USER MOD reduce.3.24.130724 H: found=0, std=0, add=985, rem=0, adj=45 USER MOD reduce.3.24.130724 removed 994 hydrogens (97 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 NoAdj-H: A 65 ASNHD21 : A 65 ASN ND2 : A 106 NAG C1 :(H bumps) USER MOD Set 1.1: A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 84 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 60 TYR OH : rot 180:sc= 1.01 USER MOD Set 2.2: A 81 TYR OH : rot -20:sc= 0.498 USER MOD Set 3.1: A 38 THR OG1 : rot 140:sc= -1.55 USER MOD Set 3.2: A 39 SER OG : rot 180:sc= 0.0109 USER MOD Single : A 1 LYS N :NH3+ -111:sc= 0.0218 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 ASN : amide:sc= -0.667 X(o=-0.67,f=-0.67) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 ASN : amide:sc= -0.653 K(o=-0.65,f=-4.9!) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -0.0121 X(o=-0.012,f=-0.012) USER MOD Single : A 26 MET CE :methyl 168:sc= -4.8! (180deg=-5.78!) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ -146:sc= -0.0509 (180deg=-0.704) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= -0.0607 X(o=-0.061,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 177:sc= 1.11 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.483 USER MOD Single : A 69 LYS NZ :NH3+ -140:sc= 0.193 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 HIS : no HD1:sc= -0.0976 X(o=-0.098,f=-0.018) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= -0.706 X(o=-0.71,f=-0.65) USER MOD Single : A 86 TYR OH : rot 180:sc= -0.135 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= -2.97 K(o=-3,f=-2.2) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 GLN : amide:sc= -0.0787 X(o=-0.079,f=-0.0053) USER MOD Single : A 106 NAG O3 : rot 180:sc= 0 USER MOD Single : A 106 NAG O6 : rot 180:sc= 0 USER MOD Single : A 107 NAG O3 : rot 171:sc= 0.0138 USER MOD Single : A 107 NAG O6 : rot 21:sc= 0.475 USER MOD Single : A 108 BMA O2 : rot -23:sc= 0.0164 USER MOD Single : A 108 BMA O4 : rot 170:sc= 0 USER MOD Single : A 109 MAN O3 : rot 27:sc= 0.0447 USER MOD Single : A 109 MAN O4 : rot 29:sc=0.000143 USER MOD Single : A 109 MAN O6 : rot 12:sc= 0.434 USER MOD Single : A 110 MAN O2 : rot 154:sc= 0.0451 USER MOD Single : A 110 MAN O3 : rot 180:sc= 0.0348 USER MOD Single : A 110 MAN O4 : rot -163:sc= 0.885 USER MOD Single : A 110 MAN O6 : rot 180:sc= 0.734 USER MOD Single : A 111 MAN O2 : rot 148:sc= 0.0411 USER MOD Single : A 111 MAN O4 : rot 160:sc= 0.0231 USER MOD Single : A 112 MAN O2 : rot 147:sc= -2.79! USER MOD Single : A 112 MAN O3 : rot 180:sc= 0.0304 USER MOD Single : A 112 MAN O4 : rot -153:sc= 0.188 USER MOD Single : A 112 MAN O6 : rot 180:sc= 0.212 USER MOD Single : A 113 MAN O3 : rot 35:sc= 0.023 USER MOD Single : A 113 MAN O4 : rot 180:sc= 0 USER MOD Single : A 113 MAN O6 : rot 180:sc= 0 USER MOD Single : A 114 MAN O2 : rot 149:sc= 0.0368 USER MOD Single : A 114 MAN O3 : rot 180:sc= 0.0343 USER MOD Single : A 114 MAN O4 : rot 160:sc= 0 USER MOD Single : A 114 MAN O6 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 18.763 13.273 -14.708 1.00 0.00 N ATOM 2 CA LYS A 1 18.514 12.502 -13.494 1.00 0.00 C ATOM 3 C LYS A 1 17.363 11.544 -13.687 1.00 0.00 C ATOM 4 O LYS A 1 16.407 11.809 -14.431 1.00 0.00 O ATOM 5 CB LYS A 1 18.236 13.472 -12.313 1.00 0.00 C ATOM 6 CG LYS A 1 18.531 12.853 -10.924 1.00 0.00 C ATOM 7 CD LYS A 1 19.688 13.505 -10.161 1.00 0.00 C ATOM 8 CE LYS A 1 19.136 14.620 -9.262 1.00 0.00 C ATOM 9 NZ LYS A 1 18.743 14.050 -7.961 1.00 0.00 N ATOM 0 H1 LYS A 1 19.670 12.981 -15.125 1.00 0.00 H new ATOM 0 H2 LYS A 1 17.997 13.103 -15.391 1.00 0.00 H new ATOM 0 H3 LYS A 1 18.800 14.286 -14.475 1.00 0.00 H new ATOM 0 HA LYS A 1 19.398 11.907 -13.265 1.00 0.00 H new ATOM 0 HB2 LYS A 1 18.843 14.369 -12.439 1.00 0.00 H new ATOM 0 HB3 LYS A 1 17.193 13.786 -12.348 1.00 0.00 H new ATOM 0 HG2 LYS A 1 17.630 12.919 -10.314 1.00 0.00 H new ATOM 0 HG3 LYS A 1 18.752 11.793 -11.054 1.00 0.00 H new ATOM 0 HD2 LYS A 1 20.208 12.760 -9.559 1.00 0.00 H new ATOM 0 HD3 LYS A 1 20.417 13.913 -10.861 1.00 0.00 H new ATOM 0 HE2 LYS A 1 19.890 15.394 -9.119 1.00 0.00 H new ATOM 0 HE3 LYS A 1 18.278 15.095 -9.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 18.369 14.804 -7.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 18.010 13.326 -8.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 19.572 13.617 -7.507 1.00 0.00 H new ATOM 25 N GLU A 2 17.436 10.405 -13.023 1.00 0.00 N ATOM 26 CA GLU A 2 16.445 9.346 -13.193 1.00 0.00 C ATOM 27 C GLU A 2 15.858 8.934 -11.864 1.00 0.00 C ATOM 28 O GLU A 2 16.563 8.488 -10.947 1.00 0.00 O ATOM 29 CB GLU A 2 17.126 8.144 -13.906 1.00 0.00 C ATOM 30 CG GLU A 2 16.241 7.291 -14.874 1.00 0.00 C ATOM 31 CD GLU A 2 15.189 8.010 -15.721 1.00 0.00 C ATOM 32 OE1 GLU A 2 15.330 9.157 -16.126 1.00 0.00 O ATOM 33 OE2 GLU A 2 14.085 7.256 -15.981 1.00 0.00 O ATOM 0 H GLU A 2 18.175 10.184 -12.355 1.00 0.00 H new ATOM 0 HA GLU A 2 15.619 9.710 -13.803 1.00 0.00 H new ATOM 0 HB2 GLU A 2 17.976 8.525 -14.473 1.00 0.00 H new ATOM 0 HB3 GLU A 2 17.526 7.479 -13.140 1.00 0.00 H new ATOM 0 HG2 GLU A 2 16.908 6.760 -15.553 1.00 0.00 H new ATOM 0 HG3 GLU A 2 15.728 6.537 -14.277 1.00 0.00 H new ATOM 40 N ILE A 3 14.551 9.069 -11.742 1.00 0.00 N ATOM 41 CA ILE A 3 13.828 8.593 -10.566 1.00 0.00 C ATOM 42 C ILE A 3 12.769 7.588 -10.952 1.00 0.00 C ATOM 43 O ILE A 3 12.309 7.529 -12.101 1.00 0.00 O ATOM 44 CB ILE A 3 13.222 9.797 -9.735 1.00 0.00 C ATOM 45 CG1 ILE A 3 14.243 10.527 -8.805 1.00 0.00 C ATOM 46 CG2 ILE A 3 11.994 9.376 -8.869 1.00 0.00 C ATOM 47 CD1 ILE A 3 14.583 9.808 -7.483 1.00 0.00 C ATOM 0 H ILE A 3 13.959 9.508 -12.447 1.00 0.00 H new ATOM 0 HA ILE A 3 14.541 8.084 -9.917 1.00 0.00 H new ATOM 0 HB ILE A 3 12.912 10.496 -10.512 1.00 0.00 H new ATOM 0 HG12 ILE A 3 15.168 10.679 -9.362 1.00 0.00 H new ATOM 0 HG13 ILE A 3 13.847 11.515 -8.568 1.00 0.00 H new ATOM 0 HG21 ILE A 3 11.621 10.242 -8.322 1.00 0.00 H new ATOM 0 HG22 ILE A 3 11.207 8.989 -9.517 1.00 0.00 H new ATOM 0 HG23 ILE A 3 12.295 8.602 -8.163 1.00 0.00 H new ATOM 0 HD11 ILE A 3 15.300 10.404 -6.918 1.00 0.00 H new ATOM 0 HD12 ILE A 3 13.675 9.680 -6.895 1.00 0.00 H new ATOM 0 HD13 ILE A 3 15.015 8.831 -7.701 1.00 0.00 H new ATOM 59 N THR A 4 12.373 6.767 -9.997 1.00 0.00 N ATOM 60 CA THR A 4 11.314 5.785 -10.211 1.00 0.00 C ATOM 61 C THR A 4 9.965 6.355 -9.840 1.00 0.00 C ATOM 62 O THR A 4 9.850 7.444 -9.259 1.00 0.00 O ATOM 63 CB THR A 4 11.604 4.477 -9.400 1.00 0.00 C ATOM 64 OG1 THR A 4 11.868 4.785 -8.037 1.00 0.00 O ATOM 65 CG2 THR A 4 12.824 3.647 -9.852 1.00 0.00 C ATOM 0 H THR A 4 12.769 6.757 -9.057 1.00 0.00 H new ATOM 0 HA THR A 4 11.294 5.535 -11.272 1.00 0.00 H new ATOM 0 HB THR A 4 10.701 3.890 -9.569 1.00 0.00 H new ATOM 0 HG1 THR A 4 12.046 3.957 -7.543 1.00 0.00 H new ATOM 0 HG21 THR A 4 12.922 2.767 -9.216 1.00 0.00 H new ATOM 0 HG22 THR A 4 12.687 3.333 -10.887 1.00 0.00 H new ATOM 0 HG23 THR A 4 13.726 4.254 -9.773 1.00 0.00 H new ATOM 73 N ASN A 5 8.918 5.615 -10.153 1.00 0.00 N ATOM 74 CA ASN A 5 7.554 6.031 -9.840 1.00 0.00 C ATOM 75 C ASN A 5 6.655 4.832 -9.649 1.00 0.00 C ATOM 76 O ASN A 5 5.566 4.728 -10.231 1.00 0.00 O ATOM 77 CB ASN A 5 7.019 6.951 -10.976 1.00 0.00 C ATOM 78 CG ASN A 5 7.860 8.184 -11.322 1.00 0.00 C ATOM 79 OD1 ASN A 5 7.761 9.236 -10.708 1.00 0.00 O ATOM 80 ND2 ASN A 5 8.727 8.100 -12.295 1.00 0.00 N ATOM 0 H ASN A 5 8.982 4.715 -10.628 1.00 0.00 H new ATOM 0 HA ASN A 5 7.559 6.589 -8.904 1.00 0.00 H new ATOM 0 HB2 ASN A 5 6.912 6.349 -11.878 1.00 0.00 H new ATOM 0 HB3 ASN A 5 6.021 7.288 -10.698 1.00 0.00 H new ATOM 0 HD21 ASN A 5 9.308 8.904 -12.531 1.00 0.00 H new ATOM 0 HD22 ASN A 5 8.823 7.230 -12.818 1.00 0.00 H new ATOM 87 N ALA A 6 7.104 3.897 -8.831 1.00 0.00 N ATOM 88 CA ALA A 6 6.390 2.641 -8.620 1.00 0.00 C ATOM 89 C ALA A 6 6.807 1.988 -7.321 1.00 0.00 C ATOM 90 O ALA A 6 7.726 2.436 -6.621 1.00 0.00 O ATOM 91 CB ALA A 6 6.649 1.747 -9.845 1.00 0.00 C ATOM 0 H ALA A 6 7.968 3.981 -8.295 1.00 0.00 H new ATOM 0 HA ALA A 6 5.318 2.816 -8.526 1.00 0.00 H new ATOM 0 HB1 ALA A 6 6.128 0.798 -9.719 1.00 0.00 H new ATOM 0 HB2 ALA A 6 6.283 2.245 -10.743 1.00 0.00 H new ATOM 0 HB3 ALA A 6 7.719 1.564 -9.942 1.00 0.00 H new ATOM 97 N LEU A 7 6.111 0.921 -6.970 1.00 0.00 N ATOM 98 CA LEU A 7 6.334 0.216 -5.711 1.00 0.00 C ATOM 99 C LEU A 7 6.281 -1.280 -5.913 1.00 0.00 C ATOM 100 O LEU A 7 5.207 -1.900 -5.939 1.00 0.00 O ATOM 101 CB LEU A 7 5.301 0.675 -4.642 1.00 0.00 C ATOM 102 CG LEU A 7 5.250 -0.062 -3.277 1.00 0.00 C ATOM 103 CD1 LEU A 7 6.541 0.197 -2.488 1.00 0.00 C ATOM 104 CD2 LEU A 7 4.036 0.344 -2.423 1.00 0.00 C ATOM 0 H LEU A 7 5.374 0.515 -7.547 1.00 0.00 H new ATOM 0 HA LEU A 7 7.332 0.465 -5.349 1.00 0.00 H new ATOM 0 HB2 LEU A 7 5.485 1.730 -4.439 1.00 0.00 H new ATOM 0 HB3 LEU A 7 4.310 0.604 -5.091 1.00 0.00 H new ATOM 0 HG LEU A 7 5.151 -1.125 -3.499 1.00 0.00 H new ATOM 0 HD11 LEU A 7 6.494 -0.325 -1.532 1.00 0.00 H new ATOM 0 HD12 LEU A 7 7.395 -0.167 -3.059 1.00 0.00 H new ATOM 0 HD13 LEU A 7 6.651 1.267 -2.312 1.00 0.00 H new ATOM 0 HD21 LEU A 7 4.054 -0.204 -1.481 1.00 0.00 H new ATOM 0 HD22 LEU A 7 4.075 1.414 -2.221 1.00 0.00 H new ATOM 0 HD23 LEU A 7 3.118 0.109 -2.961 1.00 0.00 H new ATOM 116 N GLU A 8 7.441 -1.889 -6.084 1.00 0.00 N ATOM 117 CA GLU A 8 7.542 -3.342 -6.183 1.00 0.00 C ATOM 118 C GLU A 8 6.883 -4.010 -4.999 1.00 0.00 C ATOM 119 O GLU A 8 7.437 -4.073 -3.891 1.00 0.00 O ATOM 120 CB GLU A 8 9.044 -3.730 -6.281 1.00 0.00 C ATOM 121 CG GLU A 8 9.878 -3.123 -7.457 1.00 0.00 C ATOM 122 CD GLU A 8 9.279 -1.968 -8.263 1.00 0.00 C ATOM 123 OE1 GLU A 8 8.171 -2.021 -8.781 1.00 0.00 O ATOM 124 OE2 GLU A 8 10.093 -0.880 -8.349 1.00 0.00 O ATOM 0 H GLU A 8 8.333 -1.400 -6.158 1.00 0.00 H new ATOM 0 HA GLU A 8 7.020 -3.686 -7.076 1.00 0.00 H new ATOM 0 HB2 GLU A 8 9.526 -3.444 -5.346 1.00 0.00 H new ATOM 0 HB3 GLU A 8 9.106 -4.816 -6.352 1.00 0.00 H new ATOM 0 HG2 GLU A 8 10.828 -2.782 -7.047 1.00 0.00 H new ATOM 0 HG3 GLU A 8 10.103 -3.930 -8.154 1.00 0.00 H new ATOM 131 N THR A 9 5.693 -4.537 -5.215 1.00 0.00 N ATOM 132 CA THR A 9 4.915 -5.164 -4.146 1.00 0.00 C ATOM 133 C THR A 9 4.863 -6.662 -4.338 1.00 0.00 C ATOM 134 O THR A 9 4.744 -7.167 -5.468 1.00 0.00 O ATOM 135 CB THR A 9 3.480 -4.539 -4.088 1.00 0.00 C ATOM 136 OG1 THR A 9 3.472 -3.388 -3.253 1.00 0.00 O ATOM 137 CG2 THR A 9 2.364 -5.438 -3.514 1.00 0.00 C ATOM 0 H THR A 9 5.235 -4.547 -6.126 1.00 0.00 H new ATOM 0 HA THR A 9 5.403 -4.973 -3.190 1.00 0.00 H new ATOM 0 HB THR A 9 3.266 -4.343 -5.139 1.00 0.00 H new ATOM 0 HG1 THR A 9 2.569 -3.008 -3.228 1.00 0.00 H new ATOM 0 HG21 THR A 9 1.418 -4.896 -3.525 1.00 0.00 H new ATOM 0 HG22 THR A 9 2.274 -6.338 -4.122 1.00 0.00 H new ATOM 0 HG23 THR A 9 2.611 -5.715 -2.489 1.00 0.00 H new ATOM 145 N TRP A 10 4.970 -7.408 -3.255 1.00 0.00 N ATOM 146 CA TRP A 10 5.089 -8.864 -3.323 1.00 0.00 C ATOM 147 C TRP A 10 4.244 -9.542 -2.271 1.00 0.00 C ATOM 148 O TRP A 10 4.145 -9.089 -1.121 1.00 0.00 O ATOM 149 CB TRP A 10 6.582 -9.252 -3.122 1.00 0.00 C ATOM 150 CG TRP A 10 7.472 -9.025 -4.347 1.00 0.00 C ATOM 151 CD1 TRP A 10 8.344 -7.935 -4.545 1.00 0.00 C ATOM 152 CD2 TRP A 10 7.537 -9.774 -5.503 1.00 0.00 C ATOM 153 NE1 TRP A 10 8.955 -7.982 -5.813 1.00 0.00 N ATOM 154 CE2 TRP A 10 8.437 -9.132 -6.389 1.00 0.00 C ATOM 155 CE3 TRP A 10 6.904 -10.989 -5.872 1.00 0.00 C ATOM 156 CZ2 TRP A 10 8.678 -9.678 -7.669 1.00 0.00 C ATOM 157 CZ3 TRP A 10 7.110 -11.475 -7.164 1.00 0.00 C ATOM 158 CH2 TRP A 10 7.991 -10.836 -8.047 1.00 0.00 C ATOM 0 H TRP A 10 4.978 -7.032 -2.307 1.00 0.00 H new ATOM 0 HA TRP A 10 4.733 -9.196 -4.298 1.00 0.00 H new ATOM 0 HB2 TRP A 10 6.983 -8.678 -2.287 1.00 0.00 H new ATOM 0 HB3 TRP A 10 6.635 -10.304 -2.841 1.00 0.00 H new ATOM 0 HD1 TRP A 10 8.522 -7.160 -3.814 1.00 0.00 H new ATOM 0 HE1 TRP A 10 9.623 -7.324 -6.214 1.00 0.00 H new ATOM 0 HE3 TRP A 10 6.279 -11.524 -5.172 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 9.380 -9.210 -8.343 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 6.581 -12.359 -7.489 1.00 0.00 H new ATOM 0 HH2 TRP A 10 8.142 -11.244 -9.035 1.00 0.00 H new ATOM 169 N GLY A 11 3.636 -10.657 -2.635 1.00 0.00 N ATOM 170 CA GLY A 11 2.765 -11.400 -1.728 1.00 0.00 C ATOM 171 C GLY A 11 2.844 -12.886 -1.985 1.00 0.00 C ATOM 172 O GLY A 11 3.930 -13.460 -2.167 1.00 0.00 O ATOM 0 H GLY A 11 3.728 -11.075 -3.561 1.00 0.00 H new ATOM 0 HA2 GLY A 11 3.048 -11.192 -0.696 1.00 0.00 H new ATOM 0 HA3 GLY A 11 1.736 -11.062 -1.850 1.00 0.00 H new ATOM 176 N ALA A 12 1.701 -13.549 -1.984 1.00 0.00 N ATOM 177 CA ALA A 12 1.658 -15.004 -2.122 1.00 0.00 C ATOM 178 C ALA A 12 0.251 -15.498 -2.359 1.00 0.00 C ATOM 179 O ALA A 12 -0.735 -14.923 -1.871 1.00 0.00 O ATOM 180 CB ALA A 12 2.291 -15.605 -0.853 1.00 0.00 C ATOM 0 H ALA A 12 0.786 -13.107 -1.889 1.00 0.00 H new ATOM 0 HA ALA A 12 2.223 -15.323 -2.998 1.00 0.00 H new ATOM 0 HB1 ALA A 12 2.277 -16.693 -0.920 1.00 0.00 H new ATOM 0 HB2 ALA A 12 3.321 -15.260 -0.762 1.00 0.00 H new ATOM 0 HB3 ALA A 12 1.724 -15.288 0.022 1.00 0.00 H new ATOM 186 N LEU A 13 0.122 -16.563 -3.131 1.00 0.00 N ATOM 187 CA LEU A 13 -1.164 -17.229 -3.312 1.00 0.00 C ATOM 188 C LEU A 13 -1.616 -17.858 -2.009 1.00 0.00 C ATOM 189 O LEU A 13 -0.968 -18.712 -1.393 1.00 0.00 O ATOM 190 CB LEU A 13 -1.116 -18.298 -4.441 1.00 0.00 C ATOM 191 CG LEU A 13 -1.896 -19.623 -4.231 1.00 0.00 C ATOM 192 CD1 LEU A 13 -3.289 -19.372 -3.629 1.00 0.00 C ATOM 193 CD2 LEU A 13 -2.038 -20.438 -5.529 1.00 0.00 C ATOM 0 H LEU A 13 0.893 -16.989 -3.646 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.885 -16.470 -3.615 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.488 -17.834 -5.355 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.070 -18.551 -4.615 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.303 -20.207 -3.527 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.805 -20.323 -3.497 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.184 -18.878 -2.663 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.866 -18.736 -4.300 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.592 -21.354 -5.324 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -2.575 -19.848 -6.272 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -1.049 -20.689 -5.911 1.00 0.00 H new ATOM 205 N GLY A 14 -2.795 -17.434 -1.578 1.00 0.00 N ATOM 206 CA GLY A 14 -3.464 -17.946 -0.384 1.00 0.00 C ATOM 207 C GLY A 14 -3.107 -17.046 0.781 1.00 0.00 C ATOM 208 O GLY A 14 -2.986 -17.473 1.937 1.00 0.00 O ATOM 0 H GLY A 14 -3.328 -16.708 -2.057 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -4.544 -17.966 -0.532 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -3.151 -18.971 -0.183 1.00 0.00 H new ATOM 212 N GLN A 15 -2.911 -15.771 0.470 1.00 0.00 N ATOM 213 CA GLN A 15 -2.345 -14.835 1.437 1.00 0.00 C ATOM 214 C GLN A 15 -3.268 -13.695 1.816 1.00 0.00 C ATOM 215 O GLN A 15 -4.460 -13.622 1.497 1.00 0.00 O ATOM 216 CB GLN A 15 -1.025 -14.278 