLU A 58 8.072 -10.814 12.696 1.00 0.00 O ATOM 0 H GLU A 58 4.253 -10.181 9.335 1.00 0.00 H new ATOM 0 HA GLU A 58 5.497 -12.641 9.019 1.00 0.00 H new ATOM 0 HB2 GLU A 58 4.647 -10.943 11.330 1.00 0.00 H new ATOM 0 HB3 GLU A 58 5.092 -12.604 11.669 1.00 0.00 H new ATOM 0 HG2 GLU A 58 7.160 -11.952 10.026 1.00 0.00 H new ATOM 0 HG3 GLU A 58 6.792 -10.351 10.638 1.00 0.00 H new ATOM 875 N LYS A 59 2.345 -12.841 9.726 1.00 0.00 N ATOM 876 CA LYS A 59 1.219 -13.748 9.862 1.00 0.00 C ATOM 877 C LYS A 59 0.942 -14.417 8.514 1.00 0.00 C ATOM 878 O LYS A 59 0.450 -15.543 8.466 1.00 0.00 O ATOM 879 CB LYS A 59 0.008 -13.015 10.445 1.00 0.00 C ATOM 880 CG LYS A 59 0.376 -12.294 11.743 1.00 0.00 C ATOM 881 CD LYS A 59 -0.373 -12.895 12.935 1.00 0.00 C ATOM 882 CE LYS A 59 -0.289 -11.975 14.155 1.00 0.00 C ATOM 883 NZ LYS A 59 0.173 -12.729 15.341 1.00 0.00 N ATOM 0 H LYS A 59 2.091 -11.859 9.619 1.00 0.00 H new ATOM 0 HA LYS A 59 1.454 -14.543 10.570 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -0.370 -12.295 9.719 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -0.795 -13.727 10.635 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.451 -12.365 11.911 1.00 0.00 H new ATOM 0 HG3 LYS A 59 0.137 -11.234 11.655 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -1.417 -13.057 12.669 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.049 -13.870 13.180 1.00 0.00 H new ATOM 0 HE2 LYS A 59 0.396 -11.152 13.951 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -1.266 -11.535 14.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 0.225 -12.090 16.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -0.495 -13.500 15.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 1.115 -13.128 15.153 1.00 0.00 H new ATOM 897 N MET A 60 1.271 -13.695 7.453 1.00 0.00 N ATOM 898 CA MET A 60 1.064 -14.205 6.108 1.00 0.00 C ATOM 899 C MET A 60 -0.376 -14.684 5.919 1.00 0.00 C ATOM 900 O MET A 60 -0.626 -15.637 5.182 1.00 0.00 O ATOM 901 CB MET A 60 2.027 -15.366 5.849 1.00 0.00 C ATOM 902 CG MET A 60 3.313 -14.873 5.183 1.00 0.00 C ATOM 903 SD MET A 60 3.104 -14.827 3.411 1.00 0.00 S ATOM 904 CE MET A 60 2.428 -13.185 3.221 1.00 0.00 C ATOM 0 H MET A 60 1.679 -12.761 7.497 1.00 0.00 H new ATOM 0 HA MET A 60 1.254 -13.398 5.400 1.00 0.00 H new ATOM 0 HB2 MET A 60 2.267 -15.861 6.790 1.00 0.00 H new ATOM 0 HB3 MET A 60 1.545 -16.108 5.213 1.00 0.00 H new ATOM 0 HG2 MET A 60 3.566 -13.880 5.553 1.00 0.00 H new ATOM 0 HG3 MET A 60 4.142 -15.531 5.443 1.00 0.00 H new ATOM 0 HE1 MET A 60 2.596 -12.838 2.202 1.00 0.00 H new ATOM 0 HE2 MET A 60 1.357 -13.206 3.425 1.00 0.00 H new ATOM 0 HE3 MET A 60 2.917 -12.507 3.920 1.00 0.00 H new ATOM 914 N ASN A 61 -1.287 -14.001 6.596 1.00 0.00 N ATOM 915 CA ASN A 61 -2.696 -14.345 6.512 1.00 0.00 C ATOM 916 C ASN A 61 -3.159 -14.228 5.058 1.00 0.00 C ATOM 917 O ASN A 61 -2.404 -13.779 4.197 1.00 0.00 O ATOM 918 CB ASN A 61 -3.547 -13.395 7.357 1.00 0.00 C ATOM 919 CG ASN A 61 -4.845 -14.070 7.802 1.00 0.00 C ATOM 920 OD1 ASN A 61 -4.948 -15.283 7.885 1.00 0.00 O ATOM 921 ND2 ASN A 61 -5.828 -13.219 8.084 1.00 0.00 N ATOM 0 H ASN A 61 -1.077 -13.211 7.205 1.00 0.00 H new ATOM 0 HA ASN A 61 -2.817 -15.363 6.882 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -2.981 -13.075 8.232 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -3.778 -12.499 6.781 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -6.735 -13.571 8.391 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -5.675 -12.215 7.993 1.00 0.00 H new ATOM 928 N LYS A 62 -4.398 -14.639 4.830 1.00 0.00 N ATOM 929 CA LYS A 62 -4.970 -14.585 3.496 1.00 0.00 C ATOM 930 C LYS A 62 -4.838 -13.164 2.945 1.00 0.00 C ATOM 931 O LYS A 62 -4.341 -12.967 1.838 1.00 0.00 O ATOM 932 CB LYS A 62 -6.408 -15.109 3.508 1.00 0.00 C ATOM 933 CG LYS A 62 -6.436 -16.629 3.675 1.00 0.00 C ATOM 934 CD LYS A 62 -7.410 -17.272 2.685 1.00 0.00 C ATOM 935 CE LYS A 62 -8.098 -18.490 3.305 1.00 0.00 C ATOM 936 NZ LYS A 62 -9.523 -18.539 2.908 1.00 0.00 N ATOM 0 H LYS A 62 -5.021 -15.011 5.547 1.00 0.00 H new ATOM 0 HA LYS A 62 -4.421 -15.241 2.820 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -6.963 -14.640 4.321 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -6.907 -14.832 2.580 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -5.436 -17.034 3.521 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -6.729 -16.881 4.694 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -8.160 -16.542 2.381 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -6.874 -17.572 1.785 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -7.594 -19.402 2.985 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -8.018 -18.446 4.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -9.975 -19.372 3.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -10.004 -17.677 3.