USER MOD reduce.3.24.130724 H: found=0, std=0, add=985, rem=0, adj=48 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 60 TYR OH : rot -9:sc= 0.098 USER MOD Set 1.2: A 81 TYR OH : rot 19:sc= -2.66! USER MOD Set 2.1: A 53 THR OG1 : rot -123:sc= 0.0062 USER MOD Set 2.2: A 55 LYS NZ :NH3+ -156:sc= 1.62 (180deg=0.167) USER MOD Single : A 1 LYS N :NH3+ -157:sc= -0.701 (180deg=-2.72!) 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= -0.489 X(o=-0.49,f=-0.9) USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.688 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 ASN : amide:sc= -0.0742 K(o=-0.074,f=-0.58) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=-0.0069) USER MOD Single : A 26 MET CE :methyl -174:sc= -3.71! (180deg=-4.06!) USER MOD Single : A 27 SER OG : rot 22:sc= 1.18 USER MOD Single : A 34 LYS NZ :NH3+ 173:sc= -1.33 (180deg=-1.35) USER MOD Single : A 37 LYS NZ :NH3+ 165:sc= -7.17! (180deg=-7.48!) USER MOD Single : A 38 THR OG1 : rot -77:sc= 0.155 USER MOD Single : A 39 SER OG : rot 180:sc= 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= -4.47 K(o=-4.5,f=-8.8!) 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 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot -28:sc= 0.106 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= -0.0464 USER MOD Single : A 69 LYS NZ :NH3+ 179:sc= 0.351 (180deg=0.351) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 HIS : no HD1:sc= -2.45 X(o=-2.4,f=-2.2) USER MOD Single : A 74 LYS NZ :NH3+ -165:sc=-0.00997 (180deg=-0.13) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= -0.0153 K(o=-0.015,f=-0.91) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot 180:sc= -0.107 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= -0.391 K(o=-0.39,f=-1.9!) 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 X(o=0,f=0) USER MOD Single : A 106 NAG O3 : rot 180:sc= 0 USER MOD Single : A 106 NAG O6 : rot -60:sc= -2.16 USER MOD Single : A 107 NAG O3 : rot 180:sc= 0 USER MOD Single : A 107 NAG O6 : rot 24:sc= 0.322 USER MOD Single : A 108 BMA O2 : rot -25:sc= 0.0146 USER MOD Single : A 108 BMA O4 : rot 160:sc= 0 USER MOD Single : A 109 MAN O3 : rot 180:sc= -0.305 USER MOD Single : A 109 MAN O4 : rot -149:sc= 0.147 USER MOD Single : A 109 MAN O6 : rot 180:sc= 0.148 USER MOD Single : A 110 MAN O2 : rot 153:sc= 0.0367 USER MOD Single : A 110 MAN O3 : rot 180:sc= 0.0405 USER MOD Single : A 110 MAN O4 : rot 180:sc= 0 USER MOD Single : A 110 MAN O6 : rot 180:sc= 0 USER MOD Single : A 111 MAN O2 : rot 151:sc= 0.0629 USER MOD Single : A 111 MAN O4 : rot 150:sc= -0.117 USER MOD Single : A 112 MAN O2 : rot 158:sc= 0.0148 USER MOD Single : A 112 MAN O3 : rot 180:sc= 0.0349 USER MOD Single : A 112 MAN O4 : rot 160:sc= 0 USER MOD Single : A 112 MAN O6 : rot 180:sc= 0 USER MOD Single : A 113 MAN O3 : rot 35:sc= 0.0287 USER MOD Single : A 113 MAN O4 : rot 160:sc= 0 USER MOD Single : A 113 MAN O6 : rot 17:sc= 0.232 USER MOD Single : A 114 MAN O2 : rot 146:sc= 0.0337 USER MOD Single : A 114 MAN O3 : rot 180:sc= 0.0329 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 20.920 8.019 -11.244 1.00 0.00 N ATOM 2 CA LYS A 1 20.614 6.814 -12.009 1.00 0.00 C ATOM 3 C LYS A 1 19.158 6.784 -12.412 1.00 0.00 C ATOM 4 O LYS A 1 18.428 7.780 -12.308 1.00 0.00 O ATOM 5 CB LYS A 1 20.984 5.560 -11.171 1.00 0.00 C ATOM 6 CG LYS A 1 22.089 5.828 -10.118 1.00 0.00 C ATOM 7 CD LYS A 1 23.262 4.845 -10.152 1.00 0.00 C ATOM 8 CE LYS A 1 24.044 5.035 -11.459 1.00 0.00 C ATOM 9 NZ LYS A 1 24.820 3.816 -11.747 1.00 0.00 N ATOM 0 H1 LYS A 1 21.938 8.223 -11.310 1.00 0.00 H new ATOM 0 H2 LYS A 1 20.380 8.821 -11.628 1.00 0.00 H new ATOM 0 H3 LYS A 1 20.661 7.873 -10.248 1.00 0.00 H new ATOM 0 HA LYS A 1 21.206 6.816 -12.924 1.00 0.00 H new ATOM 0 HB2 LYS A 1 20.091 5.194 -10.665 1.00 0.00 H new ATOM 0 HB3 LYS A 1 21.317 4.768 -11.843 1.00 0.00 H new ATOM 0 HG2 LYS A 1 22.475 6.837 -10.266 1.00 0.00 H new ATOM 0 HG3 LYS A 1 21.639 5.801 -9.125 1.00 0.00 H new ATOM 0 HD2 LYS A 1 23.916 5.011 -9.296 1.00 0.00 H new ATOM 0 HD3 LYS A 1 22.896 3.821 -10.079 1.00 0.00 H new ATOM 0 HE2 LYS A 1 23.357 5.244 -12.279 1.00 0.00 H new ATOM 0 HE3 LYS A 1 24.711 5.893 -11.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 25.350 3.943 -12.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 25.485 3.636 -10.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 24.173 3.008 -11.844 1.00 0.00 H new ATOM 25 N GLU A 2 18.714 5.638 -12.893 1.00 0.00 N ATOM 26 CA GLU A 2 17.349 5.481 -13.385 1.00 0.00 C ATOM 27 C GLU A 2 16.395 5.182 -12.252 1.00 0.00 C ATOM 28 O GLU A 2 16.419 4.101 -11.647 1.00 0.00 O ATOM 29 CB GLU A 2 17.335 4.345 -14.447 1.00 0.00 C ATOM 30 CG GLU A 2 17.601 4.749 -15.935 1.00 0.00 C ATOM 31 CD GLU A 2 17.307 3.722 -17.030 1.00 0.00 C ATOM 32 OE1 GLU A 2 16.229 3.151 -17.136 1.00 0.00 O ATOM 33 OE2 GLU A 2 18.355 3.503 -17.872 1.00 0.00 O ATOM 0 H GLU A 2 19.281 4.792 -12.956 1.00 0.00 H new ATOM 0 HA GLU A 2 17.015 6.412 -13.843 1.00 0.00 H new ATOM 0 HB2 GLU A 2 18.083 3.606 -14.160 1.00 0.00 H new ATOM 0 HB3 GLU A 2 16.364 3.852 -14.400 1.00 0.00 H new ATOM 0 HG2 GLU A 2 17.010 5.640 -16.148 1.00 0.00 H new ATOM 0 HG3 GLU A 2 18.650 5.034 -16.020 1.00 0.00 H new ATOM 40 N ILE A 3 15.524 6.130 -11.963 1.00 0.00 N ATOM 41 CA ILE A 3 14.622 6.032 -10.819 1.00 0.00 C ATOM 42 C ILE A 3 13.182 5.947 -11.269 1.00 0.00 C ATOM 43 O ILE A 3 12.777 6.515 -12.293 1.00 0.00 O ATOM 44 CB ILE A 3 14.850 7.221 -9.799 1.00 0.00 C ATOM 45 CG1 ILE A 3 15.872 6.914 -8.659 1.00 0.00 C ATOM 46 CG2 ILE A 3 13.524 7.715 -9.141 1.00 0.00 C ATOM 47 CD1 ILE A 3 15.617 5.622 -7.855 1.00 0.00 C ATOM 0 H ILE A 3 15.418 6.986 -12.507 1.00 0.00 H new ATOM 0 HA ILE A 3 14.854 5.108 -10.289 1.00 0.00 H new ATOM 0 HB ILE A 3 15.271 8.005 -10.429 1.00 0.00 H new ATOM 0 HG12 ILE A 3 16.868 6.856 -9.097 1.00 0.00 H new ATOM 0 HG13 ILE A 3 15.877 7.755 -7.966 1.00 0.00 H new ATOM 0 HG21 ILE A 3 13.742 8.531 -8.451 1.00 0.00 H new ATOM 0 HG22 ILE A 3 12.843 8.067 -9.916 1.00 0.00 H new ATOM 0 HG23 ILE A 3 13.060 6.893 -8.596 1.00 0.00 H new ATOM 0 HD11 ILE A 3 16.387 5.511 -7.092 1.00 0.00 H new ATOM 0 HD12 ILE A 3 14.638 5.677 -7.378 1.00 0.00 H new ATOM 0 HD13 ILE A 3 15.645 4.764 -8.527 1.00 0.00 H new ATOM 59 N THR A 4 12.387 5.211 -10.514 1.00 0.00 N ATOM 60 CA THR A 4 10.949 5.119 -10.743 1.00 0.00 C ATOM 61 C THR A 4 10.178 5.763 -9.612 1.00 0.00 C ATOM 62 O THR A 4 10.733 6.244 -8.614 1.00 0.00 O ATOM 63 CB THR A 4 10.517 3.624 -10.924 1.00 0.00 C ATOM 64 OG1 THR A 4 11.179 2.796 -9.976 1.00 0.00 O ATOM 65 CG2 THR A 4 10.837 2.979 -12.290 1.00 0.00 C ATOM 0 H THR A 4 12.716 4.658 -9.723 1.00 0.00 H new ATOM 0 HA THR A 4 10.716 5.660 -11.660 1.00 0.00 H new ATOM 0 HB THR A 4 9.435 3.676 -10.807 1.00 0.00 H new ATOM 0 HG1 THR A 4 10.897 1.866 -10.101 1.00 0.00 H new ATOM 0 HG21 THR A 4 10.491 1.945 -12.294 1.00 0.00 H new ATOM 0 HG22 THR A 4 10.333 3.534 -13.081 1.00 0.00 H new ATOM 0 HG23 THR A 4 11.913 3.002 -12.460 1.00 0.00 H new ATOM 73 N ASN A 5 8.863 5.773 -9.763 1.00 0.00 N ATOM 74 CA ASN A 5 7.959 6.231 -8.712 1.00 0.00 C ATOM 75 C ASN A 5 6.908 5.175 -8.431 1.00 0.00 C ATOM 76 O ASN A 5 5.714 5.443 -8.244 1.00 0.00 O ATOM 77 CB ASN A 5 7.308 7.583 -9.119 1.00 0.00 C ATOM 78 CG ASN A 5 6.111 7.520 -10.075 1.00 0.00 C ATOM 79 OD1 ASN A 5 4.960 7.655 -9.690 1.00 0.00 O ATOM 80 ND2 ASN A 5 6.332 7.300 -11.343 1.00 0.00 N ATOM 0 H ASN A 5 8.391 5.466 -10.613 1.00 0.00 H new ATOM 0 HA ASN A 5 8.526 6.393 -7.795 1.00 0.00 H new ATOM 0 HB2 ASN A 5 6.989 8.092 -8.210 1.00 0.00 H new ATOM 0 HB3 ASN A 5 8.077 8.204 -9.579 1.00 0.00 H new ATOM 0 HD21 ASN A 5 5.549 7.243 -11.995 1.00 0.00 H new ATOM 0 HD22 ASN A 5 7.287 7.185 -11.682 1.00 0.00 H new ATOM 87 N ALA A 6 7.374 3.934 -8.381 1.00 0.00 N ATOM 88 CA ALA A 6 6.529 2.793 -8.047 1.00 0.00 C ATOM 89 C ALA A 6 7.045 2.077 -6.820 1.00 0.00 C ATOM 90 O ALA A 6 8.145 2.343 -6.315 1.00 0.00 O ATOM 91 CB ALA A 6 6.465 1.882 -9.286 1.00 0.00 C ATOM 0 H ALA A 6 8.346 3.689 -8.570 1.00 0.00 H new ATOM 0 HA ALA A 6 5.520 3.118 -7.792 1.00 0.00 H new ATOM 0 HB1 ALA A 6 5.839 1.016 -9.069 1.00 0.00 H new ATOM 0 HB2 ALA A 6 6.041 2.436 -10.123 1.00 0.00 H new ATOM 0 HB3 ALA A 6 7.470 1.547 -9.544 1.00 0.00 H new ATOM 97 N LEU A 7 6.254 1.139 -6.330 1.00 0.00 N ATOM 98 CA LEU A 7 6.549 0.453 -5.075 1.00 0.00 C ATOM 99 C LEU A 7 6.390 -1.044 -5.215 1.00 0.00 C ATOM 100 O LEU A 7 5.286 -1.605 -5.171 1.00 0.00 O ATOM 101 CB LEU A 7 5.653 1.013 -3.932 1.00 0.00 C ATOM 102 CG LEU A 7 5.600 2.563 -3.778 1.00 0.00 C ATOM 103 CD1 LEU A 7 4.403 3.052 -2.949 1.00 0.00 C ATOM 104 CD2 LEU A 7 6.906 3.072 -3.155 1.00 0.00 C ATOM 0 H LEU A 7 5.394 0.830 -6.783 1.00 0.00 H new ATOM 0 HA LEU A 7 7.591 0.643 -4.818 1.00 0.00 H new ATOM 0 HB2 LEU A 7 4.637 0.652 -4.089 1.00 0.00 H new ATOM 0 HB3 LEU A 7 6.000 0.589 -2.989 1.00 0.00 H new ATOM 0 HG LEU A 7 5.474 2.971 -4.781 1.00 0.00 H new ATOM 0 HD11 LEU A 7 4.427 4.140 -2.881 1.00 0.00 H new ATOM 0 HD12 LEU A 7 3.476 2.739 -3.429 1.00 0.00 H new ATOM 0 HD13 LEU A 7 4.455 2.625 -1.947 1.00 0.00 H new ATOM 0 HD21 LEU A 7 6.861 4.156 -3.051 1.00 0.00 H new ATOM 0 HD22 LEU A 7 7.042 2.618 -2.173 1.00 0.00 H new ATOM 0 HD23 LEU A 7 7.744 2.804 -3.798 1.00 0.00 H new ATOM 116 N GLU A 8 7.520 -1.717 -5.365 1.00 0.00 N ATOM 117 CA GLU A 8 7.550 -3.165 -5.544 1.00 0.00 C ATOM 118 C GLU A 8 6.850 -3.867 -4.404 1.00 0.00 C ATOM 119 O GLU A 8 7.355 -3.945 -3.274 1.00 0.00 O ATOM 120 CB GLU A 8 9.033 -3.617 -5.657 1.00 0.00 C ATOM 121 CG GLU A 8 9.879 -3.018 -6.829 1.00 0.00 C ATOM 122 CD GLU A 8 11.373 -2.780 -6.600 1.00 0.00 C ATOM 123 OE1 GLU A 8 11.803 -2.058 -5.710 1.00 0.00 O ATOM 124 OE2 GLU A 8 12.176 -3.446 -7.475 1.00 0.00 O ATOM 0 H GLU A 8 8.441 -1.279 -5.367 1.00 0.00 H new ATOM 0 HA GLU A 8 7.017 -3.433 -6.456 1.00 0.00 H new ATOM 0 HB2 GLU A 8 9.533 -3.371 -4.720 1.00 0.00 H new ATOM 0 HB3 GLU A 8 9.048 -4.703 -5.751 1.00 0.00 H new ATOM 0 HG2 GLU A 8 9.776 -3.683 -7.686 1.00 0.00 H new ATOM 0 HG3 GLU A 8 9.430 -2.065 -7.109 1.00 0.00 H new ATOM 131 N THR A 9 5.681 -4.409 -4.687 1.00 0.00 N ATOM 132 CA THR A 9 4.929 -5.184 -3.704 1.00 0.00 C ATOM 133 C THR A 9 4.954 -6.656 -4.042 1.00 0.00 C ATOM 134 O THR A 9 4.960 -7.058 -5.215 1.00 0.00 O ATOM 135 CB THR A 9 3.456 -4.661 -3.602 1.00 0.00 C ATOM 136 OG1 THR A 9 3.077 -4.001 -4.803 1.00 0.00 O ATOM 137 CG2 THR A 9 3.172 -3.629 -2.488 1.00 0.00 C ATOM 0 H THR A 9 5.224 -4.329 -5.595 1.00 0.00 H new ATOM 0 HA THR A 9 5.406 -5.056 -2.733 1.00 0.00 H new ATOM 0 HB THR A 9 2.897 -5.572 -3.387 1.00 0.00 H new ATOM 0 HG1 THR A 9 2.154 -3.682 -4.723 1.00 0.00 H new ATOM 0 HG21 THR A 9 2.121 -3.342 -2.517 1.00 0.00 H new ATOM 0 HG22 THR A 9 3.402 -4.069 -1.517 1.00 0.00 H new ATOM 0 HG23 THR A 9 3.793 -2.747 -2.642 1.00 0.00 H new ATOM 145 N TRP A 10 4.952 -7.485 -3.015 1.00 0.00 N ATOM 146 CA TRP A 10 5.099 -8.930 -3.173 1.00 0.00 C ATOM 147 C TRP A 10 4.234 -9.670 -2.180 1.00 0.00 C ATOM 148 O TRP A 10 4.008 -9.215 -1.046 1.00 0.00 O ATOM 149 CB TRP A 10 6.589 -9.320 -2.963 1.00 0.00 C ATOM 150 CG TRP A 10 7.512 -8.964 -4.133 1.00 0.00 C ATOM 151 CD1 TRP A 10 8.326 -7.816 -4.217 1.00 0.00 C ATOM 152 CD2 TRP A 10 7.650 -9.616 -5.340 1.00 0.00 C ATOM 153 NE1 TRP A 10 8.971 -7.729 -5.467 1.00 0.00 N ATOM 154 CE2 TRP A 10 8.535 -8.856 -6.145 1.00 0.00 C ATOM 155 CE3 TRP A 10 7.081 -10.819 -5.830 1.00 0.00 C ATOM 156 CZ2 TRP A 10 8.840 -9.284 -7.455 1.00 0.00 C ATOM 157 CZ3 TRP A 10 7.327 -11.172 -7.159 1.00 0.00 C ATOM 158 CH2 TRP A 10 8.198 -10.419 -7.959 1.00 0.00 C ATOM 0 H TRP A 10 4.849 -7.182 -2.047 1.00 0.00 H new ATOM 0 HA TRP A 10 4.781 -9.207 -4.178 1.00 0.00 H new ATOM 0 HB2 TRP A 10 6.957 -8.826 -2.064 1.00 0.00 H new ATOM 0 HB3 TRP A 10 6.648 -10.394 -2.784 1.00 0.00 H new ATOM 0 HD1 TRP A 10 8.441 -7.093 -3.423 1.00 0.00 H new ATOM 0 HE1 TRP A 10 9.610 -7.005 -5.796 1.00 0.00 H new ATOM 0 HE3 TRP A 10 6.474 -11.445 -5.193 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 9.556 -8.745 -8.057 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 6.838 -12.039 -7.577 1.00 0.00 H new ATOM 0 HH2 TRP A 10 8.376 -10.721 -8.981 1.00 0.00 H new ATOM 169 N GLY A 11 3.741 -10.829 -2.574 1.00 0.00 N ATOM 170 CA GLY A 11 2.805 -11.588 -1.748 1.00 0.00 C ATOM 171 C GLY A 11 2.867 -13.062 -2.070 1.00 0.00 C ATOM 172 O GLY A 11 3.591 -13.507 -2.972 1.00 0.00 O ATOM 0 H GLY A 11 3.971 -11.272 -3.464 1.00 0.00 H new ATOM 0 HA2 GLY A 11 3.037 -11.433 -0.694 1.00 0.00 H new ATOM 0 HA3 GLY A 11 1.792 -11.220 -1.909 1.00 0.00 H new ATOM 176 N ALA A 12 2.119 -13.850 -1.320 1.00 0.00 N ATOM 177 CA ALA A 12 2.175 -15.305 -1.431 1.00 0.00 C ATOM 178 C ALA A 12 0.797 -15.886 -1.647 1.00 0.00 C ATOM 179 O ALA A 12 -0.162 -15.587 -0.921 1.00 0.00 O ATOM 180 CB ALA A 12 2.856 -15.843 -0.161 1.00 0.00 C ATOM 0 H ALA A 12 1.459 -13.508 -0.621 1.00 0.00 H new ATOM 0 HA ALA A 12 2.758 -15.606 -2.302 1.00 0.00 H new ATOM 0 HB1 ALA A 12 2.914 -16.930 -0.212 1.00 0.00 H new ATOM 0 HB2 ALA A 12 3.861 -15.429 -0.084 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.276 -15.551 0.714 1.00 0.00 H new ATOM 186 N LEU A 13 0.673 -16.718 -2.663 1.00 0.00 N ATOM 187 CA LEU A 13 -0.560 -17.451 -2.943 1.00 0.00 C ATOM 188 C LEU A 13 -1.105 -18.083 -1.684 1.00 0.00 C ATOM 189 O LEU A 13 -0.456 -18.868 -0.980 1.00 0.00 O ATOM 190 CB LEU A 13 -0.308 -18.496 -4.075 1.00 0.00 C ATOM 191 CG LEU A 13 -1.413 -19.519 -4.451 1.00 0.00 C ATOM 192 CD1 LEU A 13 -2.787 -19.013 -3.994 1.00 0.00 C ATOM 193 CD2 LEU A 13 -1.421 -19.838 -5.964 1.00 0.00 C ATOM 0 H LEU A 13 1.425 -16.910 -3.325 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.322 -16.757 -3.298 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.061 -17.940 -4.979 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.579 -19.065 -3.798 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.188 -20.450 -3.930 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.551 -19.741 -4.265 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.783 -18.876 -2.913 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.004 -18.062 -4.479 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.210 -20.558 -6.180 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -1.601 -18.923 -6.528 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.458 -20.259 -6.252 1.00 0.00 H new ATOM 205 N GLY A 14 -2.341 -17.721 -1.359 1.00 0.00 N ATOM 206 CA GLY A 14 -2.990 -18.099 -0.111 1.00 0.00 C ATOM 207 C GLY A 14 -2.657 -17.156 1.020 1.00 0.00 C ATOM 208 O GLY A 14 -2.290 -17.596 2.135 1.00 0.00 O ATOM 0 H GLY A 14 -2.928 -17.148 -1.965 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -4.070 -18.119 -0.258 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -2.687 -19.110 0.161 1.00 0.00 H new ATOM 212 N GLN A 15 -2.784 -15.860 0.813 1.00 0.00 N ATOM 213 CA GLN A 15 -2.357 -14.876 1.812 1.00 0.00 C ATOM 214 C GLN A 15 -3.313 -13.708 1.870 1.00 0.00 C ATOM 215 O GLN A 15 -4.358 -13.661 1.206 1.00 0.00 O ATOM 216 CB