USER MOD reduce.3.24.130724 H: found=0, std=0, add=656, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 647 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 69 GLN : amide:sc= -3.39 X(o=-6.3,f=-6.6!) USER MOD Set 1.2: A 89 GLN : amide:sc= -2.89! C(o=-6.3!,f=-8.2!) USER MOD Set 2.1: A 52 ASN : amide:sc= -3.32! C(o=-3.3!,f=-8.2!) USER MOD Set 2.2: A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.0485 USER MOD Single : A 11 ASN : amide:sc= -0.886 K(o=-0.89,f=-3.1!) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 LYS NZ :NH3+ 148:sc= -0.0142 (180deg=-1.19) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 34 HIS : no HE2:sc= -2! C(o=-2!,f=-4.4!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot -35:sc= 0.357 USER MOD Single : A 50 GLN : amide:sc= -1.2 K(o=-1.2,f=-2.9!) USER MOD Single : A 54 HIS :FLIP no HD1:sc= -0.643 F(o=-1.2,f=-0.64) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 158:sc= -0.217 (180deg=-0.946) USER MOD Single : A 62 GLN : amide:sc= -0.521 X(o=-0.52,f=-0.28) USER MOD Single : A 67 LYS NZ :NH3+ 156:sc= -0.094 (180deg=-0.61) USER MOD Single : A 68 SER OG : rot 24:sc= 0.617! USER MOD Single : A 74 LYS NZ :NH3+ -140:sc= -3.17! (180deg=-5.5!) USER MOD Single : A 80 HIS :FLIP no HD1:sc= -0.999 F(o=-2.2!,f=-1) USER MOD Single : A 81 LYS NZ :NH3+ 178:sc= -7.01! (180deg=-7.37!) USER MOD Single : A 82 GLN : amide:sc= -0.78 X(o=-0.78,f=-0.72) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 ASN :FLIP amide:sc= -0.632 F(o=-1.5,f=-0.63) USER MOD Single : A 90 GLN : amide:sc= -1.27 K(o=-1.3,f=-2) USER MOD ----------------------------------------------------------------- ATOM 83 N ALA A 7 -3.812 9.116 -1.802 1.00 0.00 N ATOM 84 CA ALA A 7 -3.844 7.683 -1.556 1.00 0.00 C ATOM 85 C ALA A 7 -2.879 7.349 -0.442 1.00 0.00 C ATOM 86 O ALA A 7 -3.216 6.630 0.501 1.00 0.00 O ATOM 87 CB ALA A 7 -3.454 6.921 -2.822 1.00 0.00 C ATOM 0 HA ALA A 7 -4.854 7.390 -1.269 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -3.482 5.849 -2.625 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -4.155 7.161 -3.622 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -2.447 7.208 -3.124 1.00 0.00 H new ATOM 93 N VAL A 8 -1.671 7.888 -0.563 1.00 0.00 N ATOM 94 CA VAL A 8 -0.650 7.656 0.434 1.00 0.00 C ATOM 95 C VAL A 8 -0.705 8.741 1.509 1.00 0.00 C ATOM 96 O VAL A 8 -0.861 9.925 1.201 1.00 0.00 O ATOM 97 CB VAL A 8 0.739 7.625 -0.220 1.00 0.00 C ATOM 98 CG1 VAL A 8 0.698 6.745 -1.473 1.00 0.00 C ATOM 99 CG2 VAL A 8 1.167 9.044 -0.614 1.00 0.00 C ATOM 0 H VAL A 8 -1.382 8.484 -1.339 1.00 0.00 H new ATOM 0 HA VAL A 8 -0.835 6.689 0.903 1.00 0.00 H new ATOM 0 HB VAL A 8 1.456 7.217 0.493 1.00 0.00 H new ATOM 0 HG11 VAL A 8 1.685 6.724 -1.936 1.00 0.00 H new ATOM 0 HG12 VAL A 8 0.406 5.732 -1.197 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -0.026 7.152 -2.180 1.00 0.00 H new ATOM 0 HG21 VAL A 8 2.153 9.011 -1.077 1.00 0.00 H new ATOM 0 HG22 VAL A 8 0.448 9.458 -1.321 1.00 0.00 H new ATOM 0 HG23 VAL A 8 1.204 9.673 0.275 1.00 0.00 H new ATOM 109 N THR A 9 -0.580 8.330 2.766 1.00 0.00 N ATOM 110 CA THR A 9 -0.616 9.275 3.880 1.00 0.00 C ATOM 111 C THR A 9 0.346 8.841 4.979 1.00 0.00 C ATOM 112 O THR A 9 0.267 7.716 5.468 1.00 0.00 O ATOM 113 CB THR A 9 -2.034 9.367 4.456 1.00 0.00 C ATOM 114 OG1 THR A 9 -2.984 9.170 3.416 1.00 0.00 O ATOM 115 CG2 THR A 9 -2.243 10.746 5.091 1.00 0.00 C ATOM 0 H THR A 9 -0.454 7.356 3.040 1.00 0.00 H new ATOM 0 HA THR A 9 -0.314 10.253 3.505 1.00 0.00 H new ATOM 0 HB THR A 9 -2.166 8.597 5.216 1.00 0.00 H new ATOM 0 HG1 THR A 9 -3.890 9.227 3.785 1.00 0.00 H new ATOM 0 HG21 THR A 9 -3.251 10.809 5.500 1.00 0.00 H new ATOM 0 HG22 THR A 9 -1.517 10.892 5.891 1.00 0.00 H new ATOM 0 HG23 THR A 9 -2.109 11.519 4.334 1.00 0.00 H new ATOM 123 N VAL A 10 1.248 9.739 5.371 1.00 0.00 N ATOM 124 CA VAL A 10 2.213 9.430 6.422 1.00 0.00 C ATOM 125 C VAL A 10 1.546 9.529 7.791 1.00 0.00 C ATOM 126 O VAL A 10 0.479 10.131 7.928 1.00 0.00 O ATOM 127 CB VAL A 10 3.401 10.402 6.357 1.00 0.00 C ATOM 128 CG1 VAL A 10 4.428 10.041 7.438 1.00 0.00 C ATOM 129 CG2 VAL A 10 4.065 10.311 4.981 1.00 0.00 C ATOM 0 H VAL A 10 1.330 10.678 4.980 1.00 0.00 H new ATOM 0 HA VAL A 10 2.576 8.413 6.271 1.00 0.00 H new ATOM 0 HB VAL A 10 3.040 11.417 6.523 1.00 0.00 H new ATOM 0 HG11 VAL A 10 5.268 10.733 7.387 1.00 0.00 H new ATOM 0 HG12 VAL A 10 3.961 10.108 8.421 1.00 0.00 H new ATOM 0 HG13 VAL A 10 4.785 9.024 7.275 1.00 0.00 H new ATOM 0 HG21 VAL A 10 4.907 11.001 4.937 1.00 0.00 H new ATOM 0 HG22 VAL A 10 4.420 9.294 4.815 1.00 0.00 H new ATOM 0 HG23 VAL A 10 3.341 10.573 4.210 1.00 0.00 H new ATOM 139 N ASN A 11 2.180 8.936 8.796 1.00 0.00 N ATOM 140 CA ASN A 11 1.645 8.961 10.152 1.00 0.00 C ATOM 141 C ASN A 11 2.781 8.977 11.171 1.00 0.00 C ATOM 142 O ASN A 11 3.955 9.050 10.802 1.00 0.00 O ATOM 143 CB ASN A 11 0.750 7.739 10.386 1.00 0.00 C ATOM 144 CG ASN A 11 -0.644 7.999 9.822 1.00 0.00 C ATOM 145 OD1 ASN A 11 -1.127 7.238 8.985 1.00 0.00 O ATOM 146 ND2 ASN A 11 -1.321 9.035 10.236 1.00 0.00 N ATOM 0 H ASN A 11 3.062 8.434 8.698 1.00 0.00 H new ATOM 0 HA ASN A 11 1.051 9.867 10.276 1.00 0.00 H new ATOM 0 HB2 ASN A 11 1.187 6.861 9.909 1.00 0.00 H new ATOM 0 HB3 ASN A 11 0.686 7.524 11.453 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -2.254 9.216 9.865 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -0.917 9.664 10.930 1.00 0.00 H new ATOM 153 N ASP A 12 2.421 8.916 12.450 1.00 0.00 N ATOM 154 CA ASP A 12 3.412 8.930 13.520 1.00 0.00 C ATOM 155 C ASP A 12 4.523 7.922 13.240 1.00 0.00 C ATOM 156 O ASP A 12 5.688 8.297 13.104 1.00 0.00 O ATOM 157 CB ASP A 12 2.740 8.591 14.852 1.00 0.00 C ATOM 158 CG ASP A 12 1.987 9.808 15.383 1.00 0.00 C ATOM 159 OD1 ASP A 12 2.610 10.623 16.044 1.00 0.00 O ATOM 160 OD2 ASP A 12 0.799 9.907 15.121 1.00 0.00 O ATOM 0 H ASP A 12 1.454 8.857 12.769 1.00 0.00 H new ATOM 0 HA ASP A 12 3.849 9.927 13.572 1.00 0.00 H new ATOM 0 HB2 ASP A 12 2.051 7.757 14.719 1.00 0.00 H new ATOM 0 HB3 ASP A 12 3.490 8.273 15.576 1.00 0.00 H new ATOM 165 N ASP A 13 4.151 6.645 13.144 1.00 0.00 N ATOM 166 CA ASP A 13 5.124 5.583 12.872 1.00 0.00 C ATOM 167 C ASP A 13 4.574 4.611 11.826 1.00 0.00 C ATOM 168 O ASP A 13 4.698 3.393 11.970 1.00 0.00 O ATOM 169 CB ASP A 13 5.445 4.809 14.160 1.00 0.00 C ATOM 170 CG ASP A 13 5.987 5.742 15.244 1.00 0.00 C ATOM 171 OD1 ASP A 13 6.697 6.675 14.906 1.00 0.00 O ATOM 172 OD2 ASP A 13 5.691 5.502 16.404 1.00 0.00 O ATOM 0 H ASP A 13 3.190 6.321 13.250 1.00 0.00 H new ATOM 0 HA ASP A 13 6.034 6.046 12.492 1.00 0.00 H new ATOM 0 HB2 ASP A 13 4.546 4.310 14.522 1.00 0.00 H new ATOM 0 HB3 ASP A 13 6.177 4.030 13.947 1.00 0.00 H new ATOM 177 N GLY A 14 3.969 5.155 10.773 1.00 0.00 N ATOM 178 CA GLY A 14 3.407 4.326 9.709 1.00 0.00 C ATOM 179 C GLY A 14 2.781 5.191 8.621 1.00 0.00 C ATOM 180 O GLY A 14 3.024 6.396 8.558 1.00 0.00 O ATOM 0 H GLY A 14 3.856 6.159 10.634 1.00 0.00 H new ATOM 0 HA2 GLY A 14 4.189 3.701 9.278 1.00 0.00 H new ATOM 0 HA3 GLY A 14 2.655 3.655 10.124 1.00 0.00 H new ATOM 184 N LEU A 15 1.972 4.571 7.761 1.00 0.00 N ATOM 185 CA LEU A 15 1.318 5.306 6.682 1.00 0.00 C ATOM 186 C LEU A 15 0.080 4.568 6.184 1.00 0.00 C ATOM 187 O LEU A 15 0.045 3.337 6.161 1.00 0.00 O ATOM 188 CB LEU A 15 2.295 5.523 5.518 1.00 0.00 C ATOM 189 CG LEU A 15 2.757 4.171 4.956 1.00 0.00 C ATOM 190 CD1 LEU A 15 2.969 4.288 3.444 1.00 0.00 C ATOM 191 CD2 LEU A 15 4.072 3.760 5.627 1.00 0.00 C ATOM 0 H LEU A 15 1.757 3.574 7.790 1.00 0.00 H new ATOM 0 HA LEU A 15 1.007 6.273 7.077 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.813 6.106 4.733 1.00 0.00 H new ATOM 0 HB3 LEU A 15 3.157 6.097 5.859 1.00 0.00 H new ATOM 0 HG LEU A 15 1.996 3.417 5.157 1.00 0.00 H new ATOM 0 HD11 LEU A 15 3.297 3.327 3.047 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.033 4.577 2.967 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.728 5.043 3.240 1.00 0.00 H new ATOM 0 HD21 LEU A 15 4.400 2.800 5.228 1.00 0.00 H new ATOM 0 HD22 LEU A 15 4.833 4.515 5.428 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.920 3.673 6.703 1.00 0.00 H new ATOM 203 N VAL A 16 -0.933 5.332 5.778 1.00 0.00 N ATOM 204 CA VAL A 16 -2.167 4.744 5.267 1.00 0.00 C ATOM 205 C VAL A 16 -2.056 4.532 3.761 1.00 0.00 C ATOM 206 O VAL A 16 -1.273 5.205 3.088 1.00 0.00 O ATOM 207 CB VAL A 16 -3.361 5.655 5.572 1.00 0.00 C ATOM 208 CG1 VAL A 16 -4.664 4.856 5.458 1.00 0.00 C ATOM 209 CG2 VAL A 16 -3.236 6.214 6.992 1.00 0.00 C ATOM 0 H VAL A 16 -0.923 6.352 5.793 1.00 0.00 H new ATOM 0 HA VAL A 16 -2.323 3.783 5.758 1.00 0.00 H new ATOM 0 HB VAL A 16 -3.373 6.477 4.856 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -5.510 5.507 5.676 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -4.761 4.460 4.447 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -4.648 4.031 6.170 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -4.087 6.861 7.204 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -3.218 5.391 7.707 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -2.313 6.788 7.077 1.00 0.00 H new ATOM 219 N LEU A 17 -2.843 3.597 3.238 1.00 0.00 N ATOM 220 CA LEU A 17 -2.824 3.308 1.810 1.00 0.00 C ATOM 221 C LEU A 17 -4.204 2.869 1.336 1.00 0.00 C ATOM 222 O LEU A 17 -4.779 1.921 1.869 1.00 0.00 O ATOM 223 CB LEU A 17 -1.800 2.208 1.513 1.00 0.00 C ATOM 224 CG LEU A 17 -1.156 2.456 0.145 1.00 0.00 C ATOM 225 CD1 LEU A 17 -0.043 3.500 0.281 1.00 0.00 C ATOM 226 CD2 LEU A 17 -0.565 1.147 -0.383 1.00 0.00 C ATOM 0 H LEU A 17 -3.497 3.031 3.778 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.543 4.216 1.276 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.034 