0.841 1.00 0.00 C ATOM 217 CG GLN A 15 0.290 -14.919 1.399 1.00 0.00 C ATOM 218 CD GLN A 15 1.016 -14.242 2.568 1.00 0.00 C ATOM 219 OE1 GLN A 15 0.858 -14.624 3.716 1.00 0.00 O ATOM 220 NE2 GLN A 15 1.837 -13.249 2.339 1.00 0.00 N ATOM 0 H GLN A 15 -3.133 -15.362 -0.438 1.00 0.00 H new ATOM 0 HA GLN A 15 -2.175 -15.383 2.364 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -1.047 -14.419 -0.240 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -0.990 -13.204 1.022 1.00 0.00 H new ATOM 0 HG2 GLN A 15 0.054 -15.938 1.706 1.00 0.00 H new ATOM 0 HG3 GLN A 15 0.996 -14.991 0.572 1.00 0.00 H new ATOM 0 HE21 GLN A 15 1.982 -12.916 1.386 1.00 0.00 H new ATOM 0 HE22 GLN A 15 2.332 -12.808 3.114 1.00 0.00 H new ATOM 229 N ASP A 16 -2.705 -12.781 2.595 1.00 0.00 N ATOM 230 CA ASP A 16 -3.333 -11.511 2.940 1.00 0.00 C ATOM 231 C ASP A 16 -2.271 -10.464 3.205 1.00 0.00 C ATOM 232 O ASP A 16 -1.406 -10.611 4.080 1.00 0.00 O ATOM 233 CB ASP A 16 -4.302 -11.660 4.141 1.00 0.00 C ATOM 234 CG ASP A 16 -4.133 -10.655 5.291 1.00 0.00 C ATOM 235 OD1 ASP A 16 -4.613 -9.530 5.264 1.00 0.00 O ATOM 236 OD2 ASP A 16 -3.377 -11.142 6.320 1.00 0.00 O ATOM 0 H ASP A 16 -1.782 -12.903 3.013 1.00 0.00 H new ATOM 0 HA ASP A 16 -3.935 -11.183 2.093 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -5.323 -11.581 3.767 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -4.188 -12.665 4.548 1.00 0.00 H new ATOM 241 N ILE A 17 -2.317 -9.398 2.427 1.00 0.00 N ATOM 242 CA ILE A 17 -1.278 -8.372 2.470 1.00 0.00 C ATOM 243 C ILE A 17 -1.851 -7.018 2.133 1.00 0.00 C ATOM 244 O ILE A 17 -2.953 -6.901 1.566 1.00 0.00 O ATOM 245 CB ILE A 17 -0.049 -8.742 1.543 1.00 0.00 C ATOM 246 CG1 ILE A 17 1.135 -7.725 1.601 1.00 0.00 C ATOM 247 CG2 ILE A 17 -0.452 -8.934 0.048 1.00 0.00 C ATOM 248 CD1 ILE A 17 2.400 -8.099 0.802 1.00 0.00 C ATOM 0 H ILE A 17 -3.062 -9.215 1.755 1.00 0.00 H new ATOM 0 HA ILE A 17 -0.895 -8.325 3.489 1.00 0.00 H new ATOM 0 HB ILE A 17 0.295 -9.689 1.960 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.776 -6.761 1.240 1.00 0.00 H new ATOM 0 HG13 ILE A 17 1.418 -7.589 2.645 1.00 0.00 H new ATOM 0 HG21 ILE A 17 0.432 -9.186 -0.538 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -1.182 -9.740 -0.032 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -0.888 -8.011 -0.333 1.00 0.00 H new ATOM 0 HD11 ILE A 17 3.150 -7.317 0.920 1.00 0.00 H new ATOM 0 HD12 ILE A 17 2.799 -9.043 1.173 1.00 0.00 H new ATOM 0 HD13 ILE A 17 2.147 -8.202 -0.253 1.00 0.00 H new ATOM 260 N ASN A 18 -1.123 -5.964 2.452 1.00 0.00 N ATOM 261 CA ASN A 18 -1.640 -4.604 2.316 1.00 0.00 C ATOM 262 C ASN A 18 -0.923 -3.806 1.246 1.00 0.00 C ATOM 263 O ASN A 18 0.196 -4.097 0.806 1.00 0.00 O ATOM 264 CB ASN A 18 -1.529 -3.879 3.691 1.00 0.00 C ATOM 265 CG ASN A 18 -1.866 -4.702 4.939 1.00 0.00 C ATOM 266 OD1 ASN A 18 -2.367 -5.814 4.872 1.00 0.00 O ATOM 267 ND2 ASN A 18 -1.607 -4.196 6.115 1.00 0.00 N ATOM 0 H ASN A 18 -0.169 -6.018 2.808 1.00 0.00 H new ATOM 0 HA ASN A 18 -2.682 -4.675 2.004 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -0.510 -3.505 3.796 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -2.187 -3.010 3.670 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -1.823 -4.728 6.958 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -1.189 -3.269 6.190 1.00 0.00 H new ATOM 274 N LEU A 19 -1.583 -2.739 0.819 1.00 0.00 N ATOM 275 CA LEU A 19 -1.020 -1.753 -0.099 1.00 0.00 C ATOM 276 C LEU A 19 -0.599 -0.521 0.667 1.00 0.00 C ATOM 277 O LEU A 19 -1.408 0.104 1.379 1.00 0.00 O ATOM 278 CB LEU A 19 -2.033 -1.396 -1.224 1.00 0.00 C ATOM 279 CG LEU A 19 -1.748 -1.923 -2.656 1.00 0.00 C ATOM 280 CD1 LEU A 19 -0.886 -3.196 -2.660 1.00 0.00 C ATOM 281 CD2 LEU A 19 -3.069 -2.190 -3.392 1.00 0.00 C ATOM 0 H LEU A 19 -2.540 -2.529 1.104 1.00 0.00 H new ATOM 0 HA LEU A 19 -0.140 -2.182 -0.578 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.012 -1.766 -0.921 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.105 -0.310 -1.276 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.182 -1.147 -3.172 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.719 -3.519 -3.688 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.073 -2.988 -2.185 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.400 -3.985 -2.111 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.858 -2.559 -4.396 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.646 -2.935 -2.845 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.642 -1.265 -3.459 1.00 0.00 H new ATOM 293 N ASP A 20 0.663 -0.152 0.570 1.00 0.00 N ATOM 294 CA ASP A 20 1.214 0.913 1.406 1.00 0.00 C ATOM 295 C ASP A 20 1.177 2.243 0.688 1.00 0.00 C ATOM 296 O ASP A 20 0.347 2.487 -0.199 1.00 0.00 O ATOM 297 CB ASP A 20 2.638 0.514 1.880 1.00 0.00 C ATOM 298 CG ASP A 20 2.871 -0.974 2.179 1.00 0.00 C ATOM 299 OD1 ASP A 20 2.668 -1.473 3.276 1.00 0.00 O ATOM 300 OD2 ASP A 20 3.341 -1.665 1.097 1.00 0.00 O ATOM 0 H ASP A 20 1.332 -0.570 -0.077 1.00 0.00 H new ATOM 0 HA ASP A 20 0.596 1.040 2.295 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.351 0.824 1.116 1.00 0.00 H new ATOM 0 HB3 ASP A 20 2.869 1.083 2.781 1.00 0.00 H new ATOM 305 N ILE A 21 2.061 3.138 1.086 1.00 0.00 N ATOM 306 CA ILE A 21 2.058 4.513 0.588 1.00 0.00 C ATOM 307 C ILE A 21 3.323 5.229 0.998 1.00 0.00 C ATOM 308 O ILE A 21 3.932 4.924 2.040 1.00 0.00 O ATOM 309 CB ILE A 21 0.747 5.274 1.054 1.00 0.00 C ATOM 310 CG1 ILE A 21 0.527 6.686 0.421 1.00 0.00 C ATOM 311 CG2 ILE A 21 0.663 5.426 2.605 1.00 0.00 C ATOM 312 CD1 ILE A 21 1.192 7.865 1.161 1.00 0.00 C ATOM 0 H ILE A 21 2.801 2.940 1.760 1.00 0.00 H new ATOM 0 HA ILE A 21 2.042 4.497 -0.502 1.00 0.00 H new ATOM 0 HB ILE A 21 -0.044 4.622 0.685 1.00 0.00 H new ATOM 0 HG12 ILE A 21 0.901 6.667 -0.603 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -0.545 6.875 0.365 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.253 5.954 2.870 1.00 0.00 H new ATOM 0 HG22 ILE A 21 0.660 4.439 3.068 1.00 0.00 H new ATOM 0 HG23 ILE A 21 1.524 5.992 2.962 1.00 0.00 H new ATOM 0 HD11 ILE A 21 0.974 8.794 0.635 1.00 0.00 H new ATOM 0 HD12 ILE A 21 0.802 7.923 2.177 1.00 0.00 H new ATOM 0 HD13 ILE A 21 2.271 7.712 1.195 1.00 0.00 H new ATOM 324 N PRO A 22 3.756 6.182 0.198 1.00 0.00 N ATOM 325 CA PRO A 22 4.953 7.100 0.426 1.00 0.00 C ATOM 326 C PRO A 22 5.021 7.715 1.810 1.00 0.00 C ATOM 327 O PRO A 22 4.173 7.507 2.687 1.00 0.00 O ATOM 328 CB PRO A 22 4.857 8.226 -0.595 1.00 0.00 C ATOM 329 CG PRO A 22 3.447 8.090 -1.185 1.00 0.00 C ATOM 330 CD PRO A 22 3.159 6.582 -1.102 1.00 0.00 C ATOM 0 HA PRO A 22 5.852 6.492 0.322 1.00 0.00 H new ATOM 0 HB2 PRO A 22 4.999 9.200 -0.126 1.00 0.00 H new ATOM 0 HB3 PRO A 22 5.621 8.129 -1.366 1.00 0.00 H new ATOM 0 HG2 PRO A 22 2.718 8.668 -0.617 1.00 0.00 H new ATOM 0 HG3 PRO A 22 3.407 8.449 -2.213 1.00 0.00 H new ATOM 0 HD2 PRO A 22 2.089 6.376 -1.132 1.00 0.00 H new ATOM 0 HD3 PRO A 22 3.611 6.041 -1.934 1.00 0.00 H new ATOM 338 N SER A 23 6.054 8.527 2.008 1.00 0.00 N ATOM 339 CA SER A 23 6.333 9.107 3.320 1.00 0.00 C ATOM 340 C SER A 23 5.584 10.402 3.554 1.00 0.00 C ATOM 341 O SER A 23 6.037 11.288 4.298 1.00 0.00 O ATOM 342 CB SER A 23 7.858 9.301 3.515 1.00 0.00 C ATOM 343 OG SER A 23 8.288 9.025 4.853 1.00 0.00 O ATOM 0 H SER A 23 6.712 8.799 1.278 1.00 0.00 H new ATOM 0 HA SER A 23 5.972 8.401 4.067 1.00 0.00 H new ATOM 0 HB2 SER A 23 8.393 8.649 2.825 1.00 0.00 H new ATOM 0 HB3 SER A 23 8.125 10.326 3.257 1.00 0.00 H new ATOM 0 HG SER A 23 9.256 9.161 4.920 1.00 0.00 H new ATOM 349 N PHE A 24 4.420 10.535 2.949 1.00 0.00 N ATOM 350 CA PHE A 24 3.503 11.643 3.213 1.00 0.00 C ATOM 351 C PHE A 24 2.297 11.147 3.976 1.00 0.00 C ATOM 352 O PHE A 24 1.595 10.215 3.531 1.00 0.00 O ATOM 353 CB PHE A 24 3.033 12.281 1.872 1.00 0.00 C ATOM 354 CG PHE A 24 2.449 13.699 1.950 1.00 0.00 C ATOM 355 CD1 PHE A 24 1.535 14.042 2.949 1.00 0.00 C ATOM 356 CD2 PHE A 24 2.789 14.642 0.973 1.00 0.00 C ATOM 357 CE1 PHE A 24 0.959 15.310 2.964 1.00 0.00 C ATOM 358 CE2 PHE A 24 2.214 15.908 0.989 1.00 0.00 C ATOM 359 CZ PHE A 24 1.296 16.241 1.982 1.00 0.00 C ATOM 0 H PHE A 24 4.075 9.874 2.253 1.00 0.00 H new ATOM 0 HA PHE A 24 4.027 12.392 3.807 1.00 0.00 H new ATOM 0 HB2 PHE A 24 3.882 12.300 1.188 1.00 0.00 H new ATOM 0 HB3 PHE A 24 2.281 11.627 1.429 1.00 0.00 H new ATOM 0 HD1 PHE A 24 1.274 13.323 3.711 1.00 0.00 H new ATOM 0 HD2 PHE A 24 3.501 14.385 0.203 1.00 0.00 H new ATOM 0 HE1 PHE A 24 0.251 15.572 3.736 1.00 0.00 H new ATOM 0 HE2 PHE A 24 2.479 16.632 0.233 1.00 0.00 H new ATOM 0 HZ PHE A 24 0.844 17.222 1.992 1.00 0.00 H new ATOM 369 N GLN A 25 2.015 11.726 5.126 1.00 0.00 N ATOM 370 CA GLN A 25 0.973 11.222 6.020 1.00 0.00 C ATOM 371 C GLN A 25 -0.099 12.261 6.250 1.00 0.00 C ATOM 372 O GLN A 25 0.128 13.478 6.193 1.00 0.00 O ATOM 373 CB GLN A 25 1.626 10.797 7.353 1.00 0.00 C ATOM 374 CG GLN A 25 2.436 11.901 8.109 1.00 0.00 C ATOM 375 CD GLN A 25 3.894 12.163 7.712 1.00 0.00 C ATOM 376 OE1 GLN A 25 4.261 13.271 7.356 1.00 0.00 O ATOM 377 NE2 GLN A 25 4.762 11.184 7.728 1.00 0.00 N ATOM 0 H GLN A 25 2.495 12.556 5.473 1.00 0.00 H new ATOM 0 HA GLN A 25 0.489 10.361 5.560 1.00 0.00 H new ATOM 0 HB2 GLN A 25 0.842 10.432 8.017 1.00 0.00 H new ATOM 0 HB3 GLN A 25 2.293 9.958 7.155 1.00 0.00 H new ATOM 0 HG2 GLN A 25 1.892 12.839 8.000 1.00 0.00 H new ATOM 0 HG3 GLN A 25 2.425 11.648 9.169 1.00 0.00 H new ATOM 0 HE21 GLN A 25 4.473 10.251 8.023 1.00 0.00 H new ATOM 0 HE22 GLN A 25 5.727 11.354 7.446 1.00 0.00 H new ATOM 386 N MET A 26 -1.306 11.783 6.505 1.00 0.00 N ATOM 387 CA MET A 26 -2.477 12.640 6.656 1.00 0.00 C ATOM 388 C MET A 26 -2.653 13.067 8.093 1.00 0.00 C ATOM 389 O MET A 26 -2.062 12.500 9.024 1.00 0.00 O ATOM 390 CB MET A 26 -3.742 11.893 6.143 1.00 0.00 C ATOM 391 CG MET A 26 -3.565 11.116 4.821 1.00 0.00 C ATOM 392 SD MET A 26 -5.044 10.163 4.446 1.00 0.00 S ATOM 393 CE MET A 26 -6.129 10.816 5.723 1.00 0.00 C ATOM 0 H MET A 26 -1.505 10.788 6.614 1.00 0.00 H new ATOM 0 HA MET A 26 -2.331 13.541 6.060 1.00 0.00 H new ATOM 0 HB2 MET A 26 -4.068 11.194 6.914 1.00 0.00 H new ATOM 0 HB3 MET A 26 -4.544 12.620 6.012 1.00 0.00 H new ATOM 0 HG2 MET A 26 -3.358 11.812 4.008 1.00 0.00 H new ATOM 0 HG3 MET A 26 -2.706 10.450 4.896 1.00 0.00 H new ATOM 0 HE1 MET A 26 -7.154 10.505 5.523 1.00 0.00 H new ATOM 0 HE2 MET A 26 -5.817 10.435 6.695 1.00 0.00 H new ATOM 0 HE3 MET A 26 -6.074 11.905 5.726 1.00 0.00 H new ATOM 403 N SER A 27 -3.476 14.077 8.299 1.00 0.00 N ATOM 404 CA SER A 27 -3.851 14.514 9.643 1.00 0.00 C ATOM 405 C SER A 27 -5.177 15.245 9.602 1.00 0.00 C ATOM 406 O SER A 27 -6.199 14.662 9.175 1.00 0.00 O ATOM 407 CB SER A 27 -2.703 15.340 10.279 1.00 0.00 C ATOM 408 OG SER A 27 -2.156 16.313 9.383 1.00 0.00 O ATOM 0 H SER A 27 -3.905 14.619 7.549 1.00 0.00 H new ATOM 0 HA SER A 27 -3.997 13.649 10.290 1.00 0.00 H new ATOM 0 HB2 SER A 27 -3.075 15.843 11.171 1.00 0.00 H new ATOM 0 HB3 SER A 27 -1.911 14.664 10.601 1.00 0.00 H new ATOM 0 HG SER A 27 -1.439 16.806 9.834 1.00 0.00 H new ATOM 414 N ASP A 28 -5.237 16.492 10.023 1.00 0.00 N ATOM 415 CA ASP A 28 -6.504 17.211 10.142 1.00 0.00 C ATOM 416 C ASP A 28 -6.853 17.949 8.870 1.00 0.00 C ATOM 417 O ASP A 28 -7.680 18.891 8.897 1.00 0.00 O ATOM 418 CB ASP A 28 -6.456 18.172 11.361 1.00 0.00 C ATOM 419 CG ASP A 28 -5.335 19.222 11.367 1.00 0.00 C ATOM 420 OD1 ASP A 28 -4.151 18.731 11.843 1.00 0.00 O ATOM 421 OD2 ASP A 28 -5.499 20.374 10.993 1.00 0.00 O ATOM 0 H ASP A 28 -4.419 17.039 10.292 1.00 0.00 H new ATOM 0 HA ASP A 28 -7.296 16.480 10.306 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -7.411 18.694 11.421 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -6.364 17.570 12.265 1.00 0.00 H new ATOM 426 N ASP A 29 -6.283 17.574 7.741 1.00 0.00 N ATOM 427 CA ASP A 29 -6.456 18.326 6.494 1.00 0.00 C ATOM 428 C ASP A 29 -6.995 17.472 5.362 1.00 0.00 C ATOM 429 O ASP A 29 -7.924 17.843 4.632 1.00 0.00 O ATOM 430 CB ASP A 29 -5.120 19.009 6.104 1.00 0.00 C ATOM 431 CG ASP A 29 -4.676 20.198 6.968 1.00 0.00 C ATOM 432 OD1 ASP A 29 -5.701 20.739 7.693 1.00 0.00 O ATOM 433 OD2 ASP A 29 -3.528 20.620 6.982 1.00 0.00 O ATOM 0 H ASP A 29 -5.690 16.748 7.653 1.00 0.00 H new ATOM 0 HA ASP A 29 -7.210 19.093 6.672 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -4.332 18.256 6.131 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -5.201 19.350 5.072 1.00 0.00 H new ATOM 438 N ILE A 30 -6.411 16.291 5.228 1.00 0.00 N ATOM 439 CA ILE A 30 -6.717 15.404 4.110 1.00 0.00 C ATOM 440 C ILE A 30 -8.086 14.784 4.279 1.00 0.00 C ATOM 441 O ILE A 30 -8.449 14.305 5.366 1.00 0.00 O ATOM 442 CB ILE A 30 -5.589 14.313 3.904 1.00 0.00 C ATOM 443 CG1 ILE A 30 -4.386 14.779 3.023 1.00 0.00 C ATOM 444 CG2 ILE A 30 -6.140 12.981 3.306 1.00 0.00 C ATOM 445 CD1 ILE A 30 -3.568 13.657 2.350 1.00 0.00 C ATOM 0 H ILE A 30 -5.720 15.921 5.881 1.00 0.00 H new ATOM 0 HA ILE A 30 -6.738 16.003 3.199 1.00 0.00 H new ATOM 0 HB ILE A 30 -5.222 14.147 4.917 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -4.766 15.442 2.245 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -3.713 15.370 3.645 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -5.322 12.270 3.187 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -6.889 12.563 3.978 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -6.594 13.178 2.335 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -2.760 14.097 1.765 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -3.148 13.004 3.115 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -4.217 13.077 1.694 1.00 0.00 H new ATOM 457 N ASP A 31 -8.855 14.761 3.207 1.00 0.00 N ATOM 458 CA ASP A 31 -10.253 14.339 3.266 1.00 0.00 C ATOM 459 C ASP A 31 -10.573 13.236 2.282 1.00 0.00 C ATOM 460 O ASP A 31 -11.562 12.489 2.479 1.00 0.00 O ATOM 461 CB ASP A 31 -11.179 15.570 3.058 1.00 0.00 C ATOM 462 CG ASP A 31 -11.890 16.118 4.303 1.00 0.00 C ATOM 463 OD1 ASP A 31 -11.201 15.874 5.459 1.00 0.00 O ATOM 464 OD2 ASP A 31 -12.950 16.726 4.253 1.00 0.00 O ATOM 0 H ASP A 31 -8.538 15.031 2.276 1.00 0.00 H new ATOM 0 HA ASP A 31 -10.432 13.918 4.255 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -10.584 16.374 2.625 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -11.938 15.304 2.322 1.00 0.00 H new ATOM 469 N ASP A 32 -9.790 13.060 1.236 1.00 0.00 N ATOM 470 CA ASP A 32 -10.130 12.125 0.162 1.00 0.00 C ATOM 471 C ASP A 32 -9.051 11.085 -0.046 1.00 0.00 C ATOM 472 O ASP A 32 -7.842 11.338 0.046 1.00 0.00 O ATOM 473 CB ASP A 32 -10.428 12.911 -1.142 1.00 0.00 C ATOM 474 CG ASP A 32 -10.718 12.085 -2.403 1.00 0.00 C ATOM 475 OD1 ASP A 32 -9.647 11.336 -2.804 1.00 0.00 O ATOM 476 OD2 ASP A 32 -11.789 12.120 -2.991 1.00 0.00 O ATOM 0 H ASP A 32 -8.907 13.552 1.099 1.00 0.00 H new ATOM 0 HA ASP A 32 -11.028 11.579 0.453 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -11.284 13.560 -0.958 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -9.576 13.558 -1.350 1.00 0.00 H new ATOM 481 N