USER MOD reduce.3.24.130724 H: found=0, std=0, add=669, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 670 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 61 GLN : amide:sc= -0.0195 X(o=-0.019,f=-0.23) USER MOD Set 1.2: A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 25 GLN : amide:sc= -0.406 X(o=-3.1,f=-3.5) USER MOD Set 2.2: A 37 MET CE :methyl 138:sc= -2.71! (180deg=-5.21!) USER MOD Single : A 7 ASN : amide:sc= 0 X(o=0,f=-0.0012) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= -0.56 USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 GLN : amide:sc= -3.17 K(o=-3.2,f=-9.9!) USER MOD Single : A 28 ASN : amide:sc= -2.63 K(o=-2.6,f=-5.3!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl 168:sc= -2.01 (180deg=-2.38) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 TYR OH : rot 180:sc= -0.705 USER MOD Single : A 50 ASN : amide:sc= -5.08! C(o=-5.1!,f=-4.8!) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 144:sc= 0.558 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 GLN : amide:sc= -0.36 X(o=-0.36,f=-0.043) USER MOD Single : A 68 GLN : amide:sc= -2.83! C(o=-2.8!,f=-10!) USER MOD Single : A 72 GLN : amide:sc=-0.00944 X(o=-0.0094,f=0) USER MOD Single : A 75 ASN : amide:sc= -0.632 K(o=-0.63,f=-0.12) USER MOD Single : A 76 THR OG1 : rot 105:sc= 1.2 USER MOD Single : A 79 ASN : amide:sc= -1.35 K(o=-1.4,f=-2!) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 TYR OH : rot -174:sc= 0.0128 USER MOD Single : A 90 LYS NZ :NH3+ -166:sc= -0.0213 (180deg=-0.249) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 63 N ALA A 6 -5.323 20.192 -6.146 1.00 0.00 N ATOM 64 CA ALA A 6 -4.161 20.007 -5.282 1.00 0.00 C ATOM 65 C ALA A 6 -4.294 18.740 -4.437 1.00 0.00 C ATOM 66 O ALA A 6 -3.335 17.983 -4.278 1.00 0.00 O ATOM 67 CB ALA A 6 -3.965 21.226 -4.394 1.00 0.00 C ATOM 0 HA ALA A 6 -3.282 19.891 -5.917 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -3.095 21.074 -3.755 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -3.809 22.108 -5.016 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -4.850 21.371 -3.774 1.00 0.00 H new ATOM 73 N ASN A 7 -5.493 18.508 -3.912 1.00 0.00 N ATOM 74 CA ASN A 7 -5.754 17.327 -3.097 1.00 0.00 C ATOM 75 C ASN A 7 -5.701 16.072 -3.957 1.00 0.00 C ATOM 76 O ASN A 7 -5.074 15.080 -3.590 1.00 0.00 O ATOM 77 CB ASN A 7 -7.119 17.441 -2.417 1.00 0.00 C ATOM 78 CG ASN A 7 -7.118 16.886 -1.004 1.00 0.00 C ATOM 79 OD1 ASN A 7 -6.729 15.740 -0.775 1.00 0.00 O ATOM 80 ND2 ASN A 7 -7.555 17.698 -0.050 1.00 0.00 N ATOM 0 H ASN A 7 -6.298 19.122 -4.036 1.00 0.00 H new ATOM 0 HA ASN A 7 -4.985 17.259 -2.328 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -7.421 18.488 -2.391 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -7.862 16.909 -3.011 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -7.578 17.380 0.919 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -7.868 18.640 -0.286 1.00 0.00 H new ATOM 87 N LYS A 8 -6.361 16.129 -5.109 1.00 0.00 N ATOM 88 CA LYS A 8 -6.384 15.002 -6.030 1.00 0.00 C ATOM 89 C LYS A 8 -4.977 14.689 -6.524 1.00 0.00 C ATOM 90 O LYS A 8 -4.651 13.538 -6.813 1.00 0.00 O ATOM 91 CB LYS A 8 -7.304 15.302 -7.216 1.00 0.00 C ATOM 92 CG LYS A 8 -8.696 14.709 -7.070 1.00 0.00 C ATOM 93 CD LYS A 8 -9.030 13.773 -8.221 1.00 0.00 C ATOM 94 CE LYS A 8 -10.527 13.717 -8.478 1.00 0.00 C ATOM 95 NZ LYS A 8 -11.253 13.033 -7.373 1.00 0.00 N ATOM 0 H LYS A 8 -6.886 16.944 -5.426 1.00 0.00 H new ATOM 0 HA LYS A 8 -6.769 14.131 -5.499 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -7.389 16.382 -7.336 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -6.847 14.915 -8.127 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -8.764 14.166 -6.127 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -9.432 15.512 -7.028 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -8.517 14.107 -9.123 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -8.661 12.772 -7.996 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -10.914 14.729 -8.595 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -10.715 13.194 -9.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -12.271 13.015 -7.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -10.902 12.059 -7.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -11.094 13.547 -6.483 1.00 0.00 H new ATOM 109 N ASP A 9 -4.142 15.722 -6.612 1.00 0.00 N ATOM 110 CA ASP A 9 -2.769 15.551 -7.066 1.00 0.00 C ATOM 111 C ASP A 9 -1.937 14.849 -6.002 1.00 0.00 C ATOM 112 O ASP A 9 -1.139 13.964 -6.309 1.00 0.00 O ATOM 113 CB ASP A 9 -2.144 16.903 -7.408 1.00 0.00 C ATOM 114 CG ASP A 9 -0.964 16.770 -8.352 1.00 0.00 C ATOM 115 OD1 ASP A 9 -1.193 16.593 -9.567 1.00 0.00 O ATOM 116 OD2 ASP A 9 0.188 16.841 -7.875 1.00 0.00 O ATOM 0 H ASP A 9 -4.393 16.682 -6.375 1.00 0.00 H new ATOM 0 HA ASP A 9 -2.783 14.934 -7.964 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -2.899 17.545 -7.862 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -1.819 17.393 -6.490 1.00 0.00 H new ATOM 121 N LEU A 10 -2.134 15.240 -4.747 1.00 0.00 N ATOM 122 CA LEU A 10 -1.405 14.633 -3.642 1.00 0.00 C ATOM 123 C LEU A 10 -1.716 13.142 -3.572 1.00 0.00 C ATOM 124 O LEU A 10 -0.811 12.305 -3.483 1.00 0.00 O ATOM 125 CB LEU A 10 -1.777 15.320 -2.324 1.00 0.00 C ATOM 126 CG LEU A 10 -1.153 14.716 -1.064 1.00 0.00 C ATOM 127 CD1 LEU A 10 -1.946 13.502 -0.608 1.00 0.00 C ATOM 128 CD2 LEU A 10 0.307 14.350 -1.301 1.00 0.00 C ATOM 0 H LEU A 10 -2.790 15.971 -4.472 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.335 14.760 -3.808 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -1.484 16.368 -2.386 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -2.862 15.298 -2.217 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.186 15.466 -0.274 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -1.489 13.085 0.289 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -2.971 13.799 -0.388 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -1.947 12.751 -1.398 1.00 0.00 H new ATOM 0 HD21 LEU A 10 0.727 13.923 -0.391 1.00 0.00 H new ATOM 0 HD22 LEU A 10 0.373 13.620 -2.108 1.00 0.00 H new ATOM 0 HD23 LEU A 10 0.867 15.245 -1.574 1.00 0.00 H new ATOM 140 N ILE A 11 -3.001 12.811 -3.647 1.00 0.00 N ATOM 141 CA ILE A 11 -3.425 11.421 -3.621 1.00 0.00 C ATOM 142 C ILE A 11 -2.842 10.685 -4.820 1.00 0.00 C ATOM 143 O ILE A 11 -2.182 9.657 -4.669 1.00 0.00 O ATOM 144 CB ILE A 11 -4.961 11.291 -3.641 1.00 0.00 C ATOM 145 CG1 ILE A 11 -5.578 12.098 -2.497 1.00 0.00 C ATOM 146 CG2 ILE A 11 -5.371 9.829 -3.546 1.00 0.00 C ATOM 147 CD1 ILE A 11 -5.177 11.604 -1.123 1.00 0.00 C ATOM 0 H ILE A 11 -3.762 13.485 -3.726 1.00 0.00 H new ATOM 0 HA ILE A 11 -3.060 10.980 -2.693 1.00 0.00 H new ATOM 0 HB ILE A 11 -5.332 11.691 -4.585 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -5.283 13.142 -2.599 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -6.664 12.064 -2.584 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -6.458 9.754 -3.561 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -4.958 9.279 -4.392 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -4.991 9.404 -2.617 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -5.651 12.223 -0.361 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -5.497 10.569 -1.001 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -4.094 11.664 -1.017 1.00 0.00 H new ATOM 159 N SER A 12 -3.079 11.229 -6.013 1.00 0.00 N ATOM 160 CA SER A 12 -2.567 10.636 -7.241 1.00 0.00 C ATOM 161 C SER A 12 -1.057 10.463 -7.164 1.00 0.00 C ATOM 162 O SER A 12 -0.504 9.528 -7.732 1.00 0.00 O ATOM 163 CB SER A 12 -2.935 11.502 -8.447 1.00 0.00 C ATOM 164 OG SER A 12 -2.749 10.791 -9.658 1.00 0.00 O ATOM 0 H SER A 12 -3.623 12.080 -6.152 1.00 0.00 H new ATOM 0 HA SER A 12 -3.024 9.654 -7.361 1.00 0.00 H new ATOM 0 HB2 SER A 12 -3.973 11.823 -8.365 1.00 0.00 H new ATOM 0 HB3 SER A 12 -2.322 12.403 -8.453 1.00 0.00 H new ATOM 0 HG SER A 12 -2.992 11.364 -10.415 1.00 0.00 H new ATOM 170 N ALA A 13 -0.393 11.379 -6.468 1.00 0.00 N ATOM 171 CA ALA A 13 1.055 11.316 -6.327 1.00 0.00 C ATOM 172 C ALA A 13 1.462 10.133 -5.459 1.00 0.00 C ATOM 173 O ALA A 13 2.434 9.442 -5.754 1.00 0.00 O ATOM 174 CB ALA A 13 1.600 12.618 -5.760 1.00 0.00 C ATOM 0 H ALA A 13 -0.832 12.169 -5.996 1.00 0.00 H new ATOM 0 HA ALA A 13 1.487 11.173 -7.318 1.00 0.00 H new ATOM 0 HB1 ALA A 13 2.683 12.548 -5.664 1.00 0.00 H new ATOM 0 HB2 ALA A 13 1.348 13.440 -6.430 1.00 0.00 H new ATOM 0 HB3 ALA A 13 1.160 12.801 -4.780 1.00 0.00 H new ATOM 180 N GLY A 14 0.672 9.860 -4.428 1.00 0.00 N ATOM 181 CA GLY A 14 0.951 8.704 -3.594 1.00 0.00 C ATOM 182 C GLY A 14 0.663 7.446 -4.384 1.00 0.00 C ATOM 183 O GLY A 14 1.473 6.522 -4.453 1.00 0.00 O ATOM 0 H GLY A 14 -0.144 10.408 -4.156 1.00 0.00 H new ATOM 0 HA2 GLY A 14 1.992 8.715 -3.271 1.00 0.00 H new ATOM 0 HA3 GLY A 14 0.337 8.732 -2.694 1.00 0.00 H new ATOM 187 N LEU A 15 -0.521 7.446 -4.978 1.00 0.00 N ATOM 188 CA LEU A 15 -0.983 6.327 -5.784 1.00 0.00 C ATOM 189 C LEU A 15 0.046 6.004 -6.866 1.00 0.00 C ATOM 190 O LEU A 15 0.499 4.866 -6.980 1.00 0.00 O ATOM 191 CB LEU A 15 -2.338 6.649 -6.416 1.00 0.00 C ATOM 192 CG LEU A 15 -3.550 6.100 -5.663 1.00 0.00 C ATOM 193 CD1 LEU A 15 -3.908 7.006 -4.493 1.00 0.00 C ATOM 194 CD2 LEU A 15 -4.735 5.949 -6.605 1.00 0.00 C ATOM 0 H LEU A 15 -1.185 8.218 -4.915 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.102 5.455 -5.141 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.437 7.732 -6.494 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.351 6.254 -7.432 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.295 5.116 -5.268 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -4.773 6.599 -3.969 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.063 7.065 -3.807 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -4.145 8.003 -4.864 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -5.590 5.557 -6.054 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -4.990 6.921 -7.028 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -4.475 5.261 -7.409 1.00 0.00 H new ATOM 206 N LYS A 16 0.411 7.007 -7.653 1.00 0.00 N ATOM 207 CA LYS A 16 1.390 6.825 -8.720 1.00 0.00 C ATOM 208 C LYS A 16 2.745 6.414 -8.148 1.00 0.00 C ATOM 209 O LYS A 16 3.519 5.710 -8.797 1.00 0.00 O ATOM 210 CB LYS A 16 1.523 8.112 -9.542 1.00 0.00 C ATOM 211 CG LYS A 16 2.420 9.165 -8.909 1.00 0.00 C ATOM 212 CD LYS A 16 3.869 8.998 -9.339 1.00 0.00 C ATOM 213 CE LYS A 16 4.272 10.044 -10.368 1.00 0.00 C ATOM 214 NZ LYS A 16 4.991 9.438 -11.523 1.00 0.00 N ATOM 0 H LYS A 16 0.045 7.956 -7.574 1.00 0.00 H new ATOM 0 HA LYS A 16 1.041 6.026 -9.374 1.00 0.00 H new ATOM 0 HB2 LYS A 16 1.915 7.862 -10.528 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.531 8.538 -9.692 1.00 0.00 H new ATOM 0 HG2 LYS A 16 2.069 10.158 -9.189 1.00 0.00 H new ATOM 0 HG3 LYS A 16 2.352 9.097 -7.823 1.00 0.00 H new ATOM 0 HD2 LYS A 16 4.519 9.075 -8.467 1.00 0.00 H new ATOM 0 HD3 LYS A 16 4.013 8.002 -9.757 1.00 0.00 H new ATOM 0 HE2 LYS A 16 3.383 10.563 -10.726 1.00 0.00 H new ATOM 0 HE3 LYS A 16 4.909 10.792 -9.