USER MOD reduce.3.24.130724 H: found=0, std=0, add=856, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 854 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 37 ASN : amide:sc= 1.34 K(o=-0.73,f=-5.8) USER MOD Set 1.2: A 77 HIS : no HE2:sc= 0.272 K(o=-0.73,f=-5.2!) USER MOD Set 1.3: A 81 HIS : no HE2:sc= 1.35 K(o=-0.73,f=-18!) USER MOD Set 1.4: A 100 HIS : no HE2:sc= -3.69 K(o=-0.73,f=-16!) USER MOD Single : A 9 LYS NZ :NH3+ 165:sc= -0.0296 (180deg=-0.286) USER MOD Single : A 12 GLN : amide:sc= -0.119 K(o=-0.12,f=-1.4) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 177:sc= 1.23 (180deg=1.19) USER MOD Single : A 24 LYS NZ :NH3+ -163:sc= 1.16 (180deg=0.881) USER MOD Single : A 26 LYS NZ :NH3+ 170:sc= -0.0252 (180deg=-0.159) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 GLN : amide:sc= -0.0217 X(o=-0.022,f=-0.25) USER MOD Single : A 42 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0353) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= -0.395 K(o=-0.4,f=-4.2!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot -128:sc= 0.0489 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -0.136! C(o=-0.14!,f=-13!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= -0.382 K(o=-0.38,f=-4.7!) USER MOD Single : A 69 LYS NZ :NH3+ 173:sc= 2.02 (180deg=1.95) USER MOD Single : A 76 LYS NZ :NH3+ 171:sc= 1.25 (180deg=1.24) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 SER OG : rot 77:sc= 0.612 USER MOD Single : A 98 GLN : amide:sc=-0.000732 K(o=-0.00073,f=-0.93) USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 102 GLN : amide:sc= -1.29 K(o=-1.3,f=-5.9!) USER MOD Single : A 105 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 107 HIS : no HE2:sc= 0.19 K(o=0.35,f=-6.3!) USER MOD ----------------------------------------------------------------- ATOM 90 N GLU A 6 -8.773 3.599 11.355 1.00 0.00 N ATOM 91 CA GLU A 6 -9.130 2.662 10.301 1.00 0.00 C ATOM 92 C GLU A 6 -8.245 2.867 9.078 1.00 0.00 C ATOM 93 O GLU A 6 -7.813 1.909 8.443 1.00 0.00 O ATOM 94 CB GLU A 6 -10.604 2.823 9.915 1.00 0.00 C ATOM 95 CG GLU A 6 -11.590 2.447 11.018 1.00 0.00 C ATOM 96 CD GLU A 6 -11.525 3.369 12.219 1.00 0.00 C ATOM 97 OE1 GLU A 6 -11.506 4.605 12.023 1.00 0.00 O ATOM 98 OE2 GLU A 6 -11.492 2.867 13.361 1.00 0.00 O ATOM 0 HA GLU A 6 -8.975 1.651 10.679 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -10.780 3.859 9.625 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -10.807 2.208 9.038 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -12.601 2.461 10.612 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -11.391 1.425 11.342 1.00 0.00 H new ATOM 105 N LEU A 7 -7.966 4.127 8.772 1.00 0.00 N ATOM 106 CA LEU A 7 -7.148 4.470 7.618 1.00 0.00 C ATOM 107 C LEU A 7 -5.699 4.056 7.850 1.00 0.00 C ATOM 108 O LEU A 7 -5.046 3.510 6.963 1.00 0.00 O ATOM 109 CB LEU A 7 -7.228 5.975 7.338 1.00 0.00 C ATOM 110 CG LEU A 7 -6.503 6.445 6.076 1.00 0.00 C ATOM 111 CD1 LEU A 7 -7.154 5.851 4.837 1.00 0.00 C ATOM 112 CD2 LEU A 7 -6.499 7.962 5.999 1.00 0.00 C ATOM 0 H LEU A 7 -8.295 4.930 9.309 1.00 0.00 H new ATOM 0 HA LEU A 7 -7.530 3.930 6.751 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -8.278 6.258 7.261 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -6.816 6.509 8.194 1.00 0.00 H new ATOM 0 HG LEU A 7 -5.470 6.100 6.122 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -6.626 6.196 3.948 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -7.108 4.763 4.888 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -8.196 6.168 4.786 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -5.979 8.279 5.095 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -7.526 8.328 5.974 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -5.990 8.369 6.872 1.00 0.00 H new ATOM 124 N LEU A 8 -5.208 4.311 9.059 1.00 0.00 N ATOM 125 CA LEU A 8 -3.828 4.013 9.408 1.00 0.00 C ATOM 126 C LEU A 8 -3.582 2.512 9.386 1.00 0.00 C ATOM 127 O LEU A 8 -2.627 2.035 8.774 1.00 0.00 O ATOM 128 CB LEU A 8 -3.508 4.570 10.796 1.00 0.00 C ATOM 129 CG LEU A 8 -2.035 4.511 11.203 1.00 0.00 C ATOM 130 CD1 LEU A 8 -1.184 5.335 10.249 1.00 0.00 C ATOM 131 CD2 LEU A 8 -1.862 4.999 12.632 1.00 0.00 C ATOM 0 H LEU A 8 -5.751 4.726 9.816 1.00 0.00 H new ATOM 0 HA LEU A 8 -3.176 4.484 8.672 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -3.837 5.608 10.837 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -4.093 4.020 11.533 1.00 0.00 H new ATOM 0 HG LEU A 8 -1.702 3.475 11.149 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -0.139 5.281 10.554 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.287 4.942 9.238 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -1.515 6.373 10.270 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -0.809 4.951 12.908 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -2.211 6.029 12.710 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -2.442 4.367 13.305 1.00 0.00 H new ATOM 143 N LYS A 9 -4.459 1.773 10.050 1.00 0.00 N ATOM 144 CA LYS A 9 -4.330 0.324 10.126 1.00 0.00 C ATOM 145 C LYS A 9 -4.436 -0.316 8.744 1.00 0.00 C ATOM 146 O LYS A 9 -3.774 -1.316 8.471 1.00 0.00 O ATOM 147 CB LYS A 9 -5.375 -0.271 11.073 1.00 0.00 C ATOM 148 CG LYS A 9 -5.178 0.148 12.525 1.00 0.00 C ATOM 149 CD LYS A 9 -6.125 -0.586 13.464 1.00 0.00 C ATOM 150 CE LYS A 9 -5.823 -2.077 13.520 1.00 0.00 C ATOM 151 NZ LYS A 9 -4.447 -2.356 14.009 1.00 0.00 N ATOM 0 H LYS A 9 -5.267 2.152 10.544 1.00 0.00 H new ATOM 0 HA LYS A 9 -3.340 0.104 10.525 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -6.369 0.035 10.745 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -5.338 -1.358 11.007 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -4.148 -0.049 12.822 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -5.337 1.222 12.617 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -6.046 -0.161 14.465 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -7.153 -0.436 13.134 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -6.545 -2.567 14.173 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -5.948 -2.508 12.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -4.369 -3.359 14.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -3.761 -2.140 13.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -4.247 -1.764 14.840 1.00 0.00 H new ATOM 165 N ALA A 10 -5.271 0.256 7.881 1.00 0.00 N ATOM 166 CA ALA A 10 -5.413 -0.235 6.513 1.00 0.00 C ATOM 167 C ALA A 10 -4.084 -0.164 5.762 1.00 0.00 C ATOM 168 O ALA A 10 -3.692 -1.109 5.080 1.00 0.00 O ATOM 169 CB ALA A 10 -6.480 0.551 5.769 1.00 0.00 C ATOM 0 H ALA A 10 -5.859 1.059 8.104 1.00 0.00 H new ATOM 0 HA ALA A 10 -5.720 -1.279 6.564 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -6.570 0.170 4.752 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -7.435 0.444 6.283 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -6.201 1.604 5.738 1.00 0.00 H new ATOM 175 N GLU A 11 -3.390 0.961 5.905 1.00 0.00 N ATOM 176 CA GLU A 11 -2.091 1.151 5.268 1.00 0.00 C ATOM 177 C GLU A 11 -1.047 0.227 5.903 1.00 0.00 C ATOM 178 O GLU A 11 -0.231 -0.389 5.213 1.00 0.00 O ATOM 179 CB GLU A 11 -1.664 2.619 5.397 1.00 0.00 C ATOM 180 CG GLU A 11 -0.333 2.946 4.735 1.00 0.00 C ATOM 181 CD GLU A 11 -0.375 2.861 3.222 1.00 0.00 C ATOM 182 OE1 GLU A 11 -0.360 1.764 2.671 1.00 0.00 O ATOM 183 OE2 GLU A 11 -0.372 3.909 2.545 1.00 0.00 O ATOM 0 H GLU A 11 -3.707 1.757 6.458 1.00 0.00 H new ATOM 0 HA GLU A 11 -2.170 0.898 4.211 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -2.438 3.250 4.960 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -1.603 2.876 6.455 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -0.028 3.951 5.027 1.00 0.00 H new ATOM 0 HG3 GLU A 11 0.428 2.261 5.109 1.00 0.00 H new ATOM 190 N GLN A 12 -1.095 0.119 7.226 1.00 0.00 N ATOM 191 CA GLN A 12 -0.176 -0.740 7.968 1.00 0.00 C ATOM 192 C GLN A 12 -0.419 -2.216 7.645 1.00 0.00 C ATOM 193 O GLN A 12 0.488 -3.042 7.757 1.00 0.00 O ATOM 194 CB GLN A 12 -0.321 -0.499 9.472 1.00 0.00 C ATOM 195 CG GLN A 12 0.074 0.907 9.900 1.00 0.00 C ATOM 196 CD GLN A 12 -0.183 1.173 11.370 1.00 0.00 C ATOM 197 OE1 GLN A 12 -1.099 0.607 11.966 1.00 0.00 O ATOM 198 NE2 GLN A 12 0.618 2.042 11.959 1.00 0.00 N ATOM 0 H GLN A 12 -1.765 0.619 7.811 1.00 0.00 H new ATOM 0 HA GLN A 12 0.840 -0.488 7.664 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -1.355 -0.682 9.764 1.00 0.00 H new ATOM 0 HB3 GLN A 12 0.295 -1.221 10.009 1.00 0.00 H new ATOM 0 HG2 GLN A 12 1.132 1.062 9.688 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -0.480 1.632 9.303 1.00 0.00 H new ATOM 0 HE21 GLN A 12 1.365 2.488 11.427 1.00 0.00 H new ATOM 0 HE22 GLN A 12 0.489 2.267 12.946 1.00 0.00 H new ATOM 207 N GLN A 13 -1.650 -2.537 7.252 1.00 0.00 N ATOM 208 CA GLN A 13 -2.015 -3.895 6.870 1.00 0.00 C ATOM 209 C GLN A 13 -1.179 -4.352 5.687 1.00 0.00 C ATOM 210 O GLN A 13 -0.671 -5.476 5.664 1.00 0.00 O ATOM 211 CB GLN A 13 -3.500 -3.964 6.509 1.00 0.00 C ATOM 212 CG GLN A 13 -3.972 -5.342 6.078 1.00 0.00 C ATOM 213 CD GLN A 13 -5.421 -5.345 5.635 1.00 0.00 C ATOM 214 OE1 GLN A 13 -6.231 -4.561 6.121 1.00 0.00 O ATOM 215 NE2 GLN A 13 -5.757 -6.218 4.701 1.00 0.00 N ATOM 0 H GLN A 13 -2.416 -1.867 7.190 1.00 0.00 H new ATOM 0 HA GLN A 13 -1.824 -4.554 7.717 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -4.087 -3.644 7.370 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -3.700 -3.256 5.705 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -3.345 -5.699 5.261 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -3.846 -6.041 6.905 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -5.056 -6.854 4.321 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -6.718 -6.256 4.360 1.00 0.00 H new ATOM 224 N GLY A 14 -1.030 -3.463 4.721 1.00 0.00 N ATOM 225 CA GLY A 14 -0.214 -3.761 3.563 1.00 0.00 C ATOM 226 C GLY A 14 1.231 -4.002 3.942 1.00 0.00 C ATOM 227 O GLY A 14 1.875 -4.903 3.414 1.00 0.00 O ATOM 0 H GLY A 14 -1.460 -2.538 4.717 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -0.609 -4.642 3.057 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -0.271 -2.934 2.855 1.00 0.00 H new ATOM 231 N ILE A 15 1.728 -3.203 4.882 1.00 0.00 N ATOM 232 CA ILE A 15 3.084 -3.362 5.393 1.00 0.00 C ATOM 233 C ILE A 15 3.263 -4.736 6.034 1.00 0.00 C ATOM 234 O ILE A 15 4.279 -5.399 5.831 1.00 0.00 O ATOM 235 CB ILE A 15 3.427 -2.262 6.422 1.00 0.00 C ATOM 236 CG1 ILE A 15 3.378 -0.884 5.754 1.00 0.00 C ATOM 237 CG2 ILE A 15 4.794 -2.510 7.047 1.00 0.00 C ATOM 238 CD1 ILE A 15 3.648 0.266 6.701 1.00 0.00 C ATOM 0 H ILE A 15 1.208 -2.435 5.307 1.00 0.00 H new ATOM 0 HA ILE A 15 3.764 -3.271 4.546 1.00 0.00 H new ATOM 0 HB ILE A 15 2.685 -2.290 7.220 1.00 0.00 H new ATOM 0 HG12 ILE A 15 4.109 -0.856 4.946 1.00 0.00 H new ATOM 0 HG13 ILE A 15 2.397 -0.746 5.300 1.00 0.00 H new ATOM 0 HG21 ILE A 15 5.013 -1.722 7.768 1.00 0.00 H new ATOM 0 HG22 ILE A 15 4.793 -3.475 7.553 1.00 0.00 H new ATOM 0 HG23 ILE A 15 5.556 -2.510 6.267 1.00 0.00 H new ATOM 0 HD11 ILE A 15 3.596 1.208 6.154 1.00 0.00 H new ATOM 0 HD12 ILE A 15 2.902 0.266 7.495 1.00 0.00 H new ATOM 0 HD13 ILE A 15 4.641 0.154 7.136 1.00 0.00 H new ATOM 250 N LYS A 16 2.259 -5.164 6.795 1.00 0.00 N ATOM 251 CA LYS A 16 2.292 -6.476 7.432 1.00 0.00 C ATOM 252 C LYS A 16 2.326 -7.569 6.373 1.00 0.00 C ATOM 253 O LYS A 16 3.064 -8.548 6.484 1.00 0.00 O ATOM 254 CB LYS A 16 1.067 -6.666 8.326 1.00 0.00 C ATOM 255 CG LYS A 16 1.186 -7.852 9.271 1.00 0.00 C ATOM 256 CD LYS A 16 -0.028 -7.977 10.182 1.00 0.00 C ATOM 257 CE LYS A 16 -1.303 -8.239 9.394 1.00 0.00 C ATOM 258 NZ LYS A 16 -2.466 -8.485 10.287 1.00 0.00 N ATOM 0 H LYS A 16 1.415 -4.623 6.985 1.00 0.00 H new ATOM 0 HA LYS A 16 3.191 -6.540 8.046 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.909 -5.760 8.911 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.186 -6.798 7.698 1.00 0.00 H new ATOM 0 HG2 LYS A 16 1.301 -8.768 8.691 1.00 0.00 H new ATOM 0 HG3 LYS A 16 2.085 -7.744 9.877 1.00 0.00 H new ATOM 0 HD2 LYS A 16 0.133 -8.788 10.892 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -0.142 -7.062 10.763 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -1.514 -7.385 8.750 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.157 -9.101 8.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -3.315 -8.659 9.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -2.276 -9.315 10.