2.192 2.288 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.286 1.233 1.525 1.00 0.00 H new ATOM 0 HG LEU A 17 -1.912 2.823 -0.550 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.413 3.674 -0.693 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.463 4.433 0.657 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.714 3.137 0.976 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.106 1.321 -1.356 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.190 0.781 0.313 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.357 0.404 -0.483 1.00 0.00 H new ATOM 238 N ARG A 18 -4.725 3.563 0.329 1.00 0.00 N ATOM 239 CA ARG A 18 -6.038 3.234 -0.215 1.00 0.00 C ATOM 240 C ARG A 18 -5.928 2.045 -1.166 1.00 0.00 C ATOM 241 O ARG A 18 -4.847 1.750 -1.678 1.00 0.00 O ATOM 242 CB ARG A 18 -6.614 4.445 -0.957 1.00 0.00 C ATOM 243 CG ARG A 18 -8.101 4.214 -1.245 1.00 0.00 C ATOM 244 CD ARG A 18 -8.692 5.452 -1.927 1.00 0.00 C ATOM 245 NE ARG A 18 -8.456 6.645 -1.117 1.00 0.00 N ATOM 246 CZ ARG A 18 -9.180 6.899 -0.033 1.00 0.00 C ATOM 247 NH1 ARG A 18 -8.930 6.268 1.082 1.00 0.00 N ATOM 248 NH2 ARG A 18 -10.144 7.778 -0.083 1.00 0.00 N ATOM 0 H ARG A 18 -4.262 4.351 -0.124 1.00 0.00 H new ATOM 0 HA ARG A 18 -6.705 2.969 0.606 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -6.485 5.346 -0.357 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -6.073 4.603 -1.890 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -8.226 3.340 -1.884 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -8.634 4.009 -0.316 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -8.244 5.580 -2.912 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -9.763 5.314 -2.079 1.00 0.00 H new ATOM 0 HE ARG A 18 -7.720 7.296 -1.390 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -8.178 5.580 1.121 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -9.486 6.463 1.914 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -10.341 8.270 -0.955 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -10.700 7.973 0.750 1.00 0.00 H new ATOM 262 N LEU A 19 -7.049 1.364 -1.392 1.00 0.00 N ATOM 263 CA LEU A 19 -7.062 0.204 -2.277 1.00 0.00 C ATOM 264 C LEU A 19 -8.385 0.103 -3.029 1.00 0.00 C ATOM 265 O LEU A 19 -9.341 0.820 -2.730 1.00 0.00 O ATOM 266 CB LEU A 19 -6.839 -1.075 -1.461 1.00 0.00 C ATOM 267 CG LEU A 19 -5.725 -1.911 -2.106 1.00 0.00 C ATOM 268 CD1 LEU A 19 -4.360 -1.398 -1.634 1.00 0.00 C ATOM 269 CD2 LEU A 19 -5.886 -3.380 -1.701 1.00 0.00 C ATOM 0 H LEU A 19 -7.953 1.593 -0.978 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.259 0.323 -3.004 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.570 -0.822 -0.436 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -7.761 -1.654 -1.415 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.790 -1.824 -3.191 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.570 -1.992 -2.092 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.244 -0.354 -1.924 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.295 -1.483 -0.549 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.094 -3.973 -2.160 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.823 -3.467 -0.616 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.855 -3.746 -2.039 1.00 0.00 H new ATOM 281 N TYR A 20 -8.422 -0.802 -4.007 1.00 0.00 N ATOM 282 CA TYR A 20 -9.612 -1.017 -4.827 1.00 0.00 C ATOM 283 C TYR A 20 -9.584 -2.432 -5.399 1.00 0.00 C ATOM 284 O TYR A 20 -9.096 -2.658 -6.508 1.00 0.00 O ATOM 285 CB TYR A 20 -9.644 0.003 -5.975 1.00 0.00 C ATOM 286 CG TYR A 20 -10.683 1.066 -5.696 1.00 0.00 C ATOM 287 CD1 TYR A 20 -10.332 2.223 -4.988 1.00 0.00 C ATOM 288 CD2 TYR A 20 -11.997 0.897 -6.150 1.00 0.00 C ATOM 289 CE1 TYR A 20 -11.294 3.208 -4.733 1.00 0.00 C ATOM 290 CE2 TYR A 20 -12.959 1.882 -5.893 1.00 0.00 C ATOM 291 CZ TYR A 20 -12.607 3.038 -5.187 1.00 0.00 C ATOM 292 OH TYR A 20 -13.554 4.010 -4.937 1.00 0.00 O ATOM 0 H TYR A 20 -7.634 -1.402 -4.251 1.00 0.00 H new ATOM 0 HA TYR A 20 -10.503 -0.890 -4.212 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -8.663 0.464 -6.090 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -9.871 -0.502 -6.914 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -9.319 2.355 -4.639 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -12.269 0.007 -6.698 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -11.023 4.099 -4.186 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -13.973 1.749 -6.240 1.00 0.00 H new ATOM 0 HH TYR A 20 -14.413 3.736 -5.321 1.00 0.00 H new ATOM 302 N ILE A 21 -10.092 -3.382 -4.620 1.00 0.00 N ATOM 303 CA ILE A 21 -10.103 -4.784 -5.041 1.00 0.00 C ATOM 304 C ILE A 21 -11.196 -5.048 -6.077 1.00 0.00 C ATOM 305 O ILE A 21 -12.191 -4.329 -6.149 1.00 0.00 O ATOM 306 CB ILE A 21 -10.315 -5.695 -3.825 1.00 0.00 C ATOM 307 CG1 ILE A 21 -9.100 -5.607 -2.892 1.00 0.00 C ATOM 308 CG2 ILE A 21 -10.486 -7.147 -4.288 1.00 0.00 C ATOM 309 CD1 ILE A 21 -9.146 -4.300 -2.093 1.00 0.00 C ATOM 0 H ILE A 21 -10.499 -3.212 -3.700 1.00 0.00 H new ATOM 0 HA ILE A 21 -9.139 -5.002 -5.500 1.00 0.00 H new ATOM 0 HB ILE A 21 -11.210 -5.372 -3.293 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -9.091 -6.459 -2.212 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -8.180 -5.655 -3.474 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -10.636 -7.790 -3.421 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -11.351 -7.219 -4.947 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -9.593 -7.465 -4.825 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -8.280 -4.246 -1.433 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -9.133 -3.453 -2.779 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -10.058 -4.270 -1.497 1.00 0.00 H new ATOM 321 N GLN A 22 -10.994 -6.100 -6.868 1.00 0.00 N ATOM 322 CA GLN A 22 -11.948 -6.494 -7.899 1.00 0.00 C ATOM 323 C GLN A 22 -11.990 -8.023 -7.993 1.00 0.00 C ATOM 324 O GLN A 22 -10.983 -8.654 -8.310 1.00 0.00 O ATOM 325 CB GLN A 22 -11.532 -5.904 -9.254 1.00 0.00 C ATOM 326 CG GLN A 22 -11.992 -4.443 -9.350 1.00 0.00 C ATOM 327 CD GLN A 22 -11.165 -3.701 -10.396 1.00 0.00 C ATOM 328 OE1 GLN A 22 -11.443 -3.797 -11.592 1.00 0.00 O ATOM 329 NE2 GLN A 22 -10.163 -2.960 -10.014 1.00 0.00 N ATOM 0 H GLN A 22 -10.170 -6.699 -6.812 1.00 0.00 H new ATOM 0 HA GLN A 22 -12.936 -6.116 -7.638 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -10.450 -5.962 -9.369 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -11.970 -6.487 -10.064 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -13.049 -4.403 -9.615 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -11.888 -3.956 -8.380 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -9.935 -2.882 -9.023 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -9.607 -2.458 -10.706 1.00 0.00 H new ATOM 338 N PRO A 23 -13.121 -8.627 -7.717 1.00 0.00 N ATOM 339 CA PRO A 23 -13.255 -10.109 -7.769 1.00 0.00 C ATOM 340 C PRO A 23 -12.974 -10.667 -9.162 1.00 0.00 C ATOM 341 O PRO A 23 -12.928 -9.923 -10.142 1.00 0.00 O ATOM 342 CB PRO A 23 -14.695 -10.404 -7.333 1.00 0.00 C ATOM 343 CG PRO A 23 -15.355 -9.093 -7.029 1.00 0.00 C ATOM 344 CD PRO A 23 -14.372 -7.961 -7.336 1.00 0.00 C ATOM 0 HA PRO A 23 -12.525 -10.589 -7.118 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -15.233 -10.930 -8.121 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -14.704 -11.050 -6.455 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -16.260 -8.979 -7.626 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -15.657 -9.057 -5.982 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -14.741 -7.327 -8.142 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -14.227 -7.319 -6.467 1.00 0.00 H new ATOM 352 N LYS A 24 -12.779 -11.985 -9.229 1.00 0.00 N ATOM 353 CA LYS A 24 -12.491 -12.662 -10.492 1.00 0.00 C ATOM 354 C LYS A 24 -11.161 -12.176 -11.071 1.00 0.00 C ATOM 355 O LYS A 24 -11.106 -11.167 -11.776 1.00 0.00 O ATOM 356 CB LYS A 24 -13.627 -12.416 -11.501 1.00 0.00 C ATOM 357 CG LYS A 24 -14.581 -13.617 -11.519 1.00 0.00 C ATOM 358 CD LYS A 24 -15.292 -13.740 -10.165 1.00 0.00 C ATOM 359 CE LYS A 24 -16.570 -12.897 -10.170 1.00 0.00 C ATOM 360 NZ LYS A 24 -17.076 -12.766 -8.776 1.00 0.00 N ATOM 0 H LYS A 24 -12.816 -12.605 -8.420 1.00 0.00 H new ATOM 0 HA LYS A 24 -12.416 -13.732 -10.299 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -14.173 -11.511 -11.233 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -13.212 -12.255 -12.496 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -15.315 -13.497 -12.316 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -14.026 -14.530 -11.732 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -15.535 -14.784 -9.965 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -14.630 -13.408 -9.365 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -16.368 -11.912 -10.590 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -17.326 -13.364 -10.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -17.547 -11.846 -8.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -17.755 -13.529 -8.