USER MOD reduce.3.24.130724 H: found=0, std=0, add=877, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 877 hydrogens (5 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 93 TYR OH : rot 15:sc= -9.44! USER MOD Set 1.2: A 94 HIS : no HE2:sc= -49.2! C(o=-59!,f=-61!) USER MOD Set 2.1: A 92 GLN :FLIP amide:sc= -2.11 F(o=-15!,f=-15) USER MOD Set 2.2: A 95 GLN : amide:sc= -12.6! C(o=-15!,f=-17!) USER MOD Set 3.1: A 81 LYS NZ :NH3+ -169:sc= -3.28! (180deg=-3.48!) USER MOD Set 3.2: A 82 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 39 SER OG : rot 150:sc= 0.04 USER MOD Set 4.2: A 44 THR OG1 : rot 178:sc= -1.95! USER MOD Set 4.3: A 46 THR OG1 : rot 62:sc= -1.99! USER MOD Set 4.4: A 65 HIS : no HE2:sc= -20.6! C(o=-25!,f=-39!) USER MOD Set 5.1: A 62 LYS NZ :NH3+ -175:sc= -0.536! (180deg=-0.396!) USER MOD Set 5.2: A 64 TYR OH : rot 35:sc= -5.06! USER MOD Set 6.1: A 28 THR OG1 : rot 89:sc= -6.57! USER MOD Set 6.2: A 30 LYS NZ :NH3+ -161:sc= -3.36! (180deg=-2.54!) USER MOD Set 6.3: A 107 TYR OH : rot -129:sc= 0.331 USER MOD Set 7.1: A 17 SER OG : rot 131:sc= 0.561 USER MOD Set 7.2: A 20 LYS NZ :NH3+ -137:sc= -4.52! (180deg=-5.87!) USER MOD Single : A 4 ASN : amide:sc= -6.26! C(o=-6.3!,f=-6.4!) USER MOD Single : A 5 ASN : amide:sc= -0.488 X(o=-0.49,f=-0.49) USER MOD Single : A 8 THR OG1 : rot 6:sc= 0.899! USER MOD Single : A 9 TYR OH : rot 150:sc= -4.78! USER MOD Single : A 12 TYR OH : rot -80:sc= -2.61! USER MOD Single : A 13 ASN :FLIP amide:sc= -20.3! C(o=-25!,f=-20!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 MET CE :methyl -111:sc= -22.3! (180deg=-27.6!) USER MOD Single : A 41 THR OG1 : rot 180:sc= -6.5! USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot -7:sc= -14.6! USER MOD Single : A 51 THR OG1 : rot -140:sc= -11.2! USER MOD Single : A 52 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.0348) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 ASN :FLIP amide:sc= -33.9! C(o=-40!,f=-34!) USER MOD Single : A 60 CYS SG : rot 175:sc= -1.42 USER MOD Single : A 63 HIS :FLIP no HE2:sc= -4.67! C(o=-9.3!,f=-4.7!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot -178:sc= -6.48! USER MOD Single : A 70 ASN :FLIP amide:sc= -0.725 F(o=-2.3!,f=-0.72) USER MOD Single : A 72 SER OG : rot 180:sc= 0.149 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 180:sc= -0.534 USER MOD Single : A 86 SER OG : rot -177:sc= -6.7! USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= -8.23! C(o=-8.2!,f=-9.5!) USER MOD Single : A 103 THR OG1 : rot -22:sc= -3.28! USER MOD Single : A 110 CYS SG : rot -49:sc= 0.451 USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 3 -12.304 10.341 3.806 1.00 0.00 C HETATM 2 O ACE A 3 -11.792 9.530 3.035 1.00 0.00 O HETATM 3 CH3 ACE A 3 -13.037 11.549 3.279 1.00 0.00 C HETATM 0 H1 ACE A 3 -14.072 11.524 3.620 1.00 0.00 H new HETATM 0 H2 ACE A 3 -12.556 12.455 3.646 1.00 0.00 H new HETATM 0 H3 ACE A 3 -13.014 11.542 2.189 1.00 0.00 H new ATOM 7 N ASN A 4 -12.247 10.220 5.128 1.00 0.00 N ATOM 8 CA ASN A 4 -11.565 9.099 5.763 1.00 0.00 C ATOM 9 C ASN A 4 -10.092 9.061 5.366 1.00 0.00 C ATOM 10 O ASN A 4 -9.438 8.023 5.470 1.00 0.00 O ATOM 11 CB ASN A 4 -12.242 7.780 5.384 1.00 0.00 C ATOM 12 CG ASN A 4 -13.287 7.959 4.300 1.00 0.00 C ATOM 13 OD1 ASN A 4 -14.331 8.572 4.524 1.00 0.00 O ATOM 14 ND2 ASN A 4 -13.012 7.421 3.119 1.00 0.00 N ATOM 0 H ASN A 4 -12.665 10.884 5.780 1.00 0.00 H new ATOM 0 HA ASN A 4 -11.628 9.234 6.843 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -11.487 7.071 5.044 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -12.710 7.347 6.268 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -13.679 7.507 2.352 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -12.134 6.921 2.978 1.00 0.00 H new ATOM 21 N ASN A 5 -9.578 10.198 4.910 1.00 0.00 N ATOM 22 CA ASN A 5 -8.183 10.294 4.497 1.00 0.00 C ATOM 23 C ASN A 5 -7.306 9.357 5.320 1.00 0.00 C ATOM 24 O ASN A 5 -7.691 8.926 6.408 1.00 0.00 O ATOM 25 CB ASN A 5 -7.685 11.733 4.639 1.00 0.00 C ATOM 26 CG ASN A 5 -8.807 12.746 4.533 1.00 0.00 C ATOM 27 OD1 ASN A 5 -9.178 13.386 5.518 1.00 0.00 O ATOM 28 ND2 ASN A 5 -9.357 12.898 3.333 1.00 0.00 N ATOM 0 H ASN A 5 -10.106 11.066 4.817 1.00 0.00 H new ATOM 0 HA ASN A 5 -8.119 9.996 3.450 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -7.185 11.848 5.601 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -6.942 11.935 3.867 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -10.117 13.565 3.201 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -9.019 12.347 2.544 1.00 0.00 H new ATOM 35 N LEU A 6 -6.127 9.042 4.794 1.00 0.00 N ATOM 36 CA LEU A 6 -5.196 8.155 5.484 1.00 0.00 C ATOM 37 C LEU A 6 -3.876 8.853 5.751 1.00 0.00 C ATOM 38 O LEU A 6 -2.891 8.215 6.122 1.00 0.00 O ATOM 39 CB LEU A 6 -4.937 6.904 4.654 1.00 0.00 C ATOM 40 CG LEU A 6 -5.622 6.878 3.298 1.00 0.00 C ATOM 41 CD1 LEU A 6 -4.724 6.211 2.273 1.00 0.00 C ATOM 42 CD2 LEU A 6 -6.952 6.160 3.411 1.00 0.00 C ATOM 0 H LEU A 6 -5.793 9.387 3.894 1.00 0.00 H new ATOM 0 HA LEU A 6 -5.650 7.876 6.435 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -3.862 6.803 4.503 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -5.262 6.034 5.225 1.00 0.00 H new ATOM 0 HG LEU A 6 -5.810 7.899 2.966 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -5.224 6.198 1.305 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -3.790 6.767 2.191 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -4.512 5.189 2.586 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -7.440 6.143 2.437 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -6.786 5.138 3.751 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -7.588 6.682 4.127 1.00 0.00 H new ATOM 54 N GLU A 7 -3.855 10.157 5.549 1.00 0.00 N ATOM 55 CA GLU A 7 -2.642 10.933 5.760 1.00 0.00 C ATOM 56 C GLU A 7 -2.151 10.810 7.200 1.00 0.00 C ATOM 57 O GLU A 7 -1.783 11.802 7.828 1.00 0.00 O ATOM 58 CB GLU A 7 -2.877 12.402 5.408 1.00 0.00 C ATOM 59 CG GLU A 7 -4.143 12.979 6.021 1.00 0.00 C ATOM 60 CD GLU A 7 -4.892 13.887 5.065 1.00 0.00 C ATOM 61 OE1 GLU A 7 -5.579 13.361 4.163 1.00 0.00 O ATOM 62 OE2 GLU A 7 -4.794 15.122 5.217 1.00 0.00 O ATOM 0 H GLU A 7 -4.660 10.702 5.240 1.00 0.00 H new ATOM 0 HA GLU A 7 -1.871 10.531 5.102 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -2.021 12.989 5.742 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -2.929 12.504 4.324 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -4.797 12.164 6.330 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -3.885 13.538 6.920 1.00 0.00 H new ATOM 69 N THR A 8 -2.146 9.584 7.715 1.00 0.00 N ATOM 70 CA THR A 8 -1.697 9.330 9.078 1.00 0.00 C ATOM 71 C THR A 8 -1.214 7.888 9.252 1.00 0.00 C ATOM 72 O THR A 8 -0.919 7.463 10.370 1.00 0.00 O ATOM 73 CB THR A 8 -2.826 9.622 10.068 1.00 0.00 C ATOM 74 OG1 THR A 8 -2.552 9.033 11.327 1.00 0.00 O ATOM 75 CG2 THR A 8 -4.173 9.111 9.606 1.00 0.00 C ATOM 0 H THR A 8 -2.448 8.752 7.208 1.00 0.00 H new ATOM 0 HA THR A 8 -0.856 9.994 9.279 1.00 0.00 H new ATOM 0 HB THR A 8 -2.873 10.708 10.141 1.00 0.00 H new ATOM 0 HG1 THR A 8 -1.649 8.652 11.320 1.00 0.00 H new ATOM 0 HG21 THR A 8 -4.929 9.351 10.354 1.00 0.00 H new ATOM 0 HG22 THR A 8 -4.436 9.583 8.659 1.00 0.00 H new ATOM 0 HG23 THR A 8 -4.126 8.030 9.472 1.00 0.00 H new ATOM 83 N TYR A 9 -1.132 7.134 8.154 1.00 0.00 N ATOM 84 CA TYR A 9 -0.683 5.750 8.223 1.00 0.00 C ATOM 85 C TYR A 9 0.801 5.636 7.937 1.00 0.00 C ATOM 86 O TYR A 9 1.284 6.105 6.907 1.00 0.00 O ATOM 87 CB TYR A 9 -1.464 4.882 7.241 1.00 0.00 C ATOM 88 CG TYR A 9 -2.932 4.838 7.574 1.00 0.00 C ATOM 89 CD1 TYR A 9 -3.409 3.958 8.534 1.00 0.00 C ATOM 90 CD2 TYR A 9 -3.835 5.694 6.956 1.00 0.00 C ATOM 91 CE1 TYR A 9 -4.746 3.925 8.868 1.00 0.00 C ATOM 92 CE2 TYR A 9 -5.176 5.670 7.290 1.00 0.00 C ATOM 93 CZ TYR A 9 -5.625 4.783 8.245 1.00 0.00 C ATOM 94 OH TYR A 9 -6.960 4.759 8.579 1.00 0.00 O ATOM 0 H TYR A 9 -1.369 7.458 7.216 1.00 0.00 H new ATOM 0 HA TYR A 9 -0.866 5.397 9.238 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -1.333 5.269 6.231 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -1.059 3.870 7.250 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -2.722 3.287 9.028 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -3.485 6.387 6.205 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -5.102 3.230 9.614 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -5.868 6.343 6.805 1.00 0.00 H new ATOM 0 HH TYR A 9 -7.344 5.653 8.458 1.00 0.00 H new ATOM 104 N GLU A 10 1.520 4.996 8.846 1.00 0.00 N ATOM 105 CA GLU A 10 2.947 4.809 8.673 1.00 0.00 C ATOM 106 C GLU A 10 3.237 4.441 7.230 1.00 0.00 C ATOM 107 O GLU A 10 4.346 4.633 6.737 1.00 0.00 O ATOM 108 CB GLU A 10 3.449 3.699 9.595 1.00 0.00 C ATOM 109 CG GLU A 10 4.524 2.828 8.969 1.00 0.00 C ATOM 110 CD GLU A 10 5.689 2.576 9.906 1.00 0.00 C ATOM 111 OE1 GLU A 10 5.493 2.668 11.136 1.00 0.00 O ATOM 112 OE2 GLU A 10 6.798 2.284 9.410 1.00 0.00 O ATOM 0 H GLU A 10 1.139 4.600 9.705 1.00 0.00 H new ATOM 0 HA GLU A 10 3.460 5.737 8.925 1.00 0.00 H new ATOM 0 HB2 GLU A 10 3.842 4.146 10.508 1.00 0.00 H new ATOM 0 HB3 GLU A 10 2.607 3.070 9.885 1.00 0.00 H new ATOM 0 HG2 GLU A 10 4.087 1.874 8.674 1.00 0.00 H new ATOM 0 HG3 GLU A 10 4.890 3.306 8.060 1.00 0.00 H new ATOM 119 N TRP A 11 2.229 3.885 6.567 1.00 0.00 N ATOM 120 CA TRP A 11 2.365 3.456 5.189 1.00 0.00 C ATOM 121 C TRP A 11 1.900 4.517 4.192 1.00 0.00 C ATOM 122 O TRP A 11 2.411 4.591 3.076 1.00 0.00 O ATOM 123 CB TRP A 11 1.553 2.188 4.995 1.00 0.00 C ATOM 124 CG TRP A 11 0.189 2.250 5.625 1.00 0.00 C ATOM 125 CD1 TRP A 11 -0.195 1.765 6.848 1.00 0.00 C ATOM 126 CD2 TRP A 11 -0.983 2.810 5.037 1.00 0.00 C ATOM 127 NE1 TRP A 11 -1.544 1.987 7.039 1.00 0.00 N ATOM 128 CE2 TRP A 11 -2.045 2.630 5.940 1.00 0.00 C ATOM 129 CE3 TRP A 11 -1.230 3.449 3.828 1.00 0.00 C ATOM 130 CZ2 TRP A 11 -3.338 3.064 5.662 1.00 0.00 C ATOM 131 CZ3 TRP A 11 -2.511 3.879 3.548 1.00 0.00 C ATOM 132 CH2 TRP A 11 -3.551 3.686 4.462 1.00 0.00 C ATOM 0 H TRP A 11 1.306 3.722 6.969 1.00 0.00 H new ATOM 0 HA TRP A 11 3.423 3.280 4.996 1.00 0.00 H new ATOM 0 HB2 TRP A 11 1.444 1.995 3.928 1.00 0.00 H new ATOM 0 HB3 TRP A 11 2.102 1.346 5.417 1.00 0.00 H new ATOM 0 HD1 TRP A 11 0.460 1.281 7.557 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -2.079 1.716 7.864 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -0.431 3.607 3.118 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -4.143 2.915 6.367 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -2.713 4.372 2.609 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -4.543 4.035 4.216 1.00 0.00 H new ATOM 143 N TYR A 12 0.915 5.315 4.573 1.00 0.00 N ATOM 144 CA TYR A 12 0.394 6.332 3.669 1.00 0.00 C ATOM 145 C TYR A 12 1.395 7.448 3.407 1.00 0.00 C ATOM 146 O TYR A 12 2.051 7.946 4.323 1.00 0.00 O ATOM 147 CB TYR A 12 -0.895 6.942 4.202 1.00 0.00 C ATOM 148 CG TYR A 12 -1.522 7.892 3.213 1.00 0.00 C ATOM 149 CD1 TYR A 12 -2.206 7.411 2.108 1.00 0.00 C ATOM 150 CD2 TYR A 12 -1.415 9.268 3.374 1.00 0.00 C ATOM 151 CE1 TYR A 12 -2.771 8.272 1.190 1.00 0.00 C ATOM 152 CE2 TYR A 12 -1.978 10.137 2.459 1.00 0.00 C ATOM 153 CZ TYR A 12 -2.655 9.634 1.369 1.00 0.00 C ATOM 154 OH TYR A 12 -3.219 10.494 0.455 1.00 0.00 O ATOM 0 H TYR A 12 0.465 5.281 5.488 1.00 0.00 H new ATOM 0 HA TYR A 12 0.195 5.818 2.728 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -1.602 6.147 4.439 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -0.688 7.471 5.132 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -2.298 6.345 1.963 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -0.884 9.664 4.227 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -3.302 7.881 0.335 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -1.888 11.204 2.597 1.00 0.00 H new ATOM 0 HH TYR A 12 -2.633 10.571 -0.326 1.00 0.00 H new ATOM 164 N ASN A 13 1.481 7.847 2.144 1.00 0.00 N ATOM 165 CA ASN A 13 2.370 8.924 1.729 1.00 0.00 C ATOM 166 C ASN A 13 1.676 9.798 0.687 1.00 0.00 C ATOM 167 O ASN A 13 1.655 9.469 -0.499 1.00 0.00 O ATOM 168 CB ASN A 13 3.671 8.350 1.171 1.00 0.00 C ATOM 169 CG ASN A 13 4.648 7.989 2.266 1.00 0.00 C ATOM 170 OD1 ASN A 13 4.308 6.961 3.027 1.00 0.00 O flip ATOM 171 ND2 ASN A 13 5.691 8.622 2.425 1.00 0.00 N flip ATOM 0 H ASN A 13 0.940 7.436 1.383 1.00 0.00 H new ATOM 0 HA ASN A 13 2.612 9.540 2.595 1.00 0.00 H new ATOM 0 HB2 ASN A 13 3.450 7.464 0.576 1.00 0.00 H new ATOM 0 HB3 ASN A 13 4.130 9.077 0.501 1.00 0.00 H new ATOM 0 HD21 ASN A 13 5.909 9.408 1.812 1.00 0.00 H new ATOM 0 HD22 ASN A 13 6.337 8.361 3.170 1.00 0.00 H new ATOM 178 N LYS A 14 1.091 10.900 1.146 1.00 0.00 N ATOM 179 CA LYS A 14 0.370 11.816 0.269 1.00 0.00 C ATOM 180 C LYS A 14 1.261 12.350 -0.852 1.00 0.00 C ATOM 181 O LYS A 14 1.392 11.724 -1.904 1.00 0.00 O ATOM 182 CB LYS A 14 -0.204 12.978 1.079 1.00 0.00 C ATOM 183 CG LYS A 14 -1.718 12.947 1.196 1.00 0.00 C ATOM 184 CD LYS A 14 -2.376 13.860 0.175 1.00 0.00 C ATOM 185 CE LYS A 14 -3.641 14.496 0.728 1.00 0.00 C ATOM 186 NZ LYS A 14 -4.487 15.079 -0.349 1.00 0.00 N ATOM 0 H LYS A 14 1.103 11.181 2.126 1.00 0.00 H new ATOM 0 HA LYS A 14 -0.444 11.257 -0.192 1.00 0.00 H new ATOM 0 HB2 LYS A 14 0.230 12.963 2.079 1.00 0.00 H new ATOM 0 HB3 LYS A 14 0.097 13.917 0.615 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -2.074 11.926 1.055 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -2.012 13.251 2.200 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -1.675 14.640 -0.122 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -2.617 13.290 -0.722 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -4.214 13.747 1.275 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -3.373 15.276 1.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -5.339 15.503 0.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -3.949 15.812 -0.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -4.764 14.331 -1.016 1.00 0.00 H new ATOM 200 N SER A 15 1.863 13.514 -0.622 1.00 0.00 N ATOM 201 CA SER A 15 2.736 14.141 -1.613 1.00 0.00 C ATOM 202 C SER A 15 3.537 13.097 -2.388 1.00 0.00 C ATOM 203 O SER A 15 4.063 13.378 -3.463 1.00 0.00 O ATOM 204 CB SER A 15 3.688 15.126 -0.932 1.00 0.00 C ATOM 205 OG SER A 15 5.012 14.969 -1.411 1.00 0.00 O ATOM 0 H SER A 15 1.762 14.044 0.244 1.00 0.00 H new ATOM 0 HA SER A 15 2.105 14.679 -2.320 1.00 0.00 H new ATOM 0 HB2 SER A 15 3.351 16.147 -1.113 1.00 0.00 H new ATOM 0 HB3 SER A 15 3.667 14.970 0.147 1.00 0.00 H new ATOM 0 HG SER A 15 5.601 15.611 -0.962 1.00 0.00 H new ATOM 211 N ILE A 16 3.639 11.901 -1.824 1.00 0.00 N ATOM 212 CA ILE A 16 4.384 10.821 -2.434 1.00 0.00 C ATOM 213 C ILE A 16 3.845 10.412 -3.796 1.00 0.00 C ATOM 214 O ILE A 16 2.683 10.644 -4.127 1.00 0.00 O ATOM 215 CB ILE A 16 4.339 9.585 -1.537 1.00 0.00 C ATOM 216 CG1 ILE A 16 5.733 9.186 -1.128 1.00 0.00 C ATOM 217 CG2 ILE A 16 3.652 8.431 -2.249 1.00 0.00 C ATOM 218 CD1 ILE A 16 5.953 7.698 -1.221 1.00 0.00 C ATOM 0 H ILE A 16 3.207 11.658 -0.933 1.00 0.00 H new ATOM 0 HA ILE A 16 5.400 11.196 -2.562 1.00 0.00 H new ATOM 0 HB ILE A 16 3.766 9.830 -0.643 1.00 0.00 H new ATOM 0 HG12 ILE A 16 6.456 9.698 -1.763 1.00 0.00 H new ATOM 0 HG13 ILE A 16 5.917 9.515 -0.105 1.00 0.00 H new ATOM 0 HG21 ILE A 16 3.630 7.560 -1.594 1.00 0.00 H new ATOM 0 HG22 ILE A 16 2.632 8.717 -2.506 1.00 0.00 H new ATOM 0 HG23 ILE A 16 4.200 8.187 -3.159 1.00 0.00 H new ATOM 0 HD11 ILE A 16 6.972 7.461 -0.916 1.00 0.00 H new ATOM 0 HD12 ILE A 16 5.249 7.185 -0.566 1.00 0.00 H new ATOM 0 HD13 ILE A 16 5.797 7.371 -2.249 1.00 0.00 H new ATOM 230 N SER A 17 4.716 9.765 -4.558 1.00 0.00 N ATOM 231 CA SER A 17 4.381 9.259 -5.876 1.00 0.00 C ATOM 232 C SER A 17 4.709 7.771 -5.941 1.00 0.00 C ATOM 233 O SER A 17 5.006 7.152 -4.919 1.00 0.00 O ATOM 234 CB SER A 17 5.149 10.023 -6.949 1.00 0.00 C ATOM 235 OG SER A 17 4.269 10.762 -7.779 1.00 0.00 O ATOM 0 H SER A 17 5.678 9.577 -4.276 1.00 0.00 H new