USER MOD reduce.3.24.130724 H: found=0, std=0, add=806, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 805 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 101 SER OG : rot -114:sc= 1.2 USER MOD Set 1.2: A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 2.2: A 86 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 78 GLN : amide:sc= 0.141 K(o=2,f=1.2) USER MOD Set 3.2: A 95 SER OG : rot 21:sc= 0.437 USER MOD Set 3.3: A 100 ASN : amide:sc= 1.44 K(o=2,f=-0.31) USER MOD Set 4.1: A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 75 CYS SG : rot 8:sc= 0.343 USER MOD Set 5.1: A 31 TYR OH : rot 111:sc= 0.515 USER MOD Set 5.2: A 79 TYR OH : rot 180:sc= 0.476 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 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 24 GLN : amide:sc= -0.132 X(o=-0.13,f=-0.18) USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.176 USER MOD Single : A 30 CYS SG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -0.104 X(o=-0.1,f=-0.58) USER MOD Single : A 37 LYS NZ :NH3+ -159:sc= -0.0524 (180deg=-0.342) USER MOD Single : A 38 THR OG1 : rot 48:sc= 1.19 USER MOD Single : A 39 TYR OH : rot 17:sc= 0.355 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= -0.284 USER MOD Single : A 60 SER OG : rot -174:sc= 1.29 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 HIS : no HE2:sc= -0.424 K(o=-0.42,f=-1.6) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.00501 USER MOD Single : A 80 HIS : no HD1:sc= -0.605 X(o=-0.61,f=-0.28) USER MOD Single : A 83 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0175) USER MOD Single : A 85 THR OG1 : rot 180:sc=9.72e-05 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 MET CE :methyl -131:sc= -2.06 (180deg=-5.46!) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN : amide:sc= -3.06! C(o=-3.1!,f=-4.5!) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 ASN : amide:sc= -0.0455 K(o=-0.045,f=-3.1!) USER MOD ----------------------------------------------------------------- ATOM 59 N LYS A 6 16.295 -5.338 -1.258 1.00 21.13 N ATOM 60 CA LYS A 6 16.580 -3.894 -1.270 1.00 41.30 C ATOM 61 C LYS A 6 15.316 -3.118 -1.615 1.00 5.32 C ATOM 62 O LYS A 6 14.351 -3.714 -2.069 1.00 65.41 O ATOM 63 CB LYS A 6 17.712 -3.556 -2.251 1.00 2.11 C ATOM 64 CG LYS A 6 19.080 -3.913 -1.665 1.00 24.41 C ATOM 65 CD LYS A 6 20.223 -3.262 -2.460 1.00 32.24 C ATOM 66 CE LYS A 6 21.225 -2.589 -1.519 1.00 42.20 C ATOM 67 NZ LYS A 6 22.612 -2.707 -1.998 1.00 30.53 N ATOM 0 HA LYS A 6 16.913 -3.602 -0.274 1.00 41.30 H new ATOM 0 HB2 LYS A 6 17.561 -4.098 -3.185 1.00 2.11 H new ATOM 0 HB3 LYS A 6 17.683 -2.493 -2.491 1.00 2.11 H new ATOM 0 HG2 LYS A 6 19.127 -3.588 -0.626 1.00 24.41 H new ATOM 0 HG3 LYS A 6 19.206 -4.996 -1.666 1.00 24.41 H new ATOM 0 HD2 LYS A 6 20.731 -4.017 -3.060 1.00 32.24 H new ATOM 0 HD3 LYS A 6 19.817 -2.525 -3.153 1.00 32.24 H new ATOM 0 HE2 LYS A 6 20.969 -1.535 -1.413 1.00 42.20 H new ATOM 0 HE3 LYS A 6 21.146 -3.037 -0.528 1.00 42.20 H new ATOM 0 HZ1 LYS A 6 23.252 -2.236 -1.327 1.00 30.53 H new ATOM 0 HZ2 LYS A 6 22.869 -3.712 -2.074 1.00 30.53 H new ATOM 0 HZ3 LYS A 6 22.696 -2.256 -2.932 1.00 30.53 H new ATOM 81 N VAL A 7 15.318 -1.802 -1.395 1.00 5.24 N ATOM 82 CA VAL A 7 14.164 -0.912 -1.521 1.00 44.22 C ATOM 83 C VAL A 7 14.315 -0.109 -2.813 1.00 13.33 C ATOM 84 O VAL A 7 15.249 0.683 -2.941 1.00 25.40 O ATOM 85 CB VAL A 7 13.965 -0.107 -0.215 1.00 32.10 C ATOM 86 CG1 VAL A 7 15.243 0.486 0.388 1.00 11.24 C ATOM 87 CG2 VAL A 7 12.931 1.021 -0.338 1.00 13.40 C ATOM 0 H VAL A 7 16.163 -1.306 -1.111 1.00 5.24 H new ATOM 0 HA VAL A 7 13.224 -1.453 -1.626 1.00 44.22 H new ATOM 0 HB VAL A 7 13.596 -0.876 0.464 1.00 32.10 H new ATOM 0 HG11 VAL A 7 14.997 1.031 1.300 1.00 11.24 H new ATOM 0 HG12 VAL A 7 15.941 -0.317 0.623 1.00 11.24 H new ATOM 0 HG13 VAL A 7 15.701 1.167 -0.329 1.00 11.24 H new ATOM 0 HG21 VAL A 7 12.845 1.541 0.616 1.00 13.40 H new ATOM 0 HG22 VAL A 7 13.250 1.724 -1.107 1.00 13.40 H new ATOM 0 HG23 VAL A 7 11.963 0.599 -0.610 1.00 13.40 H new ATOM 97 N GLU A 8 13.436 -0.365 -3.781 1.00 14.24 N ATOM 98 CA GLU A 8 13.511 0.119 -5.161 1.00 52.03 C ATOM 99 C GLU A 8 12.232 0.853 -5.589 1.00 52.05 C ATOM 100 O GLU A 8 11.194 0.769 -4.929 1.00 2.13 O ATOM 101 CB GLU A 8 13.785 -1.070 -6.110 1.00 13.11 C ATOM 102 CG GLU A 8 15.213 -1.103 -6.674 1.00 1.22 C ATOM 103 CD GLU A 8 15.189 -1.215 -8.199 1.00 23.14 C ATOM 104 OE1 GLU A 8 14.845 -0.197 -8.840 1.00 21.13 O ATOM 105 OE2 GLU A 8 15.454 -2.312 -8.743 1.00 74.40 O ATOM 0 H GLU A 8 12.612 -0.943 -3.617 1.00 14.24 H new ATOM 0 HA GLU A 8 14.328 0.838 -5.219 1.00 52.03 H new ATOM 0 HB2 GLU A 8 13.595 -2.000 -5.574 1.00 13.11 H new ATOM 0 HB3 GLU A 8 13.079 -1.030 -6.939 1.00 13.11 H new ATOM 0 HG2 GLU A 8 15.747 -0.200 -6.379 1.00 1.22 H new ATOM 0 HG3 GLU A 8 15.757 -1.947 -6.251 1.00 1.22 H new ATOM 112 N ILE A 9 12.310 1.581 -6.711 1.00 71.51 N ATOM 113 CA ILE A 9 11.213 2.342 -7.316 1.00 65.55 C ATOM 114 C ILE A 9 10.189 1.392 -7.962 1.00 53.42 C ATOM 115 O ILE A 9 9.076 1.307 -7.440 1.00 33.44 O ATOM 116 CB ILE A 9 11.779 3.433 -8.270 1.00 74.41 C ATOM 117 CG1 ILE A 9 12.422 4.598 -7.484 1.00 70.12 C ATOM 118 CG2 ILE A 9 10.758 3.992 -9.280 1.00 23.42 C ATOM 119 CD1 ILE A 9 11.450 5.526 -6.742 1.00 12.21 C ATOM 0 H ILE A 9 13.177 1.658 -7.243 1.00 71.51 H new ATOM 0 HA ILE A 9 10.659 2.881 -6.547 1.00 65.55 H new ATOM 0 HB ILE A 9 12.541 2.915 -8.852 1.00 74.41 H new ATOM 0 HG12 ILE A 9 13.119 4.179 -6.758 1.00 70.12 H new ATOM 0 HG13 ILE A 9 13.008 5.199 -8.179 1.00 70.12 H new ATOM 0 HG21 ILE A 9 11.238 4.746 -9.904 1.00 23.42 H new ATOM 0 HG22 ILE A 9 10.388 3.183 -9.909 1.00 23.42 H new ATOM 0 HG23 ILE A 9 9.924 4.444 -8.742 1.00 23.42 H new ATOM 0 HD11 ILE A 9 12.012 6.305 -6.227 1.00 12.21 H new ATOM 0 HD12 ILE A 9 10.767 5.984 -7.457 1.00 12.21 H new ATOM 0 HD13 ILE A 9 10.880 4.949 -6.014 1.00 12.21 H new ATOM 131 N PRO A 10 10.498 0.641 -9.042 1.00 13.23 N ATOM 132 CA PRO A 10 9.514 -0.203 -9.714 1.00 21.20 C ATOM 133 C PRO A 10 9.001 -1.332 -8.821 1.00 2.40 C ATOM 134 O PRO A 10 7.957 -1.915 -9.110 1.00 31.24 O ATOM 135 CB PRO A 10 10.214 -0.763 -10.954 1.00 53.03 C ATOM 136 CG PRO A 10 11.693 -0.731 -10.578 1.00 34.51 C ATOM 137 CD PRO A 10 11.779 0.528 -9.720 1.00 32.10 C ATOM 0 HA PRO A 10 8.631 0.381 -9.974 1.00 21.20 H new ATOM 0 HB2 PRO A 10 9.880 -1.776 -11.180 1.00 53.03 H new ATOM 0 HB3 PRO A 10 10.012 -0.156 -11.837 1.00 53.03 H new ATOM 0 HG2 PRO A 10 11.992 -1.622 -10.026 1.00 34.51 H new ATOM 0 HG3 PRO A 10 12.335 -0.670 -11.456 1.00 34.51 H new ATOM 0 HD2 PRO A 10 12.595 0.455 -9.001 1.00 32.10 H new ATOM 0 HD3 PRO A 10 11.973 1.407 -10.335 1.00 32.10 H new ATOM 145 N GLN A 11 9.698 -1.648 -7.731 1.00 25.10 N ATOM 146 CA GLN A 11 9.257 -2.665 -6.800 1.00 74.54 C ATOM 147 C GLN A 11 8.053 -2.223 -5.968 1.00 41.13 C ATOM 148 O GLN A 11 7.372 -3.085 -5.422 1.00 1.22 O ATOM 149 CB GLN A 11 10.423 -3.050 -5.895 1.00 13.32 C ATOM 150 CG GLN A 11 10.360 -4.520 -5.434 1.00 41.23 C ATOM 151 CD GLN A 11 11.671 -5.205 -5.795 1.00 4.14 C ATOM 152 OE1 GLN A 11 12.647 -5.101 -5.054 1.00 64.53 O ATOM 153 NE2 GLN A 11 11.734 -5.821 -6.960 1.00 11.01 N ATOM 0 H GLN A 11 10.580 -1.204 -7.476 1.00 25.10 H new ATOM 0 HA GLN A 11 8.928 -3.529 -7.378 1.00 74.54 H new ATOM 0 HB2 GLN A 11 11.360 -2.880 -6.425 1.00 13.32 H new ATOM 0 HB3 GLN A 11 10.429 -2.399 -5.020 1.00 13.32 H new ATOM 0 HG2 GLN A 11 10.191 -4.571 -4.358 1.00 41.23 H new ATOM 0 HG3 GLN A 11 9.524 -5.030 -5.912 1.00 41.23 H new ATOM 0 HE21 GLN A 11 10.903 -5.887 -7.547 1.00 11.01 H new ATOM 0 HE22 GLN A 11 12.614 -6.231 -7.273 1.00 11.01 H new ATOM 162 N LEU A 12 7.718 -0.930 -5.901 1.00 63.44 N ATOM 163 CA LEU A 12 6.441 -0.517 -5.327 1.00 73.31 C ATOM 164 C LEU A 12 5.285 -1.049 -6.176 1.00 64.53 C ATOM 165 O LEU A 12 4.294 -1.519 -5.626 1.00 73.45 O ATOM 166 CB LEU A 12 6.389 1.018 -5.218 1.00 54.42 C ATOM 167 CG LEU A 12 5.009 1.598 -4.823 1.00 22.20 C ATOM 168 CD1 LEU A 12 4.555 1.134 -3.432 1.00 71.21 C ATOM 169 CD2 LEU A 12 5.066 3.133 -4.826 1.00 74.11 C ATOM 0 H LEU A 12 8.306 -0.165 -6.232 1.00 63.44 H new ATOM 0 HA LEU A 12 6.344 -0.935 -4.325 1.00 73.31 H new ATOM 0 HB2 LEU A 12 7.126 1.340 -4.483 1.00 54.42 H new ATOM 0 HB3 LEU A 12 6.686 1.446 -6.176 1.00 54.42 H new ATOM 0 HG LEU A 12 4.292 1.233 -5.558 1.00 22.20 H new ATOM 0 HD11 LEU A 12 3.582 1.569 -3.203 1.00 71.21 H new ATOM 0 HD12 LEU A 12 4.479 0.047 -3.418 1.00 71.21 H new ATOM 0 HD13 LEU A 12 5.281 1.457 -2.686 1.00 71.21 H new ATOM 0 HD21 LEU A 12 4.091 3.534 -4.547 1.00 74.11 H new ATOM 0 HD22 LEU A 12 5.816 3.471 -4.110 1.00 74.11 H new ATOM 0 HD23 LEU A 12 5.331 3.485 -5.823 1.00 74.11 H new ATOM 181 N VAL A 13 5.438 -0.981 -7.497 1.00 31.40 N ATOM 182 CA VAL A 13 4.392 -1.071 -8.510 1.00 74.14 C ATOM 183 C VAL A 13 3.679 -2.428 -8.513 1.00 64.21 C ATOM 184 O VAL A 13 2.555 -2.532 -9.002 1.00 2.31 O ATOM 185 CB VAL A 13 5.043 -0.775 -9.883 1.00 72.12 C ATOM 186 CG1 VAL A 13 4.047 -0.827 -11.048 1.00 53.03 C ATOM 187 CG2 VAL A 13 5.786 0.576 -9.891 1.00 54.14 C ATOM 0 H VAL A 13 6.360 -0.853 -7.915 1.00 31.40 H new ATOM 0 HA VAL A 13 3.615 -0.340 -8.285 1.00 74.14 H new ATOM 0 HB VAL A 13 5.767 -1.576 -10.033 1.00 72.12 H new ATOM 0 HG11 VAL A 13 4.567 -0.611 -11.981 1.00 53.03 H new ATOM 0 HG12 VAL A 13 3.602 -1.821 -11.102 1.00 53.03 H new ATOM 0 HG13 VAL A 13 3.263 -0.087 -10.890 1.00 53.03 H new ATOM 0 HG21 VAL A 13 6.227 0.743 -10.874 1.00 54.14 H new ATOM 0 HG22 VAL A 13 5.083 1.379 -9.668 1.00 54.14 H new ATOM 0 HG23 VAL A 13 6.573 0.563 -9.137 1.00 54.14 H new ATOM 197 N GLY A 14 4.314 -3.484 -8.008 1.00 71.23 N ATOM 198 CA GLY A 14 3.717 -4.807 -7.920 1.00 54.33 C ATOM 199 C GLY A 14 2.572 -4.847 -6.909 1.00 73.11 C ATOM 200 O GLY A 14 2.084 -3.827 -6.421 1.00 45.34 O ATOM 0 H GLY A 14 5.267 -3.440 -7.646 1.00 71.23 H new ATOM 0 HA2 GLY A 14 3.346 -5.104 -8.901 1.00 54.33 H new ATOM 0 HA3 GLY A 14 4.480 -5.532 -7.634 1.00 54.33 H new ATOM 204 N LYS A 15 2.095 -6.057 -6.629 1.00 73.23 N ATOM 205 CA LYS A 15 0.850 -6.272 -5.895 1.00 13.24 C ATOM 206 C LYS A 15 1.149 -6.649 -4.451 1.00 45.02 C ATOM 207 O LYS A 15 2.199 -7.239 -4.165 1.00 42.32 O ATOM 208 CB LYS A 15 0.037 -7.342 -6.631 1.00 43.01 C ATOM 209 CG LYS A 15 -0.446 -6.819 -7.993 1.00 33.25 C ATOM 210 CD LYS A 15 -0.543 -7.941 -9.022 1.00 51.40 C ATOM 211 CE LYS A 15 -0.882 -7.314 -10.376 1.00 2.05 C ATOM 212 NZ LYS A 15 -0.366 -8.103 -11.506 1.00 72.44 N ATOM 0 H LYS A 15 2.563 -6.920 -6.906 1.00 73.23 H new ATOM 0 HA LYS A 15 0.257 -5.358 -5.856 1.00 13.24 H new ATOM 0 HB2 LYS A 15 0.647 -8.234 -6.774 1.00 43.01 H new ATOM 0 HB3 LYS A 15 -0.820 -7.636 -6.024 1.00 43.01 H new ATOM 0 HG2 LYS A 15 -1.421 -6.346 -7.877 1.00 33.25 H new ATOM 0 HG3 LYS A 15 0.240 -6.052 -8.353 1.00 33.25 H new ATOM 0 HD2 LYS A 15 0.399 -8.487 -9.080 1.00 51.40 H new ATOM 0 HD3 LYS A 15 -1.310 -8.659 -8.732 1.00 51.40 H new ATOM 0 HE2 LYS A 15 -1.964 -7.218 -10.468 1.00 2.05 H new ATOM 0 HE3 LYS A 15 -0.468 -6.307 -10.421 1.00 2.05 H new ATOM 0 HZ1 LYS A 15 -0.621 -7.637 -12.400 1.00 72.44 H new ATOM 0 HZ2 LYS A 15 0.669 -8.174 -11.436 1.00 72.44 H new ATOM 0 HZ3 LYS A 15 -0.781 -9.056 -11.482 1.00 72.44 H new ATOM 226 N TRP A 16 0.225 -6.338 -3.545 1.00 65.21 N ATOM 227 CA TRP A 16 0.480 -6.339 -2.114 1.00 13.11 C ATOM 228 C TRP A 16 -0.816 -6.599 -1.367 1.00 5.24 C ATOM 229 O TRP A 16 -1.720 -5.770 -1.426 1.00 72.11 O ATOM 230 CB TRP A 16 0.977 -4.946 -1.715 1.00 73.21 C ATOM 231 CG TRP A 16 2.290 -4.541 -2.275 1.00 65.40 C ATOM 232 CD1 TRP A 16 2.467 -3.755 -3.361 1.00 71.42 C ATOM 233 CD2 TRP A 16 3.615 -4.915 -1.805 1.00 44.42 C ATOM 234 NE1 TRP A 16 3.812 -3.551 -3.563 1.00 65.24 N ATOM 235 CE2 TRP A 16 4.567 -4.271 -2.652 1.00 51.10 C ATOM 236 CE3 TRP A 16 4.107 -5.734 -0.759 1.00 62.51 C ATOM 237 CZ2 TRP A 16 5.943 -4.438 -2.467 1.00 33.43 C ATOM 238 CZ3 TRP A 16 5.489 -5.903 -0.570 1.00 25.52 C ATOM 239 CH2 TRP A 16 6.401 -5.256 -1.420 1.00 10.42 C ATOM 0 H TRP A 16 -0.730 -6.076 -3.790 1.00 65.21 H new ATOM 0 HA TRP A 16 1.214 -7.108 -1.872 1.00 13.11 H new ATOM 0 HB2 TRP A 16 0.231 -4.213 -2.023 1.00 73.21 H new ATOM 0 HB3 TRP A 16 1.038 -4.901 -0.628 1.00 73.21 H new ATOM 0 HD1 TRP A 16 1.675 -3.350 -3.974 1.00 71.42 H new ATOM 0 HE1 TRP A 16 4.202 -2.949 -4.288 1.00 65.24 H new ATOM 0 HE3 TRP A 16 3.413 -6.234 -0.100 1.00 62.51 H new ATOM 0 HZ2 TRP A 16 6.646 -3.944 -3.121 1.00 33.43 H new ATOM 0 HZ3 TRP A 16 5.851 -6.532 0.230 1.00 25.52 H new ATOM 0 HH2 TRP A 16 7.462 -5.388 -1.268 1.00 10.42 H new ATOM 250 N ILE A 17 -0.923 -7.694 -0.621 1.00 62.21 N ATOM 251 CA ILE A 17 -2.110 -8.004 0.149 1.00 40.20 C ATOM 252 C ILE A 17 -1.877 -7.554 1.587 1.00 12.02 C ATOM 253 O ILE A 17 -0.842 -7.847 2.186 1.00 21.32 O ATOM 254 CB ILE A 17 -2.491 -9.486 -0.030 1.00 13.14 C ATOM 255 CG1 ILE A 17 -3.999 -9.613 0.237 1.00 33.45 C ATOM 256 CG2 ILE A 17 -1.650 -10.438 0.835 1.00 51.40 C ATOM 257 CD1 ILE A 17 -4.560 -10.989 -0.105 1.00 14.23 C ATOM 0 H ILE A 17 -0.183 -8.391 -0.537 1.00 62.21 H new ATOM 0 HA ILE A 17 -2.984 -7.458 -0.207 1.00 40.20 H new ATOM 0 HB ILE A 17 -2.267 -9.797 -1.051 1.00 13.14 H new ATOM 0 HG12 ILE A 17 -4.194 -9.400 1.288 1.00 33.45 H new ATOM 0 HG13 ILE A 17 -4.528 -8.858 -0.344 1.00 33.45 H new ATOM 0 HG21 ILE A 17 -1.969 -11.466 0.661 1.00 51.40 H new ATOM 0 HG22 ILE A 17 -0.597 -10.336 0.571 1.00 51.40 H new ATOM 0 HG23 ILE A 17 -1.786 -10.189 1.887 1.00 51.40 H new ATOM 0 HD11 ILE A 17 -5.629 -11.009 0.107 1.00 14.23 H new ATOM 0 HD12 ILE A 17 -4.396 -11.196 -1.163 1.00 14.23 H new ATOM 0 HD13 ILE A 17 -4.056 -11.747 0.495 1.00 14.23 H new ATOM 269 N VAL A 18 -2.847 -6.849 2.163 1.00 74.31 N ATOM 270 CA VAL A 18 -2.854 -6.313 3.532 1.00 14.01 C ATOM 271 C VAL A 18 -3.085 -7.448 4.554 1.00 62.32 C ATOM 272 O VAL A 18 -3.356 -7.214 5.727 1.00 23.34 O ATOM 273 CB VAL A 18 -3.983 -5.241 3.608 1.00 73.12 C ATOM 274 CG1 VAL A 18 -4.041 -4.484 4.941 1.00 71.45 C ATOM 275 CG2 VAL A 18 -3.862 -4.150 2.530 1.00 62.52 C ATOM 0 H VAL A 18 -3.704 -6.620 1.660 1.00 74.31 H new ATOM 0 HA VAL A 18 -1.894 -5.858 3.776 1.00 14.01 H new ATOM 0 HB VAL A 18 -4.880 -5.844 3.468 1.00 73.12 H new ATOM 0 HG11 VAL A 18 -4.853 -3.757 4.912 1.00 71.45 H new ATOM 0 HG12 VAL A 18 -4.215 -5.190 5.753 1.00 71.45 H new ATOM 0 HG13 VAL A 18 -3.096 -3.966 5.107 1.00 71.45 H new ATOM 0 HG21 VAL A 18 -4.679 -3.437 2.641 1.00 62.52 H new ATOM 0 HG22 VAL A 18 -2.910 -3.631 2.643 1.00 62.52 H new ATOM 0 HG23 VAL A 18 -3.911 -4.608 1.542 1.00 62.52 H new ATOM 285 N LYS A 19 -3.044 -8.707 4.113 1.00 62.43 N ATOM 286 CA LYS A 19 -3.544 -9.867 4.845 1.00 31.45 C ATOM 287 C LYS A 19 -2.525 -10.313 5.897 1.00 44.10 C ATOM 288 O LYS A 19 -2.219 -11.494 6.004 1.00 32.31 O ATOM 289 CB LYS A 19 -3.912 -10.991 3.839 1.00 31.44 C ATOM 290 CG LYS A 19 -4.735 -12.181 4.366 1.00 4.43 C ATOM 291 CD LYS A 19 -5.069 -13.141 3.212 1.00 43.34 C ATOM 292 CE LYS A 19 -5.379 -14.549 3.731 1.00 71.50 C ATOM 293 NZ LYS A 19 -5.582 -15.516 2.630 1.00 51.01 N ATOM 0 H LYS A 19 -2.648 -8.953 3.206 1.00 62.43 H new ATOM 0 HA LYS A 19 -4.452 -9.607 5.389 1.00 31.45 H new ATOM 0 HB2 LYS A 19 -4.466 -10.538 3.017 1.00 31.44 H new ATOM 0 HB3 LYS A 19 -2.985 -11.383 3.420 1.00 31.44 H new ATOM 0 HG2 LYS A 19 -4.174 -12.708 5.138 1.00 4.43 H new ATOM 0 HG3 LYS A 19 -5.654 -11.822 4.829 1.00 4.43 H new ATOM 0 HD2 LYS A 19 -5.925 -12.760 2.655 1.00 43.34 H new ATOM 0 HD3 LYS A 19 -4.230 -13.184 2.517 1.00 43.34 H new ATOM 0 HE2 LYS A 19 -4.561 -14.889 4.365 1.00 71.50 H new ATOM 0 HE3 LYS A 19 -6.273 -14.517 4.354 1.00 71.50 H new ATOM 0 HZ1 LYS A 19 -5.789 -16.455 3.026 1.00 51.01 H new ATOM 0 HZ2 LYS A 19 -6.379 -15.206 2.039 1.00 51.01 H new ATOM 0 HZ3 LYS A 19 -4.720 -15.568 2.050 1.00 51.01 H new ATOM 307 N GLU A 20 -1.907 -9.378 6.606 1.00 12.42 N ATOM 308 CA GLU A 20 -0.707 -9.639 7.365 1.00 72.43 C ATOM 309 C GLU A 20 -0.435 -8.432 8.286 1.00 51.43 C ATOM 310 O GLU A 20 0.055 -7.394 7.819 1.00 44.32 O ATOM 311 CB GLU A 20 0.447 -9.946 6.388 1.00 15.05 C ATOM 312 CG GLU A 20 1.070 -11.333 6.588 1.00 33.11 C ATOM 313 CD GLU A 20 2.053 -11.265 7.754 1.00 12.43 C ATOM 314 OE1 GLU A 20 1.603 -11.006 8.890 1.00 0.31 O ATOM 315 OE2 GLU A 20 3.285 -11.313 7.526 1.00 32.44 O ATOM 0 H GLU A 20 -2.232 -8.413 6.666 1.00 12.42 H new ATOM 0 HA GLU A 20 -0.813 -10.513 8.008 1.00 72.43 H new ATOM 0 HB2 GLU A 20 0.077 -9.867 5.366 1.00 15.05 H new ATOM 0 HB3 GLU A 20 1.222 -9.189 6.505 1.00 15.05 H new ATOM 0 HG2 GLU A 20 0.293 -12.070 6.791 1.00 33.11 H new ATOM 0 HG3 GLU A 20 1.582 -11.652 5.680 1.00 33.11 H new ATOM 322 N PRO A 21 -0.767 -8.521 9.587 1.00 0.14 N ATOM 323 CA PRO A 21 -1.710 -9.483 10.144 1.00 13.45 C ATOM 324 C PRO A 21 -3.140 -9.189 9.648 1.00 24.02 C ATOM 325 O PRO A 21 -3.482 -8.054 9.300 1.00 35.35 O ATOM 326 CB PRO A 21 -1.573 -9.385 11.665 1.00 75.22 C ATOM 327 CG PRO A 21 -0.962 -8.007 11.914 1.00 64.31 C ATOM 328 CD PRO A 21 -0.257 -7.626 10.609 1.00 35.41 C ATOM 0 HA PRO A 21 -1.497 -10.502 9.821 1.00 13.45 H new ATOM 0 HB2 PRO A 21 -2.541 -9.483 12.156 1.00 75.22 H new ATOM 0 HB3 PRO A 21 -0.935 -10.177 12.057 1.00 75.22 H new ATOM 0 HG2 PRO A 21 -1.731 -7.278 12.171 1.00 64.31 H new ATOM 0 HG3 PRO A 21 -0.258 -8.035 12.746 1.00 64.31 H new ATOM 0 HD2 PRO A 21 -0.458 -6.587 10.349 1.00 35.41 H new ATOM 0 HD3 PRO A 21 0.824 -7.727 10.708 1.00 35.41 H new ATOM 336 N VAL A 22 -3.967 -10.231 9.580 1.00 32.22 N ATOM 337 CA VAL A 22 -5.257 -10.256 8.884 1.00 40.20 C ATOM 338 C VAL A 22 -6.279 -9.321 9.562 1.00 13.24 C ATOM 339 O VAL A 22 -6.069 -8.864 10.691 1.00 40.10 O ATOM 340 CB VAL A 22 -5.744 -11.727 8.758 1.00 23.03 C ATOM 341 CG1 VAL A 22 -6.885 -11.863 7.739 1.00 53.21 C ATOM 342 CG2 VAL A 22 -4.616 -12.662 8.291 1.00 75.13 C ATOM 0 H VAL A 22 -3.749 -11.121 10.028 1.00 32.22 H new ATOM 0 HA VAL A 22 -5.141 -9.864 7.873 1.00 40.20 H new ATOM 0 HB VAL A 22 -6.086 -12.008 9.754 1.00 23.03 H new ATOM 0 HG11 VAL A 22 -7.197 -12.906 7.680 1.00 53.21 H new ATOM 0 HG12 VAL A 22 -7.729 -11.249 8.053 1.00 53.21 H new ATOM 0 HG13 VAL A 22 -6.540 -11.531 6.760 1.00 53.21 H new ATOM 0 HG21 VAL A 22 -4.996 -13.681 8.215 1.00 75.13 H new ATOM 0 HG22 VAL A 22 -4.254 -12.336 7.316 1.00 75.13 H new ATOM 0 HG23 VAL A 22 -3.798 -12.632 9.010 1.00 75.13 H new ATOM 352 N LEU A 23 -7.390 -9.009 8.885 1.00 71.02 N ATOM 353 CA LEU A 23 -8.518 -8.297 9.483 1.00 32.32 C ATOM 354 C LEU A 23 -9.594 -9.284 9.919 1.00 73.11 C ATOM 355 O LEU A 23 -9.745 -10.363 9.341 1.00 14.24 O ATOM 356 CB LEU A 23 -9.144 -7.288 8.505 1.00 1.53 C ATOM 357 CG LEU A 23 -8.267 -6.083 8.119 1.00 0.22 C ATOM 358 CD1 LEU A 23 -9.159 -5.044 7.425 1.00 64.31 C ATOM 359 CD2 LEU A 23 -7.591 -5.431 9.330 1.00 60.20 C ATOM 0 H LEU A 23 -7.530 -9.246 7.903 1.00 71.02 H new ATOM 0 HA LEU A 23 -8.130 -7.753 10.344 1.00 32.32 H new ATOM 0 HB2 LEU A 23 -9.418 -7.819 7.593 1.00 1.53 H new ATOM 0 HB3 LEU A 23 -10.068 -6.913 8.945 1.00 1.53 H new ATOM 0 HG LEU A 23 -7.474 -6.440 7.461 1.00 0.22 H new ATOM 0 HD11 LEU A 23 -8.558 -4.180 7.142 1.00 64.31 H new ATOM 0 HD12 LEU A 23 -9.604 -5.484 6.533 1.00 64.31 H new ATOM 0 HD13 LEU A 23 -9.949 -4.729 8.107 1.00 64.31 H new ATOM 0 HD21 LEU A 23 -6.986 -4.587 8.998 1.00 60.20 H new ATOM 0 HD22 LEU A 23 -8.352 -5.080 10.026 1.00 60.20 H new ATOM 0 HD23 LEU A 23 -6.953 -6.162 9.828 1.00 60.20 H new ATOM 371 N GLN A 24 -10.364 -8.860 10.918 1.00 20.04 N ATOM 372 CA GLN A 24 -11.595 -9.501 11.368 1.00 24.22 C ATOM 373 C GLN A 24 -12.732 -9.181 10.393 1.00 21.04 C ATOM 374 O GLN A 24 -12.528 -8.469 9.405 1.00 60.24 O ATOM 375 CB GLN A 24 -11.911 -9.007 12.797 1.00 2.21 C ATOM 376 CG GLN A 24 -11.097 -9.754 13.864 1.00 62.12 C ATOM 377 CD GLN A 24 -11.580 -11.198 13.973 1.00 62.10 C ATOM 378 OE1 GLN A 24 -10.956 -12.130 13.470 1.00 1.31 O ATOM 379 NE2 GLN A 24 -12.743 -11.404 14.559 1.00 40.14 N ATOM 0 H GLN A 24 -10.137 -8.025 11.458 1.00 20.04 H new ATOM 0 HA GLN A 24 -11.479 -10.585 11.390 1.00 24.22 H new ATOM 0 HB2 GLN A 24 -11.702 -7.939 12.865 1.00 2.21 H new ATOM 0 HB3 GLN A 24 -12.975 -9.137 12.997 1.00 2.21 H new ATOM 0 HG2 GLN A 24 -10.038 -9.735 13.605 1.00 62.12 H new ATOM 0 HG3 GLN A 24 -11.199 -9.254 14.827 1.00 62.12 H new ATOM 0 HE21 GLN A 24 -13.251 -10.622 14.973 1.00 40.14 H new ATOM 0 HE22 GLN A 24 -13.135 -12.345 14.599 1.00 40.14 H new ATOM 388 N ASP A 25 -13.941 -9.681 10.684 1.00 1.54 N ATOM 389 CA ASP A 25 -15.182 -9.385 9.953 1.00 54.14 C ATOM 390 C ASP A 25 -15.146 -9.986 8.536 1.00 42.30 C ATOM 391 O ASP A 25 -15.946 -9.650 7.663 1.00 34.11 O ATOM 392 CB ASP A 25 -15.439 -7.868 9.972 1.00 42.42 C ATOM 393 CG ASP A 25 -16.892 -7.439 9.816 1.00 73.10 C ATOM 394 OD1 ASP A 25 -17.730 -7.882 10.637 1.00 14.25 O ATOM 395 OD2 ASP A 25 -17.129 -6.463 9.069 1.00 54.43 O ATOM 0 H ASP A 25 -14.087 -10.325 11.461 1.00 1.54 H new ATOM 0 HA ASP A 25 -16.028 -9.861 10.449 1.00 54.14 H new ATOM 0 HB2 ASP A 25 -15.060 -7.466 10.912 1.00 42.42 H new ATOM 0 HB3 ASP A 25 -14.857 -7.410 9.172 1.00 42.42 H new ATOM 400 N ASP A 26 -14.166 -10.870 8.324 1.00 72.30 N ATOM 401 CA ASP A 26 -13.769 -11.561 7.099 1.00 62.32 C ATOM 402 C ASP A 26 -13.506 -10.627 5.915 1.00 20.05 C ATOM 403 O ASP A 26 -13.518 -11.050 4.755 1.00 20.13 O ATOM 404 CB ASP A 26 -14.703 -12.750 6.829 1.00 34.41 C ATOM 405 CG ASP A 26 -14.248 -13.922 7.691 1.00 11.41 C ATOM 406 OD1 ASP A 26 -13.259 -14.596 7.327 1.00 33.03 O ATOM 407 OD2 ASP A 26 -14.794 -14.134 8.795 1.00 75.11 O ATOM 0 H ASP A 26 -13.564 -11.149 9.099 1.00 72.30 H new ATOM 0 HA ASP A 26 -12.780 -11.992 7.254 1.00 62.32 H new ATOM 0 HB2 ASP A 26 -15.734 -12.484 7.063 1.00 34.41 H new ATOM 0 HB3 ASP A 26 -14.676 -13.022 5.774 1.00 34.41 H new ATOM 412 N PHE A 27 -13.236 -9.348 6.185 1.00 34.34 N ATOM 413 CA PHE A 27 -12.708 -8.417 5.222 1.00 3.45 C ATOM 414 C PHE A 27 -11.245 -8.745 4.963 1.00 43.40 C ATOM 415 O PHE A 27 -10.543 -9.357 5.769 1.00 40.13 O ATOM 416 CB PHE A 27 -12.841 -6.981 5.739 1.00 11.32 C ATOM 417 CG PHE A 27 -14.174 -6.355 5.400 1.00 55.44 C ATOM 418 CD1 PHE A 27 -15.328 -6.606 6.162 1.00 52.12 C ATOM 419 CD2 PHE A 27 -14.262 -5.524 4.274 1.00 1.21 C ATOM 420 CE1 PHE A 27 -16.551 -6.011 5.808 1.00 42.21 C ATOM 421 CE2 PHE A 27 -15.479 -4.932 3.915 1.00 11.14 C ATOM 422 CZ PHE A 27 -16.625 -5.169 4.686 1.00 64.34 C ATOM 0 H PHE A 27 -13.387 -8.935 7.105 1.00 34.34 H new ATOM 0 HA PHE A 27 -13.272 -8.500 4.293 1.00 3.45 H new ATOM 0 HB2 PHE A 27 -12.708 -6.976 6.821 1.00 11.32 H new ATOM 0 HB3 PHE A 27 -12.042 -6.373 5.316 1.00 11.32 H new ATOM 0 HD1 PHE A 27 -15.275 -7.258 7.022 1.00 52.12 H new ATOM 0 HD2 PHE A 27 -13.381 -5.339 3.677 1.00 1.21 H new ATOM 0 HE1 PHE A 27 -17.435 -6.201 6.399 1.00 42.21 H new ATOM 0 HE2 PHE A 27 -15.534 -4.294 3.045 1.00 11.14 H new ATOM 0 HZ PHE A 27 -17.563 -4.705 4.418 1.00 64.34 H new ATOM 432 N VAL A 28 -10.814 -8.266 3.814 1.00 24.02 N ATOM 433 CA VAL A 28 -9.470 -8.291 3.264 1.00 15.35 C ATOM 434 C VAL A 28 -9.289 -6.998 2.462 1.00 53.30 C ATOM 435 O VAL A 28 -10.264 -6.285 2.177 1.00 54.31 O ATOM 436 CB VAL A 28 -9.270 -9.556 2.390 1.00 40.43 C ATOM 437 CG1 VAL A 28 -9.034 -10.813 3.239 1.00 23.31 C ATOM 438 