GLN A 15 -0.921 -14.430 1.464 1.00 0.00 C ATOM 217 CG GLN A 15 -0.386 -13.065 2.007 1.00 0.00 C ATOM 218 CD GLN A 15 1.012 -13.004 2.635 1.00 0.00 C ATOM 219 OE1 GLN A 15 1.817 -12.149 2.303 1.00 0.00 O ATOM 220 NE2 GLN A 15 1.353 -13.870 3.555 1.00 0.00 N ATOM 0 H GLN A 15 -3.179 -15.455 -0.036 1.00 0.00 H new ATOM 0 HA GLN A 15 -2.364 -15.323 2.806 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -0.243 -15.209 1.814 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -0.842 -14.403 0.377 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -0.406 -12.353 1.182 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -1.096 -12.708 2.753 1.00 0.00 H new ATOM 0 HE21 GLN A 15 0.693 -14.592 3.845 1.00 0.00 H new ATOM 0 HE22 GLN A 15 2.278 -13.823 3.982 1.00 0.00 H new ATOM 229 N ASP A 16 -3.009 -12.758 2.734 1.00 0.00 N ATOM 230 CA ASP A 16 -3.705 -11.473 2.761 1.00 0.00 C ATOM 231 C ASP A 16 -2.692 -10.357 2.908 1.00 0.00 C ATOM 232 O ASP A 16 -1.903 -10.302 3.862 1.00 0.00 O ATOM 233 CB ASP A 16 -4.804 -11.469 3.855 1.00 0.00 C ATOM 234 CG ASP A 16 -4.904 -10.217 4.737 1.00 0.00 C ATOM 235 OD1 ASP A 16 -4.131 -9.986 5.656 1.00 0.00 O ATOM 236 OD2 ASP A 16 -5.957 -9.413 4.401 1.00 0.00 O ATOM 0 H ASP A 16 -2.276 -12.849 3.437 1.00 0.00 H new ATOM 0 HA ASP A 16 -4.229 -11.305 1.820 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -5.768 -11.618 3.368 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -4.639 -12.329 4.504 1.00 0.00 H new ATOM 241 N ILE A 17 -2.691 -9.457 1.942 1.00 0.00 N ATOM 242 CA ILE A 17 -1.645 -8.447 1.811 1.00 0.00 C ATOM 243 C ILE A 17 -2.182 -7.038 1.888 1.00 0.00 C ATOM 244 O ILE A 17 -3.358 -6.754 1.620 1.00 0.00 O ATOM 245 CB ILE A 17 -0.817 -8.679 0.475 1.00 0.00 C ATOM 246 CG1 ILE A 17 0.480 -7.820 0.322 1.00 0.00 C ATOM 247 CG2 ILE A 17 -1.686 -8.465 -0.804 1.00 0.00 C ATOM 248 CD1 ILE A 17 1.808 -8.547 0.616 1.00 0.00 C ATOM 0 H ILE A 17 -3.413 -9.402 1.224 1.00 0.00 H new ATOM 0 HA ILE A 17 -0.975 -8.563 2.663 1.00 0.00 H new ATOM 0 HB ILE A 17 -0.507 -9.720 0.570 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.518 -7.433 -0.696 1.00 0.00 H new ATOM 0 HG13 ILE A 17 0.404 -6.960 0.988 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -1.076 -8.635 -1.691 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -2.521 -9.166 -0.798 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -2.069 -7.445 -0.817 1.00 0.00 H new ATOM 0 HD11 ILE A 17 2.639 -7.856 0.478 1.00 0.00 H new ATOM 0 HD12 ILE A 17 1.804 -8.910 1.644 1.00 0.00 H new ATOM 0 HD13 ILE A 17 1.920 -9.390 -0.066 1.00 0.00 H new ATOM 260 N ASN A 18 -1.303 -6.113 2.245 1.00 0.00 N ATOM 261 CA ASN A 18 -1.611 -4.687 2.243 1.00 0.00 C ATOM 262 C ASN A 18 -1.036 -3.982 1.032 1.00 0.00 C ATOM 263 O ASN A 18 -0.190 -4.491 0.284 1.00 0.00 O ATOM 264 CB ASN A 18 -1.066 -4.042 3.553 1.00 0.00 C ATOM 265 CG ASN A 18 -0.425 -4.975 4.587 1.00 0.00 C ATOM 266 OD1 ASN A 18 0.654 -5.518 4.398 1.00 0.00 O ATOM 267 ND2 ASN A 18 -1.044 -5.177 5.719 1.00 0.00 N ATOM 0 H ASN A 18 -0.353 -6.329 2.545 1.00 0.00 H new ATOM 0 HA ASN A 18 -2.694 -4.574 2.194 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -0.328 -3.289 3.276 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -1.889 -3.518 4.038 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -0.626 -5.780 6.428 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -1.945 -4.732 5.894 1.00 0.00 H new ATOM 274 N LEU A 19 -1.485 -2.754 0.833 1.00 0.00 N ATOM 275 CA LEU A 19 -0.964 -1.841 -0.180 1.00 0.00 C ATOM 276 C LEU A 19 -0.503 -0.555 0.471 1.00 0.00 C ATOM 277 O LEU A 19 -1.282 0.408 0.601 1.00 0.00 O ATOM 278 CB LEU A 19 -2.028 -1.542 -1.273 1.00 0.00 C ATOM 279 CG LEU A 19 -2.334 -2.618 -2.349 1.00 0.00 C ATOM 280 CD1 LEU A 19 -2.393 -2.040 -3.773 1.00 0.00 C ATOM 281 CD2 LEU A 19 -1.290 -3.741 -2.286 1.00 0.00 C ATOM 0 H LEU A 19 -2.242 -2.350 1.385 1.00 0.00 H new ATOM 0 HA LEU A 19 -0.114 -2.322 -0.665 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.964 -1.311 -0.765 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.717 -0.637 -1.794 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.323 -3.016 -2.123 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.610 -2.839 -4.481 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.177 -1.285 -3.827 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.434 -1.586 -4.021 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.515 -4.490 -3.045 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.298 -3.327 -2.468 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.314 -4.205 -1.300 1.00 0.00 H new ATOM 293 N ASP A 20 0.752 -0.487 0.863 1.00 0.00 N ATOM 294 CA ASP A 20 1.248 0.622 1.675 1.00 0.00 C ATOM 295 C ASP A 20 1.386 1.884 0.853 1.00 0.00 C ATOM 296 O ASP A 20 0.687 2.089 -0.150 1.00 0.00 O ATOM 297 CB ASP A 20 2.567 0.202 2.382 1.00 0.00 C ATOM 298 CG ASP A 20 2.695 -1.277 2.776 1.00 0.00 C ATOM 299 OD1 ASP A 20 2.161 -1.751 3.768 1.00 0.00 O ATOM 300 OD2 ASP A 20 3.478 -1.990 1.912 1.00 0.00 O ATOM 0 H ASP A 20 1.457 -1.188 0.634 1.00 0.00 H new ATOM 0 HA ASP A 20 0.522 0.857 2.454 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.400 0.453 1.726 1.00 0.00 H new ATOM 0 HB3 ASP A 20 2.678 0.805 3.283 1.00 0.00 H new ATOM 305 N ILE A 21 2.272 2.765 1.278 1.00 0.00 N ATOM 306 CA ILE A 21 2.398 4.093 0.685 1.00 0.00 C ATOM 307 C ILE A 21 3.641 4.791 1.183 1.00 0.00 C ATOM 308 O ILE A 21 4.156 4.495 2.274 1.00 0.00 O ATOM 309 CB ILE A 21 1.087 4.949 0.952 1.00 0.00 C ATOM 310 CG1 ILE A 21 1.123 6.424 0.435 1.00 0.00 C ATOM 311 CG2 ILE A 21 0.697 4.983 2.463 1.00 0.00 C ATOM 312 CD1 ILE A 21 0.862 6.615 -1.073 1.00 0.00 C ATOM 0 H ILE A 21 2.925 2.586 2.041 1.00 0.00 H new ATOM 0 HA ILE A 21 2.504 3.984 -0.394 1.00 0.00 H new ATOM 0 HB ILE A 21 0.339 4.416 0.365 1.00 0.00 H new ATOM 0 HG12 ILE A 21 0.382 7.001 0.988 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.099 6.848 0.672 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.205 5.581 2.593 1.00 0.00 H new ATOM 0 HG22 ILE A 21 0.513 3.968 2.814 1.00 0.00 H new ATOM 0 HG23 ILE A 21 1.510 5.425 3.039 1.00 0.00 H new ATOM 0 HD11 ILE A 21 0.911 7.676 -1.319 1.00 0.00 H new ATOM 0 HD12 ILE A 21 1.617 6.075 -1.644 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.127 6.230 -1.323 1.00 0.00 H new ATOM 324 N PRO A 22 4.148 5.726 0.402 1.00 0.00 N ATOM 325 CA PRO A 22 5.311 6.657 0.724 1.00 0.00 C ATOM 326 C PRO A 22 5.286 7.276 2.105 1.00 0.00 C ATOM 327 O PRO A 22 4.456 6.999 2.981 1.00 0.00 O ATOM 328 CB PRO A 22 5.233 7.788 -0.300 1.00 0.00 C ATOM 329 CG PRO A 22 4.742 7.015 -1.535 1.00 0.00 C ATOM 330 CD PRO A 22 3.679 6.069 -0.967 1.00 0.00 C ATOM 0 HA PRO A 22 6.225 6.064 0.690 1.00 0.00 H new ATOM 0 HB2 PRO A 22 4.539 8.572 0.001 1.00 0.00 H new ATOM 0 HB3 PRO A 22 6.199 8.264 -0.466 1.00 0.00 H new ATOM 0 HG2 PRO A 22 4.323 7.684 -2.287 1.00 0.00 H new ATOM 0 HG3 PRO A 22 5.553 6.466 -2.013 1.00 0.00 H new ATOM 0 HD2 PRO A 22 2.701 6.549 -0.939 1.00 0.00 H new ATOM 0 HD3 PRO A 22 3.578 5.176 -1.583 1.00 0.00 H new ATOM 338 N SER A 23 6.222 8.199 2.315 1.00 0.00 N ATOM 339 CA SER A 23 6.277 8.974 3.551 1.00 0.00 C ATOM 340 C SER A 23 5.427 10.224 3.480 1.00 0.00 C ATOM 341 O SER A 23 5.742 11.256 4.099 1.00 0.00 O ATOM 342 CB SER A 23 7.746 9.314 3.915 1.00 0.00 C ATOM 343 OG SER A 23 7.956 9.453 5.324 1.00 0.00 O ATOM 0 H SER A 23 6.954 8.428 1.643 1.00 0.00 H new ATOM 0 HA SER A 23 5.858 8.355 4.344 1.00 0.00 H new ATOM 0 HB2 SER A 23 8.400 8.531 3.531 1.00 0.00 H new ATOM 0 HB3 SER A 23 8.033 10.241 3.418 1.00 0.00 H new ATOM 0 HG SER A 23 8.897 9.665 5.495 1.00 0.00 H new ATOM 349 N PHE A 24 4.346 10.174 2.727 1.00 0.00 N ATOM 350 CA PHE A 24 3.354 11.249 2.680 1.00 0.00 C ATOM 351 C PHE A 24 1.993 10.735 3.087 1.00 0.00 C ATOM 352 O PHE A 24 1.591 9.612 2.734 1.00 0.00 O ATOM 353 CB PHE A 24 3.277 11.830 1.236 1.00 0.00 C ATOM 354 CG PHE A 24 2.552 13.175 1.068 1.00 0.00 C ATOM 355 CD1 PHE A 24 1.377 13.450 1.773 1.00 0.00 C ATOM 356 CD2 PHE A 24 3.048 14.117 0.159 1.00 0.00 C ATOM 357 CE1 PHE A 24 0.697 14.647 1.557 1.00 0.00 C ATOM 358 CE2 PHE A 24 2.365 15.309 -0.060 1.00 0.00 C ATOM 359 CZ PHE A 24 1.189 15.573 0.638 1.00 0.00 C ATOM 0 H PHE A 24 4.123 9.383 2.123 1.00 0.00 H new ATOM 0 HA PHE A 24 3.658 12.031 3.376 1.00 0.00 H new ATOM 0 HB2 PHE A 24 4.294 11.943 0.861 1.00 0.00 H new ATOM 0 HB3 PHE A 24 2.782 11.096 0.600 1.00 0.00 H new ATOM 0 HD1 PHE A 24 0.996 12.734 2.486 1.00 0.00 H new ATOM 0 HD2 PHE A 24 3.965 13.917 -0.375 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -0.212 14.858 2.102 1.00 0.00 H new ATOM 0 HE2 PHE A 24 2.746 16.028 -0.770 1.00 0.00 H new ATOM 0 HZ PHE A 24 0.657 16.497 0.467 1.00 0.00 H new ATOM 369 N GLN A 25 1.261 11.519 3.856 1.00 0.00 N ATOM 370 CA GLN A 25 -0.018 11.076 4.408 1.00 0.00 C ATOM 371 C GLN A 25 -0.880 12.249 4.815 1.00 0.00 C ATOM 372 O GLN A 25 -0.409 13.377 5.020 1.00 0.00 O ATOM 373 CB GLN A 25 0.257 10.151 5.613 1.00 0.00 C ATOM 374 CG GLN A 25 0.277 10.834 7.021 1.00 0.00 C ATOM 375 CD GLN A 25 1.286 10.351 8.071 1.00 0.00 C ATOM 376 OE1 GLN A 25 2.460 10.180 7.785 1.00 0.00 O ATOM 377 NE2 GLN A 25 0.889 10.100 9.292 1.00 0.00 N ATOM 0 H GLN A 25 1.526 12.469 4.117 1.00 0.00 H new ATOM 0 HA GLN A 25 -0.568 10.529 3.642 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -0.501 9.368 5.623 1.00 0.00 H new ATOM 0 HB3 GLN A 25 1.218 9.662 5.456 1.00 0.00 H new ATOM 0 HG2 GLN A 25 0.448 11.899 6.867 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -0.719 10.730 7.451 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -0.089 10.237 9.549 1.00 0.00 H new ATOM 0 HE22 GLN A 25 1.557 9.767 9.987 1.00 0.00 H new ATOM 386 N MET A 26 -2.168 11.991 4.956 1.00 0.00 N ATOM 387 CA MET A 26 -3.131 12.997 5.383 1.00 0.00 C ATOM 388 C MET A 26 -2.973 13.375 6.830 1.00 0.00 C ATOM 389 O MET A 26 -2.333 12.677 7.632 1.00 0.00 O ATOM 390 CB MET A 26 -4.578 12.520 5.213 1.00 0.00 C ATOM 391 CG MET A 26 -4.935 11.250 6.075 1.00 0.00 C ATOM 392 SD MET A 26 -6.719 11.096 6.204 1.00 0.00 S ATOM 393 CE MET A 26 -7.057 10.521 4.528 1.00 0.00 C ATOM 0 H MET A 26 -2.580 11.075 4.777 1.00 0.00 H new ATOM 0 HA MET A 26 -2.928 13.856 4.744 1.00 0.00 H new ATOM 0 HB2 MET A 26 -5.253 13.332 5.483 1.00 0.00 H new ATOM 0 HB3 MET A 26 -4.755 12.295 4.161 1.00 0.00 H new ATOM 0 HG2 MET A 26 -4.514 10.356 5.616 1.00 0.00 H new ATOM 0 HG3 MET A 26 -4.494 11.336 7.068 1.00 0.00 H new ATOM 0 HE1 MET A 26 -8.134 10.467 4.372 1.00 0.00 H new ATOM 0 HE2 MET A 26 -6.621 11.216 3.810 1.00 0.00 H new ATOM 0 HE3 MET A 26 -6.620 9.533 4.387 1.00 0.00 H new ATOM 403 N SER A 27 -3.587 14.482 7.209 1.00 0.00 N ATOM 404 CA SER A 27 -3.649 14.898 8.608 1.00 0.00 C ATOM 405 C SER A 27 -4.840 15.813 8.826 1.00 0.00 C ATOM 406 O SER A 27 -5.999 15.358 8.813 1.00 0.00 O ATOM 407 CB SER A 27 -2.292 15.508 9.052 1.00 0.00 C ATOM 408 OG SER A 27 -1.299 14.510 9.314 1.00 0.00 O ATOM 0 H SER A 27 -4.056 15.118 6.564 1.00 0.00 H new ATOM 0 HA SER A 27 -3.809 14.032 9.251 1.00 0.00 H new ATOM 0 HB2 SER A 27 -1.929 16.181 8.275 1.00 0.00 H new ATOM 0 HB3 SER A 27 -2.444 16.108 9.949 1.00 0.00 H new ATOM 0 HG SER A 27 -1.533 13.684 8.842 1.00 0.00 H new ATOM 414 N ASP A 28 -4.604 17.089 9.052 1.00 0.00 N ATOM 415 CA ASP A 28 -5.680 18.041 9.315 1.00 0.00 C ATOM 416 C ASP A 28 -6.224 18.653 8.044 1.00 0.00 C ATOM 417 O ASP A 28 -7.333 19.242 8.056 1.00 0.00 O ATOM 418 CB ASP A 28 -5.188 19.129 10.307 1.00 0.00 C ATOM 419 CG ASP A 28 -4.050 20.037 9.821 1.00 0.00 C ATOM 420 OD1 ASP A 28 -3.175 19.658 9.056 1.00 0.00 O ATOM 421 OD2 ASP A 28 -4.128 21.304 10.328 1.00 0.00 O ATOM 0 H ASP A 28 -3.670 17.500 9.060 1.00 0.00 H new ATOM 0 HA ASP A 28 -6.509 17.499 9.771 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -6.038 19.759 10.571 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -4.862 18.634 11.222 1.00 0.00 H new ATOM 426 N ASP A 29 -5.533 18.540 6.927 1.00 0.00 N ATOM 427 CA ASP A 29 -5.920 19.250 5.700 1.00 0.00 C ATOM 428 C ASP A 29 -6.547 18.352 4.656 1.00 0.00 C ATOM 429 O ASP A 29 -7.406 18.769 3.865 1.00 0.00 O ATOM 430 CB ASP A 29 -4.688 20.004 5.130 1.00 0.00 C ATOM 431 CG ASP A 29 -4.170 21.193 5.951 1.00 0.00 C ATOM 432 OD1 ASP A 29 -4.343 21.296 7.157 1.00 0.00 O ATOM 433 OD2 ASP A 29 -3.513 22.118 5.189 1.00 0.00 O ATOM 0 H ASP A 29 -4.696 17.964 6.833 1.00 0.00 H new ATOM 0 HA ASP A 29 -6.697 19.965 5.969 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -3.874 19.289 5.015 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -4.940 20.363 4.132 1.00 0.00 H new ATOM 438 N ILE A 30 -6.142 17.096 4.653 1.00 0.00 N ATOM 439 CA ILE A 30 -6.562 16.159 3.614 1.00 0.00 C ATOM 440 C ILE A 30 -7.896 15.539 3.953 1.00 0.00 C ATOM 441 O ILE A 30 -8.278 15.416 5.129 1.00 0.00 O ATOM 442 CB ILE A 30 -5.455 15.064 3.332 1.00 0.00 C ATOM 443 CG1 ILE A 30 -4.261 15.549 2.449 1.00 0.00 C ATOM 444 CG2 ILE A 30 -6.045 13.774 2.678 1.00 0.00 C ATOM 445 CD1 ILE A 30 -3.885 17.039 2.583 1.00 0.00 C ATOM 0 H ILE A 30 -5.522 16.695 5.357 1.00 0.00 H new ATOM 0 HA ILE A 30 -6.688 16.722 2.689 1.00 0.00 H new ATOM 0 HB ILE A 30 -5.068 14.846 4.327 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -3.385 14.950 2.696 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -4.501 15.347 1.405 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -5.244 13.055 2.505 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -6.789 13.336 3.344 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -6.514 14.030 1.728 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -3.045 17.263 1.926 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -4.739 17.656 2.304 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -3.605 17.252 3.615 1.00 0.00 H new ATOM 457 N ASP A 31 -8.636 15.129 2.937 1.00 0.00 N ATOM 458 CA ASP A 31 -10.005 14.655 3.130 1.00 0.00 C ATOM 459 C ASP A 31 -10.333 13.413 2.330 1.00 0.00 C ATOM 460 O ASP A 31 -11.173 12.592 2.790 1.00 0.00 O ATOM 461 CB ASP A 31 -11.002 15.806 2.810 1.00 0.00 C ATOM 462 CG ASP A 31 -11.545 16.596 4.009 1.00 0.00 C ATOM 463 OD1 ASP A 31 -10.604 17.406 4.581 1.00 0.00 O ATOM 464 OD2 ASP A 31 -12.703 16.515 4.392 1.00 0.00 O ATOM 0 H ASP A 31 -8.316 15.113 1.969 1.00 0.00 H new ATOM 0 HA ASP A 31 -10.101 14.361 4.175 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -10.509 16.506 2.135 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -11.848 15.383 2.269 1.00 0.00 H new ATOM 469 N ASP A 32 -9.734 13.179 1.180 1.00 0.00 N ATOM 470 CA ASP A 32 -10.145 12.082 0.297 1.00 0.00 C ATOM 471 C ASP A 32 -8.987 11.170 -0.035 1.00 0.00 C ATOM 472 O ASP A 32 -7.813 11.563 -0.058 1.00 0.00 O ATOM 473 CB ASP A 32 -10.814 12.659 -0.978 1.00 0.00 C ATOM 474 CG ASP A 32 -12.047 13.551 -0.762 1.00 0.00 C ATOM 475 OD1 ASP A 32 -12.657 13.597 0.297 1.00 0.00 O ATOM 476 OD2 ASP A 32 -12.364 14.296 -1.863 1.00 0.00 O ATOM 0 H ASP A 32 -8.955 13.733 0.824 1.00 0.00 H new ATOM 0 HA ASP A 32 -10.877 11.468 0.821 