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -16.280 -12.832 -8.110 1.00 0.00 H new ATOM 430 N SER A 29 -3.600 -8.966 -9.480 1.00 0.00 N ATOM 431 CA SER A 29 -3.186 -8.238 -10.656 1.00 0.00 C ATOM 432 C SER A 29 -3.052 -6.750 -10.356 1.00 0.00 C ATOM 433 O SER A 29 -4.049 -6.052 -10.163 1.00 0.00 O ATOM 434 CB SER A 29 -4.223 -8.463 -11.728 1.00 0.00 C ATOM 435 OG SER A 29 -3.803 -7.857 -12.943 1.00 0.00 O ATOM 0 HA SER A 29 -2.210 -8.594 -10.987 1.00 0.00 H new ATOM 0 HB2 SER A 29 -4.377 -9.532 -11.879 1.00 0.00 H new ATOM 0 HB3 SER A 29 -5.179 -8.044 -11.414 1.00 0.00 H new ATOM 0 HG SER A 29 -4.480 -8.008 -13.635 1.00 0.00 H new ATOM 441 N ILE A 30 -1.815 -6.270 -10.328 1.00 0.00 N ATOM 442 CA ILE A 30 -1.562 -4.860 -10.063 1.00 0.00 C ATOM 443 C ILE A 30 -1.868 -4.045 -11.315 1.00 0.00 C ATOM 444 O ILE A 30 -1.038 -3.935 -12.220 1.00 0.00 O ATOM 445 CB ILE A 30 -0.103 -4.646 -9.623 1.00 0.00 C ATOM 446 CG1 ILE A 30 0.732 -5.894 -9.952 1.00 0.00 C ATOM 447 CG2 ILE A 30 -0.063 -4.393 -8.113 1.00 0.00 C ATOM 448 CD1 ILE A 30 2.216 -5.612 -9.693 1.00 0.00 C ATOM 0 H ILE A 30 -0.978 -6.831 -10.484 1.00 0.00 H new ATOM 0 HA ILE A 30 -2.211 -4.527 -9.253 1.00 0.00 H new ATOM 0 HB ILE A 30 0.310 -3.788 -10.153 1.00 0.00 H new ATOM 0 HG12 ILE A 30 0.401 -6.735 -9.342 1.00 0.00 H new ATOM 0 HG13 ILE A 30 0.583 -6.177 -10.994 1.00 0.00 H new ATOM 0 HG21 ILE A 30 0.969 -4.241 -7.797 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -0.649 -3.505 -7.877 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -0.480 -5.253 -7.589 1.00 0.00 H new ATOM 0 HD11 ILE A 30 2.802 -6.501 -9.928 1.00 0.00 H new ATOM 0 HD12 ILE A 30 2.544 -4.784 -10.322 1.00 0.00 H new ATOM 0 HD13 ILE A 30 2.359 -5.350 -8.645 1.00 0.00 H new ATOM 460 N VAL A 31 -3.077 -3.493 -11.365 1.00 0.00 N ATOM 461 CA VAL A 31 -3.510 -2.706 -12.513 1.00 0.00 C ATOM 462 C VAL A 31 -2.557 -1.541 -12.775 1.00 0.00 C ATOM 463 O VAL A 31 -2.040 -1.393 -13.884 1.00 0.00 O ATOM 464 CB VAL A 31 -4.926 -2.167 -12.275 1.00 0.00 C ATOM 465 CG1 VAL A 31 -5.545 -1.751 -13.610 1.00 0.00 C ATOM 466 CG2 VAL A 31 -5.798 -3.254 -11.633 1.00 0.00 C ATOM 0 H VAL A 31 -3.773 -3.577 -10.624 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.507 -3.357 -13.387 1.00 0.00 H new ATOM 0 HB VAL A 31 -4.872 -1.306 -11.609 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -6.551 -1.368 -13.441 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -4.933 -0.974 -14.068 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -5.592 -2.614 -14.274 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -6.802 -2.864 -11.467 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -5.849 -4.118 -12.296 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -5.363 -3.554 -10.680 1.00 0.00 H new ATOM 476 N GLY A 32 -2.337 -0.711 -11.756 1.00 0.00 N ATOM 477 CA GLY A 32 -1.455 0.444 -11.901 1.00 0.00 C ATOM 478 C GLY A 32 -1.332 1.220 -10.591 1.00 0.00 C ATOM 479 O GLY A 32 -1.811 2.352 -10.489 1.00 0.00 O ATOM 0 H GLY A 32 -2.753 -0.816 -10.831 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -0.468 0.112 -12.223 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -1.840 1.102 -12.680 1.00 0.00 H new ATOM 483 N LEU A 33 -0.699 0.608 -9.590 1.00 0.00 N ATOM 484 CA LEU A 33 -0.528 1.252 -8.290 1.00 0.00 C ATOM 485 C LEU A 33 0.209 2.587 -8.443 1.00 0.00 C ATOM 486 O LEU A 33 1.436 2.646 -8.360 1.00 0.00 O ATOM 487 CB LEU A 33 0.256 0.318 -7.358 1.00 0.00 C ATOM 488 CG LEU A 33 1.601 -0.073 -7.999 1.00 0.00 C ATOM 489 CD1 LEU A 33 2.755 0.309 -7.062 1.00 0.00 C ATOM 490 CD2 LEU A 33 1.636 -1.587 -8.246 1.00 0.00 C ATOM 0 H LEU A 33 -0.299 -0.328 -9.655 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.510 1.452 -7.861 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.431 0.811 -6.402 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.330 -0.578 -7.152 1.00 0.00 H new ATOM 0 HG LEU A 33 1.709 0.456 -8.946 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.704 0.030 -7.521 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.740 1.385 -6.886 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.642 -0.216 -6.113 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.589 -1.860 -8.700 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.521 -2.113 -7.298 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.823 -1.865 -8.916 1.00 0.00 H new ATOM 502 N HIS A 34 -0.550 3.655 -8.680 1.00 0.00 N ATOM 503 CA HIS A 34 0.042 4.978 -8.863 1.00 0.00 C ATOM 504 C HIS A 34 -0.766 6.047 -8.134 1.00 0.00 C ATOM 505 O HIS A 34 -1.481 6.832 -8.760 1.00 0.00 O ATOM 506 CB HIS A 34 0.099 5.315 -10.359 1.00 0.00 C ATOM 507 CG HIS A 34 0.745 4.183 -11.113 1.00 0.00 C ATOM 508 ND1 HIS A 34 1.911 3.575 -10.677 1.00 0.00 N ATOM 509 CD2 HIS A 34 0.397 3.533 -12.274 1.00 0.00 C ATOM 510 CE1 HIS A 34 2.220 2.608 -11.558 1.00 0.00 C ATOM 511 NE2 HIS A 34 1.331 2.540 -12.552 1.00 0.00 N ATOM 0 H HIS A 34 -1.567 3.631 -8.749 1.00 0.00 H new ATOM 0 HA HIS A 34 1.049 4.961 -8.446 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -0.907 5.490 -10.740 1.00 0.00 H new ATOM 0 HB3 HIS A 34 0.663 6.235 -10.513 1.00 0.00 H new ATOM 0 HD1 HIS A 34 2.439 3.817 -9.839 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -0.469 3.759 -12.878 1.00 0.00 H new ATOM 0 HE1 HIS A 34 3.083 1.964 -11.472 1.00 0.00 H new ATOM 519 N GLY A 35 -0.642 6.073 -6.806 1.00 0.00 N ATOM 520 CA GLY A 35 -1.359 7.051 -5.989 1.00 0.00 C ATOM 521 C GLY A 35 -2.829 7.135 -6.396 1.00 0.00 C ATOM 522 O GLY A 35 -3.310 6.310 -7.171 1.00 0.00 O ATOM 0 H GLY A 35 -0.054 5.430 -6.276 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -1.285 6.775 -4.937 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -0.892 8.030 -6.095 1.00 0.00 H new ATOM 526 N ASP A 36 -3.529 8.139 -5.868 1.00 0.00 N ATOM 527 CA ASP A 36 -4.950 8.338 -6.175 1.00 0.00 C ATOM 528 C ASP A 36 -5.790 7.166 -5.659 1.00 0.00 C ATOM 529 O ASP A 36 -6.765 7.363 -4.935 1.00 0.00 O ATOM 530 CB ASP A 36 -5.152 8.492 -7.691 1.00 0.00 C ATOM 531 CG ASP A 36 -4.172 9.518 -8.266 1.00 0.00 C ATOM 532 OD1 ASP A 36 -3.709 10.364 -7.517 1.00 0.00 O ATOM 533 OD2 ASP A 36 -3.901 9.444 -9.455 1.00 0.00 O ATOM 0 H ASP A 36 -3.138 8.828 -5.226 1.00 0.00 H new ATOM 0 HA ASP A 36 -5.278 9.249 -5.674 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -5.008 7.529 -8.182 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -6.176 8.805 -7.897 1.00 0.00 H new ATOM 538 N GLU A 37 -5.396 5.954 -6.043 1.00 0.00 N ATOM 539 CA GLU A 37 -6.094 4.735 -5.632 1.00 0.00 C ATOM 540 C GLU A 37 -5.445 3.519 -6.293 1.00 0.00 C ATOM 541 O GLU A 37 -5.330 3.461 -7.518 1.00 0.00 O ATOM 542 CB GLU A 37 -7.576 4.800 -6.027 1.00 0.00 C ATOM 543 CG GLU A 37 -7.727 5.522 -7.373 1.00 0.00 C ATOM 544 CD GLU A 37 -8.847 4.889 -8.200 1.00 0.00 C ATOM 545 OE1 GLU A 37 -8.885 3.671 -8.286 1.00 0.00 O ATOM 546 OE2 GLU A 37 -9.647 5.634 -8.742 1.00 0.00 O ATOM 0 H GLU A 37 -4.589 5.788 -6.644 1.00 0.00 H new ATOM 0 HA GLU A 37 -6.023 4.646 -4.548 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -7.987 3.793 -6.097 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -8.144 5.324 -5.258 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -7.944 6.577 -7.204 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -6.788 5.474 -7.925 1.00 0.00 H new ATOM 553 N VAL A 38 -5.010 2.558 -5.480 1.00 0.00 N ATOM 554 CA VAL A 38 -4.361 1.357 -6.008 1.00 0.00 C ATOM 555 C VAL A 38 -5.378 0.257 -6.289 1.00 0.00 C ATOM 556 O VAL A 38 -5.879 -0.392 -5.367 1.00 0.00 O ATOM 557 CB VAL A 38 -3.318 0.844 -5.011 1.00 0.00 C ATOM 558 CG1 VAL A 38 -2.564 -0.341 -5.621 1.00 0.00 C ATOM 559 CG2 VAL A 38 -2.327 1.965 -4.685 1.00 0.00 C ATOM 0 H VAL A 38 -5.093 2.585 -4.464 1.00 0.00 H new ATOM 0 HA VAL A 38 -3.874 1.625 -6.946 1.00 0.00 H new ATOM 0 HB VAL A 38 -3.819 0.524 -4.097 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -1.822 -0.705 -4.910 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -3.268 -1.140 -5.852 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -2.064 -0.022 -6.536 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -1.585 1.600 -3.975 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -1.828 2.286 -5.599 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -2.862 2.808 -4.248 1.00 0.00 H new ATOM 569 N LYS A 39 -5.672 0.044 -7.568 1.00 0.00 N ATOM 570 CA LYS A 39 -6.622 -0.989 -7.963 1.00 0.00 C ATOM 571 C LYS A 39 -5.958 -2.366 -7.942 1.00 0.00 C ATOM 572 O LYS A 39 -4.763 -2.495 -8.217 1.00 0.00 O ATOM 573 CB LYS A 39 -7.165 -0.694 -9.364 1.00 0.00 C ATOM 574 CG LYS A 39 -7.928 0.636 -9.348 1.00 0.00 C ATOM 575 CD LYS A 39 -8.562 0.885 -10.719 1.00 0.00 C ATOM 576 CE LYS A 39 -7.578 1.655 -11.600 1.00 0.00 C ATOM 577 NZ LYS A 39 -7.988 1.531 -13.028 1.00 0.00 N ATOM 0 H LYS A 39 -5.269 0.569 -8.344 1.00 0.00 H new ATOM 0 HA LYS A 39 -7.448 -0.990 -7.251 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -6.345 -0.646 -10.081 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -7.824 -1.500 -9.687 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -8.700 0.614 -8.579 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -7.250 1.452 -9.097 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -8.823 -0.063 -11.189 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -9.487 1.451 -10.607 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -7.555 2.705 -11.307 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -6.569 1.264 -11.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -7.319 2.055 -13.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -7.988 0.528 -13.