ILE A 33 -9.489 9.875 -0.349 1.00 0.00 N ATOM 482 CA ILE A 33 -8.608 8.772 -0.721 1.00 0.00 C ATOM 483 C ILE A 33 -9.122 8.080 -1.963 1.00 0.00 C ATOM 484 O ILE A 33 -10.330 8.131 -2.270 1.00 0.00 O ATOM 485 CB ILE A 33 -8.411 7.747 0.472 1.00 0.00 C ATOM 486 CG1 ILE A 33 -8.802 8.287 1.886 1.00 0.00 C ATOM 487 CG2 ILE A 33 -6.955 7.191 0.554 1.00 0.00 C ATOM 488 CD1 ILE A 33 -7.627 8.709 2.792 1.00 0.00 C ATOM 0 H ILE A 33 -10.478 9.624 -0.345 1.00 0.00 H new ATOM 0 HA ILE A 33 -7.626 9.190 -0.944 1.00 0.00 H new ATOM 0 HB ILE A 33 -9.110 6.951 0.216 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -9.463 9.144 1.757 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -9.376 7.517 2.402 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -6.878 6.494 1.389 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -6.710 6.674 -0.374 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -6.258 8.016 0.704 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -8.014 9.067 3.746 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -6.974 7.853 2.963 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -7.062 9.505 2.308 1.00 0.00 H new ATOM 500 N LYS A 34 -8.248 7.423 -2.702 1.00 0.00 N ATOM 501 CA LYS A 34 -8.677 6.605 -3.837 1.00 0.00 C ATOM 502 C LYS A 34 -7.650 5.551 -4.189 1.00 0.00 C ATOM 503 O LYS A 34 -6.429 5.752 -4.147 1.00 0.00 O ATOM 504 CB LYS A 34 -8.972 7.518 -5.058 1.00 0.00 C ATOM 505 CG LYS A 34 -10.433 8.039 -5.101 1.00 0.00 C ATOM 506 CD LYS A 34 -11.016 8.201 -6.507 1.00 0.00 C ATOM 507 CE LYS A 34 -11.972 9.401 -6.524 1.00 0.00 C ATOM 508 NZ LYS A 34 -11.393 10.478 -7.346 1.00 0.00 N ATOM 0 H LYS A 34 -7.240 7.435 -2.544 1.00 0.00 H new ATOM 0 HA LYS A 34 -9.589 6.080 -3.553 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -8.291 8.369 -5.038 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -8.764 6.965 -5.974 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -11.065 7.353 -4.538 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -10.476 9.002 -4.592 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -10.215 8.350 -7.231 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -11.546 7.295 -6.800 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -12.940 9.103 -6.926 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -12.144 9.757 -5.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -11.657 11.401 -6.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -10.357 10.389 -7.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -11.755 10.406 -8.318 1.00 0.00 H new ATOM 522 N TRP A 35 -8.154 4.387 -4.569 1.00 0.00 N ATOM 523 CA TRP A 35 -7.333 3.254 -4.980 1.00 0.00 C ATOM 524 C TRP A 35 -7.986 2.513 -6.126 1.00 0.00 C ATOM 525 O TRP A 35 -9.111 1.997 -6.000 1.00 0.00 O ATOM 526 CB TRP A 35 -7.155 2.291 -3.775 1.00 0.00 C ATOM 527 CG TRP A 35 -5.954 2.553 -2.862 1.00 0.00 C ATOM 528 CD1 TRP A 35 -5.991 3.277 -1.649 1.00 0.00 C ATOM 529 CD2 TRP A 35 -4.670 2.065 -2.977 1.00 0.00 C ATOM 530 NE1 TRP A 35 -4.745 3.243 -0.992 1.00 0.00 N ATOM 531 CE2 TRP A 35 -3.945 2.484 -1.831 1.00 0.00 C ATOM 532 CE3 TRP A 35 -4.050 1.265 -3.973 1.00 0.00 C ATOM 533 CZ2 TRP A 35 -2.597 2.092 -1.660 1.00 0.00 C ATOM 534 CZ3 TRP A 35 -2.737 0.842 -3.749 1.00 0.00 C ATOM 535 CH2 TRP A 35 -2.007 1.285 -2.637 1.00 0.00 C ATOM 0 H TRP A 35 -9.156 4.198 -4.602 1.00 0.00 H new ATOM 0 HA TRP A 35 -6.362 3.622 -5.311 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -8.060 2.333 -3.169 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -7.076 1.274 -4.160 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -6.863 3.791 -1.273 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -4.491 3.677 -0.104 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -4.577 0.992 -4.875 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -2.036 2.409 -0.794 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -2.275 0.160 -4.447 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -0.971 0.998 -2.534 1.00 0.00 H new ATOM 546 N GLU A 36 -7.306 2.417 -7.252 1.00 0.00 N ATOM 547 CA GLU A 36 -7.898 1.846 -8.460 1.00 0.00 C ATOM 548 C GLU A 36 -6.979 0.826 -9.086 1.00 0.00 C ATOM 549 O GLU A 36 -5.855 0.583 -8.605 1.00 0.00 O ATOM 550 CB GLU A 36 -8.196 3.008 -9.451 1.00 0.00 C ATOM 551 CG GLU A 36 -9.691 3.399 -9.690 1.00 0.00 C ATOM 552 CD GLU A 36 -9.995 4.552 -10.649 1.00 0.00 C ATOM 553 OE1 GLU A 36 -9.798 4.242 -11.960 1.00 0.00 O ATOM 554 OE2 GLU A 36 -10.379 5.651 -10.269 1.00 0.00 O ATOM 0 H GLU A 36 -6.340 2.726 -7.362 1.00 0.00 H new ATOM 0 HA GLU A 36 -8.823 1.327 -8.207 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -7.671 3.894 -9.095 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -7.761 2.746 -10.415 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -10.211 2.515 -10.058 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -10.129 3.647 -8.723 1.00 0.00 H new ATOM 561 N LYS A 37 -7.427 0.189 -10.150 1.00 0.00 N ATOM 562 CA LYS A 37 -6.555 -0.690 -10.933 1.00 0.00 C ATOM 563 C LYS A 37 -5.809 0.121 -11.964 1.00 0.00 C ATOM 564 O LYS A 37 -6.391 1.046 -12.582 1.00 0.00 O ATOM 565 CB LYS A 37 -7.386 -1.828 -11.583 1.00 0.00 C ATOM 566 CG LYS A 37 -7.953 -2.838 -10.553 1.00 0.00 C ATOM 567 CD LYS A 37 -9.451 -3.124 -10.693 1.00 0.00 C ATOM 568 CE LYS A 37 -9.644 -4.520 -11.300 1.00 0.00 C ATOM 569 NZ LYS A 37 -9.517 -5.536 -10.240 1.00 0.00 N ATOM 0 H LYS A 37 -8.383 0.257 -10.498 1.00 0.00 H new ATOM 0 HA LYS A 37 -5.820 -1.157 -10.277 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -8.211 -1.391 -12.145 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -6.761 -2.362 -12.299 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -7.408 -3.777 -10.648 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -7.762 -2.458 -9.549 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -9.937 -3.068 -9.719 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -9.919 -2.371 -11.327 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -10.624 -4.591 -11.772 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -8.902 -4.696 -12.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -9.648 -6.483 -10.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -8.573 -5.472 -9.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -10.241 -5.371 -9.512 1.00 0.00 H new ATOM 583 N THR A 38 -4.549 -0.180 -12.209 1.00 0.00 N ATOM 584 CA THR A 38 -3.716 0.692 -13.045 1.00 0.00 C ATOM 585 C THR A 38 -4.158 0.660 -14.488 1.00 0.00 C ATOM 586 O THR A 38 -4.527 1.690 -15.080 1.00 0.00 O ATOM 587 CB THR A 38 -2.198 0.325 -12.926 1.00 0.00 C ATOM 588 OG1 THR A 38 -1.923 -0.907 -13.580 1.00 0.00 O ATOM 589 CG2 THR A 38 -1.660 0.146 -11.490 1.00 0.00 C ATOM 0 H THR A 38 -4.075 -1.009 -11.851 1.00 0.00 H new ATOM 0 HA THR A 38 -3.846 1.709 -12.674 1.00 0.00 H new ATOM 0 HB THR A 38 -1.706 1.186 -13.379 1.00 0.00 H new ATOM 0 HG1 THR A 38 -1.069 -0.841 -14.055 1.00 0.00 H new ATOM 0 HG21 THR A 38 -0.600 -0.106 -11.527 1.00 0.00 H new ATOM 0 HG22 THR A 38 -1.793 1.074 -10.933 1.00 0.00 H new ATOM 0 HG23 THR A 38 -2.206 -0.656 -10.994 1.00 0.00 H new ATOM 597 N SER A 39 -4.155 -0.517 -15.085 1.00 0.00 N ATOM 598 CA SER A 39 -4.431 -0.660 -16.513 1.00 0.00 C ATOM 599 C SER A 39 -5.878 -1.028 -16.745 1.00 0.00 C ATOM 600 O SER A 39 -6.508 -0.631 -17.735 1.00 0.00 O ATOM 601 CB SER A 39 -3.470 -1.684 -17.166 1.00 0.00 C ATOM 602 OG SER A 39 -2.881 -2.579 -16.216 1.00 0.00 O ATOM 0 H SER A 39 -3.964 -1.396 -14.605 1.00 0.00 H new ATOM 0 HA SER A 39 -4.254 0.303 -16.993 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.015 -2.262 -17.912 1.00 0.00 H new ATOM 0 HB3 SER A 39 -2.680 -1.149 -17.692 1.00 0.00 H new ATOM 0 HG SER A 39 -2.286 -3.204 -16.681 1.00 0.00 H new ATOM 608 N ASP A 40 -6.422 -1.820 -15.838 1.00 0.00 N ATOM 609 CA ASP A 40 -7.844 -2.149 -15.850 1.00 0.00 C ATOM 610 C ASP A 40 -8.682 -0.930 -15.548 1.00 0.00 C ATOM 611 O ASP A 40 -9.827 -0.794 -16.009 1.00 0.00 O ATOM 612 CB ASP A 40 -8.135 -3.311 -14.865 1.00 0.00 C ATOM 613 CG ASP A 40 -9.377 -4.167 -15.156 1.00 0.00 C ATOM 614 OD1 ASP A 40 -9.386 -5.072 -15.977 1.00 0.00 O ATOM 615 OD2 ASP A 40 -10.454 -3.815 -14.391 1.00 0.00 O ATOM 0 H ASP A 40 -5.899 -2.252 -15.076 1.00 0.00 H new ATOM 0 HA ASP A 40 -8.119 -2.485 -16.850 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -7.265 -3.968 -14.847 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -8.238 -2.891 -13.864 1.00 0.00 H new ATOM 620 N LYS A 41 -8.127 -0.005 -14.784 1.00 0.00 N ATOM 621 CA LYS A 41 -8.814 1.251 -14.484 1.00 0.00 C ATOM 622 C LYS A 41 -10.170 0.987 -13.876 1.00 0.00 C ATOM 623 O LYS A 41 -11.218 1.364 -14.421 1.00 0.00 O ATOM 624 CB LYS A 41 -8.938 2.095 -15.782 1.00 0.00 C ATOM 625 CG LYS A 41 -9.728 3.413 -15.589 1.00 0.00 C ATOM 626 CD LYS A 41 -9.209 4.604 -16.400 1.00 0.00 C ATOM 627 CE LYS A 41 -10.306 5.079 -17.362 1.00 0.00 C ATOM 628 NZ LYS A 41 -11.293 5.885 -16.622 1.00 0.00 N ATOM 0 H LYS A 41 -7.204 -0.094 -14.358 1.00 0.00 H new ATOM 0 HA LYS A 41 -8.232 1.812 -13.753 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -7.939 2.330 -16.150 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -9.428 1.496 -16.550 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -10.770 3.237 -15.857 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -9.711 3.678 -14.532 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -8.919 5.415 -15.732 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -8.318 4.318 -16.959 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -9.868 5.670 -18.167 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -10.795 4.222 -17.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -12.037 6.207 -17.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -11.719 5.307 -15.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -10.821 6.710 -16.200 1.00 0.00 H new ATOM 642 N LYS A 42 -10.177 0.310 -12.741 1.00 0.00 N ATOM 643 CA LYS A 42 -11.430 -0.016 -12.059 1.00 0.00 C ATOM 644 C LYS A 42 -11.309 0.165 -10.563 1.00 0.00 C ATOM 645 O LYS A 42 -10.485 -0.460 -9.881 1.00 0.00 O ATOM 646 CB LYS A 42 -11.854 -1.469 -12.409 1.00 0.00 C ATOM 647 CG LYS A 42 -13.374 -1.624 -12.662 1.00 0.00 C ATOM 648 CD LYS A 42 -14.018 -2.846 -12.001 1.00 0.00 C ATOM 649 CE LYS A 42 -15.430 -3.044 -12.569 1.00 0.00 C ATOM 650 NZ LYS A 42 -16.202 -3.918 -11.669 1.00 0.00 N ATOM 0 H LYS A 42 -9.337 -0.026 -12.269 1.00 0.00 H new ATOM 0 HA LYS A 42 -12.201 0.673 -12.405 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -11.311 -1.794 -13.296 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -11.560 -2.131 -11.595 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -13.880 -0.727 -12.304 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -13.545 -1.679 -13.737 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -13.412 -3.734 -12.183 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -14.064 -2.708 -10.921 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -15.929 -2.081 -12.675 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -15.375 -3.486 -13.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -17.159 -4.053 -12.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -15.728 -4.840 -11.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -16.265 -3.479 -10.728 1.00 0.00 H new ATOM 664 N LYS A 43 -12.157 1.024 -10.022 1.00 0.00 N ATOM 665 CA LYS A 43 -12.114 1.420 -8.619 1.00 0.00 C ATOM 666 C LYS A 43 -12.032 0.222 -7.697 1.00 0.00 C ATOM 667 O LYS A 43 -12.398 -0.911 -8.036 1.00 0.00 O ATOM 668 CB LYS A 43 -13.368 2.278 -8.287 1.00 0.00 C ATOM 669 CG LYS A 43 -13.234 3.762 -8.708 1.00 0.00 C ATOM 670 CD LYS A 43 -14.561 4.471 -8.997 1.00 0.00 C ATOM 671 CE LYS A 43 -14.277 5.856 -9.594 1.00 0.00 C ATOM 672 NZ LYS A 43 -14.815 5.918 -10.964 1.00 0.00 N ATOM 0 H LYS A 43 -12.905 1.473 -10.550 1.00 0.00 H new ATOM 0 HA LYS A 43 -11.212 2.010 -8.458 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -14.236 1.845 -8.784 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -13.558 2.229 -7.215 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -12.714 4.303 -7.918 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -12.607 3.817 -9.598 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -15.159 3.879 -9.690 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -15.141 4.570 -8.079 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -14.733 6.630 -8.977 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -13.204 6.047 -9.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -14.623 6.856 -11.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -14.360 5.188 -11.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -15.842 5.754 -10.942 1.00 0.00 H new ATOM 686 N ILE A 44 -11.559 0.474 -6.488 1.00 0.00 N ATOM 687 CA ILE A 44 -11.399 -0.554 -5.465 1.00 0.00 C ATOM 688 C ILE A 44 -11.835 -0.030 -4.114 1.00 0.00 C ATOM 689 O ILE A 44 -12.644 -0.622 -3.387 1.00 0.00 O ATOM 690 CB ILE A 44 -9.914 -1.102 -5.425 1.00 0.00 C ATOM 691 CG1 ILE A 44 -9.477 -1.921 -6.682 1.00 0.00 C ATOM 692 CG2 ILE A 44 -9.627 -1.969 -4.160 1.00 0.00 C ATOM 693 CD1 ILE A 44 -7.959 -1.981 -6.952 1.00 0.00 C ATOM 0 H ILE A 44 -11.272 1.404 -6.183 1.00 0.00 H new ATOM 0 HA ILE A 44 -12.043 -1.394 -5.724 1.00 0.00 H new ATOM 0 HB ILE A 44 -9.322 -0.187 -5.401 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -9.848 -2.940 -6.575 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -9.966 -1.494 -7.558 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -8.595 -2.318 -4.185 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -9.786 -1.369 -3.264 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -10.300 -2.826 -4.146 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -7.772 -2.574 -7.847 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -7.575 -0.971 -7.099 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -7.456 -2.440 -6.101 1.00 0.00 H new ATOM 705 N ALA A 45 -11.302 1.129 -3.766 1.00 0.00 N ATOM 706 CA ALA A 45 -11.543 1.770 -2.476 1.00 0.00 C ATOM 707 C ALA A 45 -11.432 3.274 -2.614 1.00 0.00 C ATOM 708 O ALA A 45 -10.451 3.772 -3.221 1.00 0.00 O ATOM 709 CB ALA A 45 -10.542 1.186 -1.463 1.00 0.00 C ATOM 0 H ALA A 45 -10.681 1.661 -4.376 1.00 0.00 H new ATOM 0 HA ALA A 45 -12.553 1.571 -2.117 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -10.699 1.648 -0.488 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -10.692 0.109 -1.383 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -9.525 1.387 -1.800 1.00 0.00 H new ATOM 715 N GLN A 46 -12.387 4.032 -2.109 1.00 0.00 N ATOM 716 CA GLN A 46 -12.402 5.480 -2.351 1.00 0.00 C ATOM 717 C GLN A 46 -13.282 6.237 -1.383 1.00 0.00 C ATOM 718 O GLN A 46 -14.379 5.816 -0.991 1.00 0.00 O ATOM 719 CB GLN A 46 -12.877 5.710 -3.805 1.00 0.00 C ATOM 720 CG GLN A 46 -13.513 7.103 -4.122 1.00 0.00 C ATOM 721 CD GLN A 46 -14.784 7.168 -4.979 1.00 0.00 C ATOM 722 OE1 GLN A 46 -15.891 7.190 -4.465 1.00 0.00 O ATOM 723 NE2 GLN A 46 -14.691 7.193 -6.284 1.00 0.00 