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -10.067 13.236 -1.524 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -11.104 11.826 -1.618 1.00 0.00 H new ATOM 481 N ILE A 33 -9.314 9.921 -0.323 1.00 0.00 N ATOM 482 CA ILE A 33 -8.336 8.920 -0.740 1.00 0.00 C ATOM 483 C ILE A 33 -8.833 8.151 -1.940 1.00 0.00 C ATOM 484 O ILE A 33 -10.042 8.136 -2.241 1.00 0.00 O ATOM 485 CB ILE A 33 -7.954 7.958 0.459 1.00 0.00 C ATOM 486 CG1 ILE A 33 -7.743 8.679 1.830 1.00 0.00 C ATOM 487 CG2 ILE A 33 -6.690 7.093 0.164 1.00 0.00 C ATOM 488 CD1 ILE A 33 -8.492 8.068 3.032 1.00 0.00 C ATOM 0 H ILE A 33 -10.270 9.567 -0.275 1.00 0.00 H new ATOM 0 HA ILE A 33 -7.425 9.439 -1.038 1.00 0.00 H new ATOM 0 HB ILE A 33 -8.832 7.317 0.545 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -6.677 8.685 2.056 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -8.052 9.719 1.724 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -6.478 6.455 1.022 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -6.870 6.473 -0.714 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -5.837 7.746 -0.022 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -8.273 8.647 3.929 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -9.565 8.087 2.840 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -8.168 7.038 3.177 1.00 0.00 H new ATOM 500 N LYS A 34 -7.930 7.515 -2.666 1.00 0.00 N ATOM 501 CA LYS A 34 -8.321 6.675 -3.798 1.00 0.00 C ATOM 502 C LYS A 34 -7.253 5.666 -4.156 1.00 0.00 C ATOM 503 O LYS A 34 -6.039 5.903 -4.088 1.00 0.00 O ATOM 504 CB LYS A 34 -8.648 7.581 -5.018 1.00 0.00 C ATOM 505 CG LYS A 34 -9.681 6.955 -5.988 1.00 0.00 C ATOM 506 CD LYS A 34 -9.650 7.517 -7.412 1.00 0.00 C ATOM 507 CE LYS A 34 -10.251 6.487 -8.378 1.00 0.00 C ATOM 508 NZ LYS A 34 -9.175 5.639 -8.922 1.00 0.00 N ATOM 0 H LYS A 34 -6.925 7.560 -2.498 1.00 0.00 H new ATOM 0 HA LYS A 34 -9.206 6.107 -3.511 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -9.030 8.537 -4.660 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -7.728 7.790 -5.564 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -9.510 5.879 -6.033 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -10.680 7.102 -5.577 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -10.213 8.449 -7.460 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -8.625 7.749 -7.701 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -10.987 5.872 -7.860 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -10.774 6.994 -9.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -9.591 4.868 -9.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -8.554 6.212 -9.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -8.620 5.238 -8.139 1.00 0.00 H new ATOM 522 N TRP A 35 -7.707 4.493 -4.561 1.00 0.00 N ATOM 523 CA TRP A 35 -6.866 3.433 -5.110 1.00 0.00 C ATOM 524 C TRP A 35 -7.488 2.905 -6.387 1.00 0.00 C ATOM 525 O TRP A 35 -8.695 2.607 -6.432 1.00 0.00 O ATOM 526 CB TRP A 35 -6.709 2.290 -4.070 1.00 0.00 C ATOM 527 CG TRP A 35 -5.563 2.494 -3.072 1.00 0.00 C ATOM 528 CD1 TRP A 35 -5.640 3.185 -1.845 1.00 0.00 C ATOM 529 CD2 TRP A 35 -4.277 2.000 -3.150 1.00 0.00 C ATOM 530 NE1 TRP A 35 -4.420 3.126 -1.141 1.00 0.00 N ATOM 531 CE2 TRP A 35 -3.593 2.386 -1.971 1.00 0.00 C ATOM 532 CE3 TRP A 35 -3.611 1.260 -4.164 1.00 0.00 C ATOM 533 CZ2 TRP A 35 -2.251 1.989 -1.770 1.00 0.00 C ATOM 534 CZ3 TRP A 35 -2.308 0.829 -3.914 1.00 0.00 C ATOM 535 CH2 TRP A 35 -1.633 1.196 -2.741 1.00 0.00 C ATOM 0 H TRP A 35 -8.694 4.241 -4.518 1.00 0.00 H new ATOM 0 HA TRP A 35 -5.878 3.833 -5.336 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -7.643 2.188 -3.517 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -6.549 1.352 -4.601 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -6.523 3.695 -1.489 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -4.198 3.533 -0.233 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -4.100 1.038 -5.101 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -1.714 2.293 -0.884 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -1.810 0.201 -4.638 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -0.618 0.860 -2.585 1.00 0.00 H new ATOM 546 N GLU A 36 -6.713 2.812 -7.450 1.00 0.00 N ATOM 547 CA GLU A 36 -7.249 2.455 -8.762 1.00 0.00 C ATOM 548 C GLU A 36 -6.707 1.123 -9.220 1.00 0.00 C ATOM 549 O GLU A 36 -5.646 0.664 -8.750 1.00 0.00 O ATOM 550 CB GLU A 36 -6.888 3.588 -9.763 1.00 0.00 C ATOM 551 CG GLU A 36 -7.555 3.541 -11.177 1.00 0.00 C ATOM 552 CD GLU A 36 -6.982 4.436 -12.279 1.00 0.00 C ATOM 553 OE1 GLU A 36 -6.647 5.685 -11.851 1.00 0.00 O ATOM 554 OE2 GLU A 36 -6.839 4.061 -13.435 1.00 0.00 O ATOM 0 H GLU A 36 -5.707 2.978 -7.437 1.00 0.00 H new ATOM 0 HA GLU A 36 -8.333 2.353 -8.706 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -7.146 4.541 -9.301 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -5.807 3.584 -9.901 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -7.514 2.511 -11.530 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -8.608 3.795 -11.057 1.00 0.00 H new ATOM 561 N LYS A 37 -7.391 0.484 -10.151 1.00 0.00 N ATOM 562 CA LYS A 37 -6.961 -0.834 -10.634 1.00 0.00 C ATOM 563 C LYS A 37 -6.322 -0.701 -11.995 1.00 0.00 C ATOM 564 O LYS A 37 -6.663 0.198 -12.784 1.00 0.00 O ATOM 565 CB LYS A 37 -8.173 -1.803 -10.642 1.00 0.00 C ATOM 566 CG LYS A 37 -8.480 -2.535 -11.971 1.00 0.00 C ATOM 567 CD LYS A 37 -9.063 -3.944 -11.805 1.00 0.00 C ATOM 568 CE LYS A 37 -10.591 -3.889 -11.939 1.00 0.00 C ATOM 569 NZ LYS A 37 -10.949 -3.343 -13.260 1.00 0.00 N ATOM 0 H LYS A 37 -8.239 0.843 -10.590 1.00 0.00 H new ATOM 0 HA LYS A 37 -6.208 -1.252 -9.966 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -8.010 -2.556 -9.871 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -9.060 -1.238 -10.354 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -9.180 -1.932 -12.549 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -7.561 -2.603 -12.554 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -8.646 -4.612 -12.558 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -8.788 -4.350 -10.832 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -11.013 -4.887 -11.819 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -11.014 -3.267 -11.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -11.952 -3.537 -13.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -10.787 -2.316 -13.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -10.361 -3.791 -13.992 1.00 0.00 H new ATOM 583 N THR A 38 -5.372 -1.565 -12.296 1.00 0.00 N ATOM 584 CA THR A 38 -4.574 -1.419 -13.516 1.00 0.00 C ATOM 585 C THR A 38 -5.257 -2.031 -14.718 1.00 0.00 C ATOM 586 O THR A 38 -5.417 -1.396 -15.770 1.00 0.00 O ATOM 587 CB THR A 38 -3.152 -2.053 -13.331 1.00 0.00 C ATOM 588 OG1 THR A 38 -3.264 -3.355 -12.771 1.00 0.00 O ATOM 589 CG2 THR A 38 -2.190 -1.283 -12.401 1.00 0.00 C ATOM 0 H THR A 38 -5.129 -2.373 -11.723 1.00 0.00 H new ATOM 0 HA THR A 38 -4.469 -0.350 -13.699 1.00 0.00 H new ATOM 0 HB THR A 38 -2.736 -2.039 -14.338 1.00 0.00 H new ATOM 0 HG1 THR A 38 -3.452 -3.284 -11.812 1.00 0.00 H new ATOM 0 HG21 THR A 38 -1.238 -1.810 -12.346 1.00 0.00 H new ATOM 0 HG22 THR A 38 -2.027 -0.280 -12.796 1.00 0.00 H new ATOM 0 HG23 THR A 38 -2.625 -1.214 -11.404 1.00 0.00 H new ATOM 597 N SER A 39 -5.641 -3.286 -14.582 1.00 0.00 N ATOM 598 CA SER A 39 -6.173 -4.086 -15.681 1.00 0.00 C ATOM 599 C SER A 39 -7.188 -3.323 -16.500 1.00 0.00 C ATOM 600 O SER A 39 -7.024 -3.114 -17.713 1.00 0.00 O ATOM 601 CB SER A 39 -6.769 -5.418 -15.151 1.00 0.00 C ATOM 602 OG SER A 39 -5.772 -6.302 -14.629 1.00 0.00 O ATOM 0 H SER A 39 -5.594 -3.789 -13.696 1.00 0.00 H new ATOM 0 HA SER A 39 -5.341 -4.321 -16.345 1.00 0.00 H new ATOM 0 HB2 SER A 39 -7.499 -5.200 -14.371 1.00 0.00 H new ATOM 0 HB3 SER A 39 -7.305 -5.918 -15.958 1.00 0.00 H new ATOM 0 HG SER A 39 -6.199 -7.123 -14.308 1.00 0.00 H new ATOM 608 N ASP A 40 -8.244 -2.874 -15.849 1.00 0.00 N ATOM 609 CA ASP A 40 -9.343 -2.198 -16.533 1.00 0.00 C ATOM 610 C ASP A 40 -9.340 -0.706 -16.285 1.00 0.00 C ATOM 611 O ASP A 40 -10.209 0.018 -16.836 1.00 0.00 O ATOM 612 CB ASP A 40 -10.696 -2.841 -16.123 1.00 0.00 C ATOM 613 CG ASP A 40 -10.948 -4.276 -16.609 1.00 0.00 C ATOM 614 OD1 ASP A 40 -10.277 -5.230 -16.243 1.00 0.00 O ATOM 615 OD2 ASP A 40 -11.977 -4.360 -17.505 1.00 0.00 O ATOM 0 H ASP A 40 -8.369 -2.963 -14.841 1.00 0.00 H new ATOM 0 HA ASP A 40 -9.203 -2.329 -17.606 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -10.762 -2.833 -15.035 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -11.501 -2.208 -16.496 1.00 0.00 H new ATOM 620 N LYS A 41 -8.410 -0.179 -15.510 1.00 0.00 N ATOM 621 CA LYS A 41 -8.450 1.238 -15.132 1.00 0.00 C ATOM 622 C LYS A 41 -9.751 1.558 -14.435 1.00 0.00 C ATOM 623 O LYS A 41 -10.527 2.429 -14.854 1.00 0.00 O ATOM 624 CB LYS A 41 -8.261 2.117 -16.399 1.00 0.00 C ATOM 625 CG LYS A 41 -8.007 3.612 -16.082 1.00 0.00 C ATOM 626 CD LYS A 41 -7.860 4.515 -17.310 1.00 0.00 C ATOM 627 CE LYS A 41 -6.904 5.668 -16.979 1.00 0.00 C ATOM 628 NZ LYS A 41 -7.124 6.775 -17.927 1.00 0.00 N ATOM 0 H LYS A 41 -7.620 -0.699 -15.128 1.00 0.00 H new ATOM 0 HA LYS A 41 -7.639 1.452 -14.436 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -7.423 1.729 -16.979 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -9.149 2.032 -17.026 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -8.830 3.984 -15.472 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.102 3.692 -15.480 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -7.478 3.941 -18.154 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -8.833 4.907 -17.606 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -7.070 6.011 -15.958 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -5.871 5.326 -17.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -6.476 7.557 -17.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -6.944 6.443 -18.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -8.107 7.107 -17.851 1.00 0.00 H new ATOM 642 N LYS A 42 -10.003 0.863 -13.339 1.00 0.00 N ATOM 643 CA LYS A 42 -11.292 0.955 -12.659 1.00 0.00 C ATOM 644 C LYS A 42 -11.145 0.917 -11.147 1.00 0.00 C ATOM 645 O LYS A 42 -10.349 0.182 -10.553 1.00 0.00 O ATOM 646 CB LYS A 42 -12.223 -0.183 -13.156 1.00 0.00 C ATOM 647 CG LYS A 42 -13.578 0.328 -13.710 1.00 0.00 C ATOM 648 CD LYS A 42 -14.659 -0.745 -13.864 1.00 0.00 C ATOM 649 CE LYS A 42 -14.361 -1.588 -15.111 1.00 0.00 C ATOM 650 NZ LYS A 42 -15.619 -2.156 -15.629 1.00 0.00 N ATOM 0 H LYS A 42 -9.336 0.229 -12.899 1.00 0.00 H new ATOM 0 HA LYS A 42 -11.738 1.919 -12.904 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -11.710 -0.748 -13.935 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -12.412 -0.873 -12.334 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -13.953 1.108 -13.048 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -13.405 0.791 -14.682 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -14.686 -1.381 -12.979 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -15.641 -0.279 -13.952 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -13.885 -0.973 -15.875 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -13.662 -2.387 -14.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -15.420 -2.728 -16.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -16.055 -2.756 -14.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -16.271 -1.385 -15.878 1.00 0.00 H new ATOM 664 N LYS A 43 -11.971 1.726 -10.498 1.00 0.00 N ATOM 665 CA LYS A 43 -11.921 1.982 -9.064 1.00 0.00 C ATOM 666 C LYS A 43 -11.710 0.721 -8.249 1.00 0.00 C ATOM 667 O LYS A 43 -12.107 -0.395 -8.608 1.00 0.00 O ATOM 668 CB LYS A 43 -13.235 2.693 -8.626 1.00 0.00 C ATOM 669 CG LYS A 43 -13.672 3.873 -9.532 1.00 0.00 C ATOM 670 CD LYS A 43 -15.147 3.850 -9.946 1.00 0.00 C ATOM 671 CE LYS A 43 -15.284 3.350 -11.390 1.00 0.00 C ATOM 672 NZ LYS A 43 -16.553 2.612 -11.534 1.00 0.00 N ATOM 0 H LYS A 43 -12.717 2.238 -10.969 1.00 0.00 H new ATOM 0 HA LYS A 43 -11.061 2.623 -8.872 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -14.038 1.957 -8.601 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -13.109 3.063 -7.608 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -13.470 4.808 -9.010 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -13.056 3.870 -10.431 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -15.711 3.203 -9.274 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -15.573 4.849 -9.858 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -15.259 4.192 -12.082 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -14.444 2.704 -11.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -16.648 2.272 -12.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -16.558 1.801 -10.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -17.349 3.242 -11.308 1.00 0.00 H new ATOM 686 N ILE A 44 -11.087 0.901 -7.095 1.00 0.00 N ATOM 687 CA ILE A 44 -10.806 -0.178 -6.154 1.00 0.00 C ATOM 688 C ILE A 44 -11.288 0.186 -4.766 1.00 0.00 C ATOM 689 O ILE A 44 -12.050 -0.536 -4.109 1.00 0.00 O ATOM 690 CB ILE A 44 -9.268 -0.558 -6.153 1.00 0.00 C ATOM 691 CG1 ILE A 44 -8.867 -1.732 -7.105 1.00 0.00 C ATOM 692 CG2 ILE A 44 -8.735 -0.895 -4.725 1.00 0.00 C ATOM 693 CD1 ILE A 44 -7.356 -2.035 -7.194 1.00 0.00 C ATOM 0 H ILE A 44 -10.757 1.813 -6.779 1.00 0.00 H new ATOM 0 HA ILE A 44 -11.355 -1.062 -6.479 1.00 0.00 H new ATOM 0 HB ILE A 44 -8.802 0.350 -6.535 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -9.381 -2.635 -6.775 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -9.233 -1.505 -8.106 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -7.676 -1.148 -4.782 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -8.867 -0.031 -4.074 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -9.289 -1.742 -4.320 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -7.191 -2.865 -7.881 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -6.829 -1.153 -7.558 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -6.979 -2.301 -6.206 1.00 0.00 H new ATOM 705 N ALA A 45 -10.840 1.337 -4.295 1.00 0.00 N ATOM 706 CA ALA A 45 -11.230 1.880 -2.997 1.00 0.00 C ATOM 707 C ALA A 45 -11.208 3.394 -3.030 1.00 0.00 C ATOM 708 O ALA A 45 -10.331 3.991 -3.697 1.00 0.00 O ATOM 709 CB ALA A 45 -10.281 1.292 -1.938 1.00 0.00 C ATOM 0 H ALA A 45 -10.187 1.931 -4.806 1.00 0.00 H new ATOM 0 HA ALA A 45 -12.253 1.600 -2.744 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -10.548 1.680 -0.955 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -10.368 0.205 -1.935 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -9.255 1.574 -2.173 1.00 0.00 H new ATOM 715 N GLN A 46 -12.109 4.055 -2.328 1.00 0.00 N ATOM 716 CA GLN A 46 -12.083 5.519 -2.252 1.00 0.00 C ATOM 717 C GLN A 46 -12.770 6.057 -1.014 1.00 0.00 C ATOM 718 O GLN A 46 -13.637 5.434 -0.387 1.00 0.00 O ATOM 719 CB GLN A 46 -12.751 6.092 -3.521 1.00 0.00 C ATOM 720 CG GLN A 46 -12.383 5.430 -4.889 1.00 0.00 C ATOM 721 CD GLN A 46 -13.201 5.794 -6.135 