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 5.248 10.183 -12.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 5.853 8.964 -11.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 4.374 8.743 -11.990 1.00 0.00 H new ATOM 228 N GLU A 17 3.020 6.855 -6.923 1.00 0.00 N ATOM 229 CA GLU A 17 4.278 6.525 -6.260 1.00 0.00 C ATOM 230 C GLU A 17 4.317 5.051 -5.872 1.00 0.00 C ATOM 231 O GLU A 17 5.328 4.372 -6.066 1.00 0.00 O ATOM 232 CB GLU A 17 4.482 7.392 -5.016 1.00 0.00 C ATOM 233 CG GLU A 17 5.943 7.663 -4.697 1.00 0.00 C ATOM 234 CD GLU A 17 6.449 8.943 -5.332 1.00 0.00 C ATOM 235 OE1 GLU A 17 6.944 8.882 -6.478 1.00 0.00 O ATOM 236 OE2 GLU A 17 6.348 10.007 -4.687 1.00 0.00 O ATOM 0 H GLU A 17 2.391 7.439 -6.372 1.00 0.00 H new ATOM 0 HA GLU A 17 5.085 6.725 -6.965 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.967 8.342 -5.157 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.017 6.901 -4.161 1.00 0.00 H new ATOM 0 HG2 GLU A 17 6.070 7.723 -3.616 1.00 0.00 H new ATOM 0 HG3 GLU A 17 6.548 6.825 -5.044 1.00 0.00 H new ATOM 243 N PHE A 18 3.202 4.552 -5.352 1.00 0.00 N ATOM 244 CA PHE A 18 3.112 3.149 -4.971 1.00 0.00 C ATOM 245 C PHE A 18 3.009 2.270 -6.210 1.00 0.00 C ATOM 246 O PHE A 18 3.644 1.221 -6.297 1.00 0.00 O ATOM 247 CB PHE A 18 1.922 2.899 -4.040 1.00 0.00 C ATOM 248 CG PHE A 18 2.032 1.628 -3.228 1.00 0.00 C ATOM 249 CD1 PHE A 18 3.206 0.880 -3.208 1.00 0.00 C ATOM 250 CD2 PHE A 18 0.953 1.183 -2.480 1.00 0.00 C ATOM 251 CE1 PHE A 18 3.296 -0.281 -2.459 1.00 0.00 C ATOM 252 CE2 PHE A 18 1.039 0.024 -1.730 1.00 0.00 C ATOM 253 CZ PHE A 18 2.210 -0.708 -1.720 1.00 0.00 C ATOM 0 H PHE A 18 2.354 5.094 -5.186 1.00 0.00 H new ATOM 0 HA PHE A 18 4.021 2.890 -4.428 1.00 0.00 H new ATOM 0 HB2 PHE A 18 1.822 3.745 -3.360 1.00 0.00 H new ATOM 0 HB3 PHE A 18 1.010 2.860 -4.636 1.00 0.00 H new ATOM 0 HD1 PHE A 18 4.058 1.210 -3.784 1.00 0.00 H new ATOM 0 HD2 PHE A 18 0.033 1.749 -2.483 1.00 0.00 H new ATOM 0 HE1 PHE A 18 4.213 -0.851 -2.453 1.00 0.00 H new ATOM 0 HE2 PHE A 18 0.190 -0.309 -1.152 1.00 0.00 H new ATOM 0 HZ PHE A 18 2.277 -1.613 -1.135 1.00 0.00 H new ATOM 263 N SER A 19 2.200 2.713 -7.171 1.00 0.00 N ATOM 264 CA SER A 19 2.005 1.976 -8.414 1.00 0.00 C ATOM 265 C SER A 19 3.341 1.719 -9.100 1.00 0.00 C ATOM 266 O SER A 19 3.662 0.584 -9.450 1.00 0.00 O ATOM 267 CB SER A 19 1.079 2.754 -9.350 1.00 0.00 C ATOM 268 OG SER A 19 1.785 3.779 -10.027 1.00 0.00 O ATOM 0 H SER A 19 1.669 3.581 -7.110 1.00 0.00 H new ATOM 0 HA SER A 19 1.545 1.017 -8.176 1.00 0.00 H new ATOM 0 HB2 SER A 19 0.635 2.073 -10.076 1.00 0.00 H new ATOM 0 HB3 SER A 19 0.260 3.189 -8.778 1.00 0.00 H new ATOM 0 HG SER A 19 1.172 4.261 -10.621 1.00 0.00 H new ATOM 274 N VAL A 20 4.122 2.779 -9.279 1.00 0.00 N ATOM 275 CA VAL A 20 5.429 2.660 -9.909 1.00 0.00 C ATOM 276 C VAL A 20 6.347 1.796 -9.055 1.00 0.00 C ATOM 277 O VAL A 20 7.053 0.926 -9.565 1.00 0.00 O ATOM 278 CB VAL A 20 6.082 4.039 -10.126 1.00 0.00 C ATOM 279 CG1 VAL A 20 7.406 3.894 -10.861 1.00 0.00 C ATOM 280 CG2 VAL A 20 5.138 4.960 -10.886 1.00 0.00 C ATOM 0 H VAL A 20 3.872 3.727 -8.997 1.00 0.00 H new ATOM 0 HA VAL A 20 5.282 2.193 -10.883 1.00 0.00 H new ATOM 0 HB VAL A 20 6.283 4.485 -9.152 1.00 0.00 H new ATOM 0 HG11 VAL A 20 7.852 4.878 -11.005 1.00 0.00 H new ATOM 0 HG12 VAL A 20 8.082 3.272 -10.274 1.00 0.00 H new ATOM 0 HG13 VAL A 20 7.234 3.428 -11.831 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.614 5.930 -11.031 1.00 0.00 H new ATOM 0 HG22 VAL A 20 4.905 4.522 -11.856 1.00 0.00 H new ATOM 0 HG23 VAL A 20 4.218 5.089 -10.316 1.00 0.00 H new ATOM 290 N LEU A 21 6.320 2.035 -7.746 1.00 0.00 N ATOM 291 CA LEU A 21 7.137 1.270 -6.813 1.00 0.00 C ATOM 292 C LEU A 21 6.813 -0.219 -6.918 1.00 0.00 C ATOM 293 O LEU A 21 7.702 -1.068 -6.855 1.00 0.00 O ATOM 294 CB LEU A 21 6.896 1.766 -5.385 1.00 0.00 C ATOM 295 CG LEU A 21 7.585 0.957 -4.285 1.00 0.00 C ATOM 296 CD1 LEU A 21 9.056 1.330 -4.189 1.00 0.00 C ATOM 297 CD2 LEU A 21 6.884 1.177 -2.951 1.00 0.00 C ATOM 0 H LEU A 21 5.741 2.752 -7.310 1.00 0.00 H new ATOM 0 HA LEU A 21 8.188 1.412 -7.066 1.00 0.00 H new ATOM 0 HB2 LEU A 21 7.232 2.801 -5.316 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.823 1.766 -5.195 1.00 0.00 H new ATOM 0 HG LEU A 21 7.520 -0.101 -4.538 1.00 0.00 H new ATOM 0 HD11 LEU A 21 9.529 0.744 -3.401 1.00 0.00 H new ATOM 0 HD12 LEU A 21 9.547 1.123 -5.140 1.00 0.00 H new ATOM 0 HD13 LEU A 21 9.148 2.391 -3.957 1.00 0.00 H new ATOM 0 HD21 LEU A 21 7.384 0.595 -2.177 1.00 0.00 H new ATOM 0 HD22 LEU A 21 6.921 2.235 -2.691 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.845 0.858 -3.029 1.00 0.00 H new ATOM 309 N LEU A 22 5.528 -0.522 -7.079 1.00 0.00 N ATOM 310 CA LEU A 22 5.066 -1.901 -7.196 1.00 0.00 C ATOM 311 C LEU A 22 5.406 -2.484 -8.564 1.00 0.00 C ATOM 312 O LEU A 22 5.867 -3.620 -8.671 1.00 0.00 O ATOM 313 CB LEU A 22 3.552 -1.968 -6.974 1.00 0.00 C ATOM 314 CG LEU A 22 3.082 -1.602 -5.566 1.00 0.00 C ATOM 315 CD1 LEU A 22 1.602 -1.246 -5.575 1.00 0.00 C ATOM 316 CD2 LEU A 22 3.353 -2.748 -4.604 1.00 0.00 C ATOM 0 H LEU A 22 4.784 0.174 -7.132 1.00 0.00 H new ATOM 0 HA LEU A 22 5.576 -2.490 -6.434 1.00 0.00 H new ATOM 0 HB2 LEU A 22 3.067 -1.301 -7.686 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.212 -2.978 -7.202 1.00 0.00 H new ATOM 0 HG LEU A 22 3.641 -0.730 -5.228 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.284 -0.988 -4.565 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.436 -0.395 -6.236 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.025 -2.099 -5.930 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.013 -2.473 -3.606 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.818 -3.637 -4.937 1.00 0.00 H new ATOM 0 HD23 LEU A 22 4.423 -2.957 -4.579 1.00 0.00 H new ATOM 328 N ASN A 23 5.161 -1.699 -9.608 1.00 0.00 N ATOM 329 CA ASN A 23 5.424 -2.130 -10.977 1.00 0.00 C ATOM 330 C ASN A 23 6.886 -2.526 -11.181 1.00 0.00 C ATOM 331 O ASN A 23 7.218 -3.218 -12.143 1.00 0.00 O ATOM 332 CB ASN A 23 5.041 -1.020 -11.958 1.00 0.00 C ATOM 333 CG ASN A 23 4.249 -1.539 -13.143 1.00 0.00 C ATOM 334 OD1 ASN A 23 4.805 -1.806 -14.208 1.00 0.00 O ATOM 335 ND2 ASN A 23 2.941 -1.685 -12.962 1.00 0.00 N ATOM 0 H ASN A 23 4.779 -0.756 -9.532 1.00 0.00 H new ATOM 0 HA ASN A 23 4.814 -3.013 -11.167 1.00 0.00 H new ATOM 0 HB2 ASN A 23 4.454 -0.265 -11.436 1.00 0.00 H new ATOM 0 HB3 ASN A 23 5.945 -0.529 -12.317 1.00 0.00 H new ATOM 0 HD21 ASN A 23 2.356 -2.031 -13.723 1.00 0.00 H new ATOM 0 HD22 ASN A 23 2.521 -1.451 -12.062 1.00 0.00 H new ATOM 342 N GLN A 24 7.762 -2.084 -10.280 1.00 0.00 N ATOM 343 CA GLN A 24 9.183 -2.401 -10.387 1.00 0.00 C ATOM 344 C GLN A 24 9.530 -3.694 -9.648 1.00 0.00 C ATOM 345 O GLN A 24 10.702 -3.974 -9.397 1.00 0.00 O ATOM 346 CB GLN A 24 10.025 -1.246 -9.840 1.00 0.00 C ATOM 347 CG GLN A 24 10.484 -0.272 -10.913 1.00 0.00 C ATOM 348 CD GLN A 24 9.331 0.266 -11.737 1.00 0.00 C ATOM 349 OE1 GLN A 24 8.506 -0.495 -12.243 1.00 0.00 O ATOM 350 NE2 GLN A 24 9.267 1.585 -11.876 1.00 0.00 N ATOM 0 H GLN A 24 7.514 -1.510 -9.474 1.00 0.00 H new ATOM 0 HA GLN A 24 9.410 -2.547 -11.443 1.00 0.00 H new ATOM 0 HB2 GLN A 24 9.444 -0.705 -9.093 1.00 0.00 H new ATOM 0 HB3 GLN A 24 10.899 -1.653 -9.331 1.00 0.00 H new ATOM 0 HG2 GLN A 24 11.011 0.559 -10.444 1.00 0.00 H new ATOM 0 HG3 GLN A 24 11.196 -0.770 -11.571 1.00 0.00 H new ATOM 0 HE21 GLN A 24 9.972 2.179 -11.439 1.00 0.00 H new ATOM 0 HE22 GLN A 24 8.513 2.005 -12.419 1.00 0.00 H new ATOM 359 N GLN A 25 8.511 -4.476 -9.299 1.00 0.00 N ATOM 360 CA GLN A 25 8.726 -5.731 -8.587 1.00 0.00 C ATOM 361 C GLN A 25 8.426 -6.933 -9.476 1.00 0.00 C ATOM 362 O GLN A 25 7.369 -7.009 -10.105 1.00 0.00 O ATOM 363 CB GLN A 25 7.854 -5.784 -7.333 1.00 0.00 C ATOM 364 CG GLN A 25 8.078 -4.618 -6.389 1.00 0.00 C ATOM 365 CD GLN A 25 9.092 -4.933 -5.308 1.00 0.00 C ATOM 366 OE1 GLN A 25 10.170 -5.459 -5.586 1.00 0.00 O ATOM 367 NE2 GLN A 25 8.751 -4.612 -4.067 1.00 0.00 N ATOM 0 H GLN A 25 7.533 -4.263 -9.497 1.00 0.00 H new ATOM 0 HA GLN A 25 9.776 -5.774 -8.299 1.00 0.00 H new ATOM 0 HB2 GLN A 25 6.805 -5.804 -7.630 1.00 0.00 H new ATOM 0 HB3 GLN A 25 8.053 -6.715 -6.801 1.00 0.00 H new ATOM 0 HG2 GLN A 25 8.417 -3.753 -6.959 1.00 0.00 H new ATOM 0 HG3 GLN A 25 7.131 -4.343 -5.925 1.00 0.00 H new ATOM 0 HE21 GLN A 25 7.847 -4.177 -3.883 1.00 0.00 H new ATOM 0 HE22 GLN A 25 9.393 -4.800 -3.297 1.00 0.00 H new ATOM 376 N VAL A 26 9.361 -7.876 -9.512 1.00 0.00 N ATOM 377 CA VAL A 26 9.208 -9.086 -10.311 1.00 0.00 C ATOM 378 C VAL A 26 9.645 -10.310 -9.513 1.00 0.00 C ATOM 379 O VAL A 26 10.805 -10.417 -9.113 1.00 0.00 O ATOM 380 CB VAL A 26 10.029 -9.004 -11.613 1.00 0.00 C ATOM 381 CG1 VAL A 26 11.508 -8.832 -11.306 1.00 0.00 C ATOM 