USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 575 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 64 SER OG : rot 180:sc=-0.00263 USER MOD Set 1.2: A 65 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 39 HIS : no HD1:sc= -5.11! C(o=-5.3!,f=-6.7!) USER MOD Set 2.2: A 63 HIS : no HE2:sc= -0.229 K(o=-5.3,f=-8.6!) USER MOD Set 3.1: A 15 HIS : no HD1:sc= 1.07 K(o=2.4,f=-4.6!) USER MOD Set 3.2: A 20 SER OG : rot -87:sc= 1.36 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.15 USER MOD Single : A 13 GLN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot -100:sc= -0.431 USER MOD Single : A 26 HIS : no HE2:sc= -1.85 K(o=-1.9,f=-5.3!) USER MOD Single : A 27 HIS : no HD1:sc= -0.0786 X(o=-0.079,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 21:sc= 0.014 USER MOD Single : A 33 THR OG1 : rot 77:sc= 0.902 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -1.78 K(o=-1.8,f=-8.5!) USER MOD Single : A 55 THR OG1 : rot 12:sc= 1.18 USER MOD Single : A 57 ASN : amide:sc= -0.183 X(o=-0.18,f=-0.0032) USER MOD Single : A 71 SER OG : rot -84:sc= 0.35 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot -148:sc= 1.33 USER MOD Single : A 80 HIS : no HD1:sc= -1.37 X(o=-1.4,f=-1.8) USER MOD ----------------------------------------------------------------- ATOM 65 N LYS A 5 0.228 -8.452 -11.402 1.00 0.00 N ATOM 66 CA LYS A 5 1.140 -8.846 -10.344 1.00 0.00 C ATOM 67 C LYS A 5 0.301 -9.293 -9.141 1.00 0.00 C ATOM 68 O LYS A 5 0.208 -8.624 -8.117 1.00 0.00 O ATOM 69 CB LYS A 5 2.151 -7.718 -10.105 1.00 0.00 C ATOM 70 CG LYS A 5 3.507 -7.926 -10.797 1.00 0.00 C ATOM 71 CD LYS A 5 3.970 -6.594 -11.395 1.00 0.00 C ATOM 72 CE LYS A 5 5.279 -6.724 -12.180 1.00 0.00 C ATOM 73 NZ LYS A 5 6.429 -6.185 -11.427 1.00 0.00 N ATOM 0 HA LYS A 5 1.760 -9.706 -10.598 1.00 0.00 H new ATOM 0 HB2 LYS A 5 1.719 -6.779 -10.453 1.00 0.00 H new ATOM 0 HB3 LYS A 5 2.316 -7.615 -9.032 1.00 0.00 H new ATOM 0 HG2 LYS A 5 4.243 -8.294 -10.082 1.00 0.00 H new ATOM 0 HG3 LYS A 5 3.419 -8.680 -11.579 1.00 0.00 H new ATOM 0 HD2 LYS A 5 3.193 -6.206 -12.053 1.00 0.00 H new ATOM 0 HD3 LYS A 5 4.102 -5.867 -10.594 1.00 0.00 H new ATOM 0 HE2 LYS A 5 5.459 -7.773 -12.415 1.00 0.00 H new ATOM 0 HE3 LYS A 5 5.187 -6.196 -13.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 7.295 -6.292 -11.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 6.270 -5.177 -11.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 6.533 -6.706 -10.533 1.00 0.00 H new ATOM 87 N TYR A 6 -0.366 -10.435 -9.296 1.00 0.00 N ATOM 88 CA TYR A 6 -1.135 -11.047 -8.227 1.00 0.00 C ATOM 89 C TYR A 6 -0.194 -11.498 -7.105 1.00 0.00 C ATOM 90 O TYR A 6 0.630 -12.381 -7.325 1.00 0.00 O ATOM 91 CB TYR A 6 -1.929 -12.230 -8.793 1.00 0.00 C ATOM 92 CG TYR A 6 -3.166 -11.833 -9.570 1.00 0.00 C ATOM 93 CD1 TYR A 6 -4.250 -11.274 -8.878 1.00 0.00 C ATOM 94 CD2 TYR A 6 -3.282 -12.101 -10.946 1.00 0.00 C ATOM 95 CE1 TYR A 6 -5.451 -10.990 -9.543 1.00 0.00 C ATOM 96 CE2 TYR A 6 -4.477 -11.787 -11.622 1.00 0.00 C ATOM 97 CZ TYR A 6 -5.543 -11.191 -10.928 1.00 0.00 C ATOM 98 OH TYR A 6 -6.683 -10.837 -11.580 1.00 0.00 O ATOM 0 H TYR A 6 -0.385 -10.959 -10.171 1.00 0.00 H new ATOM 0 HA TYR A 6 -1.836 -10.325 -7.809 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -1.277 -12.813 -9.443 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -2.224 -12.882 -7.971 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -4.159 -11.060 -7.823 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -2.457 -12.546 -11.482 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -6.302 -10.618 -8.991 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -4.574 -12.005 -12.675 1.00 0.00 H new ATOM 0 HH TYR A 6 -6.590 -11.038 -12.535 1.00 0.00 H new ATOM 108 N TYR A 7 -0.316 -10.900 -5.916 1.00 0.00 N ATOM 109 CA TYR A 7 0.500 -11.206 -4.747 1.00 0.00 C ATOM 110 C TYR A 7 -0.365 -11.827 -3.659 1.00 0.00 C ATOM 111 O TYR A 7 -1.482 -11.371 -3.432 1.00 0.00 O ATOM 112 CB TYR A 7 1.129 -9.914 -4.227 1.00 0.00 C ATOM 113 CG TYR A 7 2.157 -9.321 -5.156 1.00 0.00 C ATOM 114 CD1 TYR A 7 3.387 -9.978 -5.333 1.00 0.00 C ATOM 115 CD2 TYR A 7 1.922 -8.084 -5.782 1.00 0.00 C ATOM 116 CE1 TYR A 7 4.368 -9.419 -6.167 1.00 0.00 C ATOM 117 CE2 TYR A 7 2.914 -7.518 -6.596 1.00 0.00 C ATOM 118 CZ TYR A 7 4.132 -8.185 -6.796 1.00 0.00 C ATOM 119 OH TYR A 7 5.109 -7.604 -7.550 1.00 0.00 O ATOM 0 H TYR A 7 -1.006 -10.170 -5.740 1.00 0.00 H new ATOM 0 HA TYR A 7 1.282 -11.913 -5.024 1.00 0.00 H new ATOM 0 HB2 TYR A 7 0.341 -9.180 -4.056 1.00 0.00 H new ATOM 0 HB3 TYR A 7 1.596 -10.111 -3.262 1.00 0.00 H new ATOM 0 HD1 TYR A 7 3.577 -10.913 -4.827 1.00 0.00 H new ATOM 0 HD2 TYR A 7 0.982 -7.572 -5.637 1.00 0.00 H new ATOM 0 HE1 TYR A 7 5.303 -9.937 -6.325 1.00 0.00 H new ATOM 0 HE2 TYR A 7 2.739 -6.564 -7.071 1.00 0.00 H new ATOM 0 HH TYR A 7 4.780 -6.755 -7.914 1.00 0.00 H new ATOM 129 N THR A 8 0.133 -12.867 -2.987 1.00 0.00 N ATOM 130 CA THR A 8 -0.596 -13.540 -1.925 1.00 0.00 C ATOM 131 C THR A 8 -0.459 -12.783 -0.607 1.00 0.00 C ATOM 132 O THR A 8 0.467 -11.988 -0.431 1.00 0.00 O ATOM 133 CB THR A 8 -0.077 -14.977 -1.792 1.00 0.00 C ATOM 134 OG1 THR A 8 1.287 -14.944 -1.429 1.00 0.00 O ATOM 135 CG2 THR A 8 -0.220 -15.738 -3.113 1.00 0.00 C ATOM 0 H THR A 8 1.055 -13.262 -3.169 1.00 0.00 H new ATOM 0 HA THR A 8 -1.657 -13.565 -2.176 1.00 0.00 H new ATOM 0 HB THR A 8 -0.665 -15.487 -1.030 1.00 0.00 H new ATOM 0 HG1 THR A 8 1.624 -15.860 -1.341 1.00 0.00 H new ATOM 0 HG21 THR A 8 0.156 -16.754 -2.990 1.00 0.00 H new ATOM 0 HG22 THR A 8 -1.271 -15.772 -3.401 1.00 0.00 H new ATOM 0 HG23 THR A 8 0.353 -15.231 -3.889 1.00 0.00 H new ATOM 143 N LEU A 9 -1.388 -13.048 0.321 1.00 0.00 N ATOM 144 CA LEU A 9 -1.447 -12.383 1.607 1.00 0.00 C ATOM 145 C LEU A 9 -0.090 -12.507 2.272 1.00 0.00 C ATOM 146 O LEU A 9 0.552 -11.486 2.470 1.00 0.00 O ATOM 147 CB LEU A 9 -2.538 -12.980 2.503 1.00 0.00 C ATOM 148 CG LEU A 9 -3.961 -12.504 2.191 1.00 0.00 C ATOM 149 CD1 LEU A 9 -4.171 -11.002 2.445 1.00 0.00 C ATOM 150 CD2 LEU A 9 -4.372 -12.872 0.768 1.00 0.00 C ATOM 0 H LEU A 9 -2.124 -13.741 0.187 1.00 0.00 H new ATOM 0 HA LEU A 9 -1.700 -11.334 1.454 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -2.506 -14.066 2.415 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -2.309 -12.738 3.541 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.610 -13.031 2.890 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -5.199 -10.732 2.204 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -3.974 -10.779 3.494 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -3.489 -10.428 1.818 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -5.386 -12.520 0.580 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -3.688 -12.405 0.059 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -4.336 -13.955 0.647 1.00 0.00 H new ATOM 162 N GLU A 10 0.358 -13.735 2.566 1.00 0.00 N ATOM 163 CA GLU A 10 1.667 -13.977 3.154 1.00 0.00 C ATOM 164 C GLU A 10 2.751 -13.136 2.493 1.00 0.00 C ATOM 165 O GLU A 10 3.484 -12.457 3.203 1.00 0.00 O ATOM 166 CB GLU A 10 2.068 -15.458 3.072 1.00 0.00 C ATOM 167 CG GLU A 10 1.774 -16.223 4.368 1.00 0.00 C ATOM 168 CD GLU A 10 0.468 -16.990 4.261 1.00 0.00 C ATOM 169 OE1 GLU A 10 0.542 -18.132 3.763 1.00 0.00 O ATOM 170 OE2 GLU A 10 -0.566 -16.409 4.650 1.00 0.00 O ATOM 0 H GLU A 10 -0.183 -14.584 2.400 1.00 0.00 H new ATOM 0 HA GLU A 10 1.581 -13.689 4.202 1.00 0.00 H new ATOM 0 HB2 GLU A 10 1.534 -15.930 2.247 1.00 0.00 H new ATOM 0 HB3 GLU A 10 3.132 -15.530 2.846 1.00 0.00 H new ATOM 0 HG2 GLU A 10 2.590 -16.914 4.580 1.00 0.00 H new ATOM 0 HG3 GLU A 10 1.723 -15.525 5.203 1.00 0.00 H new ATOM 177 N GLU A 11 2.875 -13.200 1.163 1.00 0.00 N ATOM 178 CA GLU A 11 3.893 -12.448 0.443 1.00 0.00 C ATOM 179 C GLU A 11 3.836 -10.982 0.871 1.00 0.00 C ATOM 180 O GLU A 11 4.796 -10.435 1.404 1.00 0.00 O ATOM 181 CB GLU A 11 3.693 -12.613 -1.070 1.00 0.00 C ATOM 182 CG GLU A 11 4.987 -12.355 -1.858 1.00 0.00 C ATOM 183 CD GLU A 11 5.435 -13.611 -2.595 1.00 0.00 C ATOM 184 OE1 GLU A 11 5.716 -14.605 -1.892 1.00 0.00 O ATOM 185 OE2 GLU A 11 5.460 -13.558 -3.843 1.00 0.00 O ATOM 0 H GLU A 11 2.276 -13.770 0.566 1.00 0.00 H new ATOM 0 HA GLU A 11 4.884 -12.832 0.684 1.00 0.00 H new ATOM 0 HB2 GLU A 11 3.337 -13.622 -1.280 1.00 0.00 H new ATOM 0 HB3 GLU A 11 2.919 -11.925 -1.410 1.00 0.00 H new ATOM 0 HG2 GLU A 11 4.828 -11.547 -2.572 1.00 0.00 H new ATOM 0 HG3 GLU A 11 5.773 -12.028 -1.177 1.00 0.00 H new ATOM 192 N ILE A 12 2.672 -10.355 0.721 1.00 0.00 N ATOM 193 CA ILE A 12 2.491 -8.958 1.085 1.00 0.00 C ATOM 194 C ILE A 12 2.794 -8.748 2.578 1.00 