CG2 VAL A 28 -10.445 -9.819 1.431 1.00 43.43 C ATOM 0 H VAL A 28 -11.461 -7.802 3.176 1.00 24.02 H new ATOM 0 HA VAL A 28 -8.717 -8.341 4.050 1.00 15.35 H new ATOM 0 HB VAL A 28 -8.381 -9.347 1.796 1.00 40.43 H new ATOM 0 HG11 VAL A 28 -8.899 -11.674 2.584 1.00 23.31 H new ATOM 0 HG12 VAL A 28 -8.141 -10.678 3.849 1.00 23.31 H new ATOM 0 HG13 VAL A 28 -9.894 -10.981 3.887 1.00 23.31 H new ATOM 0 HG21 VAL A 28 -10.244 -10.718 0.848 1.00 43.43 H new ATOM 0 HG22 VAL A 28 -11.360 -9.957 2.006 1.00 43.43 H new ATOM 0 HG23 VAL A 28 -10.563 -8.969 0.759 1.00 43.43 H new ATOM 448 N THR A 29 -8.045 -6.684 2.110 1.00 70.10 N ATOM 449 CA THR A 29 -7.665 -5.665 1.145 1.00 14.34 C ATOM 450 C THR A 29 -6.321 -6.043 0.493 1.00 21.13 C ATOM 451 O THR A 29 -5.511 -6.788 1.066 1.00 52.34 O ATOM 452 CB THR A 29 -7.570 -4.296 1.851 1.00 43.11 C ATOM 453 OG1 THR A 29 -8.731 -4.019 2.612 1.00 51.15 O ATOM 454 CG2 THR A 29 -7.284 -3.103 0.928 1.00 62.43 C ATOM 0 H THR A 29 -7.237 -7.159 2.512 1.00 70.10 H new ATOM 0 HA THR A 29 -8.420 -5.599 0.361 1.00 14.34 H new ATOM 0 HB THR A 29 -6.702 -4.403 2.501 1.00 43.11 H new ATOM 0 HG1 THR A 29 -8.637 -3.146 3.047 1.00 51.15 H new ATOM 0 HG21 THR A 29 -7.236 -2.189 1.519 1.00 62.43 H new ATOM 0 HG22 THR A 29 -6.332 -3.256 0.420 1.00 62.43 H new ATOM 0 HG23 THR A 29 -8.080 -3.016 0.189 1.00 62.43 H new ATOM 462 N CYS A 30 -6.031 -5.459 -0.666 1.00 13.01 N ATOM 463 CA CYS A 30 -4.750 -5.376 -1.336 1.00 44.24 C ATOM 464 C CYS A 30 -4.534 -3.948 -1.868 1.00 43.14 C ATOM 465 O CYS A 30 -5.441 -3.120 -1.820 1.00 70.51 O ATOM 466 CB CYS A 30 -4.693 -6.429 -2.450 1.00 43.41 C ATOM 467 SG CYS A 30 -5.927 -6.077 -3.732 1.00 23.55 S ATOM 0 H CYS A 30 -6.759 -4.990 -1.205 1.00 13.01 H new ATOM 0 HA CYS A 30 -3.940 -5.587 -0.638 1.00 44.24 H new ATOM 0 HB2 CYS A 30 -3.697 -6.444 -2.892 1.00 43.41 H new ATOM 0 HB3 CYS A 30 -4.870 -7.419 -2.030 1.00 43.41 H new ATOM 0 HG CYS A 30 -5.856 -6.981 -4.663 1.00 23.55 H new ATOM 473 N TYR A 31 -3.327 -3.651 -2.350 1.00 73.15 N ATOM 474 CA TYR A 31 -2.896 -2.344 -2.832 1.00 32.31 C ATOM 475 C TYR A 31 -2.026 -2.572 -4.062 1.00 14.31 C ATOM 476 O TYR A 31 -0.851 -2.932 -3.940 1.00 1.32 O ATOM 477 CB TYR A 31 -2.078 -1.615 -1.754 1.00 64.23 C ATOM 478 CG TYR A 31 -2.880 -0.827 -0.743 1.00 71.32 C ATOM 479 CD1 TYR A 31 -3.454 -1.490 0.351 1.00 1.44 C ATOM 480 CD2 TYR A 31 -3.032 0.567 -0.880 1.00 5.03 C ATOM 481 CE1 TYR A 31 -4.200 -0.775 1.299 1.00 3.33 C ATOM 482 CE2 TYR A 31 -3.754 1.297 0.079 1.00 64.53 C ATOM 483 CZ TYR A 31 -4.358 0.618 1.163 1.00 73.11 C ATOM 484 OH TYR A 31 -5.113 1.302 2.057 1.00 11.34 O ATOM 0 H TYR A 31 -2.589 -4.352 -2.417 1.00 73.15 H new ATOM 0 HA TYR A 31 -3.764 -1.730 -3.073 1.00 32.31 H new ATOM 0 HB2 TYR A 31 -1.478 -2.351 -1.220 1.00 64.23 H new ATOM 0 HB3 TYR A 31 -1.384 -0.936 -2.248 1.00 64.23 H new ATOM 0 HD1 TYR A 31 -3.321 -2.556 0.464 1.00 1.44 H new ATOM 0 HD2 TYR A 31 -2.592 1.076 -1.725 1.00 5.03 H new ATOM 0 HE1 TYR A 31 -4.653 -1.292 2.132 1.00 3.33 H new ATOM 0 HE2 TYR A 31 -3.847 2.369 -0.011 1.00 64.53 H new ATOM 0 HH TYR A 31 -4.535 1.877 2.601 1.00 11.34 H new ATOM 494 N THR A 32 -2.579 -2.363 -5.252 1.00 70.21 N ATOM 495 CA THR A 32 -1.785 -2.362 -6.476 1.00 73.45 C ATOM 496 C THR A 32 -1.489 -0.903 -6.814 1.00 25.41 C ATOM 497 O THR A 32 -2.380 -0.056 -6.709 1.00 10.12 O ATOM 498 CB THR A 32 -2.538 -3.082 -7.608 1.00 52.02 C ATOM 499 OG1 THR A 32 -3.098 -4.292 -7.136 1.00 30.34 O ATOM 500 CG2 THR A 32 -1.566 -3.436 -8.734 1.00 51.42 C ATOM 0 H THR A 32 -3.574 -2.192 -5.395 1.00 70.21 H new ATOM 0 HA THR A 32 -0.849 -2.905 -6.344 1.00 73.45 H new ATOM 0 HB THR A 32 -3.323 -2.416 -7.966 1.00 52.02 H new ATOM 0 HG1 THR A 32 -3.575 -4.738 -7.866 1.00 30.34 H new ATOM 0 HG21 THR A 32 -2.105 -3.946 -9.533 1.00 51.42 H new ATOM 0 HG22 THR A 32 -1.115 -2.524 -9.125 1.00 51.42 H new ATOM 0 HG23 THR A 32 -0.785 -4.091 -8.348 1.00 51.42 H new ATOM 508 N PHE A 33 -0.251 -0.569 -7.180 1.00 24.20 N ATOM 509 CA PHE A 33 0.068 0.753 -7.731 1.00 45.13 C ATOM 510 C PHE A 33 0.304 0.590 -9.229 1.00 51.32 C ATOM 511 O PHE A 33 0.448 -0.528 -9.722 1.00 34.42 O ATOM 512 CB PHE A 33 1.246 1.418 -6.990 1.00 70.55 C ATOM 513 CG PHE A 33 1.052 1.481 -5.491 1.00 3.23 C ATOM 514 CD1 PHE A 33 1.191 0.322 -4.706 1.00 63.42 C ATOM 515 CD2 PHE A 33 0.673 2.692 -4.884 1.00 13.44 C ATOM 516 CE1 PHE A 33 0.863 0.359 -3.345 1.00 51.13 C ATOM 517 CE2 PHE A 33 0.402 2.744 -3.509 1.00 73.41 C ATOM 518 CZ PHE A 33 0.467 1.570 -2.744 1.00 31.14 C ATOM 0 H PHE A 33 0.550 -1.196 -7.105 1.00 24.20 H new ATOM 0 HA PHE A 33 -0.766 1.439 -7.581 1.00 45.13 H new ATOM 0 HB2 PHE A 33 2.161 0.867 -7.208 1.00 70.55 H new ATOM 0 HB3 PHE A 33 1.384 2.429 -7.374 1.00 70.55 H new ATOM 0 HD1 PHE A 33 1.550 -0.594 -5.152 1.00 63.42 H new ATOM 0 HD2 PHE A 33 0.590 3.588 -5.481 1.00 13.44 H new ATOM 0 HE1 PHE A 33 0.914 -0.544 -2.754 1.00 51.13 H new ATOM 0 HE2 PHE A 33 0.145 3.683 -3.042 1.00 73.41 H new ATOM 0 HZ PHE A 33 0.214 1.595 -1.694 1.00 31.14 H new ATOM 528 N ASN A 34 0.336 1.687 -9.979 1.00 50.13 N ATOM 529 CA ASN A 34 0.900 1.677 -11.327 1.00 52.34 C ATOM 530 C ASN A 34 2.347 2.149 -11.254 1.00 72.31 C ATOM 531 O ASN A 34 2.799 2.556 -10.187 1.00 45.14 O ATOM 532 CB ASN A 34 0.067 2.549 -12.275 1.00 72.23 C ATOM 533 CG ASN A 34 -1.092 1.766 -12.873 1.00 14.10 C ATOM 534 OD1 ASN A 34 -1.104 1.509 -14.077 1.00 72.32 O ATOM 535 ND2 ASN A 34 -2.030 1.342 -12.047 1.00 23.11 N ATOM 0 H ASN A 34 -0.021 2.594 -9.678 1.00 50.13 H new ATOM 0 HA ASN A 34 0.876 0.665 -11.730 1.00 52.34 H new ATOM 0 HB2 ASN A 34 -0.317 3.414 -11.734 1.00 72.23 H new ATOM 0 HB3 ASN A 34 0.702 2.930 -13.075 1.00 72.23 H new ATOM 0 HD21 ASN A 34 -2.803 0.778 -12.400 1.00 23.11 H new ATOM 0 HD22 ASN A 34 -1.981 1.578 -11.056 1.00 23.11 H new ATOM 542 N ALA A 35 3.045 2.126 -12.397 1.00 54.15 N ATOM 543 CA ALA A 35 4.425 2.582 -12.565 1.00 22.52 C ATOM 544 C ALA A 35 4.656 3.931 -11.881 1.00 34.10 C ATOM 545 O ALA A 35 5.702 4.165 -11.285 1.00 43.33 O ATOM 546 CB ALA A 35 4.744 2.665 -14.061 1.00 43.05 C ATOM 0 H ALA A 35 2.643 1.773 -13.266 1.00 54.15 H new ATOM 0 HA ALA A 35 5.095 1.866 -12.089 1.00 22.52 H new ATOM 0 HB1 ALA A 35 5.771 3.004 -14.196 1.00 43.05 H new ATOM 0 HB2 ALA A 35 4.625 1.681 -14.514 1.00 43.05 H new ATOM 0 HB3 ALA A 35 4.064 3.369 -14.540 1.00 43.05 H new ATOM 552 N ASP A 36 3.653 4.800 -11.979 1.00 50.04 N ATOM 553 CA ASP A 36 3.565 6.126 -11.379 1.00 64.45 C ATOM 554 C ASP A 36 2.135 6.674 -11.426 1.00 45.35 C ATOM 555 O ASP A 36 1.766 7.544 -10.637 1.00 63.11 O ATOM 556 CB ASP A 36 4.519 7.104 -12.085 1.00 54.22 C ATOM 557 CG ASP A 36 4.271 7.319 -13.584 1.00 52.24 C ATOM 558 OD1 ASP A 36 3.954 6.354 -14.318 1.00 32.23 O ATOM 559 OD2 ASP A 36 4.545 8.455 -14.033 1.00 2.20 O ATOM 0 H ASP A 36 2.818 4.577 -12.521 1.00 50.04 H new ATOM 0 HA ASP A 36 3.858 6.028 -10.334 1.00 64.45 H new ATOM 0 HB2 ASP A 36 4.454 8.070 -11.584 1.00 54.22 H new ATOM 0 HB3 ASP A 36 5.539 6.744 -11.953 1.00 54.22 H new ATOM 564 N LYS A 37 1.297 6.169 -12.336 1.00 52.32 N ATOM 565 CA LYS A 37 0.210 6.959 -12.893 1.00 54.03 C ATOM 566 C LYS A 37 -1.113 6.923 -12.128 1.00 64.55 C ATOM 567 O LYS A 37 -1.977 7.724 -12.475 1.00 12.20 O ATOM 568 CB LYS A 37 0.086 6.581 -14.364 1.00 3.23 C ATOM 569 CG LYS A 37 -0.614 5.244 -14.598 1.00 64.41 C ATOM 570 CD LYS A 37 -2.051 5.402 -15.094 1.00 34.23 C ATOM 571 CE LYS A 37 -2.543 4.144 -15.830 1.00 74.31 C ATOM 572 NZ LYS A 37 -1.813 3.910 -17.096 1.00 65.43 N ATOM 0 H LYS A 37 1.355 5.217 -12.698 1.00 52.32 H new ATOM 0 HA LYS A 37 0.468 8.013 -12.787 1.00 54.03 H new ATOM 0 HB2 LYS A 37 -0.463 7.365 -14.886 1.00 3.23 H new ATOM 0 HB3 LYS A 37 1.082 6.542 -14.805 1.00 3.23 H new ATOM 0 HG2 LYS A 37 -0.046 4.665 -15.326 1.00 64.41 H new ATOM 0 HG3 LYS A 37 -0.617 4.674 -13.669 1.00 64.41 H new ATOM 0 HD2 LYS A 37 -2.707 5.608 -14.248 1.00 34.23 H new ATOM 0 HD3 LYS A 37 -2.113 6.261 -15.762 1.00 34.23 H new ATOM 0 HE2 LYS A 37 -2.425 3.277 -15.180 1.00 74.31 H new ATOM 0 HE3 LYS A 37 -3.608 4.243 -16.041 1.00 74.31 H new ATOM 0 HZ1 LYS A 37 -2.381 3.299 -17.717 1.00 65.43 H new ATOM 0 HZ2 LYS A 37 -1.640 4.819 -17.570 1.00 65.43 H new ATOM 0 HZ3 LYS A 37 -0.904 3.447 -16.892 1.00 65.43 H new ATOM 586 N THR A 38 -1.298 6.006 -11.168 1.00 24.51 N ATOM 587 CA THR A 38 -2.505 5.802 -10.357 1.00 50.42 C ATOM 588 C THR A 38 -2.250 4.654 -9.353 1.00 21.31 C ATOM 589 O THR A 38 -1.144 4.099 -9.325 1.00 51.12 O ATOM 590 CB THR A 38 -3.741 5.572 -11.279 1.00 3.40 C ATOM 591 OG1 THR A 38 -4.978 5.670 -10.609 1.00 50.45 O ATOM 592 CG2 THR A 38 -3.717 4.222 -11.984 1.00 5.11 C ATOM 0 H THR A 38 -0.561 5.345 -10.922 1.00 24.51 H new ATOM 0 HA THR A 38 -2.735 6.692 -9.771 1.00 50.42 H new ATOM 0 HB THR A 38 -3.658 6.379 -12.007 1.00 3.40 H new ATOM 0 HG1 THR A 38 -4.993 6.486 -10.067 1.00 50.45 H new ATOM 0 HG21 THR A 38 -4.604 4.123 -12.610 1.00 5.11 H new ATOM 0 HG22 THR A 38 -2.824 4.152 -12.605 1.00 5.11 H new ATOM 0 HG23 THR A 38 -3.706 3.424 -11.242 1.00 5.11 H new ATOM 600 N TYR A 39 -3.261 4.284 -8.553 1.00 50.23 N ATOM 601 CA TYR A 39 -3.333 3.052 -7.766 1.00 4.10 C ATOM 602 C TYR A 39 -4.698 2.395 -7.909 1.00 34.30 C ATOM 603 O TYR A 39 -5.579 2.947 -8.565 1.00 54.33 O ATOM 604 CB TYR A 39 -2.976 3.275 -6.284 1.00 54.41 C ATOM 605 CG TYR A 39 -4.025 3.872 -5.326 1.00 5.24 C ATOM 606 CD1 TYR A 39 -4.554 5.162 -5.523 1.00 5.44 C ATOM 607 CD2 TYR A 39 -4.403 3.178 -4.156 1.00 65.21 C ATOM 608 CE1 TYR A 39 -5.414 5.761 -4.574 1.00 30.11 C ATOM 609 CE2 TYR A 39 -5.266 3.765 -3.208 1.00 45.11 C ATOM 610 CZ TYR A 39 -5.792 5.062 -3.406 1.00 44.05 C ATOM 611 OH TYR A 39 -6.626 5.602 -2.469 1.00 74.33 O ATOM 0 H TYR A 39 -4.089 4.867 -8.434 1.00 50.23 H new ATOM 0 HA TYR A 39 -2.580 2.375 -8.169 1.00 4.10 H new ATOM 0 HB2 TYR A 39 -2.672 2.312 -5.874 1.00 54.41 H new ATOM 0 HB3 TYR A 39 -2.101 3.925 -6.254 1.00 54.41 H new ATOM 0 HD1 TYR A 39 -4.297 5.706 -6.420 1.00 5.44 H new ATOM 0 HD2 TYR A 39 -4.025 2.181 -3.984 1.00 65.21 H new ATOM 0 HE1 TYR A 39 -5.785 6.761 -4.743 1.00 30.11 H new ATOM 0 HE2 TYR A 39 -5.529 3.215 -2.317 1.00 45.11 H new ATOM 0 HH TYR A 39 -7.095 6.372 -2.853 1.00 74.33 H new ATOM 621 N GLU A 40 -4.865 1.245 -7.257 1.00 51.35 N ATOM 622 CA GLU A 40 -6.123 0.565 -7.020 1.00 61.25 C ATOM 623 C GLU A 40 -6.108 0.100 -5.556 1.00 65.11 C ATOM 624 O GLU A 40 -5.084 -0.379 -5.061 1.00 52.15 O ATOM 625 CB GLU A 40 -6.235 -0.667 -7.925 1.00 63.21 C ATOM 626 CG GLU A 40 -6.468 -0.384 -9.410 1.00 65.41 C ATOM 627 CD GLU A 40 -6.258 -1.648 -10.255 1.00 13.31 C ATOM 628 OE1 GLU A 40 -6.644 -2.768 -9.830 1.00 44.04 O ATOM 629 OE2 GLU A 40 -5.674 -1.546 -11.354 1.00 45.43 O ATOM 0 H GLU A 40 -4.074 0.739 -6.859 1.00 51.35 H new ATOM 0 HA GLU A 40 -6.962 1.229 -7.228 1.00 61.25 H new ATOM 0 HB2 GLU A 40 -5.321 -1.252 -7.825 1.00 63.21 H new ATOM 0 HB3 GLU A 40 -7.053 -1.289 -7.560 1.00 63.21 H new ATOM 0 HG2 GLU A 40 -7.481 -0.009 -9.557 1.00 65.41 H new ATOM 0 HG3 GLU A 40 -5.787 0.398 -9.745 1.00 65.41 H new ATOM 636 N VAL A 41 -7.251 0.175 -4.883 1.00 22.14 N ATOM 637 CA VAL A 41 -7.541 -0.397 -3.563 1.00 30.11 C ATOM 638 C VAL A 41 -9.046 -0.713 -3.554 1.00 64.53 C ATOM 639 O VAL A 41 -9.775 -0.167 -4.384 1.00 61.14 O ATOM 640 CB VAL A 41 -7.125 0.598 -2.443 1.00 51.44 C ATOM 641 CG1 VAL A 41 -8.022 1.844 -2.320 1.00 10.31 C ATOM 642 CG2 VAL A 41 -7.048 -0.058 -1.058 1.00 74.31 C ATOM 0 H VAL A 41 -8.057 0.669 -5.267 1.00 22.14 H new ATOM 0 HA VAL A 41 -6.974 -1.308 -3.372 1.00 30.11 H new ATOM 0 HB VAL A 41 -6.135 0.918 -2.768 1.00 51.44 H new ATOM 