382 CG2 VAL A 26 9.796 -10.236 -12.474 1.00 0.00 C ATOM 0 H VAL A 26 10.238 -7.825 -8.994 1.00 0.00 H new ATOM 0 HA VAL A 26 8.153 -9.178 -10.570 1.00 0.00 H new ATOM 0 HB VAL A 26 9.695 -8.130 -12.173 1.00 0.00 H new ATOM 0 HG11 VAL A 26 12.069 -8.776 -12.239 1.00 0.00 H new ATOM 0 HG12 VAL A 26 11.657 -7.914 -10.737 1.00 0.00 H new ATOM 0 HG13 VAL A 26 11.859 -9.682 -10.721 1.00 0.00 H new ATOM 0 HG21 VAL A 26 10.385 -10.158 -13.388 1.00 0.00 H new ATOM 0 HG22 VAL A 26 10.097 -11.127 -11.923 1.00 0.00 H new ATOM 0 HG23 VAL A 26 8.739 -10.307 -12.729 1.00 0.00 H new ATOM 392 N PHE A 27 8.710 -11.222 -9.262 1.00 0.00 N ATOM 393 CA PHE A 27 9.012 -12.421 -8.487 1.00 0.00 C ATOM 394 C PHE A 27 9.295 -13.630 -9.378 1.00 0.00 C ATOM 395 O PHE A 27 8.507 -13.975 -10.259 1.00 0.00 O ATOM 396 CB PHE A 27 7.868 -12.746 -7.523 1.00 0.00 C ATOM 397 CG PHE A 27 7.202 -11.533 -6.936 1.00 0.00 C ATOM 398 CD1 PHE A 27 7.958 -10.495 -6.416 1.00 0.00 C ATOM 399 CD2 PHE A 27 5.820 -11.433 -6.904 1.00 0.00 C ATOM 400 CE1 PHE A 27 7.348 -9.379 -5.873 1.00 0.00 C ATOM 401 CE2 PHE A 27 5.205 -10.321 -6.363 1.00 0.00 C ATOM 402 CZ PHE A 27 5.969 -9.292 -5.848 1.00 0.00 C ATOM 0 H PHE A 27 7.744 -11.155 -9.581 1.00 0.00 H new ATOM 0 HA PHE A 27 9.916 -12.207 -7.917 1.00 0.00 H new ATOM 0 HB2 PHE A 27 7.120 -13.340 -8.049 1.00 0.00 H new ATOM 0 HB3 PHE A 27 8.254 -13.364 -6.713 1.00 0.00 H new ATOM 0 HD1 PHE A 27 9.036 -10.558 -6.435 1.00 0.00 H new ATOM 0 HD2 PHE A 27 5.217 -12.234 -7.307 1.00 0.00 H new ATOM 0 HE1 PHE A 27 7.948 -8.577 -5.469 1.00 0.00 H new ATOM 0 HE2 PHE A 27 4.127 -10.256 -6.343 1.00 0.00 H new ATOM 0 HZ PHE A 27 5.490 -8.421 -5.426 1.00 0.00 H new ATOM 412 N ASN A 28 10.424 -14.273 -9.109 1.00 0.00 N ATOM 413 CA ASN A 28 10.859 -15.464 -9.834 1.00 0.00 C ATOM 414 C ASN A 28 11.939 -16.159 -9.015 1.00 0.00 C ATOM 415 O ASN A 28 11.738 -17.253 -8.489 1.00 0.00 O ATOM 416 CB ASN A 28 11.398 -15.096 -11.221 1.00 0.00 C ATOM 417 CG ASN A 28 10.304 -14.653 -12.174 1.00 0.00 C ATOM 418 OD1 ASN A 28 9.984 -13.468 -12.262 1.00 0.00 O ATOM 419 ND2 ASN A 28 9.723 -15.605 -12.895 1.00 0.00 N ATOM 0 H ASN A 28 11.070 -13.982 -8.376 1.00 0.00 H new ATOM 0 HA ASN A 28 10.009 -16.131 -9.978 1.00 0.00 H new ATOM 0 HB2 ASN A 28 12.133 -14.297 -11.121 1.00 0.00 H new ATOM 0 HB3 ASN A 28 11.917 -15.956 -11.645 1.00 0.00 H new ATOM 0 HD21 ASN A 28 8.981 -15.366 -13.553 1.00 0.00 H new ATOM 0 HD22 ASN A 28 10.019 -16.576 -12.791 1.00 0.00 H new ATOM 426 N ASP A 29 13.079 -15.493 -8.908 1.00 0.00 N ATOM 427 CA ASP A 29 14.199 -16.019 -8.141 1.00 0.00 C ATOM 428 C ASP A 29 13.956 -15.749 -6.658 1.00 0.00 C ATOM 429 O ASP A 29 13.390 -14.716 -6.298 1.00 0.00 O ATOM 430 CB ASP A 29 15.514 -15.375 -8.593 1.00 0.00 C ATOM 431 CG ASP A 29 16.342 -16.301 -9.461 1.00 0.00 C ATOM 432 OD1 ASP A 29 17.047 -17.167 -8.901 1.00 0.00 O ATOM 433 OD2 ASP A 29 16.288 -16.160 -10.700 1.00 0.00 O ATOM 0 H ASP A 29 13.253 -14.587 -9.343 1.00 0.00 H new ATOM 0 HA ASP A 29 14.278 -17.093 -8.309 1.00 0.00 H new ATOM 0 HB2 ASP A 29 15.297 -14.461 -9.146 1.00 0.00 H new ATOM 0 HB3 ASP A 29 16.095 -15.087 -7.717 1.00 0.00 H new ATOM 438 N PRO A 30 14.351 -16.691 -5.775 1.00 0.00 N ATOM 439 CA PRO A 30 14.154 -16.574 -4.330 1.00 0.00 C ATOM 440 C PRO A 30 14.135 -15.125 -3.834 1.00 0.00 C ATOM 441 O PRO A 30 13.061 -14.554 -3.641 1.00 0.00 O ATOM 442 CB PRO A 30 15.348 -17.360 -3.789 1.00 0.00 C ATOM 443 CG PRO A 30 15.552 -18.458 -4.786 1.00 0.00 C ATOM 444 CD PRO A 30 15.009 -17.965 -6.113 1.00 0.00 C ATOM 0 HA PRO A 30 13.187 -16.951 -3.998 1.00 0.00 H new ATOM 0 HB2 PRO A 30 16.233 -16.730 -3.705 1.00 0.00 H new ATOM 0 HB3 PRO A 30 15.144 -17.758 -2.795 1.00 0.00 H new ATOM 0 HG2 PRO A 30 16.609 -18.708 -4.872 1.00 0.00 H new ATOM 0 HG3 PRO A 30 15.035 -19.364 -4.471 1.00 0.00 H new ATOM 0 HD2 PRO A 30 15.806 -17.822 -6.842 1.00 0.00 H new ATOM 0 HD3 PRO A 30 14.305 -18.676 -6.546 1.00 0.00 H new ATOM 452 N LEU A 31 15.310 -14.538 -3.615 1.00 0.00 N ATOM 453 CA LEU A 31 15.415 -13.159 -3.132 1.00 0.00 C ATOM 454 C LEU A 31 15.049 -13.068 -1.652 1.00 0.00 C ATOM 455 O LEU A 31 14.922 -14.085 -0.972 1.00 0.00 O ATOM 456 CB LEU A 31 14.537 -12.213 -3.961 1.00 0.00 C ATOM 457 CG LEU A 31 15.198 -11.670 -5.227 1.00 0.00 C ATOM 458 CD1 LEU A 31 15.302 -12.761 -6.281 1.00 0.00 C ATOM 459 CD2 LEU A 31 14.422 -10.478 -5.765 1.00 0.00 C ATOM 0 H LEU A 31 16.208 -14.997 -3.765 1.00 0.00 H new ATOM 0 HA LEU A 31 16.453 -12.848 -3.248 1.00 0.00 H new ATOM 0 HB2 LEU A 31 13.625 -12.739 -4.242 1.00 0.00 H new ATOM 0 HB3 LEU A 31 14.240 -11.372 -3.334 1.00 0.00 H new ATOM 0 HG LEU A 31 16.205 -11.337 -4.976 1.00 0.00 H new ATOM 0 HD11 LEU A 31 15.775 -12.358 -7.176 1.00 0.00 H new ATOM 0 HD12 LEU A 31 15.901 -13.585 -5.894 1.00 0.00 H new ATOM 0 HD13 LEU A 31 14.304 -13.123 -6.529 1.00 0.00 H new ATOM 0 HD21 LEU A 31 14.908 -10.105 -6.667 1.00 0.00 H new ATOM 0 HD22 LEU A 31 13.403 -10.784 -6.002 1.00 0.00 H new ATOM 0 HD23 LEU A 31 14.398 -9.690 -5.013 1.00 0.00 H new ATOM 471 N VAL A 32 14.915 -11.842 -1.155 1.00 0.00 N ATOM 472 CA VAL A 32 14.607 -11.609 0.251 1.00 0.00 C ATOM 473 C VAL A 32 13.285 -12.263 0.667 1.00 0.00 C ATOM 474 O VAL A 32 12.443 -12.588 -0.169 1.00 0.00 O ATOM 475 CB VAL A 32 14.579 -10.096 0.555 1.00 0.00 C ATOM 476 CG1 VAL A 32 13.249 -9.472 0.156 1.00 0.00 C ATOM 477 CG2 VAL A 32 14.884 -9.841 2.021 1.00 0.00 C ATOM 0 H VAL A 32 15.016 -10.991 -1.709 1.00 0.00 H new ATOM 0 HA VAL A 32 15.399 -12.075 0.838 1.00 0.00 H new ATOM 0 HB VAL A 32 15.355 -9.619 -0.044 1.00 0.00 H new ATOM 0 HG11 VAL A 32 13.264 -8.406 0.384 1.00 0.00 H new ATOM 0 HG12 VAL A 32 13.087 -9.612 -0.913 1.00 0.00 H new ATOM 0 HG13 VAL A 32 12.442 -9.950 0.711 1.00 0.00 H new ATOM 0 HG21 VAL A 32 14.860 -8.769 2.217 1.00 0.00 H new ATOM 0 HG22 VAL A 32 14.138 -10.340 2.640 1.00 0.00 H new ATOM 0 HG23 VAL A 32 15.873 -10.231 2.260 1.00 0.00 H new ATOM 487 N SER A 33 13.138 -12.478 1.976 1.00 0.00 N ATOM 488 CA SER A 33 11.952 -13.127 2.534 1.00 0.00 C ATOM 489 C SER A 33 10.790 -12.158 2.747 1.00 0.00 C ATOM 490 O SER A 33 10.925 -10.948 2.569 1.00 0.00 O ATOM 491 CB SER A 33 12.306 -13.801 3.860 1.00 0.00 C ATOM 492 OG SER A 33 12.378 -12.854 4.912 1.00 0.00 O ATOM 0 H SER A 33 13.832 -12.209 2.673 1.00 0.00 H new ATOM 0 HA SER A 33 11.624 -13.869 1.806 1.00 0.00 H new ATOM 0 HB2 SER A 33 11.558 -14.557 4.098 1.00 0.00 H new ATOM 0 HB3 SER A 33 13.261 -14.317 3.765 1.00 0.00 H new ATOM 0 HG SER A 33 12.604 -13.311 5.749 1.00 0.00 H new ATOM 498 N GLU A 34 9.642 -12.722 3.135 1.00 0.00 N ATOM 499 CA GLU A 34 8.429 -11.944 3.386 1.00 0.00 C ATOM 500 C GLU A 34 8.689 -10.828 4.386 1.00 0.00 C ATOM 501 O GLU A 34 8.043 -9.787 4.344 1.00 0.00 O ATOM 502 CB GLU A 34 7.314 -12.854 3.913 1.00 0.00 C ATOM 503 CG GLU A 34 7.017 -14.047 3.019 1.00 0.00 C ATOM 504 CD GLU A 34 6.078 -13.703 1.881 1.00 0.00 C ATOM 505 OE1 GLU A 34 5.209 -12.826 2.071 1.00 0.00 O ATOM 506 OE2 GLU A 34 6.214 -14.310 0.799 1.00 0.00 O ATOM 0 H GLU A 34 9.529 -13.725 3.283 1.00 0.00 H new ATOM 0 HA GLU A 34 8.118 -11.498 2.441 1.00 0.00 H new ATOM 0 HB2 GLU A 34 7.591 -13.215 4.903 1.00 0.00 H new ATOM 0 HB3 GLU A 34 6.404 -12.266 4.031 1.00 0.00 H new ATOM 0 HG2 GLU A 34 7.951 -14.432 2.610 1.00 0.00 H new ATOM 0 HG3 GLU A 34 6.579 -14.845 3.618 1.00 0.00 H new ATOM 513 N GLU A 35 9.636 -11.051 5.284 1.00 0.00 N ATOM 514 CA GLU A 35 9.975 -10.055 6.292 1.00 0.00 C ATOM 515 C GLU A 35 10.333 -8.724 5.637 1.00 0.00 C ATOM 516 O GLU A 35 10.030 -7.657 6.170 1.00 0.00 O ATOM 517 CB GLU A 35 11.146 -10.550 7.142 1.00 0.00 C ATOM 518 CG GLU A 35 11.165 -9.988 8.553 1.00 0.00 C ATOM 519 CD GLU A 35 12.521 -10.131 9.215 1.00 0.00 C ATOM 520 OE1 GLU A 35 13.456 -9.406 8.813 1.00 0.00 O ATOM 521 OE2 GLU A 35 12.650 -10.970 10.131 1.00 0.00 O ATOM 0 H GLU A 35 10.183 -11.910 5.337 1.00 0.00 H new ATOM 0 HA GLU A 35 9.106 -9.902 6.932 1.00 0.00 H new ATOM 0 HB2 GLU A 35 11.109 -11.638 7.196 1.00 0.00 H new ATOM 0 HB3 GLU A 35 12.080 -10.287 6.644 1.00 0.00 H new ATOM 0 HG2 GLU A 35 10.887 -8.934 8.525 1.00 0.00 H new ATOM 0 HG3 GLU A 35 10.414 -10.500 9.155 1.00 0.00 H new ATOM 528 N ASP A 36 10.974 -8.796 4.473 1.00 0.00 N ATOM 529 CA ASP A 36 11.371 -7.594 3.747 1.00 0.00 C ATOM 530 C ASP A 36 10.168 -6.874 3.164 1.00 0.00 C ATOM 531 O ASP A 36 9.938 -5.699 3.446 1.00 0.00 O ATOM 532 CB ASP A 36 12.345 -7.947 2.629 1.00 0.00 C ATOM 533 CG ASP A 36 13.413 -6.890 2.438 1.00 0.00 C ATOM 534 OD1 ASP A 36 14.109 -6.566 3.422 1.00 0.00 O ATOM 535 OD2 ASP A 36 13.553 -6.386 1.304 1.00 0.00 O ATOM 0 H ASP A 36 11.229 -9.671 4.014 1.00 0.00 H new ATOM 0 HA ASP A 36 11.859 -6.927 4.458 1.00 0.00 H new ATOM 0 HB2 ASP A 36 12.819 -8.903 2.852 1.00 0.00 H new ATOM 0 HB3 ASP A 36 11.794 -8.075 1.697 1.00 0.00 H new ATOM 540 N MET A 37 9.402 -7.584 2.349 1.00 0.00 N ATOM 541 CA MET A 37 8.223 -6.999 1.726 1.00 0.00 C ATOM 542 C MET A 37 7.234 -6.553 2.790 1.00 0.00 C ATOM 543 O MET A 37 6.737 -5.432 2.753 1.00 0.00 O ATOM 544 CB MET A 37 7.558 -7.999 0.779 1.00 0.00 C ATOM 545 CG MET A 37 8.479 -8.511 -0.315 1.00 0.00 C ATOM 546 SD MET A 37 8.603 -7.379 -1.714 1.00 0.00 S ATOM 547 CE MET A 37 9.574 -6.056 -0.998 1.00 0.00 C ATOM 0 H MET A 37 9.573 -8.559 2.105 1.00 0.00 H new ATOM 0 HA MET A 37 8.537 -6.131 1.146 1.00 0.00 H new ATOM 0 HB2 MET A 37 7.191 -8.846 1.359 1.00 0.00 H new ATOM 0 HB3 MET A 37 6.689 -7.528 0.319 1.00 0.00 H new ATOM 0 HG2 MET A 37 9.473 -8.676 0.101 1.00 0.00 H new ATOM 0 HG3 MET A 37 8.116 -9.477 -0.666 1.00 0.00 H new ATOM 0 HE1 MET A 37 10.321 -5.723 -1.718 1.00 0.00 H new ATOM 0 HE2 MET A 37 8.920 -5.223 -0.741 1.00 0.00 H new ATOM 0 HE3 MET A 37 10.072 -6.416 -0.098 1.00 0.00 H new ATOM 557 N VAL A 38 6.927 -7.447 3.716 1.00 0.00 N ATOM 558 CA VAL A 38 5.966 -7.147 4.763 1.00 0.00 C ATOM 559 C VAL A 38 6.359 -5.876 5.517 1.00 0.00 C ATOM 560 O VAL A 38 5.523 -4.993 5.709 1.00 0.00 O ATOM 561 CB VAL A 38 5.850 -8.332 5.757 1.00 0.00 C ATOM 562 CG1 VAL A 38 5.349 -7.878 7.122 1.00 0.00 C ATOM 563 CG2 VAL A 38 4.947 -9.416 5.189 1.00 0.00 C ATOM 0 H VAL A 38 7.328 -8.384 3.763 1.00 0.00 H new ATOM 0 HA VAL A 38 4.998 -6.987 4.289 1.00 0.00 H new ATOM 0 HB VAL A 38 6.850 -8.744 5.896 1.00 0.00 H new ATOM 0 HG11 VAL A 38 5.282 -8.737 7.789 1.00 0.00 H new ATOM 0 HG12 VAL A 38 6.042 -7.148 7.540 1.00 0.00 H new ATOM 0 HG13 VAL A 38 4.364 -7.423 7.015 1.00 0.00 H new ATOM 0 HG21 VAL A 38 4.877 -10.240 5.899 1.00 0.00 H new ATOM 0 HG22 VAL A 38 3.953 -9.005 5.010 1.00 0.00 H new ATOM 0 HG23 VAL A 38 5.363 -9.781 4.250 1.00 0.00 H new ATOM 573 N THR A 39 7.611 -5.772 5.960 1.00 0.00 N ATOM 574 CA THR A 39 8.047 -4.591 6.704 1.00 0.00 C ATOM 575 C THR A 39 8.169 -3.355 5.812 1.00 0.00 C ATOM 576 O THR A 39 7.886 -2.241 6.249 1.00 0.00 O ATOM 577 CB THR A 39 9.384 -4.876 7.400 1.00 0.00 C ATOM 578 OG1 THR A 39 9.354 -4.430 8.744 1.00 0.00 O ATOM 579 CG2 THR A 39 10.586 -4.231 6.733 1.00 0.00 C ATOM 0 H THR A 39 8.332 -6.480 5.820 1.00 0.00 H new ATOM 0 HA THR A 39 7.283 -4.375 7.451 1.00 0.00 H new ATOM 0 HB THR A 39 9.502 -5.958 7.335 1.00 0.00 H new ATOM 0 HG1 THR A 39 10.215 -4.622 9.172 1.00 0.00 H new ATOM 0 HG21 THR A 39 11.489 -4.483 7.289 1.00 0.00 H new ATOM 0 HG22 THR A 39 10.675 -4.598 5.710 1.00 0.00 H new ATOM 0 HG23 THR A 39 10.458 -3.149 6.721 1.00 0.00 H new ATOM 587 N VAL A 40 8.587 -3.550 4.568 1.00 0.00 N ATOM 588 CA VAL A 40 8.735 -2.432 3.643 1.00 0.00 C ATOM 589 C VAL A 40 7.367 -1.899 3.228 1.00 0.00 C ATOM 590 O VAL A 40 7.180 -0.694 3.050 1.00 0.00 O ATOM 591 CB VAL A 40 9.540 -2.830 2.387 1.00 0.00 C ATOM 592 CG1 VAL A 40 9.621 -1.670 1.403 1.00 0.00 C ATOM 593 CG2 VAL A 40 10.935 -3.294 2.774 1.00 0.00 C ATOM 0 H VAL A 40 8.828 -4.461 4.178 1.00 0.00 H new ATOM 0 HA VAL A 40 9.287 -1.651 4.165 1.00 0.00 H new ATOM 0 HB VAL A 40 9.021 -3.655 1.899 1.00 0.00 H new ATOM 0 HG11 VAL A 40 10.193 -1.975 0.527 1.00 0.00 H new ATOM 0 HG12 VAL A 40 8.615 -1.381 1.097 1.00 0.00 H new ATOM 0 HG13 VAL A 40 10.113 -0.822 1.880 1.00 0.00 H new ATOM 0 HG21 VAL A 40 11.488 -3.571 1.877 1.00 0.00 H new ATOM 0 HG22 VAL A 40 11.457 -2.487 3.288 1.00 0.00 H new ATOM 0 HG23 VAL A 40 10.861 -4.157 3.435 1.00 0.00 H new ATOM 603 N VAL A 41 6.410 -2.810 3.096 1.00 0.00 N ATOM 604 CA VAL A 41 5.051 -2.449 2.721 1.00 0.00 C ATOM 605 C VAL A 41 4.355 -1.761 3.887 1.00 0.00 C ATOM 606 O VAL A 41 3.764 -0.693 3.729 1.00 0.00 O ATOM 607 CB VAL A 41 4.243 -3.693 2.294 1.00 0.00 C ATOM 608 CG1 VAL A 41 2.792 -3.332 2.009 1.00 0.00 C ATOM 609 CG2 VAL A 41 4.884 -4.348 1.079 1.00 0.00 C ATOM 0 H VAL A 41 6.553 -3.809 3.244 1.00 0.00 H new ATOM 0 HA VAL A 41 5.104 -1.766 1.873 1.00 0.00 H new ATOM 0 HB VAL A 41 4.253 -4.406 3.119 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.246 -4.227 1.710 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.338 -2.913 2.907 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.751 -2.597 1.205 1.00 0.00 H new ATOM 0 HG21 VAL A 41 4.304 -5.224 0.789 1.00 0.00 H new ATOM 0 HG22 VAL A 41 4.907 -3.638 0.252 1.00 0.00 H new ATOM 0 HG23 VAL A 41 5.902 -4.652 1.324 1.00 0.00 H new ATOM 619 N GLU A 42 4.441 -2.377 5.063 1.00 0.00 N ATOM 620 CA GLU A 42 3.831 -1.820 6.261 1.00 0.00 C ATOM 621 C GLU A 42 4.364 -0.417 6.517 1.00 0.00 C ATOM 622 O GLU A 42 3.599 0.532 6.681 1.00 0.00 O ATOM 623 CB GLU A 42 4.118 -2.719 7.463 1.00 0.00 C ATOM 624 CG GLU A 42 3.002 -3.706 7.773 1.00 0.00 C ATOM 625 CD GLU A 42 2.364 -4.292 6.527 1.00 0.00 C ATOM 626 OE1 GLU A 42 3.096 -4.543 5.546 1.00 0.00 O ATOM 627 OE2 GLU A 42 1.133 -4.500 6.532 1.00 0.00 O ATOM 0 H GLU A 42 4.928 -3.262 5.209 1.00 0.00 H new ATOM 0 HA GLU A 42 2.753 -1.764 6.113 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.039 -3.272 7.279 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.291 -2.094 8.339 1.00 0.00 H new ATOM 0 HG2 GLU A 42 3.400 -4.515 8.385 1.00 0.00 H new ATOM 0 HG3 GLU A 42 2.236 -3.205 8.365 1.00 0.00 H new ATOM 634 N ASP A 43 5.685 -0.295 6.549 1.00 0.00 N ATOM 635 CA ASP A 43 6.327 0.989 6.783 1.00 0.00 C ATOM 636 C ASP A 43 5.891 2.017 5.743 1.00 0.00 C ATOM 637 O ASP A 43 5.621 3.171 6.078 1.00 0.00 O ATOM 638 CB ASP A 43 7.848 0.834 6.754 1.00 0.00 C ATOM 639 CG ASP A 43 8.555 1.963 7.476 1.00 0.00 C ATOM 640 OD1 ASP A 43 8.610 1.928 8.724 1.00 0.00 O ATOM 641 OD2 ASP A 43 9.054 2.884 6.795 1.00 0.00 O ATOM 0 H ASP A 43 6.332 -1.072 6.415 1.00 0.00 H new ATOM 0 HA ASP A 43 6.021 1.344 7.767 1.00 0.00 H new ATOM 0 HB2 ASP A 43 8.123 -0.116 7.212 1.00 0.00 H new ATOM 0 HB3 ASP A 43 8.188 0.799 5.719 1.00 0.00 H new ATOM 646 N TRP A 44 5.841 1.604 4.477 1.00 0.00 N ATOM 647 CA TRP A 44 5.457 2.528 3.416 1.00 0.00 C ATOM 648 C TRP A 44 4.049 3.064 3.654 1.00 0.00 C ATOM 649 O TRP A 44 3.817 4.276 3.607 1.00 0.00 O ATOM 650 CB TRP A 44 5.514 1.825 2.057 1.00 0.00 C ATOM 651 CG TRP A 44 6.884 1.791 1.455 1.00 0.00 C ATOM 652 CD1 TRP A 44 7.913 2.653 1.703 1.00 0.00 C ATOM 653 CD2 TRP A 44 7.373 0.844 0.500 1.00 0.00 C ATOM 654 NE1 TRP A 44 9.013 2.300 0.959 1.00 0.00 N ATOM 655 CE2 TRP A 44 8.707 1.192 0.212 1.00 0.00 C ATOM 656 CE3 TRP A 44 6.813 -0.265 -0.141 1.00 0.00 C ATOM 657 CZ2 TRP A 44 9.487 0.470 -0.688 1.00 0.00 C ATOM 658 CZ3 TRP A 44 7.589 -0.981 -1.034 1.00 0.00 C ATOM 659 CH2 TRP A 44 8.913 -0.612 -1.299 1.00 0.00 C ATOM 0 H TRP A 44 6.057 0.656 4.167 1.00 0.00 H new ATOM 0 HA TRP A 44 6.158 3.363 3.421 1.00 0.00 H new ATOM 0 HB2 TRP A 44 5.151 0.803 2.171 1.00 0.00 H new ATOM 0 HB3 TRP A 44 4.836 2.329 1.368 1.00 0.00 H new ATOM 0 HD1 TRP A 44 7.869 3.490 2.384 1.00 0.00 H new ATOM 0 HE1 TRP A 44 9.911 2.784 0.962 1.00 0.00 H new ATOM 0 HE3 TRP A 44 5.792 -0.557 0.058 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 10.508 0.754 -0.896 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 7.166 -1.839 -1.535 1.00 0.00 H new ATOM 0 HH2 TRP A 44 9.494 -1.193 -2.000 1.00 0.00 H new ATOM 670 N MET A 45 3.108 2.162 3.907 1.00 0.00 N ATOM 671 CA MET A 45 1.729 2.557 4.143 1.00 0.00 C ATOM 672 C MET A 45 1.606 3.412 5.398 1.00 0.00 C ATOM 673 O MET A 45 0.767 4.309 5.463 1.00 0.00 O ATOM 674 CB MET A 45 0.832 1.322 4.259 1.00 0.00 C ATOM 675 CG MET A 45 1.214 0.392 5.398 1.00 0.00 C ATOM 676 SD MET A 45 -0.052 -0.846 5.738 1.00 0.00 S ATOM 677 CE MET A 45 0.440 -2.151 4.614 1.00 0.00 C ATOM 0 H MET A 45 3.276 1.157 3.953 1.00 0.00 H new ATOM 0 HA MET A 45 1.403 3.155 3.291 1.00 0.00 H new ATOM 0 HB2 MET A 45 -0.200 1.645 4.397 1.00 0.00 H new ATOM 0 HB3 MET A 45 0.870 0.768 3.321 1.00 0.00 H new ATOM 0 HG2 MET A 45 2.151 -0.109 5.154 1.00 0.00 H new ATOM 0 HG3 MET A 45 1.392 0.980 6.298 1.00 0.00 H new ATOM 0 HE1 MET A 45 -0.108 -3.062 4.852 1.00 0.00 H new ATOM 0 HE2 MET A 45 0.218 -1.852 3.590 1.00 0.00 H new ATOM 0 HE3 MET A 45 1.510 -2.334 4.715 1.00 0.00 H new ATOM 687 N ASN A 46 2.438 3.132 6.399 1.00 0.00 N ATOM 688 CA ASN A 46 2.400 3.884 7.646 1.00 0.00 C ATOM 689 C ASN A 46 2.870 5.321 7.443 1.00 0.00 C ATOM 690 O ASN A 46 2.352 6.243 8.077 1.00 0.00 O ATOM 691 CB ASN A 46 3.260 3.192 8.708 1.00 0.00 C ATOM 692 CG ASN A 46 2.568 3.112 10.055 1.00 0.00 C ATOM 693 OD1 ASN A 46 2.169 4.130 10.623 1.00 0.00 O ATOM 694 ND2 ASN A 46 2.421 1.899 10.574 1.00 0.00 N ATOM 0 H ASN A 46 3.142 2.394 6.369 1.00 0.00 H new ATOM 0 HA ASN A 46 1.365 3.914 7.988 1.00 0.00 H new ATOM 0 HB2 ASN A 46 3.508 2.186 8.371 1.00 0.00 H new ATOM 0 HB3 ASN A 46 4.200 3.732 8.818 1.00 0.00 H new ATOM 0 HD21 ASN A 46 1.962 1.783 11.478 1.00 0.00 H new ATOM 0 HD22 ASN A 46 2.767 1.083 10.069 1.00 0.00 H new ATOM 701 N PHE A 47 3.840 5.526 6.557 1.00 0.00 N ATOM 702 CA PHE A 47 4.321 6.875 6.301 1.00 0.00 C ATOM 703 C PHE A 47 3.265 7.645 5.532 1.00 0.00 C ATOM 704 O PHE A 47 3.022 8.818 5.803 1.00 0.00 O ATOM 705 CB PHE A 47 5.675 6.869 5.565 1.00 0.00 C ATOM 706 CG PHE A 47 5.605 7.113 4.075 1.00 0.00 C ATOM 707 CD1 PHE A 47 5.241 8.355 3.564 1.00 0.00 C ATOM 708 CD2 PHE A 47 5.918 6.098 3.186 1.00 0.00 C ATOM 709 CE1 PHE A 47 5.189 8.569 2.201 1.00 0.00 C ATOM 710 CE2 PHE A 47 5.870 6.309 1.822 1.00 0.00 C ATOM 711 CZ PHE A 47 5.505 7.546 1.329 1.00 0.00 C ATOM 0 H PHE A 47 4.298 4.792 6.016 1.00 0.00 H new ATOM 0 HA PHE A 47 4.496 7.374 7.254 1.00 0.00 H new ATOM 0 HB2 PHE A 47 6.315 7.630 6.011 1.00 0.00 H new ATOM 0 HB3 PHE A 47 6.158 5.907 5.736 1.00 0.00 H new ATOM 0 HD1 PHE A 47 4.997 9.160 4.241 1.00 0.00 H new ATOM 0 HD2 PHE A 47 6.204 5.128 3.565 1.00 0.00 H new ATOM 0 HE1 PHE A 47 4.901 9.536 1.817 1.00 0.00 H new ATOM 0 HE2 PHE A 47 6.118 5.507 1.142 1.00 0.00 H new ATOM 0 HZ PHE A 47 5.467 7.713 0.263 1.00 0.00 H new ATOM 721 N TYR A 48 2.619 6.971 4.589 1.00 0.00 N ATOM 722 CA TYR A 48 1.567 7.600 3.810 1.00 0.00 C ATOM 723 C TYR A 48 0.417 8.010 4.725 1.00 0.00 C ATOM 724 O TYR A 48 -0.054 9.142 4.674 1.00 0.00 O ATOM 725 CB TYR A 48 1.060 6.650 2.721 1.00 0.00 C ATOM 726 CG TYR A 48 1.931 6.612 1.483 1.00 0.00 C ATOM 727 CD1 TYR A 48 2.266 7.779 0.810 1.00 0.00 C ATOM 728 CD2 TYR A 48 2.413 5.406 0.987 1.00 0.00 C ATOM 729 CE1 TYR A 48 3.058 7.747 -0.323 1.00 0.00 C ATOM 730 CE2 TYR A 48 3.206 5.366 -0.146 1.00 0.00 C ATOM 731 CZ TYR A 48 3.524 6.539 -0.796 1.00 0.00 C ATOM 732 OH TYR A 48 4.312 6.503 -1.924 1.00 0.00 O ATOM 0 H TYR A 48 2.805 5.997 4.348 1.00 0.00 H new ATOM 0 HA TYR A 48 1.975 8.489 3.329 1.00 0.00 H new ATOM 0 HB2 TYR A 48 0.990 5.644 3.135 1.00 0.00 H new ATOM 0 HB3 TYR A 48 0.051 6.948 2.434 1.00 0.00 H new ATOM 0 HD1 TYR A 48 1.902 8.727 1.177 1.00 0.00 H new ATOM 0 HD2 TYR A 48 2.164 4.486 1.494 1.00 0.00 H new ATOM 0 HE1 TYR A 48 3.310 8.664 -0.835 1.00 0.00 H new ATOM 0 HE2 TYR A 48 3.574 4.421 -0.519 1.00 0.00 H new ATOM 0 HH TYR A 48 4.557 5.575 -2.123 1.00 0.00 H new ATOM 742 N ILE A 49 -0.045 7.069 5.543 1.00 0.00 N ATOM 743 CA ILE A 49 -1.158 7.326 6.449 1.00 0.00 C ATOM 744 C ILE A 49 -0.886 8.519 7.370 1.00 0.00 C ATOM 745 O ILE A 49 -1.725 9.412 7.490 1.00 0.00 O ATOM 746 