0.00 C ATOM 195 O ILE A 12 3.462 -7.791 2.965 1.00 0.00 O ATOM 196 CB ILE A 12 1.071 -8.523 0.697 1.00 0.00 C ATOM 197 CG1 ILE A 12 0.803 -8.749 -0.803 1.00 0.00 C ATOM 198 CG2 ILE A 12 0.874 -7.042 1.040 1.00 0.00 C ATOM 199 CD1 ILE A 12 -0.685 -8.974 -1.060 1.00 0.00 C ATOM 0 H ILE A 12 1.834 -10.800 0.346 1.00 0.00 H new ATOM 0 HA ILE A 12 3.194 -8.329 0.540 1.00 0.00 H new ATOM 0 HB ILE A 12 0.364 -9.131 1.261 1.00 0.00 H new ATOM 0 HG12 ILE A 12 1.149 -7.886 -1.373 1.00 0.00 H new ATOM 0 HG13 ILE A 12 1.371 -9.611 -1.153 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.135 -6.736 0.764 1.00 0.00 H new ATOM 0 HG22 ILE A 12 1.018 -6.894 2.110 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.599 -6.442 0.490 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.850 -9.131 -2.126 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.021 -9.851 -0.507 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.247 -8.100 -0.731 1.00 0.00 H new ATOM 211 N GLN A 13 2.353 -9.684 3.416 1.00 0.00 N ATOM 212 CA GLN A 13 2.558 -9.696 4.856 1.00 0.00 C ATOM 213 C GLN A 13 4.030 -9.931 5.214 1.00 0.00 C ATOM 214 O GLN A 13 4.419 -9.708 6.359 1.00 0.00 O ATOM 215 CB GLN A 13 1.629 -10.744 5.504 1.00 0.00 C ATOM 216 CG GLN A 13 0.883 -10.157 6.706 1.00 0.00 C ATOM 217 CD GLN A 13 -0.200 -11.088 7.249 1.00 0.00 C ATOM 218 OE1 GLN A 13 -0.696 -11.973 6.561 1.00 0.00 O ATOM 219 NE2 GLN A 13 -0.596 -10.886 8.502 1.00 0.00 N ATOM 0 H GLN A 13 1.819 -10.490 3.091 1.00 0.00 H new ATOM 0 HA GLN A 13 2.300 -8.716 5.256 1.00 0.00 H new ATOM 0 HB2 GLN A 13 0.911 -11.102 4.767 1.00 0.00 H new ATOM 0 HB3 GLN A 13 2.215 -11.606 5.822 1.00 0.00 H new ATOM 0 HG2 GLN A 13 1.598 -9.939 7.499 1.00 0.00 H new ATOM 0 HG3 GLN A 13 0.428 -9.209 6.417 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -0.171 -10.144 9.058 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -1.325 -11.473 8.907 1.00 0.00 H new ATOM 228 N LYS A 14 4.846 -10.359 4.244 1.00 0.00 N ATOM 229 CA LYS A 14 6.281 -10.524 4.375 1.00 0.00 C ATOM 230 C LYS A 14 7.000 -9.216 4.030 1.00 0.00 C ATOM 231 O LYS A 14 8.170 -9.065 4.372 1.00 0.00 O ATOM 232 CB LYS A 14 6.769 -11.687 3.483 1.00 0.00 C ATOM 233 CG LYS A 14 7.430 -12.818 4.283 1.00 0.00 C ATOM 234 CD LYS A 14 6.446 -13.932 4.690 1.00 0.00 C ATOM 235 CE LYS A 14 6.823 -15.251 3.992 1.00 0.00 C ATOM 236 NZ LYS A 14 6.071 -16.410 4.518 1.00 0.00 N ATOM 0 H LYS A 14 4.503 -10.607 3.316 1.00 0.00 H new ATOM 0 HA LYS A 14 6.518 -10.773 5.410 1.00 0.00 H new ATOM 0 HB2 LYS A 14 5.923 -12.090 2.925 1.00 0.00 H new ATOM 0 HB3 LYS A 14 7.480 -11.303 2.751 1.00 0.00 H new ATOM 0 HG2 LYS A 14 8.234 -13.252 3.689 1.00 0.00 H new ATOM 0 HG3 LYS A 14 7.887 -12.400 5.180 1.00 0.00 H new ATOM 0 HD2 LYS A 14 6.463 -14.066 5.772 1.00 0.00 H new ATOM 0 HD3 LYS A 14 5.429 -13.646 4.420 1.00 0.00 H new ATOM 0 HE2 LYS A 14 6.637 -15.157 2.922 1.00 0.00 H new ATOM 0 HE3 LYS A 14 7.891 -15.430 4.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 6.363 -17.271 4.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 6.268 -16.520 5.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 5.052 -16.256 4.378 1.00 0.00 H new ATOM 250 N HIS A 15 6.323 -8.266 3.372 1.00 0.00 N ATOM 251 CA HIS A 15 6.880 -6.969 3.034 1.00 0.00 C ATOM 252 C HIS A 15 6.263 -5.908 3.945 1.00 0.00 C ATOM 253 O HIS A 15 5.435 -5.103 3.513 1.00 0.00 O ATOM 254 CB HIS A 15 6.654 -6.676 1.546 1.00 0.00 C ATOM 255 CG HIS A 15 7.600 -7.415 0.629 1.00 0.00 C ATOM 256 ND1 HIS A 15 8.745 -6.905 0.056 1.00 0.00 N ATOM 257 CD2 HIS A 15 7.499 -8.723 0.241 1.00 0.00 C ATOM 258 CE1 HIS A 15 9.303 -7.884 -0.676 1.00 0.00 C ATOM 259 NE2 HIS A 15 8.586 -9.013 -0.589 1.00 0.00 N ATOM 0 H HIS A 15 5.360 -8.388 3.059 1.00 0.00 H new ATOM 0 HA HIS A 15 7.958 -6.959 3.197 1.00 0.00 H new ATOM 0 HB2 HIS A 15 5.629 -6.940 1.285 1.00 0.00 H new ATOM 0 HB3 HIS A 15 6.761 -5.605 1.376 1.00 0.00 H new ATOM 0 HD2 HIS A 15 6.717 -9.411 0.526 1.00 0.00 H new ATOM 0 HE1 HIS A 15 10.207 -7.776 -1.256 1.00 0.00 H new ATOM 0 HE2 HIS A 15 8.792 -9.905 -1.038 1.00 0.00 H new ATOM 267 N LYS A 16 6.697 -5.905 5.212 1.00 0.00 N ATOM 268 CA LYS A 16 6.288 -4.913 6.200 1.00 0.00 C ATOM 269 C LYS A 16 7.239 -4.912 7.405 1.00 0.00 C ATOM 270 O LYS A 16 6.811 -5.124 8.537 1.00 0.00 O ATOM 271 CB LYS A 16 4.822 -5.147 6.593 1.00 0.00 C ATOM 272 CG LYS A 16 4.582 -6.510 7.265 1.00 0.00 C ATOM 273 CD LYS A 16 3.958 -6.278 8.647 1.00 0.00 C ATOM 274 CE LYS A 16 3.950 -7.563 9.481 1.00 0.00 C ATOM 275 NZ LYS A 16 3.913 -7.253 10.925 1.00 0.00 N ATOM 0 H LYS A 16 7.348 -6.600 5.578 1.00 0.00 H new ATOM 0 HA LYS A 16 6.354 -3.916 5.764 1.00 0.00 H new ATOM 0 HB2 LYS A 16 4.504 -4.355 7.271 1.00 0.00 H new ATOM 0 HB3 LYS A 16 4.198 -5.074 5.702 1.00 0.00 H new ATOM 0 HG2 LYS A 16 3.922 -7.122 6.651 1.00 0.00 H new ATOM 0 HG3 LYS A 16 5.522 -7.054 7.362 1.00 0.00 H new ATOM 0 HD2 LYS A 16 4.516 -5.504 9.174 1.00 0.00 H new ATOM 0 HD3 LYS A 16 2.938 -5.912 8.530 1.00 0.00 H new ATOM 0 HE2 LYS A 16 3.085 -8.170 9.213 1.00 0.00 H new ATOM 0 HE3 LYS A 16 4.837 -8.154 9.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 3.908 -8.139 11.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 4.751 -6.693 11.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 3.054 -6.709 11.141 1.00 0.00 H new ATOM 334 N SER A 20 10.478 -2.292 2.749 1.00 0.00 N ATOM 335 CA SER A 20 9.447 -3.131 2.173 1.00 0.00 C ATOM 336 C SER A 20 8.159 -2.728 2.881 1.00 0.00 C ATOM 337 O SER A 20 7.784 -3.389 3.844 1.00 0.00 O ATOM 338 CB SER A 20 9.763 -4.617 2.398 1.00 0.00 C ATOM 339 OG SER A 20 10.480 -5.181 1.317 1.00 0.00 O ATOM 0 HA SER A 20 9.370 -2.998 1.094 1.00 0.00 H new ATOM 0 HB2 SER A 20 10.343 -4.729 3.314 1.00 0.00 H new ATOM 0 HB3 SER A 20 8.833 -5.167 2.541 1.00 0.00 H new ATOM 0 HG SER A 20 9.850 -5.500 0.637 1.00 0.00 H new ATOM 345 N THR A 21 7.530 -1.623 2.469 1.00 0.00 N ATOM 346 CA THR A 21 6.243 -1.197 2.997 1.00 0.00 C ATOM 347 C THR A 21 5.219 -1.304 1.882 1.00 0.00 C ATOM 348 O THR A 21 5.187 -0.482 0.968 1.00 0.00 O ATOM 349 CB THR A 21 6.349 0.204 3.613 1.00 0.00 C ATOM 350 OG1 THR A 21 6.762 0.030 4.948 1.00 0.00 O ATOM 351 CG2 THR A 21 5.036 0.995 3.594 1.00 0.00 C ATOM 0 H THR A 21 7.907 -0.999 1.755 1.00 0.00 H new ATOM 0 HA THR A 21 5.916 -1.842 3.813 1.00 0.00 H new ATOM 0 HB THR A 21 7.054 0.784 3.018 1.00 0.00 H new ATOM 0 HG1 THR A 21 5.986 0.101 5.542 1.00 0.00 H new ATOM 0 HG21 THR A 21 5.194 1.974 4.047 1.00 0.00 H new ATOM 0 HG22 THR A 21 4.702 1.121 2.564 1.00 0.00 H new ATOM 0 HG23 THR A 21 4.277 0.453 4.158 1.00 0.00 H new ATOM 359 N TRP A 22 4.417 -2.365 1.951 1.00 0.00 N ATOM 360 CA TRP A 22 3.347 -2.637 1.015 1.00 0.00 C ATOM 361 C TRP A 22 2.023 -2.408 1.727 1.00 0.00 C ATOM 362 O TRP A 22 1.962 -2.496 2.948 1.00 0.00 O ATOM 363 CB TRP A 22 3.466 -4.079 0.547 1.00 0.00 C ATOM 364 CG TRP A 22 4.620 -4.389 -0.360 1.00 0.00 C ATOM 365 CD1 TRP A 22 5.790 -3.715 -0.490 1.00 0.00 C ATOM 366 CD2 TRP A 22 4.668 -5.432 -1.367 1.00 0.00 C ATOM 367 NE1 TRP A 22 6.529 -4.260 -1.513 1.00 0.00 N ATOM 368 CE2 TRP A 22 5.883 -5.320 -2.097 1.00 0.00 C ATOM 369 CE3 TRP A 22 3.767 -6.428 -1.771 1.00 0.00 C ATOM 370 CZ2 TRP A 22 6.184 -6.146 -3.184 1.00 0.00 C ATOM 371 CZ3 TRP A 22 4.056 -7.275 -2.854 1.00 0.00 C ATOM 372 CH2 TRP A 22 5.266 -7.138 -3.557 1.00 0.00 C ATOM 0 H TRP A 22 4.502 -3.072 2.681 1.00 0.00 H new ATOM 0 HA TRP A 22 3.404 -1.981 0.146 1.00 0.00 H new ATOM 0 HB2 TRP A 22 3.540 -4.719 1.426 1.00 0.00 H new ATOM 0 HB3 TRP A 22 2.544 -4.349 0.032 1.00 0.00 H new ATOM 0 HD1 TRP A 22 6.095 -2.877 0.119 1.00 0.00 H new ATOM 0 HE1 TRP A 22 7.445 -3.918 -1.802 1.00 0.00 H new ATOM 0 HE3 TRP A 22 2.834 -6.546 -1.240 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 7.109 -6.022 -3.728 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 3.346 -8.034 -3.148 1.00 0.00 H new ATOM 0 HH2 TRP A 22 5.488 -7.796 -4.384 1.00 0.00 H new ATOM 383 N VAL A 23 0.964 -2.123 0.979 1.00 0.00 N ATOM 384 CA VAL A 23 -0.359 -1.823 1.510 1.00 0.00 C ATOM 385 C VAL A 23 -1.362 -2.074 0.403 1.00 0.00 C ATOM 386 O VAL A 23 -0.984 -2.053 -0.767 1.00 0.00 O ATOM 387 CB VAL A 23 -0.474 -0.364 1.985 1.00 0.00 C ATOM 388 CG1 VAL A 23 0.022 -0.158 3.412 1.00 0.00 C ATOM 389 CG2 VAL A 23 0.241 0.622 1.061 1.00 0.00 C ATOM 0 H VAL A 23 1.003 -2.094 -0.040 1.00 0.00 H new ATOM 0 HA VAL A 23 -0.548 -2.458 2.376 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.544 -0.157 1.957 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -0.086 0.891 3.687 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -0.565 -0.774 4.094 1.00 0.00 H new ATOM 0 HG13 VAL A 