ATOM 0 HA SER A 17 3.316 9.400 -6.058 1.00 0.00 H new ATOM 0 HB2 SER A 17 5.863 10.699 -6.478 1.00 0.00 H new ATOM 0 HB3 SER A 17 5.725 9.324 -7.556 1.00 0.00 H new ATOM 0 HG SER A 17 4.593 11.683 -7.860 1.00 0.00 H new ATOM 241 N ARG A 18 4.661 7.196 -7.134 1.00 0.00 N ATOM 242 CA ARG A 18 4.962 5.778 -7.302 1.00 0.00 C ATOM 243 C ARG A 18 6.464 5.510 -7.189 1.00 0.00 C ATOM 244 O ARG A 18 6.893 4.616 -6.459 1.00 0.00 O ATOM 245 CB ARG A 18 4.446 5.282 -8.653 1.00 0.00 C ATOM 246 CG ARG A 18 5.449 5.442 -9.784 1.00 0.00 C ATOM 247 CD ARG A 18 5.517 6.881 -10.268 1.00 0.00 C ATOM 248 NE ARG A 18 4.758 7.082 -11.499 1.00 0.00 N ATOM 249 CZ ARG A 18 4.979 6.405 -12.620 1.00 0.00 C ATOM 250 NH1 ARG A 18 5.935 5.487 -12.664 1.00 0.00 N ATOM 251 NH2 ARG A 18 4.244 6.645 -13.697 1.00 0.00 N ATOM 0 H ARG A 18 4.418 7.684 -7.996 1.00 0.00 H new ATOM 0 HA ARG A 18 4.458 5.235 -6.503 1.00 0.00 H new ATOM 0 HB2 ARG A 18 4.175 4.230 -8.565 1.00 0.00 H new ATOM 0 HB3 ARG A 18 3.536 5.825 -8.906 1.00 0.00 H new ATOM 0 HG2 ARG A 18 6.435 5.124 -9.445 1.00 0.00 H new ATOM 0 HG3 ARG A 18 5.171 4.791 -10.613 1.00 0.00 H new ATOM 0 HD2 ARG A 18 5.131 7.543 -9.492 1.00 0.00 H new ATOM 0 HD3 ARG A 18 6.558 7.158 -10.435 1.00 0.00 H new ATOM 0 HE ARG A 18 4.016 7.782 -11.498 1.00 0.00 H new ATOM 0 HH11 ARG A 18 6.501 5.300 -11.836 1.00 0.00 H new ATOM 0 HH12 ARG A 18 6.104 4.968 -13.525 1.00 0.00 H new ATOM 0 HH21 ARG A 18 3.508 7.350 -13.665 1.00 0.00 H new ATOM 0 HH22 ARG A 18 4.415 6.124 -14.557 1.00 0.00 H new ATOM 265 N ASP A 19 7.252 6.277 -7.934 1.00 0.00 N ATOM 266 CA ASP A 19 8.706 6.119 -7.948 1.00 0.00 C ATOM 267 C ASP A 19 9.373 6.635 -6.670 1.00 0.00 C ATOM 268 O ASP A 19 10.468 6.195 -6.319 1.00 0.00 O ATOM 269 CB ASP A 19 9.297 6.843 -9.159 1.00 0.00 C ATOM 270 CG ASP A 19 9.426 5.936 -10.368 1.00 0.00 C ATOM 271 OD1 ASP A 19 9.675 4.727 -10.180 1.00 0.00 O ATOM 272 OD2 ASP A 19 9.280 6.437 -11.503 1.00 0.00 O ATOM 0 H ASP A 19 6.907 7.020 -8.541 1.00 0.00 H new ATOM 0 HA ASP A 19 8.906 5.049 -8.009 1.00 0.00 H new ATOM 0 HB2 ASP A 19 8.666 7.695 -9.413 1.00 0.00 H new ATOM 0 HB3 ASP A 19 10.279 7.239 -8.899 1.00 0.00 H new ATOM 277 N LYS A 20 8.729 7.576 -5.988 1.00 0.00 N ATOM 278 CA LYS A 20 9.294 8.147 -4.767 1.00 0.00 C ATOM 279 C LYS A 20 9.169 7.181 -3.602 1.00 0.00 C ATOM 280 O LYS A 20 10.082 7.053 -2.776 1.00 0.00 O ATOM 281 CB LYS A 20 8.602 9.464 -4.422 1.00 0.00 C ATOM 282 CG LYS A 20 8.636 10.463 -5.560 1.00 0.00 C ATOM 283 CD LYS A 20 7.947 9.905 -6.790 1.00 0.00 C ATOM 284 CE LYS A 20 7.542 11.007 -7.756 1.00 0.00 C ATOM 285 NZ LYS A 20 6.778 10.475 -8.918 1.00 0.00 N ATOM 0 H LYS A 20 7.822 7.958 -6.256 1.00 0.00 H new ATOM 0 HA LYS A 20 10.352 8.336 -4.948 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.565 9.264 -4.152 1.00 0.00 H new ATOM 0 HB3 LYS A 20 9.081 9.902 -3.546 1.00 0.00 H new ATOM 0 HG2 LYS A 20 8.147 11.388 -5.252 1.00 0.00 H new ATOM 0 HG3 LYS A 20 9.670 10.713 -5.799 1.00 0.00 H new ATOM 0 HD2 LYS A 20 8.613 9.205 -7.295 1.00 0.00 H new ATOM 0 HD3 LYS A 20 7.063 9.342 -6.489 1.00 0.00 H new ATOM 0 HE2 LYS A 20 6.936 11.745 -7.231 1.00 0.00 H new ATOM 0 HE3 LYS A 20 8.434 11.522 -8.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 7.114 10.929 -9.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 6.920 9.447 -8.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 5.766 10.677 -8.790 1.00 0.00 H new ATOM 299 N ALA A 21 8.033 6.506 -3.531 1.00 0.00 N ATOM 300 CA ALA A 21 7.801 5.558 -2.451 1.00 0.00 C ATOM 301 C ALA A 21 8.937 4.542 -2.367 1.00 0.00 C ATOM 302 O ALA A 21 9.350 4.139 -1.276 1.00 0.00 O ATOM 303 CB ALA A 21 6.457 4.869 -2.597 1.00 0.00 C ATOM 0 H ALA A 21 7.266 6.594 -4.198 1.00 0.00 H new ATOM 0 HA ALA A 21 7.780 6.117 -1.516 1.00 0.00 H new ATOM 0 HB1 ALA A 21 6.316 4.168 -1.774 1.00 0.00 H new ATOM 0 HB2 ALA A 21 5.662 5.615 -2.579 1.00 0.00 H new ATOM 0 HB3 ALA A 21 6.426 4.329 -3.543 1.00 0.00 H new ATOM 309 N GLU A 22 9.471 4.147 -3.513 1.00 0.00 N ATOM 310 CA GLU A 22 10.581 3.209 -3.526 1.00 0.00 C ATOM 311 C GLU A 22 11.778 3.851 -2.841 1.00 0.00 C ATOM 312 O GLU A 22 12.351 3.299 -1.896 1.00 0.00 O ATOM 313 CB GLU A 22 10.938 2.811 -4.960 1.00 0.00 C ATOM 314 CG GLU A 22 9.804 2.126 -5.702 1.00 0.00 C ATOM 315 CD GLU A 22 10.271 0.931 -6.509 1.00 0.00 C ATOM 316 OE1 GLU A 22 11.478 0.613 -6.453 1.00 0.00 O ATOM 317 OE2 GLU A 22 9.432 0.314 -7.197 1.00 0.00 O ATOM 0 H GLU A 22 9.159 4.457 -4.433 1.00 0.00 H new ATOM 0 HA GLU A 22 10.294 2.304 -2.991 1.00 0.00 H new ATOM 0 HB2 GLU A 22 11.236 3.703 -5.512 1.00 0.00 H new ATOM 0 HB3 GLU A 22 11.801 2.146 -4.939 1.00 0.00 H new ATOM 0 HG2 GLU A 22 9.049 1.803 -4.985 1.00 0.00 H new ATOM 0 HG3 GLU A 22 9.325 2.844 -6.368 1.00 0.00 H new ATOM 324 N LYS A 23 12.129 5.046 -3.310 1.00 0.00 N ATOM 325 CA LYS A 23 13.233 5.800 -2.740 1.00 0.00 C ATOM 326 C LYS A 23 12.982 6.050 -1.261 1.00 0.00 C ATOM 327 O LYS A 23 13.843 5.784 -0.422 1.00 0.00 O ATOM 328 CB LYS A 23 13.398 7.132 -3.469 1.00 0.00 C ATOM 329 CG LYS A 23 12.126 7.962 -3.496 1.00 0.00 C ATOM 330 CD LYS A 23 12.378 9.354 -4.053 1.00 0.00 C ATOM 331 CE LYS A 23 11.464 10.385 -3.412 1.00 0.00 C ATOM 332 NZ LYS A 23 12.174 11.667 -3.147 1.00 0.00 N ATOM 0 H LYS A 23 11.660 5.511 -4.087 1.00 0.00 H new ATOM 0 HA LYS A 23 14.148 5.220 -2.855 1.00 0.00 H new ATOM 0 HB2 LYS A 23 14.189 7.707 -2.987 1.00 0.00 H new ATOM 0 HB3 LYS A 23 13.721 6.941 -4.492 1.00 0.00 H new ATOM 0 HG2 LYS A 23 11.374 7.457 -4.103 1.00 0.00 H new ATOM 0 HG3 LYS A 23 11.721 8.041 -2.487 1.00 0.00 H new ATOM 0 HD2 LYS A 23 13.418 9.632 -3.882 1.00 0.00 H new ATOM 0 HD3 LYS A 23 12.222 9.349 -5.132 1.00 0.00 H new ATOM 0 HE2 LYS A 23 10.611 10.570 -4.065 1.00 0.00 H new ATOM 0 HE3 LYS A 23 11.069 9.989 -2.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 11.517 12.344 -2.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 12.973 11.495 -2.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 12.529 12.059 -4.043 1.00 0.00 H new ATOM 346 N LEU A 24 11.790 6.553 -0.943 1.00 0.00 N ATOM 347 CA LEU A 24 11.438 6.818 0.445 1.00 0.00 C ATOM 348 C LEU A 24 11.373 5.508 1.221 1.00 0.00 C ATOM 349 O LEU A 24 11.784 5.441 2.380 1.00 0.00 O ATOM 350 CB LEU A 24 10.107 7.570 0.539 1.00 0.00 C ATOM 351 CG LEU A 24 8.934 6.756 1.086 1.00 0.00 C ATOM 352 CD1 LEU A 24 7.729 7.653 1.309 1.00 0.00 C ATOM 353 CD2 LEU A 24 8.599 5.626 0.127 1.00 0.00 C ATOM 0 H LEU A 24 11.062 6.782 -1.620 1.00 0.00 H new ATOM 0 HA LEU A 24 12.208 7.451 0.885 1.00 0.00 H new ATOM 0 HB2 LEU A 24 10.247 8.446 1.173 1.00 0.00 H new ATOM 0 HB3 LEU A 24 9.843 7.934 -0.454 1.00 0.00 H new ATOM 0 HG LEU A 24 9.215 6.323 2.046 1.00 0.00 H new ATOM 0 HD11 LEU A 24 6.901 7.060 1.699 1.00 0.00 H new ATOM 0 HD12 LEU A 24 7.984 8.434 2.025 1.00 0.00 H new ATOM 0 HD13 LEU A 24 7.435 8.109 0.364 1.00 0.00 H new ATOM 0 HD21 LEU A 24 7.763 5.049 0.522 1.00 0.00 H new ATOM 0 HD22 LEU A 24 8.327 6.041 -0.844 1.00 0.00 H new ATOM 0 HD23 LEU A 24 9.466 4.976 0.014 1.00 0.00 H new ATOM 365 N LEU A 25 10.879 4.458 0.565 1.00 0.00 N ATOM 366 CA LEU A 25 10.792 3.145 1.192 1.00 0.00 C ATOM 367 C LEU A 25 12.189 2.601 1.461 1.00 0.00 C ATOM 368 O LEU A 25 12.474 2.093 2.546 1.00 0.00 O ATOM 369 CB LEU A 25 10.031 2.170 0.293 1.00 0.00 C ATOM 370 CG LEU A 25 8.534 2.050 0.578 1.00 0.00 C ATOM 371 CD1 LEU A 25 7.749 2.051 -0.724 1.00 0.00 C ATOM 372 CD2 LEU A 25 8.246 0.789 1.382 1.00 0.00 C ATOM 0 H LEU A 25 10.536 4.493 -0.395 1.00 0.00 H new ATOM 0 HA LEU A 25 10.255 3.250 2.135 1.00 0.00 H new ATOM 0 HB2 LEU A 25 10.163 2.479 -0.744 1.00 0.00 H new ATOM 0 HB3 LEU A 25 10.483 1.183 0.391 1.00 0.00 H new ATOM 0 HG LEU A 25 8.219 2.910 1.169 1.00 0.00 H new ATOM 0 HD11 LEU A 25 6.684 1.965 -0.507 1.00 0.00 H new ATOM 0 HD12 LEU A 25 7.936 2.981 -1.261 1.00 0.00 H new ATOM 0 HD13 LEU A 25 8.063 1.208 -1.339 1.00 0.00 H new ATOM 0 HD21 LEU A 25 7.176 0.718 1.577 1.00 0.00 H new ATOM 0 HD22 LEU A 25 8.571 -0.085 