CB ILE A 49 -1.492 6.083 7.309 1.00 0.00 C ATOM 747 CG1 ILE A 49 -2.734 6.342 8.162 1.00 0.00 C ATOM 748 CG2 ILE A 49 -0.315 5.705 8.184 1.00 0.00 C ATOM 749 CD1 ILE A 49 -3.096 5.190 9.074 1.00 0.00 C ATOM 0 H ILE A 49 0.334 6.123 5.597 1.00 0.00 H new ATOM 0 HA ILE A 49 -2.014 7.562 5.817 1.00 0.00 H new ATOM 0 HB ILE A 49 -1.700 5.249 6.639 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -2.570 7.234 8.766 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -3.578 6.553 7.505 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -0.571 4.829 8.780 1.00 0.00 H new ATOM 0 HG22 ILE A 49 0.547 5.477 7.556 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -0.072 6.536 8.846 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -3.987 5.446 9.648 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -3.293 4.300 8.476 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.269 4.992 9.756 1.00 0.00 H new ATOM 761 N ASN A 50 0.277 8.543 8.022 1.00 0.00 N ATOM 762 CA ASN A 50 0.603 9.647 8.923 1.00 0.00 C ATOM 763 C ASN A 50 0.953 10.914 8.145 1.00 0.00 C ATOM 764 O ASN A 50 0.718 12.027 8.616 1.00 0.00 O ATOM 765 CB ASN A 50 1.744 9.261 9.875 1.00 0.00 C ATOM 766 CG ASN A 50 3.098 9.209 9.198 1.00 0.00 C ATOM 767 OD1 ASN A 50 3.648 8.133 8.976 1.00 0.00 O ATOM 768 ND2 ASN A 50 3.653 10.374 8.880 1.00 0.00 N ATOM 0 H ASN A 50 0.997 7.824 7.945 1.00 0.00 H new ATOM 0 HA ASN A 50 -0.284 9.857 9.521 1.00 0.00 H new ATOM 0 HB2 ASN A 50 1.783 9.979 10.694 1.00 0.00 H new ATOM 0 HB3 ASN A 50 1.528 8.287 10.314 1.00 0.00 H new ATOM 0 HD21 ASN A 50 4.570 10.397 8.434 1.00 0.00 H new ATOM 0 HD22 ASN A 50 3.162 11.245 9.082 1.00 0.00 H new ATOM 775 N TYR A 51 1.528 10.739 6.961 1.00 0.00 N ATOM 776 CA TYR A 51 1.925 11.865 6.123 1.00 0.00 C ATOM 777 C TYR A 51 0.708 12.593 5.554 1.00 0.00 C ATOM 778 O TYR A 51 0.636 13.822 5.586 1.00 0.00 O ATOM 779 CB TYR A 51 2.830 11.356 4.998 1.00 0.00 C ATOM 780 CG TYR A 51 3.129 12.361 3.910 1.00 0.00 C ATOM 781 CD1 TYR A 51 3.065 13.729 4.143 1.00 0.00 C ATOM 782 CD2 TYR A 51 3.486 11.927 2.643 1.00 0.00 C ATOM 783 CE1 TYR A 51 3.346 14.636 3.139 1.00 0.00 C ATOM 784 CE2 TYR A 51 3.770 12.822 1.635 1.00 0.00 C ATOM 785 CZ TYR A 51 3.698 14.178 1.886 1.00 0.00 C ATOM 786 OH TYR A 51 3.980 15.076 0.882 1.00 0.00 O ATOM 0 H TYR A 51 1.731 9.824 6.558 1.00 0.00 H new ATOM 0 HA TYR A 51 2.472 12.584 6.733 1.00 0.00 H new ATOM 0 HB2 TYR A 51 3.773 11.024 5.433 1.00 0.00 H new ATOM 0 HB3 TYR A 51 2.363 10.482 4.545 1.00 0.00 H new ATOM 0 HD1 TYR A 51 2.791 14.089 5.124 1.00 0.00 H new ATOM 0 HD2 TYR A 51 3.543 10.867 2.442 1.00 0.00 H new ATOM 0 HE1 TYR A 51 3.290 15.697 3.334 1.00 0.00 H new ATOM 0 HE2 TYR A 51 4.047 12.465 0.654 1.00 0.00 H new ATOM 0 HH TYR A 51 4.211 14.589 0.063 1.00 0.00 H new ATOM 796 N TYR A 52 -0.237 11.829 5.029 1.00 0.00 N ATOM 797 CA TYR A 52 -1.447 12.398 4.446 1.00 0.00 C ATOM 798 C TYR A 52 -2.402 12.896 5.525 1.00 0.00 C ATOM 799 O TYR A 52 -3.077 13.910 5.346 1.00 0.00 O ATOM 800 CB TYR A 52 -2.142 11.363 3.562 1.00 0.00 C ATOM 801 CG TYR A 52 -1.317 10.947 2.367 1.00 0.00 C ATOM 802 CD1 TYR A 52 -0.597 11.888 1.641 1.00 0.00 C ATOM 803 CD2 TYR A 52 -1.253 9.619 1.966 1.00 0.00 C ATOM 804 CE1 TYR A 52 0.163 11.518 0.550 1.00 0.00 C ATOM 805 CE2 TYR A 52 -0.495 9.241 0.875 1.00 0.00 C ATOM 806 CZ TYR A 52 0.211 10.194 0.171 1.00 0.00 C ATOM 807 OH TYR A 52 0.967 9.821 -0.916 1.00 0.00 O ATOM 0 H TYR A 52 -0.191 10.811 4.994 1.00 0.00 H new ATOM 0 HA TYR A 52 -1.157 13.253 3.835 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -2.373 10.481 4.160 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -3.091 11.771 3.215 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -0.633 12.926 1.935 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -1.804 8.870 2.516 1.00 0.00 H new ATOM 0 HE1 TYR A 52 0.717 12.262 -0.003 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -0.455 8.204 0.575 1.00 0.00 H new ATOM 0 HH TYR A 52 1.373 8.945 -0.747 1.00 0.00 H new ATOM 817 N ARG A 53 -2.449 12.187 6.648 1.00 0.00 N ATOM 818 CA ARG A 53 -3.320 12.568 7.757 1.00 0.00 C ATOM 819 C ARG A 53 -2.961 13.950 8.300 1.00 0.00 C ATOM 820 O ARG A 53 -3.702 14.521 9.100 1.00 0.00 O ATOM 821 CB ARG A 53 -3.230 11.535 8.882 1.00 0.00 C ATOM 822 CG ARG A 53 -4.275 11.724 9.971 1.00 0.00 C ATOM 823 CD ARG A 53 -4.867 10.394 10.411 1.00 0.00 C ATOM 824 NE ARG A 53 -3.933 9.619 11.226 1.00 0.00 N ATOM 825 CZ ARG A 53 -3.802 9.761 12.543 1.00 0.00 C ATOM 826 NH1 ARG A 53 -4.534 10.655 13.199 1.00 0.00 N ATOM 827 NH2 ARG A 53 -2.935 9.010 13.208 1.00 0.00 N ATOM 0 H ARG A 53 -1.896 11.347 6.815 1.00 0.00 H new ATOM 0 HA ARG A 53 -4.341 12.604 7.377 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -3.338 10.537 8.457 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -2.238 11.585 9.330 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -3.823 12.224 10.828 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -5.070 12.374 9.605 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -5.780 10.574 10.979 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -5.148 9.814 9.532 1.00 0.00 H new ATOM 0 HE ARG A 53 -3.347 8.928 10.757 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -5.201 11.238 12.693 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -4.429 10.759 14.208 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -2.368 8.323 12.710 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -2.835 9.119 14.217 1.00 0.00 H new ATOM 841 N GLN A 54 -1.827 14.491 7.861 1.00 0.00 N ATOM 842 CA GLN A 54 -1.384 15.802 8.297 1.00 0.00 C ATOM 843 C GLN A 54 -1.323 16.778 7.118 1.00 0.00 C ATOM 844 O GLN A 54 -1.055 17.966 7.301 1.00 0.00 O ATOM 845 CB GLN A 54 -0.014 15.670 8.980 1.00 0.00 C ATOM 846 CG GLN A 54 0.967 16.788 8.663 1.00 0.00 C ATOM 847 CD GLN A 54 2.281 16.632 9.402 1.00 0.00 C ATOM 848 OE1 GLN A 54 2.637 17.459 10.240 1.00 0.00 O ATOM 849 NE2 GLN A 54 3.009 15.565 9.093 1.00 0.00 N ATOM 0 H GLN A 54 -1.199 14.034 7.200 1.00 0.00 H new ATOM 0 HA GLN A 54 -2.100 16.205 9.013 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -0.164 15.632 10.059 1.00 0.00 H new ATOM 0 HB3 GLN A 54 0.432 14.720 8.687 1.00 0.00 H new ATOM 0 HG2 GLN A 54 1.157 16.807 7.590 1.00 0.00 H new ATOM 0 HG3 GLN A 54 0.518 17.746 8.924 1.00 0.00 H new ATOM 0 HE21 GLN A 54 2.674 14.905 8.391 1.00 0.00 H new ATOM 0 HE22 GLN A 54 3.903 15.406 9.558 1.00 0.00 H new ATOM 858 N GLN A 55 -1.553 16.273 5.903 1.00 0.00 N ATOM 859 CA GLN A 55 -1.496 17.109 4.708 1.00 0.00 C ATOM 860 C GLN A 55 -2.845 17.174 3.991 1.00 0.00 C ATOM 861 O GLN A 55 -2.944 16.863 2.804 1.00 0.00 O ATOM 862 CB GLN A 55 -0.426 16.571 3.754 1.00 0.00 C ATOM 863 CG GLN A 55 -0.151 17.477 2.562 1.00 0.00 C ATOM 864 CD GLN A 55 0.837 18.582 2.883 1.00 0.00 C ATOM 865 OE1 GLN A 55 0.579 19.756 2.618 1.00 0.00 O ATOM 866 NE2 GLN A 55 1.977 18.211 3.454 1.00 0.00 N ATOM 0 H GLN A 55 -1.779 15.294 5.725 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.241 18.121 5.022 1.00 0.00 H new ATOM 0 HB2 GLN A 55 0.501 16.425 4.308 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -0.737 15.592 3.390 1.00 0.00 H new ATOM 0 HG2 GLN A 55 0.235 16.878 1.737 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -1.088 17.920 2.223 1.00 0.00 H new ATOM 0 HE21 GLN A 55 2.149 17.226 3.656 1.00 0.00 H new ATOM 0 HE22 GLN A 55 2.680 18.911 3.691 1.00 0.00 H new ATOM 927 N PRO A 60 -11.668 18.826 9.421 1.00 0.00 N ATOM 928 CA PRO A 60 -11.212 17.471 9.756 1.00 0.00 C ATOM 929 C PRO A 60 -12.024 16.372 9.073 1.00 0.00 C ATOM 930 O PRO A 60 -11.564 15.235 8.970 1.00 0.00 O ATOM 931 CB PRO A 60 -11.388 17.390 11.276 1.00 0.00 C ATOM 932 CG PRO A 60 -12.406 18.427 11.595 1.00 0.00 C ATOM 933 CD PRO A 60 -12.171 19.537 10.614 1.00 0.00 C ATOM 0 HA PRO A 60 -10.189 17.310 9.417 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -11.722 16.399 11.584 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -10.449 17.585 11.794 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -13.416 18.027 11.501 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -12.298 18.780 12.620 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -13.087 20.087 10.400 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -11.446 20.260 10.988 1.00 0.00 H new ATOM 941 N GLN A 61 -13.229 16.698 8.608 1.00 0.00 N ATOM 942 CA GLN A 61 -14.077 15.710 7.947 1.00 0.00 C ATOM 943 C GLN A 61 -13.531 15.340 6.571 1.00 0.00 C ATOM 944 O GLN A 61 -13.483 14.165 6.207 1.00 0.00 O ATOM 945 CB GLN A 61 -15.505 16.249 7.813 1.00 0.00 C ATOM 946 CG GLN A 61 -16.520 15.508 8.671 1.00 0.00 C ATOM 947 CD GLN A 61 -17.644 14.902 7.852 1.00 0.00 C ATOM 948 OE1 GLN A 61 -18.184 15.541 6.949 1.00 0.00 O ATOM 949 NE2 GLN A 61 -18.003 13.661 8.166 1.00 0.00 N ATOM 0 H GLN A 61 -13.637 17.631 8.676 1.00 0.00 H new ATOM 0 HA GLN A 61 -14.085 14.810 8.562 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -15.513 17.304 8.086 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -15.811 16.187 6.769 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -16.014 14.719 9.226 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -16.940 16.195 9.405 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -17.528 13.169 8.922 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -18.754 13.201 7.651 1.00 0.00 H new ATOM 958 N GLU A 62 -13.111 16.347 5.816 1.00 0.00 N ATOM 959 CA GLU A 62 -12.559 16.129 4.485 1.00 0.00 C ATOM 960 C GLU A 62 -11.292 15.292 4.583 1.00 0.00 C ATOM 961 O GLU A 62 -11.065 14.380 3.783 1.00 0.00 O ATOM 962 CB GLU A 62 -12.258 17.469 3.805 1.00 0.00 C ATOM 963 CG GLU A 62 -12.983 17.657 2.482 1.00 0.00 C ATOM 964 CD GLU A 62 -13.565 19.050 2.326 1.00 0.00 C ATOM 965 OE1 GLU A 62 -14.639 19.313 2.908 1.00 0.00 O ATOM 966 OE2 GLU A 62 -12.947 19.876 1.622 1.00 0.00 O ATOM 0 H GLU A 62 -13.142 17.325 6.104 1.00 0.00 H new ATOM 0 HA GLU A 62 -13.293 15.594 3.882 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -12.535 