N ATOM 0 H GLN A 46 -13.156 3.685 -1.536 1.00 0.00 H new ATOM 0 HA GLN A 46 -11.394 5.866 -2.197 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -12.024 5.566 -4.469 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -13.607 4.938 -4.051 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -13.734 7.587 -3.171 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -12.752 7.706 -4.617 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -13.774 7.175 -6.730 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -15.535 7.230 -6.855 1.00 0.00 H new ATOM 732 N PHE A 47 -12.812 7.412 -0.993 1.00 0.00 N ATOM 733 CA PHE A 47 -13.575 8.365 -0.193 1.00 0.00 C ATOM 734 C PHE A 47 -13.608 9.716 -0.873 1.00 0.00 C ATOM 735 O PHE A 47 -12.556 10.342 -1.110 1.00 0.00 O ATOM 736 CB PHE A 47 -12.934 8.535 1.219 1.00 0.00 C ATOM 737 CG PHE A 47 -13.751 8.030 2.421 1.00 0.00 C ATOM 738 CD1 PHE A 47 -14.878 8.748 2.837 1.00 0.00 C ATOM 739 CD2 PHE A 47 -13.349 6.903 3.140 1.00 0.00 C ATOM 740 CE1 PHE A 47 -15.584 8.353 3.968 1.00 0.00 C ATOM 741 CE2 PHE A 47 -14.061 6.503 4.269 1.00 0.00 C ATOM 742 CZ PHE A 47 -15.172 7.233 4.687 1.00 0.00 C ATOM 0 H PHE A 47 -11.874 7.738 -1.226 1.00 0.00 H new ATOM 0 HA PHE A 47 -14.588 7.977 -0.090 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -11.974 8.018 1.220 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -12.726 9.594 1.372 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -15.201 9.613 2.277 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -12.484 6.340 2.821 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -16.450 8.913 4.288 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -13.752 5.627 4.820 1.00 0.00 H new ATOM 0 HZ PHE A 47 -15.715 6.930 5.570 1.00 0.00 H new ATOM 752 N ARG A 48 -14.788 10.209 -1.195 1.00 0.00 N ATOM 753 CA ARG A 48 -14.923 11.477 -1.912 1.00 0.00 C ATOM 754 C ARG A 48 -16.052 12.306 -1.346 1.00 0.00 C ATOM 755 O ARG A 48 -17.232 12.115 -1.680 1.00 0.00 O ATOM 756 CB ARG A 48 -15.140 11.190 -3.423 1.00 0.00 C ATOM 757 CG ARG A 48 -15.301 12.453 -4.310 1.00 0.00 C ATOM 758 CD ARG A 48 -16.469 12.338 -5.298 1.00 0.00 C ATOM 759 NE ARG A 48 -15.970 11.692 -6.539 1.00 0.00 N ATOM 760 CZ ARG A 48 -16.728 11.175 -7.496 1.00 0.00 C ATOM 761 NH1 ARG A 48 -18.028 11.190 -7.491 1.00 0.00 N ATOM 762 NH2 ARG A 48 -16.131 10.624 -8.493 1.00 0.00 N ATOM 0 H ARG A 48 -15.674 9.754 -0.974 1.00 0.00 H new ATOM 0 HA ARG A 48 -14.008 12.056 -1.788 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -14.295 10.609 -3.793 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -16.028 10.568 -3.536 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -15.455 13.323 -3.672 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -14.378 12.623 -4.864 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -17.277 11.750 -4.863 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -16.876 13.324 -5.521 1.00 0.00 H new ATOM 0 HE ARG A 48 -14.959 11.642 -6.666 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -18.530 11.620 -6.714 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -18.546 10.772 -8.264 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -15.112 10.597 -8.526 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -16.677 10.214 -9.251 1.00 0.00 H new ATOM 776 N LYS A 49 -15.718 13.226 -0.460 1.00 0.00 N ATOM 777 CA LYS A 49 -16.723 14.049 0.209 1.00 0.00 C ATOM 778 C LYS A 49 -17.552 13.203 1.148 1.00 0.00 C ATOM 779 O LYS A 49 -17.686 11.981 1.003 1.00 0.00 O ATOM 780 CB LYS A 49 -17.615 14.755 -0.849 1.00 0.00 C ATOM 781 CG LYS A 49 -18.323 16.025 -0.310 1.00 0.00 C ATOM 782 CD LYS A 49 -17.388 17.105 0.243 1.00 0.00 C ATOM 783 CE LYS A 49 -16.184 17.263 -0.695 1.00 0.00 C ATOM 784 NZ LYS A 49 -15.554 18.576 -0.465 1.00 0.00 N ATOM 0 H LYS A 49 -14.757 13.427 -0.183 1.00 0.00 H new ATOM 0 HA LYS A 49 -16.225 14.815 0.802 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -17.001 15.027 -1.707 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -18.368 14.052 -1.206 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -18.919 16.459 -1.113 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -19.017 15.729 0.477 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -17.920 18.052 0.333 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -17.051 16.833 1.243 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -15.463 16.465 -0.517 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -16.504 17.178 -1.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -14.738 18.685 -1.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -16.244 19.330 -0.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -15.235 18.640 0.523 1.00 0.00 H new ATOM 798 N GLU A 50 -18.142 13.868 2.132 1.00 0.00 N ATOM 799 CA GLU A 50 -19.088 13.232 3.043 1.00 0.00 C ATOM 800 C GLU A 50 -20.500 13.255 2.502 1.00 0.00 C ATOM 801 O GLU A 50 -21.475 13.432 3.263 1.00 0.00 O ATOM 802 CB GLU A 50 -19.005 13.959 4.416 1.00 0.00 C ATOM 803 CG GLU A 50 -19.567 15.417 4.494 1.00 0.00 C ATOM 804 CD GLU A 50 -20.879 15.650 5.247 1.00 0.00 C ATOM 805 OE1 GLU A 50 -20.769 15.512 6.597 1.00 0.00 O ATOM 806 OE2 GLU A 50 -21.928 15.934 4.684 1.00 0.00 O ATOM 0 H GLU A 50 -17.981 14.857 2.322 1.00 0.00 H new ATOM 0 HA GLU A 50 -18.822 12.181 3.157 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -19.536 13.354 5.150 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -17.959 13.985 4.721 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -18.803 16.043 4.955 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -19.701 15.777 3.474 1.00 0.00 H new ATOM 813 N LYS A 51 -20.672 13.065 1.210 1.00 0.00 N ATOM 814 CA LYS A 51 -22.000 12.915 0.584 1.00 0.00 C ATOM 815 C LYS A 51 -22.211 11.583 -0.135 1.00 0.00 C ATOM 816 O LYS A 51 -23.314 11.233 -0.568 1.00 0.00 O ATOM 817 CB LYS A 51 -22.178 14.067 -0.442 1.00 0.00 C ATOM 818 CG LYS A 51 -23.592 14.695 -0.450 1.00 0.00 C ATOM 819 CD LYS A 51 -24.032 15.314 0.879 1.00 0.00 C ATOM 820 CE LYS A 51 -24.375 16.794 0.660 1.00 0.00 C ATOM 821 NZ LYS A 51 -25.771 16.910 0.200 1.00 0.00 N ATOM 0 H LYS A 51 -19.899 13.008 0.547 1.00 0.00 H new ATOM 0 HA LYS A 51 -22.736 12.947 1.388 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -21.447 14.847 -0.227 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -21.955 13.688 -1.439 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -23.627 15.464 -1.221 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -24.313 13.927 -0.732 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -24.899 14.782 1.272 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -23.237 15.219 1.619 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -24.238 17.351 1.587 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -23.700 17.230 -0.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -26.005 17.912 0.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -25.886 16.391 -0.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -26.408 16.509 0.918 1.00 0.00 H new ATOM 835 N GLU A 52 -21.124 10.840 -0.229 1.00 0.00 N ATOM 836 CA GLU A 52 -21.097 9.586 -0.972 1.00 0.00 C ATOM 837 C GLU A 52 -19.707 8.994 -0.988 1.00 0.00 C ATOM 838 O GLU A 52 -18.775 9.533 -1.602 1.00 0.00 O ATOM 839 CB GLU A 52 -21.610 9.857 -2.415 1.00 0.00 C ATOM 840 CG GLU A 52 -21.889 8.613 -3.322 1.00 0.00 C ATOM 841 CD GLU A 52 -22.637 8.827 -4.640 1.00 0.00 C ATOM 842 OE1 GLU A 52 -23.477 9.703 -4.795 1.00 0.00 O ATOM 843 OE2 GLU A 52 -22.280 7.952 -5.621 1.00 0.00 O ATOM 0 H GLU A 52 -20.234 11.085 0.205 1.00 0.00 H new ATOM 0 HA GLU A 52 -21.745 8.857 -0.486 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -22.531 10.435 -2.343 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -20.878 10.486 -2.921 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -20.930 8.151 -3.556 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -22.455 7.892 -2.732 1.00 0.00 H new ATOM 850 N THR A 53 -19.549 7.861 -0.329 1.00 0.00 N ATOM 851 CA THR A 53 -18.287 7.125 -0.333 1.00 0.00 C ATOM 852 C THR A 53 -18.528 5.639 -0.210 1.00 0.00 C ATOM 853 O THR A 53 -19.643 5.182 0.094 1.00 0.00 O ATOM 854 CB THR A 53 -17.351 7.631 0.815 1.00 0.00 C ATOM 855 OG1 THR A 53 -17.864 7.243 2.083 1.00 0.00 O ATOM 856 CG2 THR A 53 -17.166 9.160 0.924 1.00 0.00 C ATOM 0 H THR A 53 -20.285 7.422 0.224 1.00 0.00 H new ATOM 0 HA THR A 53 -17.791 7.308 -1.286 1.00 0.00 H new ATOM 0 HB THR A 53 -16.393 7.181 0.554 1.00 0.00 H new ATOM 0 HG1 THR A 53 -17.244 7.527 2.787 1.00 0.00 H new ATOM 0 HG21 THR A 53 -16.498 9.387 1.755 1.00 0.00 H new ATOM 0 HG22 THR A 53 -16.736 9.541 -0.002 1.00 0.00 H new ATOM 0 HG23 THR A 53 -18.133 9.632 1.097 1.00 0.00 H new ATOM 864 N PHE A 54 -17.492 4.848 -0.426 1.00 0.00 N ATOM 865 CA PHE A 54 -17.633 3.394 -0.463 1.00 0.00 C ATOM 866 C PHE A 54 -16.307 2.707 -0.240 1.00 0.00 C ATOM 867 O PHE A 54 -15.272 3.061 -0.826 1.00 0.00 O ATOM 868 CB PHE A 54 -18.204 2.949 -1.843 1.00 0.00 C ATOM 869 CG PHE A 54 -17.176 2.555 -2.915 1.00 0.00 C ATOM 870 CD1 PHE A 54 -16.589 3.523 -3.733 1.00 0.00 C ATOM 871 CD2 PHE A 54 -16.862 1.205 -3.109 1.00 0.00 C ATOM 872 CE1 PHE A 54 -15.686 3.146 -4.723 1.00 0.00 C ATOM 873 CE2 PHE A 54 -15.963 0.830 -4.101 1.00 0.00 C ATOM 874 CZ PHE A 54 -15.370 1.801 -4.905 1.00 0.00 C ATOM 0 H PHE A 54 -16.541 5.184 -0.579 1.00 0.00 H new ATOM 0 HA PHE A 54 -18.316 3.108 0.337 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -18.869 2.101 -1.680 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -18.814 3.761 -2.238 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -16.836 4.566 -3.597 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -17.320 0.451 -2.485 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -15.230 3.897 -5.351 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -15.725 -0.213 -4.248 1.00 0.00 H new ATOM 0 HZ PHE A 54 -14.665 1.511 -5.670 1.00 0.00 H new ATOM 884 N LYS A 55 -16.308 1.716 0.636 1.00 0.00 N ATOM 885 CA LYS A 55 -15.088 0.996 0.990 1.00 0.00 C ATOM 886 C LYS A 55 -15.392 -0.230 1.818 1.00 0.00 C ATOM 887 O LYS A 55 -14.618 -0.609 2.718 1.00 0.00 O ATOM 888 CB LYS A 55 -14.131 1.954 1.755 1.00 0.00 C ATOM 889 CG LYS A 55 -14.742 2.507 3.067 1.00 0.00 C ATOM 890 CD LYS A 55 -13.726 2.827 4.167 1.00 0.00 C ATOM 891 CE LYS A 55 -13.482 1.569 5.011 1.00 0.00 C ATOM 892 NZ LYS A 55 -12.388 1.825 5.966 1.00 0.00 N ATOM 0 H LYS A 55 -17.144 1.387 1.120 1.00 0.00 H new ATOM 0 HA LYS A 55 -14.604 0.655 0.075 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -13.207 1.425 1.987 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -13.866 2.788 1.105 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -15.303 3.413 2.836 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -15.456 1.780 3.453 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -12.790 3.170 3.726 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -14.097 3.636 4.797 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -14.391 1.295 5.547 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -13.227 0.728 4.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -12.221 0.973 6.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -11.521 2.067 5.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -12.649 2.616 6.589 1.00 0.00 H new ATOM 906 N GLU A 56 -16.520 -0.866 1.566 1.00 0.00 N ATOM 907 CA GLU A 56 -16.982 -1.981 2.390 1.00 0.00 C ATOM 908 C GLU A 56 -16.466 -3.302 1.869 1.00 0.00 C ATOM 909 O GLU A 56 -17.157 -4.035 1.146 1.00 0.00 O ATOM 910 CB GLU A 56 -18.536 -1.957 2.420 1.00 0.00 C ATOM 911 CG GLU A 56 -19.216 -0.957 3.412 1.00 0.00 C ATOM 912 CD GLU A 56 -20.583 -0.377 3.040 1.00 0.00 C ATOM 913 OE1 GLU A 56 -20.956 -0.632 1.755 1.00 0.00 O ATOM 914 OE2 GLU A 56 -21.274 0.257 3.827 1.00 0.00 O ATOM 0 H GLU A 56 -17.142 -0.632 0.792 1.00 0.00 H new ATOM 0 HA GLU A 56 -16.593 -1.872 3.402 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -18.890 -1.729 1.415 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -18.885 -2.961 2.660 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -19.320 -1.462 4.373 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -18.531 -0.122 3.563 1.00 0.00 H new ATOM 921 N LYS A 57 -15.245 -3.640 2.241 1.00 0.00 N ATOM 922 CA LYS A 57 -14.668 -4.944 1.925 1.00 0.00 C ATOM 923 C LYS A 57 -13.261 -5.055 2.464 1.00 0.00 C ATOM 924 O LYS A 57 -12.423 -4.151 2.248 1.00 0.00 O ATOM 925 CB LYS A 57 -14.690 -5.159 0.386 1.00 0.00 C ATOM 926 CG LYS A 57 -15.721 -6.219 -0.077 1.00 0.00 C ATOM 927 CD LYS A 57 -15.231 -7.151 -1.189 1.00 0.00 C ATOM 928 CE LYS A 57 -15.127 -6.364 -2.502 1.00 0.00 C ATOM 929 NZ LYS A 57 -15.159 -7.301 -3.639 1.00 0.00 N ATOM 0 H LYS A 57 -14.624 -3.026 2.768 1.00 0.00 H new ATOM 0 HA LYS A 57 -15.264 -5.722 2.402 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -14.913 -4.210 -0.102 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -13.696 -5.462 0.056 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -16.010 -6.823 0.783 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -16.618 -5.706 -0.422 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -14.260 -7.571 -0.926 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -15.919 -7.988 -1.307 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -15.950 -5.654 -2.579 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -14.204 -5.785 -2.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -15.089 -6.769 -4.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -14.359 -7.962 -3.