0.817 1.00 0.00 H new ATOM 0 HD23 LEU A 25 8.785 0.830 2.328 1.00 0.00 H new ATOM 384 N LEU A 26 13.056 2.710 0.458 1.00 0.00 N ATOM 385 CA LEU A 26 14.429 2.230 0.571 1.00 0.00 C ATOM 386 C LEU A 26 15.120 2.802 1.806 1.00 0.00 C ATOM 387 O LEU A 26 15.923 2.126 2.448 1.00 0.00 O ATOM 388 CB LEU A 26 15.221 2.607 -0.680 1.00 0.00 C ATOM 389 CG LEU A 26 15.332 1.503 -1.728 1.00 0.00 C ATOM 390 CD1 LEU A 26 13.961 1.144 -2.275 1.00 0.00 C ATOM 391 CD2 LEU A 26 16.263 1.931 -2.854 1.00 0.00 C ATOM 0 H LEU A 26 12.830 3.128 -0.445 1.00 0.00 H new ATOM 0 HA LEU A 26 14.395 1.145 0.670 1.00 0.00 H new ATOM 0 HB2 LEU A 26 14.754 3.478 -1.139 1.00 0.00 H new ATOM 0 HB3 LEU A 26 16.226 2.905 -0.380 1.00 0.00 H new ATOM 0 HG LEU A 26 15.752 0.617 -1.252 1.00 0.00 H new ATOM 0 HD11 LEU A 26 14.062 0.355 -3.021 1.00 0.00 H new ATOM 0 HD12 LEU A 26 13.325 0.795 -1.462 1.00 0.00 H new ATOM 0 HD13 LEU A 26 13.511 2.024 -2.736 1.00 0.00 H new ATOM 0 HD21 LEU A 26 16.331 1.133 -3.593 1.00 0.00 H new ATOM 0 HD22 LEU A 26 15.871 2.831 -3.328 1.00 0.00 H new ATOM 0 HD23 LEU A 26 17.254 2.136 -2.449 1.00 0.00 H new ATOM 403 N ASP A 27 14.811 4.053 2.125 1.00 0.00 N ATOM 404 CA ASP A 27 15.411 4.720 3.274 1.00 0.00 C ATOM 405 C ASP A 27 15.149 3.950 4.566 1.00 0.00 C ATOM 406 O ASP A 27 15.889 4.087 5.540 1.00 0.00 O ATOM 407 CB ASP A 27 14.869 6.145 3.400 1.00 0.00 C ATOM 408 CG ASP A 27 15.895 7.107 3.964 1.00 0.00 C ATOM 409 OD1 ASP A 27 16.958 7.280 3.330 1.00 0.00 O ATOM 410 OD2 ASP A 27 15.638 7.688 5.040 1.00 0.00 O ATOM 0 H ASP A 27 14.148 4.626 1.604 1.00 0.00 H new ATOM 0 HA ASP A 27 16.488 4.755 3.113 1.00 0.00 H new ATOM 0 HB2 ASP A 27 14.547 6.496 2.420 1.00 0.00 H new ATOM 0 HB3 ASP A 27 13.988 6.140 4.042 1.00 0.00 H new ATOM 415 N THR A 28 14.088 3.152 4.573 1.00 0.00 N ATOM 416 CA THR A 28 13.728 2.375 5.754 1.00 0.00 C ATOM 417 C THR A 28 14.374 0.990 5.736 1.00 0.00 C ATOM 418 O THR A 28 15.042 0.596 6.692 1.00 0.00 O ATOM 419 CB THR A 28 12.208 2.241 5.854 1.00 0.00 C ATOM 420 OG1 THR A 28 11.797 2.180 7.207 1.00 0.00 O ATOM 421 CG2 THR A 28 11.664 1.016 5.152 1.00 0.00 C ATOM 0 H THR A 28 13.463 3.026 3.777 1.00 0.00 H new ATOM 0 HA THR A 28 14.103 2.908 6.628 1.00 0.00 H new ATOM 0 HB THR A 28 11.809 3.127 5.360 1.00 0.00 H new ATOM 0 HG1 THR A 28 11.639 3.087 7.542 1.00 0.00 H new ATOM 0 HG21 THR A 28 10.580 0.984 5.263 1.00 0.00 H new ATOM 0 HG22 THR A 28 11.919 1.060 4.093 1.00 0.00 H new ATOM 0 HG23 THR A 28 12.100 0.120 5.593 1.00 0.00 H new ATOM 429 N GLY A 29 14.159 0.251 4.653 1.00 0.00 N ATOM 430 CA GLY A 29 14.719 -1.087 4.546 1.00 0.00 C ATOM 431 C GLY A 29 13.705 -2.149 4.926 1.00 0.00 C ATOM 432 O GLY A 29 13.634 -3.209 4.305 1.00 0.00 O ATOM 0 H GLY A 29 13.609 0.552 3.849 1.00 0.00 H new ATOM 0 HA2 GLY A 29 15.061 -1.258 3.525 1.00 0.00 H new ATOM 0 HA3 GLY A 29 15.593 -1.169 5.193 1.00 0.00 H new ATOM 436 N LYS A 30 12.915 -1.845 5.949 1.00 0.00 N ATOM 437 CA LYS A 30 11.877 -2.747 6.436 1.00 0.00 C ATOM 438 C LYS A 30 11.651 -3.938 5.516 1.00 0.00 C ATOM 439 O LYS A 30 11.573 -3.789 4.297 1.00 0.00 O ATOM 440 CB LYS A 30 10.556 -1.997 6.565 1.00 0.00 C ATOM 441 CG LYS A 30 10.437 -1.176 7.827 1.00 0.00 C ATOM 442 CD LYS A 30 11.683 -0.352 8.089 1.00 0.00 C ATOM 443 CE LYS A 30 11.481 0.580 9.269 1.00 0.00 C ATOM 444 NZ LYS A 30 10.498 1.656 8.967 1.00 0.00 N ATOM 0 H LYS A 30 12.975 -0.967 6.464 1.00 0.00 H new ATOM 0 HA LYS A 30 12.220 -3.118 7.402 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.437 -1.340 5.704 1.00 0.00 H new ATOM 0 HB3 LYS A 30 9.737 -2.716 6.533 1.00 0.00 H new ATOM 0 HG2 LYS A 30 9.575 -0.514 7.749 1.00 0.00 H new ATOM 0 HG3 LYS A 30 10.255 -1.838 8.674 1.00 0.00 H new ATOM 0 HD2 LYS A 30 12.527 -1.014 8.284 1.00 0.00 H new ATOM 0 HD3 LYS A 30 11.933 0.229 7.201 1.00 0.00 H new ATOM 0 HE2 LYS A 30 11.138 0.006 10.130 1.00 0.00 H new ATOM 0 HE3 LYS A 30 12.436 1.028 9.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 10.619 2.437 9.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 10.654 2.008 8.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 9.533 1.277 9.046 1.00 0.00 H new ATOM 458 N GLU A 31 11.476 -5.110 6.117 1.00 0.00 N ATOM 459 CA GLU A 31 11.180 -6.308 5.352 1.00 0.00 C ATOM 460 C GLU A 31 9.682 -6.326 5.084 1.00 0.00 C ATOM 461 O GLU A 31 8.883 -6.514 6.001 1.00 0.00 O ATOM 462 CB GLU A 31 11.602 -7.562 6.120 1.00 0.00 C ATOM 463 CG GLU A 31 10.608 -8.706 6.013 1.00 0.00 C ATOM 464 CD GLU A 31 11.278 -10.041 5.754 1.00 0.00 C ATOM 465 OE1 GLU A 31 12.456 -10.198 6.141 1.00 0.00 O ATOM 466 OE2 GLU A 31 10.627 -10.928 5.164 1.00 0.00 O ATOM 0 H GLU A 31 11.534 -5.252 7.125 1.00 0.00 H new ATOM 0 HA GLU A 31 11.735 -6.301 4.414 1.00 0.00 H new ATOM 0 HB2 GLU A 31 12.570 -7.897 5.747 1.00 0.00 H new ATOM 0 HB3 GLU A 31 11.736 -7.306 7.171 1.00 0.00 H new ATOM 0 HG2 GLU A 31 10.030 -8.767 6.935 1.00 0.00 H new ATOM 0 HG3 GLU A 31 9.903 -8.496 5.208 1.00 0.00 H new ATOM 473 N GLY A 32 9.303 -6.081 3.839 1.00 0.00 N ATOM 474 CA GLY A 32 7.898 -6.024 3.503 1.00 0.00 C ATOM 475 C GLY A 32 7.324 -4.671 3.862 1.00 0.00 C ATOM 476 O GLY A 32 6.169 -4.561 4.276 1.00 0.00 O ATOM 0 H GLY A 32 9.941 -5.921 3.059 1.00 0.00 H new ATOM 0 HA2 GLY A 32 7.765 -6.212 2.438 1.00 0.00 H new ATOM 0 HA3 GLY A 32 7.358 -6.808 4.035 1.00 0.00 H new ATOM 480 N ALA A 33 8.149 -3.636 3.707 1.00 0.00 N ATOM 481 CA ALA A 33 7.746 -2.277 4.018 1.00 0.00 C ATOM 482 C ALA A 33 6.531 -1.892 3.210 1.00 0.00 C ATOM 483 O ALA A 33 6.459 -2.158 2.006 1.00 0.00 O ATOM 484 CB ALA A 33 8.886 -1.309 3.772 1.00 0.00 C ATOM 0 H ALA A 33 9.106 -3.721 3.365 1.00 0.00 H new ATOM 0 HA ALA A 33 7.485 -2.228 5.075 1.00 0.00 H new ATOM 0 HB1 ALA A 33 8.562 -0.296 4.012 1.00 0.00 H new ATOM 0 HB2 ALA A 33 9.734 -1.577 4.403 1.00 0.00 H new ATOM 0 HB3 ALA A 33 9.184 -1.356 2.725 1.00 0.00 H new ATOM 490 N PHE A 34 5.570 -1.288 3.888 1.00 0.00 N ATOM 491 CA PHE A 34 4.334 -0.886 3.251 1.00 0.00 C ATOM 492 C PHE A 34 4.118 0.616 3.286 1.00 0.00 C ATOM 493 O PHE A 34 4.453 1.287 4.256 1.00 0.00 O ATOM 494 CB PHE A 34 3.161 -1.561 3.932 1.00 0.00 C ATOM 495 CG PHE A 34 1.866 -0.855 3.647 1.00 0.00 C ATOM 496 CD1 PHE A 34 1.452 -0.671 2.345 1.00 0.00 C ATOM 497 CD2 PHE A 34 1.073 -0.364 4.663 1.00 0.00 C ATOM 498 CE1 PHE A 34 0.277 -0.009 2.060 1.00 0.00 C ATOM 499 CE2 PHE A 34 -0.091 0.293 4.385 1.00 0.00 C ATOM 500 CZ PHE A 34 -0.494 0.478 3.085 1.00 0.00 C ATOM 0 H PHE A 34 5.625 -1.066 4.882 1.00 0.00 H new ATOM 0 HA PHE A 34 4.406 -1.191 2.207 1.00 0.00 H new ATOM 0 HB2 PHE A 34 3.092 -2.596 3.596 1.00 0.00 H new ATOM 0 HB3 PHE A 34 3.331 -1.586 5.008 1.00 0.00 H new ATOM 0 HD1 PHE A 34 2.058 -1.051 1.536 1.00 0.00 H new ATOM 0 HD2 PHE A 34 1.376 -0.501 5.690 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -0.035 0.126 1.035 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -0.700 0.670 5.193 1.00 0.00 H new ATOM 0 HZ PHE A 34 -1.413 1.004 2.871 1.00 0.00 H new ATOM 510 N MET A 35 3.522 1.124 2.220 1.00 0.00 N ATOM 511 CA MET A 35 3.210 2.538 2.114 1.00 0.00 C ATOM 512 C MET A 35 2.016 2.729 1.200 1.00 0.00 C ATOM 513 O MET A 35 1.538 1.773 0.590 1.00 0.00 O ATOM 514 CB MET A 35 4.405 3.321 1.586 1.00 0.00 C ATOM 515 CG MET A 35 4.403 4.786 1.974 1.00 0.00 C ATOM 516 SD MET A 35 5.810 5.670 1.295 1.00 0.00 S ATOM 517 CE MET A 35 7.093 5.066 2.381 1.00 0.00 C ATOM 0 H MET A 35 3.243 0.572 1.409 1.00 0.00 H new ATOM 0 HA MET A 35 2.970 2.916 3.108 1.00 0.00 H new ATOM 0 HB2 MET A 35 5.321 2.859 1.955 1.00 0.00 H new ATOM 0 HB3 MET A 35 4.425 3.244 0.499 1.00 0.00 H new ATOM 0 HG2 MET A 35 3.481 5.251 1.625 1.00 0.00 H new ATOM 0 HG3 MET A 35 4.412 4.872 3.061 1.00 0.00 H new ATOM 0 HE1 MET A 35 7.435 5.876 3.025 1.00 0.00 H new ATOM 0 HE2 MET A 35 6.699 4.256 2.995 1.00 0.00 H new ATOM 0 HE3 MET A 35 7.929 4.697 1.787 1.00 0.00 H new ATOM 527 N VAL A 36 1.536 3.955 1.102 1.00 0.00 N ATOM 528 CA VAL A 36 0.387 4.236 0.248 1.00 0.00 C ATOM 529 C VAL A 36 0.444 5.626 -0.364 1.00 0.00 C ATOM 530 O VAL A 36 1.008 6.555 0.215 1.00 0.00 O ATOM 531 CB VAL A 36 -0.940 4.075 1.007 1.00 0.00 C ATOM 532 CG1 VAL A 36 -2.112 4.525 0.149 1.00 0.00 C ATOM 533 CG2 VAL A 36 -1.116 2.630 1.443 1.00 0.00 C ATOM 0 H VAL A 36 1.914 4.765 1.594 1.00 0.00 H new ATOM 0 HA VAL A 36 0.432 3.502 -0.556 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.913 4.708 1.894 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.040 4.402 0.707 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -1.986 5.574 -0.118 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -2.151 3.922 -0.758 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.059 2.524 1.980 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.124 1.984 0.565 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.292 2.344 2.097 1.00 0.00 H new ATOM 543 N ARG A 37 -0.148 5.751 -1.545 1.00 0.00 N ATOM 544 CA ARG A 37 -0.176 7.018 -2.257 1.00 0.00 C ATOM 545 C ARG A 37 -1.478 7.175 -3.038 1.00 0.00 C ATOM 546 O ARG A 37 -1.825 6.334 -3.866 1.00 0.00 O ATOM 547 CB ARG A 37 1.031 7.113 -3.189 1.00 0.00 C ATOM 548 CG ARG A 37 0.726 6.808 -4.643 1.00 0.00 C ATOM 549 CD ARG A 37 1.781 5.887 -5.230 1.00 0.00 C ATOM 550 NE ARG A 37 1.744 5.867 -6.691 1.00 0.00 N ATOM 551 CZ ARG A 37 1.860 6.953 -7.449 1.00 0.00 C ATOM 552 NH1 ARG A 37 2.046 8.139 -6.888 1.00 0.00 N ATOM 553 NH2 ARG A 37 1.797 6.852 -8.770 1.00 0.00 N ATOM 0 H ARG A 37 -0.617 4.986 -2.030 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.126 7.830 -1.531 1.00 0.00 H new ATOM 0 HB2 ARG A 37 1.449 8.117 -3.121 1.00 0.00 H new ATOM 0 HB3 ARG A 37 1.800 6.424 -2.839 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -0.256 6.342 -4.724 1.00 0.00 H new ATOM 0 HG3 ARG A 37 0.687 7.736 -5.214 1.00 0.00 H new ATOM 0 HD2 ARG A 37 2.768 6.209 -4.897 1.00 0.00 H new ATOM 0 HD3 ARG A 37 1.631 4.876 -4.850 1.00 0.00 H new ATOM 0 HE ARG A 37 1.622 4.967 -7.156 1.00 0.00 H new ATOM 0 HH11 ARG A 37 2.100 8.220 -5.873 1.00 0.00 H new ATOM 0 HH12 ARG A 37 2.135 8.971 -7.471 1.00 0.00 H new ATOM 0 HH21 ARG A 37 1.659 5.940 -9.206 1.00 0.00 H new ATOM 0 HH22 ARG A 37 1.886 7.686 -9.350 1.00 0.00 H new ATOM 567 N ASP A 38 -2.201 8.252 -2.755 1.00 0.00 N ATOM 568 CA ASP A 38 -3.473 8.516 -3.418 1.00 0.00 C ATOM 569 C ASP A 38 -3.292 8.690 -4.922 1.00 0.00 C ATOM 570 O ASP A 38 -2.259 9.175 -5.384 1.00 0.00 O ATOM 571 CB ASP A 38 -4.133 9.761 -2.823 1.00 0.00 C ATOM 572 CG ASP A 38 -5.595 9.878 -3.205 1.00 0.00 C ATOM 573 OD1 ASP A 38 -5.956 9.438 -4.317 1.00 0.00 O ATOM 574 OD2 ASP A 38 -6.381 10.408 -2.391 1.00 0.00 O ATOM 0 H ASP A 38 -1.928 8.957 -2.070 1.00 0.00 H new ATOM 0 HA ASP A 38 -4.119 7.654 -3.253 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -4.045 9.732 -1.737 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -3.599 10.649 -3.162 1.00 0.00 H new ATOM 579 N SER A 39 -4.309 8.290 -5.680 1.00 0.00 N ATOM 580 CA SER A 39 -4.274 8.396 -7.132 1.00 0.00 C ATOM 581 C SER A 39 -5.539 9.070 -7.658 1.00 0.00 C ATOM 582 O SER A 39 -6.569 9.089 -6.985 1.00 0.00 O ATOM 583 CB SER A 39 -4.124 7.009 -7.758 1.00 0.00 C ATOM 584 OG SER A 39 -4.223 7.073 -9.170 1.00 0.00 O ATOM 0 H SER A 39 -5.170 7.888 -5.309 1.00 0.00 H new ATOM 0 HA SER A 39 -3.416 9.008 -7.409 1.00 0.00 H new ATOM 0 HB2 SER A 39 -3.161 6.582 -7.477 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.894 6.345 -7.366 1.00 0.00 H new ATOM 0 HG SER A 39 -3.682 6.360 -9.569 1.00 0.00 H new ATOM 590 N ARG A 40 -5.454 9.618 -8.867 1.00 0.00 N ATOM 591 CA ARG A 40 -6.595 10.289 -9.483 1.00 0.00 C ATOM 592 C ARG A 40 -7.624 9.272 -9.964 1.00 0.00 C ATOM 593 O ARG A 40 -8.759 9.624 -10.286 1.00 0.00 O ATOM 594 CB ARG A 40 -6.131 11.156 -10.656 1.00 0.00 C ATOM 595 CG ARG A 40 -5.929 12.617 -10.289 1.00 0.00 C ATOM 596 CD ARG A 40 -5.114 12.764 -9.015 1.00 0.00 C ATOM 597 NE ARG A 40 -5.961 12.829 -7.827 1.00 0.00 N ATOM 598 CZ ARG A 40 -5.581 13.384 -6.681 1.00 0.00 C ATOM 599 NH1 ARG A 40 -4.372 13.920 -6.570 1.00 0.00 N ATOM 600 NH2 ARG A 40 -6.408 13.405 -5.645 1.00 0.00 N ATOM 0 H ARG A 40 -4.609 9.611 -9.438 1.00 0.00 H new ATOM 0 HA ARG A 40 -7.061 10.927 -8.732 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -5.195 10.755 -11.046 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -6.865 11.090 -11.459 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -5.424 13.132 -11.106 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -6.898 13.098 -10.159 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -4.427 11.922 -8.925 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -4.506 13.666 -9.076 1.00 0.00 H new ATOM 0 HE ARG A 40 -6.896 12.426 -7.880 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -3.733 13.906 -7.365 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -4.082 14.346 -5.690 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -7.338 12.995 -5.727 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -6.114 13.832 -4.766 1.00 0.00 H new ATOM 614 N THR A 41 -7.217 8.008 -10.007 1.00 0.00 N ATOM 615 CA THR A 41 -8.095 6.929 -10.444 1.00 0.00 C ATOM 616 C THR A 41 -9.466 7.037 -9.770 1.00 0.00 C ATOM 617 O THR A 41 -9.797 8.070 -9.190 1.00 0.00 O ATOM 618 CB THR A 41 -7.441 5.581 -10.133 1.00 0.00 C ATOM 619 OG1 THR A 41 -7.739 4.630 -11.140 1.00 0.00 O ATOM 620 CG2 THR A 41 -7.862 4.999 -8.802 1.00 0.00 C ATOM 0 H THR A 41 -6.280 7.705 -9.743 1.00 0.00 H new ATOM 0 HA THR A 41 -8.248 7.009 -11.520 1.00 0.00 H new ATOM 0 HB THR A 41 -6.371 5.786 -10.093 1.00 0.00 H new ATOM 0 HG1 THR A 41 -7.309 3.777 -10.921 1.00 0.00 H new ATOM 0 HG21 THR A 41 -7.360 4.044 -8.647 1.00 0.00 H new ATOM 0 HG22 THR A 41 -7.589 5.686 -8.001 1.00 0.00 H new ATOM 0 HG23 THR A 41 -8.941 4.847 -8.797 1.00 0.00 H new ATOM 628 N PRO A 42 -10.289 5.975 -9.844 1.00 0.00 N ATOM 629 CA PRO A 42 -11.629 5.962 -9.247 1.00 0.00 C ATOM 630 C PRO A 42 -11.693 6.630 -7.872 1.00 0.00 C ATOM 631 O PRO A 42 -12.778 6.825 -7.325 1.00 0.00 O ATOM 632 CB PRO A 42 -11.932 4.472 -9.140 1.00 0.00 C ATOM 633 CG PRO A 42 -11.239 3.878 -10.317 1.00 0.00 C ATOM 634 CD PRO A 42 -9.990 4.697 -10.525 1.00 0.00 C ATOM 0 HA PRO A 42 -12.344 6.528 -9.844 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -11.559 4.055 -8.205 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -13.004 4.280 -9.169 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -10.993 2.831 -10.137 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -11.876 3.908 -11.201 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -9.115 4.209 -10.094 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -9.782 4.847 -11.584 1.00 0.00 H new ATOM 642 N GLY A 43 -10.538 6.987 -7.319 1.00 0.00 N ATOM 643 CA GLY A 43 -10.515 7.635 -6.020 1.00 0.00 C ATOM 644 C GLY A 43 -9.891 6.779 -4.939 1.00 0.00 C ATOM 645 O GLY A 43 -10.058 7.047 -3.749 1.00 0.00 O ATOM 0 H GLY A 43 -9.622 6.840 -7.744 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.962 8.571 -6.098 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -11.534 7.890 -5.730 1.00 0.00 H new ATOM 649 N THR A 44 -9.170 5.751 -5.355 1.00 0.00 N ATOM 650 CA THR A 44 -8.511 4.850 -4.420 1.00 0.00 C ATOM 651 C THR A 44 -7.169 5.411 -3.977 1.00 0.00 C ATOM 652 O THR A 44 -6.896 6.602 -4.129 1.00 0.00 O ATOM 653 CB THR A 44 -8.300 3.485 -5.071 1.00 0.00 C ATOM 654 OG1 THR A 44 -6.959 3.057 -4.919 1.00 0.00 O ATOM 655 CG2 THR A 44 -8.614 3.482 -6.548 1.00 0.00 C ATOM 0 H THR A 44 -9.025 5.518 -6.337 1.00 0.00 H new ATOM 0 HA THR A 44 -9.151 4.744 -3.544 1.00 0.00 H new ATOM 0 HB THR A 44 -8.988 2.810 -4.562 1.00 0.00 H new ATOM 0 HG1 THR A 44 -6.852 2.168 -5.317 1.00 0.00 H new ATOM 0 HG21 THR A 44 -8.445 2.485 -6.954 1.00 0.00 H new ATOM 0 HG22 THR A 44 -9.656 3.763 -6.699 1.00 0.00 H new ATOM 0 HG23 THR A 44 -7.968 4.196 -7.059 1.00 0.00 H new ATOM 663 N TYR A 45 -6.329 4.537 -3.438 1.00 0.00 N ATOM 664 CA TYR A 45 -5.005 4.926 -2.981 1.00 0.00 C ATOM 665 C TYR A 45 -3.963 3.912 -3.436 1.00 0.00 C ATOM 666 O TYR A 