1.00 0.00 C ATOM 722 OE1 GLN A 46 -13.833 4.946 -6.744 1.00 0.00 O ATOM 723 NE2 GLN A 46 -13.249 7.036 -6.545 1.00 0.00 N ATOM 0 H GLN A 46 -12.865 3.614 -1.804 1.00 0.00 H new ATOM 0 HA GLN A 46 -11.041 5.833 -2.187 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -13.831 6.023 -3.393 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -12.504 7.152 -3.582 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -11.340 5.667 -5.099 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -12.445 4.350 -4.759 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -12.727 7.758 -6.048 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -13.808 7.282 -7.362 1.00 0.00 H new ATOM 732 N PHE A 47 -12.390 7.274 -0.654 1.00 0.00 N ATOM 733 CA PHE A 47 -13.029 8.036 0.413 1.00 0.00 C ATOM 734 C PHE A 47 -13.382 9.426 -0.066 1.00 0.00 C ATOM 735 O PHE A 47 -12.546 10.140 -0.650 1.00 0.00 O ATOM 736 CB PHE A 47 -12.073 8.163 1.639 1.00 0.00 C ATOM 737 CG PHE A 47 -12.233 7.119 2.755 1.00 0.00 C ATOM 738 CD1 PHE A 47 -13.454 6.951 3.412 1.00 0.00 C ATOM 739 CD2 PHE A 47 -11.123 6.369 3.162 1.00 0.00 C ATOM 740 CE1 PHE A 47 -13.569 6.029 4.449 1.00 0.00 C ATOM 741 CE2 PHE A 47 -11.240 5.444 4.193 1.00 0.00 C ATOM 742 CZ PHE A 47 -12.464 5.272 4.836 1.00 0.00 C ATOM 0 H PHE A 47 -11.618 7.769 -1.100 1.00 0.00 H new ATOM 0 HA PHE A 47 -13.936 7.506 0.704 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -11.047 8.116 1.275 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -12.212 9.152 2.077 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -14.311 7.538 3.115 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -10.171 6.510 2.672 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -14.515 5.900 4.954 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -10.383 4.860 4.495 1.00 0.00 H new ATOM 0 HZ PHE A 47 -12.557 4.551 5.635 1.00 0.00 H new ATOM 752 N ARG A 48 -14.612 9.845 0.157 1.00 0.00 N ATOM 753 CA ARG A 48 -15.088 11.137 -0.334 1.00 0.00 C ATOM 754 C ARG A 48 -16.165 11.690 0.569 1.00 0.00 C ATOM 755 O ARG A 48 -17.202 11.052 0.808 1.00 0.00 O ATOM 756 CB ARG A 48 -15.598 10.973 -1.792 1.00 0.00 C ATOM 757 CG ARG A 48 -16.664 12.011 -2.232 1.00 0.00 C ATOM 758 CD ARG A 48 -16.809 12.098 -3.757 1.00 0.00 C ATOM 759 NE ARG A 48 -18.055 12.843 -4.066 1.00 0.00 N ATOM 760 CZ ARG A 48 -19.241 12.297 -4.303 1.00 0.00 C ATOM 761 NH1 ARG A 48 -19.482 11.020 -4.264 1.00 0.00 N ATOM 762 NH2 ARG A 48 -20.211 13.089 -4.593 1.00 0.00 N ATOM 0 H ARG A 48 -15.308 9.311 0.677 1.00 0.00 H new ATOM 0 HA ARG A 48 -14.266 11.853 -0.328 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -14.746 11.039 -2.469 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -16.017 9.973 -1.904 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -17.626 11.746 -1.794 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -16.394 12.992 -1.840 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -15.947 12.604 -4.192 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -16.846 11.099 -4.192 1.00 0.00 H new ATOM 0 HE ARG A 48 -17.995 13.861 -4.099 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -18.732 10.366 -4.039 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -20.421 10.672 -4.458 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -20.053 14.096 -4.634 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -21.139 12.711 -4.782 1.00 0.00 H new ATOM 776 N LYS A 49 -15.925 12.873 1.103 1.00 0.00 N ATOM 777 CA LYS A 49 -16.816 13.466 2.097 1.00 0.00 C ATOM 778 C LYS A 49 -16.735 12.701 3.399 1.00 0.00 C ATOM 779 O LYS A 49 -16.370 11.518 3.448 1.00 0.00 O ATOM 780 CB LYS A 49 -18.270 13.496 1.548 1.00 0.00 C ATOM 781 CG LYS A 49 -19.029 14.807 1.870 1.00 0.00 C ATOM 782 CD LYS A 49 -18.890 15.909 0.817 1.00 0.00 C ATOM 783 CE LYS A 49 -19.890 15.655 -0.319 1.00 0.00 C ATOM 784 NZ LYS A 49 -20.391 16.944 -0.829 1.00 0.00 N ATOM 0 H LYS A 49 -15.117 13.449 0.867 1.00 0.00 H new ATOM 0 HA LYS A 49 -16.504 14.491 2.295 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -18.244 13.358 0.467 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -18.824 12.654 1.964 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -20.087 14.576 1.995 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -18.672 15.191 2.826 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -19.075 16.884 1.268 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -17.873 15.927 0.425 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -19.410 15.096 -1.122 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -20.720 15.047 0.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -21.069 16.773 -1.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -20.863 17.461 -0.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -19.595 17.508 -1.188 1.00 0.00 H new ATOM 798 N GLU A 50 -17.042 13.391 4.483 1.00 0.00 N ATOM 799 CA GLU A 50 -17.164 12.773 5.799 1.00 0.00 C ATOM 800 C GLU A 50 -18.590 12.325 6.050 1.00 0.00 C ATOM 801 O GLU A 50 -19.211 12.587 7.089 1.00 0.00 O ATOM 802 CB GLU A 50 -16.690 13.795 6.870 1.00 0.00 C ATOM 803 CG GLU A 50 -15.184 14.221 6.829 1.00 0.00 C ATOM 804 CD GLU A 50 -14.814 15.641 7.266 1.00 0.00 C ATOM 805 OE1 GLU A 50 -15.607 16.572 7.248 1.00 0.00 O ATOM 806 OE2 GLU A 50 -13.521 15.768 7.674 1.00 0.00 O ATOM 0 H GLU A 50 -17.215 14.396 4.480 1.00 0.00 H new ATOM 0 HA GLU A 50 -16.538 11.882 5.853 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -17.299 14.694 6.773 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -16.896 13.374 7.854 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -14.626 13.525 7.455 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -14.829 14.085 5.807 1.00 0.00 H new ATOM 813 N LYS A 51 -19.144 11.646 5.064 1.00 0.00 N ATOM 814 CA LYS A 51 -20.538 11.220 5.037 1.00 0.00 C ATOM 815 C LYS A 51 -20.595 9.702 4.826 1.00 0.00 C ATOM 816 O LYS A 51 -20.532 8.893 5.757 1.00 0.00 O ATOM 817 CB LYS A 51 -21.293 12.081 3.966 1.00 0.00 C ATOM 818 CG LYS A 51 -21.813 13.424 4.534 1.00 0.00 C ATOM 819 CD LYS A 51 -22.559 14.313 3.533 1.00 0.00 C ATOM 820 CE LYS A 51 -23.909 13.671 3.186 1.00 0.00 C ATOM 821 NZ LYS A 51 -24.982 14.341 3.943 1.00 0.00 N ATOM 0 H LYS A 51 -18.624 11.365 4.233 1.00 0.00 H new ATOM 0 HA LYS A 51 -21.053 11.395 5.982 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -20.624 12.281 3.129 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -22.133 11.509 3.573 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -22.477 13.212 5.372 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -20.966 13.984 4.931 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -22.714 15.305 3.957 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -21.963 14.442 2.630 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -24.098 13.754 2.116 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -23.890 12.608 3.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -25.897 13.906 3.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -24.803 14.240 4.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -25.005 15.350 3.694 1.00 0.00 H new ATOM 835 N GLU A 52 -20.745 9.344 3.565 1.00 0.00 N ATOM 836 CA GLU A 52 -20.668 7.957 3.125 1.00 0.00 C ATOM 837 C GLU A 52 -19.518 7.765 2.160 1.00 0.00 C ATOM 838 O GLU A 52 -19.174 8.639 1.351 1.00 0.00 O ATOM 839 CB GLU A 52 -22.022 7.564 2.472 1.00 0.00 C ATOM 840 CG GLU A 52 -22.116 7.700 0.913 1.00 0.00 C ATOM 841 CD GLU A 52 -23.493 7.853 0.265 1.00 0.00 C ATOM 842 OE1 GLU A 52 -23.945 9.137 0.233 1.00 0.00 O ATOM 843 OE2 GLU A 52 -24.126 6.907 -0.185 1.00 0.00 O ATOM 0 H GLU A 52 -20.925 10.007 2.811 1.00 0.00 H new ATOM 0 HA GLU A 52 -20.482 7.309 3.981 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -22.241 6.530 2.737 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -22.805 8.179 2.915 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -21.517 8.563 0.621 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -21.643 6.821 0.477 1.00 0.00 H new ATOM 850 N THR A 53 -18.884 6.610 2.252 1.00 0.00 N ATOM 851 CA THR A 53 -17.654 6.315 1.521 1.00 0.00 C ATOM 852 C THR A 53 -17.889 5.348 0.384 1.00 0.00 C ATOM 853 O THR A 53 -19.028 5.019 0.023 1.00 0.00 O ATOM 854 CB THR A 53 -16.571 5.751 2.504 1.00 0.00 C ATOM 855 OG1 THR A 53 -16.644 4.333 2.563 1.00 0.00 O ATOM 856 CG2 THR A 53 -16.682 6.205 3.976 1.00 0.00 C ATOM 0 H THR A 53 -19.207 5.841 2.839 1.00 0.00 H new ATOM 0 HA THR A 53 -17.296 7.247 1.083 1.00 0.00 H new ATOM 0 HB THR A 53 -15.644 6.143 2.085 1.00 0.00 H new ATOM 0 HG1 THR A 53 -16.783 4.051 3.491 1.00 0.00 H new ATOM 0 HG21 THR A 53 -15.880 5.751 4.558 1.00 0.00 H new ATOM 0 HG22 THR A 53 -16.599 7.291 4.029 1.00 0.00 H new ATOM 0 HG23 THR A 53 -17.645 5.894 4.381 1.00 0.00 H new ATOM 864 N PHE A 54 -16.803 4.872 -0.201 1.00 0.00 N ATOM 865 CA PHE A 54 -16.863 3.859 -1.252 1.00 0.00 C ATOM 866 C PHE A 54 -16.043 2.642 -0.888 1.00 0.00 C ATOM 867 O PHE A 54 -14.810 2.619 -1.036 1.00 0.00 O ATOM 868 CB PHE A 54 -16.318 4.437 -2.595 1.00 0.00 C ATOM 869 CG PHE A 54 -16.197 3.440 -3.760 1.00 0.00 C ATOM 870 CD1 PHE A 54 -17.119 2.399 -3.901 1.00 0.00 C ATOM 871 CD2 PHE A 54 -15.124 3.536 -4.653 1.00 0.00 C ATOM 872 CE1 PHE A 54 -16.992 1.492 -4.950 1.00 0.00 C ATOM 873 CE2 PHE A 54 -15.002 2.633 -5.703 1.00 0.00 C ATOM 874 CZ PHE A 54 -15.941 1.616 -5.857 1.00 0.00 C ATOM 0 H PHE A 54 -15.857 5.172 0.035 1.00 0.00 H new ATOM 0 HA PHE A 54 -17.908 3.569 -1.363 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -16.970 5.253 -2.907 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -15.335 4.869 -2.409 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -17.931 2.298 -3.196 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -14.387 4.315 -4.526 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -17.709 0.692 -5.061 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -14.180 2.720 -6.398 1.00 0.00 H new ATOM 0 HZ PHE A 54 -15.855 0.922 -6.680 1.00 0.00 H new ATOM 884 N LYS A 55 -16.721 1.605 -0.433 1.00 0.00 N ATOM 885 CA LYS A 55 -16.070 0.364 -0.023 1.00 0.00 C ATOM 886 C LYS A 55 -16.937 -0.834 -0.334 1.00 0.00 C ATOM 887 O LYS A 55 -17.952 -1.096 0.331 1.00 0.00 O ATOM 888 CB LYS A 55 -15.743 0.430 1.494 1.00 0.00 C ATOM 889 CG LYS A 55 -14.273 0.072 1.826 1.00 0.00 C ATOM 890 CD LYS A 55 -13.293 1.246 1.758 1.00 0.00 C ATOM 891 CE LYS A 55 -13.311 1.999 3.095 1.00 0.00 C ATOM 892 NZ LYS A 55 -14.121 3.223 2.956 1.00 0.00 N ATOM 0 H LYS A 55 -17.736 1.594 -0.335 1.00 0.00 H new ATOM 0 HA LYS A 55 -15.143 0.250 -0.585 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -15.955 1.435 1.860 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -16.404 -0.251 2.030 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -14.236 -0.356 2.828 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -13.938 -0.702 1.136 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -12.287 0.883 1.545 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -13.568 1.918 0.945 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -13.724 1.363 3.878 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -12.295 2.254 3.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -13.825 3.918 3.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -13.985 3.623 2.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -15.126 2.992 3.094 1.00 0.00 H new ATOM 906 N GLU A 56 -16.547 -1.599 -1.337 1.00 0.00 N ATOM 907 CA GLU A 56 -17.344 -2.733 -1.798 1.00 0.00 C ATOM 908 C GLU A 56 -17.193 -3.917 -0.871 1.00 0.00 C ATOM 909 O GLU A 56 -18.153 -4.651 -0.587 1.00 0.00 O ATOM 910 CB GLU A 56 -16.906 -3.091 -3.246 1.00 0.00 C ATOM 911 CG GLU A 56 -17.666 -2.391 -4.421 1.00 0.00 C ATOM 912 CD GLU A 56 -17.624 -3.042 -5.806 1.00 0.00 C ATOM 913 OE1 GLU A 56 -17.501 -4.248 -5.972 1.00 0.00 O ATOM 914 OE2 GLU A 56 -17.735 -2.153 -6.832 1.00 0.00 O ATOM 0 H GLU A 56 -15.679 -1.459 -1.854 1.00 0.00 H new ATOM 0 HA GLU A 56 -18.400 -2.463 -1.795 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -15.846 -2.858 -3.345 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -17.009 -4.169 -3.373 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -18.712 -2.297 -4.130 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -17.270 -1.380 -4.517 1.00 0.00 H new ATOM 921 N LYS A 57 -15.986 -4.131 -0.383 1.00 0.00 N ATOM 922 CA LYS A 57 -15.666 -5.308 0.421 1.00 0.00 C ATOM 923 C LYS A 57 -14.345 -5.134 1.131 1.00 0.00 C ATOM 924 O LYS A 57 -13.606 -4.161 0.909 1.00 0.00 O ATOM 925 CB LYS A 57 -15.647 -6.566 -0.490 1.00 0.00 C ATOM 926 CG LYS A 57 -16.208 -7.835 0.200 1.00 0.00 C ATOM 927 CD LYS A 57 -17.645 -7.707 0.713 1.00 0.00 C ATOM 928 CE LYS A 57 -18.061 -9.023 1.384 1.00 0.00 C ATOM 929 NZ LYS A 57 -19.532 -9.100 1.440 1.00 0.00 N ATOM 0 H LYS A 57 -15.198 -3.500 -0.529 1.00 0.00 H new ATOM 0 HA LYS A 57 -16.432 -5.435 1.186 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -16.229 -6.363 -1.389 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -14.623 -6.758 -0.810 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -16.162 -8.665 -0.505 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -15.560 -8.092 1.038 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -17.718 -6.884 1.424 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -18.319 -7.477 -0.112 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -17.662 -9.870 0.826 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -17.644 -9.079 2.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -19.816 -9.991 1.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -19.901 -8.298 1.