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -9.593 -18.603 1.872 1.00 0.00 H new ATOM 950 N LYS A 63 -5.292 -12.210 3.744 1.00 0.00 N ATOM 951 CA LYS A 63 -5.231 -10.812 3.351 1.00 0.00 C ATOM 952 C LYS A 63 -3.827 -10.494 2.831 1.00 0.00 C ATOM 953 O LYS A 63 -3.657 -9.608 1.995 1.00 0.00 O ATOM 954 CB LYS A 63 -5.678 -9.911 4.504 1.00 0.00 C ATOM 955 CG LYS A 63 -7.190 -10.005 4.718 1.00 0.00 C ATOM 956 CD LYS A 63 -7.837 -8.620 4.674 1.00 0.00 C ATOM 957 CE LYS A 63 -8.319 -8.194 6.062 1.00 0.00 C ATOM 958 NZ LYS A 63 -9.706 -7.683 5.995 1.00 0.00 N ATOM 0 H LYS A 63 -5.704 -12.377 4.662 1.00 0.00 H new ATOM 0 HA LYS A 63 -5.926 -10.615 2.535 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.159 -10.199 5.418 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -5.400 -8.878 4.292 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.631 -10.641 3.950 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -7.396 -10.476 5.679 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -7.120 -7.892 4.295 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -8.678 -8.630 3.981 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -8.270 -9.041 6.746 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -7.660 -7.423 6.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -10.017 -7.398 6.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -9.743 -6.862 5.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -10.334 -8.429 5.634 1.00 0.00 H new ATOM 972 N MET A 64 -2.858 -11.235 3.347 1.00 0.00 N ATOM 973 CA MET A 64 -1.475 -11.044 2.945 1.00 0.00 C ATOM 974 C MET A 64 -1.086 -12.021 1.834 1.00 0.00 C ATOM 975 O MET A 64 -0.115 -11.794 1.114 1.00 0.00 O ATOM 976 CB MET A 64 -0.558 -11.253 4.152 1.00 0.00 C ATOM 977 CG MET A 64 0.853 -10.738 3.865 1.00 0.00 C ATOM 978 SD MET A 64 0.850 -8.954 3.792 1.00 0.00 S ATOM 979 CE MET A 64 0.225 -8.579 5.421 1.00 0.00 C ATOM 0 H MET A 64 -3.003 -11.969 4.040 1.00 0.00 H new ATOM 0 HA MET A 64 -1.365 -10.028 2.565 1.00 0.00 H new ATOM 0 HB2 MET A 64 -0.968 -10.735 5.019 1.00 0.00 H new ATOM 0 HB3 MET A 64 -0.518 -12.313 4.403 1.00 0.00 H new ATOM 0 HG2 MET A 64 1.538 -11.077 4.642 1.00 0.00 H new ATOM 0 HG3 MET A 64 1.214 -11.148 2.922 1.00 0.00 H new ATOM 0 HE1 MET A 64 -0.809 -8.242 5.345 1.00 0.00 H new ATOM 0 HE2 MET A 64 0.270 -9.473 6.043 1.00 0.00 H new ATOM 0 HE3 MET A 64 0.831 -7.793 5.871 1.00 0.00 H new ATOM 989 N GLU A 65 -1.865 -13.087 1.728 1.00 0.00 N ATOM 990 CA GLU A 65 -1.615 -14.100 0.717 1.00 0.00 C ATOM 991 C GLU A 65 -2.114 -13.622 -0.648 1.00 0.00 C ATOM 992 O GLU A 65 -1.523 -13.945 -1.677 1.00 0.00 O ATOM 993 CB GLU A 65 -2.263 -15.432 1.102 1.00 0.00 C ATOM 994 CG GLU A 65 -3.649 -15.570 0.469 1.00 0.00 C ATOM 995 CD GLU A 65 -4.196 -16.987 0.651 1.00 0.00 C ATOM 996 OE1 GLU A 65 -4.056 -17.510 1.778 1.00 0.00 O ATOM 997 OE2 GLU A 65 -4.740 -17.517 -0.342 1.00 0.00 O ATOM 0 H GLU A 65 -2.670 -13.271 2.326 1.00 0.00 H new ATOM 0 HA GLU A 65 -0.539 -14.263 0.653 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -1.628 -16.257 0.779 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -2.346 -15.500 2.187 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -4.333 -14.852 0.921 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -3.593 -15.332 -0.593 1.00 0.00 H new ATOM 1004 N GLU A 66 -3.197 -12.859 -0.613 1.00 0.00 N ATOM 1005 CA GLU A 66 -3.782 -12.333 -1.834 1.00 0.00 C ATOM 1006 C GLU A 66 -2.827 -11.335 -2.493 1.00 0.00 C ATOM 1007 O GLU A 66 -2.865 -11.144 -3.708 1.00 0.00 O ATOM 1008 CB GLU A 66 -5.142 -11.689 -1.557 1.00 0.00 C ATOM 1009 CG GLU A 66 -6.144 -12.724 -1.043 1.00 0.00 C ATOM 1010 CD GLU A 66 -7.122 -13.135 -2.146 1.00 0.00 C ATOM 1011 OE1 GLU A 66 -8.096 -12.379 -2.352 1.00 0.00 O ATOM 1012 OE2 GLU A 66 -6.873 -14.196 -2.759 1.00 0.00 O ATOM 0 H GLU A 66 -3.685 -12.593 0.242 1.00 0.00 H new ATOM 0 HA GLU A 66 -3.943 -13.162 -2.523 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -5.028 -10.892 -0.822 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.524 -11.230 -2.469 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -5.611 -13.602 -0.679 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -6.696 -12.313 -0.198 1.00 0.00 H new ATOM 1019 N VAL A 67 -1.993 -10.726 -1.664 1.00 0.00 N ATOM 1020 CA VAL A 67 -1.030 -9.754 -2.151 1.00 0.00 C ATOM 1021 C VAL A 67 0.281 -10.467 -2.492 1.00 0.00 C ATOM 1022 O VAL A 67 1.043 -10.001 -3.338 1.00 0.00 O ATOM 1023 CB VAL A 67 -0.852 -8.634 -1.124 1.00 0.00 C ATOM 1024 CG1 VAL A 67 -1.510 -9.001 0.207 1.00 0.00 C ATOM 1025 CG2 VAL A 67 0.628 -8.298 -0.930 1.00 0.00 C ATOM 0 H VAL A 67 -1.964 -10.887 -0.657 1.00 0.00 H new ATOM 0 HA VAL A 67 -1.391 -9.284 -3.066 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.350 -7.744 -1.509 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -1.369 -8.188 0.919 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.576 -9.167 0.052 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -1.055 -9.910 0.599 1.00 0.00 H new ATOM 0 HG21 VAL A 67 0.726 -7.499 -0.195 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.159 -9.182 -0.578 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.055 -7.973 -1.879 1.00 0.00 H new ATOM 1035 N LYS A 68 0.503 -11.584 -1.815 1.00 0.00 N ATOM 1036 CA LYS A 68 1.708 -12.365 -2.035 1.00 0.00 C ATOM 1037 C LYS A 68 1.624 -13.050 -3.400 1.00 0.00 C ATOM 1038 O LYS A 68 2.643 -13.446 -3.964 1.00 0.00 O ATOM 1039 CB LYS A 68 1.938 -13.334 -0.874 1.00 0.00 C ATOM 1040 CG LYS A 68 3.252 -14.098 -1.049 1.00 0.00 C ATOM 1041 CD LYS A 68 3.846 -14.486 0.307 1.00 0.00 C ATOM 1042 CE LYS A 68 5.200 -15.177 0.135 1.00 0.00 C ATOM 1043 NZ LYS A 68 5.021 -16.536 -0.424 1.00 0.00 N ATOM 0 H LYS A 68 -0.131 -11.967 -1.114 1.00 0.00 H new ATOM 0 HA LYS A 68 2.584 -11.716 -2.057 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.956 -12.783 0.066 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.109 -14.039 -0.814 1.00 0.00 H new ATOM 0 HG2 LYS A 68 3.079 -14.995 -1.644 1.00 0.00 H new ATOM 0 HG3 LYS A 68 3.964 -13.483 -1.599 1.00 0.00 H new ATOM 0 HD2 LYS A 68 3.964 -13.596 0.925 1.00 0.00 H new ATOM 0 HD3 LYS A 68 3.159 -15.150 0.832 1.00 0.00 H new ATOM 0 HE2 LYS A 68 5.835 -14.586 -0.525 1.00 0.00 H new ATOM 0 HE3 LYS A 68 5.709 -15.237 1.