23 1.072 -0.444 3.477 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.124 1.634 1.449 1.00 0.00 H new ATOM 0 HG22 VAL A 23 1.301 0.372 1.012 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -0.192 0.564 0.062 1.00 0.00 H new ATOM 399 N ILE A 24 -2.622 -2.320 0.773 1.00 0.00 N ATOM 400 CA ILE A 24 -3.686 -2.646 -0.162 1.00 0.00 C ATOM 401 C ILE A 24 -4.759 -1.578 -0.013 1.00 0.00 C ATOM 402 O ILE A 24 -5.418 -1.515 1.028 1.00 0.00 O ATOM 403 CB ILE A 24 -4.245 -4.074 0.032 1.00 0.00 C ATOM 404 CG1 ILE A 24 -3.434 -4.897 1.032 1.00 0.00 C ATOM 405 CG2 ILE A 24 -4.383 -4.860 -1.281 1.00 0.00 C ATOM 406 CD1 ILE A 24 -2.008 -5.218 0.577 1.00 0.00 C ATOM 0 H ILE A 24 -2.929 -2.296 1.745 1.00 0.00 H new ATOM 0 HA ILE A 24 -3.293 -2.649 -1.179 1.00 0.00 H new ATOM 0 HB ILE A 24 -5.244 -3.917 0.438 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -3.388 -4.356 1.977 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -3.960 -5.832 1.226 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -4.781 -5.853 -1.071 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -5.061 -4.332 -1.952 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.405 -4.953 -1.754 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -1.504 -5.804 1.346 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -2.042 -5.789 -0.351 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -1.461 -4.290 0.412 1.00 0.00 H new ATOM 418 N LEU A 25 -4.844 -0.689 -1.008 1.00 0.00 N ATOM 419 CA LEU A 25 -5.758 0.447 -1.019 1.00 0.00 C ATOM 420 C LEU A 25 -6.829 0.181 -2.076 1.00 0.00 C ATOM 421 O LEU A 25 -6.672 0.561 -3.239 1.00 0.00 O ATOM 422 CB LEU A 25 -5.024 1.781 -1.258 1.00 0.00 C ATOM 423 CG LEU A 25 -3.762 2.042 -0.417 1.00 0.00 C ATOM 424 CD1 LEU A 25 -3.560 3.550 -0.272 1.00 0.00 C ATOM 425 CD2 LEU A 25 -3.781 1.430 0.980 1.00 0.00 C ATOM 0 H LEU A 25 -4.264 -0.745 -1.845 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.227 0.549 -0.040 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.746 1.831 -2.311 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.728 2.593 -1.075 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.948 1.559 -0.957 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.667 3.742 0.323 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.442 3.998 -1.259 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.427 3.987 0.223 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.850 1.668 1.494 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.621 1.836 1.544 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.886 0.348 0.902 1.00 0.00 H new ATOM 437 N HIS A 26 -7.900 -0.505 -1.667 1.00 0.00 N ATOM 438 CA HIS A 26 -9.004 -0.913 -2.535 1.00 0.00 C ATOM 439 C HIS A 26 -8.518 -1.928 -3.569 1.00 0.00 C ATOM 440 O HIS A 26 -8.392 -1.610 -4.751 1.00 0.00 O ATOM 441 CB HIS A 26 -9.705 0.270 -3.225 1.00 0.00 C ATOM 442 CG HIS A 26 -10.213 1.307 -2.274 1.00 0.00 C ATOM 443 ND1 HIS A 26 -11.442 1.329 -1.649 1.00 0.00 N ATOM 444 CD2 HIS A 26 -9.484 2.362 -1.810 1.00 0.00 C ATOM 445 CE1 HIS A 26 -11.447 2.383 -0.817 1.00 0.00 C ATOM 446 NE2 HIS A 26 -10.271 3.020 -0.871 1.00 0.00 N ATOM 0 H HIS A 26 -8.025 -0.799 -0.698 1.00 0.00 H new ATOM 0 HA HIS A 26 -9.751 -1.378 -1.892 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -9.008 0.738 -3.920 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -10.539 -0.108 -3.816 1.00 0.00 H new ATOM 0 HD1 HIS A 26 -12.205 0.668 -1.792 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -8.484 2.635 -2.114 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -12.280 2.675 -0.194 1.00 0.00 H new ATOM 454 N HIS A 27 -8.286 -3.162 -3.112 1.00 0.00 N ATOM 455 CA HIS A 27 -7.957 -4.310 -3.954 1.00 0.00 C ATOM 456 C HIS A 27 -6.860 -3.981 -4.967 1.00 0.00 C ATOM 457 O HIS A 27 -7.097 -4.023 -6.172 1.00 0.00 O ATOM 458 CB HIS A 27 -9.209 -4.828 -4.678 1.00 0.00 C ATOM 459 CG HIS A 27 -10.376 -5.137 -3.780 1.00 0.00 C ATOM 460 ND1 HIS A 27 -10.826 -6.391 -3.434 1.00 0.00 N ATOM 461 CD2 HIS A 27 -11.250 -4.222 -3.255 1.00 0.00 C ATOM 462 CE1 HIS A 27 -11.946 -6.229 -2.709 1.00 0.00 C ATOM 463 NE2 HIS A 27 -12.245 -4.927 -2.577 1.00 0.00 N ATOM 0 H HIS A 27 -8.323 -3.394 -2.119 1.00 0.00 H new ATOM 0 HA HIS A 27 -7.577 -5.092 -3.297 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -9.520 -4.085 -5.412 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -8.945 -5.730 -5.230 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -11.181 -3.148 -3.349 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -12.527 -7.037 -2.289 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -13.042 -4.531 -2.079 1.00 0.00 H new ATOM 471 N LYS A 28 -5.662 -3.667 -4.476 1.00 0.00 N ATOM 472 CA LYS A 28 -4.512 -3.282 -5.282 1.00 0.00 C ATOM 473 C LYS A 28 -3.351 -3.102 -4.329 1.00 0.00 C ATOM 474 O LYS A 28 -3.463 -2.315 -3.399 1.00 0.00 O ATOM 475 CB LYS A 28 -4.780 -1.982 -6.051 1.00 0.00 C ATOM 476 CG LYS A 28 -5.147 -2.276 -7.515 1.00 0.00 C ATOM 477 CD LYS A 28 -6.400 -1.514 -7.954 1.00 0.00 C ATOM 478 CE LYS A 28 -6.026 -0.166 -8.575 1.00 0.00 C ATOM 479 NZ LYS A 28 -7.214 0.692 -8.749 1.00 0.00 N ATOM 0 H LYS A 28 -5.462 -3.675 -3.476 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.297 -4.048 -6.027 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.590 -1.432 -5.572 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -3.897 -1.344 -6.014 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -4.312 -2.004 -8.160 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -5.311 -3.346 -7.640 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -6.959 -2.109 -8.676 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -7.054 -1.356 -7.097 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -5.299 0.340 -7.940 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -5.547 -0.328 -9.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -6.929 1.598 -9.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -7.896 0.218 -9.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -7.655 0.865 -7.823 1.00 0.00 H new ATOM 493 N VAL A 29 -2.278 -3.864 -4.513 1.00 0.00 N ATOM 494 CA VAL A 29 -1.113 -3.801 -3.658 1.00 0.00 C ATOM 495 C VAL A 29 -0.247 -2.663 -4.203 1.00 0.00 C ATOM 496 O VAL A 29 0.060 -2.631 -5.399 1.00 0.00 O ATOM 497 CB VAL A 29 -0.400 -5.161 -3.669 1.00 0.00 C ATOM 498 CG1 VAL A 29 0.864 -5.148 -2.796 1.00 0.00 C ATOM 499 CG2 VAL A 29 -1.333 -6.296 -3.203 1.00 0.00 C ATOM 0 H VAL A 29 -2.198 -4.546 -5.267 1.00 0.00 H new ATOM 0 HA VAL A 29 -1.359 -3.598 -2.616 1.00 0.00 H new ATOM 0 HB VAL A 29 -0.109 -5.347 -4.703 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.340 -6.128 -2.830 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.557 -4.395 -3.171 1.00 0.00 H new ATOM 0 HG13 VAL A 29 0.593 -4.912 -1.767 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.793 -7.243 -3.224 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.672 -6.094 -2.187 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.195 -6.355 -3.868 1.00 0.00 H new ATOM 509 N TYR A 30 0.101 -1.718 -3.329 1.00 0.00 N ATOM 510 CA TYR A 30 0.925 -0.557 -3.625 1.00 0.00 C ATOM 511 C TYR A 30 2.257 -0.721 -2.902 1.00 0.00 C ATOM 512 O TYR A 30 2.267 -0.834 -1.676 1.00 0.00 O ATOM 513 CB TYR A 30 0.205 0.705 -3.141 1.00 0.00 C ATOM 514 CG TYR A 30 -1.136 0.936 -3.800 1.00 0.00 C ATOM 515 CD1 TYR A 30 -2.291 0.357 -3.260 1.00 0.00 C ATOM 516 CD2 TYR A 30 -1.220 1.650 -5.006 1.00 0.00 C ATOM 517 CE1 TYR A 30 -3.514 0.480 -3.935 1.00 0.00 C ATOM 518 CE2 TYR A 30 -2.460 1.806 -5.656 1.00 0.00 C ATOM 519 CZ TYR A 30 -3.616 1.237 -5.102 1.00 0.00 C ATOM 520 OH TYR A 30 -4.828 1.335 -5.721 1.00 0.00 O ATOM 0 H TYR A 30 -0.199 -1.747 -2.355 1.00 0.00 H new ATOM 0 HA TYR A 30 1.101 -0.469 -4.697 1.00 0.00 H new ATOM 0 HB2 TYR A 30 0.062 0.639 -2.062 1.00 0.00 H new ATOM 0 HB3 TYR A 30 0.843 1.569 -3.326 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -2.240 -0.183 -2.326 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -0.329 2.082 -5.438 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -4.389 -0.019 -3.546 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -2.520 2.363 -6.579 1.00 0.00 H new ATOM 0 HH TYR A 30 -5.540 1.121 -5.082 1.00 0.00 H new ATOM 530 N ASP A 31 3.364 -0.746 -3.651 1.00 0.00 N ATOM 531 CA ASP A 31 4.705 -0.824 -3.086 1.00 0.00 C ATOM 532 C ASP A 31 5.168 0.589 -2.745 1.00 0.00 C ATOM 533 O ASP A 31 5.397 1.393 -3.648 1.00 0.00 O ATOM 534 CB ASP A 31 5.674 -1.457 -4.092 1.00 0.00 C ATOM 535 CG ASP A 31 6.936 -1.949 -3.405 1.00 0.00 C ATOM 536 OD1 ASP A 31 7.365 -1.280 -2.439 1.00 0.00 O ATOM 537 OD2 ASP A 31 7.442 -3.016 -3.815 1.00 0.00 O ATOM 0 H ASP A 31 3.350 -0.712 -4.670 1.00 0.00 H new ATOM 0 HA ASP A 31 4.688 -1.444 -2.189 1.00 0.00 H new ATOM 0 HB2 ASP A 31 5.184 -2.289 -4.598 1.00 0.00 H new ATOM 0 HB3 ASP A 31 5.935 -0.727 -4.858 1.00 0.00 H new ATOM 542 N LEU A 32 5.281 0.917 -1.459 1.00 0.00 N ATOM 543 CA LEU A 32 5.668 2.250 -1.016 1.00 0.00 C ATOM 544 C LEU A 32 6.992 2.160 -0.266 1.00 0.00 C ATOM 545 O LEU A 32 7.197 2.815 0.753 1.00 0.00 O ATOM 546 CB LEU A 32 4.550 2.850 -0.157 1.00 0.00 C ATOM 547 CG LEU A 32 3.188 2.858 -0.864 1.00 0.00 C ATOM 548 CD1 LEU A 32 2.100 3.094 0.176 1.00 0.00 C ATOM 549 CD2 LEU A 32 3.057 3.872 -2.011 1.00 0.00 C ATOM 0 H LEU A 32 5.106 0.263 -0.696 1.00 0.00 H new ATOM 0 HA LEU A 32 5.812 2.913 -1.869 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.468 2.283 0.770 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.817 3.871 0.116 1.00 0.00 H new ATOM 0 HG LEU A 32 3.082 1.884 -1.341 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.126 3.102 -0.312 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.127 2.296 0.918 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.268 4.053 0.667 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.060 3.801 -2.447 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.214 4.879 -1.626 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.803 3.655 -2.775 1.00 0.00 H new ATOM 561 N THR A 33 7.921 1.371 -0.804 1.00 0.00 N ATOM 562 CA THR A 33 9.222 1.155 -0.196 1.00 0.00 C ATOM 563 C THR A 33 10.127 2.377 -0.344 1.00 0.00 C ATOM 564 O THR A 33 10.830 2.749 0.593 1.00 0.00 O ATOM 565 CB THR A 33 9.819 -0.113 -0.804 1.00 0.00 C ATOM 566 OG1 THR A 33 8.989 -1.176 -0.393 1.00 0.00 O ATOM 567 CG2 THR A 33 11.245 -0.353 -0.318 1.00 0.00 C ATOM 0 H THR A 33 7.786 0.864 -1.678 1.00 0.00 H new ATOM 0 HA THR A 33 9.119 1.015 0.880 1.00 0.00 H new ATOM 0 HB THR A 33 9.867 -0.025 -1.889 1.00 0.00 H new ATOM 0 HG1 THR A 33 8.170 -1.178 -0.931 1.00 0.00 H new ATOM 0 HG21 THR A 33 11.636 -1.264 -0.772 1.00 0.00 H new ATOM 0 HG22 THR A 33 11.873 0.492 -0.601 1.00 0.00 H new ATOM 0 HG23 THR A 33 11.247 -0.459 0.767 1.00 0.00 H new ATOM 575 N LYS A 34 10.108 3.013 -1.517 1.00 0.00 N ATOM 576 CA LYS A 34 10.848 4.242 -1.779 1.00 0.00 C ATOM 577 C LYS A 34 9.931 5.459 -1.672 1.00 0.00 C ATOM 578 O LYS A 34 10.244 6.516 -2.210 1.00 0.00 O ATOM 579 CB LYS A 34 11.491 4.145 -3.167 1.00 0.00 C ATOM 580 CG LYS A 34 12.648 3.132 -3.189 1.00 0.00 C ATOM 581 CD LYS A 34 13.983 3.785 -3.605 1.00 0.00 C ATOM 582 CE LYS A 34 14.912 4.067 -2.409 1.00 0.00 C ATOM 583 NZ LYS A 34 16.124 3.222 -2.443 1.00 0.00 N ATOM 0 H LYS A 34 9.571 2.683 -2.319 1.00 0.00 H new ATOM 0 HA LYS A 34 11.632 4.367 -1.032 1.00 0.00 H new ATOM 0 HB2 LYS A 34 10.737 3.852 -3.898 1.00 0.00 H new ATOM 0 HB3 LYS A 34 11.860 5.126 -3.466 1.00 0.00 H new ATOM 0 HG2 LYS A 34 12.756 2.684 -2.201 1.00 0.00 H new ATOM 0 HG3 LYS A 34 12.409 2.324 -3.881 1.00 0.00 H new ATOM 0 HD2 LYS A 34 14.496 3.132 -4.311 1.00 0.00 H new ATOM 0 HD3 LYS A 34 13.777 4.720 -4.127 1.00 0.00 H new ATOM 0 HE2 LYS A 34 15.202 5.118 -2.414 1.00 0.00 H new ATOM 0 HE3 LYS A 34 14.371 3.890 -1.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 16.723 3.442 -1.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 15.849 2.219 -2.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 16.654 3.410 -3.318 1.00 0.00 H new ATOM 597 N PHE A 35 8.807 5.315 -0.967 1.00 0.00 N ATOM 598 CA PHE A 35 7.850 6.390 -0.771 1.00 0.00 C ATOM 599 C PHE A 35 7.633 6.671 0.712 1.00 0.00 C ATOM 600 O PHE A 35 6.847 7.541 1.074 1.00 0.00 O ATOM 601 CB PHE A 35 6.569 6.027 -1.512 1.00 0.00 C ATOM 602 CG PHE A 35 5.480 7.073 -1.459 1.00 0.00 C ATOM 603 CD1 PHE A 35 5.734 8.383 -1.897 1.00 0.00 C ATOM 604 CD2 PHE A 35 4.229 6.755 -0.916 1.00 0.00 C ATOM 605 CE1 PHE A 35 4.708 9.339 -1.901 1.00 0.00 C ATOM 606 CE2 PHE A 35 3.200 7.700 -0.929 1.00 0.00 C ATOM 607 CZ PHE A 35 3.433 8.996 -1.420 1.00 0.00 C ATOM 0 H PHE A 35 8.539 4.440 -0.515 1.00 0.00 H new ATOM 0 HA PHE A 35 8.231 7.324 -1.184 1.00 0.00 H new ATOM 0 HB2 PHE A 35 6.814 5.833 -2.556 1.00 0.00 H new ATOM 0 HB3 PHE A 35 6.179 5.097 -1.098 1.00 0.00 H new ATOM 0 HD1 PHE A 35 6.724 8.655 -2.232 1.00 0.00 H new ATOM 0 HD2 PHE A 35 4.059 5.779 -0.487 1.00 0.00 H new ATOM 0 HE1 PHE A 35 4.897 10.335 -2.272 1.00 0.00 H new ATOM 0 HE2 PHE A 35 2.221 7.433 -0.560 1.00 0.00 H new ATOM 0 HZ PHE A 35 2.636 9.725 -1.428 1.00 0.00 H new ATOM 617 N LEU A 36 8.376 5.971 1.571 1.00 0.00 N ATOM 618 CA LEU A 36 8.275 6.151 2.999 1.00 0.00 C ATOM 619 C LEU A 36 8.533 7.612 3.365 1.00 0.00 C ATOM 620 O LEU A 36 7.682 8.237 3.967 1.00 0.00 O ATOM 621 CB LEU A 36 9.216 5.181 3.717 1.00 0.00 C ATOM 622 CG LEU A 36 8.726 3.722 3.754 1.00 0.00 C ATOM 623 CD1 LEU A 36 9.618 2.887 4.684 1.00 0.00 C ATOM 624 CD2 LEU A 36 7.269 3.609 4.225 1.00 0.00 C ATOM 0 H LEU A 36 9.059 5.269 1.286 1.00 0.00 H new ATOM 0 HA LEU A 36 7.264 5.917 3.332 1.00 0.00 H new ATOM 0 HB2 LEU A 36 10.190 5.211 3.228 1.00 0.00 H new ATOM 0 HB3 LEU A 36 9.362 5.527 4.740 1.00 0.00 H new ATOM 0 HG LEU A 36 8.783 3.343 2.734 1.00 0.00 H new ATOM 0 HD11 LEU A 36 9.262 1.857 4.702 1.00 0.00 H new ATOM 0 HD12 LEU A 36 10.645 2.909 4.320 1.00 0.00 H new ATOM 0 HD13 LEU A 36 9.582 3.301 5.692 1.00 0.00 H new ATOM 0 HD21 LEU A 36 6.970 2.561 4.234 1.00 0.00 H new ATOM 0 HD22 LEU A 36 7.179 4.021 5.230 1.00 0.00 H new ATOM 0 HD23 LEU A 36 6.623 4.165 3.546 1.00 0.00 H new ATOM 636 N GLU A 37 9.668 8.196 2.992 1.00 0.00 N ATOM 637 CA GLU A 37 9.916 9.596 3.322 1.00 0.00 C ATOM 638 C GLU A 37 9.213 10.541 2.345 1.00 0.00 C ATOM 639 O GLU A 37 8.621 11.532 2.762 1.00 0.00 O ATOM 640 CB GLU A 37 11.427 9.840 3.380 1.00 0.00 C ATOM 641 CG GLU A 37 11.957 9.785 4.822 1.00 0.00 C ATOM 642 CD GLU A 37 12.500 11.144 5.246 1.00 0.00 C ATOM 643 OE1 GLU A 37 11.660 12.028 5.514 1.00 0.00 O ATOM 644 OE2 GLU A 37 13.742 11.275 5.258 1.00 0.00 O ATOM 0 H GLU A 37 10.415 7.735 2.473 1.00 0.00 H new ATOM 0 HA GLU A 37 9.492 9.812 4.303 1.00 0.00 H new ATOM 0 HB2 GLU A 37 11.940 9.092 2.775 1.00 0.00 H new ATOM 0 HB3 GLU A 37 11.655 10.813 2.945 1.00 0.00 H new ATOM 0 HG2 GLU A 37 11.158 9.480 5.498 1.00 0.00 H new ATOM 0 HG3 GLU A 37 12.743 9.034 4.898 1.00 0.00 H new ATOM 651 N GLU A 38 9.294 10.244 1.044 1.00 0.00 N ATOM 652 CA GLU A 38 8.698 11.064 -0.008 1.00 0.00 C ATOM 653 C GLU A 38 7.237 11.417 0.297 1.00 0.00 C ATOM 654 O GLU A 38 6.820 12.549 0.057 1.00 0.00 O ATOM 655 CB GLU A 38 8.801 10.335 -1.354 1.00 0.00 C ATOM 656 CG GLU A 38 9.885 10.870 -2.298 1.00 0.00 C ATOM 657 CD GLU A 38 9.264 11.715 -3.404 1.00 0.00 C ATOM 658 OE1 GLU A 38 8.558 11.108 -4.239 1.00 0.00 O ATOM 659 OE2 GLU A 38 9.487 12.943 -3.383 1.00 0.00 O ATOM 0 H GLU A 38 9.780 9.419 0.692 1.00 0.00 H new ATOM 0 HA GLU A 38 9.253 12.001 -0.056 1.00 0.00 H new ATOM 0 HB2 GLU A 38 8.994 9.279 -1.165 1.00 0.00 H new ATOM 0 HB3 GLU A 38 7.837 10.398 -1.859 1.00 0.00 H new ATOM 0 HG2 GLU A 38 10.602 11.468 -1.735 1.00 0.00 H new ATOM 0 HG3 GLU A 38 10.437 10.038 -2.735 1.00 0.00 H new ATOM 666 N HIS A 39 6.447 10.453 0.784 1.00 0.00 N ATOM 667 CA HIS A 39 5.057 10.697 1.143 1.00 0.00 C ATOM 668 C HIS A 39 4.894 11.975 1.972 1.00 0.00 C ATOM 669 O HIS A 39 5.461 12.056 3.065 1.00 0.00 O ATOM 670 CB HIS A 39 4.499 9.499 1.896 1.00 0.00 C ATOM 671 CG HIS A 39 3.100 9.695 2.442 1.00 0.00 C ATOM 672 ND1 HIS A 39 2.795 10.072 3.725 1.00 0.00 N ATOM 673 CD2 HIS A 39 1.922 9.354 1.841 1.00 0.00 C ATOM 674 CE1 HIS A 39 1.469 9.955 3.886 1.00 0.00 C ATOM 675 NE2 HIS A 39 0.884 9.501 2.763 1.00 0.00 N ATOM 0 H HIS A 39 6.755 9.493 0.937 1.00 0.00 H new ATOM 0 HA HIS A 39 4.494 10.838 0.220 1.00 0.00 H new ATOM 0 HB2 HIS A 39 4.498 8.636 1.230 1.00 0.00 H new ATOM 0 HB3 HIS A 39 5.168 9.262 2.723 1.00 0.00 H new ATOM 0 HD2 HIS A 39 1.811 9.024 0.819 1.00 0.00 H new ATOM 0 HE1 HIS A 39 0.940 10.194 4.797 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -0.106 9.306 2.616 1.00 0.00 H new ATOM 683 N PRO A 40 4.085 12.944 1.497 1.00 0.00 N ATOM 684 CA PRO A 40 3.848 14.208 2.173 1.00 0.00 C ATOM 685 C PRO A 40 2.951 13.972 3.389 1.00 0.00 C ATOM 686 O PRO A 40 1.779 14.336 3.415 1.00 0.00 O ATOM 687 CB PRO A 40 3.213 15.135 1.133 1.00 0.00 C ATOM 688 CG PRO A 40 2.609 14.202 0.090 1.00 0.00 C ATOM 689 CD PRO A 40 3.307 12.859 0.272 1.00 0.00 C ATOM 0 HA PRO A 40 4.762 14.665 2.554 1.00 0.00 H new ATOM 0 HB2 PRO A 40 2.450 15.770 1.584 1.00 0.00 H new ATOM 0 HB3 PRO A 40 3.956 15.797 0.688 1.00 0.00 H new ATOM 0 HG2 PRO A 40 1.533 14.104 0.231 1.00 0.00 H new ATOM 0 HG3 PRO A 40 2.765 14.589 -0.917 1.00 0.00 H new