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -19.918 -9.065 0.475 1.00 0.00 H new ATOM 943 N ASP A 58 -14.018 -6.068 2.007 1.00 0.00 N ATOM 944 CA ASP A 58 -12.717 -6.059 2.681 1.00 0.00 C ATOM 945 C ASP A 58 -11.573 -6.338 1.729 1.00 0.00 C ATOM 946 O ASP A 58 -10.434 -5.890 1.920 1.00 0.00 O ATOM 947 CB ASP A 58 -12.710 -7.061 3.867 1.00 0.00 C ATOM 948 CG ASP A 58 -13.887 -6.995 4.848 1.00 0.00 C ATOM 949 OD1 ASP A 58 -14.455 -5.752 4.915 1.00 0.00 O ATOM 950 OD2 ASP A 58 -14.272 -7.958 5.497 1.00 0.00 O ATOM 0 H ASP A 58 -14.627 -6.842 2.272 1.00 0.00 H new ATOM 0 HA ASP A 58 -12.563 -5.053 3.072 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -12.669 -8.070 3.456 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -11.790 -6.909 4.432 1.00 0.00 H new ATOM 955 N THR A 59 -11.872 -7.113 0.701 1.00 0.00 N ATOM 956 CA THR A 59 -10.883 -7.451 -0.317 1.00 0.00 C ATOM 957 C THR A 59 -10.199 -6.211 -0.839 1.00 0.00 C ATOM 958 O THR A 59 -9.134 -6.286 -1.482 1.00 0.00 O ATOM 959 CB THR A 59 -11.540 -8.238 -1.505 1.00 0.00 C ATOM 960 OG1 THR A 59 -10.551 -8.615 -2.455 1.00 0.00 O ATOM 961 CG2 THR A 59 -12.604 -7.482 -2.329 1.00 0.00 C ATOM 0 H THR A 59 -12.793 -7.523 0.546 1.00 0.00 H new ATOM 0 HA THR A 59 -10.137 -8.091 0.153 1.00 0.00 H new ATOM 0 HB THR A 59 -12.027 -9.070 -0.996 1.00 0.00 H new ATOM 0 HG1 THR A 59 -9.814 -7.969 -2.434 1.00 0.00 H new ATOM 0 HG21 THR A 59 -12.982 -8.131 -3.119 1.00 0.00 H new ATOM 0 HG22 THR A 59 -13.427 -7.187 -1.678 1.00 0.00 H new ATOM 0 HG23 THR A 59 -12.156 -6.593 -2.773 1.00 0.00 H new ATOM 969 N TYR A 60 -10.804 -5.055 -0.644 1.00 0.00 N ATOM 970 CA TYR A 60 -10.142 -3.789 -0.963 1.00 0.00 C ATOM 971 C TYR A 60 -10.628 -2.675 -0.065 1.00 0.00 C ATOM 972 O TYR A 60 -11.736 -2.131 -0.267 1.00 0.00 O ATOM 973 CB TYR A 60 -10.424 -3.370 -2.435 1.00 0.00 C ATOM 974 CG TYR A 60 -9.638 -4.111 -3.525 1.00 0.00 C ATOM 975 CD1 TYR A 60 -8.268 -4.347 -3.378 1.00 0.00 C ATOM 976 CD2 TYR A 60 -10.292 -4.547 -4.682 1.00 0.00 C ATOM 977 CE1 TYR A 60 -7.578 -5.077 -4.343 1.00 0.00 C ATOM 978 CE2 TYR A 60 -9.601 -5.278 -5.644 1.00 0.00 C ATOM 979 CZ TYR A 60 -8.244 -5.543 -5.473 1.00 0.00 C ATOM 980 OH TYR A 60 -7.563 -6.264 -6.413 1.00 0.00 O ATOM 0 H TYR A 60 -11.748 -4.958 -0.269 1.00 0.00 H new ATOM 0 HA TYR A 60 -9.074 -3.947 -0.813 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -11.488 -3.507 -2.630 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -10.217 -2.304 -2.531 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -7.744 -3.963 -2.515 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -11.337 -4.316 -4.829 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -6.525 -5.282 -4.214 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -10.116 -5.639 -6.522 1.00 0.00 H new ATOM 0 HH TYR A 60 -6.604 -6.240 -6.213 1.00 0.00 H new ATOM 990 N LYS A 61 -9.865 -2.306 0.948 1.00 0.00 N ATOM 991 CA LYS A 61 -10.277 -1.255 1.883 1.00 0.00 C ATOM 992 C LYS A 61 -9.173 -0.253 2.146 1.00 0.00 C ATOM 993 O LYS A 61 -7.981 -0.587 2.152 1.00 0.00 O ATOM 994 CB LYS A 61 -10.739 -1.912 3.214 1.00 0.00 C ATOM 995 CG LYS A 61 -10.934 -0.910 4.380 1.00 0.00 C ATOM 996 CD LYS A 61 -10.839 -1.521 5.783 1.00 0.00 C ATOM 997 CE LYS A 61 -10.377 -0.447 6.778 1.00 0.00 C ATOM 998 NZ LYS A 61 -11.530 0.028 7.563 1.00 0.00 N ATOM 0 H LYS A 61 -8.953 -2.715 1.151 1.00 0.00 H new ATOM 0 HA LYS A 61 -11.101 -0.703 1.430 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -11.678 -2.438 3.040 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -10.005 -2.660 3.511 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -10.185 -0.123 4.292 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -11.909 -0.436 4.272 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -11.808 -1.919 6.085 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -10.138 -2.356 5.781 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -9.616 -0.856 7.442 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -9.920 0.386 6.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -11.215 0.755 8.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -12.242 0.434 6.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -11.947 -0.769 8.084 1.00 0.00 H new ATOM 1012 N LEU A 62 -9.552 0.989 2.397 1.00 0.00 N ATOM 1013 CA LEU A 62 -8.609 2.086 2.605 1.00 0.00 C ATOM 1014 C LEU A 62 -8.288 2.268 4.071 1.00 0.00 C ATOM 1015 O LEU A 62 -9.049 1.847 4.959 1.00 0.00 O ATOM 1016 CB LEU A 62 -9.172 3.407 2.001 1.00 0.00 C ATOM 1017 CG LEU A 62 -8.677 3.846 0.597 1.00 0.00 C ATOM 1018 CD1 LEU A 62 -8.243 2.620 -0.217 1.00 0.00 C ATOM 1019 CD2 LEU A 62 -9.729 4.643 -0.192 1.00 0.00 C ATOM 0 H LEU A 62 -10.530 1.271 2.464 1.00 0.00 H new ATOM 0 HA LEU A 62 -7.682 1.832 2.092 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -10.257 3.316 1.957 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -8.948 4.213 2.699 1.00 0.00 H new ATOM 0 HG LEU A 62 -7.828 4.510 0.761 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -7.898 2.940 -1.200 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -7.434 2.106 0.302 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -9.089 1.942 -0.332 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -9.322 4.920 -1.164 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -10.619 4.030 -0.333 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -9.993 5.544 0.361 1.00 0.00 H new ATOM 1031 N PHE A 63 -7.175 2.916 4.365 1.00 0.00 N ATOM 1032 CA PHE A 63 -6.812 3.283 5.733 1.00 0.00 C ATOM 1033 C PHE A 63 -6.453 4.748 5.827 1.00 0.00 C ATOM 1034 O PHE A 63 -6.409 5.480 4.823 1.00 0.00 O ATOM 1035 CB PHE A 63 -5.592 2.438 6.211 1.00 0.00 C ATOM 1036 CG PHE A 63 -5.806 0.921 6.330 1.00 0.00 C ATOM 1037 CD1 PHE A 63 -6.541 0.381 7.388 1.00 0.00 C ATOM 1038 CD2 PHE A 63 -5.203 0.065 5.402 1.00 0.00 C ATOM 1039 CE1 PHE A 63 -6.702 -0.998 7.493 1.00 0.00 C ATOM 1040 CE2 PHE A 63 -5.369 -1.312 5.506 1.00 0.00 C ATOM 1041 CZ PHE A 63 -6.129 -1.843 6.545 1.00 0.00 C ATOM 0 H PHE A 63 -6.492 3.206 3.665 1.00 0.00 H new ATOM 0 HA PHE A 63 -7.676 3.086 6.368 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -4.767 2.612 5.521 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -5.278 2.815 7.185 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -6.985 1.034 8.125 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -4.606 0.475 4.601 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -7.272 -1.413 8.311 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -4.909 -1.968 4.782 1.00 0.00 H new ATOM 0 HZ PHE A 63 -6.274 -2.911 6.616 1.00 0.00 H new ATOM 1051 N LYS A 64 -6.172 5.216 7.032 1.00 0.00 N ATOM 1052 CA LYS A 64 -5.888 6.633 7.259 1.00 0.00 C ATOM 1053 C LYS A 64 -4.561 7.024 6.651 1.00 0.00 C ATOM 1054 O LYS A 64 -4.397 8.119 6.090 1.00 0.00 O ATOM 1055 CB LYS A 64 -5.906 6.942 8.782 1.00 0.00 C ATOM 1056 CG LYS A 64 -7.316 7.234 9.352 1.00 0.00 C ATOM 1057 CD LYS A 64 -7.695 8.717 9.426 1.00 0.00 C ATOM 1058 CE LYS A 64 -8.809 8.901 10.465 1.00 0.00 C ATOM 1059 NZ LYS A 64 -9.448 10.216 10.278 1.00 0.00 N ATOM 0 H LYS A 64 -6.133 4.639 7.872 1.00 0.00 H new ATOM 0 HA LYS A 64 -6.664 7.223 6.771 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -5.477 6.096 9.319 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -5.263 7.801 8.975 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -8.053 6.717 8.737 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -7.381 6.808 10.353 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -6.825 9.314 9.699 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -8.030 9.068 8.450 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -9.550 8.108 10.363 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -8.397 8.825 11.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -10.203 10.339 10.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -8.738 10.967 10.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -9.855 10.272 9.322 1.00 0.00 H new ATOM 1073 N ASN A 65 -3.583 6.142 6.749 1.00 0.00 N ATOM 1074 CA ASN A 65 -2.224 6.447 6.310 1.00 0.00 C ATOM 1075 C ASN A 65 -2.067 6.318 4.811 1.00 0.00 C ATOM 1076 O ASN A 65 -0.942 6.479 4.283 1.00 0.00 O ATOM 1077 CB ASN A 65 -1.223 5.504 7.043 1.00 0.00 C ATOM 1078 CG ASN A 65 -1.576 4.013 7.088 1.00 0.00 C ATOM 1079 OD1 ASN A 65 -2.402 3.514 6.338 1.00 0.00 O ATOM 1080 ND2 ASN A 65 -0.939 3.221 7.977 1.00 0.00 N ATOM 0 H ASN A 65 -3.701 5.203 7.130 1.00 0.00 H new ATOM 0 HA ASN A 65 -2.011 7.485 6.564 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -0.249 5.607 6.565 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -1.114 5.857 8.068 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -0.247 3.620 8.611 1.00 0.00 H new ATOM 1086 N GLY A 66 -3.123 6.027 4.077 1.00 0.00 N ATOM 1087 CA GLY A 66 -3.022 5.807 2.631 1.00 0.00 C ATOM 1088 C GLY A 66 -2.636 4.389 2.294 1.00 0.00 C ATOM 1089 O GLY A 66 -2.072 4.115 1.212 1.00 0.00 O ATOM 0 H GLY A 66 -4.067 5.935 4.451 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -3.977 6.042 2.162 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -2.284 6.491 2.212 1.00 0.00 H new ATOM 1093 N THR A 67 -2.897 3.447 3.180 1.00 0.00 N ATOM 1094 CA THR A 67 -2.684 2.030 2.887 1.00 0.00 C ATOM 1095 C THR A 67 -3.925 1.410 2.293 1.00 0.00 C ATOM 1096 O THR A 67 -5.039 1.965 2.412 1.00 0.00 O ATOM 1097 CB THR A 67 -2.249 1.261 4.181 1.00 0.00 C ATOM 1098 OG1 THR A 67 -0.867 1.469 4.444 1.00 0.00 O ATOM 1099 CG2 THR A 67 -2.410 -0.274 4.151 1.00 0.00 C ATOM 0 H THR A 67 -3.259 3.632 4.115 1.00 0.00 H new ATOM 0 HA THR A 67 -1.882 1.952 2.153 1.00 0.00 H new ATOM 0 HB THR A 67 -2.922 1.669 4.935 1.00 0.00 H new ATOM 0 HG1 THR A 67 -0.612 0.983 5.256 1.00 0.00 H new ATOM 0 HG21 THR A 67 -2.077 -0.693 5.100 1.00 0.00 H new ATOM 0 HG22 THR A 67 -3.458 -0.527 3.991 1.00 0.00 H new ATOM 0 HG23 THR A 67 -1.809 -0.687 3.341 1.00 0.00 H new ATOM 1107 N LEU A 68 -3.795 0.277 1.628 1.00 0.00 N ATOM 1108 CA LEU A 68 -4.961 -0.470 1.153 1.00 0.00 C ATOM 1109 C LEU A 68 -4.851 -1.936 1.499 1.00 0.00 C ATOM 1110 O LEU A 68 -3.972 -2.659 1.010 1.00 0.00 O ATOM 1111 CB LEU A 68 -5.183 -0.298 -0.382 1.00 0.00 C ATOM 1112 CG LEU A 68 -6.449 -0.977 -0.982 1.00 0.00 C ATOM 1113 CD1 LEU A 68 -7.648 -0.021 -1.092 1.00 0.00 C ATOM 1114 CD2 LEU A 68 -6.127 -1.579 -2.355 1.00 0.00 C ATOM 0 H LEU A 68 -2.898 -0.152 1.401 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.828 -0.053 1.666 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.231 0.768 -0.602 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.308 -0.691 -0.899 1.00 0.00 H new ATOM 0 HG LEU A 68 -6.738 -1.768 -0.290 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -8.499 -0.553 -1.517 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -7.910 0.350 -0.101 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -7.386 0.818 -1.736 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -7.020 -2.051 -2.764 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -5.792 -0.790 -3.029 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -5.339 -2.325 -2.250 1.00 0.00 H new ATOM 1126 N LYS A 69 -5.765 -2.417 2.324 1.00 0.00 N ATOM 1127 CA LYS A 69 -5.805 -3.833 2.681 1.00 0.00 C ATOM 1128 C LYS A 69 -6.505 -4.647 1.618 1.00 0.00 C ATOM 1129 O LYS A 69 -7.697 -4.457 1.331 1.00 0.00 O ATOM 1130 CB LYS A 69 -6.509 -3.998 4.056 1.00 0.00 C ATOM 1131 CG LYS A 69 -6.485 -5.452 4.589 1.00 0.00 C ATOM 1132 CD LYS A 69 -5.158 -5.885 5.218 1.00 0.00 C ATOM 1133 CE LYS A 69 -5.398 -6.285 6.680 1.00 0.00 C ATOM 1134 NZ LYS A 69 -4.381 -7.268 7.093 1.00 0.00 N ATOM 0 H LYS A 69 -6.492 -1.851 2.762 1.00 0.00 H new ATOM 0 HA LYS A 69 -4.783 -4.206 2.753 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -6.027 -3.344 4.783 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -7.544 -3.668 3.968 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -7.276 -5.565 5.330 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -6.719 -6.129 3.767 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -4.736 -6.723 4.664 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -4.434 -5.071 5.165 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -5.350 -5.405 7.322 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -6.396 -6.709 6.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -4.533 -7.527 8.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -4.458 -8.118 6.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -3.433 -6.854 6.983 1.00 0.00 H new ATOM 1148 N ILE A 70 -5.782 -5.581 1.030 1.00 0.00 N ATOM 1149 CA ILE A 70 -6.362 -6.544 0.093 1.00 0.00 C ATOM 1150 C ILE A 70 -6.354 -7.929 0.697 1.00 0.00 C ATOM 1151 O ILE A 70 -5.294 -8.539 0.908 1.00 0.00 O ATOM 1152 CB ILE A 70 -5.655 -6.537 -1.326 1.00 0.00 C ATOM 1153 CG1 ILE A 70 -5.173 -5.142 -1.842 1.00 0.00 C ATOM 1154 CG2 ILE A 70 -6.550 -7.172 -2.439 1.00 0.00 C ATOM 1155 CD1 ILE A 70 -4.034 -5.184 -2.888 1.00 0.00 C ATOM 0 H ILE A 70 -4.780 -5.699 1.182 1.00 0.00 H new ATOM 0 HA ILE A 70 -7.392 -6.235 -0.083 1.00 0.00 H new ATOM 0 HB ILE A 70 -4.766 -7.140 -1.142 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -6.025 -4.619 -2.277 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -4.839 -4.552 -0.988 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -6.021 -7.143 -3.392 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -6.774 -8.207 -2.179 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -7.480 -6.609 -2.523 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -3.772 -4.168 -3.182 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -3.161 -5.673 -2.456 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -4.365 -5.741 -3.764 1.00 0.00 H new ATOM 1167 N LYS A 71 -7.533 -8.442 1.004 1.00 0.00 N ATOM 1168 CA LYS A 71 -7.650 -9.811 1.504 1.00 0.00 C ATOM 1169 C LYS A 71 -7.595 -10.808 0.368 1.00 0.00 C ATOM 1170 O LYS A 71 -7.997 -10.525 -0.769 1.00 0.00 O ATOM 1171 CB LYS A 71 -8.965 -9.951 2.317 1.00 0.00 C ATOM 1172 CG LYS A 71 -8.976 -11.166 3.278 1.00 0.00 C ATOM 1173 CD LYS A 71 -10.193 -11.241 4.204 1.00 0.00 C ATOM 1174 CE LYS A 71 -10.036 -12.439 5.150 1.00 0.00 C ATOM 1175 NZ LYS A 71 -11.346 -12.775 5.736 1.00 0.00 N ATOM 0 H LYS A 71 -8.418 -7.941 0.919 1.00 0.00 H new ATOM 0 HA LYS A 71 -6.807 -10.027 2.161 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -9.123 -9.040 2.895 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -9.802 -10.039 1.625 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -8.931 -12.080 2.686 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -8.074 -11.137 3.889 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -10.285 -10.319 4.778 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -11.106 -11.343 3.617 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -9.638 -13.296 4.607 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -9.322 -12.202 5.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -11.241 -13.587 6.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -11.708 -11.958 6.