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 5.937 -17.028 -0.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 4.351 -17.069 0.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 4.649 -16.467 -1.393 1.00 0.00 H new ATOM 1057 N GLU A 69 0.399 -13.170 -3.892 1.00 0.00 N ATOM 1058 CA GLU A 69 0.169 -13.800 -5.181 1.00 0.00 C ATOM 1059 C GLU A 69 0.297 -12.771 -6.306 1.00 0.00 C ATOM 1060 O GLU A 69 0.816 -13.079 -7.378 1.00 0.00 O ATOM 1061 CB GLU A 69 -1.198 -14.487 -5.219 1.00 0.00 C ATOM 1062 CG GLU A 69 -1.443 -15.292 -3.942 1.00 0.00 C ATOM 1063 CD GLU A 69 -1.618 -16.779 -4.256 1.00 0.00 C ATOM 1064 OE1 GLU A 69 -0.906 -17.255 -5.167 1.00 0.00 O ATOM 1065 OE2 GLU A 69 -2.461 -17.407 -3.579 1.00 0.00 O ATOM 0 H GLU A 69 -0.444 -12.842 -3.421 1.00 0.00 H new ATOM 0 HA GLU A 69 0.929 -14.567 -5.329 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -1.982 -13.739 -5.337 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.254 -15.146 -6.085 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -0.606 -15.157 -3.257 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.332 -14.916 -3.436 1.00 0.00 H new ATOM 1072 N ALA A 70 -0.185 -11.570 -6.024 1.00 0.00 N ATOM 1073 CA ALA A 70 -0.131 -10.494 -6.998 1.00 0.00 C ATOM 1074 C ALA A 70 1.213 -9.773 -6.881 1.00 0.00 C ATOM 1075 O ALA A 70 1.402 -8.705 -7.463 1.00 0.00 O ATOM 1076 CB ALA A 70 -1.318 -9.552 -6.786 1.00 0.00 C ATOM 0 H ALA A 70 -0.615 -11.318 -5.134 1.00 0.00 H new ATOM 0 HA ALA A 70 -0.206 -10.890 -8.011 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -1.277 -8.745 -7.517 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -2.249 -10.106 -6.909 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -1.275 -9.133 -5.781 1.00 0.00 H new ATOM 1082 N ASN A 71 2.113 -10.384 -6.125 1.00 0.00 N ATOM 1083 CA ASN A 71 3.434 -9.814 -5.925 1.00 0.00 C ATOM 1084 C ASN A 71 3.302 -8.314 -5.657 1.00 0.00 C ATOM 1085 O ASN A 71 3.838 -7.497 -6.405 1.00 0.00 O ATOM 1086 CB ASN A 71 4.308 -9.998 -7.167 1.00 0.00 C ATOM 1087 CG ASN A 71 5.776 -10.194 -6.782 1.00 0.00 C ATOM 1088 OD1 ASN A 71 6.103 -10.755 -5.749 1.00 0.00 O ATOM 1089 ND2 ASN A 71 6.638 -9.702 -7.667 1.00 0.00 N ATOM 0 H ASN A 71 1.953 -11.269 -5.643 1.00 0.00 H new ATOM 0 HA ASN A 71 3.897 -10.324 -5.080 1.00 0.00 H new ATOM 0 HB2 ASN A 71 3.960 -10.860 -7.736 1.00 0.00 H new ATOM 0 HB3 ASN A 71 4.212 -9.127 -7.816 1.00 0.00 H new ATOM 0 HD21 ASN A 71 7.641 -9.783 -7.501 1.00 0.00 H new ATOM 0 HD22 ASN A 71 6.296 -9.244 -8.512 1.00 0.00 H new ATOM 1096 N ILE A 72 2.586 -7.996 -4.589 1.00 0.00 N ATOM 1097 CA ILE A 72 2.377 -6.608 -4.213 1.00 0.00 C ATOM 1098 C ILE A 72 3.199 -6.293 -2.963 1.00 0.00 C ATOM 1099 O ILE A 72 2.877 -6.757 -1.870 1.00 0.00 O ATOM 1100 CB ILE A 72 0.883 -6.315 -4.057 1.00 0.00 C ATOM 1101 CG1 ILE A 72 0.112 -6.708 -5.319 1.00 0.00 C ATOM 1102 CG2 ILE A 72 0.649 -4.852 -3.674 1.00 0.00 C ATOM 1103 CD1 ILE A 72 -1.397 -6.700 -5.064 1.00 0.00 C ATOM 0 H ILE A 72 2.143 -8.676 -3.971 1.00 0.00 H new ATOM 0 HA ILE A 72 2.729 -5.943 -5.001 1.00 0.00 H new ATOM 0 HB ILE A 72 0.498 -6.927 -3.242 1.00 0.00 H new ATOM 0 HG12 ILE A 72 0.352 -6.016 -6.126 1.00 0.00 H new ATOM 0 HG13 ILE A 72 0.424 -7.700 -5.646 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -0.421 -4.670 -3.569 1.00 0.00 H new ATOM 0 HG22 ILE A 72 1.148 -4.639 -2.728 1.00 0.00 H new ATOM 0 HG23 ILE A 72 1.053 -4.203 -4.451 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -1.922 -6.983 -5.977 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.636 -7.411 -4.273 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.709 -5.701 -4.761 1.00 0.00 H new ATOM 1115 N ARG A 73 4.247 -5.507 -3.165 1.00 0.00 N ATOM 1116 CA ARG A 73 5.118 -5.124 -2.067 1.00 0.00 C ATOM 1117 C ARG A 73 4.297 -4.533 -0.919 1.00 0.00 C ATOM 1118 O ARG A 73 3.442 -3.676 -1.140 1.00 0.00 O ATOM 1119 CB ARG A 73 6.159 -4.100 -2.521 1.00 0.00 C ATOM 1120 CG ARG A 73 5.505 -2.750 -2.822 1.00 0.00 C ATOM 1121 CD ARG A 73 6.520 -1.767 -3.409 1.00 0.00 C ATOM 1122 NE ARG A 73 6.083 -1.332 -4.754 1.00 0.00 N ATOM 1123 CZ ARG A 73 6.343 -2.006 -5.883 1.00 0.00 C ATOM 1124 NH1 ARG A 73 7.039 -3.150 -5.836 1.00 0.00 N ATOM 1125 NH2 ARG A 73 5.907 -1.535 -7.060 1.00 0.00 N ATOM 0 H ARG A 73 4.512 -5.125 -4.073 1.00 0.00 H new ATOM 0 HA ARG A 73 5.634 -6.021 -1.725 1.00 0.00 H new ATOM 0 HB2 ARG A 73 6.915 -3.977 -1.746 1.00 