ATOM 0 HD2 PRO A 40 2.578 12.051 0.334 1.00 0.00 H new ATOM 0 HD3 PRO A 40 3.952 12.642 -0.579 1.00 0.00 H new ATOM 697 N GLY A 41 3.533 13.328 4.392 1.00 0.00 N ATOM 698 CA GLY A 41 2.900 12.963 5.637 1.00 0.00 C ATOM 699 C GLY A 41 3.922 12.272 6.523 1.00 0.00 C ATOM 700 O GLY A 41 3.870 12.416 7.742 1.00 0.00 O ATOM 0 H GLY A 41 4.509 13.035 4.350 1.00 0.00 H new ATOM 0 HA2 GLY A 41 2.508 13.850 6.135 1.00 0.00 H new ATOM 0 HA3 GLY A 41 2.054 12.302 5.450 1.00 0.00 H new ATOM 704 N GLY A 42 4.854 11.515 5.925 1.00 0.00 N ATOM 705 CA GLY A 42 5.813 10.775 6.707 1.00 0.00 C ATOM 706 C GLY A 42 6.080 9.405 6.224 1.00 0.00 C ATOM 707 O GLY A 42 5.561 9.073 5.180 1.00 0.00 O ATOM 0 H GLY A 42 4.951 11.410 4.915 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.752 11.329 6.724 1.00 0.00 H new ATOM 0 HA3 GLY A 42 5.457 10.720 7.736 1.00 0.00 H new ATOM 711 N GLU A 43 6.813 8.644 7.046 1.00 0.00 N ATOM 712 CA GLU A 43 7.058 7.235 6.856 1.00 0.00 C ATOM 713 C GLU A 43 6.232 6.436 7.875 1.00 0.00 C ATOM 714 O GLU A 43 5.632 5.436 7.499 1.00 0.00 O ATOM 715 CB GLU A 43 8.577 6.974 7.051 1.00 0.00 C ATOM 716 CG GLU A 43 9.038 5.508 7.223 1.00 0.00 C ATOM 717 CD GLU A 43 9.309 5.073 8.660 1.00 0.00 C ATOM 718 OE1 GLU A 43 8.359 4.581 9.296 1.00 0.00 O ATOM 719 OE2 GLU A 43 10.488 5.148 9.068 1.00 0.00 O ATOM 0 H GLU A 43 7.260 9.017 7.884 1.00 0.00 H new ATOM 0 HA GLU A 43 6.764 6.921 5.854 1.00 0.00 H new ATOM 0 HB2 GLU A 43 9.102 7.392 6.192 1.00 0.00 H new ATOM 0 HB3 GLU A 43 8.904 7.533 7.928 1.00 0.00 H new ATOM 0 HG2 GLU A 43 8.276 4.853 6.800 1.00 0.00 H new ATOM 0 HG3 GLU A 43 9.946 5.359 6.639 1.00 0.00 H new ATOM 726 N GLU A 44 6.158 6.868 9.145 1.00 0.00 N ATOM 727 CA GLU A 44 5.560 6.053 10.207 1.00 0.00 C ATOM 728 C GLU A 44 4.128 5.678 9.843 1.00 0.00 C ATOM 729 O GLU A 44 3.781 4.504 9.792 1.00 0.00 O ATOM 730 CB GLU A 44 5.596 6.758 11.572 1.00 0.00 C ATOM 731 CG GLU A 44 5.641 5.725 12.711 1.00 0.00 C ATOM 732 CD GLU A 44 5.020 6.275 13.987 1.00 0.00 C ATOM 733 OE1 GLU A 44 3.793 6.512 13.951 1.00 0.00 O ATOM 734 OE2 GLU A 44 5.782 6.481 14.955 1.00 0.00 O ATOM 0 H GLU A 44 6.505 7.775 9.457 1.00 0.00 H new ATOM 0 HA GLU A 44 6.159 5.147 10.295 1.00 0.00 H new ATOM 0 HB2 GLU A 44 6.468 7.409 11.629 1.00 0.00 H new ATOM 0 HB3 GLU A 44 4.717 7.393 11.683 1.00 0.00 H new ATOM 0 HG2 GLU A 44 5.111 4.823 12.407 1.00 0.00 H new ATOM 0 HG3 GLU A 44 6.675 5.438 12.903 1.00 0.00 H new ATOM 741 N VAL A 45 3.314 6.681 9.506 1.00 0.00 N ATOM 742 CA VAL A 45 1.941 6.479 9.081 1.00 0.00 C ATOM 743 C VAL A 45 1.858 5.455 7.934 1.00 0.00 C ATOM 744 O VAL A 45 0.924 4.660 7.881 1.00 0.00 O ATOM 745 CB VAL A 45 1.294 7.843 8.773 1.00 0.00 C ATOM 746 CG1 VAL A 45 1.318 8.760 10.004 1.00 0.00 C ATOM 747 CG2 VAL A 45 1.941 8.581 7.594 1.00 0.00 C ATOM 0 H VAL A 45 3.598 7.660 9.523 1.00 0.00 H new ATOM 0 HA VAL A 45 1.357 6.035 9.887 1.00 0.00 H new ATOM 0 HB VAL A 45 0.266 7.611 8.493 1.00 0.00 H new ATOM 0 HG11 VAL A 45 0.855 9.715 9.756 1.00 0.00 H new ATOM 0 HG12 VAL A 45 0.767 8.290 10.819 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.350 8.927 10.313 1.00 0.00 H new ATOM 0 HG21 VAL A 45 1.433 9.532 7.437 1.00 0.00 H new ATOM 0 HG22 VAL A 45 2.993 8.763 7.812 1.00 0.00 H new ATOM 0 HG23 VAL A 45 1.857 7.972 6.694 1.00 0.00 H new ATOM 757 N LEU A 46 2.865 5.402 7.057 1.00 0.00 N ATOM 758 CA LEU A 46 2.943 4.399 6.004 1.00 0.00 C ATOM 759 C LEU A 46 3.347 3.036 6.587 1.00 0.00 C ATOM 760 O LEU A 46 2.744 2.018 6.251 1.00 0.00 O ATOM 761 CB LEU A 46 3.884 4.840 4.873 1.00 0.00 C ATOM 762 CG LEU A 46 3.371 6.031 4.046 1.00 0.00 C ATOM 763 CD1 LEU A 46 3.513 7.328 4.796 1.00 0.00 C ATOM 764 CD2 LEU A 46 4.037 6.051 2.672 1.00 0.00 C ATOM 0 H LEU A 46 3.647 6.056 7.062 1.00 0.00 H new ATOM 0 HA LEU A 46 1.952 4.292 5.563 1.00 0.00 H new ATOM 0 HB2 LEU A 46 4.851 5.102 5.303 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.050 3.995 4.205 1.00 0.00 H new ATOM 0 HG LEU A 46 2.301 5.907 3.877 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.140 8.147 4.181 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.938 7.278 5.721 1.00 0.00 H new ATOM 0 HD13 LEU A 46 4.564 7.499 5.031 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.663 6.900 2.099 1.00 0.00 H new ATOM 0 HD22 LEU A 46 5.117 6.141 2.792 1.00 0.00 H new ATOM 0 HD23 LEU A 46 3.807 5.126 2.143 1.00 0.00 H new ATOM 776 N ARG A 47 4.346 3.009 7.476 1.00 0.00 N ATOM 777 CA ARG A 47 4.864 1.812 8.133 1.00 0.00 C ATOM 778 C ARG A 47 3.976 1.309 9.276 1.00 0.00 C ATOM 779 O ARG A 47 4.320 0.312 9.908 1.00 0.00 O ATOM 780 CB ARG A 47 6.315 2.028 8.603 1.00 0.00 C ATOM 781 CG ARG A 47 7.267 1.190 7.743 1.00 0.00 C ATOM 782 CD ARG A 47 8.716 1.274 8.217 1.00 0.00 C ATOM 783 NE ARG A 47 8.903 0.565 9.490 1.00 0.00 N ATOM 784 CZ ARG A 47 10.058 0.533 10.170 1.00 0.00 C ATOM 785 NH1 ARG A 47 11.112 1.219 9.714 1.00 0.00 N ATOM 786 NH2 ARG A 47 10.150 -0.175 11.302 1.00 0.00 N ATOM 0 H ARG A 47 4.833 3.857 7.767 1.00 0.00 H new ATOM 0 HA ARG A 47 4.854 1.022 7.382 1.00 0.00 H new ATOM 0 HB2 ARG A 47 6.578 3.083 8.530 1.00 0.00 H new ATOM 0 HB3 ARG A 47 6.414 1.746 9.651 1.00 0.00 H new ATOM 0 HG2 ARG A 47 6.943 0.149 7.759 1.00 0.00 H new ATOM 0 HG3 ARG A 47 7.207 1.527 6.708 1.00 0.00 H new ATOM 0 HD2 ARG A 47 9.374 0.847 7.460 1.00 0.00 H new ATOM 0 HD3 ARG A 47 9.002 2.319 8.335 1.00 0.00 H new ATOM 0 HE ARG A 47 8.104 0.066 9.881 1.00 0.00 H new ATOM 0 HH11 ARG A 47 11.034 1.762 8.854 1.00 0.00 H new ATOM 0 HH12 ARG A 47 11.994 1.199 10.226 1.00 0.00 H new ATOM 0 HH21 ARG A 47 9.341 -0.691 11.648 1.00 0.00 H new ATOM 0 HH22 ARG A 47 11.029 -0.199 11.819 1.00 0.00 H new ATOM 800 N GLU A 48 2.845 1.970 9.524 1.00 0.00 N ATOM 801 CA GLU A 48 1.901 1.608 10.567 1.00 0.00 C ATOM 802 C GLU A 48 0.906 0.607 9.991 1.00 0.00 C ATOM 803 O GLU A 48 0.699 -0.477 10.529 1.00 0.00 O ATOM 804 CB GLU A 48 1.220 2.881 11.107 1.00 0.00 C ATOM 805 CG GLU A 48 1.712 3.202 12.527 1.00 0.00 C ATOM 806 CD GLU A 48 1.145 2.250 13.577 1.00 0.00 C ATOM 807 OE1 GLU A 48 0.598 1.204 13.165 1.00 0.00 O ATOM 808 OE2 GLU A 48 1.265 2.583 14.773 1.00 0.00 O ATOM 0 H GLU A 48 2.559 2.790 8.990 1.00 0.00 H new ATOM 0 HA GLU A 48 2.404 1.135 11.410 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.432 3.721 10.445 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.138 2.745 11.114 1.00 0.00 H new ATOM 0 HG2 GLU A 48 2.801 3.154 12.549 1.00 0.00 H new ATOM 0 HG3 GLU A 48 1.433 4.225 12.781 1.00 0.00 H new ATOM 815 N GLN A 49 0.324 0.950 8.840 1.00 0.00 N ATOM 816 CA GLN A 49 -0.652 0.078 8.207 1.00 0.00 C ATOM 817 C GLN A 49 0.018 -0.935 7.279 1.00 0.00 C ATOM 818 O GLN A 49 -0.613 -1.896 6.856 1.00 0.00 O ATOM 819 CB GLN A 49 -1.705 0.917 7.484 1.00 0.00 C ATOM 820 CG GLN A 49 -3.115 0.473 7.883 1.00 0.00 C ATOM 821 CD GLN A 49 -3.389 -1.021 7.720 1.00 0.00 C ATOM 822 OE1 GLN A 49 -3.263 -1.575 6.639 1.00 0.00 O ATOM 823 NE2 GLN A 49 -3.788 -1.693 8.793 1.00 0.00 N ATOM 0 H GLN A 49 0.512 1.817 8.336 1.00 0.00 H new ATOM 0 HA GLN A 49 -1.156 -0.504 8.979 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -1.567 1.971 7.727 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -1.578 0.819 6.406 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -3.286 0.747 8.924 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -3.838 1.028 7.285 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -3.887 -1.213 9.688 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -3.995 -2.689 8.723 1.00 0.00 H new ATOM 832 N ALA A 50 1.287 -0.718 6.929 1.00 0.00 N ATOM 833 CA ALA A 50 2.012 -1.622 6.050 1.00 0.00 C ATOM 834 C ALA A 50 1.788 -3.106 6.364 1.00 0.00 C ATOM 835 O ALA A 50 1.788 -3.516 7.524 1.00 0.00 O ATOM 836 CB ALA A 50 3.498 -1.298 6.049 1.00 0.00 C ATOM 0 H ALA A 50 1.833 0.083 7.246 1.00 0.00 H new ATOM 0 HA ALA A 50 1.602 -1.458 5.053 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.020 -1.987 5.385 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.647 -0.276 5.702 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.893 -1.399 7.060 1.00 0.00 H new ATOM 842 N GLY A 51 1.638 -3.912 5.314 1.00 0.00 N ATOM 843 CA GLY A 51 1.375 -5.334 5.415 1.00 0.00 C ATOM 844 C GLY A 51 -0.041 -5.597 5.917 1.00 0.00 C ATOM 845 O GLY A 51 -0.231 -6.004 7.062 1.00 0.00 O ATOM 0 H GLY A 51 1.699 -3.581 4.351 1.00 0.00 H new ATOM 0 HA2 GLY A 51 1.511 -5.802 4.440 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.095 -5.793 6.092 1.00 0.00 H new ATOM 849 N GLY A 52 -1.026 -5.416 5.035 1.00 0.00 N ATOM 850 CA GLY A 52 -2.436 -5.603 5.332 1.00 0.00 C ATOM 851 C GLY A 52 -3.252 -4.533 4.612 1.00 0.00 C ATOM 852 