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -2.622 -7.653 10.891 1.00 0.00 H new ATOM 272 N ILE A 17 1.513 -7.384 5.344 1.00 0.00 N ATOM 273 CA ILE A 17 1.494 -8.295 4.204 1.00 0.00 C ATOM 274 C ILE A 17 2.850 -8.313 3.503 1.00 0.00 C ATOM 275 O ILE A 17 3.344 -9.374 3.143 1.00 0.00 O ATOM 276 CB ILE A 17 0.383 -7.914 3.194 1.00 0.00 C ATOM 277 CG1 ILE A 17 -0.993 -8.049 3.854 1.00 0.00 C ATOM 278 CG2 ILE A 17 0.464 -8.782 1.940 1.00 0.00 C ATOM 279 CD1 ILE A 17 -2.142 -7.637 2.962 1.00 0.00 C ATOM 0 H ILE A 17 0.854 -6.609 5.273 1.00 0.00 H new ATOM 0 HA ILE A 17 1.280 -9.293 4.588 1.00 0.00 H new ATOM 0 HB ILE A 17 0.530 -6.877 2.893 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -1.138 -9.085 4.162 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -1.012 -7.442 4.759 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -0.327 -8.495 1.247 1.00 0.00 H new ATOM 0 HG22 ILE A 17 1.434 -8.642 1.463 1.00 0.00 H new ATOM 0 HG23 ILE A 17 0.343 -9.830 2.214 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -3.082 -7.761 3.499 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -2.023 -6.592 2.675 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -2.150 -8.261 2.068 1.00 0.00 H new ATOM 291 N LEU A 18 3.456 -7.142 3.329 1.00 0.00 N ATOM 292 CA LEU A 18 4.783 -7.051 2.722 1.00 0.00 C ATOM 293 C LEU A 18 5.814 -7.805 3.559 1.00 0.00 C ATOM 294 O LEU A 18 6.700 -8.465 3.021 1.00 0.00 O ATOM 295 CB LEU A 18 5.202 -5.587 2.546 1.00 0.00 C ATOM 296 CG LEU A 18 4.367 -4.789 1.541 1.00 0.00 C ATOM 297 CD1 LEU A 18 4.821 -3.339 1.499 1.00 0.00 C ATOM 298 CD2 LEU A 18 4.453 -5.415 0.155 1.00 0.00 C ATOM 0 H LEU A 18 3.052 -6.245 3.598 1.00 0.00 H new ATOM 0 HA LEU A 18 4.736 -7.514 1.737 1.00 0.00 H new ATOM 0 HB2 LEU A 18 5.148 -5.091 3.515 1.00 0.00 H new ATOM 0 HB3 LEU A 18 6.245 -5.559 2.231 1.00 0.00 H new ATOM 0 HG LEU A 18 3.327 -4.814 1.866 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.215 -2.789 0.779 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.705 -2.893 2.487 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.869 -3.294 1.201 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.853 -4.833 -0.545 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.491 -5.423 -0.177 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.076 -6.437 0.193 1.00 0.00 H new ATOM 310 N LYS A 19 5.678 -7.709 4.878 1.00 0.00 N ATOM 311 CA LYS A 19 6.500 -8.467 5.800 1.00 0.00 C ATOM 312 C LYS A 19 6.317 -9.965 5.577 1.00 0.00 C ATOM 313 O LYS A 19 7.277 -10.742 5.587 1.00 0.00 O ATOM 314 CB LYS A 19 6.111 -8.105 7.224 1.00 0.00 C ATOM 315 CG LYS A 19 6.586 -6.731 7.656 1.00 0.00 C ATOM 316 CD LYS A 19 8.099 -6.674 7.804 1.00 0.00 C ATOM 317 CE LYS A 19 8.597 -7.673 8.839 1.00 0.00 C ATOM 318 NZ LYS A 19 10.047 -7.513 9.110 1.00 0.00 N ATOM 0 H LYS A 19 4.994 -7.103 5.332 1.00 0.00 H new ATOM 0 HA LYS A 19 7.548 -8.222 5.628 1.00 0.00 H new ATOM 0 HB2 LYS A 19 5.026 -8.150 7.317 1.00 0.00 H new ATOM 0 HB3 LYS A 19 6.521 -8.852 7.904 1.00 0.00 H new ATOM 0 HG2 LYS A 19 6.265 -5.989 6.925 1.00 0.00 H new ATOM 0 HG3 LYS A 19 6.118 -6.467 8.604 1.00 0.00 H new ATOM 0 HD2 LYS A 19 8.568 -6.881 6.842 1.00 0.00 H new ATOM 0 HD3 LYS A 19 8.399 -5.667 8.095 1.00 0.00 H new ATOM 0 HE2 LYS A 19 8.038 -7.544 9.766 1.00 0.00 H new ATOM 0 HE3 LYS A 19 8.403 -8.687 8.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 10.347 -8.212 9.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 10.583 -7.661 8.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 10.229 -6.554 9.469 1.00 0.00 H new ATOM 332 N GLU A 20 5.069 -10.357 5.372 1.00 0.00 N ATOM 333 CA GLU A 20 4.710 -11.735 5.119 1.00 0.00 C ATOM 334 C GLU A 20 5.239 -12.202 3.762 1.00 0.00 C ATOM 335 O GLU A 20 5.782 -13.301 3.638 1.00 0.00 O ATOM 336 CB GLU A 20 3.191 -11.847 5.190 1.00 0.00 C ATOM 337 CG GLU A 20 2.691 -12.518 6.456 1.00 0.00 C ATOM 338 CD GLU A 20 3.253 -13.912 6.649 1.00 0.00 C ATOM 339 OE1 GLU A 20 4.334 -14.043 7.260 1.00 0.00 O ATOM 340 OE2 GLU A 20 2.609 -14.886 6.200 1.00 0.00 O ATOM 0 H GLU A 20 4.273 -9.719 5.378 1.00 0.00 H new ATOM 0 HA GLU A 20 5.163 -12.382 5.870 1.00 0.00 H new ATOM 0 HB2 GLU A 20 2.758 -10.849 5.122 1.00 0.00 H new ATOM 0 HB3 GLU A 20 2.835 -12.409 4.326 1.00 0.00 H new ATOM 0 HG2 GLU A 20 2.957 -11.903 7.316 1.00 0.00 H new ATOM 0 HG3 GLU A 20 1.603 -12.572 6.427 1.00 0.00 H new ATOM 347 N VAL A 21 5.091 -11.349 2.755 1.00 0.00 N ATOM 348 CA VAL A 21 5.587 -11.629 1.411 1.00 0.00 C ATOM 349 C VAL A 21 7.102 -11.799 1.418 1.00 0.00 C ATOM 350 O VAL A 21 7.631 -12.681 0.753 1.00 0.00 O ATOM 351 CB VAL A 21 5.203 -10.502 0.420 1.00 0.00 C ATOM 352 CG1 VAL A 21 5.817 -10.742 -0.949 1.00 0.00 C ATOM 353 CG2 VAL A 21 3.691 -10.382 0.304 1.00 0.00 C ATOM 0 H VAL A 21 4.625 -10.446 2.846 1.00 0.00 H new ATOM 0 HA VAL A 21 5.120 -12.558 1.083 1.00 0.00 H new ATOM 0 HB VAL A 21 5.600 -9.566 0.812 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.530 -9.935 -1.623 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.903 -10.772 -0.861 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.459 -11.692 -1.347 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.442 -9.585 -0.397 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.278 -11.324 -0.056 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.268 -10.151 1.282 1.00 0.00 H new ATOM 363 N LEU A 22 7.788 -10.961 2.185 1.00 0.00 N ATOM 364 CA LEU A 22 9.244 -11.014 2.272 1.00 0.00 C ATOM 365 C LEU A 22 9.700 -12.360 2.827 1.00 0.00 C ATOM 366 O LEU A 22 10.706 -12.922 2.387 1.00 0.00 O ATOM 367 CB LEU A 22 9.763 -9.875 3.153 1.00 0.00 C ATOM 368 CG LEU A 22 11.281 -9.675 3.143 1.00 0.00 C ATOM 369 CD1 LEU A 22 11.769 -9.388 1.730 1.00 0.00 C ATOM 370 CD2 LEU A 22 11.673 -8.542 4.080 1.00 0.00 C ATOM 0 H LEU A 22 7.359 -10.234 2.758 1.00 0.00 H new ATOM 0 HA LEU A 22 9.654 -10.898 1.269 1.00 0.00 H new ATOM 0 HB2 LEU A 22 9.289 -8.947 2.833 1.00 0.00 H new ATOM 0 HB3 LEU A 22 9.445 -10.058 4.179 1.00 0.00 H new ATOM 0 HG LEU A 22 11.754 -10.593 3.493 1.00 0.00 H new ATOM 0 HD11 LEU A 22 12.850 -9.248 1.740 1.00 0.00 H new ATOM 0 HD12 LEU A 22 11.517 -10.227 1.081 1.00 0.00 H new ATOM 0 HD13 LEU A 22 11.290 -8.483 1.356 1.00 0.00 H new ATOM 0 HD21 LEU A 22 12.755 -8.412 4.062 1.00 0.00 H new ATOM 0 HD22 LEU A 22 11.192 -7.619 3.756 1.00 0.00 H new ATOM 0 HD23 LEU A 22 11.354 -8.782 5.094 1.00 0.00 H new ATOM 382 N LYS A 23 8.951 -12.878 3.794 1.00 0.00 N ATOM 383 CA LYS A 23 9.233 -14.189 4.368 1.00 0.00 C ATOM 384 C LYS A 23 9.003 -15.267 3.319 1.00 0.00 C ATOM 385 O LYS A 23 9.851 -16.129 3.090 1.00 0.00 O ATOM 386 CB LYS A 23 8.324 -14.438 5.575 1.00 0.00 C ATOM 387 CG LYS A 23 8.862 -15.451 6.581 1.00 0.00 C ATOM 388 CD LYS A 23 8.719 -16.888 6.094 1.00 0.00 C ATOM 389 CE LYS A 23 9.311 -17.871 7.092 1.00 0.00 C ATOM 390 NZ LYS A 23 9.113 -19.285 6.679 1.00 0.00 N ATOM 0 H LYS A 23 8.141 -12.408 4.198 1.00 0.00 H new ATOM 0 HA LYS A 23 10.272 -14.220 4.695 1.00 0.00 H new ATOM 0 HB2 LYS A 23 8.157 -13.491 6.088 1.00 0.00 H new ATOM 0 HB3 LYS A 23 7.354 -14.782 5.217 1.00 0.00 H new ATOM 0 HG2 LYS A 23 9.913 -15.240 6.778 1.00 0.00 H new ATOM 0 HG3 LYS A 23 8.332 -15.336 7.526 1.00 0.00 H new ATOM 0 HD2 LYS A 23 7.665 -17.117 5.936 1.00 0.00 H new ATOM 0 HD3 LYS A 23 9.218 -16.999 5.131 1.00 0.00 H new ATOM 0 HE2 LYS A 23 10.377 -17.674 7.204 1.00 0.00 H new ATOM 0 HE3 LYS A 23 8.854 -17.713 8.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 9.577 -19.915 7.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 8.096 -19.498 6.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 9.528 -19.433 5.737 1.00 0.00 H new ATOM 404 N LYS A 24 7.845 -15.194 2.684 1.00 0.00 N ATOM 405 CA LYS A 24 7.461 -16.147 1.651 1.00 0.00 C ATOM 406 C LYS A 24 8.365 -16.054 0.418 1.00 0.00 C ATOM 407 O LYS A 24 8.461 -17.003 -0.364 1.00 0.00 O ATOM 408 CB LYS A 24 5.994 -15.947 1.271 1.00 0.00 C ATOM 409 CG LYS A 24 5.026 -16.581 2.260 1.00 0.00 C ATOM 410 CD LYS A 24 3.579 -16.355 1.856 1.00 0.00 C ATOM 411 CE LYS A 24 2.623 -17.124 2.754 1.00 0.00 C ATOM 412 NZ LYS A 24 2.768 -18.596 2.598 1.00 0.00 N ATOM 0 H LYS A 24 7.145 -14.475 2.868 1.00 0.00 H new ATOM 0 HA LYS A 24 7.587 -17.150 2.060 1.00 0.00 H new ATOM 0 HB2 LYS A 24 5.786 -14.879 1.202 1.00 0.00 H new ATOM 0 HB3 LYS A 24 5.821 -16.370 0.281 1.00 0.00 H new ATOM 0 HG2 LYS A 24 5.222 -17.651 2.326 1.00 0.00 H new ATOM 0 HG3 LYS A 24 5.196 -16.164 3.253 1.00 0.00 H new ATOM 0 HD2 LYS A 24 3.349 -15.291 1.904 1.00 0.00 H new ATOM 0 HD3 LYS A 24 3.436 -16.665 0.821 1.00 0.00 H new ATOM 0 HE2 LYS A 24 2.804 -16.851 3.794 1.00 0.00 H new ATOM 0 HE3 LYS A 24 1.598 -16.835 2.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 1.931 -19.071 2.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 2.857 -18.831 1.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 3.618 -18.917 3.104 1.00 0.00 H new ATOM 426 N ALA A 25 9.017 -14.914 0.239 1.00 0.00 N ATOM 427 CA ALA A 25 9.994 -14.752 -0.830 1.00 0.00 C ATOM 428 C ALA A 25 11.192 -15.668 -0.597 1.00 0.00 C ATOM 429 O ALA A 25 11.789 -16.181 -1.539 1.00 0.00 O ATOM 430 CB ALA A 25 10.444 -13.300 -0.935 1.00 0.00 C ATOM 0 H ALA A 25 8.887 -14.086 0.821 1.00 0.00 H new ATOM 0 HA ALA A 25 9.522 -15.030 -1.772 1.00 0.00 H new ATOM 0 HB1 ALA A 25 11.173 -13.202 -1.739 1.00 0.00 H new ATOM 0 HB2 ALA A 25 9.583 -12.667 -1.147 1.00 0.00 H new ATOM 0 HB3 ALA A 25 10.899 -12.991 0.006 1.00 0.00 H new ATOM 436 N LYS A 26 11.523 -15.876 0.674 1.00 0.00 N ATOM 437 CA LYS A 26 12.606 -16.774 1.058 1.00 0.00 C ATOM 438 C LYS A 26 12.174 -18.230 0.899 1.00 0.00 C ATOM 439 O LYS A 26 13.002 -19.110 0.674 1.00 0.00 O ATOM 440 CB LYS A 26 13.056 -16.495 2.496 1.00 0.00 C ATOM 441 CG LYS A 26 13.775 -15.163 2.665 1.00 0.00 C ATOM 442 CD LYS A 26 15.081 -15.137 1.880 1.00 0.00 C ATOM 443 CE LYS A 26 15.784 -13.788 1.984 1.00 0.00 C ATOM 444 NZ LYS A 26 16.085 -13.417 3.393 1.00 0.00 N ATOM 0 H LYS A 26 11.052 -15.430 1.461 1.00 0.00 H new ATOM 0 HA LYS A 26 13.454 -16.594 0.397 1.00 0.00 H new ATOM 0 HB2 LYS A 26 12.184 -16.513 3.150 1.00 0.00 H new ATOM 0 HB3 LYS A 26 13.716 -17.298 2.823 1.00 0.00 H new ATOM 0 HG2 LYS A 26 13.129 -14.353 2.327 1.00 0.00 H new ATOM 0 HG3 LYS A 26 13.979 -14.989 3.721 1.00 0.00 H new ATOM 0 HD2 LYS A 26 15.742 -15.920 2.251 1.00 0.00 H new ATOM 0 HD3 LYS A 26 14.879 -15.360 0.833 1.00 0.00 H new ATOM 0 HE2 LYS A 26 16.712 -13.819 1.412 1.00 0.00 H new ATOM 0 HE3 LYS A 26 15.157 -13.018 1.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 16.707 -12.584 3.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 15.199 -13.196 3.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 16.560 -14.212 3.867 1.00 0.00 H new ATOM 458 N GLU A 27 10.873 -18.475 1.037 1.00 0.00 N ATOM 459 CA GLU A 27 10.309 -19.806 0.820 1.00 0.00 C ATOM 460 C GLU A 27 10.665 -20.314 -0.572 1.00 0.00 C ATOM 461 O GLU A 27 11.099 -21.454 -0.740 1.00 0.00 O ATOM 462 CB GLU A 27 8.787 -19.771 0.964 1.00 0.00 C ATOM 463 CG GLU A 27 8.303 -19.344 2.337 1.00 0.00 C ATOM 464 CD GLU A 27 8.730 -20.293 3.432 1.00 0.00 C ATOM 465 OE1 GLU A 27 8.117 -21.372 3.562 1.00 0.00 O ATOM 466 OE2 GLU A 27 9.666 -19.959 4.185 1.00 0.00 O ATOM 0 H GLU A 27 10.187 -17.767 1.299 1.00 0.00 H new ATOM 0 HA GLU A 27 10.729 -20.477 1.570 1.00 0.00 H new ATOM 0 HB2 GLU A 27 8.378 -19.089 0.218 1.00 0.00 H new ATOM 0 HB3 GLU A 27 8.389 -20.761 0.742 1.00 0.00 H new ATOM 0 HG2 GLU A 27 8.685 -18.347 2.558 1.00 0.00 H new ATOM 0 HG3 GLU A 27 7.215 -19.274 2.328 1.00 0.00 H new ATOM 473 N GLY A 28 10.466 -19.454 -1.565 1.00 0.00 N ATOM 474 CA GLY A 28 10.797 -19.800 -2.929 1.00 0.00 C ATOM 475 C GLY A 28 9.740 -20.663 -3.586 1.00 0.00 C ATOM 476 O GLY A 28 9.998 -21.820 -3.923 1.00 0.00 O ATOM 0 H GLY A 28 10.079 -18.518 -1.445 1.00 0.00 H new ATOM 0 HA2 GLY A 28 10.927 -18.887 -3.510 1.00 0.00 H new ATOM 0 HA3 GLY A 28 11.751 -20.326 -2.945 1.00 0.00 H new ATOM 480 N ASP A 29 8.545 -20.114 -3.754 1.00 0.00 N ATOM 481 CA ASP A 29 7.475 -20.817 -4.453 1.00 0.00 C ATOM 482 C ASP A 29 6.763 -19.883 -5.424 1.00 0.00 C ATOM 483 O ASP A 29 6.368 -18.781 -5.049 1.00 0.00 O ATOM 484 CB ASP A 29 6.468 -21.400 -3.461 1.00 0.00 C ATOM 485 CG ASP A 29 5.349 -22.146 -4.159 1.00 0.00 C ATOM 486 OD1 ASP A 29 5.538 -23.337 -4.485 1.00 0.00 O ATOM 487 OD2 ASP A 29 4.282 -21.550 -4.393 1.00 0.00 O ATOM 0 H ASP A 29 8.291 -19.185 -3.417 1.00 0.00 H new ATOM 0 HA ASP A 29 7.925 -21.635 -5.016 1.00 0.00 H new ATOM 0 HB2 ASP A 29 6.982 -22.075 -2.777 1.00 0.00 H new ATOM 0 HB3 ASP A 29 6.046 -20.596 -2.858 1.00 0.00 H new ATOM 492 N GLU A 30 6.601 -20.333 -6.667 1.00 0.00 N ATOM 493 CA GLU A 30 5.966 -19.526 -7.710 1.00 0.00 C ATOM 494 C GLU A 30 4.539 -19.156 -7.335 1.00 0.00 C ATOM 495 O GLU A 30 4.154 -17.988 -7.393 1.00 0.00 O ATOM 496 CB GLU A 30 5.932 -20.283 -9.036 1.00 0.00 C ATOM 497 CG GLU A 30 7.295 -20.559 -9.642 1.00 0.00 C ATOM 498 CD GLU A 30 7.186 -21.324 -10.945 1.00 0.00 C ATOM 499 OE1 GLU A 30 7.161 -22.571 -10.902 1.00 0.00 O ATOM 500 OE2 GLU A 30 7.099 -20.687 -12.016 1.00 0.00 O ATOM 0 H GLU A 30 6.902 -21.257 -6.978 1.00 0.00 H new ATOM 0 HA GLU A 30 6.561 -18.618 -7.813 1.00 0.00 H new ATOM 0 HB2 GLU A 30 5.418 -21.232 -8.884 1.00 0.00 H new ATOM 0 HB3 GLU A 30 5.341 -19.711 -9.751 1.00 0.00 H new ATOM 0 HG2 GLU A 30 7.813 -19.616 -9.816 1.00 0.00 H new ATOM 0 HG3 GLU A 30 7.899 -21.129 -8.935 1.00 0.00 H new ATOM 507 N GLN A 31 3.768 -20.160 -6.947 1.00 0.00 N ATOM 508 CA GLN A 31 2.349 -19.989 -6.671 1.00 0.00 C ATOM 509 C GLN A 31 2.134 -19.019 -5.517 1.00 0.00 C ATOM 510 O GLN A 31 1.263 -18.149 -5.579 1.00 0.00 O ATOM 511 CB GLN A 31 1.714 -21.340 -6.357 1.00 0.00 C ATOM 512 CG GLN A 31 1.925 -22.366 -7.461 1.00 0.00 C ATOM 513 CD GLN A 31 1.236 -23.685 -7.182 1.00 0.00 C ATOM 514 OE1 GLN A 31 1.811 -24.585 -6.566 1.00 0.00 O ATOM 515 NE2 GLN A 31 0.001 -23.817 -7.641 1.00 0.00 N ATOM 0 H GLN A 31 4.106 -21.113 -6.815 1.00 0.00 H new ATOM 0 HA GLN A 31 1.871 -19.570 -7.557 1.00 0.00 H new ATOM 0 HB2 GLN A 31 2.132 -21.724 -5.426 1.00 0.00 H new ATOM 0 HB3 GLN A 31 0.645 -21.204 -6.194 1.00 0.00 H new ATOM 0 HG2 GLN A 31 1.554 -21.960 -8.402 1.00 0.00 H new ATOM 0 HG3 GLN A 31 2.993 -22.540 -7.588 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -0.440 -23.049 -8.146 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -0.509 -24.687 -7.489 1.00 0.00 H new ATOM 524 N GLU A 32 2.941 -19.170 -4.472 1.00 0.00 N ATOM 525 CA GLU A 32 2.901 -18.276 -3.336 1.00 0.00 C ATOM 526 C GLU A 32 3.220 -16.847 -3.756 1.00 0.00 C ATOM 527 O GLU A 32 2.481 -15.922 -3.431 1.00 0.00 O ATOM 528 CB GLU A 32 3.893 -18.740 -2.276 1.00 0.00 C ATOM 529 CG GLU A 32 3.520 -20.053 -1.612 1.00 0.00 C ATOM 530 CD GLU A 32 2.165 -20.001 -0.940 1.00 0.00 C ATOM 531 OE1 GLU A 32 2.058 -19.391 0.145 1.00 0.00 O ATOM 532 OE2 GLU A 32 1.198 -20.572 -1.492 1.00 0.00 O ATOM 0 H GLU A 32 3.635 -19.913 -4.395 1.00 0.00 H new ATOM 0 HA GLU A 32 1.893 -18.294 -2.921 1.00 0.00 H new ATOM 0 HB2 GLU A 32 4.877 -18.843 -2.734 1.00 0.00 H new ATOM 0 HB3 GLU A 32 3.978 -17.969 -1.510 1.00 0.00 H new ATOM 0 HG2 GLU A 32 3.521 -20.847 -2.359 1.00 0.00 H new ATOM 0 HG3 GLU A 32 4.278 -20.310 -0.873 1.00 0.00 H new ATOM 539 N LEU A 33 4.309 -16.676 -4.498 1.00 0.00 N ATOM 540 CA LEU A 33 4.739 -15.354 -4.937 1.00 0.00 C ATOM 541 C LEU A 33 3.685 -14.700 -5.827 1.00 0.00 C ATOM 542 O LEU A 33 3.391 -13.513 -5.682 1.00 0.00 O ATOM 543 CB LEU A 33 6.075 -15.439 -5.680 1.00 0.00 C ATOM 544 CG LEU A 33 7.260 -15.933 -4.846 1.00 0.00 C ATOM 545 CD1 LEU A 33 8.529 -15.960 -5.684 1.00 0.00 C ATOM 546 CD2 LEU A 33 7.455 -15.058 -3.618 1.00 0.00 C ATOM 0 H LEU A 33 4.911 -17.439 -4.808 1.00 0.00 H new ATOM 0 HA LEU A 33 4.870 -14.736 -4.049 1.00 0.00 H new ATOM 0 HB2 LEU A 33 5.954 -16.102 -6.536 1.00 0.00 H new ATOM 0 HB3 LEU A 33 6.316 -14.451 -6.073 1.00 0.00 H new ATOM 0 HG LEU A 33 7.043 -16.948 -4.514 1.00 0.00 H new ATOM 0 HD11 LEU A 33 9.360 -16.314 -5.074 1.00 0.00 H new ATOM 0 HD12 LEU A 33 8.391 -16.630 -6.532 1.00 0.00 H new ATOM 0 HD13 LEU A 33 8.747 -14.956 -6.047 1.00 0.00 H new ATOM 0 HD21 LEU A 33 8.302 -15.427 -3.039 1.00 0.00 H new ATOM 0 HD22 LEU A 33 7.648 -14.031 -3.930 1.00 0.00 H new ATOM 0 HD23 LEU A 33 6.555 -15.088 -3.003 1.00 0.00 H new ATOM 558 N ALA A 34 3.114 -15.480 -6.739 1.00 0.00 N ATOM 559 CA ALA A 34 2.077 -14.979 -7.634 1.00 0.00 C ATOM 560 C ALA A 34 0.845 -14.556 -6.844 1.00 0.00 C ATOM 561 O ALA A 34 0.238 -13.519 -7.119 1.00 0.00 O ATOM 562 CB ALA A 34 1.712 -16.032 -8.668 1.00 0.00 C ATOM 0 H ALA A 34 3.352 -16.462 -6.878 1.00 0.00 H new ATOM 0 HA ALA A 34 2.466 -14.104 -8.155 1.00 0.00 H new ATOM 0 HB1 ALA A 34 0.937 -15.641 -9.327 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.594 -16.286 -9.256 1.00 0.00 H new ATOM 0 HB3 ALA A 34 1.343 -16.925 -8.163 1.00 0.00 H new ATOM 568 N ARG A 35 0.498 -15.360 -5.850 1.00 0.00 N ATOM 569 CA ARG A 35 -0.633 -15.077 -4.985 1.00 0.00 C ATOM 570 C ARG A 35 -0.369 -13.817 -4.166 1.00 0.00 C ATOM 571 O ARG A 35 -1.235 -12.952 -4.041 1.00 0.00 O ATOM 572 CB ARG A 35 -0.866 -16.267 -4.055 1.00 0.00 C ATOM 573 CG ARG A 35 -2.276 -16.830 -4.112 1.00 0.00 C ATOM 574 CD ARG A 35 -2.414 -18.056 -3.227 1.00 0.00 C ATOM 575 NE ARG A 35 -3.730 -18.676 -3.350 1.00 0.00 N ATOM 576 CZ ARG A 35 -4.295 -19.423 -2.403 1.00 0.00 C ATOM 577 NH1 ARG A 35 -3.638 -19.695 -1.281 1.00 0.00 N ATOM 578 NH2 ARG A 35 -5.520 -19.903 -2.588 1.00 0.00 N ATOM 0 H ARG A 35 0.992 -16.223 -5.622 1.00 0.00 H new ATOM 0 HA ARG A 35 -1.521 -14.913 -5.595 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -0.160 -17.057 -4.309 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -0.649 -15.963 -3.031 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -2.988 -16.068 -3.795 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -2.525 -17.091 -5.141 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -1.645 -18.782 -3.492 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -2.242 -17.774 -2.188 1.00 0.00 H new ATOM 0 HE ARG A 35 -4.249 -18.528 -4.215 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -2.695 -19.331 -1.141 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -4.076 -20.268 -0.559 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -6.023 -19.699 -3.452 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -5.958 -20.476 -1.866 1.00 0.00 H new ATOM 592 N LEU A 36 0.844 -13.719 -3.632 1.00 0.00 N ATOM 593 CA LEU A 36 1.252 -12.573 -2.827 1.00 0.00 C ATOM 594 C LEU A 36 1.236 -11.294 -3.643 1.00 0.00 C ATOM 595 O LEU A 36 0.763 -10.264 -3.177 1.00 0.00 O ATOM 596 CB LEU A 36 2.655 -12.791 -2.266 1.00 0.00 C ATOM 597 CG LEU A 36 2.792 -13.947 -1.281 1.00 0.00 C ATOM 598 CD1 LEU A 36 4.252 -14.172 -0.947 1.00 0.00 C ATOM 599 CD2 LEU A 36 1.985 -13.678 -0.020 1.00 0.00 C ATOM 0 H LEU A 36 1.569 -14.428 -3.744 1.00 0.00 H new ATOM 0 HA LEU A 36 0.539 -12.476 -2.008 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.338 -12.962 -3.098 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.977 -11.874 -1.772 1.00 0.00 H new ATOM 0 HG LEU A 36 2.397 -14.851 -1.745 1.00 0.00 H new ATOM 0 HD11 LEU A 36 4.341 -14.999 -0.243 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.801 -14.410 -1.858 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.666 -13.269 -0.499 1.00 0.00 H new ATOM 0 HD21 LEU A 36 2.097 -14.515 0.669 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.346 -12.766 0.455 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.933 -13.560 -0.280 1.00 0.00 H new ATOM 611 N ASN A 37 1.757 -11.370 -4.861 1.00 0.00 N ATOM 612 CA ASN A 37 1.845 -10.203 -5.733 1.00 0.00 C ATOM 613 C ASN A 37 0.469 -9.577 -5.938 1.00 0.00 C ATOM 614 O ASN A 37 0.297 -8.368 -5.790 1.00 0.00 O ATOM 615 CB ASN A 37 2.444 -10.597 -7.085 1.00 0.00 C ATOM 616 CG ASN A 37 2.813 -9.391 -7.929 1.00 0.00 C ATOM 617 OD1 ASN A 37 3.207 -8.350 -7.409 1.00 0.00 O ATOM 618 ND2 ASN A 37 2.684 -9.523 -9.239 1.00 0.00 N ATOM 0 H ASN A 37 2.126 -12.229 -5.269 1.00 0.00 H new ATOM 0 HA ASN A 37 2.493 -9.468 -5.256 1.00 0.00 H new ATOM 0 HB2 ASN A 37 3.332 -11.208 -6.922 1.00 0.00 H new ATOM 0 HB3 ASN A 37 1.729 -11.213 -7.630 1.00 0.00 H new ATOM 0 HD21 ASN A 37 2.915 -8.744 -9.855 1.00 0.00 H new ATOM 0 HD22 ASN A 37 2.354 -10.404 -9.633 1.00 0.00 H new ATOM 625 N GLN A 38 -0.513 -10.412 -6.258 1.00 0.00 N ATOM 626 CA GLN A 38 -1.875 -9.961 -6.437 1.00 0.00 C ATOM 627 C GLN A 38 -2.486 -9.510 -5.114 1.00 0.00 C ATOM 628 O GLN A 38 -3.253 -8.549 -5.078 1.00 0.00 O ATOM 629 CB GLN A 38 -2.695 -11.084 -7.050 1.00 0.00 C ATOM 630 CG GLN A 38 -3.088 -10.821 -8.490 1.00 0.00 C ATOM 631 CD GLN A 38 -4.142 -9.737 -8.617 1.00 0.00 C ATOM 632 OE1 GLN A 38 -3.829 -8.550 -8.722 1.00 0.00 O ATOM 633 NE2 GLN A 38 -5.401 -10.138 -8.630 1.00 0.00 N ATOM 0 H GLN A 38 -0.382 -11.414 -6.398 1.00 0.00 H new ATOM 0 HA GLN A 38 -1.877 -9.101 -7.106 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -2.124 -12.011 -7.000 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -3.597 -11.233 -6.456 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -2.204 -10.531 -9.057 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -3.464 -11.742 -8.935 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -5.621 -11.130 -8.541 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -6.153 -9.456 -8.730 1.00 0.00 H new ATOM 642 N GLU A 39 -2.140 -10.204 -4.035 1.00 0.00 N ATOM 643 CA GLU A 39 -2.639 -9.863 -2.705 1.00 0.00 C ATOM 644 C GLU A 39 -2.199 -8.448 -2.323 1.00 0.00 C ATOM 645 O GLU A 39 -2.963 -7.690 -1.727 1.00 0.00 O ATOM 646 CB GLU A 39 -2.133 -10.870 -1.666 1.00 0.00 C ATOM 647 CG GLU A 39 -2.746 -10.698 -0.282 1.00 0.00 C ATOM 648 CD GLU A 39 -4.220 -11.047 -0.246 1.00 0.00 C ATOM 649 OE1 GLU A 39 -5.052 -10.178 -0.571 1.00 0.00 O ATOM 650 OE2 GLU A 39 -4.554 -12.194 0.123 1.00 0.00 O ATOM 0 H GLU A 39 -1.514 -11.009 -4.055 1.00 0.00 H new ATOM 0 HA GLU A 39 -3.728 -9.902 -2.724 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -2.343 -11.879 -2.022 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -1.050 -10.779 -1.586 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -2.211 -11.328 0.428 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -2.613 -9.666 0.044 1.00 0.00 H new ATOM 657 N ILE A 40 -0.961 -8.102 -2.677 1.00 0.00 N ATOM 658 CA ILE A 40 -0.445 -6.757 -2.453 1.00 0.00 C ATOM 659 C ILE A 40 -1.301 -5.734 -3.199 1.00 0.00 C ATOM 660 O ILE A 40 -1.745 -4.745 -2.616 1.00 0.00 O ATOM 661 CB ILE A 40 1.030 -6.625 -2.899 1.00 0.00 C ATOM 662 CG1 ILE A 40 1.910 -7.602 -2.114 1.00 0.00 C ATOM 663 CG2 ILE A 40 1.521 -5.195 -2.705 1.00 0.00 C ATOM 664 CD1 ILE A 40 3.335 -7.666 -2.613 1.00 0.00 C ATOM 0 H ILE A 40 -0.298 -8.738 -3.121 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.491 -6.564 -1.381 1.00 0.00 H new ATOM 0 HB ILE A 40 1.095 -6.870 -3.959 1.00 0.00 H new ATOM 0 HG12 ILE A 40 1.914 -7.311 -1.064 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.470 -8.598 -2.167 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.561 -5.121 -3.024 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.910 -4.517 -3.300 1.00 0.00 H new ATOM 0 HG23 ILE A 40 1.444 -4.924 -1.652 1.00 0.00 H new ATOM 0 HD11 ILE A 40 3.900 -8.378 -2.011 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.342 -7.987 -3.655 1.00 0.00 H new ATOM 0 HD13 ILE A 40 3.793 -6.680 -2.534 1.00 0.00 H new ATOM 676 N VAL A 41 -1.549 -6.003 -4.481 1.00 0.00 N ATOM 677 CA VAL A 41 -2.395 -5.145 -5.308 1.00 0.00 C ATOM 678 C VAL A 41 -3.787 -5.020 -4.695 1.00 0.00 C ATOM 679 O VAL A 41 -4.368 -3.936 -4.656 1.00 0.00 O ATOM 680 CB VAL A 41 -2.523 -5.695 -6.746 1.00 0.00 C ATOM 681 CG1 VAL A 41 -3.395 -4.780 -7.595 1.00 0.00 C ATOM 682 CG2 VAL A 41 -1.151 -5.870 -7.381 1.00 0.00 C ATOM 0 H VAL A 41 -1.173 -6.814 -4.971 1.00 0.00 H new ATOM 0 HA VAL A 41 -1.921 -4.164 -5.350 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.001 -6.673 -6.695 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.473 -5.185 -8.604 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -4.389 -4.713 -7.154 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.948 -3.787 -7.636 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.265 -6.258 -8.393 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -0.641 -4.907 -7.417 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -0.562 -6.570 -6.788 1.00 0.00 H new ATOM 692 N LYS A 42 -4.307 -6.140 -4.212 1.00 0.00 N ATOM 693 CA LYS A 42 -5.614 -6.179 -3.574 1.00 0.00 C ATOM 694 C LYS A 42 -5.649 -5.308 -2.321 1.00 0.00 C ATOM 695 O LYS A 42 -6.603 -4.557 -2.111 1.00 0.00 O ATOM 696 CB LYS A 42 -5.986 -7.620 -3.231 1.00 0.00 C ATOM 697 CG LYS A 42 -6.362 -8.448 -4.450 1.00 0.00 C ATOM 698 CD LYS A 42 -6.324 -9.943 -4.167 1.00 0.00 C ATOM 699 CE LYS A 42 -7.153 -10.324 -2.950 1.00 0.00 C ATOM 700 NZ LYS A 42 -8.567 -9.881 -3.065 1.00 0.00 N ATOM 0 H LYS A 42 -3.836 -7.044 -4.251 1.00 0.00 H new ATOM 0 HA LYS A 42 -6.345 -5.779 -4.276 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -5.146 -8.094 -2.723 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -6.821 -7.616 -2.531 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -7.362 -8.169 -4.782 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -5.679 -8.218 -5.268 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -6.693 -10.484 -5.038 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -5.291 -10.254 -4.012 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -7.124 -11.406 -2.818 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -6.708 -9.882 -2.