45 -4.292 2.763 -3.737 1.00 0.00 O ATOM 667 CB TYR A 45 -4.973 5.042 -1.460 1.00 0.00 C ATOM 668 CG TYR A 45 -6.093 5.868 -0.883 1.00 0.00 C ATOM 669 CD1 TYR A 45 -7.410 5.479 -1.052 1.00 0.00 C ATOM 670 CD2 TYR A 45 -5.834 7.025 -0.165 1.00 0.00 C ATOM 671 CE1 TYR A 45 -8.447 6.220 -0.520 1.00 0.00 C ATOM 672 CE2 TYR A 45 -6.861 7.775 0.373 1.00 0.00 C ATOM 673 CZ TYR A 45 -8.168 7.368 0.193 1.00 0.00 C ATOM 674 OH TYR A 45 -9.196 8.110 0.726 1.00 0.00 O ATOM 0 H TYR A 45 -6.545 3.549 -3.307 1.00 0.00 H new ATOM 0 HA TYR A 45 -4.772 5.898 -3.416 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -5.014 4.042 -1.029 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -4.021 5.480 -1.160 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -7.631 4.581 -1.609 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -4.812 7.345 -0.024 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -9.470 5.903 -0.661 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -6.643 8.674 0.931 1.00 0.00 H new ATOM 0 HH TYR A 45 -8.829 8.886 1.199 1.00 0.00 H new ATOM 684 N THR A 46 -2.705 4.332 -3.474 1.00 0.00 N ATOM 685 CA THR A 46 -1.621 3.445 -3.875 1.00 0.00 C ATOM 686 C THR A 46 -0.940 2.876 -2.639 1.00 0.00 C ATOM 687 O THR A 46 -0.964 3.499 -1.580 1.00 0.00 O ATOM 688 CB THR A 46 -0.603 4.186 -4.734 1.00 0.00 C ATOM 689 OG1 THR A 46 -1.251 4.977 -5.715 1.00 0.00 O ATOM 690 CG2 THR A 46 0.349 3.251 -5.447 1.00 0.00 C ATOM 0 H THR A 46 -2.411 5.278 -3.233 1.00 0.00 H new ATOM 0 HA THR A 46 -2.040 2.631 -4.467 1.00 0.00 H new ATOM 0 HB THR A 46 -0.034 4.812 -4.046 1.00 0.00 H new ATOM 0 HG1 THR A 46 -1.804 5.655 -5.275 1.00 0.00 H new ATOM 0 HG21 THR A 46 1.052 3.833 -6.044 1.00 0.00 H new ATOM 0 HG22 THR A 46 0.898 2.661 -4.713 1.00 0.00 H new ATOM 0 HG23 THR A 46 -0.216 2.584 -6.099 1.00 0.00 H new ATOM 698 N VAL A 47 -0.344 1.694 -2.767 1.00 0.00 N ATOM 699 CA VAL A 47 0.322 1.060 -1.635 1.00 0.00 C ATOM 700 C VAL A 47 1.756 0.660 -1.960 1.00 0.00 C ATOM 701 O VAL A 47 1.989 -0.229 -2.778 1.00 0.00 O ATOM 702 CB VAL A 47 -0.431 -0.201 -1.171 1.00 0.00 C ATOM 703 CG1 VAL A 47 0.480 -1.082 -0.326 1.00 0.00 C ATOM 704 CG2 VAL A 47 -1.690 0.174 -0.404 1.00 0.00 C ATOM 0 H VAL A 47 -0.309 1.160 -3.635 1.00 0.00 H new ATOM 0 HA VAL A 47 0.327 1.806 -0.841 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.733 -0.767 -2.052 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.067 -1.969 -0.006 1.00 0.00 H new ATOM 0 HG12 VAL A 47 1.345 -1.383 -0.917 1.00 0.00 H new ATOM 0 HG13 VAL A 47 0.814 -0.526 0.550 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -2.206 -0.732 -0.086 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -1.420 0.764 0.472 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -2.347 0.759 -1.047 1.00 0.00 H new ATOM 714 N SER A 48 2.714 1.290 -1.288 1.00 0.00 N ATOM 715 CA SER A 48 4.118 0.951 -1.493 1.00 0.00 C ATOM 716 C SER A 48 4.480 -0.237 -0.613 1.00 0.00 C ATOM 717 O SER A 48 4.408 -0.153 0.614 1.00 0.00 O ATOM 718 CB SER A 48 5.052 2.121 -1.159 1.00 0.00 C ATOM 719 OG SER A 48 5.606 1.963 0.135 1.00 0.00 O ATOM 0 H SER A 48 2.548 2.029 -0.605 1.00 0.00 H new ATOM 0 HA SER A 48 4.248 0.709 -2.548 1.00 0.00 H new ATOM 0 HB2 SER A 48 5.851 2.178 -1.898 1.00 0.00 H new ATOM 0 HB3 SER A 48 4.501 3.060 -1.212 1.00 0.00 H new ATOM 0 HG SER A 48 5.184 1.199 0.580 1.00 0.00 H new ATOM 725 N VAL A 49 4.862 -1.339 -1.241 1.00 0.00 N ATOM 726 CA VAL A 49 5.236 -2.543 -0.513 1.00 0.00 C ATOM 727 C VAL A 49 6.596 -3.036 -0.979 1.00 0.00 C ATOM 728 O VAL A 49 6.750 -3.447 -2.129 1.00 0.00 O ATOM 729 CB VAL A 49 4.195 -3.661 -0.710 1.00 0.00 C ATOM 730 CG1 VAL A 49 2.819 -3.196 -0.259 1.00 0.00 C ATOM 731 CG2 VAL A 49 4.164 -4.110 -2.163 1.00 0.00 C ATOM 0 H VAL A 49 4.921 -1.425 -2.256 1.00 0.00 H new ATOM 0 HA VAL A 49 5.279 -2.290 0.546 1.00 0.00 H new ATOM 0 HB VAL A 49 4.484 -4.514 -0.095 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.097 -3.999 -0.406 1.00 0.00 H new ATOM 0 HG12 VAL A 49 2.854 -2.928 0.797 1.00 0.00 H new ATOM 0 HG13 VAL A 49 2.519 -2.327 -0.844 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.423 -4.900 -2.284 1.00 0.00 H new ATOM 0 HG22 VAL A 49 3.901 -3.265 -2.799 1.00 0.00 H new ATOM 0 HG23 VAL A 49 5.146 -4.487 -2.448 1.00 0.00 H new ATOM 741 N PHE A 50 7.592 -2.982 -0.099 1.00 0.00 N ATOM 742 CA PHE A 50 8.932 -3.420 -0.480 1.00 0.00 C ATOM 743 C PHE A 50 9.574 -4.325 0.568 1.00 0.00 C ATOM 744 O PHE A 50 9.372 -4.155 1.779 1.00 0.00 O ATOM 745 CB PHE A 50 9.817 -2.209 -0.792 1.00 0.00 C ATOM 746 CG PHE A 50 10.831 -1.870 0.261 1.00 0.00 C ATOM 747 CD1 PHE A 50 10.438 -1.329 1.472 1.00 0.00 C ATOM 748 CD2 PHE A 50 12.182 -2.065 0.025 1.00 0.00 C ATOM 749 CE1 PHE A 50 11.373 -0.989 2.430 1.00 0.00 C ATOM 750 CE2 PHE A 50 13.122 -1.731 0.980 1.00 0.00 C ATOM 751 CZ PHE A 50 12.716 -1.190 2.183 1.00 0.00 C ATOM 0 H PHE A 50 7.502 -2.648 0.861 1.00 0.00 H new ATOM 0 HA PHE A 50 8.834 -4.023 -1.382 1.00 0.00 H new ATOM 0 HB2 PHE A 50 10.339 -2.393 -1.731 1.00 0.00 H new ATOM 0 HB3 PHE A 50 9.176 -1.342 -0.949 1.00 0.00 H new ATOM 0 HD1 PHE A 50 9.388 -1.171 1.671 1.00 0.00 H new ATOM 0 HD2 PHE A 50 12.504 -2.483 -0.917 1.00 0.00 H new ATOM 0 HE1 PHE A 50 11.054 -0.566 3.371 1.00 0.00 H new ATOM 0 HE2 PHE A 50 14.172 -1.893 0.786 1.00 0.00 H new ATOM 0 HZ PHE A 50 13.449 -0.924 2.931 1.00 0.00 H new ATOM 761 N THR A 51 10.337 -5.306 0.074 1.00 0.00 N ATOM 762 CA THR A 51 11.008 -6.277 0.933 1.00 0.00 C ATOM 763 C THR A 51 12.336 -6.732 0.350 1.00 0.00 C ATOM 764 O THR A 51 12.366 -7.594 -0.529 1.00 0.00 O ATOM 765 CB THR A 51 10.131 -7.514 1.084 1.00 0.00 C ATOM 766 OG1 THR A 51 9.260 -7.400 2.190 1.00 0.00 O ATOM 767 CG2 THR A 51 10.931 -8.785 1.249 1.00 0.00 C ATOM 0 H THR A 51 10.503 -5.445 -0.923 1.00 0.00 H new ATOM 0 HA THR A 51 11.185 -5.788 1.891 1.00 0.00 H new ATOM 0 HB THR A 51 9.560 -7.574 0.157 1.00 0.00 H new ATOM 0 HG1 THR A 51 9.202 -8.263 2.651 1.00 0.00 H new ATOM 0 HG21 THR A 51 10.252 -9.631 1.352 1.00 0.00 H new ATOM 0 HG22 THR A 51 11.565 -8.932 0.374 1.00 0.00 H new ATOM 0 HG23 THR A 51 11.554 -8.709 2.140 1.00 0.00 H new ATOM 775 N LYS A 52 13.435 -6.198 0.858 1.00 0.00 N ATOM 776 CA LYS A 52 14.735 -6.618 0.388 1.00 0.00 C ATOM 777 C LYS A 52 14.686 -8.092 -0.019 1.00 0.00 C ATOM 778 O LYS A 52 14.619 -8.991 0.818 1.00 0.00 O ATOM 779 CB LYS A 52 15.791 -6.406 1.474 1.00 0.00 C ATOM 780 CG LYS A 52 17.206 -6.718 1.015 1.00 0.00 C ATOM 781 CD LYS A 52 17.401 -6.387 -0.456 1.00 0.00 C ATOM 782 CE LYS A 52 18.800 -5.860 -0.728 1.00 0.00 C ATOM 783 NZ LYS A 52 18.817 -4.379 -0.879 1.00 0.00 N ATOM 0 H LYS A 52 13.449 -5.483 1.585 1.00 0.00 H new ATOM 0 HA LYS A 52 15.007 -6.016 -0.479 1.00 0.00 H new ATOM 0 HB2 LYS A 52 15.748 -5.371 1.814 1.00 0.00 H new ATOM 0 HB3 LYS A 52 15.549 -7.034 2.332 1.00 0.00 H new ATOM 0 HG2 LYS A 52 17.917 -6.150 1.614 1.00 0.00 H new ATOM 0 HG3 LYS A 52 17.419 -7.774 1.183 1.00 0.00 H new ATOM 0 HD2 LYS A 52 17.224 -7.279 -1.057 1.00 0.00 H new ATOM 0 HD3 LYS A 52 16.665 -5.644 -0.763 1.00 0.00 H new ATOM 0 HE2 LYS A 52 19.462 -6.149 0.089 1.00 0.00 H new ATOM 0 HE3 LYS A 52 19.192 -6.322 -1.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 19.789 -4.029 -0.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 18.472 -4.123 -1.