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -16.052 -7.834 -3.624 1.00 0.00 H new ATOM 943 N ASP A 58 -12.955 -6.119 3.182 1.00 0.00 N ATOM 944 CA ASP A 58 -11.592 -6.334 3.680 1.00 0.00 C ATOM 945 C ASP A 58 -10.666 -6.787 2.569 1.00 0.00 C ATOM 946 O ASP A 58 -9.473 -6.459 2.521 1.00 0.00 O ATOM 947 CB ASP A 58 -11.577 -7.331 4.867 1.00 0.00 C ATOM 948 CG ASP A 58 -12.644 -7.152 5.954 1.00 0.00 C ATOM 949 OD1 ASP A 58 -12.294 -6.224 6.895 1.00 0.00 O ATOM 950 OD2 ASP A 58 -13.685 -7.794 5.980 1.00 0.00 O ATOM 0 H ASP A 58 -13.620 -6.849 3.437 1.00 0.00 H new ATOM 0 HA ASP A 58 -11.221 -5.378 4.049 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -11.675 -8.338 4.462 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -10.598 -7.273 5.343 1.00 0.00 H new ATOM 955 N THR A 59 -11.228 -7.571 1.660 1.00 0.00 N ATOM 956 CA THR A 59 -10.509 -7.980 0.461 1.00 0.00 C ATOM 957 C THR A 59 -9.936 -6.767 -0.251 1.00 0.00 C ATOM 958 O THR A 59 -8.983 -6.872 -1.034 1.00 0.00 O ATOM 959 CB THR A 59 -11.434 -8.742 -0.557 1.00 0.00 C ATOM 960 OG1 THR A 59 -11.909 -9.966 -0.017 1.00 0.00 O ATOM 961 CG2 THR A 59 -10.783 -9.147 -1.899 1.00 0.00 C ATOM 0 H THR A 59 -12.178 -7.936 1.729 1.00 0.00 H new ATOM 0 HA THR A 59 -9.715 -8.650 0.791 1.00 0.00 H new ATOM 0 HB THR A 59 -12.214 -8.003 -0.741 1.00 0.00 H new ATOM 0 HG1 THR A 59 -12.482 -10.413 -0.675 1.00 0.00 H new ATOM 0 HG21 THR A 59 -11.516 -9.665 -2.517 1.00 0.00 H new ATOM 0 HG22 THR A 59 -10.436 -8.254 -2.419 1.00 0.00 H new ATOM 0 HG23 THR A 59 -9.938 -9.808 -1.708 1.00 0.00 H new ATOM 969 N TYR A 60 -10.570 -5.626 -0.052 1.00 0.00 N ATOM 970 CA TYR A 60 -10.069 -4.358 -0.581 1.00 0.00 C ATOM 971 C TYR A 60 -10.492 -3.202 0.298 1.00 0.00 C ATOM 972 O TYR A 60 -11.615 -2.662 0.110 1.00 0.00 O ATOM 973 CB TYR A 60 -10.637 -4.094 -2.006 1.00 0.00 C ATOM 974 CG TYR A 60 -9.845 -4.677 -3.181 1.00 0.00 C ATOM 975 CD1 TYR A 60 -8.462 -4.865 -3.081 1.00 0.00 C ATOM 976 CD2 TYR A 60 -10.504 -5.017 -4.367 1.00 0.00 C ATOM 977 CE1 TYR A 60 -7.754 -5.413 -4.147 1.00 0.00 C ATOM 978 CE2 TYR A 60 -9.793 -5.566 -5.430 1.00 0.00 C ATOM 979 CZ TYR A 60 -8.419 -5.764 -5.318 1.00 0.00 C ATOM 980 OH TYR A 60 -7.720 -6.299 -6.363 1.00 0.00 O ATOM 0 H TYR A 60 -11.439 -5.545 0.475 1.00 0.00 H new ATOM 0 HA TYR A 60 -8.982 -4.432 -0.611 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -11.651 -4.493 -2.048 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -10.712 -3.016 -2.148 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -7.943 -4.585 -2.176 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -11.568 -4.853 -4.458 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -6.688 -5.566 -4.065 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -10.306 -5.838 -6.341 1.00 0.00 H new ATOM 0 HH TYR A 60 -8.333 -6.489 -7.104 1.00 0.00 H new ATOM 990 N LYS A 61 -9.689 -2.768 1.250 1.00 0.00 N ATOM 991 CA LYS A 61 -10.120 -1.748 2.216 1.00 0.00 C ATOM 992 C LYS A 61 -9.087 -0.665 2.442 1.00 0.00 C ATOM 993 O LYS A 61 -7.872 -0.884 2.362 1.00 0.00 O ATOM 994 CB LYS A 61 -10.464 -2.456 3.557 1.00 0.00 C ATOM 995 CG LYS A 61 -11.545 -1.740 4.402 1.00 0.00 C ATOM 996 CD LYS A 61 -11.776 -2.337 5.794 1.00 0.00 C ATOM 997 CE LYS A 61 -10.506 -2.165 6.639 1.00 0.00 C ATOM 998 NZ LYS A 61 -10.350 -3.326 7.534 1.00 0.00 N ATOM 0 H LYS A 61 -8.733 -3.099 1.384 1.00 0.00 H new ATOM 0 HA LYS A 61 -10.995 -1.245 1.805 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -10.802 -3.470 3.342 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -9.554 -2.542 4.151 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -11.263 -0.693 4.514 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -12.487 -1.760 3.853 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -12.618 -1.843 6.279 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -12.031 -3.394 5.711 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -9.635 -2.073 5.991 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -10.567 -1.247 7.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -9.490 -3.210 8.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -11.177 -3.394 8.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -10.273 -4.194 6.966 1.00 0.00 H new ATOM 1012 N LEU A 62 -9.558 0.530 2.763 1.00 0.00 N ATOM 1013 CA LEU A 62 -8.720 1.710 2.954 1.00 0.00 C ATOM 1014 C LEU A 62 -8.238 1.813 4.382 1.00 0.00 C ATOM 1015 O LEU A 62 -8.733 1.108 5.284 1.00 0.00 O ATOM 1016 CB LEU A 62 -9.504 2.997 2.554 1.00 0.00 C ATOM 1017 CG LEU A 62 -9.321 3.563 1.121 1.00 0.00 C ATOM 1018 CD1 LEU A 62 -8.610 2.533 0.232 1.00 0.00 C ATOM 1019 CD2 LEU A 62 -10.653 3.978 0.473 1.00 0.00 C ATOM 0 H LEU A 62 -10.552 0.713 2.901 1.00 0.00 H new ATOM 0 HA LEU A 62 -7.846 1.612 2.310 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -10.566 2.796 2.697 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -9.231 3.783 3.258 1.00 0.00 H new ATOM 0 HG LEU A 62 -8.710 4.461 1.211 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -8.487 2.941 -0.771 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -7.631 2.303 0.653 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -9.206 1.622 0.182 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -10.465 4.367 -0.528 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -11.312 3.112 0.408 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -11.127 4.750 1.079 1.00 0.00 H new ATOM 1031 N PHE A 63 -7.289 2.693 4.647 1.00 0.00 N ATOM 1032 CA PHE A 63 -6.864 2.997 6.015 1.00 0.00 C ATOM 1033 C PHE A 63 -6.722 4.489 6.221 1.00 0.00 C ATOM 1034 O PHE A 63 -6.870 5.298 5.294 1.00 0.00 O ATOM 1035 CB PHE A 63 -5.495 2.324 6.338 1.00 0.00 C ATOM 1036 CG PHE A 63 -5.507 0.793 6.475 1.00 0.00 C ATOM 1037 CD1 PHE A 63 -5.487 -0.019 5.338 1.00 0.00 C ATOM 1038 CD2 PHE A 63 -5.544 0.207 7.744 1.00 0.00 C ATOM 1039 CE1 PHE A 63 -5.517 -1.404 5.474 1.00 0.00 C ATOM 1040 CE2 PHE A 63 -5.575 -1.178 7.876 1.00 0.00 C ATOM 1041 CZ PHE A 63 -5.572 -1.983 6.740 1.00 0.00 C ATOM 0 H PHE A 63 -6.789 3.218 3.929 1.00 0.00 H new ATOM 0 HA PHE A 63 -7.633 2.606 6.681 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -4.788 2.592 5.553 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -5.116 2.748 7.268 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -5.448 0.427 4.355 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -5.549 0.832 8.625 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -5.498 -2.032 4.595 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -5.601 -1.628 8.858 1.00 0.00 H new ATOM 0 HZ PHE A 63 -5.612 -3.058 6.840 1.00 0.00 H new ATOM 1051 N LYS A 64 -6.408 4.878 7.444 1.00 0.00 N ATOM 1052 CA LYS A 64 -6.191 6.282 7.783 1.00 0.00 C ATOM 1053 C LYS A 64 -4.949 6.816 7.109 1.00 0.00 C ATOM 1054 O LYS A 64 -4.886 7.980 6.682 1.00 0.00 O ATOM 1055 CB LYS A 64 -6.093 6.442 9.326 1.00 0.00 C ATOM 1056 CG LYS A 64 -7.349 7.083 9.968 1.00 0.00 C ATOM 1057 CD LYS A 64 -7.278 8.601 10.160 1.00 0.00 C ATOM 1058 CE LYS A 64 -6.911 8.914 11.617 1.00 0.00 C ATOM 1059 NZ LYS A 64 -8.142 9.114 12.402 1.00 0.00 N ATOM 0 H LYS A 64 -6.296 4.237 8.230 1.00 0.00 H new ATOM 0 HA LYS A 64 -7.039 6.863 7.421 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -5.927 5.462 9.774 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -5.222 7.053 9.564 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -8.214 6.851 9.347 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -7.520 6.617 10.939 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -6.536 9.029 9.486 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -8.236 9.056 9.909 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -6.326 8.097 12.039 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -6.289 9.808 11.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -7.893 9.326 13.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -8.683 9.908 12.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -8.719 8.250 12.368 1.00 0.00 H new ATOM 1073 N ASN A 65 -3.925 5.987 7.021 1.00 0.00 N ATOM 1074 CA ASN A 65 -2.631 6.413 6.497 1.00 0.00 C ATOM 1075 C ASN A 65 -2.562 6.303 4.990 1.00 0.00 C ATOM 1076 O ASN A 65 -1.471 6.476 4.398 1.00 0.00 O ATOM 1077 CB ASN A 65 -1.507 5.554 7.153 1.00 0.00 C ATOM 1078 CG ASN A 65 -1.718 4.037 7.163 1.00 0.00 C ATOM 1079 OD1 ASN A 65 -2.557 3.491 6.461 1.00 0.00 O ATOM 1080 ND2 ASN A 65 -0.955 3.279 7.977 1.00 0.00 N ATOM 0 H ASN A 65 -3.961 5.008 7.306 1.00 0.00 H new ATOM 0 HA ASN A 65 -2.493 7.465 6.746 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -0.572 5.764 6.634 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -1.382 5.887 8.183 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -0.250 3.717 8.570 1.00 0.00 H new ATOM 1086 N GLY A 66 -3.657 6.007 4.318 1.00 0.00 N ATOM 1087 CA GLY A 66 -3.659 5.884 2.858 1.00 0.00 C ATOM 1088 C GLY A 66 -3.189 4.528 2.390 1.00 0.00 C ATOM 1089 O GLY A 66 -2.725 4.373 1.240 1.00 0.00 O ATOM 0 H GLY A 66 -4.565 5.845 4.754 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -4.666 6.065 2.483 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -3.017 6.654 2.431 1.00 0.00 H new ATOM 1093 N THR A 67 -3.269 3.516 3.233 1.00 0.00 N ATOM 1094 CA THR A 67 -2.965 2.145 2.823 1.00 0.00 C ATOM 1095 C THR A 67 -4.205 1.447 2.318 1.00 0.00 C ATOM 1096 O THR A 67 -5.329 1.703 2.790 1.00 0.00 O ATOM 1097 CB THR A 67 -2.327 1.347 4.010 1.00 0.00 C ATOM 1098 OG1 THR A 67 -0.914 1.510 4.017 1.00 0.00 O ATOM 1099 CG2 THR A 67 -2.539 -0.182 3.999 1.00 0.00 C ATOM 0 H THR A 67 -3.542 3.611 4.211 1.00 0.00 H new ATOM 0 HA THR A 67 -2.244 2.185 2.007 1.00 0.00 H new ATOM 0 HB THR A 67 -2.839 1.765 4.877 1.00 0.00 H new ATOM 0 HG1 THR A 67 -0.530 1.007 4.765 1.00 0.00 H new ATOM 0 HG21 THR A 67 -2.052 -0.623 4.869 1.00 0.00 H new ATOM 0 HG22 THR A 67 -3.606 -0.402 4.030 1.00 0.00 H new ATOM 0 HG23 THR A 67 -2.108 -0.602 3.090 1.00 0.00 H new ATOM 1107 N LEU A 68 -4.047 0.573 1.341 1.00 0.00 N ATOM 1108 CA LEU A 68 -5.147 -0.262 0.863 1.00 0.00 C ATOM 1109 C LEU A 68 -4.922 -1.722 1.181 1.00 0.00 C ATOM 1110 O LEU A 68 -4.175 -2.426 0.476 1.00 0.00 O ATOM 1111 CB LEU A 68 -5.374 -0.083 -0.672 1.00 0.00 C ATOM 1112 CG LEU A 68 -6.517 -0.935 -1.301 1.00 0.00 C ATOM 1113 CD1 LEU A 68 -7.872 -0.683 -0.609 1.00 0.00 C ATOM 1114 CD2 LEU A 68 -6.612 -0.670 -2.809 1.00 0.00 C ATOM 0 H LEU A 68 -3.163 0.418 0.856 1.00 0.00 H new ATOM 0 HA LEU A 68 -6.042 0.070 1.390 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.583 0.969 -0.867 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.444 -0.324 -1.187 1.00 0.00 H new ATOM 0 HG LEU A 68 -6.271 -1.985 -1.146 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -8.640 -1.297 -1.079 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -7.795 -0.943 0.447 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -8.139 0.369 -0.705 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -7.415 -1.272 -3.234 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -6.821 0.386 -2.980 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -5.668 -0.935 -3.285 1.00 0.00 H new ATOM 1126 N LYS A 69 -5.588 -2.234 2.199 1.00 0.00 N ATOM 1127 CA LYS A 69 -5.432 -3.632 2.597 1.00 0.00 C ATOM 1128 C LYS A 69 -6.224 -4.551 1.695 1.00 0.00 C ATOM 1129 O LYS A 69 -7.456 -4.465 1.595 1.00 0.00 O ATOM 1130 CB LYS A 69 -5.865 -3.805 4.079 1.00 0.00 C ATOM 1131 CG LYS A 69 -5.636 -5.227 4.648 1.00 0.00 C ATOM 1132 CD LYS A 69 -6.729 -5.717 5.603 1.00 0.00 C ATOM 1133 CE LYS A 69 -6.535 -7.215 5.873 1.00 0.00 C ATOM 1134 NZ LYS A 69 -5.678 -7.391 7.059 1.00 0.00 N ATOM 0 H LYS A 69 -6.246 -1.705 2.771 1.00 0.00 H new ATOM 0 HA LYS A 69 -4.382 -3.906 2.499 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -5.317 -3.089 4.691 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -6.923 -3.557 4.168 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -5.557 -5.928 3.817 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -4.680 -5.245 5.172 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -6.687 -5.159 6.538 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -7.713 -5.539 5.169 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -7.500 -7.695 6.034 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -6.080 -7.696 5.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -5.018 -8.178 6.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -5.140 -6.518 7.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -6.271 -7.601 7.887 1.00 0.00 H new ATOM 1148 N ILE A 70 -5.526 -5.461 1.043 1.00 0.00 N ATOM 1149 CA ILE A 70 -6.160 -6.431 0.149 1.00 0.00 C ATOM 1150 C ILE A 70 -6.143 -7.807 0.773 1.00 0.00 C ATOM 1151 O ILE A 70 -5.096 -8.459 0.898 1.00 0.00 O ATOM 1152 CB ILE A 70 -5.512 -6.426 -1.296 1.00 0.00 C ATOM 1153 CG1 ILE A 70 -5.215 -5.006 -1.876 1.00 0.00 C ATOM 1154 CG2 ILE A 70 -6.367 -7.206 -2.343 1.00 0.00 C ATOM 1155 CD1 ILE A 70 -4.210 -4.951 -3.045 1.00 0.00 C ATOM 0 H ILE A 70 -4.513 -5.555 1.112 1.00 0.00 H new ATOM 0 HA ILE A 70 -7.200 -6.133 0.013 1.00 0.00 H new ATOM 0 HB ILE A 70 -4.559 -6.930 -1.135 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -6.155 -4.568 -2.210 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -4.839 -4.377 -1.069 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -5.875 -7.169 -3.315 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -6.470 -8.244 -2.028 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -7.354 -6.750 -2.419 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -4.082 -3.917 -3.366 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -3.250 -5.352 -2.719 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -4.587 -5.545 -3.877 1.00 0.00 H new ATOM 1167 N LYS A 71 -7.311 -8.263 1.200 1.00 0.00 N ATOM 1168 CA LYS A 71 -7.397 -9.508 1.965 1.00 0.00 C ATOM 1169 C LYS A 71 -7.784 -10.697 1.106 1.00 0.00 C ATOM 1170 O LYS A 71 -8.585 -10.591 0.169 1.00 0.00 O ATOM 1171 CB LYS A 71 -8.409 -9.321 3.128 1.00 0.00 C ATOM 1172 CG LYS A 71 -8.754 -10.636 3.870 1.00 0.00 C ATOM 1173 CD LYS A 71 -8.210 -10.738 5.298 1.00 0.00 C ATOM 1174 CE LYS A 71 -9.246 -10.172 6.279 1.00 0.00 C ATOM 1175 NZ LYS A 71 -9.203 -10.941 7.535 1.00 0.00 N ATOM 0 H LYS A 71 -8.205 -7.800 1.035 1.00 0.00 H new ATOM 0 HA LYS A 71 -6.406 -9.727 2.362 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -8.000 -8.607 3.843 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -9.327 -8.886 2.733 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -9.838 -10.743 3.902 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -8.368 -11.474 3.290 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -7.991 -11.777 5.542 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -7.273 -10.187 5.383 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -9.039 -9.120 6.477 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -10.243 -10.224 5.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -9.905 -10.558 8.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -9.420 -11.939 7.