0.00 H new ATOM 0 HB3 ARG A 73 6.671 -4.467 -3.411 1.00 0.00 H new ATOM 0 HG2 ARG A 73 4.681 -2.889 -3.522 1.00 0.00 H new ATOM 0 HG3 ARG A 73 5.080 -2.336 -1.908 1.00 0.00 H new ATOM 0 HD2 ARG A 73 6.622 -0.902 -2.753 1.00 0.00 H new ATOM 0 HD3 ARG A 73 7.501 -2.238 -3.471 1.00 0.00 H new ATOM 0 HE ARG A 73 5.551 -0.465 -4.827 1.00 0.00 H new ATOM 0 HH11 ARG A 73 7.371 -3.508 -4.941 1.00 0.00 H new ATOM 0 HH12 ARG A 73 7.237 -3.662 -6.696 1.00 0.00 H new ATOM 0 HH21 ARG A 73 5.378 -0.664 -7.096 1.00 0.00 H new ATOM 0 HH22 ARG A 73 6.105 -2.048 -7.919 1.00 0.00 H new ATOM 1139 N VAL A 74 4.587 -5.012 0.282 1.00 0.00 N ATOM 1140 CA VAL A 74 3.886 -4.541 1.464 1.00 0.00 C ATOM 1141 C VAL A 74 4.788 -3.574 2.235 1.00 0.00 C ATOM 1142 O VAL A 74 5.832 -3.971 2.749 1.00 0.00 O ATOM 1143 CB VAL A 74 3.426 -5.732 2.309 1.00 0.00 C ATOM 1144 CG1 VAL A 74 2.451 -5.285 3.400 1.00 0.00 C ATOM 1145 CG2 VAL A 74 2.806 -6.820 1.431 1.00 0.00 C ATOM 0 H VAL A 74 5.298 -5.721 0.462 1.00 0.00 H new ATOM 0 HA VAL A 74 2.987 -3.993 1.182 1.00 0.00 H new ATOM 0 HB VAL A 74 4.303 -6.156 2.797 1.00 0.00 H new ATOM 0 HG11 VAL A 74 2.139 -6.150 3.986 1.00 0.00 H new ATOM 0 HG12 VAL A 74 2.941 -4.562 4.052 1.00 0.00 H new ATOM 0 HG13 VAL A 74 1.577 -4.824 2.940 1.00 0.00 H new ATOM 0 HG21 VAL A 74 2.488 -7.654 2.056 1.00 0.00 H new ATOM 0 HG22 VAL A 74 1.944 -6.413 0.902 1.00 0.00 H new ATOM 0 HG23 VAL A 74 3.544 -7.169 0.708 1.00 0.00 H new ATOM 1155 N VAL A 75 4.351 -2.325 2.290 1.00 0.00 N ATOM 1156 CA VAL A 75 5.105 -1.298 2.988 1.00 0.00 C ATOM 1157 C VAL A 75 4.325 -0.852 4.226 1.00 0.00 C ATOM 1158 O VAL A 75 3.180 -1.257 4.422 1.00 0.00 O ATOM 1159 CB VAL A 75 5.426 -0.145 2.036 1.00 0.00 C ATOM 1160 CG1 VAL A 75 6.145 -0.651 0.784 1.00 0.00 C ATOM 1161 CG2 VAL A 75 4.159 0.628 1.665 1.00 0.00 C ATOM 0 H VAL A 75 3.484 -2.001 1.862 1.00 0.00 H new ATOM 0 HA VAL A 75 6.061 -1.693 3.331 1.00 0.00 H new ATOM 0 HB VAL A 75 6.097 0.540 2.554 1.00 0.00 H new ATOM 0 HG11 VAL A 75 6.361 0.189 0.124 1.00 0.00 H new ATOM 0 HG12 VAL A 75 7.078 -1.136 1.071 1.00 0.00 H new ATOM 0 HG13 VAL A 75 5.509 -1.367 0.263 1.00 0.00 H new ATOM 0 HG21 VAL A 75 4.415 1.442 0.987 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.453 -0.043 1.175 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.705 1.036 2.568 1.00 0.00 H new ATOM 1171 N SER A 76 4.976 -0.024 5.030 1.00 0.00 N ATOM 1172 CA SER A 76 4.357 0.482 6.244 1.00 0.00 C ATOM 1173 C SER A 76 3.497 1.706 5.922 1.00 0.00 C ATOM 1174 O SER A 76 3.319 2.054 4.756 1.00 0.00 O ATOM 1175 CB SER A 76 5.413 0.837 7.293 1.00 0.00 C ATOM 1176 OG SER A 76 5.973 2.128 7.071 1.00 0.00 O ATOM 0 H SER A 76 5.926 0.309 4.865 1.00 0.00 H new ATOM 0 HA SER A 76 3.722 -0.302 6.657 1.00 0.00 H new ATOM 0 HB2 SER A 76 4.964 0.802 8.286 1.00 0.00 H new ATOM 0 HB3 SER A 76 6.206 0.090 7.276 1.00 0.00 H new ATOM 0 HG SER A 76 6.641 2.318 7.762 1.00 0.00 H new ATOM 1182 N GLU A 77 2.986 2.324 6.976 1.00 0.00 N ATOM 1183 CA GLU A 77 2.148 3.501 6.821 1.00 0.00 C ATOM 1184 C GLU A 77 3.013 4.740 6.580 1.00 0.00 C ATOM 1185 O GLU A 77 2.733 5.532 5.681 1.00 0.00 O ATOM 1186 CB GLU A 77 1.241 3.693 8.038 1.00 0.00 C ATOM 1187 CG GLU A 77 -0.219 3.859 7.613 1.00 0.00 C ATOM 1188 CD GLU A 77 -0.820 5.137 8.202 1.00 0.00 C ATOM 1189 OE1 GLU A 77 -1.134 5.111 9.411 1.00 0.00 O ATOM 1190 OE2 GLU A 77 -0.951 6.110 7.429 1.00 0.00 O ATOM 0 H GLU A 77 3.136 2.032 7.942 1.00 0.00 H new ATOM 0 HA GLU A 77 1.507 3.355 5.952 1.00 0.00 H new ATOM 0 HB2 GLU A 77 1.334 2.835 8.704 1.00 0.00 H new ATOM 0 HB3 GLU A 77 1.562 4.570 8.600 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -0.283 3.890 6.525 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -0.798 2.996 7.942 1.00 0.00 H new ATOM 1197 N ASP A 78 4.047 4.869 7.398 1.00 0.00 N ATOM 1198 CA ASP A 78 4.954 5.998 7.285 1.00 0.00 C ATOM 1199 C ASP A 78 5.232 6.277 5.807 1.00 0.00 C ATOM 1200 O ASP A 78 5.413 7.428 5.412 1.00 0.00 O ATOM 1201 CB ASP A 78 6.290 5.701 7.969 1.00 0.00 C ATOM 1202 CG ASP A 78 6.195 5.379 9.462 1.00 0.00 C ATOM 1203 OD1 ASP A 78 5.888 6.319 10.227 1.00 0.00 O ATOM 1204 OD2 ASP A 78 6.431 4.201 9.804 1.00 0.00 O ATOM 0 H ASP A 78 4.277 4.210 8.142 1.00 0.00 H new ATOM 0 HA ASP A 78 4.485 6.857 7.766 1.00 0.00 H new ATOM 0 HB2 ASP A 78 6.762 4.860 7.461 1.00 0.00 H new ATOM 0 HB3 ASP A 78 6.947 6.561 7.839 1.00 0.00 H new ATOM 1209 N PHE A 79 5.258 5.205 5.029 1.00 0.00 N ATOM 1210 CA PHE A 79 5.511 5.320 3.603 1.00 0.00 C ATOM 1211 C PHE A 79 4.695 6.461 2.992 1.00 0.00 C ATOM 1212 O PHE A 79 5.160 7.143 2.080 1.00 0.00 O ATOM 1213 CB PHE A 79 5.077 4.000 2.964 1.00 0.00 C ATOM 1214 CG PHE A 79 4.721 4.114 1.480 1.00 0.00 C ATOM 1215 CD1 PHE A 79 5.707 4.223 0.550 1.00 0.00 C ATOM 1216 CD2 PHE A 79 3.418 4.107 1.091 1.00 0.00 C ATOM 1217 CE1 PHE A 79 5.377 4.329 -0.827 1.00 0.00 C ATOM 1218 CE2 PHE A 79 3.087 4.213 -0.286 1.00 0.00 C ATOM 1219 CZ PHE A 79 4.074 4.322 -1.216 1.00 0.00 C ATOM 0 H PHE A 79 5.108 4.252 5.360 1.00 0.00 H new ATOM 0 HA PHE A 79 6.566 5.529 3.428 1.00 0.00 H new ATOM 0 HB2 PHE A 79 5.879 3.271 3.080 1.00 0.00 H new ATOM 0 HB3 PHE A 79 4.214 3.613 3.505 1.00 0.00 H