18.279 4.480 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -11.184 17.548 3.636 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -12.291 17.463 1.662 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -13.784 16.922 2.404 1.00 0.00 H new ATOM 973 N ARG A 63 -10.478 15.601 5.586 1.00 0.00 N ATOM 974 CA ARG A 63 -9.239 14.872 5.813 1.00 0.00 C ATOM 975 C ARG A 63 -9.551 13.421 6.140 1.00 0.00 C ATOM 976 O ARG A 63 -8.970 12.501 5.568 1.00 0.00 O ATOM 977 CB ARG A 63 -8.434 15.498 6.961 1.00 0.00 C ATOM 978 CG ARG A 63 -8.632 16.997 7.118 1.00 0.00 C ATOM 979 CD ARG A 63 -7.598 17.597 8.054 1.00 0.00 C ATOM 980 NE ARG A 63 -7.691 19.054 8.111 1.00 0.00 N ATOM 981 CZ ARG A 63 -7.288 19.785 9.149 1.00 0.00 C ATOM 982 NH1 ARG A 63 -6.764 19.201 10.221 1.00 0.00 N ATOM 983 NH2 ARG A 63 -7.408 21.105 9.115 1.00 0.00 N ATOM 0 H ARG A 63 -10.655 16.351 6.254 1.00 0.00 H new ATOM 0 HA ARG A 63 -8.639 14.924 4.904 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -8.711 15.007 7.894 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -7.375 15.298 6.798 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -8.565 17.479 6.142 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -9.632 17.195 7.503 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -7.733 17.186 9.054 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -6.600 17.310 7.723 1.00 0.00 H new ATOM 0 HE ARG A 63 -8.088 19.541 7.308 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -6.668 18.186 10.253 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -6.458 19.768 11.012 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -7.809 21.560 8.295 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -7.100 21.666 9.909 1.00 0.00 H new ATOM 997 N ASP A 64 -10.465 13.234 7.084 1.00 0.00 N ATOM 998 CA ASP A 64 -10.858 11.901 7.518 1.00 0.00 C ATOM 999 C ASP A 64 -11.320 11.045 6.342 1.00 0.00 C ATOM 1000 O ASP A 64 -10.983 9.864 6.267 1.00 0.00 O ATOM 1001 CB ASP A 64 -11.968 11.991 8.567 1.00 0.00 C ATOM 1002 CG ASP A 64 -11.443 11.830 9.981 1.00 0.00 C ATOM 1003 OD1 ASP A 64 -10.852 12.797 10.508 1.00 0.00 O ATOM 1004 OD2 ASP A 64 -11.623 10.739 10.560 1.00 0.00 O ATOM 0 H ASP A 64 -10.949 13.992 7.565 1.00 0.00 H new ATOM 0 HA ASP A 64 -9.983 11.424 7.960 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -12.472 12.953 8.477 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -12.714 11.221 8.370 1.00 0.00 H new ATOM 1009 N LYS A 65 -12.086 11.627 5.418 1.00 0.00 N ATOM 1010 CA LYS A 65 -12.563 10.874 4.263 1.00 0.00 C ATOM 1011 C LYS A 65 -11.398 10.454 3.380 1.00 0.00 C ATOM 1012 O LYS A 65 -11.276 9.290 3.000 1.00 0.00 O ATOM 1013 CB LYS A 65 -13.563 11.704 3.457 1.00 0.00 C ATOM 1014 CG LYS A 65 -14.951 11.089 3.398 1.00 0.00 C ATOM 1015 CD LYS A 65 -16.035 12.151 3.481 1.00 0.00 C ATOM 1016 CE LYS A 65 -17.291 11.616 4.148 1.00 0.00 C ATOM 1017 NZ LYS A 65 -18.008 12.673 4.913 1.00 0.00 N ATOM 0 H LYS A 65 -12.384 12.602 5.447 1.00 0.00 H new ATOM 0 HA LYS A 65 -13.066 9.977 4.625 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -13.633 12.700 3.895 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -13.186 11.828 2.442 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -15.062 10.526 2.471 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -15.071 10.380 4.217 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -15.663 13.009 4.040 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -16.277 12.504 2.479 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -17.956 11.202 3.390 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -17.026 10.799 4.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -18.859 12.267 5.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -17.383 13.051 5.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -18.284 13.441 4.268 1.00 0.00 H new ATOM 1031 N ALA A 66 -10.538 11.406 3.056 1.00 0.00 N ATOM 1032 CA ALA A 66 -9.378 11.119 2.225 1.00 0.00 C ATOM 1033 C ALA A 66 -8.477 10.101 2.916 1.00 0.00 C ATOM 1034 O ALA A 66 -7.891 9.230 2.273 1.00 0.00 O ATOM 1035 CB ALA A 66 -8.610 12.397 1.922 1.00 0.00 C ATOM 0 H ALA A 66 -10.619 12.378 3.353 1.00 0.00 H new ATOM 0 HA ALA A 66 -9.720 10.696 1.280 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -7.746 12.163 1.300 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -9.259 13.095 1.394 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -8.274 12.849 2.855 1.00 0.00 H new ATOM 1041 N LEU A 67 -8.367 10.232 4.236 1.00 0.00 N ATOM 1042 CA LEU A 67 -7.533 9.344 5.037 1.00 0.00 C ATOM 1043 C LEU A 67 -8.006 7.893 4.959 1.00 0.00 C ATOM 1044 O LEU A 67 -7.191 6.979 4.824 1.00 0.00 O ATOM 1045 CB LEU A 67 -7.520 9.807 6.496 1.00 0.00 C ATOM 1046 CG LEU A 67 -6.323 10.676 6.885 1.00 0.00 C ATOM 1047 CD1 LEU A 67 -5.034 9.878 6.781 1.00 0.00 C ATOM 1048 CD2 LEU A 67 -6.259 11.919 6.007 1.00 0.00 C ATOM 0 H LEU A 67 -8.850 10.951 4.775 1.00 0.00 H new ATOM 0 HA LEU A 67 -6.523 9.388 4.629 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -8.435 10.365 6.693 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -7.538 8.928 7.141 1.00 0.00 H new ATOM 0 HG LEU A 67 -6.447 10.995 7.920 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.191 10.510 7.061 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -5.082 9.020 7.451 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -4.903 9.531 5.756 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -5.401 12.526 6.297 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -6.157 11.622 4.963 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -7.173 12.500 6.131 1.00 0.00 H new ATOM 1060 N GLN A 68 -9.318 7.675 5.031 1.00 0.00 N ATOM 1061 CA GLN A 68 -9.849 6.319 4.957 1.00 0.00 C ATOM 1062 C GLN A 68 -9.763 5.800 3.528 1.00 0.00 C ATOM 1063 O GLN A 68 -9.498 4.620 3.300 1.00 0.00 O ATOM 1064 CB GLN A 68 -11.295 6.248 5.471 1.00 0.00 C ATOM 1065 CG GLN A 68 -12.242 7.247 4.825 1.00 0.00 C ATOM 1066 CD GLN A 68 -12.922 6.696 3.585 1.00 0.00 C ATOM 1067 OE1 GLN A 68 -12.386 5.823 2.903 1.00 0.00 O ATOM 1068 NE2 GLN A 68 -14.113 7.203 3.289 1.00 0.00 N ATOM 0 H GLN A 68 -10.020 8.407 5.139 1.00 0.00 H new ATOM 0 HA GLN A 68 -9.241 5.685 5.603 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -11.678 5.242 5.303 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -11.293 6.412 6.549 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -13.001 7.542 5.549 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -11.688 8.147 4.560 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -14.521 7.926 3.882 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -14.620 6.870 2.469 1.00 0.00 H new ATOM 1077 N GLU A 69 -9.978 6.691 2.565 1.00 0.00 N ATOM 1078 CA GLU A 69 -9.912 6.319 1.159 1.00 0.00 C ATOM 1079 C GLU A 69 -8.504 5.881 0.791 1.00 0.00 C ATOM 1080 O GLU A 69 -8.313 4.853 0.141 1.00 0.00 O ATOM 1081 CB GLU A 69 -10.349 7.485 0.270 1.00 0.00 C ATOM 1082 CG GLU A 69 -11.105 7.051 -0.975 1.00 0.00 C ATOM 1083 CD GLU A 69 -12.304 7.931 -1.266 1.00 0.00 C ATOM 1084 OE1 GLU A 69 -12.107 9.058 -1.767 1.00 0.00 O ATOM 1085 OE2 GLU A 69 -13.442 7.493 -0.992 1.00 0.00 O ATOM 0 H GLU A 69 -10.199 7.672 2.733 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.594 5.484 0.996 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -10.979 8.158 0.851 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -9.468 8.053 -0.030 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -10.430 7.069 -1.830 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -11.437 6.020 -0.853 1.00 0.00 H new ATOM 1092 N LEU A 70 -7.515 6.657 1.221 1.00 0.00 N ATOM 1093 CA LEU A 70 -6.124 6.327 0.943 1.00 0.00 C ATOM 1094 C LEU A 70 -5.780 4.995 1.591 1.00 0.00 C ATOM 1095 O LEU A 70 -5.218 4.104 0.953 1.00 0.00 O ATOM 1096 CB LEU A 70 -5.194 7.428 1.460 1.00 0.00 C ATOM 1097 CG LEU A 70 -4.741 8.440 0.405 1.00 0.00 C ATOM 1098 CD1 LEU A 70 -4.289 9.734 1.065 1.00 0.00 C ATOM 1099 CD2 LEU A 70 -3.625 7.857 -0.449 1.00 0.00 C ATOM 0 H LEU A 70 -7.650 7.513 1.760 1.00 0.00 H new ATOM 0 HA LEU A 70 -5.987 6.248 -0.135 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -5.701 7.964 2.262 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -4.311 6.962 1.897 1.00 0.00 H new ATOM 0 HG LEU A 70 -5.588 8.664 -0.243 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -3.971 10.441 0.299 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -5.116 10.161 1.632 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -3.456 9.528 1.737 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -3.316 8.590 -1.194 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -2.776 7.604 0.186 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -3.983 6.959 -0.952 1.00 0.00 H new ATOM 1111 N ARG A 71 -6.125 4.871 2.868 1.00 0.00 N ATOM 1112 CA ARG A 71 -5.859 3.650 3.618 1.00 0.00 C ATOM 1113 C ARG A 71 -6.466 2.446 2.907 1.00 0.00 C ATOM 1114 O ARG A 71 -5.815 1.413 2.750 1.00 0.00 O ATOM 1115 CB ARG A 71 -6.434 3.765 5.032 1.00 0.00 C ATOM 1116 CG ARG A 71 -5.655 2.981 6.075 1.00 0.00 C ATOM 1117 CD ARG A 71 -5.813 3.587 7.462 1.00 0.00 C ATOM 1118 NE ARG A 71 -6.012 2.565 8.488 1.00 0.00 N ATOM 1119 CZ ARG A 71 -7.182 1.979 8.735 1.00 0.00 C ATOM 1120 NH1 ARG A 71 -8.258 2.302 8.029 1.00 0.00 N ATOM 1121 NH2 ARG A 71 -7.274 1.064 9.690 1.00 0.00 N ATOM 0 H ARG A 71 -6.590 5.603 3.406 1.00 0.00 H new ATOM 0 HA ARG A 71 -4.780 3.511 3.683 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -6.455 4.816 5.321 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -7.466 3.416 5.024 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -6.000 1.947 6.087 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -4.600 2.961 5.804 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -4.928 4.175 7.703 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -6.661 4.272 7.464 1.00 0.00 H new ATOM 0 HE ARG A 71 -5.207 2.284 9.048 