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 18.202 -3.949 -0.158 1.00 0.00 H new ATOM 797 N ALA A 53 14.730 -8.305 -1.330 1.00 0.00 N ATOM 798 CA ALA A 53 14.702 -9.639 -1.898 1.00 0.00 C ATOM 799 C ALA A 53 15.166 -9.645 -3.352 1.00 0.00 C ATOM 800 O ALA A 53 14.532 -10.256 -4.212 1.00 0.00 O ATOM 801 CB ALA A 53 13.299 -10.212 -1.784 1.00 0.00 C ATOM 0 H ALA A 53 14.786 -7.558 -2.022 1.00 0.00 H new ATOM 0 HA ALA A 53 15.396 -10.263 -1.335 1.00 0.00 H new ATOM 0 HB1 ALA A 53 13.280 -11.215 -2.211 1.00 0.00 H new ATOM 0 HB2 ALA A 53 13.009 -10.259 -0.734 1.00 0.00 H new ATOM 0 HB3 ALA A 53 12.600 -9.574 -2.325 1.00 0.00 H new ATOM 807 N ILE A 54 16.280 -8.970 -3.617 1.00 0.00 N ATOM 808 CA ILE A 54 16.834 -8.905 -4.966 1.00 0.00 C ATOM 809 C ILE A 54 18.265 -8.382 -4.945 1.00 0.00 C ATOM 810 O ILE A 54 18.500 -7.195 -4.719 1.00 0.00 O ATOM 811 CB ILE A 54 15.987 -8.006 -5.887 1.00 0.00 C ATOM 812 CG1 ILE A 54 14.563 -8.553 -6.009 1.00 0.00 C ATOM 813 CG2 ILE A 54 16.636 -7.894 -7.258 1.00 0.00 C ATOM 814 CD1 ILE A 54 13.653 -8.131 -4.876 1.00 0.00 C ATOM 0 H ILE A 54 16.817 -8.460 -2.916 1.00 0.00 H new ATOM 0 HA ILE A 54 16.823 -9.922 -5.358 1.00 0.00 H new ATOM 0 HB ILE A 54 15.934 -7.010 -5.447 1.00 0.00 H new ATOM 0 HG12 ILE A 54 14.134 -8.218 -6.953 1.00 0.00 H new ATOM 0 HG13 ILE A 54 14.603 -9.642 -6.046 1.00 0.00 H new ATOM 0 HG21 ILE A 54 16.027 -7.256 -7.898 1.00 0.00 H new ATOM 0 HG22 ILE A 54 17.631 -7.461 -7.155 1.00 0.00 H new ATOM 0 HG23 ILE A 54 16.716 -8.885 -7.705 1.00 0.00 H new ATOM 0 HD11 ILE A 54 12.661 -8.555 -5.029 1.00 0.00 H new ATOM 0 HD12 ILE A 54 14.059 -8.490 -3.930 1.00 0.00 H new ATOM 0 HD13 ILE A 54 13.583 -7.044 -4.852 1.00 0.00 H new ATOM 826 N ILE A 55 19.221 -9.276 -5.182 1.00 0.00 N ATOM 827 CA ILE A 55 20.631 -8.904 -5.189 1.00 0.00 C ATOM 828 C ILE A 55 21.033 -8.297 -6.529 1.00 0.00 C ATOM 829 O ILE A 55 22.128 -7.753 -6.670 1.00 0.00 O ATOM 830 CB ILE A 55 21.533 -10.117 -4.896 1.00 0.00 C ATOM 831 CG1 ILE A 55 21.800 -10.231 -3.394 1.00 0.00 C ATOM 832 CG2 ILE A 55 22.841 -10.002 -5.664 1.00 0.00 C ATOM 833 CD1 ILE A 55 22.559 -9.053 -2.824 1.00 0.00 C ATOM 0 H ILE A 55 19.044 -10.263 -5.372 1.00 0.00 H new ATOM 0 HA ILE A 55 20.766 -8.162 -4.402 1.00 0.00 H new ATOM 0 HB ILE A 55 21.019 -11.021 -5.224 1.00 0.00 H new ATOM 0 HG12 ILE A 55 20.849 -10.328 -2.870 1.00 0.00 H new ATOM 0 HG13 ILE A 55 22.364 -11.144 -3.202 1.00 0.00 H new ATOM 0 HG21 ILE A 55 23.468 -10.867 -5.446 1.00 0.00 H new ATOM 0 HG22 ILE A 55 22.633 -9.964 -6.733 1.00 0.00 H new ATOM 0 HG23 ILE A 55 23.361 -9.092 -5.363 1.00 0.00 H new ATOM 0 HD11 ILE A 55 22.713 -9.202 -1.755 1.00 0.00 H new ATOM 0 HD12 ILE A 55 23.525 -8.968 -3.321 1.00 0.00 H new ATOM 0 HD13 ILE A 55 21.987 -8.139 -2.985 1.00 0.00 H new ATOM 845 N SER A 56 20.141 -8.393 -7.509 1.00 0.00 N ATOM 846 CA SER A 56 20.403 -7.851 -8.837 1.00 0.00 C ATOM 847 C SER A 56 19.374 -6.788 -9.205 1.00 0.00 C ATOM 848 O SER A 56 18.930 -6.710 -10.350 1.00 0.00 O ATOM 849 CB SER A 56 20.391 -8.973 -9.879 1.00 0.00 C ATOM 850 OG SER A 56 19.105 -9.560 -9.980 1.00 0.00 O ATOM 0 H SER A 56 19.230 -8.841 -7.409 1.00 0.00 H new ATOM 0 HA SER A 56 21.389 -7.386 -8.824 1.00 0.00 H new ATOM 0 HB2 SER A 56 20.691 -8.576 -10.849 1.00 0.00 H new ATOM 0 HB3 SER A 56 21.122 -9.735 -9.607 1.00 0.00 H new ATOM 0 HG SER A 56 19.122 -10.272 -10.653 1.00 0.00 H new ATOM 856 N GLU A 57 18.999 -5.973 -8.224 1.00 0.00 N ATOM 857 CA GLU A 57 18.021 -4.912 -8.439 1.00 0.00 C ATOM 858 C GLU A 57 17.060 -4.816 -7.259 1.00 0.00 C ATOM 859 O GLU A 57 16.080 -5.558 -7.183 1.00 0.00 O ATOM 860 CB GLU A 57 17.238 -5.162 -9.730 1.00 0.00 C ATOM 861 CG GLU A 57 15.982 -4.316 -9.853 1.00 0.00 C ATOM 862 CD GLU A 57 15.123 -4.716 -11.036 1.00 0.00 C ATOM 863 OE1 GLU A 57 15.287 -5.851 -11.531 1.00 0.00 O ATOM 864 OE2 GLU A 57 14.288 -3.895 -11.468 1.00 0.00 O ATOM 0 H GLU A 57 19.358 -6.027 -7.271 1.00 0.00 H new ATOM 0 HA GLU A 57 18.559 -3.968 -8.528 1.00 0.00 H new ATOM 0 HB2 GLU A 57 17.886 -4.961 -10.583 1.00 0.00 H new ATOM 0 HB3 GLU A 57 16.963 -6.215 -9.780 1.00 0.00 H new ATOM 0 HG2 GLU A 57 15.397 -4.405 -8.937 1.00 0.00 H new ATOM 0 HG3 GLU A 57 16.263 -3.267 -9.951 1.00 0.00 H new ATOM 871 N ASN A 58 17.349 -3.903 -6.339 1.00 0.00 N ATOM 872 CA ASN A 58 16.511 -3.715 -5.161 1.00 0.00 C ATOM 873 C ASN A 58 16.939 -2.475 -4.380 1.00 0.00 C ATOM 874 O ASN A 58 17.780 -1.704 -4.841 1.00 0.00 O ATOM 875 CB ASN A 58 16.580 -4.953 -4.267 1.00 0.00 C ATOM 876 CG ASN A 58 15.222 -5.593 -4.067 1.00 0.00 C ATOM 877 OD1 ASN A 58 14.890 -5.902 -2.821 1.00 0.00 O flip ATOM 878 ND2 ASN A 58 14.476 -5.804 -5.023 1.00 0.00 N flip ATOM 0 H ASN A 58 18.157 -3.282 -6.386 1.00 0.00 H new ATOM 0 HA ASN A 58 15.482 -3.570 -5.491 1.00 0.00 H new ATOM 0 HB2 ASN A 58 17.261 -5.681 -4.709 1.00 0.00 H new ATOM 0 HB3 ASN A 58 16.995 -4.676 -3.298 1.00 0.00 H new ATOM 0 HD21 ASN A 58 14.771 -5.550 -5.966 1.00 0.00 H new ATOM 0 HD22 ASN A 58 13.563 -6.232 -4.872 1.00 0.00 H new ATOM 885 N PRO A 59 16.359 -2.259 -3.186 1.00 0.00 N ATOM 886 CA PRO A 59 15.351 -3.156 -2.603 1.00 0.00 C ATOM 887 C PRO A 59 14.150 -3.375 -3.519 1.00 0.00 C ATOM 888 O PRO A 59 14.048 -2.770 -4.587 1.00 0.00 O ATOM 889 CB PRO A 59 14.921 -2.430 -1.325 1.00 0.00 C ATOM 890 CG PRO A 59 16.075 -1.554 -0.986 1.00 0.00 C ATOM 891 CD PRO A 59 16.653 -1.119 -2.303 1.00 0.00 C ATOM 0 HA PRO A 59 15.756 -4.153 -2.431 1.00 0.00 H new ATOM 0 HB2 PRO A 59 14.014 -1.847 -1.486 1.00 0.00 H new ATOM 0 HB3 PRO A 59 14.708 -3.135 -0.521 1.00 0.00 H new ATOM 0 HG2 PRO A 59 15.755 -0.695 -0.396 1.00 0.00 H new ATOM 0 HG3 PRO A 59 16.814 -2.092 -0.392 1.00 0.00 H new ATOM 0 HD2 PRO A 59 16.191 -0.200 -2.663 1.00 0.00 H new ATOM 0 HD3 PRO A 59 17.724 -0.930 -2.231 1.00 0.00 H new ATOM 899 N CYS A 60 13.251 -4.256 -3.093 1.00 0.00 N ATOM 900 CA CYS A 60 12.060 -4.581 -3.868 1.00 0.00 C ATOM 901 C CYS A 60 10.857 -3.760 -3.417 1.00 0.00 C ATOM 902 O CYS A 60 10.178 -4.128 -2.462 1.00 0.00 O ATOM 903 CB CYS A 60 11.741 -6.072 -3.731 1.00 0.00 C ATOM 904 SG CYS A 60 10.731 -6.740 -5.074 1.00 0.00 S ATOM 0 H CYS A 60 13.326 -4.760 -2.210 1.00 0.00 H new ATOM 0 HA CYS A 60 12.265 -4.339 -4.911 1.00 0.00 H new ATOM 0 HB2 CYS A 60 12.676 -6.629 -3.683 1.00 0.00 H new ATOM 0 HB3 CYS A 60 11.223 -6.236 -2.786 1.00 0.00 H new ATOM 0 HG CYS A 60 10.606 -8.025 -4.925 1.00 0.00 H new ATOM 910 N ILE A 61 10.588 -2.659 -4.113 1.00 0.00 N ATOM 911 CA ILE A 61 9.451 -1.809 -3.773 1.00 0.00 C ATOM 912 C ILE A 61 8.335 -1.948 -4.796 1.00 0.00 C ATOM 913 O ILE A 61 8.466 -1.506 -5.938 1.00 0.00 O ATOM 914 CB ILE A 61 9.834 -0.320 -3.676 1.00 0.00 C ATOM 915 CG1 ILE A 61 11.344 -0.162 -3.485 1.00 0.00 C ATOM 916 CG2 ILE A 61 9.068 0.344 -2.536 1.00 0.00 C ATOM 917 CD1 ILE A 61 11.892 -0.950 -2.318 1.00 0.00 C ATOM 0 H ILE A 61 11.137 -2.336 -4.910 1.00 0.00 H new ATOM 0 HA ILE A 61 9.110 -2.149 -2.795 1.00 0.00 H new ATOM 0 HB ILE A 61 9.562 0.174 -4.609 1.00 0.00 H new ATOM 0 HG12 ILE A 61 11.852 -0.478 -4.396 1.00 0.00 H new ATOM 0 HG13 ILE A 61 11.575 0.893 -3.340 1.00 0.00 H new ATOM 0 HG21 ILE A 61 9.346 1.396 -2.476 1.00 0.00 H new ATOM 0 HG22 ILE A 61 7.997 0.261 -2.721 1.00 0.00 H new ATOM 0 HG23 ILE A 61 9.313 -0.151 -1.596 1.00 0.00 H new ATOM 0 HD11 ILE A 61 12.968 -0.790 -2.244 1.00 0.00 H new ATOM 0 HD12 ILE A 61 11.411 -0.619 -1.397 1.00 0.00 H new ATOM 0 HD13 ILE A 61 11.693 -2.011 -2.470 1.00 0.00 H new ATOM 929 N LYS A 62 7.232 -2.548 -4.376 1.00 0.00 N ATOM 930 CA LYS A 62 6.084 -2.726 -5.251 1.00 0.00 C ATOM 931 C LYS A 62 4.968 -1.781 -4.849 1.00 0.00 C ATOM 932 O LYS A 62 4.657 -1.642 -3.666 1.00 0.00 O ATOM 933 CB LYS A 62 5.574 -4.160 -5.200 1.00 0.00 C ATOM 934 CG LYS A 62 4.870 -4.581 -6.477 1.00 0.00 C ATOM 935 CD LYS A 62 4.359 -6.009 -6.396 1.00 0.00 C ATOM 936 CE LYS A 62 2.993 -6.138 -7.045 1.00 0.00 C ATOM 937 NZ LYS A 62 2.494 -7.540 -7.021 1.00 0.00 N ATOM 0 H LYS A 62 7.108 -2.920 -3.434 1.00 0.00 H new ATOM 0 HA LYS A 62 6.402 -2.504 -6.270 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.412 -4.832 -5.014 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.887 -4.267 -4.360 1.00 0.00 H new ATOM 0 HG2 LYS A 62 4.036 -3.907 -6.671 1.00 0.00 H new ATOM 0 HG3 LYS A 62 5.557 -4.488 -7.318 1.00 0.00 H new ATOM 0 HD2 LYS A 62 5.064 -6.679 -6.888 1.00 0.00 H new ATOM 0 HD3 LYS A 62 4.300 -6.319 -5.353 1.00 0.00 H new ATOM 0 HE2 LYS A 62 2.284 -5.492 -6.528 1.00 0.00 H new ATOM 0 HE3 LYS A 62 3.048 -5.790 -8.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 1.599 -7.599 -7.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 3.197 -8.166 -7.