0 HG11 VAL A 41 -7.655 2.479 -1.514 1.00 10.31 H new ATOM 0 HG12 VAL A 41 -8.002 2.400 -3.257 1.00 10.31 H new ATOM 0 HG13 VAL A 41 -9.045 1.536 -2.102 1.00 10.31 H new ATOM 0 HG21 VAL A 41 -6.753 0.687 -0.319 1.00 74.31 H new ATOM 0 HG22 VAL A 41 -8.024 -0.465 -0.794 1.00 74.31 H new ATOM 0 HG23 VAL A 41 -6.312 -0.862 -1.077 1.00 74.31 H new ATOM 652 N TYR A 42 -9.544 -1.533 -2.628 1.00 10.40 N ATOM 653 CA TYR A 42 -10.970 -1.682 -2.324 1.00 62.51 C ATOM 654 C TYR A 42 -11.110 -2.344 -0.955 1.00 13.00 C ATOM 655 O TYR A 42 -10.107 -2.526 -0.267 1.00 63.15 O ATOM 656 CB TYR A 42 -11.699 -2.464 -3.432 1.00 62.24 C ATOM 657 CG TYR A 42 -11.455 -3.950 -3.581 1.00 42.35 C ATOM 658 CD1 TYR A 42 -10.200 -4.412 -4.003 1.00 54.13 C ATOM 659 CD2 TYR A 42 -12.521 -4.860 -3.448 1.00 45.35 C ATOM 660 CE1 TYR A 42 -10.019 -5.753 -4.374 1.00 24.34 C ATOM 661 CE2 TYR A 42 -12.338 -6.209 -3.794 1.00 65.41 C ATOM 662 CZ TYR A 42 -11.090 -6.662 -4.272 1.00 5.24 C ATOM 663 OH TYR A 42 -10.915 -7.949 -4.658 1.00 21.32 O ATOM 0 H TYR A 42 -8.951 -2.130 -2.052 1.00 10.40 H new ATOM 0 HA TYR A 42 -11.446 -0.702 -2.288 1.00 62.51 H new ATOM 0 HB2 TYR A 42 -12.769 -2.323 -3.281 1.00 62.24 H new ATOM 0 HB3 TYR A 42 -11.446 -1.995 -4.383 1.00 62.24 H new ATOM 0 HD1 TYR A 42 -9.364 -3.729 -4.043 1.00 54.13 H new ATOM 0 HD2 TYR A 42 -13.478 -4.521 -3.080 1.00 45.35 H new ATOM 0 HE1 TYR A 42 -9.059 -6.088 -4.738 1.00 24.34 H new ATOM 0 HE2 TYR A 42 -13.158 -6.904 -3.693 1.00 65.41 H new ATOM 0 HH TYR A 42 -11.748 -8.447 -4.524 1.00 21.32 H new ATOM 673 N THR A 43 -12.319 -2.734 -0.554 1.00 12.42 N ATOM 674 CA THR A 43 -12.479 -3.596 0.610 1.00 3.33 C ATOM 675 C THR A 43 -13.499 -4.696 0.325 1.00 42.15 C ATOM 676 O THR A 43 -14.401 -4.546 -0.509 1.00 31.14 O ATOM 677 CB THR A 43 -12.854 -2.796 1.880 1.00 50.35 C ATOM 678 OG1 THR A 43 -12.900 -1.389 1.705 1.00 43.21 O ATOM 679 CG2 THR A 43 -11.877 -3.087 3.021 1.00 61.24 C ATOM 0 H THR A 43 -13.191 -2.469 -1.013 1.00 12.42 H new ATOM 0 HA THR A 43 -11.515 -4.064 0.808 1.00 3.33 H new ATOM 0 HB THR A 43 -13.863 -3.134 2.116 1.00 50.35 H new ATOM 0 HG1 THR A 43 -13.145 -0.962 2.552 1.00 43.21 H new ATOM 0 HG21 THR A 43 -12.164 -2.512 3.901 1.00 61.24 H new ATOM 0 HG22 THR A 43 -11.902 -4.150 3.259 1.00 61.24 H new ATOM 0 HG23 THR A 43 -10.869 -2.806 2.717 1.00 61.24 H new ATOM 687 N GLY A 44 -13.392 -5.787 1.084 1.00 42.33 N ATOM 688 CA GLY A 44 -14.369 -6.857 1.064 1.00 74.02 C ATOM 689 C GLY A 44 -14.171 -7.716 -0.181 1.00 50.13 C ATOM 690 O GLY A 44 -13.054 -7.825 -0.689 1.00 32.15 O ATOM 0 H GLY A 44 -12.619 -5.947 1.730 1.00 42.33 H new ATOM 0 HA2 GLY A 44 -14.268 -7.470 1.960 1.00 74.02 H new ATOM 0 HA3 GLY A 44 -15.377 -6.442 1.074 1.00 74.02 H new ATOM 786 N PRO A 52 -13.449 -1.635 -7.863 1.00 61.43 N ATOM 787 CA PRO A 52 -12.391 -1.112 -7.014 1.00 33.51 C ATOM 788 C PRO A 52 -12.330 0.414 -7.067 1.00 64.14 C ATOM 789 O PRO A 52 -13.009 1.054 -7.879 1.00 13.21 O ATOM 790 CB PRO A 52 -11.102 -1.783 -7.501 1.00 50.22 C ATOM 791 CG PRO A 52 -11.387 -2.068 -8.974 1.00 51.42 C ATOM 792 CD PRO A 52 -12.895 -2.318 -9.021 1.00 44.23 C ATOM 0 HA PRO A 52 -12.563 -1.338 -5.962 1.00 33.51 H new ATOM 0 HB2 PRO A 52 -10.238 -1.130 -7.378 1.00 50.22 H new ATOM 0 HB3 PRO A 52 -10.892 -2.698 -6.948 1.00 50.22 H new ATOM 0 HG2 PRO A 52 -11.103 -1.226 -9.605 1.00 51.42 H new ATOM 0 HG3 PRO A 52 -10.828 -2.934 -9.328 1.00 51.42 H new ATOM 0 HD2 PRO A 52 -13.326 -1.933 -9.945 1.00 44.23 H new ATOM 0 HD3 PRO A 52 -13.115 -3.385 -8.987 1.00 44.23 H new ATOM 800 N PHE A 53 -11.546 1.012 -6.177 1.00 65.51 N ATOM 801 CA PHE A 53 -11.179 2.416 -6.206 1.00 13.22 C ATOM 802 C PHE A 53 -10.011 2.625 -7.185 1.00 21.33 C ATOM 803 O PHE A 53 -9.369 1.662 -7.617 1.00 14.23 O ATOM 804 CB PHE A 53 -10.814 2.882 -4.782 1.00 14.21 C ATOM 805 CG PHE A 53 -10.766 4.391 -4.690 1.00 52.14 C ATOM 806 CD1 PHE A 53 -11.947 5.121 -4.885 1.00 70.31 C ATOM 807 CD2 PHE A 53 -9.545 5.073 -4.573 1.00 63.14 C ATOM 808 CE1 PHE A 53 -11.903 6.511 -5.054 1.00 3.23 C ATOM 809 CE2 PHE A 53 -9.496 6.463 -4.744 1.00 25.41 C ATOM 810 CZ PHE A 53 -10.672 7.184 -4.998 1.00 54.13 C ATOM 0 H PHE A 53 -11.136 0.511 -5.389 1.00 65.51 H new ATOM 0 HA PHE A 53 -12.020 3.015 -6.554 1.00 13.22 H new ATOM 0 HB2 PHE A 53 -11.546 2.496 -4.072 1.00 14.21 H new ATOM 0 HB3 PHE A 53 -9.846 2.468 -4.499 1.00 14.21 H new ATOM 0 HD1 PHE A 53 -12.897 4.608 -4.905 1.00 70.31 H new ATOM 0 HD2 PHE A 53 -8.641 4.525 -4.351 1.00 63.14 H new ATOM 0 HE1 PHE A 53 -12.814 7.064 -5.227 1.00 3.23 H new ATOM 0 HE2 PHE A 53 -8.550 6.980 -4.680 1.00 25.41 H new ATOM 0 HZ PHE A 53 -10.631 8.252 -5.150 1.00 54.13 H new ATOM 820 N ARG A 54 -9.729 3.882 -7.528 1.00 4.40 N ATOM 821 CA ARG A 54 -8.520 4.336 -8.212 1.00 13.21 C ATOM 822 C ARG A 54 -8.275 5.793 -7.826 1.00 14.04 C ATOM 823 O ARG A 54 -9.237 6.558 -7.747 1.00 71.54 O ATOM 824 CB ARG A 54 -8.658 4.155 -9.733 1.00 51.15 C ATOM 825 CG ARG A 54 -9.833 4.947 -10.328 1.00 2.02 C ATOM 826 CD ARG A 54 -10.210 4.458 -11.721 1.00 31.23 C ATOM 827 NE ARG A 54 -11.560 4.942 -12.064 1.00 70.33 N ATOM 828 CZ ARG A 54 -12.450 4.326 -12.846 1.00 44.43 C ATOM 829 NH1 ARG A 54 -12.075 3.275 -13.567 1.00 14.34 N ATOM 830 NH2 ARG A 54 -13.702 4.765 -12.888 1.00 45.15 N ATOM 0 H ARG A 54 -10.370 4.649 -7.326 1.00 4.40 H new ATOM 0 HA ARG A 54 -7.661 3.739 -7.907 1.00 13.21 H new ATOM 0 HB2 ARG A 54 -7.733 4.470 -10.216 1.00 51.15 H new ATOM 0 HB3 ARG A 54 -8.790 3.096 -9.957 1.00 51.15 H new ATOM 0 HG2 ARG A 54 -10.697 4.862 -9.669 1.00 2.02 H new ATOM 0 HG3 ARG A 54 -9.570 6.004 -10.375 1.00 2.02 H new ATOM 0 HD2 ARG A 54 -9.486 4.818 -12.452 1.00 31.23 H new ATOM 0 HD3 ARG A 54 -10.183 3.369 -11.755 1.00 31.23 H new ATOM 0 HE ARG A 54 -11.842 5.837 -11.664 1.00 70.33 H new ATOM 0 HH11 ARG A 54 -11.112 2.943 -13.521 1.00 14.34 H new ATOM 0 HH12 ARG A 54 -12.750 2.800 -14.166 1.00 14.34 H new ATOM 0 HH21 ARG A 54 -13.980 5.569 -12.325 1.00 45.15 H new ATOM 0 HH22 ARG A 54 -14.386 4.299 -13.483 1.00 45.15 H new ATOM 844 N GLY A 55 -7.024 6.188 -7.614 1.00 43.23 N ATOM 845 CA GLY A 55 -6.624 7.569 -7.305 1.00 34.41 C ATOM 846 C GLY A 55 -5.140 7.748 -7.606 1.00 13.42 C ATOM 847 O GLY A 55 -4.655 7.091 -8.523 1.00 45.25 O ATOM 0 H GLY A 55 -6.234 5.544 -7.652 1.00 43.23 H new ATOM 0 HA2 GLY A 55 -7.213 8.270 -7.896 1.00 34.41 H new ATOM 0 HA3 GLY A 55 -6.823 7.790 -6.256 1.00 34.41 H new ATOM 851 N THR A 56 -4.382 8.553 -6.859 1.00 53.24 N ATOM 852 CA THR A 56 -2.936 8.711 -7.085 1.00 25.12 C ATOM 853 C THR A 56 -2.158 8.719 -5.765 1.00 53.41 C ATOM 854 O THR A 56 -2.751 8.821 -4.690 1.00 13.13 O ATOM 855 CB THR A 56 -2.643 9.969 -7.932 1.00 14.33 C ATOM 856 OG1 THR A 56 -3.492 11.056 -7.601 1.00 70.54 O ATOM 857 CG2 THR A 56 -2.827 9.716 -9.430 1.00 24.54 C ATOM 0 H THR A 56 -4.745 9.111 -6.086 1.00 53.24 H new ATOM 0 HA THR A 56 -2.590 7.846 -7.651 1.00 25.12 H new ATOM 0 HB THR A 56 -1.605 10.213 -7.707 1.00 14.33 H new ATOM 0 HG1 THR A 56 -3.268 11.828 -8.161 1.00 70.54 H new ATOM 0 HG21 THR A 56 -2.609 10.630 -9.983 1.00 24.54 H new ATOM 0 HG22 THR A 56 -2.148 8.927 -9.752 1.00 24.54 H new ATOM 0 HG23 THR A 56 -3.855 9.411 -9.624 1.00 24.54 H new ATOM 865 N TYR A 57 -0.835 8.558 -5.830 1.00 21.30 N ATOM 866 CA TYR A 57 0.088 8.652 -4.699 1.00 32.23 C ATOM 867 C TYR A 57 1.003 9.854 -4.893 1.00 5.34 C ATOM 868 O TYR A 57 1.154 10.352 -6.013 1.00 34.20 O ATOM 869 CB TYR A 57 0.918 7.366 -4.480 1.00 43.15 C ATOM 870 CG TYR A 57 1.850 6.916 -5.590 1.00 31.43 C ATOM 871 CD1 TYR A 57 3.185 7.354 -5.602 1.00 52.25 C ATOM 872 CD2 TYR A 57 1.429 5.951 -6.524 1.00 54.35 C ATOM 873 CE1 TYR A 57 4.108 6.804 -6.505 1.00 53.15 C ATOM 874 CE2 TYR A 57 2.347 5.392 -7.433 1.00 54.43 C ATOM 875 CZ TYR A 57 3.700 5.795 -7.401 1.00 31.12 C ATOM 876 OH TYR A 57 4.600 5.195 -8.219 1.00 24.44 O ATOM 0 H TYR A 57 -0.359 8.350 -6.708 1.00 21.30 H new ATOM 0 HA TYR A 57 -0.513 8.779 -3.799 1.00 32.23 H new ATOM 0 HB2 TYR A 57 1.516 7.505 -3.579 1.00 43.15 H new ATOM 0 HB3 TYR A 57 0.223 6.551 -4.278 1.00 43.15 H new ATOM 0 HD1 TYR A 57 3.504 8.120 -4.911 1.00 52.25 H new ATOM 0 HD2 TYR A 57 0.396 5.638 -6.543 1.00 54.35 H new ATOM 0 HE1 TYR A 57 5.130 7.153 -6.513 1.00 53.15 H new ATOM 0 HE2 TYR A 57 2.018 4.657 -8.153 1.00 54.43 H new ATOM 0 HH TYR A 57 4.145 4.523 -8.769 1.00 24.44 H new ATOM 886 N ILE A 58 1.639 10.289 -3.804 1.00 52.35 N ATOM 887 CA ILE A 58 2.630 11.364 -3.776 1.00 31.14 C ATOM 888 C ILE A 58 3.740 10.915 -2.814 1.00 3.01 C ATOM 889 O ILE A 58 3.423 10.393 -1.742 1.00 10.31 O ATOM 890 CB ILE A 58 1.981 12.706 -3.342 1.00 65.21 C ATOM 891 CG1 ILE A 58 0.719 13.046 -4.175 1.00 23.23 C ATOM 892 CG2 ILE A 58 3.010 13.842 -3.465 1.00 42.42 C ATOM 893 CD1 ILE A 58 0.119 14.437 -3.933 1.00 1.42 C ATOM 0 H ILE A 58 1.471 9.886 -2.882 1.00 52.35 H new ATOM 0 HA ILE A 58 3.047 11.546 -4.767 1.00 31.14 H new ATOM 0 HB ILE A 58 1.665 12.598 -2.304 1.00 65.21 H new ATOM 0 HG12 ILE A 58 0.969 12.957 -5.232 1.00 23.23 H new ATOM 0 HG13 ILE A 58 -0.046 12.299 -3.964 1.00 23.23 H new ATOM 0 HG21 ILE A 58 2.552 14.783 -3.160 1.00 42.42 H new ATOM 0 HG22 ILE A 58 3.865 13.630 -2.823 1.00 42.42 H new ATOM 0 HG23 ILE A 58 3.344 13.920 -4.500 1.00 42.42 H new ATOM 0 HD11 ILE A 58 -0.758 14.570 -4.566 1.00 1.42 H new ATOM 0 HD12 ILE A 58 -0.171 14.531 -2.886 1.00 1.42 H new ATOM 0 HD13 ILE A 58 0.859 15.200 -4.174 1.00 1.42 H new ATOM 905 N ILE A 59 5.012 11.085 -3.199 1.00 61.21 N ATOM 906 CA ILE A 59 6.222 10.705 -2.462 1.00 10.11 C ATOM 907 C ILE A 59 7.231 11.858 -2.578 1.00 73.43 C ATOM 908 O ILE A 59 7.635 12.218 -3.690 1.00 50.24 O ATOM 909 CB ILE A 59 6.818 9.383 -3.024 1.00 12.32 C ATOM 910 CG1 ILE A 59 5.852 8.193 -2.826 1.00 73.43 C ATOM 911 CG2 ILE A 59 8.181 9.051 -2.379 1.00 44.25 C ATOM 912 CD1 ILE A 59 6.274 6.908 -3.552 1.00 30.41 C ATOM 0 H ILE A 59 5.237 11.521 -4.093 1.00 61.21 H new ATOM 0 HA ILE A 59 5.982 10.527 -1.414 1.00 10.11 H new ATOM 0 HB ILE A 59 6.966 9.542 -4.092 1.00 12.32 H new ATOM 0 HG12 ILE A 59 5.767 7.983 -1.760 1.00 73.43 H new ATOM 0 HG13 ILE A 59 4.861 8.484 -3.173 1.00 73.43 H new ATOM 0 HG21 ILE A 59 8.565 8.121 -2.798 1.00 44.25 H new ATOM 0 HG22 ILE A 59 8.885 9.858 -2.581 1.00 44.25 H new ATOM 0 HG23 ILE A 59 8.056 8.940 -1.302 1.00 44.25 H new ATOM 0 HD11 ILE A 59 5.541 6.124 -3.360 1.00 30.41 H new ATOM 0 HD12 ILE A 59 6.330 7.097 -4.624 1.00 30.41 H new ATOM 0 HD13 ILE A 59 7.251 6.589 -3.188 1.00 30.41 H new ATOM 924 N SER A 60 7.663 12.422 -1.446 1.00 43.04 N ATOM 925 CA SER A 60 8.678 13.476 -1.408 1.00 25.50 C ATOM 926 C SER A 60 10.084 12.923 -1.673 1.00 70.22 C ATOM 927 O SER A 60 10.379 11.786 -1.293 1.00 34.30 O ATOM 928 CB SER A 60 8.680 14.163 -0.038 1.00 54.21 C ATOM 929 OG SER A 60 7.439 14.088 0.646 1.00 70.22 O ATOM 0 H SER A 60 7.315 12.157 -0.524 1.00 43.04 H new ATOM 0 HA SER A 60 8.425 14.189 -2.192 1.00 25.50 H new ATOM 0 HB2 SER A 60 9.453 13.711 0.583 1.00 54.21 H new ATOM 0 HB3 SER A 60 8.949 15.211 -0.169 1.00 54.21 H new ATOM 0 HG SER A 60 7.484 14.623 1.466 1.00 70.22 H new ATOM 935 N LEU A 61 10.981 13.748 -2.227 1.00 22.33 N ATOM 936 CA LEU A 61 12.350 13.349 -2.564 1.00 3.12 C ATOM 937 C LEU A 61 13.162 13.019 -1.313 1.00 4.12 C ATOM 938 O LEU A 61 13.693 11.915 -1.198 1.00 24.12 O ATOM 939 CB LEU A 61 13.090 14.451 -3.335 1.00 50.23 C ATOM 940 CG LEU A 61 12.794 14.495 -4.840 1.00 54.35 C ATOM 941 CD1 LEU A 61 11.478 15.224 -5.120 1.00 2.00 C ATOM 942 CD2 LEU A 61 13.946 15.235 -5.518 1.00 4.44 C ATOM 0 H LEU A 61 10.773 14.720 -2.455 1.00 22.33 H new ATOM 0 HA LEU A 61 12.259 