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -8.192 3.003 7.291 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -9.151 1.849 8.224 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -6.449 0.810 10.234 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -8.169 0.614 9.881 1.00 0.00 H new ATOM 1135 N GLN A 72 -7.713 2.588 2.468 1.00 0.00 N ATOM 1136 CA GLN A 72 -8.389 1.507 1.763 1.00 0.00 C ATOM 1137 C GLN A 72 -7.682 1.212 0.447 1.00 0.00 C ATOM 1138 O GLN A 72 -7.656 0.071 -0.015 1.00 0.00 O ATOM 1139 CB GLN A 72 -9.855 1.862 1.507 1.00 0.00 C ATOM 1140 CG GLN A 72 -10.767 1.568 2.685 1.00 0.00 C ATOM 1141 CD GLN A 72 -11.367 0.177 2.624 1.00 0.00 C ATOM 1142 OE1 GLN A 72 -11.053 -0.684 3.445 1.00 0.00 O ATOM 1143 NE2 GLN A 72 -12.236 -0.049 1.645 1.00 0.00 N ATOM 0 H GLN A 72 -8.271 3.434 2.587 1.00 0.00 H new ATOM 0 HA GLN A 72 -8.355 0.615 2.389 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -9.926 2.921 1.259 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -10.208 1.307 0.638 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -10.204 1.677 3.612 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -11.570 2.305 2.711 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -12.467 0.695 0.986 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -12.672 -0.966 1.552 1.00 0.00 H new ATOM 1152 N GLU A 73 -7.099 2.247 -0.147 1.00 0.00 N ATOM 1153 CA GLU A 73 -6.379 2.094 -1.402 1.00 0.00 C ATOM 1154 C GLU A 73 -5.132 1.243 -1.193 1.00 0.00 C ATOM 1155 O GLU A 73 -4.904 0.273 -1.914 1.00 0.00 O ATOM 1156 CB GLU A 73 -5.990 3.461 -1.968 1.00 0.00 C ATOM 1157 CG GLU A 73 -6.009 3.519 -3.487 1.00 0.00 C ATOM 1158 CD GLU A 73 -7.415 3.516 -4.053 1.00 0.00 C ATOM 1159 OE1 GLU A 73 -8.008 4.609 -4.175 1.00 0.00 O ATOM 1160 OE2 GLU A 73 -7.923 2.421 -4.375 1.00 0.00 O ATOM 0 H GLU A 73 -7.112 3.198 0.221 1.00 0.00 H new ATOM 0 HA GLU A 73 -7.034 1.595 -2.116 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -6.672 4.215 -1.575 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -4.992 3.720 -1.615 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -5.490 4.418 -3.819 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -5.459 2.667 -3.886 1.00 0.00 H new ATOM 1167 N LEU A 74 -4.332 1.609 -0.196 1.00 0.00 N ATOM 1168 CA LEU A 74 -3.113 0.875 0.107 1.00 0.00 C ATOM 1169 C LEU A 74 -3.440 -0.524 0.622 1.00 0.00 C ATOM 1170 O LEU A 74 -2.820 -1.497 0.210 1.00 0.00 O ATOM 1171 CB LEU A 74 -2.277 1.638 1.133 1.00 0.00 C ATOM 1172 CG LEU A 74 -1.902 3.065 0.724 1.00 0.00 C ATOM 1173 CD1 LEU A 74 -1.953 4.000 1.922 1.00 0.00 C ATOM 1174 CD2 LEU A 74 -0.523 3.089 0.084 1.00 0.00 C ATOM 0 H LEU A 74 -4.507 2.408 0.413 1.00 0.00 H new ATOM 0 HA LEU A 74 -2.534 0.775 -0.811 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.828 1.678 2.072 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -1.362 1.078 1.324 1.00 0.00 H new ATOM 0 HG LEU A 74 -2.629 3.414 -0.010 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -1.683 5.008 1.608 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -2.961 4.006 2.336 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -1.251 3.656 2.682 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -0.272 4.111 -0.201 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.215 2.719 0.796 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -0.522 2.455 -0.802 1.00 0.00 H new ATOM 1186 N ASN A 75 -4.405 -0.621 1.535 1.00 0.00 N ATOM 1187 CA ASN A 75 -4.788 -1.916 2.097 1.00 0.00 C ATOM 1188 C ASN A 75 -5.153 -2.903 0.991 1.00 0.00 C ATOM 1189 O ASN A 75 -4.628 -4.015 0.932 1.00 0.00 O ATOM 1190 CB ASN A 75 -5.971 -1.749 3.054 1.00 0.00 C ATOM 1191 CG ASN A 75 -5.531 -1.422 4.466 1.00 0.00 C ATOM 1192 OD1 ASN A 75 -4.818 -2.198 5.102 1.00 0.00 O ATOM 1193 ND2 ASN A 75 -5.956 -0.268 4.966 1.00 0.00 N ATOM 0 H ASN A 75 -4.932 0.173 1.899 1.00 0.00 H new ATOM 0 HA ASN A 75 -3.934 -2.312 2.647 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -6.623 -0.956 2.687 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -6.559 -2.666 3.063 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -5.693 0.005 5.913 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -6.546 0.345 4.403 1.00 0.00 H new ATOM 1200 N THR A 76 -6.052 -2.475 0.116 1.00 0.00 N ATOM 1201 CA THR A 76 -6.478 -3.325 -0.991 1.00 0.00 C ATOM 1202 C THR A 76 -5.308 -3.540 -1.945 1.00 0.00 C ATOM 1203 O THR A 76 -4.980 -4.669 -2.303 1.00 0.00 O ATOM 1204 CB THR A 76 -7.651 -2.686 -1.738 1.00 0.00 C ATOM 1205 OG1 THR A 76 -8.619 -2.196 -0.829 1.00 0.00 O ATOM 1206 CG2 THR A 76 -8.350 -3.638 -2.684 1.00 0.00 C ATOM 0 H THR A 76 -6.496 -1.557 0.148 1.00 0.00 H new ATOM 0 HA THR A 76 -6.805 -4.286 -0.594 1.00 0.00 H new ATOM 0 HB THR A 76 -7.213 -1.877 -2.322 1.00 0.00 H new ATOM 0 HG1 THR A 76 -8.555 -1.219 -0.778 1.00 0.00 H new ATOM 0 HG21 THR A 76 -9.171 -3.120 -3.180 1.00 0.00 H new ATOM 0 HG22 THR A 76 -7.641 -3.994 -3.431 1.00 0.00 H new ATOM 0 HG23 THR A 76 -8.742 -4.486 -2.123 1.00 0.00 H new ATOM 1214 N LEU A 77 -4.697 -2.440 -2.361 1.00 0.00 N ATOM 1215 CA LEU A 77 -3.570 -2.474 -3.289 1.00 0.00 C ATOM 1216 C LEU A 77 -2.468 -3.438 -2.835 1.00 0.00 C ATOM 1217 O LEU A 77 -1.933 -4.203 -3.637 1.00 0.00 O ATOM 1218 CB LEU A 77 -2.988 -1.065 -3.440 1.00 0.00 C ATOM 1219 CG LEU A 77 -3.756 -0.139 -4.387 1.00 0.00 C ATOM 1220 CD1 LEU A 77 -3.184 1.269 -4.332 1.00 0.00 C ATOM 1221 CD2 LEU A 77 -3.718 -0.677 -5.812 1.00 0.00 C ATOM 0 H LEU A 77 -4.965 -1.501 -2.067 1.00 0.00 H new ATOM 0 HA LEU A 77 -3.946 -2.835 -4.246 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.948 -0.599 -2.456 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -1.961 -1.150 -3.795 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.796 -0.102 -4.064 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.741 1.915 -5.011 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -3.265 1.655 -3.316 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.136 1.248 -4.630 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.269 -0.005 -6.470 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.683 -0.745 -6.148 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -4.174 -1.667 -5.840 1.00 0.00 H new ATOM 1233 N ALA A 78 -2.122 -3.376 -1.554 1.00 0.00 N ATOM 1234 CA ALA A 78 -1.073 -4.220 -0.983 1.00 0.00 C ATOM 1235 C ALA A 78 -1.527 -5.665 -0.766 1.00 0.00 C ATOM 1236 O ALA A 78 -0.704 -6.579 -0.709 1.00 0.00 O ATOM 1237 CB ALA A 78 -0.586 -3.617 0.326 1.00 0.00 C ATOM 0 H ALA A 78 -2.557 -2.743 -0.883 1.00 0.00 H new ATOM 0 HA ALA A 78 -0.256 -4.254 -1.704 1.00 0.00 H new ATOM 0 HB1 ALA A 78 0.196 -4.248 0.749 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -0.187 -2.620 0.141 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -1.418 -3.550 1.027 1.00 0.00 H new ATOM 1243 N ASN A 79 -2.831 -5.860 -0.594 1.00 0.00 N ATOM 1244 CA ASN A 79 -3.381 -7.191 -0.324 1.00 0.00 C ATOM 1245 C ASN A 79 -2.893 -8.239 -1.336 1.00 0.00 C ATOM 1246 O ASN A 79 -2.429 -9.308 -0.941 1.00 0.00 O ATOM 1247 CB ASN A 79 -4.919 -7.115 -0.303 1.00 0.00 C ATOM 1248 CG ASN A 79 -5.604 -8.213 -1.101 1.00 0.00 C ATOM 1249 OD1 ASN A 79 -5.304 -9.397 -0.940 1.00 0.00 O ATOM 1250 ND2 ASN A 79 -6.534 -7.822 -1.968 1.00 0.00 N ATOM 0 H ASN A 79 -3.528 -5.117 -0.636 1.00 0.00 H new ATOM 0 HA ASN A 79 -3.021 -7.515 0.652 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -5.261 -7.164 0.731 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -5.230 -6.147 -0.696 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -7.029 -8.513 -2.531 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -6.752 -6.831 -2.070 1.00 0.00 H new ATOM 1257 N PRO A 80 -2.986 -7.960 -2.645 1.00 0.00 N ATOM 1258 CA PRO A 80 -2.544 -8.905 -3.679 1.00 0.00 C ATOM 1259 C PRO A 80 -1.023 -9.021 -3.763 1.00 0.00 C ATOM 1260 O PRO A 80 -0.494 -10.025 -4.246 1.00 0.00 O ATOM 1261 CB PRO A 80 -3.105 -8.301 -4.966 1.00 0.00 C ATOM 1262 CG PRO A 80 -3.179 -6.841 -4.688 1.00 0.00 C ATOM 1263 CD PRO A 80 -3.525 -6.719 -3.229 1.00 0.00 C ATOM 0 HA PRO A 80 -2.889 -9.919 -3.476 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -2.459 -8.511 -5.818 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -4.087 -8.711 -5.202 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -2.229 -6.353 -4.907 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -3.935 -6.362 -5.311 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -3.072 -5.834 -2.781 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -4.601 -6.638 -3.077 1.00 0.00 H new ATOM 1271 N PHE A 81 -0.324 -7.993 -3.290 1.00 0.00 N ATOM 1272 CA PHE A 81 1.135 -7.974 -3.316 1.00 0.00 C ATOM 1273 C PHE A 81 1.718 -8.933 -2.285 1.00 0.00 C ATOM 1274 O PHE A 81 2.594 -9.741 -2.596 1.00 0.00 O ATOM 1275 CB PHE A 81 1.632 -6.552 -3.042 1.00 0.00 C ATOM 1276 CG PHE A 81 3.125 -6.395 -3.107 1.00 0.00 C ATOM 1277 CD1 PHE A 81 3.945 -6.966 -2.147 1.00 0.00 C ATOM 1278 CD2 PHE A 81 3.706 -5.661 -4.126 1.00 0.00 C ATOM 1279 CE1 PHE A 81 5.317 -6.809 -2.205 1.00 0.00 C ATOM 1280 CE2 PHE A 81 5.076 -5.500 -4.191 1.00 0.00 C ATOM 1281 CZ PHE A 81 5.884 -6.073 -3.228 1.00 0.00 C ATOM 0 H PHE A 81 -0.747 -7.159 -2.882 1.00 0.00 H new ATOM 0 HA PHE A 81 1.466 -8.298 -4.303 1.00 0.00 H new ATOM 0 HB2 PHE A 81 1.176 -5.875 -3.764 1.00 0.00 H new ATOM 0 HB3 PHE A 81 1.289 -6.244 -2.054 1.00 0.00 H new ATOM 0 HD1 PHE A 81 3.507 -7.540 -1.344 1.00 0.00 H new ATOM 0 HD2 PHE A 81 3.080 -5.208 -4.880 1.00 0.00 H new ATOM 0 HE1 PHE A 81 5.945 -7.261 -1.452 1.00 0.00 H new ATOM 0 HE2 PHE A 81 5.515 -4.927 -4.994 1.00 0.00 H new ATOM 0 HZ PHE A 81 6.956 -5.946 -3.275 1.00 0.00 H new ATOM 1291 N LEU A 82 1.223 -8.839 -1.058 1.00 0.00 N ATOM 1292 CA LEU A 82 1.693 -9.699 0.018 1.00 0.00 C ATOM 1293 C LEU A 82 1.222 -11.130 -0.191 1.00 0.00 C ATOM 1294 O LEU A 82 1.990 -12.074 -0.021 1.00 0.00 O ATOM 1295 CB LEU A 82 1.215 -9.176 1.372 1.00 0.00 C ATOM 1296 CG LEU A 82 1.751 -7.796 1.757 1.00 0.00 C ATOM 