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -8.943 1.924 -13.150 1.00 0.00 H new ATOM 590 N VAL A 40 -6.747 -3.387 -7.619 1.00 0.00 N ATOM 591 CA VAL A 40 -6.252 -4.761 -7.562 1.00 0.00 C ATOM 592 C VAL A 40 -7.404 -5.725 -7.835 1.00 0.00 C ATOM 593 O VAL A 40 -8.571 -5.343 -7.756 1.00 0.00 O ATOM 594 CB VAL A 40 -5.641 -5.048 -6.178 1.00 0.00 C ATOM 595 CG1 VAL A 40 -5.327 -6.541 -6.039 1.00 0.00 C ATOM 596 CG2 VAL A 40 -4.345 -4.248 -6.007 1.00 0.00 C ATOM 0 H VAL A 40 -7.736 -3.289 -7.392 1.00 0.00 H new ATOM 0 HA VAL A 40 -5.479 -4.897 -8.318 1.00 0.00 H new ATOM 0 HB VAL A 40 -6.360 -4.755 -5.412 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -4.895 -6.732 -5.057 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -6.245 -7.118 -6.150 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -4.617 -6.837 -6.811 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -3.917 -4.455 -5.026 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -3.634 -4.537 -6.781 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.561 -3.183 -6.092 1.00 0.00 H new ATOM 606 N ALA A 41 -7.073 -6.970 -8.165 1.00 0.00 N ATOM 607 CA ALA A 41 -8.099 -7.965 -8.453 1.00 0.00 C ATOM 608 C ALA A 41 -7.655 -9.353 -7.998 1.00 0.00 C ATOM 609 O ALA A 41 -6.512 -9.750 -8.210 1.00 0.00 O ATOM 610 CB ALA A 41 -8.400 -7.988 -9.953 1.00 0.00 C ATOM 0 H ALA A 41 -6.114 -7.310 -8.239 1.00 0.00 H new ATOM 0 HA ALA A 41 -9.001 -7.692 -7.905 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -9.167 -8.734 -10.159 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -8.754 -7.007 -10.268 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -7.493 -8.240 -10.502 1.00 0.00 H new ATOM 616 N ILE A 42 -8.578 -10.083 -7.369 1.00 0.00 N ATOM 617 CA ILE A 42 -8.297 -11.435 -6.882 1.00 0.00 C ATOM 618 C ILE A 42 -9.562 -12.287 -6.966 1.00 0.00 C ATOM 619 O ILE A 42 -10.670 -11.768 -6.839 1.00 0.00 O ATOM 620 CB ILE A 42 -7.816 -11.396 -5.421 1.00 0.00 C ATOM 621 CG1 ILE A 42 -7.087 -10.072 -5.142 1.00 0.00 C ATOM 622 CG2 ILE A 42 -6.865 -12.572 -5.162 1.00 0.00 C ATOM 623 CD1 ILE A 42 -6.493 -10.097 -3.731 1.00 0.00 C ATOM 0 H ILE A 42 -9.528 -9.760 -7.185 1.00 0.00 H new ATOM 0 HA ILE A 42 -7.514 -11.868 -7.504 1.00 0.00 H new ATOM 0 HB ILE A 42 -8.679 -11.473 -4.759 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -6.297 -9.919 -5.877 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -7.780 -9.236 -5.240 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -6.525 -12.544 -4.127 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -7.388 -13.510 -5.346 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -6.006 -12.499 -5.829 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -5.977 -9.157 -3.537 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -7.292 -10.230 -3.002 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -5.786 -10.923 -3.648 1.00 0.00 H new ATOM 635 N THR A 43 -9.395 -13.592 -7.168 1.00 0.00 N ATOM 636 CA THR A 43 -10.546 -14.491 -7.250 1.00 0.00 C ATOM 637 C THR A 43 -11.119 -14.740 -5.855 1.00 0.00 C ATOM 638 O THR A 43 -12.150 -15.396 -5.701 1.00 0.00 O ATOM 639 CB THR A 43 -10.136 -15.821 -7.894 1.00 0.00 C ATOM 640 OG1 THR A 43 -11.284 -16.638 -8.075 1.00 0.00 O ATOM 641 CG2 THR A 43 -9.129 -16.546 -6.997 1.00 0.00 C ATOM 0 H THR A 43 -8.488 -14.047 -7.277 1.00 0.00 H new ATOM 0 HA THR A 43 -11.312 -14.023 -7.868 1.00 0.00 H new ATOM 0 HB THR A 43 -9.676 -15.621 -8.862 1.00 0.00 H new ATOM 0 HG1 THR A 43 -11.904 -16.501 -7.329 1.00 0.00 H new ATOM 0 HG21 THR A 43 -8.842 -17.490 -7.461 1.00 0.00 H new ATOM 0 HG22 THR A 43 -8.244 -15.923 -6.865 1.00 0.00 H new ATOM 0 HG23 THR A 43 -9.582 -16.742 -6.025 1.00 0.00 H new ATOM 649 N ALA A 44 -10.438 -14.203 -4.844 1.00 0.00 N ATOM 650 CA ALA A 44 -10.872 -14.358 -3.460 1.00 0.00 C ATOM 651 C ALA A 44 -11.632 -13.117 -3.000 1.00 0.00 C ATOM 652 O ALA A 44 -11.103 -12.005 -3.059 1.00 0.00 O ATOM 653 CB ALA A 44 -9.658 -14.575 -2.555 1.00 0.00 C ATOM 0 H ALA A 44 -9.584 -13.657 -4.959 1.00 0.00 H new ATOM 0 HA ALA A 44 -11.532 -15.223 -3.398 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -9.989 -14.690 -1.523 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -9.127 -15.474 -2.868 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -8.991 -13.716 -2.628 1.00 0.00 H new ATOM 659 N PRO A 45 -12.849 -13.282 -2.539 1.00 0.00 N ATOM 660 CA PRO A 45 -13.676 -12.141 -2.057 1.00 0.00 C ATOM 661 C PRO A 45 -12.987 -11.404 -0.909 1.00 0.00 C ATOM 662 O PRO A 45 -11.866 -11.747 -0.534 1.00 0.00 O ATOM 663 CB PRO A 45 -14.999 -12.767 -1.595 1.00 0.00 C ATOM 664 CG PRO A 45 -14.912 -14.245 -1.824 1.00 0.00 C ATOM 665 CD PRO A 45 -13.548 -14.570 -2.436 1.00 0.00 C ATOM 0 HA PRO A 45 -13.831 -11.398 -2.839 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -15.175 -12.554 -0.541 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -15.836 -12.343 -2.150 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -15.041 -14.781 -0.884 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -15.711 -14.572 -2.489 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -12.993 -15.269 -1.810 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -13.658 -15.037 -3.415 1.00 0.00 H new ATOM 673 N PRO A 46 -13.622 -10.405 -0.349 1.00 0.00 N ATOM 674 CA PRO A 46 -13.044 -9.617 0.775 1.00 0.00 C ATOM 675 C PRO A 46 -13.105 -10.375 2.099 1.00 0.00 C ATOM 676 O PRO A 46 -12.888 -9.797 3.165 1.00 0.00 O ATOM 677 CB PRO A 46 -13.904 -8.344 0.833 1.00 0.00 C ATOM 678 CG PRO A 46 -14.931 -8.460 -0.255 1.00 0.00 C ATOM 679 CD PRO A 46 -14.951 -9.917 -0.713 1.00 0.00 C ATOM 0 HA PRO A 46 -11.987 -9.406 0.614 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -14.383 -8.246 1.807 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -13.289 -7.456 0.690 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -15.913 -8.159 0.111 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -14.685 -7.800 -1.087 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -15.738 -10.484 -0.215 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -15.129 -9.999 -1.785 1.00 0.00 H new ATOM 687 N VAL A 47 -13.402 -11.672 2.021 1.00 0.00 N ATOM 688 CA VAL A 47 -13.490 -12.502 3.217 1.00 0.00 C ATOM 689 C VAL A 47 -12.170 -12.473 3.985 1.00 0.00 C ATOM 690 O VAL A 47 -11.190 -13.096 3.582 1.00 0.00 O ATOM 691 CB VAL A 47 -13.851 -13.949 2.836 1.00 0.00 C ATOM 692 CG1 VAL A 47 -12.886 -14.475 1.766 1.00 0.00 C ATOM 693 CG2 VAL A 47 -13.770 -14.843 4.080 1.00 0.00 C ATOM 0 H VAL A 47 -13.584 -12.166 1.147 1.00 0.00 H new ATOM 0 HA VAL A 47 -14.275 -12.102 3.859 1.00 0.00 H new ATOM 0 HB VAL A 47 -14.865 -13.965 2.437 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -13.154 -15.499 1.507 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -12.951 -13.847 0.877 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -11.867 -14.453 2.153 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -14.026 -15.867 3.809 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -12.757 -14.816 4.482 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -14.469 -14.482 4.834 1.00 0.00 H new ATOM 703 N ASP A 48 -12.160 -11.741 5.098 1.00 0.00 N ATOM 704 CA ASP A 48 -10.964 -11.626 5.933 1.00 0.00 C ATOM 705 C ASP A 48 -10.335 -13.000 6.178 1.00 0.00 C ATOM 706 O ASP A 48 -9.174 -13.097 6.570 1.00 0.00 O ATOM 707 CB ASP A 48 -11.321 -10.970 7.275 1.00 0.00 C ATOM 708 CG ASP A 48 -12.378 -11.789 8.026 1.00 0.00 C ATOM 709 OD1 ASP A 48 -12.986 -12.655 7.419 1.00 0.00 O ATOM 710 OD2 ASP A 48 -12.564 -11.529 9.203 1.00 0.00 O ATOM 0 H ASP A 48 -12.966 -11.219 5.443 1.00 0.00 H new ATOM 0 HA ASP A 48 -10.240 -11.004 5.408 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -10.425 -10.878 7.888 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -11.694 -9.960 7.102 1.00 0.00 H new ATOM 715 N GLY A 49 -11.112 -14.056 5.947 1.00 0.00 N ATOM 716 CA GLY A 49 -10.624 -15.417 6.143 1.00 0.00 C ATOM 717 C GLY A 49 -9.549 -15.774 5.116 1.00 0.00 C ATOM 718 O GLY A 49 -8.420 -16.105 5.481 1.00 0.00 O ATOM 0 H GLY A 49 -12.078 -13.995 5.625 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -10.217 -15.519 7.149 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -11.454 -16.119 6.063 1.00 0.00 H new ATOM 722 N GLN A 50 -9.907 -15.712 3.833 1.00 0.00 N ATOM 723 CA GLN A 50 -8.963 -16.037 2.761 1.00 0.00 C ATOM 724 C GLN A 50 -8.425 -14.770 2.097 1.00 0.00 C ATOM 725 O GLN A 50 -7.286 -14.738 1.631 1.00 0.00 O ATOM 726 CB GLN A 50 -9.650 -16.912 1.704 1.00 0.00 C ATOM 727 CG GLN A 50 -10.169 -18.205 2.350 1.00 0.00 C ATOM 728 CD GLN A 50 -11.662 -18.087 2.647 1.00 0.00 C ATOM 729 OE1 GLN A 50 -12.425 -17.583 1.822 1.00 0.00 O ATOM 730 NE2 GLN A 50 -12.131 -18.532 3.781 1.00 0.00 N ATOM 0 H GLN A 50 -10.837 -15.442 3.511 1.00 0.00 H new ATOM 0 HA GLN A 50 -8.127 -16.580 3.203 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -10.476 -16.366 1.249 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -8.948 -17.151 0.905 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -9.989 -19.049 1.685 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -9.623 -18.404 3.272 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -11.500 -18.950 4.465 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -13.128 -18.462 3.983 1.00 0.00 H new ATOM 739 N ALA A 51 -9.254 -13.730 2.046 1.00 0.00 N ATOM 740 CA ALA A 51 -8.855 -12.470 1.423 1.00 0.00 C ATOM 741 C ALA A 51 -7.619 -11.880 2.100 1.00 0.00 C ATOM 742 O ALA A 51 -6.741 -11.338 1.431 1.00 0.00 O ATOM 743 CB ALA A 51 -10.005 -11.463 1.498 1.00 0.00 C ATOM 0 H ALA A 51 -10.201 -13.734 2.426 1.00 0.00 H new ATOM 0 HA ALA A 51 -8.611 -12.676 0.381 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -9.700 -10.526 1.031 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -10.873 -11.863 0.975 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -10.262 -11.282 2.542 1.00 0.00 H new ATOM 749 N ASN A 52 -7.559 -11.984 3.425 1.00 0.00 N ATOM 750 CA ASN A 52 -6.425 -11.448 4.178 1.00 0.00 C ATOM 751 C ASN A 52 -5.129 -12.172 3.814 1.00 0.00 C ATOM 752 O ASN A 52 -4.050 -11.578 3.832 1.00 0.00 O ATOM 753 CB ASN A 52 -6.683 -11.587 5.680 1.00 0.00 C ATOM 754 