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -9.120 -10.279 -2.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -8.610 -8.843 -3.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -8.962 -10.211 -3.969 1.00 0.00 H new ATOM 714 N ALA A 43 -4.610 -5.409 -1.499 1.00 0.00 N ATOM 715 CA ALA A 43 -4.501 -4.597 -0.292 1.00 0.00 C ATOM 716 C ALA A 43 -4.422 -3.117 -0.645 1.00 0.00 C ATOM 717 O ALA A 43 -5.098 -2.285 -0.036 1.00 0.00 O ATOM 718 CB ALA A 43 -3.283 -5.014 0.518 1.00 0.00 C ATOM 0 H ALA A 43 -3.829 -6.048 -1.647 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.394 -4.758 0.312 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.215 -4.399 1.415 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -3.377 -6.062 0.802 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -2.383 -4.880 -0.083 1.00 0.00 H new ATOM 724 N GLU A 44 -3.599 -2.803 -1.643 1.00 0.00 N ATOM 725 CA GLU A 44 -3.467 -1.436 -2.133 1.00 0.00 C ATOM 726 C GLU A 44 -4.811 -0.915 -2.626 1.00 0.00 C ATOM 727 O GLU A 44 -5.257 0.156 -2.228 1.00 0.00 O ATOM 728 CB GLU A 44 -2.456 -1.391 -3.284 1.00 0.00 C ATOM 729 CG GLU A 44 -1.027 -1.708 -2.870 1.00 0.00 C ATOM 730 CD GLU A 44 -0.313 -0.521 -2.260 1.00 0.00 C ATOM 731 OE1 GLU A 44 -0.441 -0.282 -1.057 1.00 0.00 O ATOM 732 OE2 GLU A 44 0.414 0.186 -2.990 1.00 0.00 O ATOM 0 H GLU A 44 -3.012 -3.481 -2.129 1.00 0.00 H new ATOM 0 HA GLU A 44 -3.119 -0.808 -1.313 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -2.765 -2.099 -4.053 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -2.480 -0.399 -3.736 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -1.036 -2.528 -2.152 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.470 -2.052 -3.741 1.00 0.00 H new ATOM 739 N LYS A 45 -5.464 -1.714 -3.460 1.00 0.00 N ATOM 740 CA LYS A 45 -6.720 -1.325 -4.090 1.00 0.00 C ATOM 741 C LYS A 45 -7.806 -1.076 -3.046 1.00 0.00 C ATOM 742 O LYS A 45 -8.611 -0.151 -3.183 1.00 0.00 O ATOM 743 CB LYS A 45 -7.163 -2.416 -5.064 1.00 0.00 C ATOM 744 CG LYS A 45 -8.279 -1.992 -6.006 1.00 0.00 C ATOM 745 CD LYS A 45 -8.665 -3.118 -6.953 1.00 0.00 C ATOM 746 CE LYS A 45 -7.461 -3.638 -7.725 1.00 0.00 C ATOM 747 NZ LYS A 45 -7.842 -4.710 -8.678 1.00 0.00 N ATOM 0 H LYS A 45 -5.140 -2.646 -3.718 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.561 -0.394 -4.635 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -6.303 -2.731 -5.655 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -7.493 -3.284 -4.494 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -9.150 -1.688 -5.426 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -7.960 -1.123 -6.582 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -9.114 -3.933 -6.386 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -9.421 -2.762 -7.653 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -6.995 -2.816 -8.269 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -6.717 -4.020 -7.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -6.996 -5.040 -9.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -8.264 -5.504 -8.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -8.533 -4.338 -9.361 1.00 0.00 H new ATOM 761 N GLN A 46 -7.820 -1.910 -2.010 1.00 0.00 N ATOM 762 CA GLN A 46 -8.758 -1.746 -0.904 1.00 0.00 C ATOM 763 C GLN A 46 -8.580 -0.377 -0.263 1.00 0.00 C ATOM 764 O GLN A 46 -9.544 0.362 -0.054 1.00 0.00 O ATOM 765 CB GLN A 46 -8.516 -2.830 0.148 1.00 0.00 C ATOM 766 CG GLN A 46 -9.372 -2.682 1.398 1.00 0.00 C ATOM 767 CD GLN A 46 -10.832 -3.044 1.185 1.00 0.00 C ATOM 768 OE1 GLN A 46 -11.371 -2.913 0.085 1.00 0.00 O ATOM 769 NE2 GLN A 46 -11.484 -3.498 2.244 1.00 0.00 N ATOM 0 H GLN A 46 -7.191 -2.707 -1.913 1.00 0.00 H new ATOM 0 HA GLN A 46 -9.773 -1.833 -1.292 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -8.709 -3.805 -0.299 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -7.465 -2.814 0.436 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -8.961 -3.314 2.186 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -9.310 -1.652 1.750 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -11.002 -3.592 3.138 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -12.468 -3.754 2.166 1.00 0.00 H new ATOM 778 N GLY A 47 -7.330 -0.047 0.020 1.00 0.00 N ATOM 779 CA GLY A 47 -7.010 1.226 0.630 1.00 0.00 C ATOM 780 C GLY A 47 -7.279 2.390 -0.297 1.00 0.00 C ATOM 781 O GLY A 47 -7.758 3.438 0.140 1.00 0.00 O ATOM 0 H GLY A 47 -6.524 -0.644 -0.164 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.596 1.347 1.541 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -5.960 1.233 0.923 1.00 0.00 H new ATOM 785 N VAL A 48 -7.000 2.196 -1.583 1.00 0.00 N ATOM 786 CA VAL A 48 -7.149 3.256 -2.577 1.00 0.00 C ATOM 787 C VAL A 48 -8.565 3.821 -2.595 1.00 0.00 C ATOM 788 O VAL A 48 -8.744 5.039 -2.562 1.00 0.00 O ATOM 789 CB VAL A 48 -6.774 2.768 -3.996 1.00 0.00 C ATOM 790 CG1 VAL A 48 -7.202 3.778 -5.048 1.00 0.00 C ATOM 791 CG2 VAL A 48 -5.278 2.518 -4.098 1.00 0.00 C ATOM 0 H VAL A 48 -6.668 1.310 -1.963 1.00 0.00 H new ATOM 0 HA VAL A 48 -6.459 4.047 -2.283 1.00 0.00 H new ATOM 0 HB VAL A 48 -7.302 1.832 -4.178 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -6.927 3.412 -6.037 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -8.282 3.918 -5.000 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -6.704 4.730 -4.862 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -5.034 2.175 -5.104 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -4.740 3.442 -3.889 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -4.986 1.757 -3.375 1.00 0.00 H new ATOM 801 N LYS A 49 -9.574 2.956 -2.619 1.00 0.00 N ATOM 802 CA LYS A 49 -10.949 3.439 -2.676 1.00 0.00 C ATOM 803 C LYS A 49 -11.296 4.200 -1.400 1.00 0.00 C ATOM 804 O LYS A 49 -12.011 5.200 -1.440 1.00 0.00 O ATOM 805 CB LYS A 49 -11.952 2.307 -2.901 1.00 0.00 C ATOM 806 CG LYS A 49 -13.275 2.825 -3.452 1.00 0.00 C ATOM 807 CD LYS A 49 -14.335 1.743 -3.567 1.00 0.00 C ATOM 808 CE LYS A 49 -15.565 2.283 -4.282 1.00 0.00 C ATOM 809 NZ LYS A 49 -16.737 1.375 -4.175 1.00 0.00 N ATOM 0 H LYS A 49 -9.471 1.941 -2.600 1.00 0.00 H new ATOM 0 HA LYS A 49 -11.019 4.111 -3.531 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -11.530 1.579 -3.594 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -12.129 1.786 -1.960 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -13.645 3.621 -2.805 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -13.105 3.266 -4.434 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -13.935 0.889 -4.113 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -14.610 1.387 -2.574 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -15.825 3.256 -3.864 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -15.328 2.441 -5.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -17.546 1.791 -4.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -16.502 0.454 -4.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -16.984 1.243 -3.173 1.00 0.00 H new ATOM 823 N VAL A 50 -10.770 3.727 -0.278 1.00 0.00 N ATOM 824 CA VAL A 50 -10.965 4.401 0.998 1.00 0.00 C ATOM 825 C VAL A 50 -10.310 5.781 0.973 1.00 0.00 C ATOM 826 O VAL A 50 -10.886 6.756 1.449 1.00 0.00 O ATOM 827 CB VAL A 50 -10.397 3.572 2.171 1.00 0.00 C ATOM 828 CG1 VAL A 50 -10.628 4.277 3.499 1.00 0.00 C ATOM 829 CG2 VAL A 50 -11.013 2.180 2.186 1.00 0.00 C ATOM 0 H VAL A 50 -10.205 2.879 -0.226 1.00 0.00 H new ATOM 0 HA VAL A 50 -12.038 4.512 1.152 1.00 0.00 H new ATOM 0 HB VAL A 50 -9.321 3.472 2.027 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -10.219 3.672 4.308 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -10.134 5.248 3.486 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -11.698 4.416 3.656 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -10.602 1.609 3.019 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -12.094 2.262 2.301 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -10.785 1.671 1.249 1.00 0.00 H new ATOM 839 N TYR A 51 -9.112 5.861 0.400 1.00 0.00 N ATOM 840 CA TYR A 51 -8.437 7.144 0.225 1.00 0.00 C ATOM 841 C TYR A 51 -9.248 8.059 -0.693 1.00 0.00 C ATOM 842 O TYR A 51 -9.341 9.260 -0.455 1.00 0.00 O ATOM 843 CB TYR A 51 -7.026 6.959 -0.341 1.00 0.00 C ATOM 844 CG TYR A 51 -5.989 6.521 0.671 1.00 0.00 C ATOM 845 CD1 TYR A 51 -5.528 7.400 1.644 1.00 0.00 C ATOM 846 CD2 TYR A 51 -5.465 5.235 0.652 1.00 0.00 C ATOM 847 CE1 TYR A 51 -4.576 7.008 2.566 1.00 0.00 C ATOM 848 CE2 TYR A 51 -4.514 4.836 1.572 1.00 0.00 C ATOM 849 CZ TYR A 51 -4.074 5.727 2.526 1.00 0.00 C ATOM 850 OH TYR A 51 -3.127 5.335 3.442 1.00 0.00 O ATOM 0 H TYR A 51 -8.591 5.057 0.050 1.00 0.00 H new ATOM 0 HA TYR A 51 -8.354 7.608 1.208 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -7.065 6.222 -1.143 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -6.703 7.899 -0.788 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -5.920 8.406 1.680 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -5.807 4.534 -0.095 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -4.227 7.704 3.315 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -4.118 3.832 1.543 1.00 0.00 H new ATOM 0 HH TYR A 51 -2.363 4.939 2.973 1.00 0.00 H new ATOM 860 N LYS A 52 -9.834 7.485 -1.741 1.00 0.00 N ATOM 861 CA LYS A 52 -10.688 8.243 -2.654 1.00 0.00 C ATOM 862 C LYS A 52 -11.895 8.813 -1.914 1.00 0.00 C ATOM 863 O LYS A 52 -12.251 9.981 -2.094 1.00 0.00 O ATOM 864 CB LYS A 52 -11.150 7.360 -3.818 1.00 0.00 C ATOM 865 CG LYS A 52 -10.039 7.004 -4.796 1.00 0.00 C ATOM 866 CD LYS A 52 -10.529 6.062 -5.889 1.00 0.00 C ATOM 867 CE LYS A 52 -9.455 5.818 -6.941 1.00 0.00 C ATOM 868 NZ LYS A 52 -9.900 4.853 -7.983 1.00 0.00 N ATOM 0 H LYS A 52 -9.734 6.498 -1.980 1.00 0.00 H new ATOM 0 HA LYS A 52 -10.104 9.071 -3.056 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -11.577 6.441 -3.417 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -11.946 7.873 -4.358 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -9.648 7.915 -5.249 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -9.215 6.537 -4.256 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -10.827 5.112 -5.445 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -11.415 6.484 -6.364 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -9.190 6.764 -7.413 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -8.554 5.439 -6.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -9.138 4.717 -8.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -10.129 3.942 -7.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -10.744 5.225 -8.463 1.00 0.00 H new ATOM 882 N GLU A 53 -12.508 7.991 -1.073 1.00 0.00 N ATOM 883 CA GLU A 53 -13.621 8.422 -0.244 1.00 0.00 C ATOM 884 C GLU A 53 -13.164 9.452 0.786 1.00 0.00 C ATOM 885 O GLU A 53 -13.873 10.416 1.075 1.00 0.00 O ATOM 886 CB GLU A 53 -14.241 7.209 0.448 1.00 0.00 C ATOM 887 CG GLU A 53 -15.237 6.450 -0.416 1.00 0.00 C ATOM 888 CD GLU A 53 -16.419 7.304 -0.841 1.00 0.00 C ATOM 889 OE1 GLU A 53 -17.397 7.407 -0.069 1.00 0.00 O ATOM 890 OE2 GLU A 53 -16.383 7.868 -1.956 1.00 0.00 O ATOM 0 H GLU A 53 -12.248 7.013 -0.948 1.00 0.00 H new ATOM 0 HA GLU A 53 -14.371 8.895 -0.878 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -13.445 6.529 0.750 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -14.742 7.539 1.358 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -14.728 6.074 -1.304 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -15.601 5.582 0.134 1.00 0.00 H new ATOM 897 N ALA A 54 -11.970 9.252 1.323 1.00 0.00 N ATOM 898 CA ALA A 54 -11.398 10.177 2.290 1.00 0.00 C ATOM 899 C ALA A 54 -11.098 11.528 1.646 1.00 0.00 C ATOM 900 O ALA A 54 -11.216 12.568 2.285 1.00 0.00 O ATOM 901 CB ALA A 54 -10.138 9.593 2.905 1.00 0.00 C ATOM 0 H ALA A 54 -11.375 8.453 1.104 1.00 0.00 H new ATOM 0 HA ALA A 54 -12.132 10.334 3.080 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -9.724 10.298 3.626 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -10.379 8.658 3.410 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -9.405 9.403 2.121 1.00 0.00 H new ATOM 907 N ALA A 55 -10.708 11.501 0.378 1.00 0.00 N ATOM 908 CA ALA A 55 -10.458 12.723 -0.377 1.00 0.00 C ATOM 909 C ALA A 55 -11.746 13.526 -0.544 1.00 0.00 C ATOM 910 O ALA A 55 -11.731 14.756 -0.559 1.00 0.00 O ATOM 911 CB ALA A 55 -9.849 12.395 -1.732 1.00 0.00 C ATOM 0 H ALA A 55 -10.557 10.642 -0.151 1.00 0.00 H new ATOM 0 HA ALA A 55 -9.747 13.333 0.180 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -9.669 