12.462 -3.191 1.00 3.12 H new ATOM 0 HB2 LEU A 61 12.830 15.416 -2.900 1.00 50.23 H new ATOM 0 HB3 LEU A 61 14.162 14.316 -3.194 1.00 50.23 H new ATOM 0 HG LEU A 61 12.699 13.480 -5.226 1.00 54.35 H new ATOM 0 HD11 LEU A 61 11.293 15.241 -6.194 1.00 2.00 H new ATOM 0 HD12 LEU A 61 10.661 14.705 -4.619 1.00 2.00 H new ATOM 0 HD13 LEU A 61 11.542 16.246 -4.747 1.00 2.00 H new ATOM 0 HD21 LEU A 61 13.765 15.284 -6.592 1.00 4.44 H new ATOM 0 HD22 LEU A 61 14.016 16.246 -5.116 1.00 4.44 H new ATOM 0 HD23 LEU A 61 14.880 14.704 -5.331 1.00 4.44 H new ATOM 954 N ASP A 62 13.318 13.988 -0.409 1.00 62.44 N ATOM 955 CA ASP A 62 14.097 13.812 0.816 1.00 11.42 C ATOM 956 C ASP A 62 13.332 12.880 1.748 1.00 71.44 C ATOM 957 O ASP A 62 13.855 11.867 2.202 1.00 5.03 O ATOM 958 CB ASP A 62 14.328 15.159 1.528 1.00 72.24 C ATOM 959 CG ASP A 62 15.799 15.554 1.591 1.00 34.34 C ATOM 960 OD1 ASP A 62 16.485 15.180 2.573 1.00 25.40 O ATOM 961 OD2 ASP A 62 16.260 16.239 0.650 1.00 3.00 O ATOM 0 H ASP A 62 12.907 14.917 -0.506 1.00 62.44 H new ATOM 0 HA ASP A 62 15.069 13.392 0.557 1.00 11.42 H new ATOM 0 HB2 ASP A 62 13.770 15.938 1.009 1.00 72.24 H new ATOM 0 HB3 ASP A 62 13.929 15.102 2.541 1.00 72.24 H new ATOM 966 N GLU A 63 12.087 13.250 2.045 1.00 44.42 N ATOM 967 CA GLU A 63 11.329 12.768 3.197 1.00 12.44 C ATOM 968 C GLU A 63 10.891 11.307 3.014 1.00 12.01 C ATOM 969 O GLU A 63 10.677 10.605 4.002 1.00 1.00 O ATOM 970 CB GLU A 63 10.094 13.674 3.414 1.00 43.14 C ATOM 971 CG GLU A 63 10.384 15.196 3.360 1.00 30.40 C ATOM 972 CD GLU A 63 9.145 16.091 3.249 1.00 63.43 C ATOM 973 OE1 GLU A 63 8.105 15.657 2.698 1.00 61.54 O ATOM 974 OE2 GLU A 63 9.239 17.275 3.643 1.00 73.32 O ATOM 0 H GLU A 63 11.563 13.913 1.473 1.00 44.42 H new ATOM 0 HA GLU A 63 11.974 12.809 4.074 1.00 12.44 H new ATOM 0 HB2 GLU A 63 9.348 13.434 2.657 1.00 43.14 H new ATOM 0 HB3 GLU A 63 9.653 13.437 4.382 1.00 43.14 H new ATOM 0 HG2 GLU A 63 10.937 15.477 4.257 1.00 30.40 H new ATOM 0 HG3 GLU A 63 11.035 15.396 2.509 1.00 30.40 H new ATOM 981 N LYS A 64 10.726 10.865 1.754 1.00 2.44 N ATOM 982 CA LYS A 64 10.293 9.520 1.361 1.00 4.43 C ATOM 983 C LYS A 64 9.110 9.062 2.226 1.00 25.51 C ATOM 984 O LYS A 64 9.120 7.994 2.853 1.00 12.00 O ATOM 985 CB LYS A 64 11.508 8.587 1.291 1.00 23.53 C ATOM 986 CG LYS A 64 11.212 7.283 0.530 1.00 30.10 C ATOM 987 CD LYS A 64 12.395 6.313 0.586 1.00 25.43 C ATOM 988 CE LYS A 64 13.615 6.762 -0.236 1.00 50.02 C ATOM 989 NZ LYS A 64 14.834 6.895 0.592 1.00 14.43 N ATOM 0 H LYS A 64 10.900 11.466 0.949 1.00 2.44 H new ATOM 0 HA LYS A 64 9.885 9.507 0.350 1.00 4.43 H new ATOM 0 HB2 LYS A 64 12.333 9.107 0.805 1.00 23.53 H new ATOM 0 HB3 LYS A 64 11.835 8.346 2.303 1.00 23.53 H new ATOM 0 HG2 LYS A 64 10.330 6.806 0.956 1.00 30.10 H new ATOM 0 HG3 LYS A 64 10.979 7.513 -0.510 1.00 30.10 H new ATOM 0 HD2 LYS A 64 12.698 6.186 1.625 1.00 25.43 H new ATOM 0 HD3 LYS A 64 12.068 5.337 0.227 1.00 25.43 H new ATOM 0 HE2 LYS A 64 13.797 6.042 -1.034 1.00 50.02 H new ATOM 0 HE3 LYS A 64 13.397 7.717 -0.713 1.00 50.02 H new ATOM 0 HZ1 LYS A 64 15.628 7.199 -0.006 1.00 14.43 H new ATOM 0 HZ2 LYS A 64 14.672 7.601 1.338 1.00 14.43 H new ATOM 0 HZ3 LYS A 64 15.060 5.978 1.027 1.00 14.43 H new ATOM 1003 N LEU A 65 8.120 9.943 2.303 1.00 41.14 N ATOM 1004 CA LEU A 65 6.783 9.714 2.823 1.00 10.41 C ATOM 1005 C LEU A 65 5.940 9.103 1.694 1.00 12.02 C ATOM 1006 O LEU A 65 6.387 9.132 0.548 1.00 3.03 O ATOM 1007 CB LEU A 65 6.270 11.093 3.282 1.00 61.24 C ATOM 1008 CG LEU A 65 5.000 10.990 4.133 1.00 34.22 C ATOM 1009 CD1 LEU A 65 5.054 11.958 5.311 1.00 73.35 C ATOM 1010 CD2 LEU A 65 3.722 11.271 3.343 1.00 5.22 C ATOM 0 H LEU A 65 8.242 10.903 1.980 1.00 41.14 H new ATOM 0 HA LEU A 65 6.742 9.022 3.664 1.00 10.41 H new ATOM 0 HB2 LEU A 65 7.049 11.595 3.856 1.00 61.24 H new ATOM 0 HB3 LEU A 65 6.069 11.712 2.408 1.00 61.24 H new ATOM 0 HG LEU A 65 4.967 9.958 4.483 1.00 34.22 H new ATOM 0 HD11 LEU A 65 4.141 11.866 5.900 1.00 73.35 H new ATOM 0 HD12 LEU A 65 5.915 11.722 5.937 1.00 73.35 H new ATOM 0 HD13 LEU A 65 5.145 12.979 4.939 1.00 73.35 H new ATOM 0 HD21 LEU A 65 2.859 11.182 4.003 1.00 5.22 H new ATOM 0 HD22 LEU A 65 3.762 12.280 2.933 1.00 5.22 H new ATOM 0 HD23 LEU A 65 3.632 10.552 2.529 1.00 5.22 H new ATOM 1022 N ILE A 66 4.730 8.597 1.960 1.00 2.30 N ATOM 1023 CA ILE A 66 3.748 8.373 0.906 1.00 50.01 C ATOM 1024 C ILE A 66 2.367 8.734 1.449 1.00 12.14 C ATOM 1025 O ILE A 66 1.994 8.308 2.544 1.00 72.52 O ATOM 1026 CB ILE A 66 3.848 6.942 0.325 1.00 3.40 C ATOM 1027 CG1 ILE A 66 2.911 6.799 -0.897 1.00 13.14 C ATOM 1028 CG2 ILE A 66 3.596 5.845 1.370 1.00 53.05 C ATOM 1029 CD1 ILE A 66 3.020 5.453 -1.622 1.00 41.12 C ATOM 0 H ILE A 66 4.413 8.337 2.894 1.00 2.30 H new ATOM 0 HA ILE A 66 3.949 9.021 0.053 1.00 50.01 H new ATOM 0 HB ILE A 66 4.877 6.797 -0.003 1.00 3.40 H new ATOM 0 HG12 ILE A 66 1.881 6.939 -0.569 1.00 13.14 H new ATOM 0 HG13 ILE A 66 3.131 7.598 -1.605 1.00 13.14 H new ATOM 0 HG21 ILE A 66 3.681 4.866 0.898 1.00 53.05 H new ATOM 0 HG22 ILE A 66 4.333 5.928 2.169 1.00 53.05 H new ATOM 0 HG23 ILE A 66 2.595 5.962 1.786 1.00 53.05 H new ATOM 0 HD11 ILE A 66 2.330 5.437 -2.465 1.00 41.12 H new ATOM 0 HD12 ILE A 66 4.039 5.316 -1.984 1.00 41.12 H new ATOM 0 HD13 ILE A 66 2.769 4.647 -0.932 1.00 41.12 H new ATOM 1041 N LYS A 67 1.590 9.505 0.691 1.00 71.53 N ATOM 1042 CA LYS A 67 0.155 9.646 0.925 1.00 53.35 C ATOM 1043 C LYS A 67 -0.575 9.158 -0.315 1.00 1.14 C ATOM 1044 O LYS A 67 -0.028 9.194 -1.422 1.00 33.21 O ATOM 1045 CB LYS A 67 -0.217 11.092 1.300 1.00 10.10 C ATOM 1046 CG LYS A 67 -0.069 11.334 2.811 1.00 74.31 C ATOM 1047 CD LYS A 67 -0.448 12.772 3.193 1.00 64.42 C ATOM 1048 CE LYS A 67 -0.389 13.065 4.702 1.00 12.24 C ATOM 1049 NZ LYS A 67 -0.703 14.478 5.001 1.00 53.23 N ATOM 0 H LYS A 67 1.936 10.048 -0.100 1.00 71.53 H new ATOM 0 HA LYS A 67 -0.148 9.039 1.778 1.00 53.35 H new ATOM 0 HB2 LYS A 67 0.421 11.787 0.754 1.00 10.10 H new ATOM 0 HB3 LYS A 67 -1.244 11.296 0.996 1.00 10.10 H new ATOM 0 HG2 LYS A 67 -0.702 10.633 3.356 1.00 74.31 H new ATOM 0 HG3 LYS A 67 0.959 11.136 3.113 1.00 74.31 H new ATOM 0 HD2 LYS A 67 0.220 13.461 2.675 1.00 64.42 H new ATOM 0 HD3 LYS A 67 -1.457 12.976 2.835 1.00 64.42 H new ATOM 0 HE2 LYS A 67 -1.093 12.418 5.225 1.00 12.24 H new ATOM 0 HE3 LYS A 67 0.605 12.826 5.080 1.00 12.24 H new ATOM 0 HZ1 LYS A 67 -0.653 14.635 6.028 1.00 53.23 H new ATOM 0 HZ2 LYS A 67 -0.016 15.095 4.522 1.00 53.23 H new ATOM 0 HZ3 LYS A 67 -1.661 14.700 4.664 1.00 53.23 H new ATOM 1063 N LEU A 68 -1.798 8.694 -0.100 1.00 71.35 N ATOM 1064 CA LEU A 68 -2.717 8.182 -1.103 1.00 2.44 C ATOM 1065 C LEU A 68 -3.815 9.227 -1.175 1.00 31.14 C ATOM 1066 O LEU A 68 -4.296 9.674 -0.134 1.00 45.42 O ATOM 1067 CB LEU A 68 -3.323 6.852 -0.608 1.00 4.31 C ATOM 1068 CG LEU A 68 -2.528 5.565 -0.821 1.00 33.53 C ATOM 1069 CD1 LEU A 68 -2.264 5.296 -2.297 1.00 50.22 C ATOM 1070 CD2 LEU A 68 -1.225 5.607 -0.048 1.00 25.34 C ATOM 0 H LEU A 68 -2.198 8.664 0.838 1.00 71.35 H new ATOM 0 HA LEU A 68 -2.234 8.003 -2.064 1.00 2.44 H new ATOM 0 HB2 LEU A 68 -3.513 6.952 0.461 1.00 4.31 H new ATOM 0 HB3 LEU A 68 -4.291 6.728 -1.093 1.00 4.31 H new ATOM 0 HG LEU A 68 -3.136 4.743 -0.442 1.00 33.53 H new ATOM 0 HD11 LEU A 68 -1.696 4.372 -2.402 1.00 50.22 H new ATOM 0 HD12 LEU A 68 -3.213 5.201 -2.825 1.00 50.22 H new ATOM 0 HD13 LEU A 68 -1.694 6.122 -2.721 1.00 50.22 H new ATOM 0 HD21 LEU A 68 -0.674 4.681 -0.213 1.00 25.34 H new ATOM 0 HD22 LEU A 68 -0.626 6.451 -0.390 1.00 25.34 H new ATOM 0 HD23 LEU A 68 -1.436 5.719 1.015 1.00 25.34 H new ATOM 1082 N TYR A 69 -4.205 9.628 -2.377 1.00 10.11 N ATOM 1083 CA TYR A 69 -5.182 10.674 -2.597 1.00 25.10 C ATOM 1084 C TYR A 69 -6.332 10.119 -3.420 1.00 33.21 C ATOM 1085 O TYR A 69 -6.114 9.315 -4.337 1.00 33.54 O ATOM 1086 CB TYR A 69 -4.526 11.846 -3.325 1.00 70.51 C ATOM 1087 CG TYR A 69 -3.687 12.742 -2.435 1.00 72.41 C ATOM 1088 CD1 TYR A 69 -2.363 12.424 -2.078 1.00 30.34 C ATOM 1089 CD2 TYR A 69 -4.273 13.913 -1.938 1.00 61.54 C ATOM 1090 CE1 TYR A 69 -1.636 13.296 -1.242 1.00 72.21 C ATOM 1091 CE2 TYR A 69 -3.585 14.767 -1.069 1.00 21.10 C ATOM 1092 CZ TYR A 69 -2.238 14.478 -0.743 1.00 42.04 C ATOM 1093 OH TYR A 69 -1.553 15.309 0.089 1.00 5.33 O ATOM 0 H TYR A 69 -3.841 9.225 -3.240 1.00 10.11 H new ATOM 0 HA TYR A 69 -5.565 11.028 -1.640 1.00 25.10 H new ATOM 0 HB2 TYR A 69 -3.896 11.455 -4.125 1.00 70.51 H new ATOM 0 HB3 TYR A 69 -5.304 12.447 -3.796 1.00 70.51 H new ATOM 0 HD1 TYR A 69 -1.906 11.516 -2.443 1.00 30.34 H new ATOM 0 HD2 TYR A 69 -5.281 14.163 -2.233 1.00 61.54 H new ATOM 0 HE1 TYR A 69 -0.615 13.062 -0.980 1.00 72.21 H new ATOM 0 HE2 TYR A 69 -4.075 15.635 -0.653 1.00 21.10 H new ATOM 0 HH TYR A 69 -2.121 16.070 0.331 1.00 5.33 H new ATOM 1103 N ASP A 70 -7.542 10.601 -3.115 1.00 3.34 N ATOM 1104 CA ASP A 70 -8.754 10.140 -3.802 1.00 4.40 C ATOM 1105 C ASP A 70 -9.201 11.228 -4.785 1.00 25.54 C ATOM 1106 O ASP A 70 -8.459 12.186 -5.030 1.00 23.11 O ATOM 1107 CB ASP A 70 -9.839 9.715 -2.787 1.00 41.44 C ATOM 1108 CG ASP A 70 -9.638 8.304 -2.211 1.00 32.11 C ATOM 1109 OD1 ASP A 70 -8.501 7.768 -2.233 1.00 13.41 O ATOM 1110 OD2 ASP A 70 -10.651 7.721 -1.750 1.00 2.43 O ATOM 0 H ASP A 70 -7.708 11.308 -2.399 1.00 3.34 H new ATOM 0 HA ASP A 70 -8.552 9.240 -4.383 1.00 4.40 H new ATOM 0 HB2 ASP A 70 -9.855 10.432 -1.966 1.00 41.44 H new ATOM 0 HB3 ASP A 70 -10.814 9.763 -3.272 1.00 41.44 H new ATOM 1115 N LYS A 71 -10.387 11.085 -5.389 1.00 44.12 N ATOM 1116 CA LYS A 71 -10.865 12.041 -6.387 1.00 53.05 C ATOM 1117 C LYS A 71 -11.059 13.434 -5.783 1.00 64.25 C ATOM 1118 O LYS A 71 -10.616 14.401 -6.392 1.00 45.03 O ATOM 1119 CB LYS A 71 -12.092 11.541 -7.178 1.00 2.13 C ATOM 1120 CG LYS A 71 -13.375 11.184 -6.401 1.00 54.42 C ATOM 1121 CD LYS A 71 -13.457 9.698 -6.018 1.00 14.40 C ATOM 1122 CE LYS A 71 -14.705 9.350 -5.193 1.00 74.41 C ATOM 1123 NZ LYS A 71 -15.985 9.575 -5.894 1.00 23.54 N ATOM 0 H LYS A 71 -11.031 10.316 -5.202 1.00 44.12 H new ATOM 0 HA LYS A 71 -10.077 12.131 -7.135 1.00 53.05 H new ATOM 0 HB2 LYS A 71 -12.350 12.308 -7.909 1.00 2.13 H new ATOM 0 HB3 LYS A 71 -11.787 10.657 -7.738 1.00 2.13 H new ATOM 0 HG2 LYS A 71 -13.424 11.789 -5.496 1.00 54.42 H new ATOM 0 HG3 LYS A 71 -14.243 11.445 -7.006 1.00 54.42 H new ATOM 0 HD2 LYS A 71 -13.451 9.095 -6.926 1.00 14.40 H new ATOM 0 HD3 LYS A 71 -12.567 9.427 -5.450 1.00 14.40 H new ATOM 0 HE2 LYS A 71 -14.648 8.303 -4.895 1.00 74.41 H new ATOM 0 HE3 LYS A 71 -14.697 9.943 -4.278 1.00 74.41 H new ATOM 0 HZ1 LYS A 71 -16.774 9.316 -5.268 1.00 23.54 H new ATOM 0 HZ2 LYS A 71 -16.066 10.578 -6.156 1.00 23.54 H new ATOM 0 HZ3 LYS A 71 -16.018 8.990 -6.753 1.00 23.54 H new ATOM 1137 N GLU A 72 -11.617 13.529 -4.573 1.00 25.30 N ATOM 1138 CA GLU A 72 -11.693 14.764 -3.790 1.00 14.21 C ATOM 1139 C GLU A 72 -10.384 15.033 -3.024 1.00 14.31 C ATOM 1140 O GLU A 72 -10.393 15.746 -2.025 1.00 14.23 O ATOM 1141 CB GLU A 72 -12.909 14.703 -2.845 1.00 71.41 C ATOM 1142 CG GLU A 72 -14.254 14.870 -3.565 1.00 53.44 C ATOM 1143 CD GLU A 72 -14.481 16.309 -4.028 1.00 65.14 C ATOM 1144 OE1 GLU A 72 -13.933 16.707 -5.081 1.00 64.51 O ATOM 1145 OE2 GLU A 72 -15.199 17.058 -3.332 1.00 72.35 O ATOM 0 H GLU A 72 -12.038 12.730 -4.100 1.00 25.30 H new ATOM 0 HA GLU A 72 -11.827 15.603 -4.472 1.00 14.21 H new ATOM 0 HB2 GLU A 72 -12.903 13.748 -2.320 1.00 71.41 H new ATOM 0 HB3 GLU A 72 -12.811 15.483 -2.089 1.00 71.41 H new ATOM 0 HG2 GLU A 72 -14.290 14.202 -4.426 1.00 53.44 H new ATOM 0 HG3 GLU A 72 -15.062 14.572 -2.897 1.00 53.44 H new ATOM 1152 N GLU A 73 -9.268 14.428 -3.448 1.00 22.11 N ATOM 1153 CA GLU A 73 -7.882 14.729 -3.084 1.00 74.11 C ATOM 1154 C GLU A 73 -7.628 14.962 -1.591 1.00 45.02 C ATOM 1155 O GLU A 73 -6.760 15.735 -1.206 1.00 74.53 O ATOM 1156 CB GLU A 73 -7.255 15.774 -4.009 1.00 65.24 C ATOM 1157 CG GLU A 73 -7.910 17.145 -3.882 1.00 22.54 C ATOM 1158 CD GLU A 73 -8.866 17.406 -5.041 1.00 42.04 C ATOM 1159 OE1 GLU A 73 -8.361 17.547 -6.176 1.00 61.31 O ATOM 1160 OE2 GLU A 73 -10.098 17.472 -4.860 1.00 42.02 O ATOM 0 H GLU A 73 -9.317 13.652 -4.108 1.00 22.11 H new ATOM 0 HA GLU A 73 -7.336 13.803 -3.262 1.00 74.11 H new ATOM 0 HB2 GLU A 73 -6.192 15.862 -3.783 1.00 65.24 H new ATOM 0 HB3 GLU A 73 -7.334 15.433 -5.041 1.00 65.24 H new ATOM 0 HG2 GLU A 73 -8.452 17.206 -2.938 1.00 22.54 H new ATOM 0 HG3 GLU A 73 -7.142 17.918 -3.859 1.00 22.54 H new ATOM 1167 N HIS A 74 -8.347 14.251 -0.714 1.00 33.20 N ATOM 1168 CA HIS A 74 -8.354 14.585 0.702 1.00 64.24 C ATOM 1169 C HIS A 74 -7.348 13.800 1.544 1.00 30.42 C ATOM 1170 O HIS A 74 -7.479 13.774 2.769 1.00 34.40 O ATOM 1171 CB HIS A 74 -9.798 14.487 1.229 1.00 24.44 C ATOM 1172 CG HIS A 74 -10.451 13.168 0.895 1.00 34.54 C ATOM 1173 ND1 HIS A 74 -11.500 12.987 0.018 1.00 30.13 N ATOM 1174 CD2 HIS A 74 -10.078 11.933 1.354 1.00 42.15 C ATOM 1175 CE1 HIS A 74 -11.750 11.672 -0.062 1.00 43.05 C ATOM 1176 NE2 HIS A 74 -10.905 10.993 0.731 1.00 13.23 N ATOM 0 H HIS A 74 -8.925 13.448 -0.964 1.00 33.20 H new ATOM 0 HA HIS A 74 -8.004 15.612 0.804 1.00 64.24 H new ATOM 0 HB2 HIS A 74 -9.796 14.623 2.310 1.00 24.44 H new ATOM 0 HB3 HIS A 74 -10.391 15.299 0.807 1.00 24.44 H new ATOM 0 HD1 HIS A 74 -11.998 13.724 -0.482 1.00 30.13 H new ATOM 0 HD2 HIS A 74 -9.292 11.724 2.064 1.00 42.15 H new ATOM 0 HE1 HIS A 74 -12.519 11.224 -0.675 1.00 43.05 H new ATOM 1184 N CYS A 75 -6.367 13.174 0.889 1.00 25.41 N ATOM 1185 CA CYS A 75 -5.332 12.303 1.442 1.00 4.10 C ATOM 1186 C CYS A 75 -5.902 11.312 2.459 1.00 41.24 C ATOM 1187 O CYS A 75 -5.840 11.561 3.666 1.00 74.15 O ATOM 1188 CB CYS A 75 -4.097 13.055 1.952 1.00 31.23 C ATOM 1189 SG CYS A 75 -4.468 14.393 3.118 1.00 5.44 S ATOM 0 H CYS A 75 -6.270 13.272 -0.122 1.00 25.41 H new ATOM 0 HA CYS A 75 -4.960 11.710 0.606 1.00 4.10 H new ATOM 0 HB2 CYS A 75 -3.426 12.344 2.434 1.00 31.23 H new ATOM 0 HB3 CYS A 75 -3.561 13.470 1.099 1.00 31.23 H new ATOM 0 HG CYS A 75 -5.728 14.354 3.437 1.00 5.44 H new ATOM 1195 N THR A 76 -6.487 10.223 1.971 1.00 73.13 N ATOM 1196 CA THR A 76 -7.229 9.242 2.753 1.00 4.44 C ATOM 1197 C THR A 76 -6.406 8.774 3.951 1.00 52.22 C ATOM 1198 O THR A 76 -6.788 8.950 5.111 1.00 5.20 O ATOM 1199 CB THR A 76 -7.596 8.078 1.815 1.00 22.50 C ATOM 1200 OG1 THR A 76 -6.489 7.682 1.021 1.00 54.04 O ATOM 1201 CG2 THR A 76 -8.669 8.514 0.831 1.00 30.34 C ATOM 0 H THR A 76 -6.455 9.991 0.978 1.00 73.13 H new ATOM 0 HA THR A 76 -8.140 9.681 3.160 1.00 4.44 H new ATOM 0 HB THR A 76 -7.930 7.261 2.454 1.00 22.50 H new ATOM 0 HG1 THR A 76 -6.754 6.940 0.437 1.00 54.04 H new ATOM 0 HG21 THR A 76 -8.919 7.682 0.173 1.00 30.34 H new ATOM 0 HG22 THR A 76 -9.559 8.825 1.378 1.00 30.34 H new ATOM 0 HG23 THR A 76 -8.299 9.348 0.235 1.00 30.34 H new ATOM 1209 N GLU A 77 -5.235 8.226 3.662 1.00 44.04 N ATOM 1210 CA GLU A 77 -4.304 7.672 4.620 1.00 52.55 C ATOM 1211 C GLU A 77 -2.909 8.133 4.241 1.00 62.53 C ATOM 1212 O GLU A 77 -2.618 8.497 3.093 1.00 1.12 O ATOM 1213 CB GLU A 77 -4.401 6.147 4.586 1.00 1.52 C ATOM 1214 CG GLU A 77 -5.618 5.625 5.383 1.00 25.22 C ATOM 1215 CD GLU A 77 -6.264 4.361 4.799 1.00 41.55 C ATOM 1216 OE1 GLU A 77 -6.623 4.359 3.602 1.00 41.15 O ATOM 1217 OE2 GLU A 77 -6.459 3.375 5.550 1.00 14.42 O ATOM 0 H GLU A 77 -4.896 8.155 2.703 1.00 44.04 H new ATOM 0 HA GLU A 77 -4.534 8.008 5.631 1.00 52.55 H new ATOM 0 HB2 GLU A 77 -4.475 5.812 3.551 1.00 1.52 H new ATOM 0 HB3 GLU A 77 -3.488 5.717 4.996 1.00 1.52 H new ATOM 0 HG2 GLU A 77 -5.305 5.419 6.407 1.00 25.22 H new ATOM 0 HG3 GLU A 77 -6.370 6.413 5.432 1.00 25.22 H new ATOM 1224 N GLN A 78 -2.030 8.069 5.230 1.00 33.54 N ATOM 1225 CA GLN A 78 -0.647 8.433 5.109 1.00 1.41 C ATOM 1226 C GLN A 78 0.187 7.282 5.618 1.00 30.23 C ATOM 1227 O GLN A 78 -0.241 6.593 6.543 1.00 53.24 O ATOM 1228 CB GLN A 78 -0.380 9.744 5.822 1.00 12.23 C ATOM 1229 CG GLN A 78 -0.668 9.777 7.309 1.00 1.11 C ATOM 1230 CD GLN A 78 -2.088 10.258 7.585 1.00 74.04 C ATOM 1231 OE1 GLN A 78 -2.397 11.441 7.460 1.00 61.14 O ATOM 1232 NE2 GLN A 78 -2.990 9.351 7.908 1.00 25.43 N ATOM 0 H GLN A 78 -2.280 7.750 6.166 1.00 33.54 H new ATOM 0 HA GLN A 78 -0.373 8.609 4.069 1.00 1.41 H new ATOM 0 HB2 GLN A 78 0.667 10.007 5.672 1.00 12.23 H new ATOM 0 HB3 GLN A 78 -0.976 10.521 5.342 1.00 12.23 H new ATOM 0 HG2 GLN A 78 -0.530 8.782 7.731 1.00 1.11 H new ATOM 0 HG3 GLN A 78 0.045 10.435 7.806 1.00 1.11 H new ATOM 0 HE21 GLN A 78 -2.717 8.373 8.008 1.00 25.43 H new ATOM 0 HE22 GLN A 78 -3.960 9.628 8.058 1.00 25.43 H new ATOM 1241 N TYR A 79 1.362 7.068 5.038 1.00 4.11 N ATOM 1242 CA TYR A 79 2.266 6.046 5.510 1.00 53.11 C ATOM 1243 C TYR A 79 3.674 6.612 5.424 1.00 24.23 C ATOM 1244 O TYR A 79 3.964 7.474 4.583 1.00 34.54 O ATOM 1245 CB TYR A 79 2.096 4.776 4.664 1.00 72.13 C ATOM 1246 CG TYR A 79 0.653 4.378 4.378 1.00 3.00 C ATOM 1247 CD1 TYR A 79 -0.123 4.998 3.371 1.00 70.22 C ATOM 1248 CD2 TYR A 79 0.093 3.342 5.132 1.00 4.40 C ATOM 1249 CE1 TYR A 79 -1.452 4.580 3.147 1.00 44.15 C ATOM 1250 CE2 TYR A 79 -1.173 2.834 4.811 1.00 73.53 C ATOM 1251 CZ TYR A 79 -1.962 3.468 3.839 1.00 13.12 C ATOM 1252 OH TYR A 79 -3.214 2.994 3.616 1.00 34.40 O ATOM 0 H TYR A 79 1.705 7.596 4.236 1.00 4.11 H new ATOM 0 HA TYR A 79 2.057 5.766 6.542 1.00 53.11 H new ATOM 0 HB2 TYR A 79 2.612 4.919 3.715 1.00 72.13 H new ATOM 0 HB3 TYR A 79 2.590 3.949 5.174 1.00 72.13 H new ATOM 0 HD1 TYR A 79 0.302 5.791 2.774 1.00 70.22 H new ATOM 0 HD2 TYR A 79 0.640 2.931 5.967 1.00 4.40 H new ATOM 0 HE1 TYR A 79 -2.076 5.113 2.445 1.00 44.15 H new ATOM 0 HE2 TYR A 79 -1.542 1.952 5.313 1.00 73.53 H new ATOM 0 HH TYR A 79 -3.378 2.219 4.193 1.00 34.40 H new ATOM 1262 N HIS A 80 4.570 6.170 6.297 1.00 25.51 N ATOM 1263 CA HIS A 80 5.995 6.281 6.013 1.00 51.21 C ATOM 1264 C HIS A 80 6.448 4.991 5.341 1.00 33.31 C ATOM 1265 O HIS A 80 6.228 3.896 5.869 1.00 11.23 O ATOM 1266 CB HIS A 80 6.812 6.591 7.274 1.00 25.12 C ATOM 1267 CG HIS A 80 7.052 8.072 7.423 1.00 54.13 C ATOM 1268 ND1 HIS A 80 7.784 8.862 6.559 1.00 61.52 N ATOM 1269 CD2 HIS A 80 6.546 8.885 8.402 1.00 64.25 C ATOM 1270 CE1 HIS A 80 7.704 10.125 6.998 1.00 61.33 C ATOM 1271 NE2 HIS A 80 6.969 10.190 8.121 1.00 74.51 N ATOM 0 H HIS A 80 4.342 5.739 7.193 1.00 25.51 H new ATOM 0 HA HIS A 80 6.168 7.122 5.341 1.00 51.21 H new ATOM 0 HB2 HIS A 80 6.286 6.216 8.152 1.00 25.12 H new ATOM 0 HB3 HIS A 80 7.768 6.069 7.228 1.00 25.12 H new ATOM 0 HD2 HIS A 80 5.934 8.577 9.237 1.00 64.25 H new ATOM 0 HE1 HIS A 80 8.166 10.974 6.516 1.00 61.33 H new ATOM 0 HE2 HIS A 80 6.760 11.028 8.664 1.00 74.51 H new ATOM 1279 N ILE A 81 7.087 5.129 4.177 1.00 73.23 N ATOM 1280 CA ILE A 81 7.910 4.072 3.614 1.00 23.34 C ATOM 1281 C ILE A 81 9.094 3.952 4.566 1.00 45.23 C ATOM 1282 O ILE A 81 9.755 4.951 4.862 1.00 64.55 O ATOM 1283 CB ILE A 81 8.384 4.403 2.180 1.00 1.11 C ATOM 1284 CG1 ILE A 81 7.186 4.807 1.292 1.00 24.14 C ATOM 1285 CG2 ILE A 81 9.169 3.210 1.591 1.00 24.30 C ATOM 1286 CD1 ILE A 81 7.532 5.062 -0.180 1.00 42.44 C ATOM 0 H ILE A 81 7.045 5.973 3.606 1.00 73.23 H new ATOM 0 HA ILE A 81 7.352 3.140 3.523 1.00 23.34 H new ATOM 0 HB ILE A 81 9.060 5.257 2.214 1.00 1.11 H new ATOM 0 HG12 ILE A 81 6.433 4.020 1.342 1.00 24.14 H new ATOM 0 HG13 ILE A 81 6.733 5.708 1.705 1.00 24.14 H new ATOM 0 HG21 ILE A 81 9.498 3.454 0.581 1.00 24.30 H new ATOM 0 HG22 ILE A 81 10.038 3.002 2.215 1.00 24.30 H new ATOM 0 HG23 ILE A 81 8.526 2.331 1.560 1.00 24.30 H new ATOM 0 HD11 ILE A 81 6.629 5.339 -0.723 1.00 42.44 H new ATOM 0 HD12 ILE A 81 8.259 5.871 -0.248 1.00 42.44 H new ATOM 0 HD13 ILE A 81 7.954 4.157 -0.617 1.00 42.44 H new ATOM 1298 N LEU A 82 9.375 2.745 5.037 1.00 1.33 N ATOM 1299 CA LEU A 82 10.558 2.425 5.822 1.00 51.11 C ATOM 1300 C LEU A 82 11.485 1.511 5.025 1.00 13.24 C ATOM 1301 O LEU A 82 12.642 1.871 4.817 1.00 23.52 O ATOM 1302 CB LEU A 82 10.167 1.782 7.155 1.00 10.01 C ATOM 1303 CG LEU A 82 9.325 2.669 8.084 1.00 61.34 C ATOM 1304 CD1 LEU A 82 9.238 1.942 9.422 1.00 74.13 C ATOM 1305 CD2 LEU A 82 9.925 4.058 8.332 1.00 62.52 C ATOM 0 H LEU A 82 8.769 1.940 4.879 1.00 1.33 H new ATOM 0 HA LEU A 82 11.091 3.350 6.043 1.00 51.11 H new ATOM 0 HB2 LEU A 82 9.611 0.867 6.950 1.00 10.01 H new ATOM 0 HB3 LEU A 82 11.076 1.492 7.681 1.00 10.01 H new ATOM 0 HG LEU A 82 8.358 2.831 7.608 1.00 61.34 H new ATOM 0 HD11 LEU A 82 8.647 2.535 10.120 1.00 74.13 H new ATOM 0 HD12 LEU A 82 8.764 0.971 9.278 1.00 74.13 H new ATOM 0 HD13 LEU A 82 10.241 1.800 9.825 1.00 74.13 H new ATOM 0 HD21 LEU A 82 9.272 4.623 8.997 1.00 62.52 H new ATOM 0 HD22 LEU A 82 10.908 3.953 8.791 1.00 62.52 H new ATOM 0 HD23 LEU A 82 10.022 4.587 7.384 1.00 62.52 H new ATOM 1317 N LYS A 83 10.996 0.351 4.578 1.00 53.25 N ATOM 1318 CA LYS A 83 11.718 -0.634 3.769 1.00 30.33 C ATOM 1319 C LYS A 83 10.713 -1.404 2.912 1.00 64.13 C ATOM 1320 O LYS A 83 9.561 -1.612 3.323 1.00 45.41 O ATOM 1321 CB LYS A 83 12.493 -1.596 4.690 1.00 72.52 C ATOM 1322 CG LYS A 83 14.011 -1.338 4.726 1.00 42.00 C ATOM 1323 CD LYS A 83 14.798 -1.949 3.553 1.00 31.24 C ATOM 1324 CE LYS A 83 14.706 -3.480 3.460 1.00 22.53 C ATOM 1325 NZ LYS A 83 15.130 -4.162 4.703 1.00 2.04 N ATOM 0 H LYS A 83 10.040 0.060 4.780 1.00 53.25 H new ATOM 0 HA LYS A 83 12.433 -0.131 3.118 1.00 30.33 H new ATOM 0 HB2 LYS A 83 12.096 -1.513 5.702 1.00 72.52 H new ATOM 0 HB3 LYS A 83 12.316 -2.620 4.361 1.00 72.52 H new ATOM 0 HG2 LYS A 83 14.182 -0.262 4.738 1.00 42.00 H new ATOM 0 HG3 LYS A 83 14.411 -1.735 5.659 1.00 42.00 H new ATOM 0 HD2 LYS A 83 14.432 -1.517 2.621 1.00 31.24 H new ATOM 0 HD3 LYS A 83 15.846 -1.665 3.646 1.00 31.24 H new ATOM 0 HE2 LYS A 83 13.679 -3.763 3.229 1.00 22.53 H new ATOM 0 HE3 LYS A 83 15.326 -3.826 2.633 1.00 22.53 H new ATOM 0 HZ1 LYS A 83 15.095 -5.192 4.563 1.00 2.04 H new ATOM 0 HZ2 LYS A 83 16.102 -3.878 4.941 1.00 2.04 H new ATOM 0 HZ3 LYS A 83 14.492 -3.896 5.480 1.00 2.04 H new ATOM 1339 N LEU A 84 11.143 -1.794 1.715 1.00 73.22 N ATOM 1340 CA LEU A 84 10.350 -2.441 0.683 1.00 44.30 C ATOM 1341 C LEU A 84 11.307 -3.454 0.052 1.00 32.35 C ATOM 1342 O LEU A 84 12.497 -3.146 -0.014 1.00 11.22 O ATOM 1343 CB LEU A 84 9.935 -1.335 -0.310 1.00 22.24 C ATOM 1344 CG LEU A 84 8.661 -1.596 -1.126 1.00 50.24 C ATOM 1345 CD1 LEU A 84 8.173 -0.287 -1.758 1.00 54.23 C ATOM 1346 CD2 LEU A 84 8.909 -2.599 -2.246 1.00 31.34 C ATOM 0 H LEU A 84 12.112 -1.657 1.426 1.00 73.22 H new ATOM 0 HA LEU A 84 9.446 -2.942 1.030 1.00 44.30 H new ATOM 0 HB2 LEU A 84 9.800 -0.408 0.247 1.00 22.24 H new ATOM 0 HB3 LEU A 84 10.759 -1.172 -1.005 1.00 22.24 H new ATOM 0 HG LEU A 84 7.914 -2.001 -0.444 1.00 50.24 H new ATOM 0 HD11 LEU A 84 7.269 -0.477 -2.336 1.00 54.23 H new ATOM 0 HD12 LEU A 84 7.956 0.437 -0.973 1.00 54.23 H new ATOM 0 HD13 LEU A 84 8.947 0.110 -2.415 1.00 54.23 H new ATOM 0 HD21 LEU A 84 7.985 -2.759 -2.802 1.00 31.34 H new ATOM 0 HD22 LEU A 84 9.675 -2.212 -2.918 1.00 31.34 H new ATOM 0 HD23 LEU A 84 9.244 -3.545 -1.820 1.00 31.34 H new ATOM 1358 N THR A 85 10.838 -4.627 -0.370 1.00 14.42 N ATOM 1359 CA THR A 85 11.611 -5.582 -1.171 1.00 5.01 C ATOM 1360 C THR A 85 10.711 -6.275 -2.199 1.00 31.11 C ATOM 