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -12.014 -13.018 4.977 1.00 0.00 H new ATOM 1189 N HIS A 72 -7.134 -12.005 0.684 1.00 0.00 N ATOM 1190 CA HIS A 72 -6.864 -13.030 -0.319 1.00 0.00 C ATOM 1191 C HIS A 72 -5.799 -12.569 -1.288 1.00 0.00 C ATOM 1192 O HIS A 72 -5.903 -11.555 -1.991 1.00 0.00 O ATOM 1193 CB HIS A 72 -8.193 -13.296 -1.049 1.00 0.00 C ATOM 1194 CG HIS A 72 -8.271 -14.698 -1.583 1.00 0.00 C ATOM 1195 ND1 HIS A 72 -7.432 -15.751 -1.225 1.00 0.00 N ATOM 1196 CD2 HIS A 72 -9.216 -15.095 -2.518 1.00 0.00 C ATOM 1197 CE1 HIS A 72 -7.946 -16.726 -1.999 1.00 0.00 C ATOM 1198 NE2 HIS A 72 -9.008 -16.422 -2.793 1.00 0.00 N ATOM 0 H HIS A 72 -6.935 -12.298 1.641 1.00 0.00 H new ATOM 0 HA HIS A 72 -6.489 -13.941 0.148 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -9.024 -13.122 -0.365 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -8.303 -12.588 -1.871 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -9.981 -14.469 -2.953 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -7.527 -17.721 -1.990 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -9.521 -17.029 -3.432 1.00 0.00 H new ATOM 1207 N LEU A 73 -4.726 -13.348 -1.364 1.00 0.00 N ATOM 1208 CA LEU A 73 -3.522 -12.983 -2.101 1.00 0.00 C ATOM 1209 C LEU A 73 -3.001 -14.139 -2.926 1.00 0.00 C ATOM 1210 O LEU A 73 -1.889 -14.648 -2.745 1.00 0.00 O ATOM 1211 CB LEU A 73 -2.427 -12.477 -1.119 1.00 0.00 C ATOM 1212 CG LEU A 73 -1.220 -11.685 -1.689 1.00 0.00 C ATOM 1213 CD1 LEU A 73 -0.151 -12.574 -2.350 1.00 0.00 C ATOM 1214 CD2 LEU A 73 -1.711 -10.638 -2.699 1.00 0.00 C ATOM 0 H LEU A 73 -4.667 -14.260 -0.911 1.00 0.00 H new ATOM 0 HA LEU A 73 -3.782 -12.180 -2.790 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -2.915 -11.845 -0.377 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -2.032 -13.344 -0.589 1.00 0.00 H new ATOM 0 HG LEU A 73 -0.742 -11.204 -0.836 1.00 0.00 H new ATOM 0 HD11 LEU A 73 0.661 -11.950 -2.724 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.241 -13.278 -1.616 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -0.597 -13.124 -3.178 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.858 -10.086 -3.095 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -2.231 -11.137 -3.517 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -2.393 -9.946 -2.204 1.00 0.00 H new ATOM 1226 N LYS A 74 -3.833 -14.576 -3.861 1.00 0.00 N ATOM 1227 CA LYS A 74 -3.466 -15.591 -4.838 1.00 0.00 C ATOM 1228 C LYS A 74 -3.074 -14.995 -6.173 1.00 0.00 C ATOM 1229 O LYS A 74 -2.963 -13.776 -6.357 1.00 0.00 O ATOM 1230 CB LYS A 74 -4.645 -16.594 -5.024 1.00 0.00 C ATOM 1231 CG LYS A 74 -6.047 -15.996 -4.740 1.00 0.00 C ATOM 1232 CD LYS A 74 -7.199 -16.702 -5.469 1.00 0.00 C ATOM 1233 CE LYS A 74 -7.321 -18.143 -4.957 1.00 0.00 C ATOM 1234 NZ LYS A 74 -6.649 -19.056 -5.899 1.00 0.00 N ATOM 0 H LYS A 74 -4.788 -14.234 -3.963 1.00 0.00 H new ATOM 0 HA LYS A 74 -2.591 -16.114 -4.452 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -4.626 -16.973 -6.046 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -4.487 -17.447 -4.364 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -6.234 -16.035 -3.667 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -6.044 -14.944 -5.025 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -8.133 -16.165 -5.302 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -7.019 -16.701 -6.544 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -6.872 -18.228 -3.968 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -8.371 -18.417 -4.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -6.940 -20.035 -5.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -6.914 -18.806 -6.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -5.618 -18.972 -5.788 1.00 0.00 H new ATOM 1248 N THR A 75 -2.833 -15.892 -7.123 1.00 0.00 N ATOM 1249 CA THR A 75 -2.445 -15.477 -8.471 1.00 0.00 C ATOM 1250 C THR A 75 -3.466 -14.551 -9.100 1.00 0.00 C ATOM 1251 O THR A 75 -3.159 -13.687 -9.933 1.00 0.00 O ATOM 1252 CB THR A 75 -2.212 -16.729 -9.381 1.00 0.00 C ATOM 1253 OG1 THR A 75 -1.122 -17.503 -8.896 1.00 0.00 O ATOM 1254 CG2 THR A 75 -1.858 -16.446 -10.857 1.00 0.00 C ATOM 0 H THR A 75 -2.898 -16.901 -6.990 1.00 0.00 H new ATOM 0 HA THR A 75 -1.513 -14.920 -8.382 1.00 0.00 H new ATOM 0 HB THR A 75 -3.179 -17.230 -9.343 1.00 0.00 H new ATOM 0 HG1 THR A 75 -0.991 -18.283 -9.475 1.00 0.00 H new ATOM 0 HG21 THR A 75 -1.720 -17.389 -11.385 1.00 0.00 H new ATOM 0 HG22 THR A 75 -2.666 -15.883 -11.324 1.00 0.00 H new ATOM 0 HG23 THR A 75 -0.937 -15.865 -10.905 1.00 0.00 H new ATOM 1262 N ASP A 76 -4.709 -14.715 -8.680 1.00 0.00 N ATOM 1263 CA ASP A 76 -5.831 -13.956 -9.221 1.00 0.00 C ATOM 1264 C ASP A 76 -5.962 -12.614 -8.540 1.00 0.00 C ATOM 1265 O ASP A 76 -6.198 -11.576 -9.178 1.00 0.00 O ATOM 1266 CB ASP A 76 -7.139 -14.785 -9.113 1.00 0.00 C ATOM 1267 CG ASP A 76 -7.481 -15.696 -10.301 1.00 0.00 C ATOM 1268 OD1 ASP A 76 -6.718 -16.552 -10.726 1.00 0.00 O ATOM 1269 OD2 ASP A 76 -8.729 -15.461 -10.807 1.00 0.00 O ATOM 0 H ASP A 76 -4.972 -15.379 -7.952 1.00 0.00 H new ATOM 0 HA ASP A 76 -5.641 -13.759 -10.276 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -7.076 -15.403 -8.218 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -7.968 -14.093 -8.965 1.00 0.00 H new ATOM 1274 N ASP A 77 -5.830 -12.610 -7.227 1.00 0.00 N ATOM 1275 CA ASP A 77 -5.900 -11.376 -6.448 1.00 0.00 C ATOM 1276 C ASP A 77 -4.697 -10.490 -6.687 1.00 0.00 C ATOM 1277 O ASP A 77 -4.694 -9.305 -6.281 1.00 0.00 O ATOM 1278 CB ASP A 77 -6.078 -11.703 -4.942 1.00 0.00 C ATOM 1279 CG ASP A 77 -7.521 -11.843 -4.434 1.00 0.00 C ATOM 1280 OD1 ASP A 77 -8.287 -10.896 -4.336 1.00 0.00 O ATOM 1281 OD2 ASP A 77 -7.852 -13.133 -4.124 1.00 0.00 O ATOM 0 H ASP A 77 -5.673 -13.450 -6.670 1.00 0.00 H new ATOM 0 HA ASP A 77 -6.772 -10.814 -6.783 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -5.551 -12.633 -4.731 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -5.588 -10.920 -4.363 1.00 0.00 H new ATOM 1286 N GLN A 78 -3.651 -10.998 -7.308 1.00 0.00 N ATOM 1287 CA GLN A 78 -2.436 -10.213 -7.541 1.00 0.00 C ATOM 1288 C GLN A 78 -2.581 -9.342 -8.766 1.00 0.00 C ATOM 1289 O GLN A 78 -2.723 -9.822 -9.899 1.00 0.00 O ATOM 1290 CB GLN A 78 -1.241 -11.180 -7.690 1.00 0.00 C ATOM 1291 CG GLN A 78 0.006 -10.624 -8.454 1.00 0.00 C ATOM 1292 CD GLN A 78 0.497 -11.349 -9.713 1.00 0.00 C ATOM 1293 OE1 GLN A 78 1.688 -11.441 -9.965 1.00 0.00 O ATOM 1294 NE2 GLN A 78 -0.368 -11.862 -10.550 1.00 0.00 N ATOM 0 H GLN A 78 -3.610 -11.953 -7.664 1.00 0.00 H new ATOM 0 HA GLN A 78 -2.264 -9.550 -6.693 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -0.923 -11.488 -6.694 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -1.587 -12.076 -8.205 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -0.213 -9.593 -8.733 1.00 0.00 H new ATOM 0 HG3 GLN A 78 0.836 -10.593 -7.748 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -1.367 -11.795 -10.356 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -0.043 -12.329 -11.397 1.00 0.00 H new ATOM 1303 N ASP A 79 -2.551 -8.040 -8.553 1.00 0.00 N ATOM 1304 CA ASP A 79 -2.732 -7.065 -9.623 1.00 0.00 C ATOM 1305 C ASP A 79 -1.808 -5.885 -9.447 1.00 0.00 C ATOM 1306 O ASP A 79 -1.030 -5.787 -8.487 1.00 0.00 O ATOM 1307 CB ASP A 79 -4.218 -6.621 -9.696 1.00 0.00 C ATOM 1308 CG ASP A 79 -5.278 -7.687 -9.384 1.00 0.00 C ATOM 1309 OD1 ASP A 79 -5.627 -8.425 -10.481 1.00 0.00 O ATOM 1310 OD2 ASP A 79 -5.767 -7.836 -8.274 1.00 0.00 O ATOM 0 H ASP A 79 -2.401 -7.624 -7.634 1.00 0.00 H new ATOM 0 HA ASP A 79 -2.472 -7.537 -10.571 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -4.358 -5.791 -9.004 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -4.408 -6.237 -10.698 1.00 0.00 H new ATOM 1315 N ILE A 80 -1.856 -4.969 -10.397 1.00 0.00 N ATOM 1316 CA ILE A 80 -1.137 -3.701 -10.273 1.00 0.00 C ATOM 1317 C ILE A 80 -2.103 -2.606 -9.875 1.00 0.00 C ATOM 1318 O ILE A 80 -3.304 -2.653 -10.201 1.00 0.00 O ATOM 1319 CB ILE A 80 -0.305 -3.390 -11.585 1.00 0.00 C ATOM 1320 CG1 ILE A 80 0.745 -4.489 -11.953 1.00 0.00 C ATOM 1321 CG2 ILE A 80 0.432 -2.017 -11.534 1.00 0.00 C ATOM 1322 CD1 ILE A 80 0.923 -4.774 -13.459 1.00 0.00 C ATOM 0 H ILE A 80 -2.383 -5.073 -11.264 1.00 0.00 H new ATOM 0 HA ILE A 80 -0.396 -3.766 -9.476 1.00 0.00 H new ATOM 0 HB ILE A 80 -1.072 -3.367 -12.360 1.00 0.00 H new ATOM 0 HG12 ILE A 80 1.710 -4.194 -11.542 1.00 0.00 H new ATOM 0 HG13 ILE A 80 0.459 -5.417 -11.459 1.00 0.00 H new ATOM 0 HG21 ILE A 80 0.983 -1.865 -12.462 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -0.298 -1.217 -11.410 1.00 0.00 H new ATOM 0 HG23 ILE A 80 1.127 -2.008 -10.694 1.00 0.00 H new ATOM 0 HD11 ILE A 80 1.674 -5.552 -13.596 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -0.025 -5.107 -13.881 1.00 0.00 H new ATOM 0 HD13 ILE A 80 1.246 -3.865 -13.966 1.00 0.00 H new ATOM 1334 N TYR A 81 -1.629 -1.617 -9.144 1.00 0.00 N ATOM 1335 CA TYR A 81 -2.490 -0.601 -8.543 1.00 0.00 C ATOM 1336 C TYR A 81 -1.861 0.766 -8.641 1.00 0.00 C ATOM 1337 O TYR A 81 -0.710 0.931 -9.074 1.00 0.00 O ATOM 1338 CB TYR A 81 -2.731 -0.931 -7.036 1.00 0.00 C ATOM 1339 CG TYR A 81 -3.207 -2.357 -6.737 1.00 0.00 C ATOM 1340 CD1 TYR A 81 -2.317 -3.432 -6.800 1.00 0.00 C ATOM 1341 CD2 TYR A 81 -4.540 -2.583 -6.387 1.00 0.00 C ATOM 1342 CE1 TYR A 81 -2.734 -4.705 -6.417 1.00 0.00 C ATOM 1343 CE2 TYR A 81 -4.955 -3.856 -6.004 1.00 0.00 C ATOM 1344 CZ TYR A 81 -4.049 -4.913 -6.011 1.00 0.00 C ATOM 1345 OH TYR A 81 -4.450 -6.161 -5.627 1.00 0.00 O ATOM 0 H TYR A 81 -0.637 -1.489 -8.946 1.00 0.00 H new ATOM 0 HA TYR A 81 -3.435 -0.601 -9.085 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -1.803 -0.755 -6.491 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -3.469 -0.231 -6.643 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -1.306 -3.276 -7.146 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -5.250 -1.770 -6.413 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -2.037 -5.530 -6.435 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -5.978 -4.023 -5.702 1.00 0.00 H new ATOM 0 HH TYR A 81 -3.664 -6.703 -5.405 1.00 0.00 H new ATOM 1355 N LYS A 82 -2.616 1.780 -8.262 1.00 0.00 N ATOM 1356 CA LYS A 82 -2.091 3.140 -8.176 1.00 0.00 C ATOM 1357 C LYS A 82 -2.831 3.936 -7.128 1.00 0.00 C ATOM 1358 O LYS A 82 -4.059 4.102 -7.176 1.00 0.00 O ATOM 1359 CB LYS A 82 -2.187 3.824 -9.568 1.00 0.00 C ATOM 1360 CG LYS A 82 -1.291 5.080 -9.699 1.00 0.00 C ATOM 1361 CD LYS A 82 -1.572 5.945 -10.930 1.00 0.00 C ATOM 1362 CE LYS A 82 -3.003 6.494 -10.846 1.00 0.00 C ATOM 1363 NZ LYS A 82 -3.164 7.590 -11.818 1.00 0.00 N ATOM 0 H LYS A 82 -3.600 1.692 -8.007 1.00 0.00 H new ATOM 0 HA LYS A 82 -1.044 3.099 -7.877 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -1.907 3.105 -10.338 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -3.223 4.105 -9.756 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -1.416 5.693 -8.806 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -0.248 4.764 -9.725 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -0.857 6.766 -10.983 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -1.449 5.356 -11.839 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -3.721 5.701 -11.053 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -3.208 6.854 -9.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -4.133 7.963 -11.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -2.487 8.349 -11.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -2.985 7.232 -12.778 1.00 0.00 H new ATOM 1377 N VAL A 83 -2.094 4.447 -6.160 1.00 0.00 N ATOM 1378 CA VAL A 83 -2.694 5.118 -5.009 1.00 0.00 C ATOM 1379 C VAL A 83 -2.702 6.617 -5.196 1.00 0.00 C ATOM 1380 O VAL A 83 -1.663 7.290 -5.251 1.00 0.00 O ATOM 1381 CB VAL A 83 -1.920 4.708 -3.693 1.00 0.00 C ATOM 1382 CG1 VAL A 83 -0.381 4.917 -3.703 1.00 0.00 C ATOM 1383 CG2 VAL A 83 -2.421 5.430 -2.418 1.00 0.00 C ATOM 0 H VAL A 83 -1.075 4.413 -6.143 1.00 0.00 H new ATOM 0 HA VAL A 83 -3.733 4.800 -4.917 1.00 0.00 H new ATOM 0 HB VAL A 83 -2.141 3.641 -3.674 1.00 0.00 H new ATOM 0 HG11 VAL A 83 0.035 4.600 -2.747 1.00 0.00 H new ATOM 0 HG12 VAL A 83 0.061 4.326 -4.505 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -0.158 5.972 -3.864 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -1.840 5.095 -1.558 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -2.302 6.507 -2.539 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.474 5.197 -2.258 1.00 0.00 H new ATOM 1393 N SER A 84 -3.898 7.176 -5.275 1.00 0.00 N ATOM 1394 CA SER A 84 -4.110 8.610 -5.444 1.00 0.00 C ATOM 1395 C SER A 84 -4.970 9.150 -4.324 1.00 0.00 C ATOM 1396 O SER A 84 -6.169 8.853 -4.222 1.00 0.00 O ATOM 1397 CB SER A 84 -4.717 8.917 -6.836 1.00 0.00 C ATOM 1398 OG SER A 84 -5.358 7.782 -7.427 1.00 0.00 O ATOM 0 H SER A 84 -4.765 6.641 -5.223 1.00 0.00 H new ATOM 0 HA SER A 84 -3.146 9.115 -5.395 1.00 0.00 H new ATOM 0 HB2 SER A 84 -5.440 9.727 -6.741 1.00 0.00 H new ATOM 0 HB3 SER A 84 -3.928 9.270 -7.501 1.00 0.00 H new ATOM 0 HG SER A 84 -5.724 8.031 -8.301 1.00 0.00 H new ATOM 1404 N ILE A 85 -4.371 9.962 -3.474 1.00 0.00 N ATOM 1405 CA ILE A 85 -5.045 10.435 -2.262 1.00 0.00 C ATOM 1406 C ILE A 85 -5.034 11.946 -2.225 1.00 0.00 C ATOM 1407 O ILE A 85 -3.949 12.573 -2.311 1.00 0.00 O ATOM 1408 CB ILE A 85 -4.429 9.755 -0.971 1.00 0.00 C ATOM 1409 CG1 ILE A 85 -3.840 8.318 -1.208 1.00 0.00 C ATOM 1410 CG2 ILE A 85 -5.440 9.693 0.217 1.00 0.00 C ATOM 1411 CD1 ILE A 85 -2.588 7.956 -0.387 1.00 0.00 C ATOM 0 H ILE A 85 -3.420 10.312 -3.593 1.00 0.00 H new ATOM 0 HA ILE A 85 -6.092 10.132 -2.277 1.00 0.00 H new ATOM 0 HB ILE A 85 -3.599 10.413 -0.714 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -4.618 7.587 -0.987 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -3.598 8.216 -2.266 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -4.965 9.217 1.075 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -5.747 10.703 0.486 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -6.315 9.115 -0.080 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -2.272 6.942 -0.633 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -1.784 8.654 -0.622 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -2.821 8.015 0.676 1.00 0.00 H new ATOM 1423 N TYR A 86 -6.173 12.596 -2.100 1.00 0.00 N ATOM 1424 CA TYR A 86 -6.290 14.038 -2.313 1.00 0.00 C ATOM 1425 C TYR A 86 -6.759 14.769 -1.077 1.00 0.00 C ATOM 1426 O TYR A 86 -6.991 14.194 -0.005 1.00 0.00 O ATOM 1427 CB TYR A 86 -7.313 14.318 -3.459 1.00 0.00 C ATOM 1428 CG TYR A 86 -7.159 13.464 -4.725 1.00 0.00 C ATOM 1429 CD1 TYR A 86 -7.208 12.069 -4.634 1.00 0.00 C ATOM 1430 CD2 TYR A 86 -6.963 14.067 -5.970 1.00 0.00 C ATOM 1431 CE1 TYR A 86 -7.111 11.289 -5.782 1.00 0.00 C ATOM 1432 CE2 TYR A 86 -6.868 13.284 -7.118 1.00 0.00 C ATOM 1433 CZ TYR A 86 -6.943 11.897 -7.023 1.00 0.00 C ATOM 1434 OH TYR A 86 -6.855 11.133 -8.152 1.00 0.00 O ATOM 0 H TYR A 86 -7.052 12.144 -1.847 1.00 0.00 H new ATOM 0 HA TYR A 86 -5.295 14.401 -2.571 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -8.318 14.170 -3.065 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -7.233 15.368 -3.741 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -7.321 11.596 -3.670 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -6.885 15.142 -6.042 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -7.166 10.213 -5.710 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -6.736 13.753 -8.082 1.00 0.00 H new ATOM 0 HH TYR A 86 -6.741 11.715 -8.932 1.00 0.00 H new ATOM 1444 N ASP A 87 -6.885 16.081 -1.211 1.00 0.00 N ATOM 1445 CA ASP A 87 -7.334 16.947 -0.125 1.00 0.00 C ATOM 1446 C ASP A 87 -8.801 17.277 -0.277 1.00 0.00 C ATOM 1447 O ASP A 87 -9.537 16.672 -1.069 1.00 0.00 O ATOM 1448 CB ASP A 87 -6.447 18.221 -0.044 1.00 0.00 C ATOM 1449 CG ASP A 87 -6.471 19.167 -1.254 1.00 0.00 C ATOM 1450 OD1 ASP A 87 -5.929 18.607 -2.376 1.00 0.00 O ATOM 1451 OD2 ASP A 87 -6.907 20.308 -1.199 1.00 0.00 O ATOM 0 H ASP A 87 -6.679 16.579 -2.077 1.00 0.00 H new ATOM 0 HA ASP A 87 -7.224 16.416 0.821 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -6.750 18.789 0.836 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -5.416 17.906 0.119 1.00 0.00 H new ATOM 1456 N THR A 88 -9.252 18.238 0.511 1.00 0.00 N ATOM 1457 CA THR A 88 -10.651 18.654 0.506 1.00 0.00 C ATOM 1458 C THR A 88 -11.050 19.224 -0.835 1.00 0.00 C ATOM 1459 O THR A 88 -12.199 19.081 -1.288 1.00 0.00 O ATOM 1460 CB THR A 88 -10.918 19.693 1.647 1.00 0.00 C ATOM 1461 OG1 THR A 88 -10.803 21.020 1.150 1.00 0.00 O ATOM 1462 CG2 THR A 88 -9.956 19.648 2.854 1.00 0.00 C ATOM 0 H THR A 88 -8.666 18.751 1.170 1.00 0.00 H new ATOM 0 HA THR A 88 -11.263 17.771 0.688 1.00 0.00 H new ATOM 0 HB THR A 88 -11.917 19.418 1.986 1.00 0.00 H new ATOM 0 HG1 THR A 88 -10.974 21.657 1.875 1.00 0.00 H new ATOM 0 HG21 THR A 88 -10.242 20.413 3.576 1.00 0.00 H new ATOM 0 HG22 THR A 88 -10.009 18.667 3.325 1.00 0.00 H new ATOM 0 HG23 THR A 88 -8.937 19.833 2.514 1.00 0.00 H new ATOM 1470 N LYS A 89 -10.125 19.898 -1.493 1.00 0.00 N ATOM 1471 CA LYS A 89 -10.424 20.609 -2.734 1.00 0.00 C ATOM 1472 C LYS A 89 -10.173 19.759 -3.960 1.00 0.00 C ATOM 1473 O LYS A 89 -10.117 20.288 -5.094 1.00 0.00 O ATOM 1474 CB LYS A 89 -9.573 21.910 -2.792 1.00 0.00 C ATOM 1475 CG LYS A 89 -10.004 22.982 -1.760 1.00 0.00 C ATOM 1476 CD LYS A 89 -8.864 23.551 -0.910 1.00 0.00 C ATOM 1477 CE LYS A 89 -7.831 24.216 -1.828 1.00 0.00 C ATOM 1478 NZ LYS A 89 -7.068 25.218 -1.063 1.00 0.00 N ATOM 0 H LYS A 89 -9.153 19.971 -1.191 1.00 0.00 H new ATOM 0 HA LYS A 89 -11.486 20.855 -2.736 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -8.526 21.657 -2.624 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -9.642 22.334 -3.794 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -10.488 23.803 -2.290 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -10.751 22.547 -1.096 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -9.254 24.277 -0.197 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -8.395 22.756 -0.331 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -7.156 23.465 -2.238 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -8.331 24.691 -2.