13.318 -2.283 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.906 11.868 -1.589 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -10.536 11.764 -2.296 1.00 0.00 H new ATOM 917 N GLU A 56 -12.862 12.817 -0.665 1.00 0.00 N ATOM 918 CA GLU A 56 -14.169 13.453 -0.755 1.00 0.00 C ATOM 919 C GLU A 56 -14.588 13.987 0.610 1.00 0.00 C ATOM 920 O GLU A 56 -15.288 14.998 0.712 1.00 0.00 O ATOM 921 CB GLU A 56 -15.210 12.457 -1.262 1.00 0.00 C ATOM 922 CG GLU A 56 -14.926 11.931 -2.658 1.00 0.00 C ATOM 923 CD GLU A 56 -14.948 13.021 -3.708 1.00 0.00 C ATOM 924 OE1 GLU A 56 -16.049 13.427 -4.128 1.00 0.00 O ATOM 925 OE2 GLU A 56 -13.866 13.478 -4.118 1.00 0.00 O ATOM 0 H GLU A 56 -12.887 11.798 -0.703 1.00 0.00 H new ATOM 0 HA GLU A 56 -14.103 14.283 -1.458 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -15.262 11.616 -0.570 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -16.190 12.935 -1.256 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -13.951 11.443 -2.667 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -15.665 11.171 -2.913 1.00 0.00 H new ATOM 932 N LYS A 57 -14.148 13.297 1.655 1.00 0.00 N ATOM 933 CA LYS A 57 -14.428 13.696 3.028 1.00 0.00 C ATOM 934 C LYS A 57 -13.461 14.774 3.500 1.00 0.00 C ATOM 935 O LYS A 57 -13.565 15.264 4.627 1.00 0.00 O ATOM 936 CB LYS A 57 -14.351 12.486 3.960 1.00 0.00 C ATOM 937 CG LYS A 57 -15.567 11.580 3.888 1.00 0.00 C ATOM 938 CD LYS A 57 -16.803 12.284 4.425 1.00 0.00 C ATOM 939 CE LYS A 57 -18.043 11.416 4.301 1.00 0.00 C ATOM 940 NZ LYS A 57 -19.252 12.110 4.816 1.00 0.00 N ATOM 0 H LYS A 57 -13.589 12.448 1.575 1.00 0.00 H new ATOM 0 HA LYS A 57 -15.437 14.107 3.055 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -13.462 11.906 3.714 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -14.230 12.836 4.985 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -15.737 11.275 2.855 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -15.383 10.672 4.462 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -16.646 12.547 5.471 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -16.956 13.216 3.881 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -18.195 11.146 3.256 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -17.894 10.487 4.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -20.079 11.487 4.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -19.116 12.345 5.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -19.408 12.984 4.274 1.00 0.00 H new ATOM 954 N ALA A 58 -12.520 15.136 2.641 1.00 0.00 N ATOM 955 CA ALA A 58 -11.563 16.175 2.962 1.00 0.00 C ATOM 956 C ALA A 58 -12.248 17.533 3.010 1.00 0.00 C ATOM 957 O ALA A 58 -12.676 18.067 1.987 1.00 0.00 O ATOM 958 CB ALA A 58 -10.419 16.183 1.956 1.00 0.00 C ATOM 0 H ALA A 58 -12.402 14.723 1.716 1.00 0.00 H new ATOM 0 HA ALA A 58 -11.146 15.966 3.947 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -9.712 16.971 2.216 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -9.911 15.219 1.975 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -10.814 16.365 0.957 1.00 0.00 H new ATOM 964 N ARG A 59 -12.348 18.078 4.213 1.00 0.00 N ATOM 965 CA ARG A 59 -12.988 19.370 4.438 1.00 0.00 C ATOM 966 C ARG A 59 -12.007 20.512 4.166 1.00 0.00 C ATOM 967 O ARG A 59 -12.197 21.637 4.621 1.00 0.00 O ATOM 968 CB ARG A 59 -13.499 19.432 5.880 1.00 0.00 C ATOM 969 CG ARG A 59 -12.392 19.319 6.923 1.00 0.00 C ATOM 970 CD ARG A 59 -12.860 18.593 8.175 1.00 0.00 C ATOM 971 NE ARG A 59 -13.975 19.265 8.842 1.00 0.00 N ATOM 972 CZ ARG A 59 -14.879 18.624 9.585 1.00 0.00 C ATOM 973 NH1 ARG A 59 -14.868 17.299 9.653 1.00 0.00 N ATOM 974 NH2 ARG A 59 -15.817 19.299 10.235 1.00 0.00 N ATOM 0 H ARG A 59 -11.989 17.640 5.061 1.00 0.00 H new ATOM 0 HA ARG A 59 -13.828 19.481 3.752 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -14.032 20.371 6.028 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -14.219 18.629 6.037 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -11.542 18.789 6.493 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -12.044 20.316 7.191 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -13.160 17.579 7.910 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -12.026 18.507 8.871 1.00 0.00 H new ATOM 0 HE ARG A 59 -14.066 20.275 8.734 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -14.167 16.768 9.136 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -15.560 16.812 10.222 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -15.851 20.316 10.169 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -16.504 18.801 10.801 1.00 0.00 H new ATOM 988 N ASN A 60 -10.964 20.202 3.409 1.00 0.00 N ATOM 989 CA ASN A 60 -9.907 21.154 3.107 1.00 0.00 C ATOM 990 C ASN A 60 -9.070 20.638 1.936 1.00 0.00 C ATOM 991 O ASN A 60 -8.590 19.503 1.966 1.00 0.00 O ATOM 992 CB ASN A 60 -9.036 21.383 4.351 1.00 0.00 C ATOM 993 CG ASN A 60 -7.754 22.132 4.052 1.00 0.00 C ATOM 994 OD1 ASN A 60 -6.727 21.519 3.780 1.00 0.00 O ATOM 995 ND2 ASN A 60 -7.795 23.455 4.105 1.00 0.00 N ATOM 0 H ASN A 60 -10.828 19.283 2.987 1.00 0.00 H new ATOM 0 HA ASN A 60 -10.347 22.110 2.821 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -9.610 21.940 5.091 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -8.791 20.419 4.797 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -6.953 23.999 3.916 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -8.668 23.929 4.335 1.00 0.00 H new ATOM 1002 N PRO A 61 -8.906 21.457 0.883 1.00 0.00 N ATOM 1003 CA PRO A 61 -8.199 21.058 -0.348 1.00 0.00 C ATOM 1004 C PRO A 61 -6.743 20.659 -0.104 1.00 0.00 C ATOM 1005 O PRO A 61 -6.240 19.720 -0.720 1.00 0.00 O ATOM 1006 CB PRO A 61 -8.268 22.311 -1.232 1.00 0.00 C ATOM 1007 CG PRO A 61 -8.584 23.434 -0.305 1.00 0.00 C ATOM 1008 CD PRO A 61 -9.411 22.836 0.796 1.00 0.00 C ATOM 0 HA PRO A 61 -8.656 20.175 -0.795 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -7.322 22.481 -1.747 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -9.035 22.208 -2.000 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -7.673 23.883 0.090 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -9.131 24.224 -0.820 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -9.280 23.373 1.735 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -10.475 22.861 0.560 1.00 0.00 H new ATOM 1016 N GLU A 62 -6.080 21.365 0.806 1.00 0.00 N ATOM 1017 CA GLU A 62 -4.694 21.107 1.136 1.00 0.00 C ATOM 1018 C GLU A 62 -4.538 19.702 1.705 1.00 0.00 C ATOM 1019 O GLU A 62 -3.623 18.959 1.344 1.00 0.00 O ATOM 1020 CB GLU A 62 -4.258 22.133 2.167 1.00 0.00 C ATOM 1021 CG GLU A 62 -4.455 23.572 1.718 1.00 0.00 C ATOM 1022 CD GLU A 62 -4.307 24.559 2.856 1.00 0.00 C ATOM 1023 OE1 GLU A 62 -5.291 24.765 3.599 1.00 0.00 O ATOM 1024 OE2 GLU A 62 -3.210 25.131 3.015 1.00 0.00 O ATOM 0 H GLU A 62 -6.495 22.133 1.334 1.00 0.00 H new ATOM 0 HA GLU A 62 -4.077 21.181 0.240 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -4.817 21.969 3.088 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -3.205 21.975 2.401 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -3.730 23.809 0.939 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -5.445 23.679 1.275 1.00 0.00 H new ATOM 1031 N LYS A 63 -5.459 19.355 2.592 1.00 0.00 N ATOM 1032 CA LYS A 63 -5.526 18.022 3.180 1.00 0.00 C ATOM 1033 C LYS A 63 -5.770 16.982 2.089 1.00 0.00 C ATOM 1034 O LYS A 63 -5.200 15.891 2.116 1.00 0.00 O ATOM 1035 CB LYS A 63 -6.663 17.965 4.210 1.00 0.00 C ATOM 1036 CG LYS A 63 -6.275 17.363 5.554 1.00 0.00 C ATOM 1037 CD LYS A 63 -5.843 15.912 5.434 1.00 0.00 C ATOM 1038 CE LYS A 63 -5.604 15.296 6.803 1.00 0.00 C ATOM 1039 NZ LYS A 63 -5.032 13.930 6.707 1.00 0.00 N ATOM 0 H LYS A 63 -6.184 19.990 2.926 1.00 0.00 H new ATOM 0 HA LYS A 63 -4.579 17.805 3.675 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -7.037 18.976 4.374 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.485 17.385 3.791 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -5.464 17.946 5.990 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -7.121 17.432 6.238 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -6.609 15.344 4.905 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -4.932 15.849 4.839 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -4.928 15.933 7.374 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -6.545 15.257 7.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -4.885 13.547 7.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -5.688 13.315 6.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -4.121 13.969 6.206 1.00 0.00 H new ATOM 1053 N ARG A 64 -6.615 17.334 1.125 1.00 0.00 N ATOM 1054 CA ARG A 64 -6.936 16.425 0.037 1.00 0.00 C ATOM 1055 C ARG A 64 -5.716 16.172 -0.839 1.00 0.00 C ATOM 1056 O ARG A 64 -5.519 15.062 -1.317 1.00 0.00 O ATOM 1057 CB ARG A 64 -8.081 16.962 -0.826 1.00 0.00 C ATOM 1058 CG ARG A 64 -8.428 16.020 -1.966 1.00 0.00 C ATOM 1059 CD ARG A 64 -9.561 16.531 -2.832 1.00 0.00 C ATOM 1060 NE ARG A 64 -9.790 15.627 -3.960 1.00 0.00 N ATOM 1061 CZ ARG A 64 -10.933 14.993 -4.193 1.00 0.00 C ATOM 1062 NH1 ARG A 64 -11.990 15.201 -3.421 1.00 0.00 N ATOM 1063 NH2 ARG A 64 -11.014 14.135 -5.199 1.00 0.00 N ATOM 0 H ARG A 64 -7.086 18.237 1.077 1.00 0.00 H new ATOM 0 HA ARG A 64 -7.254 15.486 0.490 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -8.962 17.117 -0.203 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -7.803 17.935 -1.232 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -7.544 15.868 -2.586 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -8.701 15.048 -1.556 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -10.470 16.618 -2.238 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -9.324 17.529 -3.200 1.00 0.00 H new ATOM 0 HE ARG A 64 -9.020 15.474 -4.611 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -11.930 15.853 -2.639 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -12.863 14.709 -3.609 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -10.201 13.964 -5.790 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -11.890 13.645 -5.382 1.00 0.00 H new ATOM 1077 N GLN A 65 -4.898 17.203 -1.039 1.00 0.00 N ATOM 1078 CA GLN A 65 -3.701 17.088 -1.870 1.00 0.00 C ATOM 1079 C GLN A 65 -2.792 15.988 -1.340 1.00 0.00 C ATOM 1080 O GLN A 65 -2.242 15.198 -2.110 1.00 0.00 O ATOM 1081 CB GLN A 65 -2.952 18.425 -1.922 1.00 0.00 C ATOM 1082 CG GLN A 65 -1.921 18.521 -3.043 1.00 0.00 C ATOM 1083 CD GLN A 65 -0.500 18.196 -2.600 1.00 0.00 C ATOM 1084 OE1 GLN A 65 -0.282 17.433 -1.663 1.00 0.00 O ATOM 1085 NE2 GLN A 65 0.478 18.778 -3.277 1.00 0.00 N ATOM 0 H GLN A 65 -5.042 18.129 -0.636 1.00 0.00 H new ATOM 0 HA GLN A 65 -4.007 16.826 -2.883 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -3.677 19.230 -2.040 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -2.450 18.585 -0.968 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -2.206 17.841 -3.846 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -1.941 19.529 -3.457 1.00 0.00 H new ATOM 0 HE21 GLN A 65 0.259 19.406 -4.050 1.00 0.00 H new ATOM 0 HE22 GLN A 65 1.450 18.598 -3.025 1.00 0.00 H new ATOM 1094 N VAL A 66 -2.658 15.939 -0.024 1.00 0.00 N ATOM 1095 CA VAL A 66 -1.860 14.913 0.634 1.00 0.00 C ATOM 1096 C VAL A 66 -2.410 13.523 0.313 1.00 0.00 C ATOM 1097 O VAL A 66 -1.678 12.638 -0.134 1.00 0.00 O ATOM 1098 CB VAL A 66 -1.843 15.122 2.165 1.00 0.00 C ATOM 1099 CG1 VAL A 66 -1.011 14.048 2.852 1.00 0.00 C ATOM 1100 CG2 VAL A 66 -1.317 16.510 2.507 1.00 0.00 C ATOM 0 H VAL A 66 -3.095 16.603 0.615 1.00 0.00 H new ATOM 0 HA VAL A 66 -0.839 14.992 0.259 1.00 0.00 H new ATOM 0 HB VAL A 66 -2.866 15.040 2.531 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -1.015 14.218 3.929 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -1.435 13.067 2.638 1.00 0.00 H new ATOM 0 HG13 VAL A 66 0.013 14.089 2.482 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -1.312 16.641 3.589 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -0.303 16.619 2.123 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -1.960 17.265 2.054 1.00 0.00 H new ATOM 1110 N ILE A 67 -3.712 13.355 0.519 1.00 0.00 N ATOM 1111 CA ILE A 67 -4.389 12.094 0.230 1.00 0.00 C ATOM 1112 C ILE A 67 -4.279 11.755 -1.257 1.00 0.00 C ATOM 1113 O ILE A 67 -4.033 10.611 -1.632 1.00 0.00 O ATOM 1114 CB ILE A 67 -5.882 12.163 0.624 1.00 0.00 C ATOM 1115 CG1 ILE A 67 -6.024 12.569 2.096 1.00 0.00 C ATOM 1116 CG2 ILE A 67 -6.559 10.824 0.375 1.00 0.00 C ATOM 1117 CD1 ILE A 67 -7.458 12.775 2.539 1.00 0.00 C ATOM 0 H ILE A 67 -4.324 14.082 0.888 1.00 0.00 