new ATOM 0 HD1 PHE A 79 6.742 4.229 0.859 1.00 0.00 H new ATOM 0 HD2 PHE A 79 2.635 4.021 1.829 1.00 0.00 H new ATOM 0 HE1 PHE A 79 6.161 4.415 -1.565 1.00 0.00 H new ATOM 0 HE2 PHE A 79 2.052 4.207 -0.595 1.00 0.00 H new ATOM 0 HZ PHE A 79 3.823 4.403 -2.263 1.00 0.00 H new ATOM 1229 N LEU A 80 3.491 6.633 3.519 1.00 0.00 N ATOM 1230 CA LEU A 80 2.606 7.680 3.037 1.00 0.00 C ATOM 1231 C LEU A 80 3.199 9.046 3.389 1.00 0.00 C ATOM 1232 O LEU A 80 3.421 9.875 2.509 1.00 0.00 O ATOM 1233 CB LEU A 80 1.187 7.469 3.570 1.00 0.00 C ATOM 1234 CG LEU A 80 0.360 6.391 2.867 1.00 0.00 C ATOM 1235 CD1 LEU A 80 -0.954 6.137 3.609 1.00 0.00 C ATOM 1236 CD2 LEU A 80 0.127 6.750 1.398 1.00 0.00 C ATOM 0 H LEU A 80 3.108 6.065 4.275 1.00 0.00 H new ATOM 0 HA LEU A 80 2.523 7.639 1.951 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.252 7.217 4.628 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.649 8.415 3.500 1.00 0.00 H new ATOM 0 HG LEU A 80 0.926 5.460 2.886 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.523 5.367 3.088 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.740 5.806 4.625 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.537 7.058 3.643 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.463 5.967 0.921 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.408 7.697 1.335 1.00 0.00 H new ATOM 0 HD23 LEU A 80 1.087 6.841 0.889 1.00 0.00 H new ATOM 1248 N GLN A 81 3.437 9.237 4.678 1.00 0.00 N ATOM 1249 CA GLN A 81 4.000 10.488 5.158 1.00 0.00 C ATOM 1250 C GLN A 81 5.298 10.806 4.412 1.00 0.00 C ATOM 1251 O GLN A 81 5.742 11.953 4.395 1.00 0.00 O ATOM 1252 CB GLN A 81 4.233 10.440 6.669 1.00 0.00 C ATOM 1253 CG GLN A 81 5.697 10.128 6.988 1.00 0.00 C ATOM 1254 CD GLN A 81 5.878 9.810 8.474 1.00 0.00 C ATOM 1255 OE1 GLN A 81 5.781 8.674 8.909 1.00 0.00 O ATOM 1256 NE2 GLN A 81 6.145 10.873 9.226 1.00 0.00 N ATOM 0 H GLN A 81 3.250 8.547 5.405 1.00 0.00 H new ATOM 0 HA GLN A 81 3.285 11.286 4.960 1.00 0.00 H new ATOM 0 HB2 GLN A 81 3.956 11.396 7.114 1.00 0.00 H new ATOM 0 HB3 GLN A 81 3.590 9.682 7.116 1.00 0.00 H new ATOM 0 HG2 GLN A 81 6.031 9.282 6.388 1.00 0.00 H new ATOM 0 HG3 GLN A 81 6.322 10.979 6.716 1.00 0.00 H new ATOM 0 HE21 GLN A 81 6.213 11.796 8.798 1.00 0.00 H new ATOM 0 HE22 GLN A 81 6.282 10.765 10.231 1.00 0.00 H new ATOM 1265 N ASP A 82 5.869 9.771 3.815 1.00 0.00 N ATOM 1266 CA ASP A 82 7.107 9.926 3.070 1.00 0.00 C ATOM 1267 C ASP A 82 6.782 10.172 1.595 1.00 0.00 C ATOM 1268 O ASP A 82 7.356 11.062 0.969 1.00 0.00 O ATOM 1269 CB ASP A 82 7.966 8.663 3.160 1.00 0.00 C ATOM 1270 CG ASP A 82 9.012 8.672 4.277 1.00 0.00 C ATOM 1271 OD1 ASP A 82 8.603 8.900 5.436 1.00 0.00 O ATOM 1272 OD2 ASP A 82 10.197 8.450 3.946 1.00 0.00 O ATOM 0 H ASP A 82 5.497 8.821 3.832 1.00 0.00 H new ATOM 0 HA ASP A 82 7.655 10.766 3.497 1.00 0.00 H new ATOM 0 HB2 ASP A 82 7.310 7.805 3.304 1.00 0.00 H new ATOM 0 HB3 ASP A 82 8.475 8.519 2.207 1.00 0.00 H new ATOM 1277 N VAL A 83 5.862 9.368 1.083 1.00 0.00 N ATOM 1278 CA VAL A 83 5.454 9.487 -0.307 1.00 0.00 C ATOM 1279 C VAL A 83 4.745 10.828 -0.512 1.00 0.00 C ATOM 1280 O VAL A 83 4.589 11.284 -1.644 1.00 0.00 O ATOM 1281 CB VAL A 83 4.591 8.288 -0.704 1.00 0.00 C ATOM 1282 CG1 VAL A 83 3.108 8.574 -0.457 1.00 0.00 C ATOM 1283 CG2 VAL A 83 4.838 7.893 -2.161 1.00 0.00 C ATOM 0 H VAL A 83 5.387 8.632 1.605 1.00 0.00 H new ATOM 0 HA VAL A 83 6.324 9.475 -0.963 1.00 0.00 H new ATOM 0 HB VAL A 83 4.879 7.445 -0.075 1.00 0.00 H new ATOM 0 HG11 VAL A 83 2.517 7.706 -0.748 1.00 0.00 H new ATOM 0 HG12 VAL A 83 2.949 8.784 0.601 1.00 0.00 H new ATOM 0 HG13 VAL A 83 2.800 9.437 -1.048 1.00 0.00 H new ATOM 0 HG21 VAL A 83 4.212 7.038 -2.417 1.00 0.00 H new ATOM 0 HG22 VAL A 83 4.591 8.732 -2.812 1.00 0.00 H new ATOM 0 HG23 VAL A 83 5.887 7.627 -2.293 1.00 0.00 H new ATOM 1293 N SER A 84 4.335 11.421 0.599 1.00 0.00 N ATOM 1294 CA SER A 84 3.647 12.700 0.555 1.00 0.00 C ATOM 1295 C SER A 84 4.579 13.812 1.039 1.00 0.00 C ATOM 1296 O SER A 84 4.177 14.972 1.119 1.00 0.00 O ATOM 1297 CB SER A 84 2.373 12.669 1.402 1.00 0.00 C ATOM 1298 OG SER A 84 1.407 13.613 0.947 1.00 0.00 O ATOM 0 H SER A 84 4.466 11.039 1.536 1.00 0.00 H new ATOM 0 HA SER A 84 3.360 12.899 -0.478 1.00 0.00 H new ATOM 0 HB2 SER A 84 1.943 11.668 1.374 1.00 0.00 H new ATOM 0 HB3 SER A 84 2.624 12.879 2.442 1.00 0.00 H new ATOM 0 HG SER A 84 0.508 13.299 1.180 1.00 0.00 H new ATOM 1304 N ALA A 85 5.806 13.420 1.349 1.00 0.00 N ATOM 1305 CA ALA A 85 6.798 14.370 1.823 1.00 0.00 C ATOM 1306 C ALA A 85 8.184 13.726 1.761 1.00 0.00 C ATOM 1307 O ALA A 85 8.833 13.540 2.789 1.00 0.00 O ATOM 1308 CB ALA A 85 6.431 14.829 3.236 1.00 0.00 C ATOM 0 H ALA A 85 6.136 12.457 1.281 1.00 0.00 H new ATOM 0 HA ALA A 85 6.817 15.255 1.187 1.00 0.00 H new ATOM 0 HB1 ALA A 85 7.175 15.542 3.592 1.00 0.00 H new ATOM 0 HB2 ALA A 85 5.451 15.305 3.221 1.00 0.00 H new ATOM 0 HB3 ALA A 85 6.406 13.968 3.903 1.00 0.00 H new ATOM 1314 N SER A 86 8.598 13.403 0.544 1.00 0.00 N ATOM 1315 CA SER A 86 9.896 12.784 0.334 1.00 0.00 C ATOM 1316 C SER A 86 10.224 12.750 -1.160 1.00 0.00 C ATOM 1317 O SER A 86 9.435 12.251 -1.961 1.00 0.00 O ATOM 1318 CB SER