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -8.254 -10.869 7.954 1.00 0.00 H new ATOM 1189 N HIS A 72 -7.235 -11.847 1.461 1.00 0.00 N ATOM 1190 CA HIS A 72 -7.523 -13.107 0.782 1.00 0.00 C ATOM 1191 C HIS A 72 -7.138 -13.063 -0.677 1.00 0.00 C ATOM 1192 O HIS A 72 -7.779 -12.407 -1.518 1.00 0.00 O ATOM 1193 CB HIS A 72 -9.038 -13.345 0.923 1.00 0.00 C ATOM 1194 CG HIS A 72 -9.429 -14.734 0.507 1.00 0.00 C ATOM 1195 ND1 HIS A 72 -10.524 -15.072 -0.284 1.00 0.00 N ATOM 1196 CD2 HIS A 72 -8.704 -15.858 0.878 1.00 0.00 C ATOM 1197 CE1 HIS A 72 -10.367 -16.408 -0.334 1.00 0.00 C ATOM 1198 NE2 HIS A 72 -9.314 -16.956 0.330 1.00 0.00 N ATOM 0 H HIS A 72 -6.573 -11.937 2.232 1.00 0.00 H new ATOM 0 HA HIS A 72 -6.942 -13.913 1.230 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -9.337 -13.179 1.958 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -9.577 -12.619 0.315 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -7.815 -15.866 1.491 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -11.058 -17.028 -0.886 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -9.046 -17.937 0.402 1.00 0.00 H new ATOM 1207 N LEU A 73 -6.098 -13.795 -1.031 1.00 0.00 N ATOM 1208 CA LEU A 73 -5.574 -13.783 -2.393 1.00 0.00 C ATOM 1209 C LEU A 73 -5.143 -15.170 -2.854 1.00 0.00 C ATOM 1210 O LEU A 73 -5.347 -16.203 -2.207 1.00 0.00 O ATOM 1211 CB LEU A 73 -4.380 -12.793 -2.490 1.00 0.00 C ATOM 1212 CG LEU A 73 -4.050 -11.852 -1.302 1.00 0.00 C ATOM 1213 CD1 LEU A 73 -2.549 -11.516 -1.214 1.00 0.00 C ATOM 1214 CD2 LEU A 73 -4.861 -10.552 -1.389 1.00 0.00 C ATOM 0 H LEU A 73 -5.594 -14.411 -0.393 1.00 0.00 H new ATOM 0 HA LEU A 73 -6.378 -13.456 -3.053 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -3.486 -13.383 -2.693 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -4.552 -12.164 -3.363 1.00 0.00 H new ATOM 0 HG LEU A 73 -4.325 -12.394 -0.397 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -2.373 -10.855 -0.366 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -1.978 -12.435 -1.082 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -2.233 -11.020 -2.132 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -4.611 -9.910 -0.544 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -4.623 -10.037 -2.320 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -5.926 -10.785 -1.365 1.00 0.00 H new ATOM 1226 N LYS A 74 -4.594 -15.187 -4.060 1.00 0.00 N ATOM 1227 CA LYS A 74 -3.966 -16.360 -4.659 1.00 0.00 C ATOM 1228 C LYS A 74 -2.917 -15.924 -5.666 1.00 0.00 C ATOM 1229 O LYS A 74 -2.228 -14.907 -5.463 1.00 0.00 O ATOM 1230 CB LYS A 74 -5.017 -17.287 -5.340 1.00 0.00 C ATOM 1231 CG LYS A 74 -6.468 -17.014 -4.873 1.00 0.00 C ATOM 1232 CD LYS A 74 -7.551 -17.756 -5.663 1.00 0.00 C ATOM 1233 CE LYS A 74 -8.904 -17.072 -5.427 1.00 0.00 C ATOM 1234 NZ LYS A 74 -9.953 -18.098 -5.287 1.00 0.00 N ATOM 0 H LYS A 74 -4.571 -14.366 -4.665 1.00 0.00 H new ATOM 0 HA LYS A 74 -3.489 -16.932 -3.863 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -4.960 -17.157 -6.421 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -4.765 -18.326 -5.130 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -6.553 -17.289 -3.822 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -6.660 -15.943 -4.939 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -7.309 -17.754 -6.726 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -7.597 -18.799 -5.349 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -8.861 -16.455 -4.529 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -9.138 -16.408 -6.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -10.871 -17.636 -5.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -9.999 -18.668 -6.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -9.730 -18.714 -4.480 1.00 0.00 H new ATOM 1248 N THR A 75 -2.785 -16.638 -6.762 1.00 0.00 N ATOM 1249 CA THR A 75 -2.065 -16.150 -7.931 1.00 0.00 C ATOM 1250 C THR A 75 -2.939 -15.200 -8.735 1.00 0.00 C ATOM 1251 O THR A 75 -2.488 -14.305 -9.462 1.00 0.00 O ATOM 1252 CB THR A 75 -1.577 -17.342 -8.819 1.00 0.00 C ATOM 1253 OG1 THR A 75 -0.513 -18.037 -8.182 1.00 0.00 O ATOM 1254 CG2 THR A 75 -1.020 -16.977 -10.212 1.00 0.00 C ATOM 0 H THR A 75 -3.172 -17.575 -6.874 1.00 0.00 H new ATOM 0 HA THR A 75 -1.187 -15.602 -7.590 1.00 0.00 H new ATOM 0 HB THR A 75 -2.489 -17.925 -8.949 1.00 0.00 H new ATOM 0 HG1 THR A 75 -0.221 -18.780 -8.750 1.00 0.00 H new ATOM 0 HG21 THR A 75 -0.715 -17.885 -10.731 1.00 0.00 H new ATOM 0 HG22 THR A 75 -1.792 -16.470 -10.791 1.00 0.00 H new ATOM 0 HG23 THR A 75 -0.160 -16.318 -10.098 1.00 0.00 H new ATOM 1262 N ASP A 76 -4.241 -15.385 -8.592 1.00 0.00 N ATOM 1263 CA ASP A 76 -5.267 -14.568 -9.235 1.00 0.00 C ATOM 1264 C ASP A 76 -5.554 -13.286 -8.486 1.00 0.00 C ATOM 1265 O ASP A 76 -6.200 -12.368 -9.065 1.00 0.00 O ATOM 1266 CB ASP A 76 -6.562 -15.412 -9.418 1.00 0.00 C ATOM 1267 CG ASP A 76 -7.470 -15.074 -10.608 1.00 0.00 C ATOM 1268 OD1 ASP A 76 -7.123 -15.205 -11.772 1.00 0.00 O ATOM 1269 OD2 ASP A 76 -8.709 -14.639 -10.222 1.00 0.00 O ATOM 0 H ASP A 76 -4.628 -16.128 -8.010 1.00 0.00 H new ATOM 0 HA ASP A 76 -4.886 -14.265 -10.210 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -6.271 -16.459 -9.505 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -7.154 -15.320 -8.507 1.00 0.00 H new ATOM 1274 N ASP A 77 -5.153 -13.140 -7.236 1.00 0.00 N ATOM 1275 CA ASP A 77 -5.289 -11.856 -6.539 1.00 0.00 C ATOM 1276 C ASP A 77 -4.330 -10.833 -7.116 1.00 0.00 C ATOM 1277 O ASP A 77 -4.589 -9.619 -7.080 1.00 0.00 O ATOM 1278 CB ASP A 77 -5.099 -11.979 -5.005 1.00 0.00 C ATOM 1279 CG ASP A 77 -5.271 -10.667 -4.214 1.00 0.00 C ATOM 1280 OD1 ASP A 77 -4.112 -9.948 -4.126 1.00 0.00 O ATOM 1281 OD2 ASP A 77 -6.343 -10.315 -3.745 1.00 0.00 O ATOM 0 H ASP A 77 -4.732 -13.884 -6.679 1.00 0.00 H new ATOM 0 HA ASP A 77 -6.313 -11.518 -6.700 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -5.812 -12.710 -4.624 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -4.102 -12.374 -4.809 1.00 0.00 H new ATOM 1286 N GLN A 78 -3.208 -11.295 -7.631 1.00 0.00 N ATOM 1287 CA GLN A 78 -2.196 -10.420 -8.222 1.00 0.00 C ATOM 1288 C GLN A 78 -2.813 -9.469 -9.218 1.00 0.00 C ATOM 1289 O GLN A 78 -3.572 -9.846 -10.121 1.00 0.00 O ATOM 1290 CB GLN A 78 -1.125 -11.307 -8.895 1.00 0.00 C ATOM 1291 CG GLN A 78 0.242 -10.624 -9.234 1.00 0.00 C ATOM 1292 CD GLN A 78 1.374 -11.476 -9.822 1.00 0.00 C ATOM 1293 OE1 GLN A 78 2.285 -10.966 -10.455 1.00 0.00 O ATOM 1294 NE2 GLN A 78 1.360 -12.776 -9.669 1.00 0.00 N ATOM 0 H GLN A 78 -2.965 -12.285 -7.655 1.00 0.00 H new ATOM 0 HA GLN A 78 -1.737 -9.810 -7.444 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -0.928 -12.157 -8.242 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -1.545 -11.705 -9.819 1.00 0.00 H new ATOM 0 HG2 GLN A 78 0.040 -9.815 -9.936 1.00 0.00 H new ATOM 0 HG3 GLN A 78 0.617 -10.166 -8.319 1.00 0.00 H new ATOM 0 HE21 GLN A 78 0.607 -13.220 -9.143 1.00 0.00 H new ATOM 0 HE22 GLN A 78 2.102 -13.345 -10.076 1.00 0.00 H new ATOM 1303 N ASP A 79 -2.495 -8.195 -9.061 1.00 0.00 N ATOM 1304 CA ASP A 79 -2.915 -7.147 -9.984 1.00 0.00 C ATOM 1305 C ASP A 79 -2.086 -5.900 -9.791 1.00 0.00 C ATOM 1306 O ASP A 79 -1.348 -5.743 -8.805 1.00 0.00 O ATOM 1307 CB ASP A 79 -4.431 -6.860 -9.818 1.00 0.00 C ATOM 1308 CG ASP A 79 -5.191 -6.412 -11.074 1.00 0.00 C ATOM 1309 OD1 ASP A 79 -5.434 -7.440 -11.943 1.00 0.00 O ATOM 1310 OD2 ASP A 79 -5.539 -5.256 -11.267 1.00 0.00 O ATOM 0 H ASP A 79 -1.932 -7.853 -8.282 1.00 0.00 H new ATOM 0 HA ASP A 79 -2.750 -7.491 -11.005 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -4.908 -7.763 -9.436 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -4.550 -6.090 -9.056 1.00 0.00 H new ATOM 1315 N ILE A 80 -2.209 -4.971 -10.720 1.00 0.00 N ATOM 1316 CA ILE A 80 -1.542 -3.675 -10.602 1.00 0.00 C ATOM 1317 C ILE A 80 -2.491 -2.644 -10.027 1.00 0.00 C ATOM 1318 O ILE A 80 -3.712 -2.675 -10.238 1.00 0.00 O ATOM 1319 CB ILE A 80 -0.890 -3.259 -11.986 1.00 0.00 C ATOM 1320 CG1 ILE A 80 -0.118 -4.411 -12.706 1.00 0.00 C ATOM 1321 CG2 ILE A 80 0.077 -2.041 -11.867 1.00 0.00 C ATOM 1322 CD1 ILE A 80 -0.840 -5.120 -13.869 1.00 0.00 C ATOM 0 H ILE A 80 -2.764 -5.084 -11.568 1.00 0.00 H new ATOM 0 HA ILE A 80 -0.715 -3.745 -9.895 1.00 0.00 H new ATOM 0 HB ILE A 80 -1.757 -2.989 -12.589 1.00 0.00 H new ATOM 0 HG12 ILE A 80 0.819 -4.004 -13.087 1.00 0.00 H new ATOM 0 HG13 ILE A 80 0.141 -5.162 -11.960 1.00 0.00 H new ATOM 0 HG21 ILE A 80 0.490 -1.807 -12.848 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -0.470 -1.178 -11.488 1.00 0.00 H new ATOM 0 HG23 ILE A 80 0.888 -2.286 -11.181 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -0.194 -5.896 -14.279 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -1.763 -5.571 -13.504 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -1.074 -4.395 -14.648 1.00 0.00 H new ATOM 1334 N TYR A 81 -1.941 -1.726 -9.254 1.00 0.00 N ATOM 1335 CA TYR A 81 -2.711 -0.762 -8.473 1.00 0.00 C ATOM 1336 C TYR A 81 -2.049 0.594 -8.497 1.00 0.00 C ATOM 1337 O TYR A 81 -0.881 0.744 -8.884 1.00 0.00 O ATOM 1338 CB TYR A 81 -2.824 -1.248 -6.992 1.00 0.00 C ATOM 1339 CG TYR A 81 -3.390 -2.665 -6.817 1.00 0.00 C ATOM 1340 CD1 TYR A 81 -4.696 -2.951 -7.223 1.00 0.00 C ATOM 1341 CD2 TYR A 81 -2.600 -3.674 -6.263 1.00 0.00 C ATOM 1342 CE1 TYR A 81 -5.219 -4.228 -7.040 1.00 0.00 C ATOM 1343 CE2 TYR A 81 -3.128 -4.948 -6.074 1.00 0.00 C ATOM 1344 CZ TYR A 81 -4.435 -5.225 -6.465 1.00 0.00 C ATOM 1345 OH TYR A 81 -4.950 -6.479 -6.289 1.00 0.00 O ATOM 0 H TYR A 81 -0.932 -1.623 -9.146 1.00 0.00 H new ATOM 0 HA TYR A 81 -3.704 -0.681 -8.914 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -1.835 -1.209 -6.536 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -3.456 -0.550 -6.443 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -5.300 -2.181 -7.679 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -1.578 -3.466 -5.981 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -6.232 -4.445 -7.344 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -2.524 -5.722 -5.624 1.00 0.00 H new ATOM 0 HH TYR A 81 -5.929 -6.436 -6.309 1.00 0.00 H new ATOM 1355 N LYS A 82 -2.794 1.611 -8.111 1.00 0.00 N ATOM 1356 CA LYS A 82 -2.245 2.956 -7.959 1.00 0.00 C ATOM 1357 C LYS A 82 -3.058 3.752 -6.967 1.00 0.00 C ATOM 1358 O LYS A 82 -4.301 3.764 -7.002 1.00 0.00 O ATOM 1359 CB LYS A 82 -2.209 3.664 -9.341 1.00 0.00 C ATOM 1360 CG LYS A 82 -1.611 5.092 -9.286 1.00 0.00 C ATOM 1361 CD LYS A 82 -2.222 6.090 -10.273 1.00 0.00 C ATOM 1362 CE LYS A 82 -2.679 7.341 -9.511 1.00 0.00 C ATOM 1363 NZ LYS A 82 -3.742 8.021 -10.274 1.00 0.00 N ATOM 0 H LYS A 82 -3.788 1.537 -7.894 1.00 0.00 H new ATOM 0 HA LYS A 82 -1.227 2.885 -7.575 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -1.625 3.060 -10.035 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -3.222 3.718 -9.740 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -1.734 5.482 -8.276 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -0.539 5.028 -9.475 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -1.490 6.361 -11.034 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -3.067 5.636 -10.791 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -3.046 7.064 -8.523 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -1.836 8.016 -9.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -4.052 8.869 -9.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -3.376 8.298 -11.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -4.549 7.376 -10.396 1.00 0.00 H new ATOM 1377 N VAL A 83 -2.385 4.440 -6.064 1.00 0.00 N ATOM 1378 CA VAL A 83 -3.061 5.130 -4.967 1.00 0.00 C ATOM 1379 C VAL A 83 -3.040 6.627 -5.167 1.00 0.00 C ATOM 1380 O VAL A 83 -1.986 7.267 -5.297 1.00 0.00 O ATOM 1381 CB VAL A 83 -2.390 4.720 -3.594 1.00 0.00 C ATOM 1382 CG1 VAL A 83 -0.855 4.931 -3.485 1.00 0.00 C ATOM 1383 CG2 VAL A 83 -2.987 5.441 -2.362 1.00 0.00 C ATOM 0 H VAL A 83 -1.370 4.540 -6.063 1.00 0.00 H new ATOM 0 HA VAL A 83 -4.108 4.828 -4.949 1.00 0.00 H new ATOM 0 HB VAL A 83 -2.611 3.653 -3.592 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -0.513 4.614 -2.500 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -0.351 4.341 -4.251 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -0.622 5.986 -3.628 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -2.474 5.106 -1.460 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -2.859 6.518 -2.473 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -4.049 5.208 -2.283 1.00 0.00 H new ATOM 1393 N SER A 84 -4.220 7.215 -5.219 1.00 0.00 N ATOM 1394 CA SER A 84 -4.403 8.661 -5.315 1.00 0.00 C ATOM 1395 C SER A 84 -5.201 9.168 -4.137 1.00 0.00 C ATOM 1396 O SER A 84 -6.357 8.772 -3.918 1.00 0.00 O ATOM 1397 CB SER A 84 -5.061 9.037 -6.667 1.00 0.00 C ATOM 1398 OG SER A 84 -5.572 7.899 -7.371 1.00 0.00 O ATOM 0 H SER A 84 -5.098 6.696 -5.196 1.00 0.00 H new ATOM 0 HA SER A 84 -3.427 9.146 -5.284 1.00 0.00 H new ATOM 0 HB2 SER A 84 -5.873 9.742 -6.487 1.00 0.00 H new ATOM 0 HB3 SER A 84 -4.329 9.547 -7.293 1.00 0.00 H new ATOM 0 HG SER A 84 -5.977 8.191 -8.214 1.00 0.00 H new ATOM 1404 N ILE A 85 -4.598 10.030 -3.340 1.00 0.00 N ATOM 1405 CA ILE A 85 -5.224 10.482 -2.095 1.00 0.00 C ATOM 1406 C ILE A 85 -5.192 11.991 -2.017 1.00 0.00 C ATOM 1407 O ILE A 85 -4.112 12.615 -2.014 1.00 0.00 O ATOM 1408 CB ILE A 85 -4.576 9.767 -0.840 1.00 0.00 C ATOM 1409 CG1 ILE A 85 -4.014 8.330 -1.127 1.00 0.00 C ATOM 1410 CG2 ILE A 85 -5.551 9.691 0.378 1.00 0.00 C ATOM 1411 CD1 ILE A 85 -2.482 8.178 -1.044 1.00 0.00 C ATOM 0 H ILE A 85 -3.680 10.434 -3.524 1.00 0.00 H new ATOM 0 HA ILE A 85 -6.274 10.190 -2.088 1.00 0.00 H new ATOM 0 HB ILE A 85 -3.730 10.409 -0.595 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -4.468 7.635 -0.420 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -4.337 8.027 -2.123 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -5.055 9.191 1.210 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -5.837 10.699 0.678 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -6.442 9.130 0.096 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -2.207 7.146 -1.260 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -2.011 8.839 -1.771 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -2.144 8.442 -0.042 1.00 0.00 H new ATOM 1423 N TYR A 86 -6.347 12.623 -1.946 1.00 0.00 N ATOM 1424 CA TYR A 86 -6.478 14.070 -2.109 1.00 0.00 C ATOM 1425 C TYR A 86 -6.918 14.764 -0.841 1.00 0.00 C ATOM 1426 O TYR A 86 -7.485 14.169 0.086 1.00 0.00 O ATOM 1427 CB TYR A 86 -7.533 14.374 -3.219 1.00 0.00 C ATOM 1428 CG TYR A 86 -7.514 13.438 -4.437 1.00 0.00 C ATOM 1429 CD1 TYR A 86 -6.321 12.868 -4.890 1.00 0.00 C ATOM 1430 CD2 TYR A 86 -8.709 13.161 -5.107 1.00 0.00 C ATOM 1431 CE1 TYR A 86 -6.323 12.049 -6.016 1.00 0.00 C ATOM 1432 CE2 TYR A 86 -8.709 12.339 -6.230 1.00 0.00 C ATOM 1433 CZ TYR A 86 -7.516 11.780 -6.682 1.00 0.00 C ATOM 1434 OH TYR A 86 -7.517 10.968 -7.780 1.00 0.00 O ATOM 0 H TYR A 86 -7.233 12.148 -1.772 1.00 0.00 H new ATOM 0 HA TYR A 86 -5.492 14.447 -2.379 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -8.526 14.335 -2.770 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -7.381 15.395 -3.568 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -5.397 13.063 -4.366 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -9.636 13.587 -4.752 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -5.398 11.622 -6.373 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -9.633 12.135 -6.750 1.00 0.00 H new ATOM 0 HH TYR A 86 -8.431 10.884 -8.124 1.00 0.00 H new ATOM 1444 N ASP A 87 -6.658 16.062 -0.783 1.00 0.00 N ATOM 1445 CA ASP A 87 -7.085 16.908 0.327 1.00 0.00 C ATOM 1446 C ASP A 87 -8.507 17.382 0.133 1.00 0.00 C ATOM 1447 O ASP A 87 -9.237 16.928 -0.760 1.00 0.00 O ATOM 1448 CB ASP A 87 -6.096 18.091 0.509 1.00 0.00 C ATOM 1449 CG ASP A 87 -5.761 18.910 -0.747 1.00 0.00 C ATOM 1450 OD1 ASP A 87 -6.493 18.957 -1.724 1.00 0.00 O ATOM 1451 OD2 ASP A 87 -4.583 19.595 -0.638 1.00 0.00 O ATOM 0 H ASP A 87 -6.143 16.562 -1.507 1.00 0.00 H new ATOM 0 HA ASP A 87 -7.072 16.319 1.244 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -6.509 18.768 1.256 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -5.165 17.697 0.916 1.00 0.00 H new ATOM 1456 N THR A 88 -8.932 18.291 0.993 1.00 0.00 N ATOM 1457 CA THR A 88 -10.259 18.894 0.910 1.00 0.00 C ATOM 1458 C THR A 88 -10.506 19.541 -0.433 1.00 0.00 C ATOM 1459 O THR A 88 -11.627 19.485 -0.978 1.00 0.00 O ATOM 1460 CB THR A 88 -10.457 19.942 2.060 1.00 0.00 C ATOM 1461 OG1 THR A 88 -9.536 21.015 1.919 1.00 0.00 O ATOM 1462 CG2 THR A 88 -10.238 19.430 3.500 1.00 0.00 C ATOM 0 H THR A 88 -8.369 18.635 1.771 1.00 0.00 H new ATOM 0 HA THR A 88 -10.987 18.091 1.026 1.00 0.00 H new ATOM 0 HB THR A 88 -11.504 20.222 1.945 1.00 0.00 H new ATOM 0 HG1 THR A 88 -9.673 21.661 2.643 1.00 0.00 H new ATOM 0 HG21 THR A 88 -10.403 20.245 4.205 1.00 0.00 H new ATOM 0 HG22 THR A 88 -10.938 18.621 3.709 1.00 0.00 H new ATOM 0 HG23 THR A 88 -9.217 19.062 3.604 1.00 0.00 H new ATOM 1470 N LYS A 89 -9.491 20.148 -1.018 1.00 0.00 N ATOM 1471 CA LYS A 89 -9.666 20.936 -2.239 1.00 0.00 C ATOM 1472 C LYS A 89 -9.587 20.094 -3.493 1.00 0.00 C ATOM 1473 O LYS A 89 -9.359 20.633 -4.602 1.00 0.00 O ATOM 1474 CB LYS A 89 -8.591 22.060 -2.274 1.00 0.00 C ATOM 1475 CG LYS A 89 -8.580 22.952 -1.007 1.00 0.00 C ATOM 1476 CD LYS A 89 -9.110 24.373 -1.217 1.00 0.00 C ATOM 1477 CE LYS A 89 -8.869 25.195 0.056 1.00 0.00 C ATOM 1478 NZ LYS A 89 -9.916 24.883 1.045 1.00 0.00 N ATOM 0 H LYS A 89 -8.532 20.115 -0.672 1.00 0.00 H new ATOM 0 HA LYS A 89 -10.667 21.368 -2.219 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -7.608 21.606 -2.396 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -8.763 22.688 -3.148 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -9.176 22.468 -0.234 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -7.559 23.012 -0.631 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -8.609 24.839 -2.065 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -10.174 24.346 -1.451 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -7.885 24.969 0.468 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -8.880 26.260 -0.