H new ATOM 0 HA ILE A 67 -3.902 11.317 0.818 1.00 0.00 H new ATOM 0 HB ILE A 67 -6.371 12.917 0.006 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -5.568 11.801 2.720 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -5.466 13.490 2.264 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -7.610 10.889 0.658 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -6.483 10.569 -0.682 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -6.070 10.053 0.971 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -7.476 13.060 3.591 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -7.914 13.564 1.941 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -8.017 11.849 2.404 1.00 0.00 H new ATOM 1129 N ASP A 68 -4.459 12.774 -2.084 1.00 0.00 N ATOM 1130 CA ASP A 68 -4.386 12.649 -3.539 1.00 0.00 C ATOM 1131 C ASP A 68 -3.008 12.162 -3.973 1.00 0.00 C ATOM 1132 O ASP A 68 -2.888 11.289 -4.833 1.00 0.00 O ATOM 1133 CB ASP A 68 -4.685 14.010 -4.177 1.00 0.00 C ATOM 1134 CG ASP A 68 -4.748 13.971 -5.690 1.00 0.00 C ATOM 1135 OD1 ASP A 68 -3.680 13.958 -6.333 1.00 0.00 O ATOM 1136 OD2 ASP A 68 -5.871 13.995 -6.241 1.00 0.00 O ATOM 0 H ASP A 68 -4.662 13.721 -1.765 1.00 0.00 H new ATOM 0 HA ASP A 68 -5.123 11.917 -3.868 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -5.635 14.381 -3.792 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -3.917 14.721 -3.872 1.00 0.00 H new ATOM 1141 N LYS A 69 -1.970 12.730 -3.371 1.00 0.00 N ATOM 1142 CA LYS A 69 -0.599 12.316 -3.657 1.00 0.00 C ATOM 1143 C LYS A 69 -0.406 10.845 -3.304 1.00 0.00 C ATOM 1144 O LYS A 69 0.180 10.087 -4.078 1.00 0.00 O ATOM 1145 CB LYS A 69 0.406 13.180 -2.887 1.00 0.00 C ATOM 1146 CG LYS A 69 1.871 12.895 -3.216 1.00 0.00 C ATOM 1147 CD LYS A 69 2.275 13.427 -4.593 1.00 0.00 C ATOM 1148 CE LYS A 69 1.847 12.506 -5.729 1.00 0.00 C ATOM 1149 NZ LYS A 69 2.607 11.225 -5.735 1.00 0.00 N ATOM 0 H LYS A 69 -2.050 13.478 -2.682 1.00 0.00 H new ATOM 0 HA LYS A 69 -0.419 12.451 -4.724 1.00 0.00 H new ATOM 0 HB2 LYS A 69 0.198 14.230 -3.095 1.00 0.00 H new ATOM 0 HB3 LYS A 69 0.251 13.030 -1.819 1.00 0.00 H new ATOM 0 HG2 LYS A 69 2.506 13.347 -2.454 1.00 0.00 H new ATOM 0 HG3 LYS A 69 2.046 11.820 -3.179 1.00 0.00 H new ATOM 0 HD2 LYS A 69 1.831 14.411 -4.742 1.00 0.00 H new ATOM 0 HD3 LYS A 69 3.357 13.557 -4.624 1.00 0.00 H new ATOM 0 HE2 LYS A 69 0.782 12.293 -5.640 1.00 0.00 H new ATOM 0 HE3 LYS A 69 1.991 13.016 -6.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 2.203 10.585 -6.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 3.604 11.414 -5.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 2.546 10.781 -4.797 1.00 0.00 H new ATOM 1163 N ILE A 70 -0.917 10.452 -2.142 1.00 0.00 N ATOM 1164 CA ILE A 70 -0.862 9.060 -1.711 1.00 0.00 C ATOM 1165 C ILE A 70 -1.621 8.176 -2.697 1.00 0.00 C ATOM 1166 O ILE A 70 -1.150 7.109 -3.082 1.00 0.00 O ATOM 1167 CB ILE A 70 -1.452 8.881 -0.292 1.00 0.00 C ATOM 1168 CG1 ILE A 70 -0.672 9.722 0.722 1.00 0.00 C ATOM 1169 CG2 ILE A 70 -1.440 7.415 0.116 1.00 0.00 C ATOM 1170 CD1 ILE A 70 -1.249 9.685 2.122 1.00 0.00 C ATOM 0 H ILE A 70 -1.375 11.079 -1.481 1.00 0.00 H new ATOM 0 HA ILE A 70 0.186 8.763 -1.683 1.00 0.00 H new ATOM 0 HB ILE A 70 -2.486 9.224 -0.307 1.00 0.00 H new ATOM 0 HG12 ILE A 70 0.359 9.370 0.755 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -0.645 10.756 0.378 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -1.859 7.312 1.117 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -2.037 6.836 -0.589 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -0.415 7.045 0.112 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -0.642 10.304 2.782 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -2.270 10.066 2.105 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -1.251 8.658 2.488 1.00 0.00 H new ATOM 1182 N LEU A 71 -2.786 8.655 -3.119 1.00 0.00 N ATOM 1183 CA LEU A 71 -3.615 7.957 -4.085 1.00 0.00 C ATOM 1184 C LEU A 71 -2.848 7.679 -5.371 1.00 0.00 C ATOM 1185 O LEU A 71 -2.854 6.559 -5.885 1.00 0.00 O ATOM 1186 CB LEU A 71 -4.846 8.812 -4.388 1.00 0.00 C ATOM 1187 CG LEU A 71 -6.048 8.572 -3.480 1.00 0.00 C ATOM 1188 CD1 LEU A 71 -7.149 9.581 -3.767 1.00 0.00 C ATOM 1189 CD2 LEU A 71 -6.559 7.156 -3.666 1.00 0.00 C ATOM 0 H LEU A 71 -3.180 9.540 -2.798 1.00 0.00 H new ATOM 0 HA LEU A 71 -3.917 6.998 -3.663 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.564 9.863 -4.319 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.149 8.630 -5.419 1.00 0.00 H new ATOM 0 HG LEU A 71 -5.736 8.701 -2.444 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.997 9.392 -3.108 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -6.773 10.589 -3.594 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -7.468 9.486 -4.805 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -7.417 6.991 -3.015 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.858 7.010 -4.704 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -5.770 6.448 -3.413 1.00 0.00 H new ATOM 1201 N GLU A 72 -2.187 8.708 -5.875 1.00 0.00 N ATOM 1202 CA GLU A 72 -1.407 8.611 -7.100 1.00 0.00 C ATOM 1203 C GLU A 72 -0.273 7.605 -6.933 1.00 0.00 C ATOM 1204 O GLU A 72 -0.029 6.782 -7.818 1.00 0.00 O ATOM 1205 CB GLU A 72 -0.861 9.997 -7.456 1.00 0.00 C ATOM 1206 CG GLU A 72 -0.232 10.108 -8.839 1.00 0.00 C ATOM 1207 CD GLU A 72 1.247 9.774 -8.855 1.00 0.00 C ATOM 1208 OE1 GLU A 72 1.874 9.748 -7.777 1.00 0.00 O ATOM 1209 OE2 GLU A 72 1.798 9.569 -9.956 1.00 0.00 O ATOM 0 H GLU A 72 -2.175 9.634 -5.448 1.00 0.00 H new ATOM 0 HA GLU A 72 -2.044 8.259 -7.911 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -1.674 10.720 -7.384 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -0.117 10.279 -6.712 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -0.755 9.440 -9.523 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -0.372 11.122 -9.214 1.00 0.00 H new ATOM 1216 N ASP A 73 0.413 7.673 -5.800 1.00 0.00 N ATOM 1217 CA ASP A 73 1.517 6.755 -5.526 1.00 0.00 C ATOM 1218 C ASP A 73 1.029 5.316 -5.391 1.00 0.00 C ATOM 1219 O ASP A 73 1.651 4.400 -5.918 1.00 0.00 O ATOM 1220 CB ASP A 73 2.306 7.165 -4.276 1.00 0.00 C ATOM 1221 CG ASP A 73 3.268 8.311 -4.547 1.00 0.00 C ATOM 1222 OD1 ASP A 73 4.162 8.155 -5.413 1.00 0.00 O ATOM 1223 OD2 ASP A 73 3.137 9.377 -3.908 1.00 0.00 O ATOM 0 H ASP A 73 0.228 8.349 -5.058 1.00 0.00 H new ATOM 0 HA ASP A 73 2.188 6.812 -6.383 1.00 0.00 H new ATOM 0 HB2 ASP A 73 1.610 7.457 -3.490 1.00 0.00 H new ATOM 0 HB3 ASP A 73 2.864 6.306 -3.904 1.00 0.00 H new ATOM 1228 N GLU A 74 -0.092 5.110 -4.707 1.00 0.00 N ATOM 1229 CA GLU A 74 -0.645 3.766 -4.554 1.00 0.00 C ATOM 1230 C GLU A 74 -1.107 3.223 -5.907 1.00 0.00 C ATOM 1231 O GLU A 74 -0.840 2.068 -6.239 1.00 0.00 O ATOM 1232 CB GLU A 74 -1.798 3.753 -3.545 1.00 0.00 C ATOM 1233 CG GLU A 74 -1.409 4.221 -2.144 1.00 0.00 C ATOM 1234 CD GLU A 74 -0.431 3.301 -1.427 1.00 0.00 C ATOM 1235 OE1 GLU A 74 0.321 2.554 -2.094 1.00 0.00 O ATOM 1236 OE2 GLU A 74 -0.385 3.344 -0.174 1.00 0.00 O ATOM 0 H GLU A 74 -0.632 5.847 -4.254 1.00 0.00 H new ATOM 0 HA GLU A 74 0.142 3.118 -4.169 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -2.600 4.389 -3.919 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -2.198 2.741 -3.480 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -0.969 5.216 -2.215 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -2.312 4.314 -1.541 1.00 0.00 H new ATOM 1243 N GLU A 75 -1.775 4.069 -6.692 1.00 0.00 N ATOM 1244 CA GLU A 75 -2.164 3.713 -8.055 1.00 0.00 C ATOM 1245 C GLU A 75 -0.927 3.359 -8.882 1.00 0.00 C ATOM 1246 O GLU A 75 -0.962 2.484 -9.750 1.00 0.00 O ATOM 1247 CB GLU A 75 -2.922 4.874 -8.719 1.00 0.00 C ATOM 1248 CG GLU A 75 -4.411 4.940 -8.377 1.00 0.00 C ATOM 1249 CD GLU A 75 -5.130 3.608 -8.524 1.00 0.00 C ATOM 1250 OE1 GLU A 75 -4.612 2.716 -9.227 1.00 0.00 O ATOM 1251 OE2 GLU A 75 -6.167 3.425 -7.863 1.00 0.00 O ATOM 0 H GLU A 75 -2.058 5.006 -6.406 1.00 0.00 H new ATOM 0 HA GLU A 75 -2.822 2.845 -8.010 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -2.453 5.813 -8.424 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -2.814 4.790 -9.800 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -4.524 5.293 -7.352 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -4.891 5.676 -9.022 1.00 0.00 H new ATOM 1258 N LYS A 76 0.162 4.057 -8.595 1.00 0.00 N ATOM 1259 CA LYS A 76 1.441 3.839 -9.256 1.00 0.00 C ATOM 1260 C LYS A 76 2.015 2.478 -8.868 1.00 0.00 C ATOM 1261 O LYS A 76 2.498 1.726 -9.715 1.00 0.00 O ATOM 1262 CB LYS A 76 2.400 4.958 -8.853 1.00 0.00 C ATOM 1263 CG LYS A 76 3.756 4.928 -9.534 1.00 0.00 C ATOM 1264 CD LYS A 76 4.677 5.972 -8.919 1.00 0.00 C ATOM 1265 CE LYS A 76 4.056 7.362 -8.975 1.00 0.00 C ATOM 1266 NZ LYS A 76 4.754 8.322 -8.083 1.00 0.00 N ATOM 0 H LYS A 76 0.183 4.796 -7.892 1.00 0.00 H new ATOM 0 HA LYS A 76 1.302 3.849 -10.337 1.00 0.00 H new ATOM 0 HB2 LYS A 76 1.925 5.915 -9.068 1.00 0.00 H new ATOM 0 HB3 LYS A 76 2.552 4.912 -7.775 1.00 0.00 H new ATOM 0 HG2 LYS A 76 4.199 3.937 -9.434 1.00 0.00 H new ATOM 0 HG3 LYS A 76 3.639 5.119 -10.601 1.00 0.00 H new ATOM 0 HD2 LYS A 76 4.889 5.708 -7.883 1.00 0.00 H new ATOM 0 HD3 LYS A 76 5.630 5.976 -9.448 1.00 0.00 H new ATOM 0 HE2 LYS A 76 4.087 7.732 -10.000 1.00 0.00 H new ATOM 0 HE3 LYS A 76 3.006 7.301 -8.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 4.401 9.283 -8.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 4.574 8.068 -7.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 5.777 8.288 -8.269 1.00 0.00 H new ATOM 1280 N HIS A 77 1.943 2.170 -7.575 1.00 0.00 N ATOM 1281 CA HIS A 77 2.437 0.901 -7.048 1.00 0.00 C ATOM 1282 C HIS A 77 1.733 -0.274 -7.719 1.00 0.00 C ATOM 1283 O HIS A 77 2.368 -1.260 -8.097 1.00 0.00 O ATOM 1284 CB HIS A 77 2.221 0.827 -5.530 1.00 0.00 C ATOM 1285 CG HIS A 77 3.004 1.834 -4.741 1.00 0.00 C ATOM 1286 ND1 HIS A 77 2.714 2.095 -3.417 1.00 0.00 N ATOM 1287 CD2 HIS A 77 4.052 2.603 -5.125 1.00 0.00 C ATOM 1288 CE1 HIS A 77 3.598 3.011 -3.036 1.00 0.00 C ATOM 1289 NE2 HIS A 77 4.422 3.347 -4.034 1.00 0.00 N ATOM 0 H HIS A 77 1.544 2.788 -6.868 1.00 0.00 H new ATOM 0 HA HIS A 77 3.504 0.844 -7.261 1.00 0.00 H new ATOM 0 HB2 HIS A 77 1.160 0.964 -5.319 1.00 0.00 H new ATOM 0 HB3 HIS A 77 2.488 -0.172 -5.186 1.00 0.00 H new ATOM 0 HD1 HIS A 77 1.977 1.674 -2.851 1.00 0.00 H new ATOM 0 HD2 HIS A 77 4.509 2.626 -6.103 1.00 0.00 H new ATOM 0 HE1 HIS A 77 3.645 3.432 -2.043 1.00 0.00 H new ATOM 1297 N ILE A 78 0.421 -0.146 -7.876 1.00 0.00 N ATOM 1298 CA ILE A 78 -0.391 -1.177 -8.513 1.00 0.00 C ATOM 1299 C ILE A 78 0.129 -1.494 -9.914 1.00 0.00 C ATOM 1300 O ILE A 78 0.217 -2.660 -10.306 1.00 0.00 O ATOM 1301 CB ILE A 78 -1.874 -0.743 -8.594 1.00 0.00 C ATOM 1302 CG1 ILE A 78 -2.448 -0.569 -7.183 1.00 0.00 C ATOM 1303 CG2 ILE A 78 -2.696 -1.755 -9.385 1.00 0.00 C ATOM 1304 CD1 ILE A 78 -3.883 -0.088 -7.161 1.00 0.00 C ATOM 0 H ILE A 78 -0.108 0.670 -7.568 1.00 0.00 H new ATOM 0 HA ILE A 78 -0.320 -2.075 -7.899 1.00 0.00 H new ATOM 0 HB ILE A 78 -1.926 0.212 -9.116 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -2.386 -1.521 -6.656 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -1.829 0.140 -6.634 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -3.735 -1.427 -9.427 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -2.299 -1.835 -10.397 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -2.643 -2.728 -8.897 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -4.218 0.011 -6.128 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -3.950 0.880 -7.658 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -4.516 -0.808 -7.680 1.00 0.00 H new ATOM 1316 N GLU A 79 0.508 -0.455 -10.651 1.00 0.00 N ATOM 1317 CA GLU A 79 0.983 -0.616 -12.009 1.00 0.00 C ATOM 1318 C GLU A 79 2.286 -1.417 -12.041 1.00 0.00 C ATOM 1319 O GLU A 79 2.478 -2.265 -12.919 1.00 0.00 O ATOM 1320 CB GLU A 79 1.165 0.747 -12.674 1.00 0.00 C ATOM 1321 CG GLU A 79 1.453 0.638 -14.154 1.00 0.00 C ATOM 1322 CD GLU A 79 1.472 1.979 -14.859 1.00 0.00 C ATOM 1323 OE1 GLU A 79 0.527 2.767 -14.670 1.00 0.00 O ATOM 1324 OE2 GLU A 79 2.417 2.236 -15.635 1.00 0.00 O ATOM 0 H GLU A 79 0.493 0.511 -10.323 1.00 0.00 H new ATOM 0 HA GLU A 79 0.234 -1.175 -12.570 1.00 0.00 H new ATOM 0 HB2 GLU A 79 0.264 1.343 -12.526 1.00 0.00 H new ATOM 0 HB3 GLU A 79 1.982 1.279 -12.187 1.00 0.00 H new ATOM 0 HG2 GLU A 79 2.416 0.147 -14.295 1.00 0.00 H new ATOM 0 HG3 GLU A 79 0.700 0.001 -14.618 1.00 0.00 H new ATOM 1331 N TRP A 80 3.172 -1.152 -11.082 1.00 0.00 N ATOM 1332 CA TRP A 80 4.448 -1.860 -11.002 1.00 0.00 