A 86 9.932 11.371 0.918 1.00 0.00 C ATOM 1319 OG SER A 86 11.265 10.920 1.142 1.00 0.00 O ATOM 0 H SER A 86 8.057 13.558 -0.307 1.00 0.00 H new ATOM 0 HA SER A 86 10.648 13.381 0.850 1.00 0.00 H new ATOM 0 HB2 SER A 86 9.380 11.353 1.858 1.00 0.00 H new ATOM 0 HB3 SER A 86 9.426 10.685 0.239 1.00 0.00 H new ATOM 0 HG SER A 86 11.246 10.088 1.660 1.00 0.00 H new ATOM 1325 N THR A 87 11.389 13.287 -1.490 1.00 0.00 N ATOM 1326 CA THR A 87 11.831 13.325 -2.873 1.00 0.00 C ATOM 1327 C THR A 87 12.610 12.054 -3.219 1.00 0.00 C ATOM 1328 O THR A 87 13.644 12.116 -3.883 1.00 0.00 O ATOM 1329 CB THR A 87 12.640 14.607 -3.077 1.00 0.00 C ATOM 1330 OG1 THR A 87 13.903 14.319 -2.482 1.00 0.00 O ATOM 1331 CG2 THR A 87 12.099 15.778 -2.253 1.00 0.00 C ATOM 0 H THR A 87 12.041 13.700 -0.823 1.00 0.00 H new ATOM 0 HA THR A 87 10.983 13.346 -3.558 1.00 0.00 H new ATOM 0 HB THR A 87 12.636 14.874 -4.134 1.00 0.00 H new ATOM 0 HG1 THR A 87 14.395 13.688 -3.048 1.00 0.00 H new ATOM 0 HG21 THR A 87 12.709 16.663 -2.434 1.00 0.00 H new ATOM 0 HG22 THR A 87 11.068 15.982 -2.543 1.00 0.00 H new ATOM 0 HG23 THR A 87 12.134 15.524 -1.194 1.00 0.00 H new ATOM 1339 N LYS A 88 12.083 10.931 -2.753 1.00 0.00 N ATOM 1340 CA LYS A 88 12.716 9.647 -3.005 1.00 0.00 C ATOM 1341 C LYS A 88 11.872 8.854 -4.004 1.00 0.00 C ATOM 1342 O LYS A 88 10.644 8.918 -3.973 1.00 0.00 O ATOM 1343 CB LYS A 88 12.969 8.907 -1.689 1.00 0.00 C ATOM 1344 CG LYS A 88 14.009 9.640 -0.839 1.00 0.00 C ATOM 1345 CD LYS A 88 15.410 9.073 -1.078 1.00 0.00 C ATOM 1346 CE LYS A 88 16.009 8.528 0.220 1.00 0.00 C ATOM 1347 NZ LYS A 88 17.433 8.915 0.336 1.00 0.00 N ATOM 0 H LYS A 88 11.225 10.883 -2.203 1.00 0.00 H new ATOM 0 HA LYS A 88 13.697 9.788 -3.458 1.00 0.00 H new ATOM 0 HB2 LYS A 88 12.036 8.818 -1.132 1.00 0.00 H new ATOM 0 HB3 LYS A 88 13.313 7.894 -1.898 1.00 0.00 H new ATOM 0 HG2 LYS A 88 13.997 10.703 -1.080 1.00 0.00 H new ATOM 0 HG3 LYS A 88 13.751 9.549 0.216 1.00 0.00 H new ATOM 0 HD2 LYS A 88 15.363 8.278 -1.823 1.00 0.00 H new ATOM 0 HD3 LYS A 88 16.057 9.851 -1.483 1.00 0.00 H new ATOM 0 HE2 LYS A 88 15.451 8.912 1.074 1.00 0.00 H new ATOM 0 HE3 LYS A 88 15.918 7.442 0.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 17.824 8.537 1.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 17.965 8.528 -0.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 17.512 9.952 0.337 1.00 0.00 H new ATOM 1361 N SER A 89 12.563 8.124 -4.867 1.00 0.00 N ATOM 1362 CA SER A 89 11.892 7.320 -5.873 1.00 0.00 C ATOM 1363 C SER A 89 11.051 6.234 -5.200 1.00 0.00 C ATOM 1364 O SER A 89 11.509 5.579 -4.265 1.00 0.00 O ATOM 1365 CB SER A 89 12.900 6.689 -6.836 1.00 0.00 C ATOM 1366 OG SER A 89 13.944 7.594 -7.185 1.00 0.00 O ATOM 0 H SER A 89 13.581 8.073 -4.890 1.00 0.00 H new ATOM 0 HA SER A 89 11.237 7.972 -6.451 1.00 0.00 H new ATOM 0 HB2 SER A 89 13.330 5.798 -6.378 1.00 0.00 H new ATOM 0 HB3 SER A 89 12.384 6.365 -7.740 1.00 0.00 H new ATOM 0 HG SER A 89 14.567 7.153 -7.799 1.00 0.00 H new ATOM 1372 N LEU A 90 9.834 6.077 -5.701 1.00 0.00 N ATOM 1373 CA LEU A 90 8.925 5.081 -5.159 1.00 0.00 C ATOM 1374 C LEU A 90 9.704 3.804 -4.841 1.00 0.00 C ATOM 1375 O LEU A 90 9.776 3.387 -3.686 1.00 0.00 O ATOM 1376 CB LEU A 90 7.744 4.862 -6.107 1.00 0.00 C ATOM 1377 CG LEU A 90 6.531 5.768 -5.888 1.00 0.00 C ATOM 1378 CD1 LEU A 90 6.086 5.745 -4.425 1.00 0.00 C ATOM 1379 CD2 LEU A 90 6.812 7.189 -6.380 1.00 0.00 C ATOM 0 H LEU A 90 9.457 6.622 -6.476 1.00 0.00 H new ATOM 0 HA LEU A 90 8.491 5.431 -4.222 1.00 0.00 H new ATOM 0 HB2 LEU A 90 8.095 4.999 -7.130 1.00 0.00 H new ATOM 0 HB3 LEU A 90 7.419 3.825 -6.017 1.00 0.00 H new ATOM 0 HG LEU A 90 5.703 5.380 -6.482 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.222 6.397 -4.297 1.00 0.00 H new ATOM 0 HD12 LEU A 90 5.817 4.727 -4.142 1.00 0.00 H new ATOM 0 HD13 LEU A 90 6.901 6.094 -3.791 1.00 0.00 H new ATOM 0 HD21 LEU A 90 5.934 7.812 -6.213 1.00 0.00 H new ATOM 0 HD22 LEU A 90 7.660 7.602 -5.834 1.00 0.00 H new ATOM 0 HD23 LEU A 90 7.043 7.166 -7.445 1.00 0.00 H new ATOM 1391 N GLN A 91 10.268 3.217 -5.887 1.00 0.00 N ATOM 1392 CA GLN A 91 11.040 1.996 -5.734 1.00 0.00 C ATOM 1393 C GLN A 91 11.872 2.050 -4.451 1.00 0.00 C ATOM 1394 O GLN A 91 11.948 1.069 -3.714 1.00 0.00 O ATOM 1395 CB GLN A 91 11.929 1.752 -6.955 1.00 0.00 C ATOM 1396 CG GLN A 91 11.527 0.465 -7.678 1.00 0.00 C ATOM 1397 CD GLN A 91 12.537 -0.653 -7.409 1.00 0.00 C ATOM 1398 OE1 GLN A 91 13.683 -0.419 -7.062 1.00 0.00 O ATOM 1399 NE2 GLN A 91 12.049 -1.877 -7.588 1.00 0.00 N ATOM 0 H GLN A 91 10.205 3.565 -6.844 1.00 0.00 H new ATOM 0 HA GLN A 91 10.346 1.159 -5.658 1.00 0.00 H new ATOM 0 HB2 GLN A 91 11.853 2.597 -7.639 1.00 0.00 H new ATOM 0 HB3 GLN A 91 12.971 1.688 -6.643 1.00 0.00 H new ATOM 0 HG2 GLN A 91 10.536 0.152 -7.348 1.00 0.00 H new ATOM 0 HG3 GLN A 91 11.462 0.651 -8.750 1.00 0.00 H new ATOM 0 HE21 GLN A 91 11.080 -2.002 -7.879 1.00 0.00 H new ATOM 0 HE22 GLN A 91 12.644 -2.691 -7.434 1.00 0.00 H new ATOM 1408 N GLU A 92 12.475 3.208 -4.224 1.00 0.00 N ATOM 1409 CA GLU A 92 13.299 3.404 -3.043 1.00 0.00 C ATOM 1410 C GLU A 92 12.424 3.470 -1.790 1.00 0.00 C ATOM 1411 O GLU A 