O GLY A 52 -2.700 -3.529 4.157 1.00 0.00 O ATOM 0 H GLY A 52 -0.854 -5.128 4.072 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.757 -6.595 5.015 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.604 -5.542 6.407 1.00 0.00 H new ATOM 856 N ASP A 53 -4.557 -4.776 4.461 1.00 0.00 N ATOM 857 CA ASP A 53 -5.496 -3.815 3.905 1.00 0.00 C ATOM 858 C ASP A 53 -5.460 -2.528 4.715 1.00 0.00 C ATOM 859 O ASP A 53 -5.950 -2.487 5.841 1.00 0.00 O ATOM 860 CB ASP A 53 -6.914 -4.401 3.897 1.00 0.00 C ATOM 861 CG ASP A 53 -7.087 -5.433 2.797 1.00 0.00 C ATOM 862 OD1 ASP A 53 -6.547 -6.545 2.986 1.00 0.00 O ATOM 863 OD2 ASP A 53 -7.725 -5.078 1.782 1.00 0.00 O ATOM 0 H ASP A 53 -4.991 -5.660 4.727 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.208 -3.593 2.877 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -7.124 -4.860 4.863 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -7.639 -3.599 3.761 1.00 0.00 H new ATOM 868 N ALA A 54 -4.922 -1.470 4.103 1.00 0.00 N ATOM 869 CA ALA A 54 -4.880 -0.145 4.703 1.00 0.00 C ATOM 870 C ALA A 54 -6.005 0.715 4.173 1.00 0.00 C ATOM 871 O ALA A 54 -6.062 1.908 4.481 1.00 0.00 O ATOM 872 CB ALA A 54 -3.530 0.506 4.421 1.00 0.00 C ATOM 0 H ALA A 54 -4.503 -1.514 3.174 1.00 0.00 H new ATOM 0 HA ALA A 54 -5.008 -0.242 5.781 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -3.503 1.498 4.872 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.735 -0.107 4.845 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -3.386 0.593 3.344 1.00 0.00 H new ATOM 878 N THR A 55 -6.880 0.104 3.367 1.00 0.00 N ATOM 879 CA THR A 55 -8.015 0.774 2.803 1.00 0.00 C ATOM 880 C THR A 55 -8.737 1.554 3.923 1.00 0.00 C ATOM 881 O THR A 55 -8.814 2.783 3.896 1.00 0.00 O ATOM 882 CB THR A 55 -8.921 -0.236 2.078 1.00 0.00 C ATOM 883 OG1 THR A 55 -8.177 -1.012 1.150 1.00 0.00 O ATOM 884 CG2 THR A 55 -9.966 0.508 1.259 1.00 0.00 C ATOM 0 H THR A 55 -6.804 -0.877 3.097 1.00 0.00 H new ATOM 0 HA THR A 55 -7.706 1.496 2.047 1.00 0.00 H new ATOM 0 HB THR A 55 -9.372 -0.870 2.841 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.219 -0.869 1.298 1.00 0.00 H new ATOM 0 HG21 THR A 55 -10.606 -0.210 0.747 1.00 0.00 H new ATOM 0 HG22 THR A 55 -10.572 1.128 1.920 1.00 0.00 H new ATOM 0 HG23 THR A 55 -9.469 1.140 0.523 1.00 0.00 H new ATOM 892 N GLU A 56 -9.140 0.836 4.979 1.00 0.00 N ATOM 893 CA GLU A 56 -9.758 1.364 6.197 1.00 0.00 C ATOM 894 C GLU A 56 -8.720 2.007 7.127 1.00 0.00 C ATOM 895 O GLU A 56 -8.640 1.721 8.321 1.00 0.00 O ATOM 896 CB GLU A 56 -10.517 0.223 6.890 1.00 0.00 C ATOM 897 CG GLU A 56 -11.979 0.150 6.426 1.00 0.00 C ATOM 898 CD GLU A 56 -12.415 -1.276 6.126 1.00 0.00 C ATOM 899 OE1 GLU A 56 -11.807 -1.857 5.201 1.00 0.00 O ATOM 900 OE2 GLU A 56 -13.337 -1.752 6.820 1.00 0.00 O ATOM 0 H GLU A 56 -9.038 -0.179 5.006 1.00 0.00 H new ATOM 0 HA GLU A 56 -10.458 2.158 5.936 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -10.021 -0.725 6.680 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -10.485 0.367 7.970 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -12.625 0.571 7.197 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -12.106 0.763 5.534 1.00 0.00 H new ATOM 907 N ASN A 57 -7.914 2.899 6.567 1.00 0.00 N ATOM 908 CA ASN A 57 -6.929 3.668 7.307 1.00 0.00 C ATOM 909 C ASN A 57 -6.636 4.954 6.554 1.00 0.00 C ATOM 910 O ASN A 57 -6.746 6.050 7.096 1.00 0.00 O ATOM 911 CB ASN A 57 -5.658 2.836 7.485 1.00 0.00 C ATOM 912 CG ASN A 57 -4.979 3.159 8.806 1.00 0.00 C ATOM 913 OD1 ASN A 57 -4.290 4.162 8.932 1.00 0.00 O ATOM 914 ND2 ASN A 57 -5.158 2.293 9.800 1.00 0.00 N ATOM 0 H ASN A 57 -7.928 3.110 5.569 1.00 0.00 H new ATOM 0 HA ASN A 57 -7.313 3.920 8.295 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -5.905 1.775 7.448 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -4.972 3.032 6.661 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -4.714 2.455 10.704 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -5.740 1.467 9.658 1.00 0.00 H new ATOM 921 N PHE A 58 -6.296 4.820 5.271 1.00 0.00 N ATOM 922 CA PHE A 58 -6.027 5.982 4.438 1.00 0.00 C ATOM 923 C PHE A 58 -7.332 6.716 4.090 1.00 0.00 C ATOM 924 O PHE A 58 -7.333 7.946 3.962 1.00 0.00 O ATOM 925 CB PHE A 58 -5.226 5.559 3.199 1.00 0.00 C ATOM 926 CG PHE A 58 -6.054 5.286 1.966 1.00 0.00 C ATOM 927 CD1 PHE A 58 -6.509 6.356 1.177 1.00 0.00 C ATOM 928 CD2 PHE A 58 -6.486 3.983 1.679 1.00 0.00 C ATOM 929 CE1 PHE A 58 -7.322 6.126 0.065 1.00 0.00 C ATOM 930 CE2 PHE A 58 -7.268 3.748 0.537 1.00 0.00 C ATOM 931 CZ PHE A 58 -7.626 4.814 -0.306 1.00 0.00 C ATOM 0 H PHE A 58 -6.202 3.924 4.793 1.00 0.00 H new ATOM 0 HA PHE A 58 -5.415 6.696 4.989 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -4.504 6.342 2.967 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -4.657 4.662 3.442 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -6.227 7.367 1.433 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -6.219 3.166 2.332 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -7.713 6.957 -0.504 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -7.595 2.745 0.306 1.00 0.00 H new ATOM 0 HZ PHE A 58 -8.135 4.619 -1.238 1.00 0.00 H new ATOM 941 N GLU A 59 -8.426 5.960 3.902 1.00 0.00 N ATOM 942 CA GLU A 59 -9.709 6.502 3.466 1.00 0.00 C ATOM 943 C GLU A 59 -10.339 7.340 4.564 1.00 0.00 C ATOM 944 O GLU A 59 -11.025 8.313 4.274 1.00 0.00 O ATOM 945 CB GLU A 59 -10.695 5.388 3.089 1.00 0.00 C ATOM 946 CG GLU A 59 -10.528 4.940 1.634 1.00 0.00 C ATOM 947 CD GLU A 59 -10.911 6.025 0.613 1.00 0.00 C ATOM 948 OE1 GLU A 59 -11.660 6.939 1.015 1.00 0.00 O ATOM 949 OE2 GLU A 59 -10.484 5.933 -0.561 1.00 0.00 O ATOM 0 H GLU A 59 -8.438 4.951 4.051 1.00 0.00 H new ATOM 0 HA GLU A 59 -9.508 7.118 2.589 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -10.547 4.534 3.750 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -11.715 5.739 3.245 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -9.492 4.646 1.469 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -11.142 4.056 1.461 1.00 0.00 H new ATOM 956 N ASP A 60 -10.112 6.951 5.821 1.00 0.00 N ATOM 957 CA ASP A 60 -10.557 7.708 6.979 1.00 0.00 C ATOM 958 C ASP A 60 -10.239 9.190 6.782 1.00 0.00 C ATOM 959 O ASP A 60 -11.123 10.044 6.824 1.00 0.00 O ATOM 960 CB ASP A 60 -9.850 7.171 8.219 1.00 0.00 C ATOM 961 CG ASP A 60 -10.288 7.969 9.438 1.00 0.00 C ATOM 962 OD1 ASP A 60 -11.375 7.645 9.963 1.00 0.00 O ATOM 963 OD2 ASP A 60 -9.541 8.902 9.802 1.00 0.00 O ATOM 0 H ASP A 60 -9.610 6.095 6.059 1.00 0.00 H new ATOM 0 HA ASP A 60 -11.635 7.602 7.103 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -10.087 6.116 8.357 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -8.770 7.242 8.094 1.00 0.00 H new ATOM 968 N VAL A 61 -8.963 9.467 6.491 1.00 0.00 N ATOM 969 CA VAL A 61 -8.517 10.805 6.152 1.00 0.00 C ATOM 970 C VAL A 61 -9.183 11.333 4.896 1.00 0.00 C ATOM 971 O VAL A 61 -9.599 12.491 4.839 1.00 0.00 O ATOM 972 CB VAL A 61 -6.987 10.933 6.174 1.00 0.00 C ATOM 973 CG1 VAL A 61 -6.545 12.354 5.793 1.00 0.00 C ATOM 974 CG2 VAL A 61 -6.463 10.625 7.586 1.00 0.00 C ATOM 0 H VAL A 61 -8.221 8.767 6.486 1.00 0.00 H new ATOM 0 HA VAL A 61 -8.857 11.474 6.943 1.00 0.00 H new ATOM 0 HB VAL A 61 -6.581 10.226 5.450 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -5.457 12.415 5.817 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -6.900 12.589 4.789 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.964 13.068 6.502 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -5.377 10.716 7.599 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -6.895 11.330 8.296 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -6.745 9.610 7.865 1.00 0.00 H new ATOM 984 N GLY A 62 -9.262 10.482 3.886 1.00 0.00 N ATOM 985 CA GLY A 62 -9.877 10.795 2.621 1.00 0.00 C ATOM 986 C GLY A 62 -8.846 10.469 1.570 1.00 0.00 C ATOM 987 O GLY A 62 -8.987 9.491 0.844 1.00 0.00 O ATOM 0 H GLY A 62 -8.889 9.534 3.931 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -10.785 10.210 2.473 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -10.163 11.846 2.575 1.00 0.00 H new ATOM 991 N HIS A 63 -7.791 11.292 1.533 1.00 0.00 N ATOM 992 CA HIS A 63 -6.849 11.379 0.430 1.00 0.00 C ATOM 993 C HIS A 63 -7.569 11.753 -0.869 1.00 0.00 C ATOM 994 O HIS A 63 -8.674 11.300 -1.152 1.00 0.00 O ATOM 995 CB HIS A 63 -6.073 10.075 0.233 1.00 0.00 C ATOM 996 CG HIS A 63 -5.008 9.790 1.256 1.00 0.00 C ATOM 997 ND1 HIS A 63 -5.182 9.204 2.491 1.00 0.00 N ATOM 998 CD2 HIS A 63 -3.663 9.886 1.030 1.00 0.00 C ATOM 999 CE1 HIS A 63 -3.957 8.928 2.973 1.00 0.00 C ATOM 1000 NE2 HIS A 63 -2.997 9.342 2.125 1.00 0.00 N