1361 O THR A 85 9.504 -6.036 -2.236 1.00 13.33 O ATOM 1362 CB THR A 85 12.340 -6.619 -0.290 1.00 33.52 C ATOM 1363 OG1 THR A 85 11.489 -7.663 0.149 1.00 3.33 O ATOM 1364 CG2 THR A 85 13.025 -6.057 0.961 1.00 72.10 C ATOM 0 H THR A 85 9.893 -4.949 -0.162 1.00 14.42 H new ATOM 0 HA THR A 85 12.377 -5.018 -1.703 1.00 5.01 H new ATOM 0 HB THR A 85 13.107 -6.988 -0.970 1.00 33.52 H new ATOM 0 HG1 THR A 85 12.000 -8.292 0.700 1.00 3.33 H new ATOM 0 HG21 THR A 85 13.506 -6.868 1.508 1.00 72.10 H new ATOM 0 HG22 THR A 85 13.775 -5.323 0.666 1.00 72.10 H new ATOM 0 HG23 THR A 85 12.282 -5.580 1.600 1.00 72.10 H new ATOM 1372 N SER A 86 11.245 -7.226 -2.965 1.00 43.13 N ATOM 1373 CA SER A 86 10.483 -8.161 -3.788 1.00 14.41 C ATOM 1374 C SER A 86 9.373 -8.939 -3.058 1.00 71.22 C ATOM 1375 O SER A 86 8.596 -9.620 -3.735 1.00 44.13 O ATOM 1376 CB SER A 86 11.482 -9.146 -4.398 1.00 50.41 C ATOM 1377 OG SER A 86 12.305 -8.508 -5.352 1.00 32.41 O ATOM 0 H SER A 86 12.253 -7.370 -3.031 1.00 43.13 H new ATOM 0 HA SER A 86 9.954 -7.567 -4.533 1.00 14.41 H new ATOM 0 HB2 SER A 86 12.100 -9.577 -3.610 1.00 50.41 H new ATOM 0 HB3 SER A 86 10.945 -9.969 -4.869 1.00 50.41 H new ATOM 0 HG SER A 86 12.936 -9.158 -5.726 1.00 32.41 H new ATOM 1383 N LYS A 87 9.249 -8.867 -1.725 1.00 21.23 N ATOM 1384 CA LYS A 87 8.359 -9.735 -0.940 1.00 24.23 C ATOM 1385 C LYS A 87 7.932 -9.174 0.429 1.00 52.00 C ATOM 1386 O LYS A 87 7.066 -9.789 1.057 1.00 2.25 O ATOM 1387 CB LYS A 87 9.079 -11.092 -0.761 1.00 22.44 C ATOM 1388 CG LYS A 87 10.507 -10.938 -0.203 1.00 73.42 C ATOM 1389 CD LYS A 87 11.128 -12.268 0.236 1.00 53.44 C ATOM 1390 CE LYS A 87 12.464 -12.016 0.946 1.00 22.41 C ATOM 1391 NZ LYS A 87 13.533 -11.580 0.028 1.00 0.41 N ATOM 0 H LYS A 87 9.768 -8.198 -1.156 1.00 21.23 H new ATOM 0 HA LYS A 87 7.425 -9.826 -1.494 1.00 24.23 H new ATOM 0 HB2 LYS A 87 8.497 -11.722 -0.089 1.00 22.44 H new ATOM 0 HB3 LYS A 87 9.122 -11.605 -1.722 1.00 22.44 H new ATOM 0 HG2 LYS A 87 11.141 -10.482 -0.964 1.00 73.42 H new ATOM 0 HG3 LYS A 87 10.487 -10.255 0.647 1.00 73.42 H new ATOM 0 HD2 LYS A 87 10.446 -12.794 0.904 1.00 53.44 H new ATOM 0 HD3 LYS A 87 11.283 -12.910 -0.631 1.00 53.44 H new ATOM 0 HE2 LYS A 87 12.322 -11.257 1.716 1.00 22.41 H new ATOM 0 HE3 LYS A 87 12.778 -12.929 1.452 1.00 22.41 H new ATOM 0 HZ1 LYS A 87 14.410 -11.426 0.565 1.00 0.41 H new ATOM 0 HZ2 LYS A 87 13.692 -12.313 -0.692 1.00 0.41 H new ATOM 0 HZ3 LYS A 87 13.251 -10.693 -0.437 1.00 0.41 H new ATOM 1405 N GLU A 88 8.489 -8.050 0.893 1.00 4.43 N ATOM 1406 CA GLU A 88 8.392 -7.594 2.283 1.00 33.22 C ATOM 1407 C GLU A 88 8.258 -6.067 2.277 1.00 43.10 C ATOM 1408 O GLU A 88 9.143 -5.397 1.742 1.00 24.31 O ATOM 1409 CB GLU A 88 9.691 -8.051 2.984 1.00 22.44 C ATOM 1410 CG GLU A 88 9.863 -7.651 4.452 1.00 44.03 C ATOM 1411 CD GLU A 88 11.226 -8.115 4.987 1.00 21.52 C ATOM 1412 OE1 GLU A 88 11.547 -9.324 4.964 1.00 32.24 O ATOM 1413 OE2 GLU A 88 12.021 -7.262 5.448 1.00 51.42 O ATOM 0 H GLU A 88 9.030 -7.420 0.301 1.00 4.43 H new ATOM 0 HA GLU A 88 7.529 -8.004 2.808 1.00 33.22 H new ATOM 0 HB2 GLU A 88 9.747 -9.138 2.920 1.00 22.44 H new ATOM 0 HB3 GLU A 88 10.537 -7.654 2.423 1.00 22.44 H new ATOM 0 HG2 GLU A 88 9.777 -6.569 4.551 1.00 44.03 H new ATOM 0 HG3 GLU A 88 9.064 -8.090 5.049 1.00 44.03 H new ATOM 1420 N MET A 89 7.184 -5.489 2.830 1.00 41.33 N ATOM 1421 CA MET A 89 6.976 -4.040 2.827 1.00 43.13 C ATOM 1422 C MET A 89 6.357 -3.547 4.128 1.00 42.30 C ATOM 1423 O MET A 89 5.359 -4.086 4.609 1.00 71.40 O ATOM 1424 CB MET A 89 6.102 -3.649 1.635 1.00 62.33 C ATOM 1425 CG MET A 89 5.677 -2.182 1.617 1.00 5.43 C ATOM 1426 SD MET A 89 4.630 -1.762 0.200 1.00 22.12 S ATOM 1427 CE MET A 89 3.036 -1.741 1.058 1.00 62.25 C ATOM 0 H MET A 89 6.439 -6.012 3.290 1.00 41.33 H new ATOM 0 HA MET A 89 7.951 -3.561 2.737 1.00 43.13 H new ATOM 0 HB2 MET A 89 6.644 -3.869 0.715 1.00 62.33 H new ATOM 0 HB3 MET A 89 5.208 -4.273 1.635 1.00 62.33 H new ATOM 0 HG2 MET A 89 5.140 -1.954 2.538 1.00 5.43 H new ATOM 0 HG3 MET A 89 6.567 -1.552 1.603 1.00 5.43 H new ATOM 0 HE1 MET A 89 2.313 -2.334 0.498 1.00 62.25 H new ATOM 0 HE2 MET A 89 3.155 -2.162 2.056 1.00 62.25 H new ATOM 0 HE3 MET A 89 2.679 -0.714 1.137 1.00 62.25 H new ATOM 1437 N LYS A 90 6.926 -2.455 4.648 1.00 70.24 N ATOM 1438 CA LYS A 90 6.588 -1.905 5.959 1.00 3.32 C ATOM 1439 C LYS A 90 6.067 -0.488 5.827 1.00 64.31 C ATOM 1440 O LYS A 90 6.843 0.414 5.511 1.00 24.32 O ATOM 1441 CB LYS A 90 7.825 -1.981 6.863 1.00 43.31 C ATOM 1442 CG LYS A 90 8.251 -3.429 7.148 1.00 73.13 C ATOM 1443 CD LYS A 90 8.463 -3.732 8.635 1.00 1.42 C ATOM 1444 CE LYS A 90 7.129 -3.871 9.382 1.00 2.03 C ATOM 1445 NZ LYS A 90 7.322 -4.011 10.840 1.00 31.22 N ATOM 0 H LYS A 90 7.646 -1.922 4.160 1.00 70.24 H new ATOM 0 HA LYS A 90 5.789 -2.491 6.414 1.00 3.32 H new ATOM 0 HB2 LYS A 90 8.650 -1.448 6.391 1.00 43.31 H new ATOM 0 HB3 LYS A 90 7.615 -1.474 7.805 1.00 43.31 H new ATOM 0 HG2 LYS A 90 7.492 -4.105 6.754 1.00 73.13 H new ATOM 0 HG3 LYS A 90 9.175 -3.638 6.609 1.00 73.13 H new ATOM 0 HD2 LYS A 90 9.037 -4.653 8.741 1.00 1.42 H new ATOM 0 HD3 LYS A 90 9.053 -2.935 9.088 1.00 1.42 H new ATOM 0 HE2 LYS A 90 6.508 -2.998 9.181 1.00 2.03 H new ATOM 0 HE3 LYS A 90 6.590 -4.739 9.003 1.00 2.03 H new ATOM 0 HZ1 LYS A 90 6.396 -4.102 11.306 1.00 31.22 H new ATOM 0 HZ2 LYS A 90 7.892 -4.858 11.035 1.00 31.22 H new ATOM 0 HZ3 LYS A 90 7.813 -3.171 11.207 1.00 31.22 H new ATOM 1459 N TRP A 91 4.755 -0.312 5.950 1.00 14.40 N ATOM 1460 CA TRP A 91 4.071 0.966 5.795 1.00 52.05 C ATOM 1461 C TRP A 91 3.715 1.450 7.203 1.00 22.44 C ATOM 1462 O TRP A 91 2.640 1.130 7.724 1.00 4.30 O ATOM 1463 CB TRP A 91 2.834 0.802 4.886 1.00 61.32 C ATOM 1464 CG TRP A 91 2.900 1.337 3.484 1.00 12.41 C ATOM 1465 CD1 TRP A 91 1.840 1.871 2.839 1.00 14.03 C ATOM 1466 CD2 TRP A 91 3.998 1.404 2.519 1.00 64.11 C ATOM 1467 NE1 TRP A 91 2.228 2.393 1.637 1.00 45.33 N ATOM 1468 CE2 TRP A 91 3.538 2.094 1.355 1.00 4.13 C ATOM 1469 CE3 TRP A 91 5.316 0.908 2.469 1.00 74.23 C ATOM 1470 CZ2 TRP A 91 4.342 2.310 0.225 1.00 23.32 C ATOM 1471 CZ3 TRP A 91 6.115 1.087 1.320 1.00 50.31 C ATOM 1472 CH2 TRP A 91 5.643 1.797 0.206 1.00 23.23 C ATOM 0 H TRP A 91 4.119 -1.079 6.167 1.00 14.40 H new ATOM 0 HA TRP A 91 4.701 1.710 5.307 1.00 52.05 H new ATOM 0 HB2 TRP A 91 2.606 -0.262 4.825 1.00 61.32 H new ATOM 0 HB3 TRP A 91 1.991 1.280 5.384 1.00 61.32 H new ATOM 0 HD1 TRP A 91 0.829 1.884 3.219 1.00 14.03 H new ATOM 0 HE1 TRP A 91 1.620 2.937 1.025 1.00 45.33 H new ATOM 0 HE3 TRP A 91 5.720 0.383 3.322 1.00 74.23 H new ATOM 0 HZ2 TRP A 91 3.961 2.865 -0.619 1.00 23.32 H new ATOM 0 HZ3 TRP A 91 7.110 0.669 1.298 1.00 50.31 H new ATOM 0 HH2 TRP A 91 6.277 1.946 -0.656 1.00 23.23 H new ATOM 1483 N GLU A 92 4.630 2.189 7.828 1.00 41.23 N ATOM 1484 CA GLU A 92 4.466 2.713 9.179 1.00 5.52 C ATOM 1485 C GLU A 92 3.356 3.775 9.179 1.00 63.44 C ATOM 1486 O GLU A 92 3.200 4.494 8.192 1.00 5.53 O ATOM 1487 CB GLU A 92 5.801 3.305 9.653 1.00 64.04 C ATOM 1488 CG GLU A 92 5.960 3.323 11.181 1.00 70.23 C ATOM 1489 CD GLU A 92 6.774 2.151 11.721 1.00 54.35 C ATOM 1490 OE1 GLU A 92 6.473 0.987 11.380 1.00 11.24 O ATOM 1491 OE2 GLU A 92 7.732 2.376 12.497 1.00 70.03 O ATOM 0 H GLU A 92 5.521 2.444 7.401 1.00 41.23 H new ATOM 0 HA GLU A 92 4.178 1.916 9.865 1.00 5.52 H new ATOM 0 HB2 GLU A 92 6.618 2.730 9.218 1.00 64.04 H new ATOM 0 HB3 GLU A 92 5.892 4.323 9.275 1.00 64.04 H new ATOM 0 HG2 GLU A 92 6.440 4.256 11.478 1.00 70.23 H new ATOM 0 HG3 GLU A 92 4.972 3.312 11.642 1.00 70.23 H new ATOM 1498 N ASN A 93 2.585 3.841 10.264 1.00 72.22 N ATOM 1499 CA ASN A 93 1.316 4.563 10.389 1.00 14.20 C ATOM 1500 C ASN A 93 1.379 6.068 10.121 1.00 21.24 C ATOM 1501 O ASN A 93 0.531 6.591 9.407 1.00 63.14 O ATOM 1502 CB ASN A 93 0.733 4.242 11.788 1.00 43.51 C ATOM 1503 CG ASN A 93 -0.368 5.153 12.349 1.00 11.20 C ATOM 1504 OD1 ASN A 93 -0.457 5.273 13.562 1.00 4.52 O ATOM 1505 ND2 ASN A 93 -1.217 5.789 11.557 1.00 24.14 N ATOM 0 H ASN A 93 2.842 3.366 11.129 1.00 72.22 H new ATOM 0 HA ASN A 93 0.659 4.212 9.594 1.00 14.20 H new ATOM 0 HB2 ASN A 93 0.339 3.226 11.758 1.00 43.51 H new ATOM 0 HB3 ASN A 93 1.559 4.243 12.500 1.00 43.51 H new ATOM 0 HD21 ASN A 93 -1.945 6.379 11.959 1.00 24.14 H new ATOM 0 HD22 ASN A 93 -1.143 5.689 10.545 1.00 24.14 H new ATOM 1512 N ALA A 94 2.335 6.787 10.700 1.00 23.23 N ATOM 1513 CA ALA A 94 2.504 8.239 10.631 1.00 62.02 C ATOM 1514 C ALA A 94 1.326 9.090 11.146 1.00 25.20 C ATOM 1515 O ALA A 94 1.477 10.307 11.253 1.00 14.54 O ATOM 1516 CB ALA A 94 2.895 8.654 9.209 1.00 61.12 C ATOM 0 H ALA A 94 3.060 6.346 11.266 1.00 23.23 H new ATOM 0 HA ALA A 94 3.307 8.457 11.335 1.00 62.02 H new ATOM 0 HB1 ALA A 94 3.019 9.736 9.167 1.00 61.12 H new ATOM 0 HB2 ALA A 94 3.832 8.171 8.934 1.00 61.12 H new ATOM 0 HB3 ALA A 94 2.112 8.351 8.513 1.00 61.12 H new ATOM 1522 N SER A 95 0.162 8.531 11.480 1.00 41.32 N ATOM 1523 CA SER A 95 -0.952 9.254 12.086 1.00 31.10 C ATOM 1524 C SER A 95 -1.731 8.367 13.067 1.00 65.11 C ATOM 1525 O SER A 95 -2.835 7.901 12.764 1.00 2.32 O ATOM 1526 CB SER A 95 -1.822 9.833 10.976 1.00 42.11 C ATOM 1527 OG SER A 95 -1.206 11.007 10.481 1.00 34.42 O ATOM 0 H SER A 95 -0.035 7.541 11.333 1.00 41.32 H new ATOM 0 HA SER A 95 -0.576 10.082 12.688 1.00 31.10 H new ATOM 0 HB2 SER A 95 -1.946 9.105 10.174 1.00 42.11 H new ATOM 0 HB3 SER A 95 -2.818 10.061 11.356 1.00 42.11 H new ATOM 0 HG SER A 95 -0.253 10.998 10.709 1.00 34.42 H new ATOM 1533 N PRO A 96 -1.207 8.158 14.285 1.00 23.13 N ATOM 1534 CA PRO A 96 -1.881 7.360 15.302 1.00 24.11 C ATOM 1535 C PRO A 96 -3.124 8.054 15.856 1.00 5.24 C ATOM 1536 O PRO A 96 -3.897 7.426 16.571 1.00 4.52 O ATOM 1537 CB PRO A 96 -0.815 7.057 16.351 1.00 45.33 C ATOM 1538 CG PRO A 96 0.120 8.261 16.263 1.00 34.02 C ATOM 1539 CD PRO A 96 0.072 8.641 14.782 1.00 65.15 C ATOM 0 HA PRO A 96 -2.282 6.432 14.895 1.00 24.11 H new ATOM 0 HB2 PRO A 96 -1.248 6.956 17.346 1.00 45.33 H new ATOM 0 HB3 PRO A 96 -0.292 6.125 16.135 1.00 45.33 H new ATOM 0 HG2 PRO A 96 -0.218 9.079 16.899 1.00 34.02 H new ATOM 0 HG3 PRO A 96 1.132 8.008 16.580 1.00 34.02 H new ATOM 0 HD2 PRO A 96 0.158 9.720 14.653 1.00 65.15 H new ATOM 0 HD3 PRO A 96 0.899 8.188 14.236 1.00 65.15 H new ATOM 1547 N LYS A 97 -3.391 9.305 15.454 1.00 13.20 N ATOM 1548 CA LYS A 97 -4.680 9.978 15.637 1.00 24.30 C ATOM 1549 C LYS A 97 -5.861 9.157 15.114 1.00 50.14 C ATOM 1550 O LYS A 97 -7.006 9.402 15.482 1.00 62.42 O ATOM 1551 CB LYS A 97 -4.637 11.361 14.951 1.00 22.12 C ATOM 1552 CG LYS A 97 -4.831 11.270 13.424 1.00 5.42 C ATOM 1553 CD LYS A 97 -4.822 12.613 12.698 1.00 24.40 C ATOM 1554 CE LYS A 97 -3.415 13.025 12.257 1.00 14.31 C ATOM 1555 NZ LYS A 97 -3.448 14.241 11.424 1.00 21.11 N ATOM 0 H LYS A 97 -2.700 9.888 14.982 1.00 13.20 H new ATOM 0 HA LYS A 97 -4.840 10.096 16.709 1.00 24.30 H new ATOM 0 HB2 LYS A 97 -5.414 11.997 15.375 1.00 22.12 H new ATOM 0 HB3 LYS A 97 -3.681 11.839 15.165 1.00 22.12 H new ATOM 0 HG2 LYS A 97 -4.043 10.642 13.008 1.00 5.42 H new ATOM 0 HG3 LYS A 97 -5.778 10.769 13.221 1.00 5.42 H new ATOM 0 HD2 LYS A 97 -5.472 12.556 11.825 1.00 24.40 H new ATOM 0 HD3 LYS A 97 -5.235 13.380 13.353 1.00 24.40 H new ATOM 0 HE2 LYS A 97 -2.793 13.200 13.135 1.00 14.31 H new ATOM 0 HE3 LYS A 97 -2.954 12.211 11.697 1.00 14.31 H new ATOM 0 HZ1 LYS A 97 -2.480 14.494 11.141 1.00 21.11 H new ATOM 0 HZ2 LYS A 97 -4.022 14.065 10.575 1.00 21.11 H new ATOM 0 HZ3 LYS A 97 -3.866 15.023 11.968 1.00 21.11 H new ATOM 1569 N ASP A 98 -5.578 8.268 14.169 1.00 51.32 N ATOM 1570 