C ATOM 1333 C TRP A 80 4.213 -3.356 -10.824 1.00 0.00 C ATOM 1334 O TRP A 80 4.828 -4.185 -11.500 1.00 0.00 O ATOM 1335 CB TRP A 80 5.289 -1.363 -9.818 1.00 0.00 C ATOM 1336 CG TRP A 80 5.671 0.088 -9.870 1.00 0.00 C ATOM 1337 CD1 TRP A 80 5.609 0.932 -10.943 1.00 0.00 C ATOM 1338 CD2 TRP A 80 6.203 0.856 -8.786 1.00 0.00 C ATOM 1339 NE1 TRP A 80 6.061 2.180 -10.584 1.00 0.00 N ATOM 1340 CE2 TRP A 80 6.432 2.158 -9.266 1.00 0.00 C ATOM 1341 CE3 TRP A 80 6.503 0.567 -7.450 1.00 0.00 C ATOM 1342 CZ2 TRP A 80 6.951 3.169 -8.458 1.00 0.00 C ATOM 1343 CZ3 TRP A 80 7.017 1.569 -6.650 1.00 0.00 C ATOM 1344 CH2 TRP A 80 7.237 2.857 -7.155 1.00 0.00 C ATOM 0 H TRP A 80 3.030 -0.454 -10.352 1.00 0.00 H new ATOM 0 HA TRP A 80 4.983 -1.667 -11.932 1.00 0.00 H new ATOM 0 HB2 TRP A 80 4.734 -1.543 -8.898 1.00 0.00 H new ATOM 0 HB3 TRP A 80 6.199 -1.960 -9.763 1.00 0.00 H new ATOM 0 HD1 TRP A 80 5.257 0.659 -11.927 1.00 0.00 H new ATOM 0 HE1 TRP A 80 6.112 2.991 -11.200 1.00 0.00 H new ATOM 0 HE3 TRP A 80 6.336 -0.423 -7.051 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 7.121 4.163 -8.846 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 7.253 1.356 -5.618 1.00 0.00 H new ATOM 0 HH2 TRP A 80 7.640 3.619 -6.504 1.00 0.00 H new ATOM 1355 N HIS A 81 3.302 -3.691 -9.922 1.00 0.00 N ATOM 1356 CA HIS A 81 3.011 -5.081 -9.603 1.00 0.00 C ATOM 1357 C HIS A 81 2.309 -5.789 -10.759 1.00 0.00 C ATOM 1358 O HIS A 81 2.467 -7.000 -10.937 1.00 0.00 O ATOM 1359 CB HIS A 81 2.200 -5.181 -8.310 1.00 0.00 C ATOM 1360 CG HIS A 81 3.020 -4.909 -7.086 1.00 0.00 C ATOM 1361 ND1 HIS A 81 3.603 -5.897 -6.324 1.00 0.00 N ATOM 1362 CD2 HIS A 81 3.378 -3.736 -6.512 1.00 0.00 C ATOM 1363 CE1 HIS A 81 4.284 -5.307 -5.336 1.00 0.00 C ATOM 1364 NE2 HIS A 81 4.180 -3.996 -5.404 1.00 0.00 N ATOM 0 H HIS A 81 2.749 -3.015 -9.395 1.00 0.00 H new ATOM 0 HA HIS A 81 3.960 -5.593 -9.445 1.00 0.00 H new ATOM 0 HB2 HIS A 81 1.372 -4.474 -8.351 1.00 0.00 H new ATOM 0 HB3 HIS A 81 1.765 -6.178 -8.236 1.00 0.00 H new ATOM 0 HD1 HIS A 81 3.528 -6.901 -6.485 1.00 0.00 H new ATOM 0 HD2 HIS A 81 3.088 -2.755 -6.858 1.00 0.00 H new ATOM 0 HE1 HIS A 81 4.846 -5.837 -4.581 1.00 0.00 H new ATOM 1372 N LYS A 82 1.537 -5.043 -11.542 1.00 0.00 N ATOM 1373 CA LYS A 82 0.910 -5.609 -12.734 1.00 0.00 C ATOM 1374 C LYS A 82 1.972 -6.064 -13.730 1.00 0.00 C ATOM 1375 O LYS A 82 1.852 -7.128 -14.335 1.00 0.00 O ATOM 1376 CB LYS A 82 -0.023 -4.603 -13.408 1.00 0.00 C ATOM 1377 CG LYS A 82 -1.214 -4.199 -12.555 1.00 0.00 C ATOM 1378 CD LYS A 82 -2.248 -3.444 -13.377 1.00 0.00 C ATOM 1379 CE LYS A 82 -1.666 -2.189 -14.013 1.00 0.00 C ATOM 1380 NZ LYS A 82 -2.601 -1.583 -14.999 1.00 0.00 N ATOM 0 H LYS A 82 1.331 -4.058 -11.377 1.00 0.00 H new ATOM 0 HA LYS A 82 0.319 -6.467 -12.415 1.00 0.00 H new ATOM 0 HB2 LYS A 82 0.547 -3.710 -13.665 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -0.386 -5.029 -14.343 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -1.670 -5.088 -12.119 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -0.877 -3.575 -11.727 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -2.639 -4.098 -14.157 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -3.089 -3.171 -12.739 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -1.436 -1.461 -13.235 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -0.726 -2.435 -14.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -2.168 -0.731 -15.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -2.801 -2.269 -15.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -3.489 -1.325 -14.522 1.00 0.00 H new ATOM 1394 N ALA A 83 3.018 -5.259 -13.886 1.00 0.00 N ATOM 1395 CA ALA A 83 4.124 -5.607 -14.773 1.00 0.00 C ATOM 1396 C ALA A 83 4.843 -6.852 -14.263 1.00 0.00 C ATOM 1397 O ALA A 83 5.274 -7.705 -15.041 1.00 0.00 O ATOM 1398 CB ALA A 83 5.094 -4.440 -14.898 1.00 0.00 C ATOM 0 H ALA A 83 3.124 -4.363 -13.411 1.00 0.00 H new ATOM 0 HA ALA A 83 3.721 -5.824 -15.762 1.00 0.00 H new ATOM 0 HB1 ALA A 83 5.912 -4.717 -15.563 1.00 0.00 H new ATOM 0 HB2 ALA A 83 4.572 -3.575 -15.306 1.00 0.00 H new ATOM 0 HB3 ALA A 83 5.493 -4.192 -13.915 1.00 0.00 H new ATOM 1404 N ALA A 84 4.953 -6.947 -12.946 1.00 0.00 N ATOM 1405 CA ALA A 84 5.554 -8.108 -12.302 1.00 0.00 C ATOM 1406 C ALA A 84 4.681 -9.349 -12.487 1.00 0.00 C ATOM 1407 O ALA A 84 5.185 -10.468 -12.514 1.00 0.00 O ATOM 1408 CB ALA A 84 5.785 -7.832 -10.824 1.00 0.00 C ATOM 0 H ALA A 84 4.631 -6.228 -12.297 1.00 0.00 H new ATOM 0 HA ALA A 84 6.517 -8.300 -12.775 1.00 0.00 H new ATOM 0 HB1 ALA A 84 6.234 -8.708 -10.356 1.00 0.00 H new ATOM 0 HB2 ALA A 84 6.454 -6.978 -10.713 1.00 0.00 H new ATOM 0 HB3 ALA A 84 4.833 -7.612 -10.342 1.00 0.00 H new ATOM 1485 N ALA A 90 12.735 -13.527 -8.876 1.00 0.00 N ATOM 1486 CA ALA A 90 12.861 -13.459 -7.423 1.00 0.00 C ATOM 1487 C ALA A 90 13.653 -12.234 -6.984 1.00 0.00 C ATOM 1488 O ALA A 90 13.310 -11.590 -5.990 1.00 0.00 O ATOM 1489 CB ALA A 90 13.515 -14.721 -6.887 1.00 0.00 C ATOM 0 HA ALA A 90 11.856 -13.374 -7.011 1.00 0.00 H new ATOM 0 HB1 ALA A 90 13.601 -14.654 -5.803 1.00 0.00 H new ATOM 0 HB2 ALA A 90 12.906 -15.586 -7.150 1.00 0.00 H new ATOM 0 HB3 ALA A 90 14.508 -14.830 -7.324 1.00 0.00 H new ATOM 1495 N GLU A 91 14.706 -11.910 -7.731 1.00 0.00 N ATOM 1496 CA GLU A 91 15.549 -10.771 -7.417 1.00 0.00 C ATOM 1497 C GLU A 91 14.755 -9.476 -7.510 1.00 0.00 C ATOM 1498 O GLU A 91 14.754 -8.665 -6.586 1.00 0.00 O ATOM 1499 CB GLU A 91 16.728 -10.709 -8.390 1.00 0.00 C ATOM 1500 CG GLU A 91 17.689 -11.892 -8.307 1.00 0.00 C ATOM 1501 CD GLU A 91 17.133 -13.165 -8.920 1.00 0.00 C ATOM 1502 OE1 GLU A 91 16.217 -13.076 -9.770 1.00 0.00 O ATOM 1503 OE2 GLU A 91 17.624 -14.257 -8.570 1.00 0.00 O ATOM 0 H GLU A 91 14.993 -12.427 -8.562 1.00 0.00 H new ATOM 0 HA GLU A 91 15.919 -10.890 -6.399 1.00 0.00 H new ATOM 0 HB2 GLU A 91 16.339 -10.645 -9.406 1.00 0.00 H new ATOM 0 HB3 GLU A 91 17.286 -9.792 -8.204 1.00 0.00 H new ATOM 0 HG2 GLU A 91 18.619 -11.631 -8.811 1.00 0.00 H new ATOM 0 HG3 GLU A 91 17.935 -12.078 -7.262 1.00 0.00 H new ATOM 1510 N GLN A 92 14.055 -9.309 -8.622 1.00 0.00 N ATOM 1511 CA GLN A 92 13.273 -8.103 -8.864 1.00 0.00 C ATOM 1512 C GLN A 92 12.084 -8.021 -7.914 1.00 0.00 C ATOM 1513 O GLN A 92 11.668 -6.933 -7.521 1.00 0.00 O ATOM 1514 CB GLN A 92 12.777 -8.065 -10.306 1.00 0.00 C ATOM 1515 CG GLN A 92 13.892 -8.057 -11.340 1.00 0.00 C ATOM 1516 CD GLN A 92 13.361 -7.930 -12.752 1.00 0.00 C ATOM 1517 OE1 GLN A 92 13.073 -8.932 -13.410 1.00 0.00 O ATOM 1518 NE2 GLN A 92 13.227 -6.702 -13.227 1.00 0.00 N ATOM 0 H GLN A 92 14.012 -9.996 -9.375 1.00 0.00 H new ATOM 0 HA GLN A 92 13.923 -7.247 -8.686 1.00 0.00 H new ATOM 0 HB2 GLN A 92 12.137 -8.929 -10.483 1.00 0.00 H new ATOM 0 HB3 GLN A 92 12.160 -7.177 -10.445 1.00 0.00 H new ATOM 0 HG2 GLN A 92 14.571 -7.230 -11.133 1.00 0.00 H new ATOM 0 HG3 GLN A 92 14.473 -8.975 -11.253 1.00 0.00 H new ATOM 0 HE21 GLN A 92 13.478 -5.901 -12.648 1.00 0.00 H new ATOM 0 HE22 GLN A 92 12.873 -6.557 -14.173 1.00 0.00 H new ATOM 1527 N PHE A 93 11.539 -9.176 -7.553 1.00 0.00 N ATOM 1528 CA PHE A 93 10.391 -9.237 -6.663 1.00 0.00 C ATOM 1529 C PHE A 93 10.790 -8.784 -5.263 1.00 0.00 C ATOM 1530 O PHE A 93 10.074 -8.015 -4.622 1.00 0.00 O ATOM 1531 CB PHE A 93 9.826 -10.659 -6.627 1.00 0.00 C ATOM 1532 CG PHE A 93 8.496 -10.767 -5.937 1.00 0.00 C ATOM 1533 CD1 PHE A 93 7.347 -10.303 -6.553 1.00 0.00 C ATOM 1534 CD2 PHE A 93 8.394 -11.326 -4.673 1.00 0.00 C ATOM 1535 CE1 PHE A 93 6.119 -10.396 -5.927 1.00 0.00 C ATOM 1536 CE2 PHE A 93 7.168 -11.421 -4.042 1.00 0.00 C ATOM 1537 CZ PHE A 93 6.031 -10.954 -4.668 1.00 0.00 C ATOM 0 H PHE A 93 11.877 -10.086 -7.866 1.00 0.00 H new ATOM 0 HA PHE A 93 9.617 -8.567 -7.037 1.00 0.00 H new ATOM 0 HB2 PHE A 93 9.725 -11.026 -7.649 1.00 0.00 H new ATOM 0 HB3 PHE A 93 10.540 -11.311 -6.123 1.00 0.00 H new ATOM 0 HD1 PHE A 93 7.411 -9.862 -7.537 1.00 0.00 H new ATOM 0 HD2 PHE A 93 9.281 -11.691 -4.176 1.00 0.00 H new ATOM 0 HE1 PHE A 93 5.230 -10.033 -6.422 1.00 0.00 H new ATOM 0 HE2 PHE A 93 7.100 -11.861 -3.058 1.00 0.00 H new ATOM 0 HZ PHE A 93 5.073 -11.025 -4.174 1.00 0.00 H new ATOM 1547 N ALA A 94 11.946 -9.257 -4.805 1.00 0.00 N ATOM 1548 CA ALA A 94 12.475 -8.860 -3.510 1.00 0.00 C ATOM 1549 C ALA A 94 12.727 -7.357 -3.473 1.00 0.00 C ATOM 1550 O ALA A 94 12.396 -6.686 -2.496 1.00 0.00 O ATOM 1551 CB ALA A 94 13.756 -9.625 -3.200 1.00 0.00 C ATOM 0 H ALA A 94 12.533 -9.917 -5.315 1.00 0.00 H new ATOM 0 HA ALA A 94 11.736 -9.103 -2.747 1.00 0.00 H new ATOM 0 HB1 ALA A 94 14.138 -9.316 -2.227 1.00 0.00 H new ATOM 0 HB2 ALA A 94 13.546 -10.695 -3.184 1.00 0.00 H new ATOM 0 HB3 ALA A 94 14.501 -9.413 -3.967 1.00 0.00 H new ATOM 1557 N SER A 95 13.295 -6.837 -4.554 1.00 0.00 N ATOM 1558 CA SER A 95 13.557 -5.419 -4.672 1.00 0.00 C ATOM 1559 C SER A 95 12.251 -4.628 -4.723 1.00 0.00 C ATOM 1560 O SER A 95 12.141 -3.562 -4.118 1.00 0.00 O ATOM 1561 CB SER A 95 14.376 -5.163 -5.931 1.00 0.00 C ATOM 1562 OG SER A 95 15.577 -5.915 -5.922 1.00 0.00 O ATOM 0 H SER A 95 13.583 -7.386 -5.364 1.00 0.00 H new ATOM 0 HA SER A 95 14.117 -5.088 -3.797 1.00 0.00 H new ATOM 0 HB2 SER A 95 13.787 -5.424 -6.810 1.00 0.00 H new ATOM 0 HB3 SER A 95 14.609 -4.101 -6.007 1.00 0.00 H new ATOM 0 HG SER A 95 15.381 -6.847 -6.151 1.00 0.00 H new ATOM 1568 N LEU A 96 11.264 -5.161 -5.439 1.00 0.00 N ATOM 1569 CA LEU A 96 9.970 -4.502 -5.590 1.00 0.00 C ATOM 1570 C LEU A 96 9.294 -4.316 -4.237 1.00 0.00 C ATOM 1571 O LEU A 96 8.823 -3.228 -3.917 1.00 0.00 O ATOM 1572 CB LEU A 96 9.072 -5.319 -6.523 1.00 0.00 C ATOM 1573 CG LEU A 96 7.699 -4.711 -6.828 1.00 0.00 C ATOM 1574 CD1 LEU A 96 7.846 -3.333 -7.458 1.00 0.00 C ATOM 1575 CD2 LEU A 96 6.913 -5.629 -7.749 1.00 0.00 C ATOM 0 H LEU A 96 11.337 -6.054 -5.927 1.00 0.00 H new ATOM 0 HA LEU A 96 10.134 -3.517 -6.026 1.00 0.00 H new ATOM 0 HB2 LEU A 96 9.599 -5.469 -7.465 1.00 0.00 H new ATOM 0 HB3 LEU A 96 8.922 -6.304 -6.082 1.00 0.00 H new ATOM 0 HG LEU A 96 7.156 -4.602 -5.889 1.00 0.00 H new ATOM 0 HD11 LEU A 96 6.859 -2.921 -7.666 1.00 0.00 H new ATOM 0 HD12 LEU A 96 8.377 -2.674 -6.771 1.00 0.00 H new ATOM 0 HD13 LEU A 96 8.408 -3.416 -8.388 1.00 0.00 H new ATOM 0 HD21 LEU A 96 5.939 -5.187 -7.959 1.00 0.00 H new ATOM 0 HD22 LEU A 96 7.460 -5.763 -8.683 1.00 0.00 H new ATOM 0 HD23 LEU A 96 6.776 -6.597 -7.267 1.00 0.00 H new ATOM 1587 N VAL A 97 9.276 -5.379 -3.444 1.00 0.00 N ATOM 1588 CA VAL A 97 8.675 -5.337 -2.118 1.00 0.00 C ATOM 1589 C VAL A 97 9.409 -4.337 -1.224 1.00 0.00 C ATOM 1590 O VAL A 97 8.786 -3.510 -0.559 1.00 0.00 O ATOM 1591 CB VAL A 97 8.687 -6.730 -1.450 1.00 0.00 C ATOM 1592 CG1 VAL A 97 8.111 -6.666 -0.044 1.00 0.00 C ATOM 1593 CG2 VAL A 97 7.915 -7.732 -2.295 1.00 0.00 C ATOM 0 H VAL A 97 9.672 -6.284 -3.697 1.00 0.00 H new ATOM 0 HA VAL A 97 7.640 -5.019 -2.241 1.00 0.00 H new ATOM 0 HB VAL A 97 9.723 -7.060 -1.377 1.00 0.00 H new ATOM 0 HG11 VAL A 97 8.131 -7.660 0.403 1.00 0.00 H new ATOM 0 HG12 VAL A 97 8.706 -5.983 0.562 1.00 0.00 H new ATOM 0 HG13 VAL A 97 7.082 -6.309 -0.088 1.00 0.00 H new ATOM 0 HG21 VAL A 97 7.934 -8.708 -1.810 1.00 0.00 H new ATOM 0 HG22 VAL A 97 6.883 -7.399 -2.401 1.00 0.00 H new ATOM 0 HG23 VAL A 97 8.375 -7.808 -3.280 1.00 0.00 H new ATOM 1603 N GLN A 98 10.737 -4.411 -1.236 1.00 0.00 N ATOM 1604 CA GLN A 98 11.570 -3.535 -0.419 1.00 0.00 C ATOM 1605 C GLN A 98 11.341 -2.062 -0.775 1.00 0.00 C ATOM 1606 O GLN A 98 11.174 -1.218 0.109 1.00 0.00 O ATOM 1607 CB GLN A 98 13.045 -3.897 -0.614 1.00 0.00 C ATOM 1608 CG GLN A 98 14.009 -3.062 0.209 1.00 0.00 C ATOM 1609 CD GLN A 98 15.457 -3.395 -0.095 1.00 0.00 C ATOM 1610 OE1 GLN A 98 15.797 -3.784 -1.211 1.00 0.00 O ATOM 1611 NE2 GLN A 98 16.320 -3.247 0.897 1.00 0.00 N ATOM 0 H GLN A 98 11.262 -5.074 -1.807 1.00 0.00 H new ATOM 0 HA GLN A 98 11.294 -3.676 0.626 1.00 0.00 H new ATOM 0 HB2 GLN A 98 13.185 -4.948 -0.360 1.00 0.00 H new ATOM 0 HB3 GLN A 98 13.297 -3.787 -1.669 1.00 0.00 H new ATOM 0 HG2 GLN A 98 13.832 -2.005 0.011 1.00 0.00 H new ATOM 0 HG3 GLN A 98 13.815 -3.225 1.269 1.00 0.00 H new ATOM 0 HE21 GLN A 98 15.998 -2.922 1.809 1.00 0.00 H new ATOM 0 HE22 GLN A 98 17.307 -3.458 0.750 1.00 0.00 H new ATOM 1620 N GLN A 99 11.313 -1.767 -2.070 1.00 0.00 N ATOM 1621 CA GLN A 99 11.123 -0.399 -2.545 1.00 0.00 C ATOM 1622 C GLN A 99 9.700 0.085 -2.276 1.00 0.00 C ATOM 1623 O GLN A 99 9.489 1.245 -1.922 1.00 0.00 O ATOM 1624 CB GLN A 99 11.446 -0.313 -4.038 1.00 0.00 C ATOM 1625 CG GLN A 99 12.921 -0.517 -4.343 1.00 0.00 C ATOM 1626 CD GLN A 99 13.202 -0.654 -5.827 1.00 0.00 C ATOM 1627 OE1 GLN A 