ATOM 0 H HIS A 63 -7.570 11.931 2.296 1.00 0.00 H new ATOM 0 HA HIS A 63 -6.134 12.161 0.685 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -6.783 9.248 0.234 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -5.608 10.095 -0.753 1.00 0.00 H new ATOM 0 HD1 HIS A 63 -6.072 9.015 2.953 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -3.197 10.311 0.153 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -3.768 8.438 3.917 1.00 0.00 H new ATOM 1008 N SER A 64 -6.925 12.571 -1.695 1.00 0.00 N ATOM 1009 CA SER A 64 -7.358 12.917 -3.033 1.00 0.00 C ATOM 1010 C SER A 64 -6.311 13.872 -3.588 1.00 0.00 C ATOM 1011 O SER A 64 -5.245 14.023 -2.987 1.00 0.00 O ATOM 1012 CB SER A 64 -8.787 13.489 -3.031 1.00 0.00 C ATOM 1013 OG SER A 64 -9.187 13.923 -4.321 1.00 0.00 O ATOM 0 H SER A 64 -6.051 13.027 -1.434 1.00 0.00 H new ATOM 0 HA SER A 64 -7.425 12.041 -3.679 1.00 0.00 H new ATOM 0 HB2 SER A 64 -9.481 12.729 -2.673 1.00 0.00 H new ATOM 0 HB3 SER A 64 -8.842 14.325 -2.334 1.00 0.00 H new ATOM 0 HG SER A 64 -10.100 14.278 -4.278 1.00 0.00 H new ATOM 1019 N THR A 65 -6.613 14.461 -4.742 1.00 0.00 N ATOM 1020 CA THR A 65 -5.923 15.536 -5.420 1.00 0.00 C ATOM 1021 C THR A 65 -4.666 15.015 -6.108 1.00 0.00 C ATOM 1022 O THR A 65 -4.503 15.186 -7.311 1.00 0.00 O ATOM 1023 CB THR A 65 -5.684 16.676 -4.421 1.00 0.00 C ATOM 1024 OG1 THR A 65 -6.878 16.917 -3.698 1.00 0.00 O ATOM 1025 CG2 THR A 65 -5.244 17.972 -5.102 1.00 0.00 C ATOM 0 H THR A 65 -7.431 14.161 -5.272 1.00 0.00 H new ATOM 0 HA THR A 65 -6.530 15.949 -6.226 1.00 0.00 H new ATOM 0 HB THR A 65 -4.878 16.364 -3.757 1.00 0.00 H new ATOM 0 HG1 THR A 65 -6.731 17.643 -3.057 1.00 0.00 H new ATOM 0 HG21 THR A 65 -5.089 18.744 -4.349 1.00 0.00 H new ATOM 0 HG22 THR A 65 -4.313 17.801 -5.643 1.00 0.00 H new ATOM 0 HG23 THR A 65 -6.015 18.296 -5.801 1.00 0.00 H new ATOM 1033 N ASP A 66 -3.836 14.324 -5.333 1.00 0.00 N ATOM 1034 CA ASP A 66 -2.650 13.618 -5.778 1.00 0.00 C ATOM 1035 C ASP A 66 -2.865 12.132 -5.572 1.00 0.00 C ATOM 1036 O ASP A 66 -2.798 11.372 -6.526 1.00 0.00 O ATOM 1037 CB ASP A 66 -1.421 14.080 -4.987 1.00 0.00 C ATOM 1038 CG ASP A 66 -0.627 15.143 -5.727 1.00 0.00 C ATOM 1039 OD1 ASP A 66 -0.276 14.875 -6.894 1.00 0.00 O ATOM 1040 OD2 ASP A 66 -0.357 16.184 -5.093 1.00 0.00 O ATOM 0 H ASP A 66 -3.984 14.240 -4.327 1.00 0.00 H new ATOM 0 HA ASP A 66 -2.476 13.830 -6.833 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -1.739 14.473 -4.022 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -0.778 13.223 -4.786 1.00 0.00 H new ATOM 1045 N ALA A 67 -3.139 11.696 -4.336 1.00 0.00 N ATOM 1046 CA ALA A 67 -3.176 10.279 -3.971 1.00 0.00 C ATOM 1047 C ALA A 67 -3.975 9.446 -4.991 1.00 0.00 C ATOM 1048 O ALA A 67 -3.617 8.313 -5.309 1.00 0.00 O ATOM 1049 CB ALA A 67 -3.811 10.121 -2.593 1.00 0.00 C ATOM 0 H ALA A 67 -3.342 12.323 -3.558 1.00 0.00 H new ATOM 0 HA ALA A 67 -2.149 9.914 -3.962 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.837 9.065 -2.323 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -3.223 10.669 -1.857 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.827 10.516 -2.613 1.00 0.00 H new ATOM 1055 N ARG A 68 -5.056 10.032 -5.516 1.00 0.00 N ATOM 1056 CA ARG A 68 -5.825 9.484 -6.626 1.00 0.00 C ATOM 1057 C ARG A 68 -4.923 9.135 -7.817 1.00 0.00 C ATOM 1058 O ARG A 68 -4.882 7.980 -8.238 1.00 0.00 O ATOM 1059 CB ARG A 68 -6.927 10.478 -7.053 1.00 0.00 C ATOM 1060 CG ARG A 68 -8.350 9.967 -6.759 1.00 0.00 C ATOM 1061 CD ARG A 68 -8.952 10.623 -5.512 1.00 0.00 C ATOM 1062 NE ARG A 68 -10.300 10.109 -5.220 1.00 0.00 N ATOM 1063 CZ ARG A 68 -10.565 8.949 -4.590 1.00 0.00 C ATOM 1064 NH1 ARG A 68 -9.562 8.163 -4.184 1.00 0.00 N ATOM 1065 NH2 ARG A 68 -11.830 8.573 -4.380 1.00 0.00 N ATOM 0 H ARG A 68 -5.424 10.918 -5.171 1.00 0.00 H new ATOM 0 HA ARG A 68 -6.294 8.560 -6.287 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -6.774 11.425 -6.536 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -6.833 10.679 -8.120 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -8.991 10.166 -7.618 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -8.326 8.886 -6.623 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -8.301 10.443 -4.656 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -8.998 11.703 -5.656 1.00 0.00 H new ATOM 0 HE ARG A 68 -11.094 10.675 -5.518 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -8.595 8.442 -4.352 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -9.764 7.284 -3.707 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -12.597 9.165 -4.697 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -12.028 7.694 -3.902 1.00 0.00 H new ATOM 1079 N GLU A 69 -4.210 10.126 -8.360 1.00 0.00 N ATOM 1080 CA GLU A 69 -3.333 9.956 -9.507 1.00 0.00 C ATOM 1081 C GLU A 69 -1.908 9.520 -9.107 1.00 0.00 C ATOM 1082 O GLU A 69 -1.024 9.441 -9.959 1.00 0.00 O ATOM 1083 CB GLU A 69 -3.360 11.221 -10.383 1.00 0.00 C ATOM 1084 CG GLU A 69 -2.844 12.496 -9.701 1.00 0.00 C ATOM 1085 CD GLU A 69 -2.107 13.369 -10.711 1.00 0.00 C ATOM 1086 OE1 GLU A 69 -0.942 13.024 -11.004 1.00 0.00 O ATOM 1087 OE2 GLU A 69 -2.742 14.313 -11.225 1.00 0.00 O ATOM 0 H GLU A 69 -4.231 11.082 -8.004 1.00 0.00 H new ATOM 0 HA GLU A 69 -3.714 9.131 -10.109 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.763 11.038 -11.276 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -4.384 11.393 -10.714 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.678 13.050 -9.270 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.177 12.234 -8.880 1.00 0.00 H new ATOM 1094 N LEU A 70 -1.681 9.196 -7.827 1.00 0.00 N ATOM 1095 CA LEU A 70 -0.362 8.895 -7.277 1.00 0.00 C ATOM 1096 C LEU A 70 -0.294 7.438 -6.831 1.00 0.00 C ATOM 1097 O LEU A 70 0.664 6.736 -7.139 1.00 0.00 O ATOM 1098 CB LEU A 70 -0.058 9.818 -6.096 1.00 0.00 C ATOM 1099 CG LEU A 70 1.444 10.044 -5.886 1.00 0.00 C ATOM 1100 CD1 LEU A 70 1.956 11.164 -6.806 1.00 0.00 C ATOM 1101 CD2 LEU A 70 1.680 10.421 -4.424 1.00 0.00 C ATOM 0 H LEU A 70 -2.428 9.136 -7.135 1.00 0.00 H new ATOM 0 HA LEU A 70 0.384 9.060 -8.055 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.546 10.779 -6.258 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -0.486 9.392 -5.189 1.00 0.00 H new ATOM 0 HG LEU A 70 1.987 9.131 -6.130 1.00 0.00 H new ATOM 0 HD11 LEU A 70 3.024 11.310 -6.642 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.783 10.888 -7.846 1.00 0.00 H new ATOM 0 HD13 LEU A 70 1.425 12.089 -6.583 1.00 0.00 H new ATOM 0 HD21 LEU A 70 2.745 10.585 -4.258 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.131 11.333 -4.190 1.00 0.00 H new ATOM 0 HD23 LEU A 70 1.333 9.614 -3.779 1.00 0.00 H new ATOM 1113 N SER A 71 -1.319 6.965 -6.112 1.00 0.00 N ATOM 1114 CA SER A 71 -1.442 5.565 -5.738 1.00 0.00 C ATOM 1115 C SER A 71 -1.255 4.708 -6.983 1.00 0.00 C ATOM 1116 O SER A 71 -0.451 3.787 -7.004 1.00 0.00 O ATOM 1117 CB SER A 71 -2.789 5.311 -5.046 1.00 0.00 C ATOM 1118 OG SER A 71 -3.878 5.472 -5.934 1.00 0.00 O ATOM 0 H SER A 71 -2.084 7.550 -5.776 1.00 0.00 H new ATOM 0 HA SER A 71 -0.669 5.294 -5.018 1.00 0.00 H new ATOM 0 HB2 SER A 71 -2.801 4.301 -4.636 1.00 0.00 H new ATOM 0 HB3 SER A 71 -2.901 5.997 -4.207 1.00 0.00 H new ATOM 0 HG SER A 71 -4.124 6.419 -5.981 1.00 0.00 H new ATOM 1124 N LYS A 72 -1.947 5.054 -8.064 1.00 0.00 N ATOM 1125 CA LYS A 72 -1.803 4.357 -9.326 1.00 0.00 C ATOM 1126 C LYS A 72 -0.351 4.360 -9.817 1.00 0.00 C ATOM 1127 O LYS A 72 0.155 3.327 -10.232 1.00 0.00 O ATOM 1128 CB LYS A 72 -2.796 4.933 -10.343 1.00 0.00 C ATOM 1129 CG LYS A 72 -3.895 3.912 -10.710 1.00 0.00 C ATOM 1130 CD LYS A 72 -3.703 3.385 -12.143 1.00 0.00 C ATOM 1131 CE LYS A 72 -3.924 1.870 -12.286 1.00 0.00 C ATOM 1132 NZ LYS A 72 -3.236 1.343 -13.486 1.00 0.00 N ATOM 0 H LYS A 72 -2.618 5.822 -8.085 1.00 0.00 H new ATOM 0 HA LYS A 72 -2.049 3.304 -9.188 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -3.257 5.832 -9.933 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -2.261 5.232 -11.245 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -3.872 3.080 -10.007 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -4.875 4.379 -10.619 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -4.392 3.907 -12.807 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -2.694 3.628 -12.477 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -3.554 1.360 -11.397 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -4.991 1.660 -12.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -3.401 0.319 -13.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -3.608 1.815 -14.