CA ASP A 98 -6.536 7.449 13.449 1.00 74.04 C ATOM 1571 C ASP A 98 -6.141 5.978 13.598 1.00 13.23 C ATOM 1572 O ASP A 98 -6.999 5.105 13.720 1.00 12.31 O ATOM 1573 CB ASP A 98 -6.545 7.919 12.002 1.00 52.53 C ATOM 1574 CG ASP A 98 -7.573 7.184 11.152 1.00 34.34 C ATOM 1575 OD1 ASP A 98 -7.225 6.106 10.635 1.00 65.01 O ATOM 1576 OD2 ASP A 98 -8.693 7.716 10.955 1.00 41.34 O ATOM 0 H ASP A 98 -4.619 8.092 13.871 1.00 51.32 H new ATOM 0 HA ASP A 98 -7.547 7.547 13.845 1.00 74.04 H new ATOM 0 HB2 ASP A 98 -6.753 8.989 11.973 1.00 52.53 H new ATOM 0 HB3 ASP A 98 -5.554 7.775 11.571 1.00 52.53 H new ATOM 1581 N GLY A 99 -4.833 5.710 13.698 1.00 54.35 N ATOM 1582 CA GLY A 99 -4.269 4.372 13.872 1.00 70.11 C ATOM 1583 C GLY A 99 -3.996 3.650 12.548 1.00 25.11 C ATOM 1584 O GLY A 99 -3.621 2.481 12.556 1.00 61.42 O ATOM 0 H GLY A 99 -4.121 6.440 13.659 1.00 54.35 H new ATOM 0 HA2 GLY A 99 -3.338 4.448 14.434 1.00 70.11 H new ATOM 0 HA3 GLY A 99 -4.955 3.772 14.470 1.00 70.11 H new ATOM 1588 N ASN A 100 -4.179 4.329 11.416 1.00 51.42 N ATOM 1589 CA ASN A 100 -4.054 3.810 10.060 1.00 24.02 C ATOM 1590 C ASN A 100 -2.711 3.108 9.807 1.00 25.00 C ATOM 1591 O ASN A 100 -1.663 3.732 9.932 1.00 45.33 O ATOM 1592 CB ASN A 100 -4.343 4.958 9.085 1.00 44.35 C ATOM 1593 CG ASN A 100 -3.139 5.734 8.565 1.00 3.31 C ATOM 1594 OD1 ASN A 100 -2.757 6.763 9.116 1.00 25.11 O ATOM 1595 ND2 ASN A 100 -2.572 5.314 7.455 1.00 1.30 N ATOM 0 H ASN A 100 -4.434 5.317 11.425 1.00 51.42 H new ATOM 0 HA ASN A 100 -4.787 3.019 9.901 1.00 24.02 H new ATOM 0 HB2 ASN A 100 -4.880 4.550 8.229 1.00 44.35 H new ATOM 0 HB3 ASN A 100 -5.014 5.662 9.577 1.00 44.35 H new ATOM 0 HD21 ASN A 100 -1.805 5.845 7.042 1.00 1.30 H new ATOM 0 HD22 ASN A 100 -2.899 4.458 7.008 1.00 1.30 H new ATOM 1602 N SER A 101 -2.705 1.843 9.388 1.00 25.24 N ATOM 1603 CA SER A 101 -1.449 1.162 9.084 1.00 52.33 C ATOM 1604 C SER A 101 -0.596 0.853 10.309 1.00 25.33 C ATOM 1605 O SER A 101 -1.074 0.664 11.421 1.00 23.13 O ATOM 1606 CB SER A 101 -0.703 1.851 7.933 1.00 44.53 C ATOM 1607 OG SER A 101 0.003 0.879 7.163 1.00 11.11 O ATOM 0 H SER A 101 -3.543 1.277 9.253 1.00 25.24 H new ATOM 0 HA SER A 101 -1.708 0.168 8.719 1.00 52.33 H new ATOM 0 HB2 SER A 101 -1.409 2.387 7.299 1.00 44.53 H new ATOM 0 HB3 SER A 101 -0.007 2.590 8.330 1.00 44.53 H new ATOM 0 HG SER A 101 0.968 1.022 7.261 1.00 11.11 H new ATOM 1613 N ASP A 102 0.661 0.585 9.998 1.00 62.32 N ATOM 1614 CA ASP A 102 1.662 -0.265 10.574 1.00 10.32 C ATOM 1615 C ASP A 102 1.135 -1.685 10.708 1.00 3.21 C ATOM 1616 O ASP A 102 1.003 -2.271 11.785 1.00 33.13 O ATOM 1617 CB ASP A 102 2.250 0.405 11.791 1.00 12.20 C ATOM 1618 CG ASP A 102 3.349 -0.409 12.456 1.00 73.22 C ATOM 1619 OD1 ASP A 102 3.960 -1.265 11.777 1.00 32.14 O ATOM 1620 OD2 ASP A 102 3.716 -0.097 13.613 1.00 12.20 O ATOM 0 H ASP A 102 1.059 1.053 9.184 1.00 62.32 H new ATOM 0 HA ASP A 102 2.526 -0.401 9.923 1.00 10.32 H new ATOM 0 HB2 ASP A 102 2.651 1.377 11.504 1.00 12.20 H new ATOM 0 HB3 ASP A 102 1.456 0.589 12.515 1.00 12.20 H new ATOM 1625 N LYS A 103 0.866 -2.223 9.518 1.00 22.41 N ATOM 1626 CA LYS A 103 0.809 -3.649 9.213 1.00 10.41 C ATOM 1627 C LYS A 103 1.963 -3.972 8.262 1.00 1.43 C ATOM 1628 O LYS A 103 2.736 -3.077 7.901 1.00 13.50 O ATOM 1629 CB LYS A 103 -0.572 -4.049 8.657 1.00 60.01 C ATOM 1630 CG LYS A 103 -0.790 -3.665 7.184 1.00 4.14 C ATOM 1631 CD LYS A 103 -1.515 -2.316 7.035 1.00 10.42 C ATOM 1632 CE LYS A 103 -1.534 -1.795 5.592 1.00 13.20 C ATOM 1633 NZ LYS A 103 -2.571 -0.765 5.357 1.00 12.13 N ATOM 0 H LYS A 103 0.672 -1.645 8.701 1.00 22.41 H new ATOM 0 HA LYS A 103 0.929 -4.243 10.119 1.00 10.41 H new ATOM 0 HB2 LYS A 103 -0.696 -5.127 8.763 1.00 60.01 H new ATOM 0 HB3 LYS A 103 -1.346 -3.578 9.263 1.00 60.01 H new ATOM 0 HG2 LYS A 103 0.174 -3.615 6.677 1.00 4.14 H new ATOM 0 HG3 LYS A 103 -1.371 -4.444 6.690 1.00 4.14 H new ATOM 0 HD2 LYS A 103 -2.540 -2.421 7.390 1.00 10.42 H new ATOM 0 HD3 LYS A 103 -1.030 -1.578 7.674 1.00 10.42 H new ATOM 0 HE2 LYS A 103 -0.556 -1.379 5.350 1.00 13.20 H new ATOM 0 HE3 LYS A 103 -1.701 -2.631 4.913 1.00 13.20 H new ATOM 0 HZ1 LYS A 103 -2.533 -0.454 4.365 1.00 12.13 H new ATOM 0 HZ2 LYS A 103 -3.510 -1.165 5.558 1.00 12.13 H new ATOM 0 HZ3 LYS A 103 -2.400 0.049 5.982 1.00 12.13 H new ATOM 1647 N ARG A 104 2.045 -5.215 7.784 1.00 44.44 N ATOM 1648 CA ARG A 104 3.253 -5.729 7.155 1.00 41.13 C ATOM 1649 C ARG A 104 2.942 -6.431 5.836 1.00 75.24 C ATOM 1650 O ARG A 104 2.776 -7.644 5.797 1.00 22.33 O ATOM 1651 CB ARG A 104 4.027 -6.595 8.190 1.00 23.53 C ATOM 1652 CG ARG A 104 3.117 -7.465 9.094 1.00 74.22 C ATOM 1653 CD ARG A 104 3.841 -8.331 10.129 1.00 55.10 C ATOM 1654 NE ARG A 104 4.146 -9.655 9.596 1.00 22.25 N ATOM 1655 CZ ARG A 104 5.114 -10.469 10.000 1.00 71.34 C ATOM 1656 NH1 ARG A 104 5.672 -10.307 11.193 1.00 20.44 N ATOM 1657 NH2 ARG A 104 5.499 -11.428 9.165 1.00 73.40 N ATOM 0 H ARG A 104 1.278 -5.887 7.824 1.00 44.44 H new ATOM 0 HA ARG A 104 3.914 -4.911 6.868 1.00 41.13 H new ATOM 0 HB2 ARG A 104 4.720 -7.246 7.657 1.00 23.53 H new ATOM 0 HB3 ARG A 104 4.627 -5.939 8.821 1.00 23.53 H new ATOM 0 HG2 ARG A 104 2.423 -6.808 9.619 1.00 74.22 H new ATOM 0 HG3 ARG A 104 2.519 -8.117 8.457 1.00 74.22 H new ATOM 0 HD2 ARG A 104 4.764 -7.839 10.435 1.00 55.10 H new ATOM 0 HD3 ARG A 104 3.221 -8.430 11.020 1.00 55.10 H new ATOM 0 HE ARG A 104 3.555 -9.989 8.835 1.00 22.25 H new ATOM 0 HH11 ARG A 104 5.358 -9.554 11.805 1.00 20.44 H new ATOM 0 HH12 ARG A 104 6.415 -10.935 11.498 1.00 20.44 H new ATOM 0 HH21 ARG A 104 5.054 -11.518 8.252 1.00 73.40 H new ATOM 0 HH22 ARG A 104 6.240 -12.074 9.437 1.00 73.40 H new ATOM 1671 N LEU A 105 2.832 -5.665 4.745 1.00 32.12 N ATOM 1672 CA LEU A 105 2.344 -6.133 3.447 1.00 4.35 C ATOM 1673 C LEU A 105 3.312 -7.185 2.925 1.00 11.03 C ATOM 1674 O LEU A 105 4.492 -6.895 2.702 1.00 22.53 O ATOM 1675 CB LEU A 105 2.260 -4.988 2.416 1.00 23.55 C ATOM 1676 CG LEU A 105 1.084 -4.021 2.580 1.00 74.11 C ATOM 1677 CD1 LEU A 105 -0.227 -4.662 2.255 1.00 42.02 C ATOM 1678 CD2 LEU A 105 1.126 -3.277 3.900 1.00 52.42 C ATOM 0 H LEU A 105 3.087 -4.677 4.742 1.00 32.12 H new ATOM 0 HA LEU A 105 1.342 -6.539 3.583 1.00 4.35 H new ATOM 0 HB2 LEU A 105 3.186 -4.414 2.464 1.00 23.55 H new ATOM 0 HB3 LEU A 105 2.208 -5.426 1.419 1.00 23.55 H new ATOM 0 HG LEU A 105 1.196 -3.239 1.829 1.00 74.11 H new ATOM 0 HD11 LEU A 105 -1.029 -3.936 2.386 1.00 42.02 H new ATOM 0 HD12 LEU A 105 -0.216 -5.008 1.221 1.00 42.02 H new ATOM 0 HD13 LEU A 105 -0.392 -5.510 2.920 1.00 42.02 H new ATOM 0 HD21 LEU A 105 0.271 -2.605 3.966 1.00 52.42 H new ATOM 0 HD22 LEU A 105 1.090 -3.992 4.722 1.00 52.42 H new ATOM 0 HD23 LEU A 105 2.048 -2.698 3.962 1.00 52.42 H new ATOM 1690 N GLU A 106 2.804 -8.387 2.667 1.00 51.14 N ATOM 1691 CA GLU A 106 3.642 -9.553 2.412 1.00 73.44 C ATOM 1692 C GLU A 106 3.389 -10.050 0.992 1.00 1.05 C ATOM 1693 O GLU A 106 3.068 -11.212 0.746 1.00 43.40 O ATOM 1694 CB GLU A 106 3.355 -10.626 3.468 1.00 61.50 C ATOM 1695 CG GLU A 106 4.580 -11.498 3.753 1.00 24.54 C ATOM 1696 CD GLU A 106 4.279 -12.727 4.626 1.00 63.13 C ATOM 1697 OE1 GLU A 106 3.415 -13.534 4.207 1.00 40.23 O ATOM 1698 OE2 GLU A 106 4.997 -13.009 5.613 1.00 20.23 O ATOM 0 H GLU A 106 1.803 -8.579 2.629 1.00 51.14 H new ATOM 0 HA GLU A 106 4.698 -9.295 2.488 1.00 73.44 H new ATOM 0 HB2 GLU A 106 3.029 -10.147 4.391 1.00 61.50 H new ATOM 0 HB3 GLU A 106 2.533 -11.257 3.129 1.00 61.50 H new ATOM 0 HG2 GLU A 106 5.004 -11.832 2.806 1.00 24.54 H new ATOM 0 HG3 GLU A 106 5.339 -10.891 4.246 1.00 24.54 H new ATOM 1705 N LYS A 107 3.535 -9.131 0.040 1.00 44.01 N ATOM 1706 CA LYS A 107 3.287 -9.389 -1.369 1.00 62.44 C ATOM 1707 C LYS A 107 1.868 -9.871 -1.634 1.00 12.44 C ATOM 1708 O LYS A 107 1.007 -9.639 -0.796 1.00 12.44 O ATOM 1709 CB LYS A 107 4.406 -10.297 -1.893 1.00 74.44 C ATOM 1710 CG LYS A 107 4.943 -9.786 -3.244 1.00 40.30 C ATOM 1711 CD LYS A 107 5.601 -8.397 -3.168 1.00 44.22 C ATOM 1712 CE LYS A 107 5.408 -7.549 -4.424 1.00 22.53 C ATOM 1713 NZ LYS A 107 6.337 -7.885 -5.521 1.00 63.53 N ATOM 0 H LYS A 107 3.833 -8.175 0.232 1.00 44.01 H new ATOM 0 HA LYS A 107 3.328 -8.463 -1.943 1.00 62.44 H new ATOM 0 HB2 LYS A 107 5.217 -10.337 -1.166 1.00 74.44 H new ATOM 0 HB3 LYS A 107 4.031 -11.314 -2.008 1.00 74.44 H new ATOM 0 HG2 LYS A 107 5.670 -10.501 -3.629 1.00 40.30 H new ATOM 0 HG3 LYS A 107 4.122 -9.750 -3.960 1.00 40.30 H new ATOM 0 HD2 LYS A 107 5.193 -7.859 -2.312 1.00 44.22 H new ATOM 0 HD3 LYS A 107 6.669 -8.521 -2.986 1.00 44.22 H new ATOM 0 HE2 LYS A 107 4.384 -7.670 -4.778 1.00 22.53 H new ATOM 0 HE3 LYS A 107 5.534 -6.498 -4.164 1.00 22.53 H new ATOM 0 HZ1 LYS A 107 6.147 -7.270 -6.338 1.00 63.53 H new ATOM 0 HZ2 LYS A 107 7.317 -7.743 -5.202 1.00 63.53 H new ATOM 0 HZ3 LYS A 107 6.203 -8.879 -5.797 1.00 63.53 H new ATOM 1727 N TYR A 108 1.553 -10.342 -2.837 1.00 73.33 N ATOM 1728 CA TYR A 108 0.194 -10.719 -3.211 1.00 14.13 C ATOM 1729 C TYR A 108 0.069 -12.232 -3.249 1.00 52.40 C ATOM 1730 O TYR A 108 0.330 -12.872 -4.269 1.00 55.33 O ATOM 1731 CB TYR A 108 -0.205 -10.064 -4.527 1.00 0.01 C ATOM 1732 CG TYR A 108 -1.682 -10.190 -4.832 1.00 33.13 C ATOM 1733 CD1 TYR A 108 -2.610 -9.468 -4.056 1.00 62.22 C ATOM 1734 CD2 TYR A 108 -2.132 -11.003 -5.890 1.00 74.42 C ATOM 1735 CE1 TYR A 108 -3.976 -9.522 -4.367 1.00 5.01 C ATOM 1736 CE2 TYR A 108 -3.504 -11.065 -6.198 1.00 60.14 C ATOM 1737 CZ TYR A 108 -4.428 -10.311 -5.443 1.00 53.12 C ATOM 1738 OH TYR A 108 -5.741 -10.263 -5.791 1.00 72.41 O ATOM 0 H TYR A 108 2.236 -10.473 -3.583 1.00 73.33 H new ATOM 0 HA TYR A 108 -0.504 -10.353 -2.458 1.00 14.13 H new ATOM 0 HB2 TYR A 108 0.064 -9.008 -4.496 1.00 0.01 H new ATOM 0 HB3 TYR A 108 0.367 -10.515 -5.338 1.00 0.01 H new ATOM 0 HD1 TYR A 108 -2.269 -8.873 -3.222 1.00 62.22 H new ATOM 0 HD2 TYR A 108 -1.423 -11.580 -6.466 1.00 74.42 H new ATOM 0 HE1 TYR A 108 -4.684 -8.957 -3.780 1.00 5.01 H new ATOM 0 HE2 TYR A 108 -3.849 -11.688 -7.010 1.00 60.14 H new ATOM 0 HH TYR A 108 -5.900 -10.861 -6.551 1.00 72.41 H new ATOM 1748 N ASN A 109 -0.330 -12.811 -2.123 1.00 21.15 N ATOM 1749 CA ASN A 109 -0.293 -14.257 -1.918 1.00 31.14 C ATOM 1750 C ASN A 109 -1.663 -14.880 -2.219 1.00 31.32 C ATOM 1751 O ASN A 109 -2.048 -15.851 -1.563 1.00 62.10 O ATOM 1752 CB ASN A 109 0.309 -14.590 -0.536 1.00 33.13 C ATOM 1753 CG ASN A 109 1.796 -14.220 -0.444 1.00 61.43 C ATOM 1754 OD1 ASN A 109 2.316 -13.432 -1.231 1.00 0.41 O ATOM 1755 ND2 ASN A 109 2.539 -14.788 0.485 1.00 52.32 N ATOM 0 H ASN A 109 -0.690 -12.291 -1.323 1.00 21.15 H new ATOM 0 HA ASN A 109 0.382 -14.728 -2.633 1.00 31.14 H new ATOM 0 HB2 ASN A 109 -0.244 -14.057 0.237 1.00 33.13 H new ATOM 0 HB3 ASN A 109 0.189 -15.655 -0.337 1.00 33.13 H new ATOM 0 HD21 ASN A 109 3.534 -14.572 0.545 1.00 52.32 H new ATOM 0 HD22 ASN A 109 2.119 -15.444 1.144 1.00 52.32 H new ATOM 1762 N ASP A 110 -2.342 -14.329 -3.233 1.00 55.33 N ATOM 1763 CA ASP A 110 -3.554 -14.729 -3.952 1.00 60.53 C ATOM 1764 C ASP A 110 -4.860 -14.550 -3.188 1.00 0.45 C ATOM 1765 O ASP A 110 -5.801 -13.979 -3.778 1.00 43.40 O ATOM 1766 CB ASP A 110 -3.392 -16.136 -4.515 1.00 32.43 C ATOM 1767 CG ASP A 110 -4.546 -16.498 -5.447 1.00 72.21 C ATOM 1768 OD1 ASP A 110 -4.441 -16.137 -6.642 1.00 20.55 O ATOM 1769 OD2 ASP A 110 -5.489 -17.225 -5.043 1.00 60.32 O ATOM 0 H ASP A 110 -1.995 -13.454 -3.626 1.00 55.33 H new ATOM 0 HA ASP A 110 -3.655 -14.024 -4.777 1.00 60.53 H new ATOM 0 HB2 ASP A 110 -2.449 -16.207 -5.057 1.00 32.43 H new ATOM 0 HB3 ASP A 110 -3.344 -16.854 -3.696 1.00 32.43 H new