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -9.754 25.439 1.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -10.848 25.120 0.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -9.885 23.869 1.275 1.00 0.00 H new ATOM 1492 N GLY A 90 -9.782 18.793 -3.400 1.00 0.00 N ATOM 1493 CA GLY A 90 -9.848 17.935 -4.582 1.00 0.00 C ATOM 1494 C GLY A 90 -8.519 17.838 -5.291 1.00 0.00 C ATOM 1495 O GLY A 90 -8.435 17.317 -6.424 1.00 0.00 O ATOM 0 H GLY A 90 -9.899 18.298 -2.516 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -10.174 16.938 -4.287 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -10.598 18.325 -5.271 1.00 0.00 H new ATOM 1499 N LYS A 91 -7.447 18.301 -4.676 1.00 0.00 N ATOM 1500 CA LYS A 91 -6.117 18.246 -5.284 1.00 0.00 C ATOM 1501 C LYS A 91 -5.432 16.934 -4.987 1.00 0.00 C ATOM 1502 O LYS A 91 -5.414 16.459 -3.838 1.00 0.00 O ATOM 1503 CB LYS A 91 -5.265 19.434 -4.752 1.00 0.00 C ATOM 1504 CG LYS A 91 -5.090 20.587 -5.770 1.00 0.00 C ATOM 1505 CD LYS A 91 -4.566 21.897 -5.176 1.00 0.00 C ATOM 1506 CE LYS A 91 -3.683 21.583 -3.961 1.00 0.00 C ATOM 1507 NZ LYS A 91 -2.692 22.659 -3.784 1.00 0.00 N ATOM 0 H LYS A 91 -7.465 18.724 -3.748 1.00 0.00 H new ATOM 0 HA LYS A 91 -6.222 18.323 -6.366 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -5.732 19.828 -3.849 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -4.281 19.063 -4.466 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -4.405 20.260 -6.553 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -6.051 20.780 -6.247 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -3.994 22.446 -5.924 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -5.399 22.535 -4.880 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -4.298 21.489 -3.066 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -3.177 20.628 -4.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -2.093 22.447 -2.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -2.099 22.728 -4.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -3.184 23.562 -3.631 1.00 0.00 H new ATOM 1521 N ASN A 92 -4.828 16.333 -5.995 1.00 0.00 N ATOM 1522 CA ASN A 92 -4.014 15.135 -5.791 1.00 0.00 C ATOM 1523 C ASN A 92 -2.713 15.488 -5.107 1.00 0.00 C ATOM 1524 O ASN A 92 -1.677 15.728 -5.743 1.00 0.00 O ATOM 1525 CB ASN A 92 -3.757 14.432 -7.155 1.00 0.00 C ATOM 1526 CG ASN A 92 -3.238 12.991 -7.120 1.00 0.00 C ATOM 1527 OD1 ASN A 92 -2.818 12.424 -8.119 1.00 0.00 O ATOM 1528 ND2 ASN A 92 -3.268 12.337 -5.991 1.00 0.00 N ATOM 0 H ASN A 92 -4.881 16.649 -6.963 1.00 0.00 H new ATOM 0 HA ASN A 92 -4.554 14.444 -5.143 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -4.690 14.440 -7.719 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -3.041 15.034 -7.714 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -2.945 11.370 -5.953 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -3.615 12.793 -5.147 1.00 0.00 H new ATOM 1535 N VAL A 93 -2.747 15.505 -3.787 1.00 0.00 N ATOM 1536 CA VAL A 93 -1.613 15.955 -2.979 1.00 0.00 C ATOM 1537 C VAL A 93 -0.505 14.924 -2.915 1.00 0.00 C ATOM 1538 O VAL A 93 0.669 15.231 -2.662 1.00 0.00 O ATOM 1539 CB VAL A 93 -2.116 16.315 -1.524 1.00 0.00 C ATOM 1540 CG1 VAL A 93 -3.389 17.201 -1.435 1.00 0.00 C ATOM 1541 CG2 VAL A 93 -2.415 15.080 -0.640 1.00 0.00 C ATOM 0 H VAL A 93 -3.556 15.210 -3.240 1.00 0.00 H new ATOM 0 HA VAL A 93 -1.192 16.840 -3.457 1.00 0.00 H new ATOM 0 HB VAL A 93 -1.256 16.879 -1.162 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -3.635 17.380 -0.388 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -3.205 18.153 -1.932 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -4.221 16.692 -1.922 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -2.755 15.409 0.342 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -3.192 14.476 -1.109 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -1.509 14.484 -0.529 1.00 0.00 H new ATOM 1551 N LEU A 94 -0.871 13.682 -3.168 1.00 0.00 N ATOM 1552 CA LEU A 94 0.087 12.588 -3.278 1.00 0.00 C ATOM 1553 C LEU A 94 -0.469 11.473 -4.136 1.00 0.00 C ATOM 1554 O LEU A 94 -1.673 11.180 -4.147 1.00 0.00 O ATOM 1555 CB LEU A 94 0.492 12.075 -1.865 1.00 0.00 C ATOM 1556 CG LEU A 94 1.127 10.663 -1.729 1.00 0.00 C ATOM 1557 CD1 LEU A 94 0.109 9.570 -2.081 1.00 0.00 C ATOM 1558 CD2 LEU A 94 2.391 10.494 -2.587 1.00 0.00 C ATOM 0 H LEU A 94 -1.841 13.398 -3.304 1.00 0.00 H new ATOM 0 HA LEU A 94 0.987 12.960 -3.768 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.195 12.794 -1.443 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -0.400 12.096 -1.239 1.00 0.00 H new ATOM 0 HG LEU A 94 1.425 10.560 -0.685 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.577 8.591 -1.978 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.745 9.637 -1.406 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.229 9.705 -3.108 1.00 0.00 H new ATOM 0 HD21 LEU A 94 2.791 9.489 -2.452 1.00 0.00 H new ATOM 0 HD22 LEU A 94 2.141 10.647 -3.637 1.00 0.00 H new ATOM 0 HD23 LEU A 94 3.139 11.226 -2.282 1.00 0.00 H new ATOM 1570 N GLU A 95 0.412 10.845 -4.892 1.00 0.00 N ATOM 1571 CA GLU A 95 0.038 9.826 -5.868 1.00 0.00 C ATOM 1572 C GLU A 95 1.199 8.896 -6.130 1.00 0.00 C ATOM 1573 O GLU A 95 2.376 9.310 -6.075 1.00 0.00 O ATOM 1574 CB GLU A 95 -0.421 10.533 -7.174 1.00 0.00 C ATOM 1575 CG GLU A 95 0.694 11.121 -8.102 1.00 0.00 C ATOM 1576 CD GLU A 95 0.360 11.368 -9.575 1.00 0.00 C ATOM 1577 OE1 GLU A 95 0.107 10.229 -10.278 1.00 0.00 O ATOM 1578 OE2 GLU A 95 0.325 12.486 -10.072 1.00 0.00 O ATOM 0 H GLU A 95 1.415 11.025 -4.850 1.00 0.00 H new ATOM 0 HA GLU A 95 -0.782 9.222 -5.480 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -1.003 9.820 -7.757 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -1.094 11.345 -6.899 1.00 0.00 H new ATOM 0 HG2 GLU A 95 1.018 12.069 -7.672 1.00 0.00 H new ATOM 0 HG3 GLU A 95 1.548 10.445 -8.064 1.00 0.00 H new ATOM 1585 N LYS A 96 0.927 7.635 -6.404 1.00 0.00 N ATOM 1586 CA LYS A 96 1.989 6.645 -6.585 1.00 0.00 C ATOM 1587 C LYS A 96 1.462 5.378 -7.217 1.00 0.00 C ATOM 1588 O LYS A 96 0.260 5.077 -7.203 1.00 0.00 O ATOM 1589 CB LYS A 96 2.654 6.345 -5.213 1.00 0.00 C ATOM 1590 CG LYS A 96 4.065 5.717 -5.340 1.00 0.00 C ATOM 1591 CD LYS A 96 5.033 6.060 -4.204 1.00 0.00 C ATOM 1592 CE LYS A 96 6.302 5.208 -4.347 1.00 0.00 C ATOM 1593 NZ LYS A 96 6.988 5.123 -3.046 1.00 0.00 N ATOM 0 H LYS A 96 -0.018 7.265 -6.508 1.00 0.00 H new ATOM 0 HA LYS A 96 2.736 7.055 -7.265 1.00 0.00 H new ATOM 0 HB2 LYS A 96 2.726 7.271 -4.642 1.00 0.00 H new ATOM 0 HB3 LYS A 96 2.013 5.670 -4.646 1.00 0.00 H new ATOM 0 HG2 LYS A 96 3.960 4.633 -5.392 1.00 0.00 H new ATOM 0 HG3 LYS A 96 4.506 6.040 -6.283 1.00 0.00 H new ATOM 0 HD2 LYS A 96 5.287 7.120 -4.234 1.00 0.00 H new ATOM 0 HD3 LYS A 96 4.561 5.872 -3.239 1.00 0.00 H new ATOM 0 HE2 LYS A 96 6.044 4.209 -4.700 1.00 0.00 H new ATOM 0 HE3 LYS A 96 6.966 5.648 -5.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 7.847 4.546 -3.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 7.247 6.078 -2.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 6.354 4.685 -2.347 1.00 0.00 H new ATOM 1607 N ILE A 97 2.371 4.605 -7.787 1.00 0.00 N ATOM 1608 CA ILE A 97 2.023 3.413 -8.554 1.00 0.00 C ATOM 1609 C ILE A 97 2.490 2.163 -7.845 1.00 0.00 C ATOM 1610 O ILE A 97 3.569 2.113 -7.238 1.00 0.00 O ATOM 1611 CB ILE A 97 2.577 3.502 -10.034 1.00 0.00 C ATOM 1612 CG1 ILE A 97 2.586 4.943 -10.637 1.00 0.00 C ATOM 1613 CG2 ILE A 97 1.817 2.566 -11.024 1.00 0.00 C ATOM 1614 CD1 ILE A 97 3.387 5.124 -11.943 1.00 0.00 C ATOM 0 H ILE A 97 3.374 4.784 -7.733 1.00 0.00 H new ATOM 0 HA ILE A 97 0.937 3.358 -8.626 1.00 0.00 H new ATOM 0 HB ILE A 97 3.610 3.171 -9.928 1.00 0.00 H new ATOM 0 HG12 ILE A 97 1.555 5.245 -10.822 1.00 0.00 H new ATOM 0 HG13 ILE A 97 2.989 5.626 -9.889 1.00 0.00 H new ATOM 0 HG21 ILE A 97 2.242 2.671 -12.022 1.00 0.00 H new ATOM 0 HG22 ILE A 97 1.915 1.532 -10.695 1.00 0.00 H new ATOM 0 HG23 ILE A 97 0.762 2.841 -11.048 1.00 0.00 H new ATOM 0 HD11 ILE A 97 3.323 6.162 -12.268 1.00 0.00 H new ATOM 0 HD12 ILE A 97 4.431 4.862 -11.769 1.00 0.00 H new ATOM 0 HD13 ILE A 97 2.974 4.475 -12.716 1.00 0.00 H new ATOM 1626 N PHE A 98 1.667 1.132 -7.897 1.00 0.00 N ATOM 1627 CA PHE A 98 1.899 -0.097 -7.143 1.00 0.00 C ATOM 1628 C PHE A 98 1.676 -1.312 -8.012 1.00 0.00 C ATOM 1629 O PHE A 98 0.910 -1.276 -8.993 1.00 0.00 O ATOM 1630 CB PHE A 98 0.934 -0.142 -5.917 1.00 0.00 C ATOM 1631 CG PHE A 98 1.110 0.982 -4.882 1.00 0.00 C ATOM 1632 CD1 PHE A 98 1.164 2.318 -5.286 1.00 0.00 C ATOM 1633 CD2 PHE A 98 1.281 0.663 -3.531 1.00 0.00 C ATOM 1634 CE1 PHE A 98 1.383 3.324 -4.348 1.00 0.00 C ATOM 1635 CE2 PHE A 98 1.487 1.669 -2.594 1.00 0.00 C ATOM 1636 CZ PHE A 98 1.539 3.000 -3.001 1.00 0.00 C ATOM 0 H PHE A 98 0.818 1.118 -8.462 1.00 0.00 H new ATOM 0 HA PHE A 98 2.934 -0.106 -6.800 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -0.092 -0.113 -6.285 1.00 0.00 H new ATOM 0 HB3 PHE A 98 1.064 -1.099 -5.411 1.00 0.00 H new ATOM 0 HD1 PHE A 98 1.036 2.571 -6.328 1.00 0.00 H new ATOM 0 HD2 PHE A 98 1.253 -0.369 -3.214 1.00 0.00 H new ATOM 0 HE1 PHE A 98 1.432 4.356 -4.664 1.00 0.00 H new ATOM 0 HE2 PHE A 98 1.607 1.418 -1.550 1.00 0.00 H new ATOM 0 HZ PHE A 98 1.700 3.781 -2.273 1.00 0.00 H new ATOM 1646 N ASP A 99 2.311 -2.418 -7.674 1.00 0.00 N ATOM 1647 CA ASP A 99 2.300 -3.611 -8.516 1.00 0.00 C ATOM 1648 C ASP A 99 2.231 -4.867 -7.681 1.00 0.00 C ATOM 1649 O ASP A 99 3.267 -5.485 -7.362 1.00 0.00 O ATOM 1650 CB ASP A 99 3.539 -3.621 -9.452 1.00 0.00 C ATOM 1651 CG ASP A 99 3.425 -2.847 -10.774 1.00 0.00 C ATOM 1652 OD1 ASP A 99 2.775 -1.820 -10.896 1.00 0.00 O ATOM 1653 OD2 ASP A 99 4.150 -3.419 -11.784 1.00 0.00 O ATOM 0 H ASP A 99 2.848 -2.520 -6.813 1.00 0.00 H new ATOM 0 HA ASP A 99 1.405 -3.586 -9.137 1.00 0.00 H new ATOM 0 HB2 ASP A 99 4.386 -3.218 -8.896 1.00 0.00 H new ATOM 0 HB3 ASP A 99 3.777 -4.658 -9.687 1.00 0.00 H new ATOM 1658 N LEU A 100 1.036 -5.297 -7.322 1.00 0.00 N ATOM 1659 CA LEU A 100 0.874 -6.443 -6.427 1.00 0.00 C ATOM 1660 C LEU A 100 1.272 -7.726 -7.118 1.00 0.00 C ATOM 1661 O LEU A 100 0.709 -8.110 -8.154 1.00 0.00 O ATOM 1662 CB LEU A 100 -0.587 -6.517 -5.901 1.00 0.00 C ATOM 1663 CG LEU A 100 -1.052 -7.813 -5.185 1.00 0.00 C ATOM 1664 CD1 LEU A 100 0.004 -8.368 -4.215 1.00 0.00 C ATOM 1665 CD2 LEU A 100 -2.364 -7.557 -4.429 1.00 0.00 C ATOM 0 H LEU A 100 0.160 -4.875 -7.632 1.00 0.00 H new ATOM 0 HA LEU A 100 1.536 -6.310 -5.571 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -0.733 -5.686 -5.211 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -1.253 -6.349 -6.747 1.00 0.00 H new ATOM 0 HG LEU A 100 -1.207 -8.564 -5.960 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -0.376 -9.274 -3.743 1.00 0.00 H new ATOM 0 HD12 LEU A 100 0.916 -8.600 -4.764 1.00 0.00 H new ATOM 0 HD13 LEU A 100 0.221 -7.624 -3.449 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -2.681 -8.473 -3.930 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -2.209 -6.774 -3.686 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -3.134 -7.242 -5.133 1.00 0.00 H new ATOM 1677 N LYS A 101 2.268 -8.402 -6.573 1.00 0.00 N ATOM 1678 CA LYS A 101 2.841 -9.584 -7.208 1.00 0.00 C ATOM 1679 C LYS A 101 2.639 -10.829 -6.369 1.00 0.00 C ATOM 1680 O LYS A 101 2.163 -10.807 -5.226 1.00 0.00 O ATOM 1681 CB LYS A 101 4.364 -9.368 -7.458 1.00 0.00 C ATOM 1682 CG LYS A 101 4.701 -8.188 -8.403 1.00 0.00 C ATOM 1683 CD LYS A 101 6.188 -7.820 -8.452 1.00 0.00 C ATOM 1684 CE LYS A 101 6.351 -6.419 -9.055 1.00 0.00 C ATOM 1685 NZ LYS A 101 6.729 -6.538 -10.475 1.00 0.00 N ATOM 0 H LYS A 101 2.702 -8.153 -5.684 1.00 0.00 H new ATOM 0 HA LYS A 101 2.324 -9.729 -8.157 1.00 0.00 H new ATOM 0 HB2 LYS A 101 4.856 -9.201 -6.500 1.00 0.00 H new ATOM 0 HB3 LYS A 101 4.784 -10.283 -7.877 1.00 0.00 H new ATOM 0 HG2 LYS A 101 4.368 -8.439 -9.410 1.00 0.00 H new ATOM 0 HG3 LYS A 101 4.133 -7.313 -8.088 1.00 0.00 H new ATOM 0 HD2 LYS A 101 6.613 -7.847 -7.449 1.00 0.00 H new ATOM 0 HD3 LYS A 101 6.734 -8.550 -9.049 1.00 0.00 H new ATOM 0 HE2 LYS A 101 5.420 -5.860 -8.961 1.00 0.00 H new ATOM 0 HE3 LYS A 101 7.113 -5.863 -8.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 6.840 -5.589 -10.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 7.627 -7.056 -10.