CG ASN A 52 -6.549 -13.048 6.105 1.00 0.00 C ATOM 755 OD1 ASN A 52 -6.989 -13.949 5.390 1.00 0.00 O ATOM 756 ND2 ASN A 52 -5.966 -13.338 7.235 1.00 0.00 N ATOM 0 H ASN A 52 -8.276 -12.431 3.997 1.00 0.00 H new ATOM 0 HA ASN A 52 -6.317 -10.395 3.919 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -5.975 -10.972 6.236 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -7.681 -11.221 5.920 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -5.874 -14.311 7.527 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -5.602 -12.592 7.827 1.00 0.00 H new ATOM 763 N SER A 53 -5.240 -13.459 3.494 1.00 0.00 N ATOM 764 CA SER A 53 -4.070 -14.256 3.138 1.00 0.00 C ATOM 765 C SER A 53 -3.317 -13.624 1.968 1.00 0.00 C ATOM 766 O SER A 53 -2.249 -13.038 2.149 1.00 0.00 O ATOM 767 CB SER A 53 -4.503 -15.676 2.767 1.00 0.00 C ATOM 768 OG SER A 53 -5.121 -16.291 3.892 1.00 0.00 O ATOM 0 H SER A 53 -6.123 -13.969 3.474 1.00 0.00 H new ATOM 0 HA SER A 53 -3.403 -14.292 3.999 1.00 0.00 H new ATOM 0 HB2 SER A 53 -5.197 -15.649 1.927 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.639 -16.260 2.448 1.00 0.00 H new ATOM 0 HG SER A 53 -5.400 -17.200 3.655 1.00 0.00 H new ATOM 774 N HIS A 54 -3.887 -13.750 0.772 1.00 0.00 N ATOM 775 CA HIS A 54 -3.276 -13.193 -0.435 1.00 0.00 C ATOM 776 C HIS A 54 -2.910 -11.724 -0.237 1.00 0.00 C ATOM 777 O HIS A 54 -1.781 -11.314 -0.508 1.00 0.00 O ATOM 778 CB HIS A 54 -4.242 -13.322 -1.618 1.00 0.00 C ATOM 779 CG HIS A 54 -5.050 -14.583 -1.473 1.00 0.00 C ATOM 780 ND1 HIS A 54 -6.351 -14.796 -1.092 1.00 0.00 N flip ATOM 781 CD2 HIS A 54 -4.514 -15.837 -1.716 1.00 0.00 C flip ATOM 782 CE1 HIS A 54 -6.620 -16.161 -1.095 1.00 0.00 C flip ATOM 783 NE2 HIS A 54 -5.481 -16.742 -1.479 1.00 0.00 N flip ATOM 0 H HIS A 54 -4.771 -14.233 0.611 1.00 0.00 H new ATOM 0 HA HIS A 54 -2.364 -13.754 -0.641 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -4.903 -12.456 -1.657 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -3.685 -13.340 -2.555 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -3.505 -16.049 -2.037 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -7.551 -16.647 -0.841 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -5.359 -17.750 -1.580 1.00 0.00 H new ATOM 791 N LEU A 55 -3.882 -10.941 0.229 1.00 0.00 N ATOM 792 CA LEU A 55 -3.678 -9.513 0.461 1.00 0.00 C ATOM 793 C LEU A 55 -2.352 -9.243 1.174 1.00 0.00 C ATOM 794 O LEU A 55 -1.506 -8.504 0.665 1.00 0.00 O ATOM 795 CB LEU A 55 -4.835 -8.962 1.302 1.00 0.00 C ATOM 796 CG LEU A 55 -4.786 -7.432 1.317 1.00 0.00 C ATOM 797 CD1 LEU A 55 -5.572 -6.879 0.123 1.00 0.00 C ATOM 798 CD2 LEU A 55 -5.407 -6.918 2.619 1.00 0.00 C ATOM 0 H LEU A 55 -4.820 -11.273 0.453 1.00 0.00 H new ATOM 0 HA LEU A 55 -3.647 -9.014 -0.507 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -5.787 -9.300 0.892 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -4.771 -9.347 2.320 1.00 0.00 H new ATOM 0 HG LEU A 55 -3.749 -7.102 1.250 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.535 -5.790 0.136 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.131 -7.246 -0.804 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.609 -7.208 0.186 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -5.374 -5.829 2.633 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -6.443 -7.250 2.684 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -4.847 -7.309 3.468 1.00 0.00 H new ATOM 810 N VAL A 56 -2.184 -9.836 2.355 1.00 0.00 N ATOM 811 CA VAL A 56 -0.962 -9.645 3.135 1.00 0.00 C ATOM 812 C VAL A 56 0.257 -10.195 2.396 1.00 0.00 C ATOM 813 O VAL A 56 1.294 -9.538 2.331 1.00 0.00 O ATOM 814 CB VAL A 56 -1.096 -10.335 4.500 1.00 0.00 C ATOM 815 CG1 VAL A 56 0.258 -10.338 5.223 1.00 0.00 C ATOM 816 CG2 VAL A 56 -2.123 -9.584 5.354 1.00 0.00 C ATOM 0 H VAL A 56 -2.873 -10.449 2.791 1.00 0.00 H new ATOM 0 HA VAL A 56 -0.819 -8.574 3.281 1.00 0.00 H new ATOM 0 HB VAL A 56 -1.424 -11.363 4.347 1.00 0.00 H new ATOM 0 HG11 VAL A 56 0.153 -10.829 6.190 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.991 -10.875 4.621 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.593 -9.312 5.372 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -2.218 -10.074 6.323 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -1.793 -8.555 5.498 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -3.089 -9.588 4.849 1.00 0.00 H new ATOM 826 N LYS A 57 0.130 -11.404 1.851 1.00 0.00 N ATOM 827 CA LYS A 57 1.240 -12.028 1.129 1.00 0.00 C ATOM 828 C LYS A 57 1.778 -11.092 0.050 1.00 0.00 C ATOM 829 O LYS A 57 2.964 -10.761 0.038 1.00 0.00 O ATOM 830 CB LYS A 57 0.778 -13.335 0.477 1.00 0.00 C ATOM 831 CG LYS A 57 0.605 -14.422 1.544 1.00 0.00 C ATOM 832 CD LYS A 57 1.946 -15.123 1.797 1.00 0.00 C ATOM 833 CE LYS A 57 1.739 -16.299 2.757 1.00 0.00 C ATOM 834 NZ LYS A 57 2.995 -17.097 2.838 1.00 0.00 N ATOM 0 H LYS A 57 -0.720 -11.966 1.894 1.00 0.00 H new ATOM 0 HA LYS A 57 2.034 -12.237 1.846 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -0.164 -13.176 -0.048 1.00 0.00 H new ATOM 0 HB3 LYS A 57 1.507 -13.657 -0.267 1.00 0.00 H new ATOM 0 HG2 LYS A 57 0.235 -13.980 2.469 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -0.139 -15.149 1.218 1.00 0.00 H new ATOM 0 HD2 LYS A 57 2.365 -15.478 0.856 1.00 0.00 H new ATOM 0 HD3 LYS A 57 2.662 -14.418 2.219 1.00 0.00 H new ATOM 0 HE2 LYS A 57 1.464 -15.932 3.746 1.00 0.00 H new ATOM 0 HE3 LYS A 57 0.918 -16.926 2.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 2.857 -17.896 3.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 3.238 -17.458 1.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 3.767 -16.495 3.188 1.00 0.00 H new ATOM 847 N PHE A 58 0.894 -10.675 -0.852 1.00 0.00 N ATOM 848 CA PHE A 58 1.273 -9.780 -1.942 1.00 0.00 C ATOM 849 C PHE A 58 1.959 -8.525 -1.408 1.00 0.00 C ATOM 850 O PHE A 58 3.154 -8.323 -1.625 1.00 0.00 O ATOM 851 CB PHE A 58 0.029 -9.386 -2.745 1.00 0.00 C ATOM 852 CG PHE A 58 0.440 -8.959 -4.135 1.00 0.00 C ATOM 853 CD1 PHE A 58 0.721 -9.924 -5.109 1.00 0.00 C ATOM 854 CD2 PHE A 58 0.539 -7.597 -4.451 1.00 0.00 C ATOM 855 CE1 PHE A 58 1.101 -9.529 -6.398 1.00 0.00 C ATOM 856 CE2 PHE A 58 0.918 -7.203 -5.739 1.00 0.00 C ATOM 857 CZ PHE A 58 1.199 -8.169 -6.714 1.00 0.00 C ATOM 0 H PHE A 58 -0.090 -10.942 -0.850 1.00 0.00 H new ATOM 0 HA PHE A 58 1.975 -10.307 -2.588 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -0.662 -10.227 -2.801 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -0.498 -8.574 -2.244 1.00 0.00 H new ATOM 0 HD1 PHE A 58 0.645 -10.974 -4.867 1.00 0.00 H new ATOM 0 HD2 PHE A 58 0.323 -6.851 -3.700 1.00 0.00 H new ATOM 0 HE1 PHE A 58 1.319 -10.274 -7.149 1.00 0.00 H new ATOM 0 HE2 PHE A 58 0.994 -6.153 -5.982 1.00 0.00 H new ATOM 0 HZ PHE A 58 1.491 -7.865 -7.708 1.00 0.00 H new ATOM 867 N LEU A 59 1.192 -7.687 -0.712 1.00 0.00 N ATOM 868 CA LEU A 59 1.735 -6.452 -0.150 1.00 0.00 C ATOM 869 C LEU A 59 2.871 -6.754 0.823 1.00 0.00 C ATOM 870 O LEU A 59 3.604 -5.854 1.230 1.00 0.00 O ATOM 871 CB LEU A 59 0.631 -5.672 0.571 1.00 0.00 C ATOM 872 CG LEU A 59 -0.295 -5.023 -0.463 1.00 0.00 C ATOM 873 CD1 LEU A 59 -1.681 -4.804 0.153 1.00 0.00 C ATOM 874 CD2 LEU A 59 0.286 -3.673 -0.900 1.00 0.00 C ATOM 0 H LEU A 59 0.201 -7.839 -0.525 1.00 0.00 H new ATOM 0 HA LEU A 59 2.128 -5.849 -0.968 1.00 0.00 H new ATOM 0 HB2 LEU A 59 0.061 -6.340 1.217 1.00 0.00 H new ATOM 0 HB3 LEU A 59 1.070 -4.908 1.212 1.00 0.00 H new ATOM 0 HG LEU A 59 -0.381 -5.679 -1.329 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.338 -4.342 -0.584 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.098 -5.763 0.461 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -1.594 -4.151 1.021 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -0.374 -3.214 -1.635 1.00 0.00 H new ATOM 0 HD22 LEU A 59 0.376 -3.018 -0.033 1.00 0.00 H new ATOM 0 HD23 LEU A 59 1.270 -3.827 -1.342 1.00 0.00 H new ATOM 886 N GLY A 60 3.010 -8.027 1.185 1.00 0.00 N ATOM 887 CA GLY A 60 4.060 -8.447 2.104 1.00 0.00 C ATOM 888 C GLY A 60 5.426 -8.355 1.437 1.00 0.00 C ATOM 889 O GLY A 60 6.297 -7.628 1.899 1.00 0.00 O ATOM 0 H GLY A 60 2.409 -8.783 0.856 1.00 0.00 H new ATOM 0 HA2 GLY A 60 4.042 -7.820 2.996 1.00 0.00 H new ATOM 0 HA3 GLY A 60 3.877 -9.471 2.430 1.00 0.00 H new ATOM 893 N LYS A 61 5.605 -9.095 0.345 1.00 0.00 N ATOM 894 CA LYS A 61 6.876 -9.084 -0.379 1.00 0.00 C ATOM 895 C LYS A 61 7.118 -7.721 -1.022 1.00 0.00 C ATOM 896 O LYS A 61 8.232 -7.198 -0.983 1.00 0.00 O ATOM 897 CB LYS A 61 6.884 -10.166 -1.466 1.00 0.00 C ATOM 898 CG LYS A 61 6.155 -11.414 -0.962 1.00 0.00 C ATOM 899 CD LYS A 61 6.610 -12.636 -1.762 1.00 0.00 C ATOM 900 CE LYS A 61 5.758 -13.848 -1.377 1.00 0.00 C ATOM 901 NZ LYS A 61 4.324 -13.558 -1.655 1.00 0.00 N ATOM 0 H LYS A 61 4.893 -9.705 -0.056 1.00 0.00 H new ATOM 0 HA LYS A 61 7.672 -9.287 0.338 1.00 0.00 H new ATOM 0 HB2 LYS A 61 6.401 -9.791 -2.368 1.00 0.00 H new ATOM 0 HB3 LYS A 61 7.910 -10.417 -1.735 1.00 0.00 H new ATOM 0 HG2 LYS A 61 6.361 -11.564 0.098 1.00 0.00 H new ATOM 0 HG3 LYS A 61 5.078 -11.283 -1.062 1.00 0.00 H new ATOM 0 HD2 LYS A 61 6.518 -12.439 -2.830 1.00 0.00 H new ATOM 0 HD3 LYS A 61 7.662 -12.841 -1.565 1.00 0.00 H new ATOM 0 HE2 LYS A 61 6.078 -14.724 -1.941 1.00 0.00 H new ATOM 0 HE3 LYS A 61 5.895 -14.081 -0.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 3.802 -14.452 -1.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 3.922 -13.010 -0.