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -2.215 1.524 -13.408 1.00 0.00 H new ATOM 1146 N THR A 73 0.355 5.481 -9.707 1.00 0.00 N ATOM 1147 CA THR A 73 1.786 5.551 -9.989 1.00 0.00 C ATOM 1148 C THR A 73 2.626 4.597 -9.109 1.00 0.00 C ATOM 1149 O THR A 73 3.761 4.287 -9.464 1.00 0.00 O ATOM 1150 CB THR A 73 2.214 7.031 -9.931 1.00 0.00 C ATOM 1151 OG1 THR A 73 1.872 7.626 -11.168 1.00 0.00 O ATOM 1152 CG2 THR A 73 3.692 7.262 -9.630 1.00 0.00 C ATOM 0 H THR A 73 -0.051 6.371 -9.418 1.00 0.00 H new ATOM 0 HA THR A 73 1.986 5.180 -10.994 1.00 0.00 H new ATOM 0 HB THR A 73 1.687 7.486 -9.092 1.00 0.00 H new ATOM 0 HG1 THR A 73 2.132 8.571 -11.159 1.00 0.00 H new ATOM 0 HG21 THR A 73 3.896 8.333 -9.610 1.00 0.00 H new ATOM 0 HG22 THR A 73 3.938 6.827 -8.661 1.00 0.00 H new ATOM 0 HG23 THR A 73 4.299 6.791 -10.404 1.00 0.00 H new ATOM 1160 N TYR A 74 2.079 4.094 -7.998 1.00 0.00 N ATOM 1161 CA TYR A 74 2.723 3.135 -7.106 1.00 0.00 C ATOM 1162 C TYR A 74 2.125 1.737 -7.231 1.00 0.00 C ATOM 1163 O TYR A 74 2.536 0.820 -6.518 1.00 0.00 O ATOM 1164 CB TYR A 74 2.579 3.622 -5.660 1.00 0.00 C ATOM 1165 CG TYR A 74 3.522 4.744 -5.301 1.00 0.00 C ATOM 1166 CD1 TYR A 74 4.907 4.545 -5.432 1.00 0.00 C ATOM 1167 CD2 TYR A 74 3.031 5.974 -4.827 1.00 0.00 C ATOM 1168 CE1 TYR A 74 5.791 5.607 -5.206 1.00 0.00 C ATOM 1169 CE2 TYR A 74 3.924 7.025 -4.557 1.00 0.00 C ATOM 1170 CZ TYR A 74 5.297 6.856 -4.806 1.00 0.00 C ATOM 1171 OH TYR A 74 6.161 7.903 -4.723 1.00 0.00 O ATOM 0 H TYR A 74 1.143 4.355 -7.688 1.00 0.00 H new ATOM 0 HA TYR A 74 3.773 3.069 -7.390 1.00 0.00 H new ATOM 0 HB2 TYR A 74 1.554 3.955 -5.499 1.00 0.00 H new ATOM 0 HB3 TYR A 74 2.752 2.784 -4.985 1.00 0.00 H new ATOM 0 HD1 TYR A 74 5.289 3.573 -5.707 1.00 0.00 H new ATOM 0 HD2 TYR A 74 1.971 6.110 -4.671 1.00 0.00 H new ATOM 0 HE1 TYR A 74 6.853 5.464 -5.340 1.00 0.00 H new ATOM 0 HE2 TYR A 74 3.557 7.960 -4.159 1.00 0.00 H new ATOM 0 HH TYR A 74 5.874 8.508 -4.007 1.00 0.00 H new ATOM 1181 N ILE A 75 1.141 1.557 -8.111 1.00 0.00 N ATOM 1182 CA ILE A 75 0.515 0.266 -8.288 1.00 0.00 C ATOM 1183 C ILE A 75 1.557 -0.693 -8.858 1.00 0.00 C ATOM 1184 O ILE A 75 2.184 -0.402 -9.875 1.00 0.00 O ATOM 1185 CB ILE A 75 -0.748 0.435 -9.148 1.00 0.00 C ATOM 1186 CG1 ILE A 75 -1.759 -0.697 -8.931 1.00 0.00 C ATOM 1187 CG2 ILE A 75 -0.507 0.628 -10.656 1.00 0.00 C ATOM 1188 CD1 ILE A 75 -1.197 -2.069 -9.278 1.00 0.00 C ATOM 0 H ILE A 75 0.767 2.294 -8.708 1.00 0.00 H new ATOM 0 HA ILE A 75 0.174 -0.169 -7.348 1.00 0.00 H new ATOM 0 HB ILE A 75 -1.163 1.376 -8.785 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -2.081 -0.695 -7.890 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -2.644 -0.508 -9.539 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -1.464 0.737 -11.166 1.00 0.00 H new ATOM 0 HG22 ILE A 75 0.094 1.523 -10.817 1.00 0.00 H new ATOM 0 HG23 ILE A 75 0.020 -0.239 -11.054 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -1.959 -2.829 -9.104 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -0.900 -2.086 -10.327 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -0.329 -2.276 -8.652 1.00 0.00 H new ATOM 1200 N ILE A 76 1.749 -1.834 -8.198 1.00 0.00 N ATOM 1201 CA ILE A 76 2.616 -2.884 -8.701 1.00 0.00 C ATOM 1202 C ILE A 76 1.770 -4.002 -9.309 1.00 0.00 C ATOM 1203 O ILE A 76 2.051 -4.433 -10.423 1.00 0.00 O ATOM 1204 CB ILE A 76 3.604 -3.337 -7.613 1.00 0.00 C ATOM 1205 CG1 ILE A 76 2.903 -3.744 -6.302 1.00 0.00 C ATOM 1206 CG2 ILE A 76 4.569 -2.168 -7.349 1.00 0.00 C ATOM 1207 CD1 ILE A 76 3.825 -4.409 -5.277 1.00 0.00 C ATOM 0 H ILE A 76 1.308 -2.051 -7.304 1.00 0.00 H new ATOM 0 HA ILE A 76 3.243 -2.510 -9.510 1.00 0.00 H new ATOM 0 HB ILE A 76 4.131 -4.223 -7.966 1.00 0.00 H new ATOM 0 HG12 ILE A 76 2.457 -2.857 -5.851 1.00 0.00 H new ATOM 0 HG13 ILE A 76 2.087 -4.427 -6.537 1.00 0.00 H new ATOM 0 HG21 ILE A 76 5.286 -2.455 -6.580 1.00 0.00 H new ATOM 0 HG22 ILE A 76 5.101 -1.921 -8.268 1.00 0.00 H new ATOM 0 HG23 ILE A 76 4.004 -1.299 -7.012 1.00 0.00 H new ATOM 0 HD11 ILE A 76 3.253 -4.664 -4.385 1.00 0.00 H new ATOM 0 HD12 ILE A 76 4.252 -5.316 -5.706 1.00 0.00 H new ATOM 0 HD13 ILE A 76 4.628 -3.722 -5.010 1.00 0.00 H new ATOM 1219 N GLY A 77 0.719 -4.436 -8.608 1.00 0.00 N ATOM 1220 CA GLY A 77 -0.138 -5.534 -9.018 1.00 0.00 C ATOM 1221 C GLY A 77 -1.425 -5.532 -8.200 1.00 0.00 C ATOM 1222 O GLY A 77 -2.069 -4.499 -8.044 1.00 0.00 O ATOM 0 H GLY A 77 0.440 -4.019 -7.720 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -0.373 -5.445 -10.079 1.00 0.00 H new ATOM 0 HA3 GLY A 77 0.384 -6.482 -8.885 1.00 0.00 H new ATOM 1226 N GLU A 78 -1.815 -6.670 -7.638 1.00 0.00 N ATOM 1227 CA GLU A 78 -3.078 -6.761 -6.927 1.00 0.00 C ATOM 1228 C GLU A 78 -3.041 -7.939 -5.968 1.00 0.00 C ATOM 1229 O GLU A 78 -2.110 -8.740 -5.996 1.00 0.00 O ATOM 1230 CB GLU A 78 -4.264 -6.770 -7.910 1.00 0.00 C ATOM 1231 CG GLU A 78 -4.135 -7.861 -8.973 1.00 0.00 C ATOM 1232 CD GLU A 78 -5.305 -7.869 -9.959 1.00 0.00 C ATOM 1233 OE1 GLU A 78 -6.473 -7.937 -9.508 1.00 0.00 O ATOM 1234 OE2 GLU A 78 -5.013 -7.832 -11.172 1.00 0.00 O ATOM 0 H GLU A 78 -1.277 -7.536 -7.662 1.00 0.00 H new ATOM 0 HA GLU A 78 -3.231 -5.873 -6.313 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -5.191 -6.916 -7.355 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -4.334 -5.798 -8.398 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -3.204 -7.719 -9.522 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -4.071 -8.833 -8.484 1.00 0.00 H new ATOM 1241 N LEU A 79 -4.029 -8.009 -5.079 1.00 0.00 N ATOM 1242 CA LEU A 79 -4.121 -9.106 -4.134 1.00 0.00 C ATOM 1243 C LEU A 79 -4.564 -10.367 -4.875 1.00 0.00 C ATOM 1244 O LEU A 79 -5.392 -10.279 -5.782 1.00 0.00 O ATOM 1245 CB LEU A 79 -5.091 -8.747 -2.996 1.00 0.00 C ATOM 1246 CG LEU A 79 -4.358 -8.604 -1.658 1.00 0.00 C ATOM 1247 CD1 LEU A 79 -5.337 -8.141 -0.574 1.00 0.00 C ATOM 1248 CD2 LEU A 79 -3.766 -9.939 -1.211 1.00 0.00 C ATOM 0 H LEU A 79 -4.774 -7.317 -4.998 1.00 0.00 H new ATOM 0 HA LEU A 79 -3.146 -9.293 -3.683 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -5.603 -7.814 -3.233 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -5.857 -9.518 -2.912 1.00 0.00 H new ATOM 0 HG LEU A 79 -3.559 -7.876 -1.797 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -4.809 -8.041 0.374 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -5.762 -7.178 -0.855 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -6.137 -8.874 -0.469 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -3.252 -9.808 -0.259 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -4.565 -10.671 -1.094 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -3.058 -10.292 -1.961 1.00 0.00 H new ATOM 1260 N HIS A 80 -4.003 -11.526 -4.513 1.00 0.00 N ATOM 1261 CA HIS A 80 -4.277 -12.787 -5.187 1.00 0.00 C ATOM 1262 C HIS A 80 -5.787 -13.041 -5.292 1.00 0.00 C ATOM 1263 O HIS A 80 -6.519 -12.747 -4.344 1.00 0.00 O ATOM 1264 CB HIS A 80 -3.574 -13.929 -4.443 1.00 0.00 C ATOM 1265 CG HIS A 80 -3.144 -15.073 -5.321 1.00 0.00 C ATOM 1266 ND1 HIS A 80 -3.676 -16.342 -5.346 1.00 0.00 N ATOM 1267 CD2 HIS A 80 -2.099 -15.045 -6.207 1.00 0.00 C ATOM 1268 CE1 HIS A 80 -2.992 -17.048 -6.263 1.00 0.00 C ATOM 1269 NE2 HIS A 80 -2.024 -16.300 -6.816 1.00 0.00 N ATOM 0 H HIS A 80 -3.344 -11.609 -3.739 1.00 0.00 H new ATOM 0 HA HIS A 80 -3.887 -12.736 -6.204 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -2.697 -13.529 -3.934 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -4.244 -14.311 -3.672 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -1.450 -14.204 -6.400 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -3.194 -18.077 -6.520 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -1.364 -16.590 -7.538 1.00 0.00 H new ATOM 1277 N PRO A 81 -6.277 -13.620 -6.402 1.00 0.00 N ATOM 1278 CA PRO A 81 -7.697 -13.861 -6.568 1.00 0.00 C ATOM 1279 C PRO A 81 -8.218 -14.899 -5.565 1.00 0.00 C ATOM 1280 O PRO A 81 -9.419 -14.943 -5.305 1.00 0.00 O ATOM 1281 CB PRO A 81 -7.899 -14.251 -8.034 1.00 0.00 C ATOM 1282 CG PRO A 81 -6.525 -14.689 -8.543 1.00 0.00 C ATOM 1283 CD PRO A 81 -5.521 -14.205 -7.498 1.00 0.00 C ATOM 0 HA PRO A 81 -8.287 -12.972 -6.347 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -8.626 -15.058 -8.127 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -8.280 -13.410 -8.613 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -6.478 -15.772 -8.659 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -6.313 -14.254 -9.520 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -4.909 -15.034 -7.142 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -4.842 -13.470 -7.930 1.00 0.00 H new