1297 CD1 LEU A 82 1.093 -7.308 3.038 1.00 0.00 C ATOM 1298 CD2 LEU A 82 3.267 -7.832 1.907 1.00 0.00 C ATOM 0 H LEU A 82 0.497 -8.177 -0.784 1.00 0.00 H new ATOM 0 HA LEU A 82 2.783 -9.690 0.007 1.00 0.00 H new ATOM 0 HB2 LEU A 82 0.126 -9.137 1.366 1.00 0.00 H new ATOM 0 HB3 LEU A 82 1.504 -9.890 2.143 1.00 0.00 H new ATOM 0 HG LEU A 82 1.506 -7.095 0.959 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.486 -6.325 3.297 1.00 0.00 H new ATOM 0 HD12 LEU A 82 0.015 -7.241 2.891 1.00 0.00 H new ATOM 0 HD13 LEU A 82 1.306 -8.008 3.846 1.00 0.00 H new ATOM 0 HD21 LEU A 82 3.629 -6.841 2.181 1.00 0.00 H new ATOM 0 HD22 LEU A 82 3.539 -8.546 2.685 1.00 0.00 H new ATOM 0 HD23 LEU A 82 3.719 -8.135 0.963 1.00 0.00 H new ATOM 1310 N ALA A 83 -0.043 -11.288 -0.568 1.00 0.00 N ATOM 1311 CA ALA A 83 -0.601 -12.613 -0.805 1.00 0.00 C ATOM 1312 C ALA A 83 0.191 -13.340 -1.880 1.00 0.00 C ATOM 1313 O ALA A 83 0.605 -14.484 -1.691 1.00 0.00 O ATOM 1314 CB ALA A 83 -2.072 -12.522 -1.184 1.00 0.00 C ATOM 0 H ALA A 83 -0.697 -10.519 -0.715 1.00 0.00 H new ATOM 0 HA ALA A 83 -0.528 -13.185 0.120 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -2.466 -13.524 -1.356 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -2.627 -12.047 -0.375 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -2.178 -11.930 -2.093 1.00 0.00 H new ATOM 1320 N LYS A 84 0.420 -12.667 -3.000 1.00 0.00 N ATOM 1321 CA LYS A 84 1.190 -13.257 -4.087 1.00 0.00 C ATOM 1322 C LYS A 84 2.572 -13.648 -3.579 1.00 0.00 C ATOM 1323 O LYS A 84 3.044 -14.763 -3.805 1.00 0.00 O ATOM 1324 CB LYS A 84 1.316 -12.274 -5.250 1.00 0.00 C ATOM 1325 CG LYS A 84 0.100 -12.247 -6.160 1.00 0.00 C ATOM 1326 CD LYS A 84 0.381 -11.476 -7.438 1.00 0.00 C ATOM 1327 CE LYS A 84 1.046 -12.355 -8.484 1.00 0.00 C ATOM 1328 NZ LYS A 84 1.913 -11.567 -9.403 1.00 0.00 N ATOM 0 H LYS A 84 0.087 -11.720 -3.179 1.00 0.00 H new ATOM 0 HA LYS A 84 0.672 -14.147 -4.445 1.00 0.00 H new ATOM 0 HB2 LYS A 84 1.483 -11.273 -4.852 1.00 0.00 H new ATOM 0 HB3 LYS A 84 2.195 -12.533 -5.840 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -0.195 -13.267 -6.406 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -0.739 -11.791 -5.635 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -0.552 -11.077 -7.836 1.00 0.00 H new ATOM 0 HD3 LYS A 84 1.023 -10.624 -7.216 1.00 0.00 H new ATOM 0 HE2 LYS A 84 1.644 -13.120 -7.988 1.00 0.00 H new ATOM 0 HE3 LYS A 84 0.281 -12.873 -9.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 2.348 -12.204 -10.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 1.339 -10.853 -9.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 2.659 -11.093 -8.855 1.00 0.00 H new ATOM 1342 N TYR A 85 3.217 -12.708 -2.894 1.00 0.00 N ATOM 1343 CA TYR A 85 4.550 -12.946 -2.358 1.00 0.00 C ATOM 1344 C TYR A 85 4.546 -14.183 -1.459 1.00 0.00 C ATOM 1345 O TYR A 85 5.361 -15.087 -1.644 1.00 0.00 O ATOM 1346 CB TYR A 85 5.063 -11.725 -1.592 1.00 0.00 C ATOM 1347 CG TYR A 85 6.545 -11.488 -1.789 1.00 0.00 C ATOM 1348 CD1 TYR A 85 7.016 -10.754 -2.870 1.00 0.00 C ATOM 1349 CD2 TYR A 85 7.474 -12.008 -0.897 1.00 0.00 C ATOM 1350 CE1 TYR A 85 8.369 -10.547 -3.056 1.00 0.00 C ATOM 1351 CE2 TYR A 85 8.828 -11.804 -1.075 1.00 0.00 C ATOM 1352 CZ TYR A 85 9.270 -11.074 -2.156 1.00 0.00 C ATOM 1353 OH TYR A 85 10.619 -10.870 -2.338 1.00 0.00 O ATOM 0 H TYR A 85 2.840 -11.781 -2.699 1.00 0.00 H new ATOM 0 HA TYR A 85 5.226 -13.123 -3.194 1.00 0.00 H new ATOM 0 HB2 TYR A 85 4.512 -10.842 -1.915 1.00 0.00 H new ATOM 0 HB3 TYR A 85 4.859 -11.857 -0.529 1.00 0.00 H new ATOM 0 HD1 TYR A 85 6.313 -10.338 -3.577 1.00 0.00 H new ATOM 0 HD2 TYR A 85 7.131 -12.582 -0.049 1.00 0.00 H new ATOM 0 HE1 TYR A 85 8.719 -9.975 -3.903 1.00 0.00 H new ATOM 0 HE2 TYR A 85 9.536 -12.215 -0.371 1.00 0.00 H new ATOM 0 HH TYR A 85 11.120 -11.381 -1.668 1.00 0.00 H new ATOM 1363 N ARG A 86 3.617 -14.240 -0.502 1.00 0.00 N ATOM 1364 CA ARG A 86 3.523 -15.395 0.390 1.00 0.00 C ATOM 1365 C ARG A 86 3.390 -16.671 -0.433 1.00 0.00 C ATOM 1366 O ARG A 86 3.949 -17.711 -0.090 1.00 0.00 O ATOM 1367 CB ARG A 86 2.322 -15.246 1.328 1.00 0.00 C ATOM 1368 CG ARG A 86 2.699 -14.835 2.741 1.00 0.00 C ATOM 1369 CD ARG A 86 1.585 -14.042 3.404 1.00 0.00 C ATOM 1370 NE ARG A 86 1.993 -13.497 4.696 1.00 0.00 N ATOM 1371 CZ ARG A 86 1.263 -12.637 5.400 1.00 0.00 C ATOM 1372 NH1 ARG A 86 0.088 -12.221 4.941 1.00 0.00 N ATOM 1373 NH2 ARG A 86 1.707 -12.189 6.566 1.00 0.00 N ATOM 0 H ARG A 86 2.928 -13.509 -0.327 1.00 0.00 H new ATOM 0 HA ARG A 86 4.429 -15.451 0.993 1.00 0.00 H new ATOM 0 HB2 ARG A 86 1.638 -14.505 0.914 1.00 0.00 H new ATOM 0 HB3 ARG A 86 1.782 -16.192 1.366 1.00 0.00 H new ATOM 0 HG2 ARG A 86 2.918 -15.723 3.334 1.00 0.00 H new ATOM 0 HG3 ARG A 86 3.609 -14.236 2.717 1.00 0.00 H new ATOM 0 HD2 ARG A 86 1.280 -13.227 2.747 1.00 0.00 H new ATOM 0 HD3 ARG A 86 0.715 -14.684 3.540 1.00 0.00 H new ATOM 0 HE ARG A 86 2.890 -13.793 5.081 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -0.259 -12.561 4.044 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -0.468 -11.561 5.485 1.00 0.00 H new ATOM 0 HH21 ARG A 86 2.609 -12.504 6.923 1.00 0.00 H new ATOM 0 HH22 ARG A 86 1.147 -11.529 7.106 1.00 0.00 H new ATOM 1387 N ASP A 87 2.656 -16.561 -1.534 1.00 0.00 N ATOM 1388 CA ASP A 87 2.455 -17.688 -2.435 1.00 0.00 C ATOM 1389 C ASP A 87 3.794 -18.125 -3.019 1.00 0.00 C ATOM 1390 O ASP A 87 4.066 -19.316 -3.168 1.00 0.00 O ATOM 1391 CB ASP A 87 1.482 -17.314 -3.557 1.00 0.00 C ATOM 1392 CG ASP A 87 0.309 -18.271 -3.646 1.00 0.00 C ATOM 1393 OD1 ASP A 87 -0.704 -18.033 -2.956 1.00 0.00 O ATOM 1394 OD2 ASP A 87 0.405 -19.259 -4.405 1.00 0.00 O ATOM 0 H ASP A 87 2.190 -15.701 -1.824 1.00 0.00 H new ATOM 0 HA ASP A 87 2.024 -18.516 -1.872 1.00 0.00 H new ATOM 0 HB2 ASP A 87 1.111 -16.303 -3.391 1.00 0.00 H new ATOM 0 HB3 ASP A 87 2.014 -17.306 -4.508 1.00 0.00 H new ATOM 1399 N PHE A 88 4.625 -17.140 -3.344 1.00 0.00 N ATOM 1400 CA PHE A 88 5.947 -17.386 -3.910 1.00 0.00 C ATOM 1401 C PHE A 88 6.877 -18.029 -2.879 1.00 0.00 C ATOM 1402 O PHE A 88 7.737 -18.839 -3.217 1.00 0.00 O ATOM 1403 CB PHE A 88 6.538 -16.059 -4.407 1.00 0.00 C ATOM 1404 CG PHE A 88 8.011 -16.100 -4.715 1.00 0.00 C ATOM 1405 CD1 PHE A 88 8.949 -16.053 -3.694 1.00 0.00 C ATOM 1406 CD2 PHE A 88 8.457 -16.173 -6.024 1.00 0.00 C ATOM 1407 CE1 PHE A 88 10.302 -16.079 -3.975 1.00 0.00 C ATOM 1408 CE2 PHE A 88 9.808 -16.197 -6.311 1.00 0.00 C ATOM 1409 CZ PHE A 88 10.732 -16.150 -5.286 1.00 0.00 C ATOM 0 H PHE A 88 4.402 -16.152 -3.223 1.00 0.00 H new ATOM 0 HA PHE A 88 5.849 -18.079 -4.745 1.00 0.00 H new ATOM 0 HB2 PHE A 88 6.002 -15.752 -5.305 1.00 0.00 H new ATOM 0 HB3 PHE A 88 6.360 -15.293 -3.652 1.00 0.00 H new ATOM 0 HD1 PHE A 88 8.618 -15.995 -2.668 1.00 0.00 H new ATOM 0 HD2 PHE A 88 7.740 -16.212 -6.830 1.00 0.00 H new ATOM 0 HE1 PHE A 88 11.022 -16.044 -3.171 1.00 0.00 H new ATOM 0 HE2 PHE A 88 10.141 -16.253 -7.337 1.00 0.00 H new ATOM 0 HZ PHE A 88 11.789 -16.169 -5.509 1.00 0.00 H new ATOM 1419 N LEU A 89 6.700 -17.651 -1.619 1.00 0.00 N ATOM 1420 CA LEU A 89 7.525 -18.183 -0.540 1.00 0.00 C ATOM 1421 C LEU A 89 7.084 -19.588 -0.124 1.00 0.00 C ATOM 1422 O LEU A 89 7.898 -20.509 -0.052 1.00 0.00 O ATOM 1423 CB LEU A 89 7.486 -17.246 0.668 1.00 0.00 C ATOM 1424 CG LEU A 89 8.854 -16.786 1.171 1.00 0.00 C ATOM 1425 CD1 LEU A 89 9.683 -17.977 1.624 1.00 0.00 C ATOM 1426 CD2 LEU A 89 9.583 -16.005 0.087 1.00 0.00 C ATOM 0 H LEU A 89 5.994 -16.979 -1.319 1.00 0.00 H new ATOM 0 HA LEU A 89 8.546 -18.252 -0.914 1.00 0.00 H new ATOM 0 HB2 LEU A 89 6.896 -16.367 0.408 1.00 0.00 H new ATOM 0 HB3 LEU A 89 6.966 -17.749 1.483 1.00 0.00 H new ATOM 0 HG LEU A 89 8.705 -16.128 2.027 1.00 0.00 H new ATOM 0 HD11 LEU A 89 10.654 -17.631 1.979 1.00 0.00 H new ATOM 0 HD12 LEU A 89 9.165 -18.495 2.431 1.00 0.00 H new ATOM 0 HD13 LEU A 89 9.825 -18.661 0.787 1.00 0.00 H new ATOM 0 HD21 LEU A 89 10.555 -15.685 0.461 1.00 0.00 H new ATOM 0 HD22 LEU A 89 9.722 -16.640 -0.788 1.00 0.00 H new ATOM 0 HD23 LEU A 89 8.994 -15.130 -0.189 1.00 0.00 H new ATOM 1438 N LYS A 90 5.789 -19.744 0.127 1.00 0.00 N ATOM 1439 CA LYS A 90 5.220 -21.034 0.511 1.00 0.00 C ATOM 1440 C LYS A 90 5.167 -22.007 -0.666 1.00 0.00 C ATOM 1441 O LYS A 90 5.199 -23.223 -0.488 1.00 0.00 O ATOM 1442 CB LYS A 90 3.817 -20.847 1.087 1.00 0.00 C ATOM 1443 CG LYS A 90 2.804 -20.325 0.080 1.00 0.00 C ATOM 1444 CD LYS A 90 1.739 -19.473 0.753 1.00 0.00 C ATOM 1445 CE LYS A 90 0.903 -20.290 1.727 1.00 0.00 C ATOM 1446 NZ LYS A 90 0.188 -21.405 1.045 1.00 0.00 N ATOM 0 H LYS A 90 5.107 -18.987 0.071 1.00 0.00 H new ATOM 0 HA LYS A 90 5.873 -21.461 1.272 1.00 0.00 H new ATOM 0 HB2 LYS A 90 3.466 -21.801 1.480 1.00 0.00 H new ATOM 0 HB3 LYS A 90 3.869 -20.155 1.928 1.00 0.00 H new ATOM 0 HG2 LYS A 90 3.316 -19.736 -0.681 1.00 0.00 H new ATOM 0 HG3 LYS A 90 2.331 -21.164 -0.431 1.00 0.00 H new ATOM 0 HD2 LYS A 90 2.214 -18.647 1.283 1.00 0.00 H new ATOM 0 HD3 LYS A 90 1.090 -19.034 -0.005 1.00 0.00 H new ATOM 0 HE2 LYS A 90 1.547 -20.695 2.507 1.00 0.00 H new ATOM 0 HE3 LYS A 90 0.178 -19.640 2.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -0.544 -21.787 1.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -0.257 -21.051 0.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 0.865 -22.157 0.806 1.00 0.00 H new ATOM 1460 N SER A 91 5.052 -21.448 -1.865 1.00 0.00 N ATOM 1461 CA SER A 91 4.953 -22.252 -3.082 1.00 0.00 C ATOM 1462 C SER A 91 6.120 -22.015 -4.035 1.00 0.00 C ATOM 1463 O SER A 91 6.837 -22.952 -4.387 1.00 0.00 O ATOM 1464 CB SER A 91 3.634 -21.957 -3.798 1.00 0.00 C ATOM 1465 OG SER A 91 3.049 -23.145 -4.303 1.00 0.00 O ATOM 0 H SER A 91 5.025 -20.441 -2.023 1.00 0.00 H new ATOM 0 HA SER A 91 4.987 -23.298 -2.779 1.00 0.00 H new ATOM 0 HB2 SER A 91 2.943 -21.473 -3.108 1.00 0.00 H new ATOM 0 HB3 SER A 91 3.809 -21.258 -4.616 1.00 0.00 H new ATOM 0 HG SER A 91 2.206 -22.929 -4.754 1.00 0.00 H new