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 4.245 -13.010 -2.535 1.00 0.00 H new ATOM 914 N GLN A 62 6.067 -7.157 -1.618 1.00 0.00 N ATOM 915 CA GLN A 62 6.171 -5.856 -2.276 1.00 0.00 C ATOM 916 C GLN A 62 6.758 -4.811 -1.329 1.00 0.00 C ATOM 917 O GLN A 62 7.723 -4.125 -1.669 1.00 0.00 O ATOM 918 CB GLN A 62 4.787 -5.401 -2.755 1.00 0.00 C ATOM 919 CG GLN A 62 4.563 -5.854 -4.203 1.00 0.00 C ATOM 920 CD GLN A 62 5.487 -5.080 -5.139 1.00 0.00 C ATOM 921 OE1 GLN A 62 5.196 -3.938 -5.498 1.00 0.00 O ATOM 922 NE2 GLN A 62 6.592 -5.636 -5.557 1.00 0.00 N ATOM 0 H GLN A 62 5.139 -7.579 -1.658 1.00 0.00 H new ATOM 0 HA GLN A 62 6.837 -5.959 -3.133 1.00 0.00 H new ATOM 0 HB2 GLN A 62 4.014 -5.818 -2.110 1.00 0.00 H new ATOM 0 HB3 GLN A 62 4.707 -4.316 -2.687 1.00 0.00 H new ATOM 0 HG2 GLN A 62 4.754 -6.923 -4.292 1.00 0.00 H new ATOM 0 HG3 GLN A 62 3.523 -5.691 -4.487 1.00 0.00 H new ATOM 0 HE21 GLN A 62 6.832 -6.582 -5.259 1.00 0.00 H new ATOM 0 HE22 GLN A 62 7.216 -5.125 -6.182 1.00 0.00 H new ATOM 931 N PHE A 63 6.169 -4.699 -0.142 1.00 0.00 N ATOM 932 CA PHE A 63 6.637 -3.737 0.853 1.00 0.00 C ATOM 933 C PHE A 63 7.579 -4.410 1.851 1.00 0.00 C ATOM 934 O PHE A 63 8.065 -3.772 2.786 1.00 0.00 O ATOM 935 CB PHE A 63 5.441 -3.141 1.600 1.00 0.00 C ATOM 936 CG PHE A 63 4.886 -1.971 0.822 1.00 0.00 C ATOM 937 CD1 PHE A 63 4.205 -2.188 -0.382 1.00 0.00 C ATOM 938 CD2 PHE A 63 5.052 -0.668 1.306 1.00 0.00 C ATOM 939 CE1 PHE A 63 3.694 -1.103 -1.103 1.00 0.00 C ATOM 940 CE2 PHE A 63 4.540 0.417 0.587 1.00 0.00 C ATOM 941 CZ PHE A 63 3.861 0.201 -0.617 1.00 0.00 C ATOM 0 H PHE A 63 5.370 -5.260 0.154 1.00 0.00 H new ATOM 0 HA PHE A 63 7.180 -2.944 0.339 1.00 0.00 H new ATOM 0 HB2 PHE A 63 4.670 -3.899 1.735 1.00 0.00 H new ATOM 0 HB3 PHE A 63 5.746 -2.817 2.595 1.00 0.00 H new ATOM 0 HD1 PHE A 63 4.074 -3.193 -0.754 1.00 0.00 H new ATOM 0 HD2 PHE A 63 5.576 -0.500 2.235 1.00 0.00 H new ATOM 0 HE1 PHE A 63 3.171 -1.270 -2.033 1.00 0.00 H new ATOM 0 HE2 PHE A 63 4.669 1.422 0.961 1.00 0.00 H new ATOM 0 HZ PHE A 63 3.466 1.039 -1.172 1.00 0.00 H new ATOM 951 N ARG A 64 7.821 -5.704 1.642 1.00 0.00 N ATOM 952 CA ARG A 64 8.696 -6.477 2.525 1.00 0.00 C ATOM 953 C ARG A 64 8.205 -6.401 3.974 1.00 0.00 C ATOM 954 O ARG A 64 8.980 -6.132 4.894 1.00 0.00 O ATOM 955 CB ARG A 64 10.142 -5.975 2.417 1.00 0.00 C ATOM 956 CG ARG A 64 10.855 -6.723 1.285 1.00 0.00 C ATOM 957 CD ARG A 64 12.101 -5.946 0.854 1.00 0.00 C ATOM 958 NE ARG A 64 11.771 -5.010 -0.218 1.00 0.00 N ATOM 959 CZ ARG A 64 12.710 -4.524 -1.028 1.00 0.00 C ATOM 960 NH1 ARG A 64 13.866 -5.123 -1.127 1.00 0.00 N ATOM 961 NH2 ARG A 64 12.472 -3.447 -1.723 1.00 0.00 N ATOM 0 H ARG A 64 7.424 -6.239 0.870 1.00 0.00 H new ATOM 0 HA ARG A 64 8.668 -7.520 2.211 1.00 0.00 H new ATOM 0 HB2 ARG A 64 10.153 -4.902 2.223 1.00 0.00 H new ATOM 0 HB3 ARG A 64 10.666 -6.134 3.360 1.00 0.00 H new ATOM 0 HG2 ARG A 64 11.135 -7.722 1.617 1.00 0.00 H new ATOM 0 HG3 ARG A 64 10.181 -6.846 0.437 1.00 0.00 H new ATOM 0 HD2 ARG A 64 12.512 -5.404 1.706 1.00 0.00 H new ATOM 0 HD3 ARG A 64 12.871 -6.639 0.516 1.00 0.00 H new ATOM 0 HE ARG A 64 10.801 -4.723 -0.349 1.00 0.00 H new ATOM 0 HH11 ARG A 64 14.052 -5.966 -0.583 1.00 0.00 H new ATOM 0 HH12 ARG A 64 14.583 -4.748 -1.748 1.00 0.00 H new ATOM 0 HH21 ARG A 64 11.569 -2.979 -1.645 1.00 0.00 H new ATOM 0 HH22 ARG A 64 13.189 -3.072 -2.344 1.00 0.00 H new ATOM 975 N VAL A 65 6.908 -6.648 4.162 1.00 0.00 N ATOM 976 CA VAL A 65 6.301 -6.615 5.492 1.00 0.00 C ATOM 977 C VAL A 65 5.393 -7.832 5.699 1.00 0.00 C ATOM 978 O VAL A 65 5.453 -8.799 4.940 1.00 0.00 O ATOM 979 CB VAL A 65 5.487 -5.326 5.670 1.00 0.00 C ATOM 980 CG1 VAL A 65 6.413 -4.110 5.571 1.00 0.00 C ATOM 981 CG2 VAL A 65 4.414 -5.241 4.580 1.00 0.00 C ATOM 0 H VAL A 65 6.258 -6.873 3.409 1.00 0.00 H new ATOM 0 HA VAL A 65 7.099 -6.641 6.234 1.00 0.00 H new ATOM 0 HB VAL A 65 5.010 -5.337 6.650 1.00 0.00 H new ATOM 0 HG11 VAL A 65 5.830 -3.198 5.698 1.00 0.00 H new ATOM 0 HG12 VAL A 65 7.173 -4.167 6.351 1.00 0.00 H new ATOM 0 HG13 VAL A 65 6.896 -4.099 4.594 1.00 0.00 H new ATOM 0 HG21 VAL A 65 3.837 -4.325 4.708 1.00 0.00 H new ATOM 0 HG22 VAL A 65 4.891 -5.236 3.600 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.750 -6.102 4.656 1.00 0.00 H new ATOM 991 N ALA A 66 4.555 -7.771 6.737 1.00 0.00 N ATOM 992 CA ALA A 66 3.632 -8.864 7.051 1.00 0.00 C ATOM 993 C ALA A 66 2.674 -8.445 8.162 1.00 0.00 C ATOM 994 O ALA A 66 2.731 -7.314 8.639 1.00 0.00 O ATOM 995 CB ALA A 66 4.414 -10.104 7.498 1.00 0.00 C ATOM 0 H ALA A 66 4.497 -6.976 7.374 1.00 0.00 H new ATOM 0 HA ALA A 66 3.061 -9.100 6.153 1.00 0.00 H new ATOM 0 HB1 ALA A 66 3.717 -10.910 7.729 1.00 0.00 H new ATOM 0 HB2 ALA A 66 5.083 -10.421 6.698 1.00 0.00 H new ATOM 0 HB3 ALA A 66 4.999 -9.865 8.386 1.00 0.00 H new ATOM 1001 N LYS A 67 1.796 -9.364 8.564 1.00 0.00 N ATOM 1002 CA LYS A 67 0.819 -9.091 9.622 1.00 0.00 C ATOM 1003 C LYS A 67 1.465 -8.358 10.798 1.00 0.00 C ATOM 1004 O LYS A 67 0.825 -7.540 11.460 1.00 0.00 O ATOM 1005 CB LYS A 67 0.219 -10.409 10.117 1.00 0.00 C ATOM 1006 CG LYS A 67 1.299 -11.215 10.848 1.00 0.00 C ATOM 1007 CD LYS A 67 0.938 -12.703 10.839 1.00 0.00 C ATOM 1008 CE LYS A 67 1.885 -13.467 11.772 1.00 0.00 C ATOM 1009 NZ LYS A 67 1.641 -13.049 13.179 1.00 0.00 N ATOM 0 H LYS A 67 1.740 -10.305 8.174 1.00 0.00 H new ATOM 0 HA LYS A 67 0.038 -8.454 9.206 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -0.619 -10.212 10.786 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -0.172 -10.982 9.276 1.00 0.00 H new ATOM 0 HG2 LYS A 67 2.265 -11.064 10.367 1.00 0.00 H new ATOM 0 HG3 LYS A 67 1.395 -10.862 11.875 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -0.094 -12.839 11.161 1.00 0.00 H new ATOM 0 HD3 LYS A 67 1.011 -13.099 9.826 1.00 0.00 H new ATOM 0 HE2 LYS A 67 1.727 -14.540 11.668 1.00 0.00 H new ATOM 0 HE3 LYS A 67 2.921 -13.269 11.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 1.951 -13.803 13.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 2.175 -12.180 13.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 0.626 -12.871 13.317 1.00 0.00 H new ATOM 1022 N SER A 68 2.738 -8.663 11.049 1.00 0.00 N ATOM 1023 CA SER A 68 3.480 -8.039 12.143 1.00 0.00 C ATOM 1024 C SER A 68 3.546 -6.520 11.958 1.00 0.00 C ATOM 1025 O SER A 68 4.029 -5.796 12.831 1.00 0.00 O ATOM 1026 CB SER A 68 4.895 -8.631 12.192 1.00 0.00 C ATOM 1027 OG SER A 68 5.827 -7.645 12.617 1.00 0.00 O ATOM 0 H SER A 68 3.277 -9.339 10.508 1.00 0.00 H new ATOM 0 HA SER A 68 2.966 -8.240 13.083 1.00 0.00 H new ATOM 0 HB2 SER A 68 4.918 -9.481 12.874 1.00 0.00 H new ATOM 0 HB3 SER A 68 5.175 -9.005 11.207 1.00 0.00 H new ATOM 0 HG SER A 68 5.362 -6.958 13.138 1.00 0.00 H new ATOM 1033 N GLN A 69 3.054 -6.051 10.811 1.00 0.00 N ATOM 1034 CA GLN A 69 3.056 -4.622 10.501 1.00 0.00 C ATOM 1035 C GLN A 69 1.832 -4.232 9.669 1.00 0.00 C ATOM 1036 O GLN A 69 1.359 -3.100 9.750 1.00 0.00 O ATOM 1037 CB GLN A 69 4.332 -4.268 9.735 1.00 0.00 C ATOM 1038 CG GLN A 69 5.523 -4.307 10.693 1.00 0.00 C ATOM 1039 CD GLN A 69 6.784 -3.820 9.989 1.00 0.00 C ATOM 1040 OE1 GLN A 69 6.762 -3.538 8.790 1.00 0.00 O ATOM 1041 NE2 GLN A 69 7.891 -3.705 10.669 1.00 0.00 N ATOM 0 H GLN A 69 2.650 -6.639 10.082 1.00 0.00 H new ATOM 0 HA GLN A 69 3.019 -4.068 11.439 1.00 0.00 H new ATOM 0 HB2 GLN A 69 4.486 -4.971 8.917 1.00 0.00 H new ATOM 0 HB3 GLN A 69 4.240 -3.277 9.291 1.00 0.00 H new ATOM 0 HG2 GLN A 69 5.319 -3.682 11.563 1.00 0.00 H new ATOM 0 HG3 GLN A 69 5.672 -5.323 11.058 1.00 0.00 H new ATOM 0 HE21 GLN A 69 7.906 -3.939 11.662 1.00 0.00 H new ATOM 0 HE22 GLN A 69 8.741 -3.381 10.208 1.00 0.00 H new ATOM 1050 N VAL A 70 1.324 -5.170 8.869 1.00 0.00 N ATOM 1051 CA VAL A 70 0.160 -4.897 8.031 1.00 0.00 C ATOM 1052 C VAL A 70 -1.119 -5.087 8.838 1.00 0.00 C ATOM 1053 O VAL A 70 -1.313 -6.121 9.479 1.00 0.00 O ATOM 1054 CB VAL A 70 0.155 -5.834 6.815 1.00 0.00 C ATOM 1055 CG1 VAL A 70 -1.172 -5.705 6.060 1.00 0.00 C ATOM 1056 CG2 VAL A 70 1.306 -5.460 5.875 1.00 0.00 C ATOM 0 H VAL A 70 1.697 -6.116 8.785 1.00 0.00 H new ATOM 0 HA VAL A 70 0.211 -3.865 7.683 1.00 0.00 H new ATOM 0 HB VAL A 70 0.277 -6.861 7.159 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -1.167 -6.373 5.199 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -1.995 -5.973 6.722 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.299 -4.677 5.721 1.00 0.00 H new ATOM 0 HG21 VAL A 70 1.302 -6.126 5.012 1.00 0.00 H new ATOM 0 HG22 VAL A 70 1.182 -4.430 5.540 1.00 0.00 H new ATOM 0 HG23 VAL A 70 2.254 -5.558 6.404 1.00 0.00 H new ATOM 1066 N VAL A 71 -1.979 -4.072 8.811 1.00 0.00 N ATOM 1067 CA VAL A 71 -3.234 -4.119 9.552 1.00 0.00 C ATOM 1068 C VAL A 71 -4.367 -3.526 8.723 1.00 0.00 C ATOM 1069 O VAL A 71 -4.275 -2.391 8.255 1.00 0.00 O ATOM 1070 CB VAL A 71 -3.091 -3.325 10.859 1.00 0.00 C ATOM 1071 CG1 VAL A 71 -4.279 -3.624 11.775 1.00 0.00 C ATOM 1072 CG2 VAL A 71 -1.791 -3.721 11.567 1.00 0.00 C ATOM 0 H VAL A 71 -1.830 -3.210 8.286 1.00 0.00 H new ATOM 0 HA VAL A 71 -3.467 -5.160 9.775 1.00 0.00 H new ATOM 0 HB VAL A 71 -3.068 -2.260 10.629 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -4.175 -3.059 12.702 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -5.204 -3.336 11.276 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -4.305 -4.690 12.001 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -1.694 -3.155 12.493 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -1.810 -4.787 11.793 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -0.943 -3.503 10.918 1.00 0.00 H new ATOM 1082 N ILE A 72 -5.442 -4.297 8.555 1.00 0.00 N ATOM 1083 CA ILE A 72 -6.594 -3.828 7.790 1.00 0.00 C ATOM 1084 C ILE A 72 -7.381 -2.815 8.616 1.00 0.00 C ATOM 1085 O ILE A 72 -7.709 -3.068 9.775 1.00 0.00 O ATOM 1086 