92 12.642 2.726 -0.836 1.00 0.00 O ATOM 1412 CB GLU A 92 14.160 4.661 -3.178 1.00 0.00 C ATOM 1413 CG GLU A 92 15.197 4.499 -4.292 1.00 0.00 C ATOM 1414 CD GLU A 92 16.564 4.121 -3.718 1.00 0.00 C ATOM 1415 OE1 GLU A 92 16.675 2.977 -3.225 1.00 0.00 O ATOM 1416 OE2 GLU A 92 17.466 4.983 -3.784 1.00 0.00 O ATOM 0 H GLU A 92 12.409 4.020 -4.838 1.00 0.00 H new ATOM 0 HA GLU A 92 13.972 2.552 -2.948 1.00 0.00 H new ATOM 0 HB2 GLU A 92 13.524 5.520 -3.390 1.00 0.00 H new ATOM 0 HB3 GLU A 92 14.665 4.864 -2.233 1.00 0.00 H new ATOM 0 HG2 GLU A 92 14.867 3.731 -4.992 1.00 0.00 H new ATOM 0 HG3 GLU A 92 15.279 5.429 -4.855 1.00 0.00 H new ATOM 1423 N LEU A 93 11.451 4.368 -1.834 1.00 0.00 N ATOM 1424 CA LEU A 93 10.541 4.541 -0.714 1.00 0.00 C ATOM 1425 C LEU A 93 10.033 3.172 -0.259 1.00 0.00 C ATOM 1426 O LEU A 93 10.032 2.872 0.934 1.00 0.00 O ATOM 1427 CB LEU A 93 9.424 5.522 -1.078 1.00 0.00 C ATOM 1428 CG LEU A 93 9.793 7.006 -1.032 1.00 0.00 C ATOM 1429 CD1 LEU A 93 8.653 7.871 -1.572 1.00 0.00 C ATOM 1430 CD2 LEU A 93 10.212 7.424 0.379 1.00 0.00 C ATOM 0 H LEU A 93 11.273 4.984 -2.627 1.00 0.00 H new ATOM 0 HA LEU A 93 11.061 4.986 0.134 1.00 0.00 H new ATOM 0 HB2 LEU A 93 9.074 5.286 -2.083 1.00 0.00 H new ATOM 0 HB3 LEU A 93 8.586 5.355 -0.401 1.00 0.00 H new ATOM 0 HG LEU A 93 10.653 7.164 -1.683 1.00 0.00 H new ATOM 0 HD11 LEU A 93 8.941 8.921 -1.528 1.00 0.00 H new ATOM 0 HD12 LEU A 93 8.445 7.595 -2.606 1.00 0.00 H new ATOM 0 HD13 LEU A 93 7.760 7.714 -0.968 1.00 0.00 H new ATOM 0 HD21 LEU A 93 10.469 8.483 0.383 1.00 0.00 H new ATOM 0 HD22 LEU A 93 9.388 7.248 1.070 1.00 0.00 H new ATOM 0 HD23 LEU A 93 11.078 6.839 0.690 1.00 0.00 H new ATOM 1442 N PHE A 94 9.614 2.378 -1.233 1.00 0.00 N ATOM 1443 CA PHE A 94 9.105 1.047 -0.947 1.00 0.00 C ATOM 1444 C PHE A 94 10.123 0.230 -0.150 1.00 0.00 C ATOM 1445 O PHE A 94 9.807 -0.291 0.919 1.00 0.00 O ATOM 1446 CB PHE A 94 8.862 0.363 -2.294 1.00 0.00 C ATOM 1447 CG PHE A 94 7.849 1.085 -3.185 1.00 0.00 C ATOM 1448 CD1 PHE A 94 6.895 1.878 -2.626 1.00 0.00 C ATOM 1449 CD2 PHE A 94 7.902 0.933 -4.535 1.00 0.00 C ATOM 1450 CE1 PHE A 94 5.955 2.548 -3.453 1.00 0.00 C ATOM 1451 CE2 PHE A 94 6.962 1.603 -5.362 1.00 0.00 C ATOM 1452 CZ PHE A 94 6.008 2.396 -4.804 1.00 0.00 C ATOM 0 H PHE A 94 9.616 2.630 -2.221 1.00 0.00 H new ATOM 0 HA PHE A 94 8.192 1.117 -0.355 1.00 0.00 H new ATOM 0 HB2 PHE A 94 9.810 0.286 -2.827 1.00 0.00 H new ATOM 0 HB3 PHE A 94 8.513 -0.654 -2.116 1.00 0.00 H new ATOM 0 HD1 PHE A 94 6.853 1.998 -1.554 1.00 0.00 H new ATOM 0 HD2 PHE A 94 8.659 0.303 -4.978 1.00 0.00 H new ATOM 0 HE1 PHE A 94 5.198 3.178 -3.010 1.00 0.00 H new ATOM 0 HE2 PHE A 94 7.005 1.483 -6.434 1.00 0.00 H new ATOM 0 HZ PHE A 94 5.293 2.905 -5.433 1.00 0.00 H new ATOM 1462 N LEU A 95 11.326 0.144 -0.700 1.00 0.00 N ATOM 1463 CA LEU A 95 12.393 -0.601 -0.053 1.00 0.00 C ATOM 1464 C LEU A 95 12.777 0.097 1.253 1.00 0.00 C ATOM 1465 O LEU A 95 13.240 -0.548 2.193 1.00 0.00 O ATOM 1466 CB LEU A 95 13.567 -0.798 -1.013 1.00 0.00 C ATOM 1467 CG LEU A 95 13.517 -2.054 -1.885 1.00 0.00 C ATOM 1468 CD1 LEU A 95 14.074 -1.775 -3.282 1.00 0.00 C ATOM 1469 CD2 LEU A 95 14.234 -3.223 -1.206 1.00 0.00 C ATOM 0 H LEU A 95 11.585 0.578 -1.586 1.00 0.00 H new ATOM 0 HA LEU A 95 12.054 -1.603 0.209 1.00 0.00 H new ATOM 0 HB2 LEU A 95 13.626 0.072 -1.667 1.00 0.00 H new ATOM 0 HB3 LEU A 95 14.488 -0.821 -0.430 1.00 0.00 H new ATOM 0 HG LEU A 95 12.473 -2.343 -2.006 1.00 0.00 H new ATOM 0 HD11 LEU A 95 14.027 -2.684 -3.881 1.00 0.00 H new ATOM 0 HD12 LEU A 95 13.482 -0.994 -3.760 1.00 0.00 H new ATOM 0 HD13 LEU A 95 15.110 -1.447 -3.202 1.00 0.00 H new ATOM 0 HD21 LEU A 95 14.183 -4.103 -1.847 1.00 0.00 H new ATOM 0 HD22 LEU A 95 15.277 -2.959 -1.034 1.00 0.00 H new ATOM 0 HD23 LEU A 95 13.753 -3.441 -0.253 1.00 0.00 H new ATOM 1481 N ALA A 96 12.571 1.405 1.271 1.00 0.00 N ATOM 1482 CA ALA A 96 12.890 2.198 2.446 1.00 0.00 C ATOM 1483 C ALA A 96 11.794 2.007 3.497 1.00 0.00 C ATOM 1484 O ALA A 96 11.923 2.480 4.625 1.00 0.00 O ATOM 1485 CB ALA A 96 13.062 3.663 2.043 1.00 0.00 C ATOM 0 H ALA A 96 12.187 1.936 0.490 1.00 0.00 H new ATOM 0 HA ALA A 96 13.831 1.869 2.887 1.00 0.00 H new ATOM 0 HB1 ALA A 96 13.301 4.257 2.925 1.00 0.00 H new ATOM 0 HB2 ALA A 96 13.871 3.748 1.318 1.00 0.00 H new ATOM 0 HB3 ALA A 96 12.136 4.029 1.599 1.00 0.00 H new ATOM 1491 N HIS A 97 10.742 1.313 3.089 1.00 0.00 N ATOM 1492 CA HIS A 97 9.625 1.054 3.982 1.00 0.00 C ATOM 1493 C HIS A 97 8.958 -0.269 3.599 1.00 0.00 C ATOM 1494 O HIS A 97 7.736 -0.394 3.665 1.00 0.00 O ATOM 1495 CB HIS A 97 8.648 2.231 3.985 1.00 0.00 C ATOM 1496 CG HIS A 97 9.276 3.551 4.365 1.00 0.00 C ATOM 1497 ND1 HIS A 97 9.495 3.925 5.680 1.00 0.00 N ATOM 1498 CD2 HIS A 97 9.731 4.578 3.592 1.00 0.00 C ATOM 1499 CE1 HIS A 97 10.056 5.125 5.685 1.00 0.00 C ATOM 1500 NE2 HIS A 97 10.201 5.528 4.390 1.00 0.00 N ATOM 0 H HIS A 97 10.639 0.922 2.152 1.00 0.00 H new ATOM 0 HA HIS A 97 9.988 0.955 5.005 1.00 0.00 H new ATOM 0 HB2 HIS A 97 8.204 2.324 2.994 1.00 0.00 H new ATOM 0 HB3 HIS A 97 7.836 2.014 4.679 1.00 0.00 H new ATOM 0 HD2 HIS A 97 9.712 4.612 2.513 1.00 0.00 H new ATOM 0 HE1 