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -6.367 25.670 -1.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -7.718 25.940 -0.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -6.580 24.752 -0.272 1.00 0.00 H new ATOM 1492 N GLY A 90 -10.035 18.456 -3.814 1.00 0.00 N ATOM 1493 CA GLY A 90 -9.922 17.556 -4.963 1.00 0.00 C ATOM 1494 C GLY A 90 -8.594 17.681 -5.668 1.00 0.00 C ATOM 1495 O GLY A 90 -8.470 17.357 -6.869 1.00 0.00 O ATOM 0 H GLY A 90 -9.997 17.987 -2.909 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -10.057 16.527 -4.629 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -10.725 17.770 -5.668 1.00 0.00 H new ATOM 1499 N LYS A 91 -7.571 18.152 -4.982 1.00 0.00 N ATOM 1500 CA LYS A 91 -6.219 18.184 -5.536 1.00 0.00 C ATOM 1501 C LYS A 91 -5.465 16.918 -5.210 1.00 0.00 C ATOM 1502 O LYS A 91 -5.318 16.540 -4.033 1.00 0.00 O ATOM 1503 CB LYS A 91 -5.462 19.424 -4.977 1.00 0.00 C ATOM 1504 CG LYS A 91 -5.864 20.758 -5.652 1.00 0.00 C ATOM 1505 CD LYS A 91 -4.725 21.497 -6.360 1.00 0.00 C ATOM 1506 CE LYS A 91 -3.446 21.388 -5.519 1.00 0.00 C ATOM 1507 NZ LYS A 91 -2.391 22.222 -6.122 1.00 0.00 N ATOM 0 H LYS A 91 -7.645 18.521 -4.034 1.00 0.00 H new ATOM 0 HA LYS A 91 -6.288 18.257 -6.621 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -5.648 19.499 -3.906 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -4.390 19.272 -5.104 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -6.652 20.557 -6.378 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -6.288 21.417 -4.895 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -4.560 21.071 -7.350 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -4.990 22.544 -6.504 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -3.641 21.712 -4.497 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -3.119 20.350 -5.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -1.523 22.149 -5.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -2.199 21.893 -7.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -2.705 23.213 -6.149 1.00 0.00 H new ATOM 1521 N ASN A 92 -4.948 16.248 -6.222 1.00 0.00 N ATOM 1522 CA ASN A 92 -4.071 15.097 -6.005 1.00 0.00 C ATOM 1523 C ASN A 92 -2.775 15.538 -5.363 1.00 0.00 C ATOM 1524 O ASN A 92 -1.784 15.851 -6.039 1.00 0.00 O ATOM 1525 CB ASN A 92 -3.800 14.364 -7.351 1.00 0.00 C ATOM 1526 CG ASN A 92 -3.988 15.156 -8.649 1.00 0.00 C ATOM 1527 OD1 ASN A 92 -5.029 15.121 -9.289 1.00 0.00 O ATOM 1528 ND2 ASN A 92 -2.994 15.873 -9.099 1.00 0.00 N ATOM 0 H ASN A 92 -5.115 16.474 -7.202 1.00 0.00 H new ATOM 0 HA ASN A 92 -4.567 14.400 -5.329 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -2.775 13.995 -7.330 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -4.452 13.492 -7.394 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -3.094 16.392 -9.971 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -2.118 15.914 -8.578 1.00 0.00 H new ATOM 1535 N VAL A 93 -2.762 15.568 -4.044 1.00 0.00 N ATOM 1536 CA VAL A 93 -1.630 16.110 -3.290 1.00 0.00 C ATOM 1537 C VAL A 93 -0.531 15.087 -3.085 1.00 0.00 C ATOM 1538 O VAL A 93 0.657 15.407 -2.950 1.00 0.00 O ATOM 1539 CB VAL A 93 -2.136 16.661 -1.899 1.00 0.00 C ATOM 1540 CG1 VAL A 93 -3.355 17.623 -1.939 1.00 0.00 C ATOM 1541 CG2 VAL A 93 -2.524 15.552 -0.890 1.00 0.00 C ATOM 0 H VAL A 93 -3.525 15.222 -3.462 1.00 0.00 H new ATOM 0 HA VAL A 93 -1.200 16.923 -3.875 1.00 0.00 H new ATOM 0 HB VAL A 93 -1.251 17.213 -1.583 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -3.608 17.933 -0.925 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -3.106 18.501 -2.535 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -4.208 17.111 -2.385 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -2.861 16.009 0.041 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -3.327 14.944 -1.308 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -1.657 14.921 -0.691 1.00 0.00 H new ATOM 1551 N LEU A 94 -0.931 13.829 -3.083 1.00 0.00 N ATOM 1552 CA LEU A 94 -0.001 12.710 -2.981 1.00 0.00 C ATOM 1553 C LEU A 94 -0.416 11.599 -3.920 1.00 0.00 C ATOM 1554 O LEU A 94 -1.602 11.305 -4.122 1.00 0.00 O ATOM 1555 CB LEU A 94 0.111 12.245 -1.495 1.00 0.00 C ATOM 1556 CG LEU A 94 0.759 10.880 -1.125 1.00 0.00 C ATOM 1557 CD1 LEU A 94 0.491 10.583 0.366 1.00 0.00 C ATOM 1558 CD2 LEU A 94 0.274 9.694 -1.970 1.00 0.00 C ATOM 0 H LEU A 94 -1.910 13.550 -3.152 1.00 0.00 H new ATOM 0 HA LEU A 94 0.996 13.024 -3.291 1.00 0.00 H new ATOM 0 HB2 LEU A 94 0.666 13.016 -0.961 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -0.899 12.239 -1.086 1.00 0.00 H new ATOM 0 HG LEU A 94 1.824 10.983 -1.334 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.942 9.627 0.633 1.00 0.00 H new ATOM 0 HD12 LEU A 94 0.925 11.373 0.978 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.584 10.538 0.541 1.00 0.00 H new ATOM 0 HD21 LEU A 94 0.778 8.784 -1.643 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -0.803 9.576 -1.848 1.00 0.00 H new ATOM 0 HD23 LEU A 94 0.502 9.878 -3.020 1.00 0.00 H new ATOM 1570 N GLU A 95 0.585 10.948 -4.496 1.00 0.00 N ATOM 1571 CA GLU A 95 0.352 9.962 -5.546 1.00 0.00 C ATOM 1572 C GLU A 95 1.518 9.010 -5.678 1.00 0.00 C ATOM 1573 O GLU A 95 2.676 9.351 -5.400 1.00 0.00 O ATOM 1574 CB GLU A 95 0.094 10.720 -6.880 1.00 0.00 C ATOM 1575 CG GLU A 95 0.234 9.909 -8.210 1.00 0.00 C ATOM 1576 CD GLU A 95 1.110 10.488 -9.325 1.00 0.00 C ATOM 1577 OE1 GLU A 95 2.320 10.636 -9.212 1.00 0.00 O ATOM 1578 OE2 GLU A 95 0.418 10.820 -10.450 1.00 0.00 O ATOM 0 H GLU A 95 1.567 11.084 -4.255 1.00 0.00 H new ATOM 0 HA GLU A 95 -0.518 9.357 -5.290 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -0.914 11.133 -6.843 1.00 0.00 H new ATOM 0 HB3 GLU A 95 0.783 11.563 -6.926 1.00 0.00 H new ATOM 0 HG2 GLU A 95 0.625 8.923 -7.959 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -0.767 9.761 -8.616 1.00 0.00 H new ATOM 1585 N LYS A 96 1.224 7.804 -6.132 1.00 0.00 N ATOM 1586 CA LYS A 96 2.235 6.763 -6.288 1.00 0.00 C ATOM 1587 C LYS A 96 1.653 5.539 -6.956 1.00 0.00 C ATOM 1588 O LYS A 96 0.454 5.244 -6.856 1.00 0.00 O ATOM 1589 CB LYS A 96 2.829 6.406 -4.898 1.00 0.00 C ATOM 1590 CG LYS A 96 4.159 7.137 -4.589 1.00 0.00 C ATOM 1591 CD LYS A 96 5.355 6.218 -4.324 1.00 0.00 C ATOM 1592 CE LYS A 96 6.591 7.074 -4.016 1.00 0.00 C ATOM 1593 NZ LYS A 96 7.328 7.336 -5.265 1.00 0.00 N ATOM 0 H LYS A 96 0.284 7.516 -6.403 1.00 0.00 H new ATOM 0 HA LYS A 96 3.032 7.138 -6.930 1.00 0.00 H new ATOM 0 HB2 LYS A 96 2.100 6.652 -4.126 1.00 0.00 H new ATOM 0 HB3 LYS A 96 2.995 5.330 -4.848 1.00 0.00 H new ATOM 0 HG2 LYS A 96 4.401 7.790 -5.427 1.00 0.00 H new ATOM 0 HG3 LYS A 96 4.011 7.776 -3.719 1.00 0.00 H new ATOM 0 HD2 LYS A 96 5.140 5.554 -3.487 1.00 0.00 H new ATOM 0 HD3 LYS A 96 5.543 5.586 -5.192 1.00 0.00 H new ATOM 0 HE2 LYS A 96 6.290 8.014 -3.554 1.00 0.00 H new ATOM 0 HE3 LYS A 96 7.234 6.560 -3.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 8.166 7.916 -5.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 7.627 6.434 -5.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 6.712 7.843 -5.932 1.00 0.00 H new ATOM 1607 N ILE A 97 2.495 4.815 -7.671 1.00 0.00 N ATOM 1608 CA ILE A 97 2.074 3.615 -8.390 1.00 0.00 C ATOM 1609 C ILE A 97 2.532 2.369 -7.670 1.00 0.00 C ATOM 1610 O ILE A 97 3.543 2.367 -6.948 1.00 0.00 O ATOM 1611 CB ILE A 97 2.567 3.648 -9.895 1.00 0.00 C ATOM 1612 CG1 ILE A 97 2.871 5.078 -10.447 1.00 0.00 C ATOM 1613 CG2 ILE A 97 1.573 2.951 -10.874 1.00 0.00 C ATOM 1614 CD1 ILE A 97 3.639 5.136 -11.784 1.00 0.00 C ATOM 0 H ILE A 97 3.486 5.036 -7.773 1.00 0.00 H new ATOM 0 HA ILE A 97 0.984 3.594 -8.413 1.00 0.00 H new ATOM 0 HB ILE A 97 3.504 3.092 -9.857 1.00 0.00 H new ATOM 0 HG12 ILE A 97 1.926 5.607 -10.570 1.00 0.00 H new ATOM 0 HG13 ILE A 97 3.445 5.621 -9.697 1.00 0.00 H new ATOM 0 HG21 ILE A 97 1.964 3.005 -11.890 1.00 0.00 H new ATOM 0 HG22 ILE A 97 1.452 1.906 -10.587 1.00 0.00 H new ATOM 0 HG23 ILE A 97 0.607 3.453 -10.830 1.00 0.00 H new ATOM 0 HD11 ILE A 97 3.794 6.176 -12.070 1.00 0.00 H new ATOM 0 HD12 ILE A 97 4.605 4.643 -11.671 1.00 0.00 H new ATOM 0 HD13 ILE A 97 3.062 4.629 -12.557 1.00 0.00 H new ATOM 1626 N PHE A 98 1.791 1.288 -7.825 1.00 0.00 N ATOM 1627 CA PHE A 98 2.085 0.047 -7.111 1.00 0.00 C ATOM 1628 C PHE A 98 2.001 -1.145 -8.035 1.00 0.00 C ATOM 1629 O PHE A 98 1.489 -1.057 -9.164 1.00 0.00 O ATOM 1630 CB PHE A 98 1.070 -0.146 -5.944 1.00 0.00 C ATOM 1631 CG PHE A 98 1.552 0.259 -4.543 1.00 0.00 C ATOM 1632 CD1 PHE A 98 2.248 -0.642 -3.733 1.00 0.00 C ATOM 1633 CD2 PHE A 98 1.302 1.555 -4.076 1.00 0.00 C ATOM 1634 CE1 PHE A 98 2.709 -0.243 -2.480 1.00 0.00 C ATOM 1635 CE2 PHE A 98 1.752 1.947 -2.820 1.00 0.00 C ATOM 1636 CZ PHE A 98 2.470 1.053 -2.029 1.00 0.00 C ATOM 0 H PHE A 98 0.978 1.238 -8.439 1.00 0.00 H new ATOM 0 HA PHE A 98 3.099 0.118 -6.718 1.00 0.00 H new ATOM 0 HB2 PHE A 98 0.172 0.427 -6.175 1.00 0.00 H new ATOM 0 HB3 PHE A 98 0.779 -1.196 -5.915 1.00 0.00 H new ATOM 0 HD1 PHE A 98 2.429 -1.649 -4.079 1.00 0.00 H new ATOM 0 HD2 PHE A 98 0.757 2.253 -4.694 1.00 0.00 H new ATOM 0 HE1 PHE A 98 3.252 -0.939 -1.858 1.00 0.00 H new ATOM 0 HE2 PHE A 98 1.545 2.943 -2.458 1.00 0.00 H new ATOM 0 HZ PHE A 98 2.842 1.365 -1.064 1.00 0.00 H new ATOM 1646 N ASP A 99 2.513 -2.279 -7.594 1.00 0.00 N ATOM 1647 CA ASP A 99 2.467 -3.508 -8.384 1.00 0.00 C ATOM 1648 C ASP A 99 2.405 -4.728 -7.495 1.00 0.00 C ATOM 1649 O ASP A 99 3.442 -5.309 -7.122 1.00 0.00 O ATOM 1650 CB ASP A 99 3.677 -3.571 -9.355 1.00 0.00 C ATOM 1651 CG ASP A 99 3.640 -2.639 -10.575 1.00 0.00 C ATOM 1652 OD1 ASP A 99 3.952 -1.458 -10.521 1.00 0.00 O ATOM 1653 OD2 ASP A 99 3.250 -3.277 -11.719 1.00 0.00 O ATOM 0 H ASP A 99 2.970 -2.380 -6.688 1.00 0.00 H new ATOM 0 HA ASP A 99 1.555 -3.499 -8.981 1.00 0.00 H new ATOM 0 HB2 ASP A 99 4.580 -3.349 -8.786 1.00 0.00 H new ATOM 0 HB3 ASP A 99 3.770 -4.596 -9.714 1.00 0.00 H new ATOM 1658 N LEU A 100 1.208 -5.166 -7.154 1.00 0.00 N ATOM 1659 CA LEU A 100 1.035 -6.371 -6.343 1.00 0.00 C ATOM 1660 C LEU A 100 1.497 -7.595 -7.098 1.00 0.00 C ATOM 1661 O LEU A 100 1.048 -7.881 -8.219 1.00 0.00 O ATOM 1662 CB LEU A 100 -0.445 -6.512 -5.892 1.00 0.00 C ATOM 1663 CG LEU A 100 -0.770 -6.713 -4.388 1.00 0.00 C ATOM 1664 CD1 LEU A 100 -0.992 -8.192 -4.025 1.00 0.00 C ATOM 1665 CD2 LEU A 100 0.338 -6.124 -3.505 1.00 0.00 C ATOM 0 H LEU A 100 0.336 -4.710 -7.423 1.00 0.00 H new ATOM 0 HA LEU A 100 1.653 -6.281 -5.450 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -0.974 -5.619 -6.224 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -0.873 -7.355 -6.434 1.00 0.00 H new ATOM 0 HG LEU A 100 -1.703 -6.182 -4.201 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -1.216 -8.276 -2.962 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -1.827 -8.587 -4.604 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -0.091 -8.762 -4.252 1.00 0.00 H new ATOM 0 HD21 LEU A 100 0.087 -6.277 -2.455 1.00 0.00 H new ATOM 0 HD22 LEU A 100 1.283 -6.619 -3.728 1.00 0.00 H new ATOM 0 HD23 LEU A 100 0.432 -5.056 -3.703 1.00 0.00 H new ATOM 1677 N LYS A 101 2.390 -8.355 -6.491 1.00 0.00 N ATOM 1678 CA LYS A 101 3.028 -9.484 -7.160 1.00 0.00 C ATOM 1679 C LYS A 101 2.870 -10.771 -6.380 1.00 0.00 C ATOM 1680 O LYS A 101 2.487 -10.796 -5.202 1.00 0.00 O ATOM 1681 CB LYS A 101 4.540 -9.174 -7.365 1.00 0.00 C ATOM 1682 CG LYS A 101 4.816 -7.932 -8.247 1.00 0.00 C ATOM 1683 CD LYS A 101 5.618 -8.209 -9.522 1.00 0.00 C ATOM 1684 CE LYS A 101 4.845 -7.668 -10.732 1.00 0.00 C ATOM 1685 NZ LYS A 101 5.393 -8.257 -11.967 1.00 0.00 N ATOM 0 H LYS A 101 2.695 -8.213 -5.528 1.00 0.00 H new ATOM 0 HA LYS A 101 2.537 -9.624 -8.123 1.00 0.00 H new ATOM 0 HB2 LYS A 101 5.005 -9.025 -6.390 1.00 0.00 H new ATOM 0 HB3 LYS A 101 5.020 -10.042 -7.818 1.00 0.00 H new ATOM 0 HG2 LYS A 101 3.862 -7.484 -8.526 1.00 0.00 H new ATOM 0 HG3 LYS A 101 5.353 -7.194 -7.651 1.00 0.00 H new ATOM 0 HD2 LYS A 101 6.598 -7.735 -9.460 1.00 0.00 H new ATOM 0 HD3 LYS A 101 5.788 -9.280 -9.633 1.00 0.00 H new ATOM 0 HE2 LYS A 101 3.786 -7.911 -10.639 1.00 0.00 H new ATOM 0 HE3 LYS A 101 4.921 -6.581 -10.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 4.870 -7.891 -12.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 6.398 -8.004 -12.