CB ILE A 72 -7.502 -5.005 7.410 1.00 0.00 C ATOM 1087 CG1 ILE A 72 -6.675 -6.097 6.716 1.00 0.00 C ATOM 1088 CG2 ILE A 72 -8.599 -4.519 6.455 1.00 0.00 C ATOM 1089 CD1 ILE A 72 -7.430 -7.429 6.772 1.00 0.00 C ATOM 0 H ILE A 72 -5.538 -5.239 8.934 1.00 0.00 H new ATOM 0 HA ILE A 72 -6.238 -3.353 6.876 1.00 0.00 H new ATOM 0 HB ILE A 72 -7.955 -5.412 8.314 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -6.484 -5.819 5.679 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -5.705 -6.197 7.203 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -9.244 -5.356 6.185 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -9.192 -3.747 6.945 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -8.142 -4.108 5.555 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -6.841 -8.202 6.279 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -7.598 -7.709 7.812 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -8.389 -7.325 6.265 1.00 0.00 H new ATOM 1101 N GLU A 73 -7.666 -1.665 8.016 1.00 0.00 N ATOM 1102 CA GLU A 73 -8.401 -0.612 8.708 1.00 0.00 C ATOM 1103 C GLU A 73 -9.908 -0.767 8.507 1.00 0.00 C ATOM 1104 O GLU A 73 -10.614 -1.218 9.409 1.00 0.00 O ATOM 1105 CB GLU A 73 -7.945 0.756 8.191 1.00 0.00 C ATOM 1106 CG GLU A 73 -6.471 0.976 8.550 1.00 0.00 C ATOM 1107 CD GLU A 73 -6.350 1.443 9.998 1.00 0.00 C ATOM 1108 OE1 GLU A 73 -6.421 2.641 10.220 1.00 0.00 O ATOM 1109 OE2 GLU A 73 -6.188 0.598 10.864 1.00 0.00 O ATOM 0 H GLU A 73 -7.401 -1.438 7.057 1.00 0.00 H new ATOM 0 HA GLU A 73 -8.192 -0.691 9.775 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -8.079 0.811 7.111 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -8.558 1.544 8.628 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -5.912 0.051 8.410 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -6.032 1.718 7.882 1.00 0.00 H new ATOM 1116 N LYS A 74 -10.391 -0.385 7.326 1.00 0.00 N ATOM 1117 CA LYS A 74 -11.818 -0.478 7.020 1.00 0.00 C ATOM 1118 C LYS A 74 -12.047 -0.526 5.515 1.00 0.00 C ATOM 1119 O LYS A 74 -11.097 -0.524 4.731 1.00 0.00 O ATOM 1120 CB LYS A 74 -12.556 0.731 7.599 1.00 0.00 C ATOM 1121 CG LYS A 74 -13.304 0.333 8.877 1.00 0.00 C ATOM 1122 CD LYS A 74 -13.499 1.567 9.769 1.00 0.00 C ATOM 1123 CE LYS A 74 -14.435 2.571 9.082 1.00 0.00 C ATOM 1124 NZ LYS A 74 -13.717 3.250 7.965 1.00 0.00 N ATOM 0 H LYS A 74 -9.819 -0.010 6.569 1.00 0.00 H new ATOM 0 HA LYS A 74 -12.201 -1.395 7.467 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -11.846 1.529 7.818 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -13.259 1.123 6.864 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -14.271 -0.101 8.623 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -12.743 -0.431 9.415 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -13.916 1.268 10.731 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -12.536 2.035 9.971 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -15.317 2.057 8.700 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -14.784 3.309 9.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -13.975 4.257 7.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -12.691 3.158 8.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -13.984 2.809 7.062 1.00 0.00 H new ATOM 1137 N GLY A 75 -13.317 -0.583 5.120 1.00 0.00 N ATOM 1138 CA GLY A 75 -13.667 -0.652 3.707 1.00 0.00 C ATOM 1139 C GLY A 75 -13.444 -2.067 3.196 1.00 0.00 C ATOM 1140 O GLY A 75 -13.639 -2.359 2.015 1.00 0.00 O ATOM 0 H GLY A 75 -14.115 -0.583 5.755 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -14.708 -0.363 3.565 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -13.060 0.051 3.137 1.00 0.00 H new ATOM 1144 N GLU A 76 -13.028 -2.936 4.113 1.00 0.00 N ATOM 1145 CA GLU A 76 -12.764 -4.338 3.794 1.00 0.00 C ATOM 1146 C GLU A 76 -13.951 -4.989 3.087 1.00 0.00 C ATOM 1147 O GLU A 76 -13.796 -6.023 2.441 1.00 0.00 O ATOM 1148 CB GLU A 76 -12.447 -5.116 5.078 1.00 0.00 C ATOM 1149 CG GLU A 76 -13.211 -4.508 6.262 1.00 0.00 C ATOM 1150 CD GLU A 76 -13.370 -5.541 7.375 1.00 0.00 C ATOM 1151 OE1 GLU A 76 -12.389 -6.193 7.699 1.00 0.00 O ATOM 1152 OE2 GLU A 76 -14.469 -5.663 7.890 1.00 0.00 O ATOM 0 H GLU A 76 -12.865 -2.693 5.090 1.00 0.00 H new ATOM 0 HA GLU A 76 -11.908 -4.367 3.119 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -12.723 -6.163 4.956 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -11.375 -5.089 5.274 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -12.677 -3.636 6.639 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -14.191 -4.164 5.933 1.00 0.00 H new ATOM 1159 N LEU A 77 -15.134 -4.389 3.217 1.00 0.00 N ATOM 1160 CA LEU A 77 -16.331 -4.941 2.585 1.00 0.00 C ATOM 1161 C LEU A 77 -16.500 -4.401 1.165 1.00 0.00 C ATOM 1162 O LEU A 77 -17.583 -3.948 0.791 1.00 0.00 O ATOM 1163 CB LEU A 77 -17.577 -4.595 3.411 1.00 0.00 C ATOM 1164 CG LEU A 77 -17.365 -4.963 4.884 1.00 0.00 C ATOM 1165 CD1 LEU A 77 -18.701 -4.852 5.622 1.00 0.00 C ATOM 1166 CD2 LEU A 77 -16.845 -6.401 4.991 1.00 0.00 C ATOM 0 H LEU A 77 -15.288 -3.531 3.747 1.00 0.00 H new ATOM 0 HA LEU A 77 -16.214 -6.024 2.538 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -17.794 -3.530 3.324 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -18.441 -5.130 3.017 1.00 0.00 H new ATOM 0 HG LEU A 77 -16.636 -4.285 5.327 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -18.560 -5.112 6.671 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -19.074 -3.830 5.548 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -19.423 -5.534 5.173 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -16.696 -6.657 6.040 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -17.571 -7.084 4.550 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -15.897 -6.486 4.459 1.00 0.00 H new ATOM 1178 N GLY A 78 -15.430 -4.459 0.374 1.00 0.00 N ATOM 1179 CA GLY A 78 -15.496 -3.976 -1.003 1.00 0.00 C ATOM 1180 C GLY A 78 -14.116 -3.645 -1.557 1.00 0.00 C ATOM 1181 O GLY A 78 -13.094 -4.086 -1.027 1.00 0.00 O ATOM 0 H GLY A 78 -14.522 -4.829 0.656 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -15.967 -4.733 -1.631 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -16.127 -3.088 -1.046 1.00 0.00 H new ATOM 1185 N ARG A 79 -14.107 -2.863 -2.632 1.00 0.00 N ATOM 1186 CA ARG A 79 -12.863 -2.460 -3.280 1.00 0.00 C ATOM 1187 C ARG A 79 -12.179 -1.373 -2.465 1.00 0.00 C ATOM 1188 O ARG A 79 -11.013 -1.508 -2.090 1.00 0.00 O ATOM 1189 CB ARG A 79 -13.153 -1.939 -4.693 1.00 0.00 C ATOM 1190 CG ARG A 79 -14.352 -2.693 -5.282 1.00 0.00 C ATOM 1191 CD ARG A 79 -14.486 -2.379 -6.774 1.00 0.00 C ATOM 1192 NE ARG A 79 -15.828 -2.717 -7.238 1.00 0.00 N ATOM 1193 CZ ARG A 79 -16.344 -3.925 -7.028 1.00 0.00 C ATOM 1194 NH1 ARG A 79 -15.787 -4.975 -7.566 1.00 0.00 N ATOM 1195 NH2 ARG A 79 -17.405 -4.057 -6.283 1.00 0.00 N ATOM 0 H ARG A 79 -14.949 -2.495 -3.074 1.00 0.00 H new ATOM 0 HA ARG A 79 -12.204 -3.326 -3.345 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -13.362 -0.870 -4.662 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -12.278 -2.074 -5.328 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -14.224 -3.766 -5.138 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -15.264 -2.408 -4.758 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -14.287 -1.322 -6.951 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -13.744 -2.942 -7.340 1.00 0.00 H new ATOM 0 HE ARG A 79 -16.379 -2.015 -7.732 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -14.956 -4.870 -8.148 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -16.183 -5.901 -7.405 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -17.838 -3.235 -5.862 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -17.802 -4.982 -6.121 1.00 0.00 H new ATOM 1209 N HIS A 80 -12.920 -0.301 -2.189 1.00 0.00 N ATOM 1210 CA HIS A 80 -12.393 0.812 -1.408 1.00 0.00 C ATOM 1211 C HIS A 80 -12.002 0.328 -0.017 1.00 0.00 C ATOM 1212 O HIS A 80 -12.856 0.155 0.852 1.00 0.00 O ATOM 1213 CB HIS A 80 -13.440 1.929 -1.296 1.00 0.00 C ATOM 1214 CG HIS A 80 -14.797 1.335 -1.031 1.00 0.00 C ATOM 1215 ND1 HIS A 80 -15.743 0.800 -1.868 1.00 0.00 N flip ATOM 1216 CD2 HIS A 80 -15.326 1.239 0.247 1.00 0.00 C flip ATOM 1217 CE1 HIS A 80 -16.841 0.377 -1.127 1.00 0.00 C flip ATOM 1218 NE2 HIS A 80 -16.539 0.665 0.142 1.00 0.00 N flip ATOM 0 H HIS A 80 -13.886 -0.182 -2.495 1.00 0.00 H new ATOM 0 HA HIS A 80 -11.511 1.208 -1.912 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -13.170 2.613 -0.492 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -13.462 2.512 -2.217 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -14.851 1.565 1.160 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -17.744 -0.085 -1.498 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -17.152 0.473 0.934 1.00 0.00 H new ATOM 1226 N LYS A 81 -10.708 0.098 0.180 1.00 0.00 N ATOM 1227 CA LYS A 81 -10.217 -0.382 1.468 1.00 0.00 C ATOM 1228 C LYS A 81 -8.916 0.319 1.836 1.00 0.00 C ATOM 1229 O LYS A 81 -8.109 0.644 0.966 1.00 0.00 O ATOM 1230 CB LYS A 81 -9.990 -1.897 1.395 1.00 0.00 C ATOM 1231 CG LYS A 81 -9.618 -2.444 2.780 1.00 0.00 C ATOM 1232 CD LYS A 81 -9.361 -3.955 2.687 1.00 0.00 C ATOM 1233 CE LYS A 81 -7.865 -4.219 2.474 1.00 0.00 C ATOM 1234 NZ LYS A 81 -7.345 -3.329 1.397 1.00 0.00 N ATOM 0 H LYS A 81 -9.986 0.234 -0.528 1.00 0.00 H new ATOM 0 HA LYS A 81 -10.959 -0.161 2.235 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -10.891 -2.390 1.031 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -9.195 -2.119 0.683 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -8.729 -1.937 3.156 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -10.422 -2.245 3.488 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -9.700 -4.447 3.599 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -9.935 -4.380 1.864 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -7.319 -4.041 3.401 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -7.705 -5.263 2.