99 12.481 -0.113 -6.664 1.00 0.00 O ATOM 1628 NE2 GLN A 99 14.257 -1.378 -6.165 1.00 0.00 N ATOM 0 H GLN A 99 11.420 -2.458 -2.812 1.00 0.00 H new ATOM 0 HA GLN A 99 11.805 0.251 -1.997 1.00 0.00 H new ATOM 0 HB2 GLN A 99 10.864 -1.063 -4.573 1.00 0.00 H new ATOM 0 HB3 GLN A 99 11.135 0.661 -4.415 1.00 0.00 H new ATOM 0 HG2 GLN A 99 13.489 0.325 -3.947 1.00 0.00 H new ATOM 0 HG3 GLN A 99 13.274 -1.410 -3.827 1.00 0.00 H new ATOM 0 HE21 GLN A 99 14.831 -1.811 -5.442 1.00 0.00 H new ATOM 0 HE22 GLN A 99 14.496 -1.503 -7.149 1.00 0.00 H new ATOM 1637 N HIS A 100 8.733 -0.811 -2.432 1.00 0.00 N ATOM 1638 CA HIS A 100 7.335 -0.491 -2.162 1.00 0.00 C ATOM 1639 C HIS A 100 7.159 -0.154 -0.682 1.00 0.00 C ATOM 1640 O HIS A 100 6.493 0.822 -0.325 1.00 0.00 O ATOM 1641 CB HIS A 100 6.447 -1.683 -2.548 1.00 0.00 C ATOM 1642 CG HIS A 100 4.974 -1.385 -2.596 1.00 0.00 C ATOM 1643 ND1 HIS A 100 4.081 -2.098 -3.363 1.00 0.00 N ATOM 1644 CD2 HIS A 100 4.238 -0.450 -1.946 1.00 0.00 C ATOM 1645 CE1 HIS A 100 2.862 -1.590 -3.161 1.00 0.00 C ATOM 1646 NE2 HIS A 100 2.899 -0.583 -2.307 1.00 0.00 N ATOM 0 H HIS A 100 8.891 -1.769 -2.745 1.00 0.00 H new ATOM 0 HA HIS A 100 7.040 0.374 -2.756 1.00 0.00 H new ATOM 0 HB2 HIS A 100 6.761 -2.050 -3.525 1.00 0.00 H new ATOM 0 HB3 HIS A 100 6.617 -2.490 -1.835 1.00 0.00 H new ATOM 0 HD1 HIS A 100 4.310 -2.878 -3.979 1.00 0.00 H new ATOM 0 HD2 HIS A 100 4.629 0.283 -1.256 1.00 0.00 H new ATOM 0 HE1 HIS A 100 1.963 -1.955 -3.635 1.00 0.00 H new ATOM 1654 N LEU A 101 7.792 -0.957 0.168 1.00 0.00 N ATOM 1655 CA LEU A 101 7.698 -0.802 1.615 1.00 0.00 C ATOM 1656 C LEU A 101 8.146 0.587 2.052 1.00 0.00 C ATOM 1657 O LEU A 101 7.551 1.190 2.946 1.00 0.00 O ATOM 1658 CB LEU A 101 8.559 -1.861 2.306 1.00 0.00 C ATOM 1659 CG LEU A 101 8.448 -1.915 3.831 1.00 0.00 C ATOM 1660 CD1 LEU A 101 7.017 -2.190 4.255 1.00 0.00 C ATOM 1661 CD2 LEU A 101 9.378 -2.977 4.394 1.00 0.00 C ATOM 0 H LEU A 101 8.384 -1.733 -0.127 1.00 0.00 H new ATOM 0 HA LEU A 101 6.654 -0.930 1.902 1.00 0.00 H new ATOM 0 HB2 LEU A 101 8.291 -2.839 1.906 1.00 0.00 H new ATOM 0 HB3 LEU A 101 9.602 -1.684 2.042 1.00 0.00 H new ATOM 0 HG LEU A 101 8.745 -0.945 4.229 1.00 0.00 H new ATOM 0 HD11 LEU A 101 6.960 -2.224 5.343 1.00 0.00 H new ATOM 0 HD12 LEU A 101 6.368 -1.397 3.883 1.00 0.00 H new ATOM 0 HD13 LEU A 101 6.693 -3.146 3.844 1.00 0.00 H new ATOM 0 HD21 LEU A 101 9.287 -3.002 5.480 1.00 0.00 H new ATOM 0 HD22 LEU A 101 9.109 -3.951 3.985 1.00 0.00 H new ATOM 0 HD23 LEU A 101 10.407 -2.741 4.122 1.00 0.00 H new ATOM 1673 N GLN A 102 9.193 1.088 1.408 1.00 0.00 N ATOM 1674 CA GLN A 102 9.749 2.379 1.729 1.00 0.00 C ATOM 1675 C GLN A 102 8.707 3.488 1.617 1.00 0.00 C ATOM 1676 O GLN A 102 8.611 4.348 2.497 1.00 0.00 O ATOM 1677 CB GLN A 102 10.912 2.654 0.787 1.00 0.00 C ATOM 1678 CG GLN A 102 12.165 1.835 1.078 1.00 0.00 C ATOM 1679 CD GLN A 102 12.837 2.203 2.395 1.00 0.00 C ATOM 1680 OE1 GLN A 102 12.185 2.598 3.364 1.00 0.00 O ATOM 1681 NE2 GLN A 102 14.156 2.093 2.431 1.00 0.00 N ATOM 0 H GLN A 102 9.674 0.604 0.650 1.00 0.00 H new ATOM 0 HA GLN A 102 10.093 2.365 2.763 1.00 0.00 H new ATOM 0 HB2 GLN A 102 10.591 2.454 -0.235 1.00 0.00 H new ATOM 0 HB3 GLN A 102 11.164 3.713 0.840 1.00 0.00 H new ATOM 0 HG2 GLN A 102 11.902 0.777 1.096 1.00 0.00 H new ATOM 0 HG3 GLN A 102 12.877 1.973 0.264 1.00 0.00 H new ATOM 0 HE21 GLN A 102 14.663 1.762 1.610 1.00 0.00 H new ATOM 0 HE22 GLN A 102 14.665 2.339 3.280 1.00 0.00 H new ATOM 1690 N ASP A 103 7.919 3.466 0.544 1.00 0.00 N ATOM 1691 CA ASP A 103 6.915 4.503 0.328 1.00 0.00 C ATOM 1692 C ASP A 103 5.780 4.368 1.332 1.00 0.00 C ATOM 1693 O ASP A 103 5.306 5.357 1.889 1.00 0.00 O ATOM 1694 CB ASP A 103 6.348 4.454 -1.093 1.00 0.00 C ATOM 1695 CG ASP A 103 5.717 5.776 -1.496 1.00 0.00 C ATOM 1696 OD1 ASP A 103 6.349 6.833 -1.282 1.00 0.00 O ATOM 1697 OD2 ASP A 103 4.602 5.768 -2.049 1.00 0.00 O ATOM 0 H ASP A 103 7.956 2.750 -0.181 1.00 0.00 H new ATOM 0 HA ASP A 103 7.410 5.464 0.467 1.00 0.00 H new ATOM 0 HB2 ASP A 103 7.145 4.203 -1.793 1.00 0.00 H new ATOM 0 HB3 ASP A 103 5.603 3.661 -1.160 1.00 0.00 H new ATOM 1702 N GLU A 104 5.362 3.130 1.578 1.00 0.00 N ATOM 1703 CA GLU A 104 4.242 2.864 2.475 1.00 0.00 C ATOM 1704 C GLU A 104 4.548 3.311 3.897 1.00 0.00 C ATOM 1705 O GLU A 104 3.690 3.875 4.573 1.00 0.00 O ATOM 1706 CB GLU A 104 3.867 1.383 2.470 1.00 0.00 C ATOM 1707 CG GLU A 104 3.466 0.859 1.102 1.00 0.00 C ATOM 1708 CD GLU A 104 2.332 1.641 0.464 1.00 0.00 C ATOM 1709 OE1 GLU A 104 1.730 2.516 1.130 1.00 0.00 O ATOM 1710 OE2 GLU A 104 2.035 1.396 -0.723 1.00 0.00 O ATOM 0 H GLU A 104 5.782 2.295 1.169 1.00 0.00 H new ATOM 0 HA GLU A 104 3.395 3.442 2.104 1.00 0.00 H new ATOM 0 HB2 GLU A 104 4.713 0.802 2.838 1.00 0.00 H new ATOM 0 HB3 GLU A 104 3.043 1.224 3.166 1.00 0.00 H new ATOM 0 HG2 GLU A 104 4.333 0.887 0.442 1.00 0.00 H new ATOM 0 HG3 GLU A 104 3.170 -0.186 1.194 1.00 0.00 H new ATOM 1717 N GLN A 105 5.771 3.066 4.352 1.00 0.00 N ATOM 1718 CA GLN A 105 6.185 3.493 5.673 1.00 0.00 C ATOM 1719 C GLN A 105 6.160 5.013 5.775 1.00 0.00 C ATOM 1720 O GLN A 105 5.862 5.572 6.833 1.00 0.00 O ATOM 1721 CB GLN A 105 7.582 2.965 5.983 1.00 0.00 C ATOM 1722 CG GLN A 105 7.658 1.449 6.068 1.00 0.00 C ATOM 1723 CD GLN A 105 9.027 0.951 6.491 1.00 0.00 C ATOM 1724 OE1 GLN A 105 10.047 1.589 6.227 1.00 0.00 O ATOM 1725 NE2 GLN A 105 9.059 -0.199 7.149 1.00 0.00 N ATOM 0 H GLN A 105 6.490 2.573 3.822 1.00 0.00 H new ATOM 0 HA GLN A 105 5.486 3.087 6.404 1.00 0.00 H new ATOM 0 HB2 GLN A 105 8.271 3.312 5.213 1.00 0.00 H new ATOM 0 HB3 GLN A 105 7.920 3.390 6.928 1.00 0.00 H new ATOM 0 HG2 GLN A 105 6.912 1.092 6.777 1.00 0.00 H new ATOM 0 HG3 GLN A 105 7.405 1.022 5.097 1.00 0.00 H new ATOM 0 HE21 GLN A 105 8.191 -0.697 7.348 1.00 0.00 H new ATOM 0 HE22 GLN A 105 9.951 -0.586 7.456 1.00 0.00 H new ATOM 1734 N ARG A 106 6.452 5.673 4.661 1.00 0.00 N ATOM 1735 CA ARG A 106 6.426 7.126 4.611 1.00 0.00 C ATOM 1736 C ARG A 106 4.977 7.618 4.630 1.00 0.00 C ATOM 1737 O ARG A 106 4.672 8.654 5.223 1.00 0.00 O ATOM 1738 CB ARG A 106 7.156 7.626 3.360 1.00 0.00 C ATOM 1739 CG ARG A 106 7.913 8.935 3.565 1.00 0.00 C ATOM 1740 CD ARG A 106 6.978 10.094 3.859 1.00 0.00 C ATOM 1741 NE ARG A 106 7.700 11.303 4.245 1.00 0.00 N ATOM 1742 CZ ARG A 106 7.105 12.463 4.525 1.00 0.00 C ATOM 1743 NH1 ARG A 106 5.783 12.561 4.446 1.00 0.00 N ATOM 1744 NH2 ARG A 106 7.827 13.516 4.891 1.00 0.00 N ATOM 0 H ARG A 106 6.709 5.224 3.782 1.00 0.00 H new ATOM 0 HA ARG A 106 6.940 7.525 5.485 1.00 0.00 H new ATOM 0 HB2 ARG A 106 7.858 6.860 3.031 1.00 0.00 H new ATOM 0 HB3 ARG A 106 6.431 7.759 2.557 1.00 0.00 H new ATOM 0 HG2 ARG A 106 8.618 8.821 4.388 1.00 0.00 H new ATOM 0 HG3 ARG A 106 8.498 9.159 2.673 1.00 0.00 H new ATOM 0 HD2 ARG A 106 6.371 10.301 2.977 1.00 0.00 H new ATOM 0 HD3 ARG A 106 6.293 9.812 4.658 1.00 0.00 H new ATOM 0 HE ARG A 106 8.717 11.258 4.304 1.00 0.00 H new ATOM 0 HH11 ARG A 106 5.227 11.751 4.172 1.00 0.00 H new ATOM 0 HH12 ARG A 106 5.324 13.446 4.659 1.00 0.00 H new ATOM 0 HH21 ARG A 106 8.842 13.440 4.959 1.00 0.00 H new ATOM 0 HH22 ARG A 106 7.367 14.401 5.104 1.00 0.00 H new ATOM 1758 N HIS A 107 4.087 6.866 3.980 1.00 0.00 N ATOM 1759 CA HIS A 107 2.654 7.159 4.030 1.00 0.00 C ATOM 1760 C HIS A 107 2.182 7.155 5.477 1.00 0.00 C ATOM 1761 O HIS A 107 1.584 8.118 5.950 1.00 0.00 O ATOM 1762 CB HIS A 107 1.841 6.127 3.232 1.00 0.00 C ATOM 1763 CG HIS A 107 2.050 6.175 1.747 1.00 0.00 C ATOM 1764 ND1 HIS A 107 1.446 5.265 0.902 1.00 0.00 N ATOM 1765 CD2 HIS A 107 2.799 7.031 1.011 1.00 0.00 C ATOM 1766 CE1 HIS A 107 1.849 5.599 -0.319 1.00 0.00 C ATOM 1767 NE2 HIS A 107 2.668 6.656 -0.301 1.00 0.00 N ATOM 0 H HIS A 107 4.332 6.053 3.415 1.00 0.00 H new ATOM 0 HA HIS A 107 2.497 8.141 3.584 1.00 0.00 H new ATOM 0 HB2 HIS A 107 2.096 5.129 3.589 1.00 0.00 H new ATOM 0 HB3 HIS A 107 0.782 6.279 3.441 1.00 0.00 H new ATOM 0 HD1 HIS A 107 0.823 4.500 1.160 1.00 0.00 H new ATOM 0 HD2 HIS A 107 3.388 7.854 1.387 1.00 0.00 H new ATOM 0 HE1 HIS A 107 1.551 5.080 -1.218 1.00 0.00 H new ATOM 1775 N VAL A 108 2.494 6.070 6.177 1.00 0.00 N ATOM 1776 CA VAL A 108 2.122 5.915 7.579 1.00 0.00 C ATOM 1777 C VAL A 108 2.704 7.042 8.428 1.00 0.00 C ATOM 1778 O VAL A 108 2.010 7.623 9.259 1.00 0.00 O ATOM 1779 CB VAL A 108 2.605 4.558 8.139 1.00 0.00 C ATOM 1780 CG1 VAL A 108 2.254 4.412 9.612 1.00 0.00 C ATOM 1781 CG2 VAL A 108 2.014 3.413 7.336 1.00 0.00 C ATOM 0 H VAL A 108 3.008 5.278 5.792 1.00 0.00 H new ATOM 0 HA VAL A 108 1.034 5.953 7.628 1.00 0.00 H new ATOM 0 HB VAL A 108 3.691 4.525 8.049 1.00 0.00 H new ATOM 0 HG11 VAL A 108 2.607 3.447 9.976 1.00 0.00 H new ATOM 0 HG12 VAL A 108 2.730 5.211 10.180 1.00 0.00 H new ATOM 0 HG13 VAL A 108 1.173 4.473 9.736 1.00 0.00 H new ATOM 0 HG21 VAL A 108 2.364 2.464 7.743 1.00 0.00 H new ATOM 0 HG22 VAL A 108 0.926 3.453 7.392 1.00 0.00 H new ATOM 0 HG23 VAL A 108 2.327 3.499 6.295 1.00 0.00 H new ATOM 1791 N GLU A 109 3.971 7.365 8.181 1.00 0.00 N ATOM 1792 CA GLU A 109 4.678 8.392 8.926 1.00 0.00 C ATOM 1793 C GLU A 109 3.939 9.725 8.874 1.00 0.00 C ATOM 1794 O GLU A 109 3.808 10.416 9.886 1.00 0.00 O ATOM 1795 CB GLU A 109 6.064 8.540 8.313 1.00 0.00 C ATOM 1796 CG GLU A 109 7.186 8.584 9.321 1.00 0.00 C ATOM 1797 CD GLU A 109 7.557 9.992 9.735 1.00 0.00 C ATOM 1798 OE1 GLU A 109 8.050 10.759 8.881 1.00 0.00 O ATOM 1799 OE2 GLU A 109 7.380 10.337 10.918 1.00 0.00 O ATOM 0 H GLU A 109 4.533 6.919 7.457 1.00 0.00 H new ATOM 0 HA GLU A 109 4.745 8.100 9.974 1.00 0.00 H new ATOM 0 HB2 GLU A 109 6.237 7.709 7.630 1.00 0.00 H new ATOM 0 HB3 GLU A 109 6.090 9.453 7.718 1.00 0.00 H new ATOM 0 HG2 GLU A 109 6.895 8.017 10.205 1.00 0.00 H new ATOM 0 HG3 GLU A 109 8.063 8.092 8.901 1.00 0.00 H new ATOM 1806 N GLU A 110 3.456 10.072 7.691 1.00 0.00 N ATOM 1807 CA GLU A 110 2.740 11.319 7.490 1.00 0.00 C ATOM 1808 C GLU A 110 1.357 11.264 8.147 1.00 0.00 C ATOM 1809 O GLU A 110 0.975 12.165 8.898 1.00 0.00 O ATOM 1810 CB GLU A 110 2.611 11.606 5.989 1.00 0.00 C ATOM 1811 CG GLU A 110 2.286 13.054 5.673 1.00 0.00 C ATOM 1812 CD GLU A 110 3.407 14.005 6.051 1.00 0.00 C ATOM 1813 OE1 GLU A 110 3.602 14.267 7.253 1.00 0.00 O ATOM 1814 OE2 GLU A 110 4.099 14.508 5.135 1.00 0.00 O ATOM 0 H GLU A 110 3.549 9.502 6.851 1.00 0.00 H new ATOM 0 HA GLU A 110 3.303 12.126 7.959 1.00 0.00 H new ATOM 0 HB2 GLU A 110 3.544 11.336 5.494 1.00 0.00 H new ATOM 0 HB3 GLU A 110 1.832 10.968 5.571 1.00 0.00 H new ATOM 0 HG2 GLU A 110 2.078 13.151 4.607 1.00 0.00 H new ATOM 0 HG3 GLU A 110 1.378 13.342 6.203 1.00 0.00 H new ATOM 1821 N ILE A 111 0.632 10.174 7.887 1.00 0.00 N ATOM 1822 CA ILE A 111 -0.741 10.013 8.369 1.00 0.00 C ATOM 1823 C ILE A 111 -0.826 10.058 9.896 1.00 0.00 C ATOM 1824 O ILE A 111 -1.744 10.668 10.454 1.00 0.00 O ATOM 1825 CB ILE A 111 -1.363 8.686 7.867 1.00 0.00 C ATOM 1826 CG1 ILE A 111 -1.428 8.672 6.338 1.00 0.00 C ATOM 1827 CG2 ILE A 111 -2.755 8.478 8.451 1.00 0.00 C ATOM 1828 CD1 ILE A 111 -1.929 7.364 5.760 1.00 0.00 C ATOM 0 H ILE A 111 0.977 9.384 7.341 1.00 0.00 H new ATOM 0 HA ILE A 111 -1.305 10.854 7.965 1.00 0.00 H new ATOM 0 HB ILE A 111 -0.725 7.868 8.203 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -2.079 9.480 6.004 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -0.435 8.878 5.939 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -3.168 7.539 8.082 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -2.692 8.444 9.539 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -3.402 9.302 8.151 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -1.947 7.430 4.672 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -1.265 6.554 6.063 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -2.935 7.165 6.128 1.00 0.00 H new ATOM 1840 N GLU A 112 0.132 9.421 10.572 1.00 0.00 N ATOM 1841 CA GLU A 112 0.150 9.370 12.024 1.00 0.00 C ATOM 1842 C GLU A 112 0.187 10.771 12.631 1.00 0.00 C ATOM 1843 O GLU A 112 -0.276 10.990 13.750 1.00 0.00 O ATOM 1844 CB GLU A 112 1.361 8.571 12.502 1.00 0.00 C ATOM 1845 CG GLU A 112 1.298 7.090 12.167 1.00 0.00 C ATOM 1846 CD GLU A 112 2.424 6.296 12.798 1.00 0.00 C ATOM 1847 OE1 GLU A 112 3.534 6.257 12.228 1.00 0.00 O ATOM 1848 OE2 GLU A 112 2.205 5.695 13.872 1.00 0.00 O ATOM 0 H GLU A 112 0.909 8.932 10.127 1.00 0.00 H new ATOM 0 HA GLU A 112 -0.767 8.881 12.353 1.00 0.00 H new ATOM 0 HB2 GLU A 112 2.261 8.995 12.057 1.00 0.00 H new ATOM 0 HB3 GLU A 112 1.455 8.685 13.582 1.00 0.00 H new ATOM 0 HG2 GLU A 112 0.343 6.687 12.503 1.00 0.00 H new ATOM 0 HG3 GLU A 112 1.334 6.965 11.085 1.00 0.00 H new