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 5.987 -7.053 -10.990 1.00 0.00 H new ATOM 1699 N ILE A 102 3.033 -11.953 -6.940 1.00 0.00 N ATOM 1700 CA ILE A 102 3.109 -13.229 -6.236 1.00 0.00 C ATOM 1701 C ILE A 102 4.417 -13.916 -6.562 1.00 0.00 C ATOM 1702 O ILE A 102 4.909 -13.883 -7.699 1.00 0.00 O ATOM 1703 CB ILE A 102 1.870 -14.169 -6.524 1.00 0.00 C ATOM 1704 CG1 ILE A 102 0.479 -13.482 -6.337 1.00 0.00 C ATOM 1705 CG2 ILE A 102 1.884 -15.469 -5.660 1.00 0.00 C ATOM 1706 CD1 ILE A 102 -0.022 -13.377 -4.879 1.00 0.00 C ATOM 0 H ILE A 102 3.314 -12.010 -7.919 1.00 0.00 H new ATOM 0 HA ILE A 102 3.074 -13.018 -5.167 1.00 0.00 H new ATOM 0 HB ILE A 102 1.991 -14.417 -7.579 1.00 0.00 H new ATOM 0 HG12 ILE A 102 0.530 -12.478 -6.758 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -0.260 -14.034 -6.918 1.00 0.00 H new ATOM 0 HG21 ILE A 102 1.010 -16.075 -5.900 1.00 0.00 H new ATOM 0 HG22 ILE A 102 2.790 -16.037 -5.872 1.00 0.00 H new ATOM 0 HG23 ILE A 102 1.862 -15.204 -4.603 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -0.994 -12.885 -4.863 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -0.114 -14.376 -4.453 1.00 0.00 H new ATOM 0 HD13 ILE A 102 0.688 -12.796 -4.291 1.00 0.00 H new ATOM 1718 N GLN A 103 4.976 -14.582 -5.571 1.00 0.00 N ATOM 1719 CA GLN A 103 6.324 -15.133 -5.664 1.00 0.00 C ATOM 1720 C GLN A 103 6.326 -16.640 -5.525 1.00 0.00 C ATOM 1721 O GLN A 103 5.574 -17.243 -4.747 1.00 0.00 O ATOM 1722 CB GLN A 103 7.200 -14.463 -4.579 1.00 0.00 C ATOM 1723 CG GLN A 103 8.468 -15.247 -4.111 1.00 0.00 C ATOM 1724 CD GLN A 103 9.596 -14.485 -3.401 1.00 0.00 C ATOM 1725 OE1 GLN A 103 9.359 -13.504 -2.714 1.00 0.00 O ATOM 1726 NE2 GLN A 103 10.838 -14.869 -3.549 1.00 0.00 N ATOM 0 H GLN A 103 4.515 -14.759 -4.679 1.00 0.00 H new ATOM 0 HA GLN A 103 6.734 -14.920 -6.651 1.00 0.00 H new ATOM 0 HB2 GLN A 103 7.521 -13.491 -4.955 1.00 0.00 H new ATOM 0 HB3 GLN A 103 6.575 -14.276 -3.706 1.00 0.00 H new ATOM 0 HG2 GLN A 103 8.135 -16.041 -3.442 1.00 0.00 H new ATOM 0 HG3 GLN A 103 8.899 -15.729 -4.988 1.00 0.00 H new ATOM 0 HE21 GLN A 103 11.055 -15.686 -4.119 1.00 0.00 H new ATOM 0 HE22 GLN A 103 11.590 -14.351 -3.094 1.00 0.00 H new ATOM 1735 N GLU A 104 7.174 -17.277 -6.312 1.00 0.00 N ATOM 1736 CA GLU A 104 7.224 -18.735 -6.419 1.00 0.00 C ATOM 1737 C GLU A 104 8.409 -19.277 -5.646 1.00 0.00 C ATOM 1738 O GLU A 104 9.340 -19.928 -6.134 1.00 0.00 O ATOM 1739 CB GLU A 104 7.268 -19.093 -7.930 1.00 0.00 C ATOM 1740 CG GLU A 104 7.538 -20.565 -8.373 1.00 0.00 C ATOM 1741 CD GLU A 104 6.352 -21.414 -8.842 1.00 0.00 C ATOM 1742 OE1 GLU A 104 5.248 -20.941 -9.075 1.00 0.00 O ATOM 1743 OE2 GLU A 104 6.646 -22.737 -8.974 1.00 0.00 O ATOM 0 H GLU A 104 7.855 -16.799 -6.902 1.00 0.00 H new ATOM 0 HA GLU A 104 6.342 -19.199 -5.977 1.00 0.00 H new ATOM 0 HB2 GLU A 104 6.313 -18.794 -8.363 1.00 0.00 H new ATOM 0 HB3 GLU A 104 8.035 -18.470 -8.389 1.00 0.00 H new ATOM 0 HG2 GLU A 104 8.268 -20.540 -9.182 1.00 0.00 H new ATOM 0 HG3 GLU A 104 8.007 -21.083 -7.536 1.00 0.00 H new ATOM 1750 N ARG A 105 8.382 -18.958 -4.351 1.00 0.00 N ATOM 1751 CA ARG A 105 9.339 -19.477 -3.383 1.00 0.00 C ATOM 1752 C ARG A 105 8.645 -19.895 -2.106 1.00 0.00 C ATOM 1753 O ARG A 105 8.454 -19.084 -1.148 1.00 0.00 O ATOM 1754 CB ARG A 105 10.425 -18.401 -3.107 1.00 0.00 C ATOM 1755 CG ARG A 105 11.871 -18.820 -3.482 1.00 0.00 C ATOM 1756 CD ARG A 105 12.210 -20.244 -3.023 1.00 0.00 C ATOM 1757 NE ARG A 105 11.940 -20.344 -1.566 1.00 0.00 N ATOM 1758 CZ ARG A 105 11.750 -21.471 -0.894 1.00 0.00 C ATOM 1759 NH1 ARG A 105 11.685 -22.649 -1.440 1.00 0.00 N ATOM 1760 NH2 ARG A 105 11.625 -21.387 0.383 1.00 0.00 N ATOM 1761 OXT ARG A 105 8.242 -21.098 -2.062 1.00 0.00 O ATOM 0 H ARG A 105 7.690 -18.328 -3.946 1.00 0.00 H new ATOM 0 HA ARG A 105 9.818 -20.365 -3.794 1.00 0.00 H new ATOM 0 HB2 ARG A 105 10.169 -17.497 -3.660 1.00 0.00 H new ATOM 0 HB3 ARG A 105 10.400 -18.144 -2.048 1.00 0.00 H new ATOM 0 HG2 ARG A 105 11.997 -18.751 -4.563 1.00 0.00 H new ATOM 0 HG3 ARG A 105 12.576 -18.120 -3.034 1.00 0.00 H new ATOM 0 HD2 ARG A 105 11.611 -20.972 -3.570 1.00 0.00 H new ATOM 0 HD3 ARG A 105 13.256 -20.471 -3.231 1.00 0.00 H new ATOM 0 HE ARG A 105 11.897 -19.472 -1.038 1.00 0.00 H new ATOM 0 HH11 ARG A 105 11.783 -22.749 -2.450 1.00 0.00 H new ATOM 0 HH12 ARG A 105 11.536 -23.473 -0.858 1.00 0.00 H new ATOM 0 HH21 ARG A 105 11.673 -20.477 0.841 1.00 0.00 H new ATOM 0 HH22 ARG A 105 11.477 -22.230 0.938 1.00 0.00 H new TER 1775 ARG A 105 HETATM 1776 C1 NAG A 106 -1.127 1.839 8.003 1.00 0.00 C HETATM 1777 C2 NAG A 106 0.240 1.149 8.268 1.00 0.00 C HETATM 1778 C3 NAG A 106 0.027 -0.372 8.542 1.00 0.00 C HETATM 1779 C4 NAG A 106 -1.021 -0.625 9.672 1.00 0.00 C HETATM 1780 C5 NAG A 106 -2.347 0.114 9.308 1.00 0.00 C HETATM 1781 C6 NAG A 106 -3.437 0.044 10.394 1.00 0.00 C HETATM 1782 C7 NAG A 106 2.252 2.123 7.177 1.00 0.00 C HETATM 1783 C8 NAG A 106 3.100 2.164 5.906 1.00 0.00 C HETATM 1784 N2 NAG A 106 1.168 1.335 7.121 1.00 0.00 N HETATM 1785 O3 NAG A 106 1.279 -0.950 8.900 1.00 0.00 O HETATM 1786 O4 NAG A 106 -1.291 -2.050 9.867 1.00 0.00 O HETATM 1787 O5 NAG A 106 -2.066 1.523 9.067 1.00 0.00 O HETATM 1788 O6 NAG A 106 -2.911 0.405 11.663 1.00 0.00 O HETATM 1789 O7 NAG A 106 2.587 2.774 8.170 1.00 0.00 O HETATM 0 HO6 NAG A 106 -3.620 0.355 12.337 1.00 0.00 H new HETATM 0 HO3 NAG A 106 1.159 -1.906 9.077 1.00 0.00 H new HETATM 0 HN2 NAG A 106 0.971 0.840 6.251 1.00 0.00 H new HETATM 0 H83 NAG A 106 3.460 1.161 5.676 1.00 0.00 H new HETATM 0 H82 NAG A 106 2.495 2.531 5.077 1.00 0.00 H new HETATM 0 H81 NAG A 106 3.950 2.829 6.057 1.00 0.00 H new HETATM 0 H62 NAG A 106 -4.259 0.711 10.133 1.00 0.00 H new HETATM 0 H61 NAG A 106 -3.847 -0.965 10.439 1.00 0.00 H new HETATM 0 H5 NAG A 106 -2.729 -0.398 8.425 1.00 0.00 H new HETATM 0 H4 NAG A 106 -0.610 -0.241 10.606 1.00 0.00 H new HETATM 0 H3 NAG A 106 -0.364 -0.834 7.635 1.00 0.00 H new HETATM 0 H2 NAG A 106 0.689 1.614 9.146 1.00 0.00 H new HETATM 1803 C1 NAG A 107 -1.408 -2.498 11.254 1.00 0.00 C HETATM 1804 C2 NAG A 107 -2.262 -3.790 11.372 1.00 0.00 C HETATM 1805 C3 NAG A 107 -2.201 -4.309 12.843 1.00 0.00 C HETATM 1806 C4 NAG A 107 -0.745 -4.475 13.364 1.00 0.00 C HETATM 1807 C5 NAG A 107 0.065 -3.166 13.123 1.00 0.00 C HETATM 1808 C6 NAG A 107 1.571 -3.287 13.424 1.00 0.00 C HETATM 1809 C7 NAG A 107 -4.361 -4.372 10.173 1.00 0.00 C HETATM 1810 C8 NAG A 107 -5.807 -3.971 9.880 1.00 0.00 C HETATM 1811 N2 NAG A 107 -3.670 -3.534 10.962 1.00 0.00 N HETATM 1812 O3 NAG A 107 -2.849 -5.570 12.926 1.00 0.00 O HETATM 1813 O4 NAG A 107 -0.766 -4.797 14.785 1.00 0.00 O HETATM 1814 O5 NAG A 107 -0.060 -2.774 11.728 1.00 0.00 O HETATM 1815 O6 NAG A 107 2.316 -3.502 12.234 1.00 0.00 O HETATM 1816 O7 NAG A 107 -3.902 -5.412 9.694 1.00 0.00 O HETATM 0 HO6 NAG A 107 1.792 -3.202 11.462 1.00 0.00 H new HETATM 0 HO3 NAG A 107 -2.687 -5.964 13.809 1.00 0.00 H new HETATM 0 HN2 NAG A 107 -4.129 -2.686 11.295 1.00 0.00 H new HETATM 0 H83 NAG A 107 -6.363 -3.906 10.815 1.00 0.00 H new HETATM 0 H82 NAG A 107 -5.822 -3.002 9.381 1.00 0.00 H new HETATM 0 H81 NAG A 107 -6.268 -4.719 9.235 1.00 0.00 H new HETATM 0 H62 NAG A 107 1.920 -2.379 13.916 1.00 0.00 H new HETATM 0 H61 NAG A 107 1.741 -4.111 14.117 1.00 0.00 H new HETATM 0 H5 NAG A 107 -0.355 -2.433 13.811 1.00 0.00 H new HETATM 0 H4 NAG A 107 -0.263 -5.288 12.821 1.00 0.00 H new HETATM 0 H3 NAG A 107 -2.698 -3.562 13.462 1.00 0.00 H new HETATM 0 H2 NAG A 107 -1.858 -4.550 10.703 1.00 0.00 H new HETATM 1830 C1 BMA A 108 -0.354 -6.135 15.173 1.00 0.00 C HETATM 1831 C2 BMA A 108 0.693 -6.068 16.316 1.00 0.00 C HETATM 1832 C3 BMA A 108 1.053 -7.508 16.782 1.00 0.00 C HETATM 1833 C4 BMA A 108 -0.209 -8.341 17.140 1.00 0.00 C HETATM 1834 C5 BMA A 108 -1.264 -8.287 15.992 1.00 0.00 C HETATM 1835 C6 BMA A 108 -2.603 -8.933 16.391 1.00 0.00 C HETATM 1836 O2 BMA A 108 0.182 -5.306 17.407 1.00 0.00 O HETATM 1837 O3 BMA A 108 1.946 -7.481 17.934 1.00 0.00 O HETATM 1838 O4 BMA A 108 0.176 -9.691 17.382 1.00 0.00 O HETATM 1839 O5 BMA A 108 -1.518 -6.901 15.604 1.00 0.00 O HETATM 1840 O6 BMA A 108 -3.646 -8.500 15.487 1.00 0.00 O HETATM 0 HO4 BMA A 108 -0.581 -10.184 17.763 1.00 0.00 H new HETATM 0 HO2 BMA A 108 -0.522 -4.705 17.085 1.00 0.00 H new HETATM 0 H62 BMA A 108 -2.515 -10.019 16.365 1.00 0.00 H new HETATM 0 H61 BMA A 108 -2.859 -8.658 17.414 1.00 0.00 H new HETATM 0 H5 BMA A 108 -0.844 -8.851 15.159 1.00 0.00 H new HETATM 0 H4 BMA A 108 -0.665 -7.917 18.035 1.00 0.00 H new HETATM 0 H3 BMA A 108 1.556 -7.984 15.940 1.00 0.00 H new HETATM 0 H2 BMA A 108 1.595 -5.580 15.947 1.00 0.00 H new HETATM 1850 C1 MAN A 109 3.326 -7.076 17.687 1.00 0.00 C HETATM 1851 C2 MAN A 109 4.254 -7.603 18.813 1.00 0.00 C HETATM 1852 C3 MAN A 109 4.024 -6.820 20.135 1.00 0.00 C HETATM 1853 C4 MAN A 109 4.076 -5.282 19.939 1.00 0.00 C HETATM 1854 C5 MAN A 109 3.132 -4.843 18.780 1.00 0.00 C HETATM 1855 C6 MAN A 109 3.254 -3.354 18.403 1.00 0.00 C HETATM 1856 O2 MAN A 109 5.638 -7.449 18.388 1.00 0.00 O HETATM 1857 O3 MAN A 109 4.992 -7.214 21.102 1.00 0.00 O HETATM 1858 O4 MAN A 109 3.698 -4.647 21.157 1.00 0.00 O HETATM 1859 O5 MAN A 109 3.428 -5.622 17.580 1.00 0.00 O HETATM 1860 O6 MAN A 109 4.125 -3.170 17.294 1.00 0.00 O HETATM 0 HO6 MAN A 109 4.311 -4.037 16.877 1.00 0.00 H new HETATM 0 HO4 MAN A 109 3.932 -5.224 21.913 1.00 0.00 H new HETATM 0 HO3 MAN A 109 5.804 -7.519 20.646 1.00 0.00 H new HETATM 0 H62 MAN A 109 2.268 -2.956 18.163 1.00 0.00 H new HETATM 0 H61 MAN A 109 3.627 -2.790 19.258 1.00 0.00 H new HETATM 0 H5 MAN A 109 2.120 -5.016 19.147 1.00 0.00 H new HETATM 0 H4 MAN A 109 5.091 -4.986 19.673 1.00 0.00 H new HETATM 0 H3 MAN A 109 3.020 -7.065 20.482 1.00 0.00 H new HETATM 0 H2 MAN A 109 4.028 -8.653 18.997 1.00 0.00 H new HETATM 1871 C1 MAN A 110 6.206 -8.512 17.574 1.00 0.00 C HETATM 1872 C2 MAN A 110 7.740 -8.584 17.781 1.00 0.00 C HETATM 1873 C3 MAN A 110 8.453 -7.380 17.116 1.00 0.00 C HETATM 1874 C4 MAN A 110 8.037 -7.187 15.634 1.00 0.00 C HETATM 1875 C5 MAN A 110 6.485 -7.149 15.494 1.00 0.00 C HETATM 1876 C6 MAN A 110 5.996 -7.164 14.032 1.00 0.00 C HETATM 1877 O2 MAN A 110 8.220 -9.805 17.223 1.00 0.00 O HETATM 1878 O3 MAN A 110 9.864 -7.549 17.204 1.00 0.00 O HETATM 1879 O4 MAN A 110 8.613 -5.979 15.147 1.00 0.00 O HETATM 1880 O5 MAN A 110 5.890 -8.307 16.161 1.00 0.00 O HETATM 1881 O6 MAN A 110 6.724 -6.241 13.230 1.00 0.00 O HETATM 0 HO6 MAN A 110 6.392 -6.275 12.309 1.00 0.00 H new HETATM 0 HO4 MAN A 110 8.152 -5.704 14.327 1.00 0.00 H new HETATM 0 HO3 MAN A 110 10.312 -6.787 16.781 1.00 0.00 H new HETATM 0 HO2 MAN A 110 9.161 -9.701 16.970 1.00 0.00 H new HETATM 0 H62 MAN A 110 6.103 -8.168 13.622 1.00 0.00 H new HETATM 0 H61 MAN A 110 4.935 -6.918 14.000 1.00 0.00 H new HETATM 0 H5 MAN A 110 6.176 -6.209 15.952 1.00 0.00 H new HETATM 0 H4 MAN A 110 8.401 -8.029 15.045 1.00 0.00 H new HETATM 0 H3 MAN A 110 8.148 -6.483 17.656 1.00 0.00 H new HETATM 0 H2 MAN A 110 7.956 -8.547 18.849 1.00 0.00 H new HETATM 1893 C1 MAN A 111 -4.947 -9.111 15.691 1.00 0.00 C HETATM 1894 C2 MAN A 111 -6.023 -8.355 14.867 1.00 0.00 C HETATM 1895 C3 MAN A 111 -6.322 -6.954 15.472 1.00 0.00 C HETATM 1896 C4 MAN A 111 -6.614 -7.016 16.997 1.00 0.00 C HETATM 1897 C5 MAN A 111 -5.483 -7.796 17.727 1.00 0.00 C HETATM 1898 C6 MAN A 111 -5.694 -7.977 19.239 1.00 0.00 C HETATM 1899 O2 MAN A 111 -7.214 -9.136 14.836 1.00 0.00 O HETATM 1900 O3 MAN A 111 -7.457 -6.363 14.784 1.00 0.00 O HETATM 1901 O4 MAN A 111 -6.718 -5.691 17.509 1.00 0.00 O HETATM 1902 O5 MAN A 111 -5.312 -9.107 17.109 1.00 0.00 O HETATM 1903 O6 MAN A 111 -7.048 -7.649 19.609 1.00 0.00 O HETATM 0 HO4 MAN A 111 -7.204 -5.706 18.360 1.00 0.00 H new HETATM 0 HO2 MAN A 111 -7.993 -8.543 14.800 1.00 0.00 H new HETATM 0 H62 MAN A 111 -5.474 -9.007 19.521 1.00 0.00 H new HETATM 0 H61 MAN A 111 -4.998 -7.341 19.787 1.00 0.00 H new HETATM 0 H5 MAN A 111 -4.590 -7.181 17.618 1.00 0.00 H new HETATM 0 H4 MAN A 111 -7.555 -7.540 17.168 1.00 0.00 H new HETATM 0 H3 MAN A 111 -5.431 -6.341 15.336 1.00 0.00 H new HETATM 0 H2 MAN A 111 -5.646 -8.204 13.856 1.00 0.00 H new HETATM 1913 C1 MAN A 112 -7.185 -5.641 13.554 1.00 0.00 C HETATM 1914 C2 MAN A 112 -7.454 -4.128 13.754 1.00 0.00 C HETATM 1915 C3 MAN A 112 -8.975 -3.839 13.846 1.00 0.00 C HETATM 1916 C4 MAN A 112 -9.777 -4.467 12.677 1.00 0.00 C HETATM 1917 C5 MAN A 112 -9.437 -5.979 12.523 1.00 0.00 C HETATM 1918 C6 MAN A 112 -10.050 -6.629 11.267 1.00 0.00 C HETATM 1919 O2 MAN A 112 -6.882 -3.415 12.661 1.00 0.00 O HETATM 1920 O3 MAN A 112 -9.197 -2.433 13.883 1.00 0.00 O HETATM 1921 O4 MAN A 112 -11.169 -4.293 12.926 1.00 0.00 O HETATM 1922 O5 MAN A 112 -7.988 -6.160 12.448 1.00 0.00 O HETATM 1923 O6 MAN A 112 -11.444 -6.856 11.432 1.00 0.00 O HETATM 0 HO6 MAN A 112 -11.807 -7.267 10.620 1.00 0.00 H new HETATM 0 HO4 MAN A 112 -11.673 -5.005 12.479 1.00 0.00 H new HETATM 0 HO3 MAN A 112 -10.159 -2.255 13.939 1.00 0.00 H new HETATM 0 HO2 MAN A 112 -7.430 -2.627 12.462 1.00 0.00 H new HETATM 0 H62 MAN A 112 -9.884 -5.985 10.403 1.00 0.00 H new HETATM 0 H61 MAN A 112 -9.547 -7.574 11.061 1.00 0.00 H new HETATM 0 H5 MAN A 112 -9.865 -6.465 13.400 1.00 0.00 H new HETATM 0 H4 MAN A 112 -9.506 -3.969 11.746 1.00 0.00 H new HETATM 0 H3 MAN A 112 -9.334 -4.302 14.765 1.00 0.00 H new HETATM 0 H2 MAN A 112 -7.000 -3.804 14.690 1.00 0.00 H new HETATM 1935 C1 MAN A 113 -7.505 -8.172 20.881 1.00 0.00 C HETATM 1936 C2 MAN A 113 -8.445 -9.382 20.638 1.00 0.00 C HETATM 1937 C3 MAN A 113 -9.800 -8.909 20.042 1.00 0.00 C HETATM 1938 C4 MAN A 113 -10.449 -7.756 20.851 1.00 0.00 C HETATM 1939 C5 MAN A 113 -9.430 -6.599 21.079 1.00 0.00 C HETATM 1940 C6 MAN A 113 -9.934 -5.499 22.033 1.00 0.00 C HETATM 1941 O2 MAN A 113 -8.653 -10.063 21.906 1.00 0.00 O HETATM 1942 O3 MAN A 113 -10.701 -10.008 19.957 1.00 0.00 O HETATM 1943 O4 MAN A 113 -11.589 -7.280 20.143 1.00 0.00 O HETATM 1944 O5 MAN A 113 -8.190 -7.130 21.640 1.00 0.00 O HETATM 1945 O6 MAN A 113 -10.469 -4.396 21.313 1.00 0.00 O HETATM 0 HO6 MAN A 113 -10.782 -3.715 21.944 1.00 0.00 H new HETATM 0 HO4 MAN A 113 -12.007 -6.551 20.648 1.00 0.00 H new HETATM 0 HO3 MAN A 113 -10.559 -10.607 20.720 1.00 0.00 H new HETATM 0 H62 MAN A 113 -10.698 -5.910 22.694 1.00 0.00 H new HETATM 0 H61 MAN A 113 -9.114 -5.160 22.666 1.00 0.00 H new HETATM 0 H5 MAN A 113 -9.279 -6.150 20.097 1.00 0.00 H new HETATM 0 H4 MAN A 113 -10.753 -8.129 21.829 1.00 0.00 H new HETATM 0 H3 MAN A 113 -9.589 -8.517 19.047 1.00 0.00 H new HETATM 0 H2 MAN A 113 -7.991 -10.066 19.921 1.00 0.00 H new HETATM 1956 C1 MAN A 114 -7.766 -11.168 22.229 1.00 0.00 C HETATM 1957 C2 MAN A 114 -8.389 -12.508 21.763 1.00 0.00 C HETATM 1958 C3 MAN A 114 -9.589 -12.906 22.663 1.00 0.00 C HETATM 1959 C4 MAN A 114 -9.240 -12.876 24.174 1.00 0.00 C HETATM 1960 C5 MAN A 114 -8.588 -11.516 24.565 1.00 0.00 C HETATM 1961 C6 MAN A 114 -8.037 -11.476 26.004 1.00 0.00 C HETATM 1962 O2 MAN A 114 -7.387 -13.520 21.808 1.00 0.00 O HETATM 1963 O3 MAN A 114 -10.052 -14.202 22.300 1.00 0.00 O HETATM 1964 O4 MAN A 114 -10.430 -13.091 24.927 1.00 0.00 O HETATM 1965 O5 MAN A 114 -7.475 -11.218 23.664 1.00 0.00 O HETATM 1966 O6 MAN A 114 -7.946 -10.142 26.488 1.00 0.00 O HETATM 0 HO6 MAN A 114 -7.595 -10.149 27.403 1.00 0.00 H new HETATM 0 HO4 MAN A 114 -10.196 -13.391 25.830 1.00 0.00 H new HETATM 0 HO3 MAN A 114 -10.808 -14.451 22.871 1.00 0.00 H new HETATM 0 HO2 MAN A 114 -7.804 -14.384 22.008 1.00 0.00 H new HETATM 0 H62 MAN A 114 -8.684 -12.059 26.659 1.00 0.00 H new HETATM 0 H61 MAN A 114 -7.052 -11.942 26.031 1.00 0.00 H new HETATM 0 H5 MAN A 114 -9.389 -10.780 24.489 1.00 0.00 H new HETATM 0 H4 MAN A 114 -8.520 -13.664 24.392 1.00 0.00 H new HETATM 0 H3 MAN A 114 -10.373 -12.166 22.501 1.00 0.00 H new HETATM 0 H2 MAN A 114 -8.760 -12.394 20.744 1.00 0.00 H new