HIS A 97 10.347 5.686 6.561 1.00 0.00 H new ATOM 0 HE2 HIS A 97 10.604 6.414 4.085 1.00 0.00 H new ATOM 1508 N ILE A 98 9.791 -1.222 3.207 1.00 0.00 N ATOM 1509 CA ILE A 98 9.297 -2.531 2.814 1.00 0.00 C ATOM 1510 C ILE A 98 9.143 -3.408 4.058 1.00 0.00 C ATOM 1511 O ILE A 98 10.110 -3.639 4.783 1.00 0.00 O ATOM 1512 CB ILE A 98 10.197 -3.142 1.738 1.00 0.00 C ATOM 1513 CG1 ILE A 98 9.525 -4.349 1.081 1.00 0.00 C ATOM 1514 CG2 ILE A 98 11.573 -3.493 2.309 1.00 0.00 C ATOM 1515 CD1 ILE A 98 9.136 -4.039 -0.366 1.00 0.00 C ATOM 0 H ILE A 98 10.804 -1.114 3.153 1.00 0.00 H new ATOM 0 HA ILE A 98 8.310 -2.445 2.360 1.00 0.00 H new ATOM 0 HB ILE A 98 10.352 -2.396 0.959 1.00 0.00 H new ATOM 0 HG12 ILE A 98 10.201 -5.204 1.105 1.00 0.00 H new ATOM 0 HG13 ILE A 98 8.637 -4.629 1.648 1.00 0.00 H new ATOM 0 HG21 ILE A 98 12.193 -3.926 1.524 1.00 0.00 H new ATOM 0 HG22 ILE A 98 12.049 -2.590 2.692 1.00 0.00 H new ATOM 0 HG23 ILE A 98 11.458 -4.214 3.119 1.00 0.00 H new ATOM 0 HD11 ILE A 98 8.660 -4.913 -0.810 1.00 0.00 H new ATOM 0 HD12 ILE A 98 8.441 -3.199 -0.384 1.00 0.00 H new ATOM 0 HD13 ILE A 98 10.029 -3.783 -0.936 1.00 0.00 H new ATOM 1527 N LEU A 99 7.920 -3.873 4.268 1.00 0.00 N ATOM 1528 CA LEU A 99 7.627 -4.720 5.412 1.00 0.00 C ATOM 1529 C LEU A 99 7.692 -6.187 4.984 1.00 0.00 C ATOM 1530 O LEU A 99 7.975 -7.063 5.800 1.00 0.00 O ATOM 1531 CB LEU A 99 6.293 -4.322 6.045 1.00 0.00 C ATOM 1532 CG LEU A 99 6.215 -2.902 6.609 1.00 0.00 C ATOM 1533 CD1 LEU A 99 4.805 -2.588 7.113 1.00 0.00 C ATOM 1534 CD2 LEU A 99 7.273 -2.683 7.693 1.00 0.00 C ATOM 0 H LEU A 99 7.120 -3.679 3.665 1.00 0.00 H new ATOM 0 HA LEU A 99 8.377 -4.582 6.191 1.00 0.00 H new ATOM 0 HB2 LEU A 99 5.509 -4.438 5.296 1.00 0.00 H new ATOM 0 HB3 LEU A 99 6.071 -5.024 6.849 1.00 0.00 H new ATOM 0 HG LEU A 99 6.431 -2.202 5.802 1.00 0.00 H new ATOM 0 HD11 LEU A 99 4.778 -1.573 7.509 1.00 0.00 H new ATOM 0 HD12 LEU A 99 4.096 -2.676 6.290 1.00 0.00 H new ATOM 0 HD13 LEU A 99 4.535 -3.292 7.901 1.00 0.00 H new ATOM 0 HD21 LEU A 99 7.195 -1.666 8.077 1.00 0.00 H new ATOM 0 HD22 LEU A 99 7.113 -3.391 8.506 1.00 0.00 H new ATOM 0 HD23 LEU A 99 8.265 -2.836 7.269 1.00 0.00 H new ATOM 1546 N SER A 100 7.424 -6.410 3.706 1.00 0.00 N ATOM 1547 CA SER A 100 7.448 -7.757 3.160 1.00 0.00 C ATOM 1548 C SER A 100 8.798 -8.027 2.493 1.00 0.00 C ATOM 1549 O SER A 100 9.627 -7.126 2.374 1.00 0.00 O ATOM 1550 CB SER A 100 6.310 -7.966 2.159 1.00 0.00 C ATOM 1551 OG SER A 100 6.372 -7.038 1.079 1.00 0.00 O ATOM 0 H SER A 100 7.189 -5.681 3.032 1.00 0.00 H new ATOM 0 HA SER A 100 7.308 -8.461 3.980 1.00 0.00 H new ATOM 0 HB2 SER A 100 6.354 -8.982 1.767 1.00 0.00 H new ATOM 0 HB3 SER A 100 5.353 -7.863 2.671 1.00 0.00 H new ATOM 0 HG SER A 100 6.147 -7.495 0.242 1.00 0.00 H new ATOM 1557 N SER A 101 8.978 -9.272 2.076 1.00 0.00 N ATOM 1558 CA SER A 101 10.213 -9.672 1.424 1.00 0.00 C ATOM 1559 C SER A 101 9.972 -9.878 -0.073 1.00 0.00 C ATOM 1560 O SER A 101 10.893 -10.222 -0.812 1.00 0.00 O ATOM 1561 CB SER A 101 10.778 -10.949 2.051 1.00 0.00 C ATOM 1562 OG SER A 101 12.132 -10.787 2.464 1.00 0.00 O ATOM 0 H SER A 101 8.289 -10.017 2.177 1.00 0.00 H new ATOM 0 HA SER A 101 10.945 -8.877 1.561 1.00 0.00 H new ATOM 0 HB2 SER A 101 10.169 -11.232 2.909 1.00 0.00 H new ATOM 0 HB3 SER A 101 10.714 -11.765 1.332 1.00 0.00 H new ATOM 0 HG SER A 101 12.455 -11.623 2.860 1.00 0.00 H new ATOM 1568 N TRP A 102 8.729 -9.658 -0.475 1.00 0.00 N ATOM 1569 CA TRP A 102 8.356 -9.814 -1.871 1.00 0.00 C ATOM 1570 C TRP A 102 7.997 -8.433 -2.422 1.00 0.00 C ATOM 1571 O TRP A 102 8.339 -7.414 -1.824 1.00 0.00 O ATOM 1572 CB TRP A 102 7.224 -10.832 -2.024 1.00 0.00 C ATOM 1573 CG TRP A 102 5.875 -10.348 -1.490 1.00 0.00 C ATOM 1574 CD1 TRP A 102 4.922 -9.670 -2.146 1.00 0.00 C ATOM 1575 CD2 TRP A 102 5.362 -10.533 -0.154 1.00 0.00 C ATOM 1576 NE1 TRP A 102 3.839 -9.406 -1.334 1.00 0.00 N ATOM 1577 CE2 TRP A 102 4.115 -9.947 -0.083 1.00 0.00 C ATOM 1578 CE3 TRP A 102 5.935 -11.174 0.959 1.00 0.00 C ATOM 1579 CZ2 TRP A 102 3.334 -9.944 1.078 1.00 0.00 C ATOM 1580 CZ3 TRP A 102 5.141 -11.162 2.113 1.00 0.00 C ATOM 1581 CH2 TRP A 102 3.883 -10.577 2.200 1.00 0.00 C ATOM 0 H TRP A 102 7.968 -9.373 0.141 1.00 0.00 H new ATOM 0 HA TRP A 102 9.188 -10.214 -2.451 1.00 0.00 H new ATOM 0 HB2 TRP A 102 7.116 -11.084 -3.079 1.00 0.00 H new ATOM 0 HB3 TRP A 102 7.501 -11.749 -1.504 1.00 0.00 H new ATOM 0 HD1 TRP A 102 4.994 -9.368 -3.181 1.00 0.00 H new ATOM 0 HE1 TRP A 102 2.991 -8.906 -1.602 1.00 0.00 H new ATOM 0 HE3 TRP A 102 6.909 -11.638 0.927 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 2.360 -9.478 1.107 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 5.534 -11.641 2.998 1.00 0.00 H new ATOM 0 HH2 TRP A 102 3.332 -10.611 3.128 1.00 0.00 H new ATOM 1592 N GLY A 103 7.311 -8.443 -3.556 1.00 0.00 N ATOM 1593 CA GLY A 103 6.902 -7.204 -4.194 1.00 0.00 C ATOM 1594 C GLY A 103 8.006 -6.667 -5.107 1.00 0.00 C ATOM 1595 O GLY A 103 8.460 -5.536 -4.939 1.00 0.00 O ATOM 0 H GLY A 103 7.028 -9.290 -4.049 1.00 0.00 H new ATOM 0 HA2 GLY A 103 5.995 -7.372 -4.774 1.00 0.00 H new ATOM 0 HA3 GLY A 103 6.661 -6.461 -3.433 1.00 0.00 H new