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -6.324 -3.487 1.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -7.834 -3.542 0.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -7.514 -2.336 1.655 1.00 0.00 H new ATOM 1247 N GLN A 82 -8.721 0.552 3.131 1.00 0.00 N ATOM 1248 CA GLN A 82 -7.515 1.221 3.605 1.00 0.00 C ATOM 1249 C GLN A 82 -6.694 0.285 4.483 1.00 0.00 C ATOM 1250 O GLN A 82 -7.242 -0.580 5.168 1.00 0.00 O ATOM 1251 CB GLN A 82 -7.893 2.475 4.398 1.00 0.00 C ATOM 1252 CG GLN A 82 -8.501 3.516 3.455 1.00 0.00 C ATOM 1253 CD GLN A 82 -9.993 3.248 3.270 1.00 0.00 C ATOM 1254 OE1 GLN A 82 -10.460 3.078 2.142 1.00 0.00 O ATOM 1255 NE2 GLN A 82 -10.773 3.198 4.315 1.00 0.00 N ATOM 0 H GLN A 82 -9.378 0.289 3.866 1.00 0.00 H new ATOM 0 HA GLN A 82 -6.914 1.506 2.741 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -8.606 2.220 5.182 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -7.011 2.886 4.890 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -8.351 4.517 3.860 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -7.995 3.483 2.490 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -10.385 3.339 5.248 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -11.770 3.018 4.199 1.00 0.00 H new ATOM 1264 N ILE A 83 -5.375 0.466 4.454 1.00 0.00 N ATOM 1265 CA ILE A 83 -4.469 -0.364 5.246 1.00 0.00 C ATOM 1266 C ILE A 83 -3.339 0.493 5.806 1.00 0.00 C ATOM 1267 O ILE A 83 -2.770 1.326 5.098 1.00 0.00 O ATOM 1268 CB ILE A 83 -3.871 -1.486 4.383 1.00 0.00 C ATOM 1269 CG1 ILE A 83 -4.973 -2.162 3.556 1.00 0.00 C ATOM 1270 CG2 ILE A 83 -3.216 -2.532 5.291 1.00 0.00 C ATOM 1271 CD1 ILE A 83 -5.242 -1.353 2.284 1.00 0.00 C ATOM 0 H ILE A 83 -4.910 1.179 3.892 1.00 0.00 H new ATOM 0 HA ILE A 83 -5.036 -0.808 6.064 1.00 0.00 H new ATOM 0 HB ILE A 83 -3.128 -1.057 3.711 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -4.673 -3.177 3.295 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -5.886 -2.241 4.147 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -2.791 -3.329 4.681 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -2.425 -2.062 5.876 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -3.965 -2.950 5.963 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -6.025 -1.839 1.702 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -5.562 -0.347 2.554 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -4.330 -1.297 1.689 1.00 0.00 H new ATOM 1283 N LYS A 84 -3.024 0.285 7.081 1.00 0.00 N ATOM 1284 CA LYS A 84 -1.964 1.047 7.732 1.00 0.00 C ATOM 1285 C LYS A 84 -0.673 0.234 7.800 1.00 0.00 C ATOM 1286 O LYS A 84 -0.621 -0.810 8.450 1.00 0.00 O ATOM 1287 CB LYS A 84 -2.404 1.439 9.146 1.00 0.00 C ATOM 1288 CG LYS A 84 -1.575 2.633 9.630 1.00 0.00 C ATOM 1289 CD LYS A 84 -1.900 2.929 11.097 1.00 0.00 C ATOM 1290 CE LYS A 84 -3.045 3.943 11.175 1.00 0.00 C ATOM 1291 NZ LYS A 84 -3.508 4.063 12.586 1.00 0.00 N ATOM 0 H LYS A 84 -3.484 -0.400 7.680 1.00 0.00 H new ATOM 0 HA LYS A 84 -1.774 1.946 7.145 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -3.464 1.694 9.150 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -2.276 0.596 9.824 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -0.512 2.418 9.520 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -1.789 3.508 9.017 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -2.180 2.009 11.611 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -1.018 3.321 11.603 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -2.711 4.913 10.807 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -3.870 3.626 10.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -4.286 4.752 12.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -3.842 3.137 12.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -2.720 4.384 13.184 1.00 0.00 H new ATOM 1304 N ILE A 85 0.369 0.726 7.132 1.00 0.00 N ATOM 1305 CA ILE A 85 1.663 0.046 7.132 1.00 0.00 C ATOM 1306 C ILE A 85 2.527 0.574 8.273 1.00 0.00 C ATOM 1307 O ILE A 85 3.052 1.687 8.205 1.00 0.00 O ATOM 1308 CB ILE A 85 2.379 0.262 5.794 1.00 0.00 C ATOM 1309 CG1 ILE A 85 1.432 -0.073 4.630 1.00 0.00 C ATOM 1310 CG2 ILE A 85 3.613 -0.644 5.722 1.00 0.00 C ATOM 1311 CD1 ILE A 85 0.791 -1.446 4.850 1.00 0.00 C ATOM 0 H ILE A 85 0.343 1.588 6.587 1.00 0.00 H new ATOM 0 HA ILE A 85 1.497 -1.022 7.272 1.00 0.00 H new ATOM 0 HB ILE A 85 2.684 1.306 5.718 1.00 0.00 H new ATOM 0 HG12 ILE A 85 0.657 0.690 4.550 1.00 0.00 H new ATOM 0 HG13 ILE A 85 1.983 -0.067 3.690 1.00 0.00 H new ATOM 0 HG21 ILE A 85 4.122 -0.490 4.771 1.00 0.00 H new ATOM 0 HG22 ILE A 85 4.291 -0.401 6.540 1.00 0.00 H new ATOM 0 HG23 ILE A 85 3.305 -1.686 5.804 1.00 0.00 H new ATOM 0 HD11 ILE A 85 0.122 -1.673 4.020 1.00 0.00 H new ATOM 0 HD12 ILE A 85 1.570 -2.206 4.907 1.00 0.00 H new ATOM 0 HD13 ILE A 85 0.224 -1.438 5.781 1.00 0.00 H new ATOM 1323 N ILE A 86 2.654 -0.224 9.329 1.00 0.00 N ATOM 1324 CA ILE A 86 3.440 0.174 10.494 1.00 0.00 C ATOM 1325 C ILE A 86 4.928 -0.104 10.272 1.00 0.00 C ATOM 1326 O ILE A 86 5.303 -1.178 9.805 1.00 0.00 O ATOM 1327 CB ILE A 86 2.940 -0.591 11.728 1.00 0.00 C ATOM 1328 CG1 ILE A 86 1.632 0.038 12.235 1.00 0.00 C ATOM 1329 CG2 ILE A 86 3.990 -0.526 12.842 1.00 0.00 C ATOM 1330 CD1 ILE A 86 0.516 -0.165 11.206 1.00 0.00 C ATOM 0 H ILE A 86 2.225 -1.146 9.403 1.00 0.00 H new ATOM 0 HA ILE A 86 3.318 1.246 10.651 1.00 0.00 H new ATOM 0 HB ILE A 86 2.765 -1.631 11.451 1.00 0.00 H new ATOM 0 HG12 ILE A 86 1.347 -0.413 13.185 1.00 0.00 H new ATOM 0 HG13 ILE A 86 1.779 1.102 12.419 1.00 0.00 H new ATOM 0 HG21 ILE A 86 3.629 -1.071 13.714 1.00 0.00 H new ATOM 0 HG22 ILE A 86 4.919 -0.976 12.493 1.00 0.00 H new ATOM 0 HG23 ILE A 86 4.170 0.515 13.113 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -0.406 0.284 11.575 1.00 0.00 H new ATOM 0 HD12 ILE A 86 0.798 0.307 10.265 1.00 0.00 H new ATOM 0 HD13 ILE A 86 0.360 -1.232 11.044 1.00 0.00 H new ATOM 1342 N ASN A 87 5.762 0.882 10.627 1.00 0.00 N ATOM 1343 CA ASN A 87 7.220 0.774 10.490 1.00 0.00 C ATOM 1344 C ASN A 87 7.619 -0.207 9.385 1.00 0.00 C ATOM 1345 O ASN A 87 7.906 -1.371 9.657 1.00 0.00 O ATOM 1346 CB ASN A 87 7.832 0.327 11.823 1.00 0.00 C ATOM 1347 CG ASN A 87 7.469 1.320 12.923 1.00 0.00 C ATOM 1348 OD1 ASN A 87 6.543 1.012 13.788 1.00 0.00 O flip ATOM 1349 ND2 ASN A 87 8.043 2.407 12.994 1.00 0.00 N flip ATOM 0 H ASN A 87 5.448 1.771 11.015 1.00 0.00 H new ATOM 0 HA ASN A 87 7.601 1.757 10.214 1.00 0.00 H new ATOM 0 HB2 ASN A 87 7.468 -0.667 12.084 1.00 0.00 H new ATOM 0 HB3 ASN A 87 8.916 0.256 11.729 1.00 0.00 H new ATOM 0 HD21 ASN A 87 8.767 2.647 12.317 1.00 0.00 H new ATOM 0 HD22 ASN A 87 7.794 3.068 13.730 1.00 0.00 H new ATOM 1356 N PRO A 88 7.648 0.239 8.154 1.00 0.00 N ATOM 1357 CA PRO A 88 8.022 -0.623 6.998 1.00 0.00 C ATOM 1358 C PRO A 88 9.516 -0.943 6.985 1.00 0.00 C ATOM 1359 O PRO A 88 10.168 -0.922 8.029 1.00 0.00 O ATOM 1360 CB PRO A 88 7.615 0.191 5.757 1.00 0.00 C ATOM 1361 CG PRO A 88 7.024 1.479 6.246 1.00 0.00 C ATOM 1362 CD PRO A 88 7.337 1.607 7.735 1.00 0.00 C ATOM 0 HA PRO A 88 7.524 -1.591 7.040 1.00 0.00 H new ATOM 0 HB2 PRO A 88 8.480 0.381 5.121 1.00 0.00 H new ATOM 0 HB3 PRO A 88 6.892 -0.360 5.155 1.00 0.00 H new ATOM 0 HG2 PRO A 88 7.440 2.323 5.695 1.00 0.00 H new ATOM 0 HG3 PRO A 88 5.947 1.491 6.081 1.00 0.00 H new ATOM 0 HD2 PRO A 88 8.178 2.278 7.909 1.00 0.00 H new ATOM 0 HD3 PRO A 88 6.488 2.010 8.288 1.00 0.00 H new ATOM 1370 N GLN A 89 10.048 -1.232 5.800 1.00 0.00 N ATOM 1371 CA GLN A 89 11.466 -1.556 5.652 1.00 0.00 C ATOM 1372 C GLN A 89 11.951 -1.078 4.291 1.00 0.00 C ATOM 1373 O GLN A 89 12.947 -0.361 4.190 1.00 0.00 O ATOM 1374 CB GLN A 89 11.702 -3.075 5.748 1.00 0.00 C ATOM 1375 CG GLN A 89 10.804 -3.709 6.821 1.00 0.00 C ATOM 1376 CD GLN A 89 11.298 -3.345 8.220 1.00 0.00 C ATOM 1377 OE1 GLN A 89 12.211 -2.534 8.371 1.00 0.00 O ATOM 1378 NE2 GLN A 89 10.740 -3.901 9.261 1.00 0.00 N ATOM 0 H GLN A 89 9.519 -1.249 4.928 1.00 0.00 H new ATOM 0 HA GLN A 89 12.013 -1.061 6.455 1.00 0.00 H new ATOM 0 HB2 GLN A 89 11.502 -3.539 4.782 1.00 0.00 H new ATOM 0 HB3 GLN A 89 12.748 -3.269 5.984 1.00 0.00 H new ATOM 0 HG2 GLN A 89 9.777 -3.367 6.692 1.00 0.00 H new ATOM 0 HG3 GLN A 89 10.796 -4.793 6.703 1.00 0.00 H new ATOM 0 HE21 GLN A 89 9.983 -4.573 9.136 1.00 0.00 H new ATOM 0 HE22 GLN A 89 11.061 -3.663 10.200 1.00 0.00 H new ATOM 1387 N GLN A 90 11.229 -1.477 3.250 1.00 0.00 N ATOM 1388 CA GLN A 90 11.571 -1.088 1.889 1.00 0.00 C ATOM 1389 C GLN A 90 10.303 -0.841 1.082 1.00 0.00 C ATOM 1390 O GLN A 90 9.192 -0.951 1.605 1.00 0.00 O ATOM 1391 CB GLN A 90 12.397 -2.186 1.214 1.00 0.00 C ATOM 1392 CG GLN A 90 13.742 -2.340 1.925 1.00 0.00 C ATOM 1393 CD GLN A 90 14.681 -3.203 1.085 1.00 0.00 C ATOM 1394 OE1 GLN A 90 15.045 -2.824 -0.029 1.00 0.00 O ATOM 1395 NE2 GLN A 90 15.097 -4.349 1.555 1.00 0.00 N ATOM 0 H GLN A 90 10.403 -2.070 3.324 1.00 0.00 H new ATOM 0 HA GLN A 90 12.159 -0.171 1.929 1.00 0.00 H new ATOM 0 HB2 GLN A 90 11.853 -3.130 1.240 1.00 0.00 H new ATOM 0 HB3 GLN A 90 12.557 -1.939 0.165 1.00 0.00 H new ATOM 0 HG2 GLN A 90 14.188 -1.360 2.093 1.00 0.00 H new ATOM 0 HG3 GLN A 90 13.595 -2.795 2.904 1.00 0.00 H new ATOM 0 HE21 GLN A 90 14.795 -4.662 2.478 1.00 0.00 H new ATOM 0 HE22 GLN A 90 15.724 -4.931 0.999 1.00 0.00 H new