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 5.298 -9.292 -11.930 1.00 0.00 H new ATOM 1699 N ILE A 102 3.174 -11.872 -7.041 1.00 0.00 N ATOM 1700 CA ILE A 102 3.269 -13.180 -6.400 1.00 0.00 C ATOM 1701 C ILE A 102 4.634 -13.782 -6.662 1.00 0.00 C ATOM 1702 O ILE A 102 5.216 -13.638 -7.746 1.00 0.00 O ATOM 1703 CB ILE A 102 2.108 -14.165 -6.829 1.00 0.00 C ATOM 1704 CG1 ILE A 102 0.673 -13.551 -6.744 1.00 0.00 C ATOM 1705 CG2 ILE A 102 2.111 -15.495 -6.011 1.00 0.00 C ATOM 1706 CD1 ILE A 102 0.014 -13.573 -5.349 1.00 0.00 C ATOM 0 H ILE A 102 3.364 -11.889 -8.043 1.00 0.00 H new ATOM 0 HA ILE A 102 3.145 -13.029 -5.328 1.00 0.00 H new ATOM 0 HB ILE A 102 2.333 -14.367 -7.876 1.00 0.00 H new ATOM 0 HG12 ILE A 102 0.720 -12.517 -7.086 1.00 0.00 H new ATOM 0 HG13 ILE A 102 0.027 -14.088 -7.439 1.00 0.00 H new ATOM 0 HG21 ILE A 102 1.293 -16.132 -6.348 1.00 0.00 H new ATOM 0 HG22 ILE A 102 3.059 -16.012 -6.161 1.00 0.00 H new ATOM 0 HG23 ILE A 102 1.983 -15.271 -4.952 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -0.977 -13.123 -5.408 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -0.075 -14.603 -5.005 1.00 0.00 H new ATOM 0 HD13 ILE A 102 0.628 -13.008 -4.648 1.00 0.00 H new ATOM 1718 N GLN A 103 5.143 -14.491 -5.674 1.00 0.00 N ATOM 1719 CA GLN A 103 6.514 -14.994 -5.705 1.00 0.00 C ATOM 1720 C GLN A 103 6.537 -16.485 -5.438 1.00 0.00 C ATOM 1721 O GLN A 103 7.122 -17.027 -4.493 1.00 0.00 O ATOM 1722 CB GLN A 103 7.350 -14.192 -4.684 1.00 0.00 C ATOM 1723 CG GLN A 103 8.708 -14.796 -4.208 1.00 0.00 C ATOM 1724 CD GLN A 103 9.481 -14.109 -3.076 1.00 0.00 C ATOM 1725 OE1 GLN A 103 9.742 -12.918 -3.122 1.00 0.00 O ATOM 1726 NE2 GLN A 103 9.896 -14.808 -2.050 1.00 0.00 N ATOM 0 H GLN A 103 4.627 -14.737 -4.829 1.00 0.00 H new ATOM 0 HA GLN A 103 6.953 -14.855 -6.693 1.00 0.00 H new ATOM 0 HB2 GLN A 103 7.554 -13.213 -5.117 1.00 0.00 H new ATOM 0 HB3 GLN A 103 6.731 -14.028 -3.802 1.00 0.00 H new ATOM 0 HG2 GLN A 103 8.518 -15.824 -3.898 1.00 0.00 H new ATOM 0 HG3 GLN A 103 9.368 -14.841 -5.074 1.00 0.00 H new ATOM 0 HE21 GLN A 103 9.687 -15.805 -1.994 1.00 0.00 H new ATOM 0 HE22 GLN A 103 10.428 -14.356 -1.306 1.00 0.00 H new ATOM 1735 N GLU A 104 5.869 -17.195 -6.344 1.00 0.00 N ATOM 1736 CA GLU A 104 5.721 -18.642 -6.280 1.00 0.00 C ATOM 1737 C GLU A 104 5.003 -19.159 -7.512 1.00 0.00 C ATOM 1738 O GLU A 104 3.773 -19.197 -7.633 1.00 0.00 O ATOM 1739 CB GLU A 104 4.961 -19.046 -4.988 1.00 0.00 C ATOM 1740 CG GLU A 104 5.131 -20.517 -4.479 1.00 0.00 C ATOM 1741 CD GLU A 104 4.585 -20.869 -3.093 1.00 0.00 C ATOM 1742 OE1 GLU A 104 3.396 -21.058 -2.873 1.00 0.00 O ATOM 1743 OE2 GLU A 104 5.545 -20.952 -2.131 1.00 0.00 O ATOM 0 H GLU A 104 5.411 -16.774 -7.152 1.00 0.00 H new ATOM 0 HA GLU A 104 6.712 -19.094 -6.252 1.00 0.00 H new ATOM 0 HB2 GLU A 104 5.276 -18.375 -4.189 1.00 0.00 H new ATOM 0 HB3 GLU A 104 3.898 -18.868 -5.153 1.00 0.00 H new ATOM 0 HG2 GLU A 104 4.653 -21.177 -5.203 1.00 0.00 H new ATOM 0 HG3 GLU A 104 6.195 -20.752 -4.487 1.00 0.00 H new ATOM 1750 N ARG A 105 5.825 -19.557 -8.480 1.00 0.00 N ATOM 1751 CA ARG A 105 5.350 -20.083 -9.753 1.00 0.00 C ATOM 1752 C ARG A 105 6.310 -21.110 -10.308 1.00 0.00 C ATOM 1753 O ARG A 105 6.317 -21.430 -11.537 1.00 0.00 O ATOM 1754 CB ARG A 105 5.150 -18.906 -10.748 1.00 0.00 C ATOM 1755 CG ARG A 105 3.782 -18.181 -10.642 1.00 0.00 C ATOM 1756 CD ARG A 105 2.624 -19.026 -11.190 1.00 0.00 C ATOM 1757 NE ARG A 105 3.087 -19.713 -12.422 1.00 0.00 N ATOM 1758 CZ ARG A 105 3.248 -19.143 -13.609 1.00 0.00 C ATOM 1759 NH1 ARG A 105 3.062 -17.879 -13.847 1.00 0.00 N ATOM 1760 NH2 ARG A 105 3.612 -19.898 -14.585 1.00 0.00 N ATOM 1761 OXT ARG A 105 7.093 -21.651 -9.467 1.00 0.00 O ATOM 0 H ARG A 105 6.841 -19.523 -8.401 1.00 0.00 H new ATOM 0 HA ARG A 105 4.395 -20.586 -9.600 1.00 0.00 H new ATOM 0 HB2 ARG A 105 5.944 -18.176 -10.588 1.00 0.00 H new ATOM 0 HB3 ARG A 105 5.265 -19.285 -11.763 1.00 0.00 H new ATOM 0 HG2 ARG A 105 3.585 -17.934 -9.599 1.00 0.00 H new ATOM 0 HG3 ARG A 105 3.830 -17.239 -11.189 1.00 0.00 H new ATOM 0 HD2 ARG A 105 2.302 -19.756 -10.447 1.00 0.00 H new ATOM 0 HD3 ARG A 105 1.764 -18.394 -11.409 1.00 0.00 H new ATOM 0 HE ARG A 105 3.299 -20.708 -12.350 1.00 0.00 H new ATOM 0 HH11 ARG A 105 2.773 -17.255 -13.093 1.00 0.00 H new ATOM 0 HH12 ARG A 105 3.205 -17.511 -14.787 1.00 0.00 H new ATOM 0 HH21 ARG A 105 3.765 -20.894 -14.429 1.00 0.00 H new ATOM 0 HH22 ARG A 105 3.747 -19.500 -15.514 1.00 0.00 H new TER 1775 ARG A 105 HETATM 1776 C1 NAG A 106 -1.273 1.813 8.068 1.00 0.00 C HETATM 1777 C2 NAG A 106 -0.011 0.992 8.452 1.00 0.00 C HETATM 1778 C3 NAG A 106 -0.411 -0.476 8.791 1.00 0.00 C HETATM 1779 C4 NAG A 106 -1.542 -0.546 9.867 1.00 0.00 C HETATM 1780 C5 NAG A 106 -2.752 0.314 9.385 1.00 0.00 C HETATM 1781 C6 NAG A 106 -3.899 0.430 10.406 1.00 0.00 C HETATM 1782 C7 NAG A 106 2.045 1.836 7.332 1.00 0.00 C HETATM 1783 C8 NAG A 106 2.953 1.713 6.110 1.00 0.00 C HETATM 1784 N2 NAG A 106 0.991 1.006 7.352 1.00 0.00 N HETATM 1785 O3 NAG A 106 0.745 -1.169 9.254 1.00 0.00 O HETATM 1786 O4 NAG A 106 -1.982 -1.919 10.113 1.00 0.00 O HETATM 1787 O5 NAG A 106 -2.299 1.666 9.088 1.00 0.00 O HETATM 1788 O6 NAG A 106 -4.763 -0.695 10.328 1.00 0.00 O HETATM 1789 O7 NAG A 106 2.301 2.654 8.219 1.00 0.00 O HETATM 0 HO6 NAG A 106 -5.150 -0.749 9.429 1.00 0.00 H new HETATM 0 HO3 NAG A 106 0.506 -2.094 9.472 1.00 0.00 H new HETATM 0 HN2 NAG A 106 0.871 0.354 6.577 1.00 0.00 H new HETATM 0 H83 NAG A 106 3.356 0.702 6.057 1.00 0.00 H new HETATM 0 H82 NAG A 106 2.379 1.923 5.208 1.00 0.00 H new HETATM 0 H81 NAG A 106 3.773 2.427 6.192 1.00 0.00 H new HETATM 0 H62 NAG A 106 -3.488 0.509 11.413 1.00 0.00 H new HETATM 0 H61 NAG A 106 -4.466 1.342 10.220 1.00 0.00 H new HETATM 0 H5 NAG A 106 -3.142 -0.203 8.508 1.00 0.00 H new HETATM 0 H4 NAG A 106 -1.144 -0.158 10.805 1.00 0.00 H new HETATM 0 H3 NAG A 106 -0.802 -0.943 7.887 1.00 0.00 H new HETATM 0 H2 NAG A 106 0.441 1.453 9.330 1.00 0.00 H new HETATM 1803 C1 NAG A 107 -2.066 -2.340 11.510 1.00 0.00 C HETATM 1804 C2 NAG A 107 -3.031 -3.544 11.693 1.00 0.00 C HETATM 1805 C3 NAG A 107 -2.939 -4.049 13.167 1.00 0.00 C HETATM 1806 C4 NAG A 107 -1.481 -4.344 13.621 1.00 0.00 C HETATM 1807 C5 NAG A 107 -0.555 -3.131 13.302 1.00 0.00 C HETATM 1808 C6 NAG A 107 0.946 -3.413 13.509 1.00 0.00 C HETATM 1809 C7 NAG A 107 -5.021 -3.508 10.201 1.00 0.00 C HETATM 1810 C8 NAG A 107 -6.483 -3.093 10.049 1.00 0.00 C HETATM 1811 N2 NAG A 107 -4.431 -3.164 11.357 1.00 0.00 N HETATM 1812 O3 NAG A 107 -3.694 -5.245 13.302 1.00 0.00 O HETATM 1813 O4 NAG A 107 -1.461 -4.621 15.053 1.00 0.00 O HETATM 1814 O5 NAG A 107 -0.727 -2.740 11.913 1.00 0.00 O HETATM 1815 O6 NAG A 107 1.529 -3.962 12.335 1.00 0.00 O HETATM 1816 O7 NAG A 107 -4.456 -4.118 9.289 1.00 0.00 O HETATM 0 HO6 NAG A 107 0.996 -3.705 11.554 1.00 0.00 H new HETATM 0 HO3 NAG A 107 -3.637 -5.565 14.226 1.00 0.00 H new HETATM 0 HN2 NAG A 107 -4.965 -2.619 12.034 1.00 0.00 H new HETATM 0 H83 NAG A 107 -7.076 -3.552 10.840 1.00 0.00 H new HETATM 0 H82 NAG A 107 -6.562 -2.008 10.119 1.00 0.00 H new HETATM 0 H81 NAG A 107 -6.856 -3.422 9.079 1.00 0.00 H new HETATM 0 H62 NAG A 107 1.459 -2.489 13.776 1.00 0.00 H new HETATM 0 H61 NAG A 107 1.078 -4.104 14.342 1.00 0.00 H new HETATM 0 H5 NAG A 107 -0.851 -2.348 14.000 1.00 0.00 H new HETATM 0 H4 NAG A 107 -1.112 -5.214 13.078 1.00 0.00 H new HETATM 0 H3 NAG A 107 -3.331 -3.250 13.796 1.00 0.00 H new HETATM 0 H2 NAG A 107 -2.737 -4.343 11.013 1.00 0.00 H new HETATM 1830 C1 BMA A 108 -1.200 -5.987 15.471 1.00 0.00 C HETATM 1831 C2 BMA A 108 0.078 -6.048 16.349 1.00 0.00 C HETATM 1832 C3 BMA A 108 0.290 -7.501 16.864 1.00 0.00 C HETATM 1833 C4 BMA A 108 -0.976 -8.053 17.577 1.00 0.00 C HETATM 1834 C5 BMA A 108 -2.247 -7.877 16.690 1.00 0.00 C HETATM 1835 C6 BMA A 108 -3.540 -8.225 17.448 1.00 0.00 C HETATM 1836 O2 BMA A 108 -0.034 -5.143 17.445 1.00 0.00 O HETATM 1837 O3 BMA A 108 1.424 -7.580 17.773 1.00 0.00 O HETATM 1838 O4 BMA A 108 -0.778 -9.433 17.873 1.00 0.00 O HETATM 1839 O5 BMA A 108 -2.345 -6.498 16.216 1.00 0.00 O HETATM 1840 O6 BMA A 108 -4.691 -8.079 16.580 1.00 0.00 O HETATM 0 HO4 BMA A 108 -1.397 -9.708 18.581 1.00 0.00 H new HETATM 0 HO2 BMA A 108 -0.659 -4.424 17.213 1.00 0.00 H new HETATM 0 H62 BMA A 108 -3.486 -9.248 17.821 1.00 0.00 H new HETATM 0 H61 BMA A 108 -3.646 -7.574 18.316 1.00 0.00 H new HETATM 0 H5 BMA A 108 -2.142 -8.565 15.851 1.00 0.00 H new HETATM 0 H4 BMA A 108 -1.132 -7.491 18.498 1.00 0.00 H new HETATM 0 H3 BMA A 108 0.491 -8.114 15.985 1.00 0.00 H new HETATM 0 H2 BMA A 108 0.940 -5.756 15.749 1.00 0.00 H new HETATM 1850 C1 MAN A 109 2.752 -7.752 17.198 1.00 0.00 C HETATM 1851 C2 MAN A 109 3.690 -8.456 18.215 1.00 0.00 C HETATM 1852 C3 MAN A 109 4.082 -7.492 19.369 1.00 0.00 C HETATM 1853 C4 MAN A 109 4.613 -6.128 18.858 1.00 0.00 C HETATM 1854 C5 MAN A 109 3.613 -5.500 17.842 1.00 0.00 C HETATM 1855 C6 MAN A 109 4.135 -4.221 17.159 1.00 0.00 C HETATM 1856 O2 MAN A 109 4.889 -8.897 17.516 1.00 0.00 O HETATM 1857 O3 MAN A 109 5.063 -8.109 20.197 1.00 0.00 O HETATM 1858 O4 MAN A 109 4.806 -5.259 19.970 1.00 0.00 O HETATM 1859 O5 MAN A 109 3.310 -6.466 16.789 1.00 0.00 O HETATM 1860 O6 MAN A 109 4.026 -3.094 18.019 1.00 0.00 O HETATM 0 HO6 MAN A 109 4.366 -2.298 17.560 1.00 0.00 H new HETATM 0 HO4 MAN A 109 4.656 -4.332 19.691 1.00 0.00 H new HETATM 0 HO3 MAN A 109 5.310 -7.498 20.923 1.00 0.00 H new HETATM 0 H62 MAN A 109 5.176 -4.360 16.869 1.00 0.00 H new HETATM 0 H61 MAN A 109 3.571 -4.039 16.244 1.00 0.00 H new HETATM 0 H5 MAN A 109 2.732 -5.233 18.425 1.00 0.00 H new HETATM 0 H4 MAN A 109 5.563 -6.277 18.345 1.00 0.00 H new HETATM 0 H3 MAN A 109 3.176 -7.290 19.940 1.00 0.00 H new HETATM 0 H2 MAN A 109 3.169 -9.309 18.649 1.00 0.00 H new HETATM 1871 C1 MAN A 110 5.596 -10.043 18.067 1.00 0.00 C HETATM 1872 C2 MAN A 110 7.107 -9.728 18.200 1.00 0.00 C HETATM 1873 C3 MAN A 110 7.797 -9.691 16.812 1.00 0.00 C HETATM 1874 C4 MAN A 110 7.501 -10.958 15.969 1.00 0.00 C HETATM 1875 C5 MAN A 110 5.967 -11.225 15.892 1.00 0.00 C HETATM 1876 C6 MAN A 110 5.606 -12.572 15.236 1.00 0.00 C HETATM 1877 O2 MAN A 110 7.711 -10.725 19.019 1.00 0.00 O HETATM 1878 O3 MAN A 110 9.203 -9.539 16.980 1.00 0.00 O HETATM 1879 O4 MAN A 110 8.045 -10.781 14.664 1.00 0.00 O HETATM 1880 O5 MAN A 110 5.389 -11.227 17.236 1.00 0.00 O HETATM 1881 O6 MAN A 110 5.174 -12.399 13.892 1.00 0.00 O HETATM 0 HO6 MAN A 110 4.954 -13.272 13.504 1.00 0.00 H new HETATM 0 HO4 MAN A 110 7.864 -11.578 14.123 1.00 0.00 H new HETATM 0 HO3 MAN A 110 9.637 -9.518 16.102 1.00 0.00 H new HETATM 0 HO2 MAN A 110 8.658 -10.812 18.783 1.00 0.00 H new HETATM 0 H62 MAN A 110 6.473 -13.232 15.258 1.00 0.00 H new HETATM 0 H61 MAN A 110 4.819 -13.059 15.812 1.00 0.00 H new HETATM 0 H5 MAN A 110 5.563 -10.423 15.274 1.00 0.00 H new HETATM 0 H4 MAN A 110 7.963 -11.824 16.443 1.00 0.00 H new HETATM 0 H3 MAN A 110 7.390 -8.839 16.268 1.00 0.00 H new HETATM 0 H2 MAN A 110 7.226 -8.744 18.654 1.00 0.00 H new HETATM 1893 C1 MAN A 111 -5.960 -8.460 17.182 1.00 0.00 C HETATM 1894 C2 MAN A 111 -7.111 -8.328 16.150 1.00 0.00 C HETATM 1895 C3 MAN A 111 -7.458 -6.840 15.859 1.00 0.00 C HETATM 1896 C4 MAN A 111 -7.651 -6.005 17.157 1.00 0.00 C HETATM 1897 C5 MAN A 111 -6.439 -6.210 18.112 1.00 0.00 C HETATM 1898 C6 MAN A 111 -6.545 -5.478 19.458 1.00 0.00 C HETATM 1899 O2 MAN A 111 -8.259 -9.004 16.658 1.00 0.00 O HETATM 1900 O3 MAN A 111 -8.670 -6.775 15.061 1.00 0.00 O HETATM 1901 O4 MAN A 111 -7.788 -4.630 16.813 1.00 0.00 O HETATM 1902 O5 MAN A 111 -6.245 -7.636 18.356 1.00 0.00 O HETATM 1903 O6 MAN A 111 -6.965 -6.383 20.499 1.00 0.00 O HETATM 0 HO4 MAN A 111 -8.357 -4.183 17.474 1.00 0.00 H new HETATM 0 HO2 MAN A 111 -9.070 -8.578 16.309 1.00 0.00 H new HETATM 0 H62 MAN A 111 -5.581 -5.041 19.717 1.00 0.00 H new HETATM 0 H61 MAN A 111 -7.256 -4.656 19.375 1.00 0.00 H new HETATM 0 H5 MAN A 111 -5.585 -5.769 17.598 1.00 0.00 H new HETATM 0 H4 MAN A 111 -8.552 -6.337 17.674 1.00 0.00 H new HETATM 0 H3 MAN A 111 -6.615 -6.410 15.318 1.00 0.00 H new HETATM 0 H2 MAN A 111 -6.788 -8.776 15.210 1.00 0.00 H new HETATM 1913 C1 MAN A 112 -8.597 -6.178 13.741 1.00 0.00 C HETATM 1914 C2 MAN A 112 -9.210 -4.756 13.764 1.00 0.00 C HETATM 1915 C3 MAN A 112 -10.754 -4.816 13.912 1.00 0.00 C HETATM 1916 C4 MAN A 112 -11.420 -5.772 12.888 1.00 0.00 C HETATM 1917 C5 MAN A 112 -10.730 -7.169 12.907 1.00 0.00 C HETATM 1918 C6 MAN A 112 -11.216 -8.120 11.797 1.00 0.00 C HETATM 1919 O2 MAN A 112 -8.858 -4.086 12.557 1.00 0.00 O HETATM 1920 O3 MAN A 112 -11.303 -3.510 13.779 1.00 0.00 O HETATM 1921 O4 MAN A 112 -12.803 -5.896 13.203 1.00 0.00 O HETATM 1922 O5 MAN A 112 -9.283 -7.010 12.750 1.00 0.00 O HETATM 1923 O6 MAN A 112 -11.231 -9.471 12.245 1.00 0.00 O HETATM 0 HO6 MAN A 112 -11.545 -10.052 11.521 1.00 0.00 H new HETATM 0 HO4 MAN A 112 -13.290 -6.217 12.416 1.00 0.00 H new HETATM 0 HO3 MAN A 112 -12.278 -3.554 13.871 1.00 0.00 H new HETATM 0 HO2 MAN A 112 -9.495 -3.361 12.387 1.00 0.00 H new HETATM 0 H62 MAN A 112 -12.217 -7.829 11.478 1.00 0.00 H new HETATM 0 H61 MAN A 112 -10.565 -8.030 10.927 1.00 0.00 H new HETATM 0 H5 MAN A 112 -10.993 -7.612 13.867 1.00 0.00 H new HETATM 0 H4 MAN A 112 -11.309 -5.360 11.885 1.00 0.00 H new HETATM 0 H3 MAN A 112 -10.964 -5.214 14.905 1.00 0.00 H new HETATM 0 H2 MAN A 112 -8.816 -4.211 14.622 1.00 0.00 H new HETATM 1935 C1 MAN A 113 -7.560 -5.770 21.671 1.00 0.00 C HETATM 1936 C2 MAN A 113 -6.603 -4.688 22.233 1.00 0.00 C HETATM 1937 C3 MAN A 113 -5.364 -5.341 22.906 1.00 0.00 C HETATM 1938 C4 MAN A 113 -5.736 -6.460 23.913 1.00 0.00 C HETATM 1939 C5 MAN A 113 -6.705 -7.489 23.258 1.00 0.00 C HETATM 1940 C6 MAN A 113 -7.257 -8.545 24.234 1.00 0.00 C HETATM 1941 O2 MAN A 113 -7.339 -3.876 23.190 1.00 0.00 O HETATM 1942 O3 MAN A 113 -4.587 -4.343 23.559 1.00 0.00 O HETATM 1943 O4 MAN A 113 -4.543 -7.108 24.345 1.00 0.00 O HETATM 1944 O5 MAN A 113 -7.847 -6.785 22.681 1.00 0.00 O HETATM 1945 O6 MAN A 113 -8.401 -8.061 24.926 1.00 0.00 O HETATM 0 HO6 MAN A 113 -8.764 -7.283 24.454 1.00 0.00 H new HETATM 0 HO4 MAN A 113 -4.712 -7.576 25.189 1.00 0.00 H new HETATM 0 HO3 MAN A 113 -5.180 -3.655 23.927 1.00 0.00 H new HETATM 0 H62 MAN A 113 -7.517 -9.450 23.685 1.00 0.00 H new HETATM 0 H61 MAN A 113 -6.484 -8.819 24.952 1.00 0.00 H new HETATM 0 H5 MAN A 113 -6.113 -8.011 22.506 1.00 0.00 H new HETATM 0 H4 MAN A 113 -6.245 -6.020 24.770 1.00 0.00 H new HETATM 0 H3 MAN A 113 -4.785 -5.812 22.111 1.00 0.00 H new HETATM 0 H2 MAN A 113 -6.239 -4.062 21.419 1.00 0.00 H new HETATM 1956 C1 MAN A 114 -8.047 -2.719 22.665 1.00 0.00 C HETATM 1957 C2 MAN A 114 -8.512 -1.806 23.826 1.00 0.00 C HETATM 1958 C3 MAN A 114 -9.694 -2.445 24.600 1.00 0.00 C HETATM 1959 C4 MAN A 114 -10.848 -2.891 23.665 1.00 0.00 C HETATM 1960 C5 MAN A 114 -10.306 -3.787 22.511 1.00 0.00 C HETATM 1961 C6 MAN A 114 -11.354 -4.121 21.433 1.00 0.00 C HETATM 1962 O2 MAN A 114 -8.904 -0.545 23.289 1.00 0.00 O HETATM 1963 O3 MAN A 114 -10.186 -1.526 25.571 1.00 0.00 O HETATM 1964 O4 MAN A 114 -11.817 -3.599 24.431 1.00 0.00 O HETATM 1965 O5 MAN A 114 -9.191 -3.118 21.844 1.00 0.00 O HETATM 1966 O6 MAN A 114 -11.245 -5.473 21.005 1.00 0.00 O HETATM 0 HO6 MAN A 114 -11.924 -5.656 20.322 1.00 0.00 H new HETATM 0 HO4 MAN A 114 -12.672 -3.605 23.952 1.00 0.00 H new HETATM 0 HO3 MAN A 114 -10.934 -1.933 26.057 1.00 0.00 H new HETATM 0 HO2 MAN A 114 -9.647 -0.182 23.815 1.00 0.00 H new HETATM 0 H62 MAN A 114 -12.354 -3.942 21.828 1.00 0.00 H new HETATM 0 H61 MAN A 114 -11.225 -3.456 20.579 1.00 0.00 H new HETATM 0 H5 MAN A 114 -10.003 -4.720 22.986 1.00 0.00 H new HETATM 0 H4 MAN A 114 -11.309 -2.011 23.216 1.00 0.00 H new HETATM 0 H3 MAN A 114 -9.313 -3.341 25.090 1.00 0.00 H new HETATM 0 H2 MAN A 114 -7.688 -1.675 24.527 1.00 0.00 H new