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.336 -7.836 -6.036 1.00 0.00 H new ATOM 951 N HIS A 63 4.361 -1.134 -5.832 1.00 0.00 N ATOM 952 CA HIS A 63 3.281 -0.211 -5.555 1.00 0.00 C ATOM 953 C HIS A 63 1.935 -0.865 -5.824 1.00 0.00 C ATOM 954 O HIS A 63 1.553 -1.085 -6.973 1.00 0.00 O ATOM 955 CB HIS A 63 3.434 1.044 -6.412 1.00 0.00 C ATOM 956 CG HIS A 63 4.858 1.465 -6.606 1.00 0.00 C ATOM 957 ND1 HIS A 63 5.635 1.432 -7.718 1.00 0.00 N flip ATOM 958 CD2 HIS A 63 5.647 1.985 -5.605 1.00 0.00 C flip ATOM 959 CE1 HIS A 63 6.897 1.929 -7.407 1.00 0.00 C flip ATOM 960 NE2 HIS A 63 6.853 2.248 -6.128 1.00 0.00 N flip ATOM 0 H HIS A 63 4.598 -1.232 -6.819 1.00 0.00 H new ATOM 0 HA HIS A 63 3.325 0.068 -4.502 1.00 0.00 H new ATOM 0 HB2 HIS A 63 2.980 0.866 -7.387 1.00 0.00 H new ATOM 0 HB3 HIS A 63 2.882 1.861 -5.948 1.00 0.00 H new ATOM 0 HD1 HIS A 63 5.341 1.096 -8.635 1.00 0.00 H new ATOM 0 HD2 HIS A 63 5.348 2.151 -4.581 1.00 0.00 H new ATOM 0 HE1 HIS A 63 7.739 2.032 -8.075 1.00 0.00 H new ATOM 968 N TYR A 64 1.217 -1.163 -4.751 1.00 0.00 N ATOM 969 CA TYR A 64 -0.095 -1.779 -4.855 1.00 0.00 C ATOM 970 C TYR A 64 -1.184 -0.730 -4.748 1.00 0.00 C ATOM 971 O TYR A 64 -1.284 -0.031 -3.740 1.00 0.00 O ATOM 972 CB TYR A 64 -0.278 -2.819 -3.758 1.00 0.00 C ATOM 973 CG TYR A 64 0.518 -4.064 -4.016 1.00 0.00 C ATOM 974 CD1 TYR A 64 1.899 -4.011 -4.072 1.00 0.00 C ATOM 975 CD2 TYR A 64 -0.107 -5.284 -4.221 1.00 0.00 C ATOM 976 CE1 TYR A 64 2.641 -5.140 -4.321 1.00 0.00 C ATOM 977 CE2 TYR A 64 0.629 -6.422 -4.474 1.00 0.00 C ATOM 978 CZ TYR A 64 2.005 -6.346 -4.523 1.00 0.00 C ATOM 979 OH TYR A 64 2.746 -7.478 -4.774 1.00 0.00 O ATOM 0 H TYR A 64 1.524 -0.987 -3.794 1.00 0.00 H new ATOM 0 HA TYR A 64 -0.167 -2.267 -5.827 1.00 0.00 H new ATOM 0 HB2 TYR A 64 0.021 -2.391 -2.801 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -1.334 -3.076 -3.676 1.00 0.00 H new ATOM 0 HD1 TYR A 64 2.402 -3.068 -3.918 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -1.185 -5.344 -4.182 1.00 0.00 H new ATOM 0 HE1 TYR A 64 3.719 -5.083 -4.358 1.00 0.00 H new ATOM 0 HE2 TYR A 64 0.131 -7.367 -4.633 1.00 0.00 H new ATOM 0 HH TYR A 64 3.583 -7.440 -4.266 1.00 0.00 H new ATOM 989 N HIS A 65 -2.005 -0.620 -5.779 1.00 0.00 N ATOM 990 CA HIS A 65 -3.081 0.348 -5.756 1.00 0.00 C ATOM 991 C HIS A 65 -4.331 -0.270 -5.174 1.00 0.00 C ATOM 992 O HIS A 65 -4.612 -1.450 -5.383 1.00 0.00 O ATOM 993 CB HIS A 65 -3.379 0.910 -7.138 1.00 0.00 C ATOM 994 CG HIS A 65 -3.653 2.368 -7.093 1.00 0.00 C ATOM 995 ND1 HIS A 65 -3.660 3.091 -5.932 1.00 0.00 N ATOM 996 CD2 HIS A 65 -3.932 3.239 -8.083 1.00 0.00 C ATOM 997 CE1 HIS A 65 -3.935 4.358 -6.241 1.00 0.00 C ATOM 998 NE2 HIS A 65 -4.109 4.506 -7.539 1.00 0.00 N ATOM 0 H HIS A 65 -1.947 -1.181 -6.629 1.00 0.00 H new ATOM 0 HA HIS A 65 -2.754 1.175 -5.126 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -2.533 0.719 -7.798 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -4.238 0.392 -7.564 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -3.486 2.725 -4.996 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -4.006 2.992 -9.132 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -4.006 5.160 -5.521 1.00 0.00 H new ATOM 1006 N ILE A 66 -5.080 0.530 -4.439 1.00 0.00 N ATOM 1007 CA ILE A 66 -6.301 0.045 -3.826 1.00 0.00 C ATOM 1008 C ILE A 66 -7.450 0.102 -4.819 1.00 0.00 C ATOM 1009 O ILE A 66 -7.975 1.172 -5.118 1.00 0.00 O ATOM 1010 CB ILE A 66 -6.666 0.860 -2.567 1.00 0.00 C ATOM 1011 CG1 ILE A 66 -5.409 1.413 -1.896 1.00 0.00 C ATOM 1012 CG2 ILE A 66 -7.441 -0.003 -1.584 1.00 0.00 C ATOM 1013 CD1 ILE A 66 -4.154 0.628 -2.214 1.00 0.00 C ATOM 0 H ILE A 66 -4.867 1.510 -4.253 1.00 0.00 H new ATOM 0 HA ILE A 66 -6.128 -0.989 -3.527 1.00 0.00 H new ATOM 0 HB ILE A 66 -7.292 1.697 -2.875 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -5.268 2.448 -2.206 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -5.558 1.421 -0.816 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -7.691 0.586 -0.701 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -8.358 -0.358 -2.055 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -6.831 -0.857 -1.290 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -3.303 1.079 -1.703 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -4.274 -0.402 -1.878 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -3.980 0.641 -3.290 1.00 0.00 H new ATOM 1025 N LYS A 67 -7.843 -1.060 -5.322 1.00 0.00 N ATOM 1026 CA LYS A 67 -8.939 -1.140 -6.273 1.00 0.00 C ATOM 1027 C LYS A 67 -10.235 -0.747 -5.586 1.00 0.00 C ATOM 1028 O LYS A 67 -10.427 -1.057 -4.412 1.00 0.00 O ATOM 1029 CB LYS A 67 -9.048 -2.552 -6.851 1.00 0.00 C ATOM 1030 CG LYS A 67 -9.943 -2.640 -8.076 1.00 0.00 C ATOM 1031 CD LYS A 67 -9.542 -1.622 -9.133 1.00 0.00 C ATOM 1032 CE LYS A 67 -8.034 -1.446 -9.194 1.00 0.00 C ATOM 1033 NZ LYS A 67 -7.400 -2.411 -10.135 1.00 0.00 N ATOM 0 H LYS A 67 -7.419 -1.958 -5.087 1.00 0.00 H new ATOM 0 HA LYS A 67 -8.746 -0.452 -7.096 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -8.051 -2.906 -7.113 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -9.432 -3.222 -6.082 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -9.888 -3.644 -8.497 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -10.980 -2.473 -7.783 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -9.911 -1.943 -10.107 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -10.012 -0.664 -8.913 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -7.800 -0.428 -9.505 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -7.612 -1.580 -8.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -6.371 -2.258 -10.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -7.602 -3.383 -9.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -7.783 -2.267 -11.091 1.00 0.00 H new ATOM 1047 N GLU A 68 -11.108 -0.051 -6.310 1.00 0.00 N ATOM 1048 CA GLU A 68 -12.380 0.407 -5.753 1.00 0.00 C ATOM 1049 C GLU A 68 -13.559 -0.268 -6.452 1.00 0.00 C ATOM 1050 O GLU A 68 -13.571 -0.399 -7.675 1.00 0.00 O ATOM 1051 CB GLU A 68 -12.498 1.926 -5.916 1.00 0.00 C ATOM 1052 CG GLU A 68 -12.202 2.713 -4.650 1.00 0.00 C ATOM 1053 CD GLU A 68 -10.941 2.249 -3.948 1.00 0.00 C ATOM 1054 OE1 GLU A 68 -10.324 1.273 -4.420 1.00 0.00 O ATOM 1055 OE2 GLU A 68 -10.571 2.863 -2.925 1.00 0.00 O ATOM 0 H GLU A 68 -10.958 0.209 -7.285 1.00 0.00 H new ATOM 0 HA GLU A 68 -12.404 0.143 -4.696 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -11.814 2.250 -6.700 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -13.506 2.167 -6.253 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -12.105 3.770 -4.899 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -13.046 2.623 -3.967 1.00 0.00 H new ATOM 1062 N THR A 69 -14.551 -0.696 -5.669 1.00 0.00 N ATOM 1063 CA THR A 69 -15.725 -1.353 -6.229 1.00 0.00 C ATOM 1064 C THR A 69 -16.982 -0.977 -5.452 1.00 0.00 C ATOM 1065 O THR A 69 -16.905 -0.499 -4.320 1.00 0.00 O ATOM 1066 CB THR A 69 -15.540 -2.871 -6.216 1.00 0.00 C ATOM 1067 OG1 THR A 69 -16.688 -3.512 -5.690 1.00 0.00 O ATOM 1068 CG2 THR A 69 -14.347 -3.322 -5.399 1.00 0.00 C ATOM 0 H THR A 69 -14.562 -0.599 -4.654 1.00 0.00 H new ATOM 0 HA THR A 69 -15.842 -1.016 -7.259 1.00 0.00 H new ATOM 0 HB THR A 69 -15.374 -3.150 -7.256 1.00 0.00 H new ATOM 0 HG1 THR A 69 -16.539 -4.480 -5.664 1.00 0.00 H new ATOM 0 HG21 THR A 69 -14.274 -4.409 -5.432 1.00 0.00 H new ATOM 0 HG22 THR A 69 -13.438 -2.884 -5.811 1.00 0.00 H new ATOM 0 HG23 THR A 69 -14.470 -2.998 -4.366 1.00 0.00 H new ATOM 1076 N ASN A 70 -18.139 -1.199 -6.065 1.00 0.00 N ATOM 1077 CA ASN A 70 -19.411 -0.888 -5.426 1.00 0.00 C ATOM 1078 C ASN A 70 -19.810 -2.001 -4.465 1.00 0.00 C ATOM 1079 O ASN A 70 -20.991 -2.310 -4.309 1.00 0.00 O ATOM 1080 CB ASN A 70 -20.503 -0.690 -6.480 1.00 0.00 C ATOM 1081 CG ASN A 70 -20.030 -1.039 -7.878 1.00 0.00 C ATOM 1082 OD1 ASN A 70 -19.022 -0.320 -8.358 1.00 0.00 O flip ATOM 1083 ND2 ASN A 70 -20.564 -1.945 -8.518 1.00 0.00 N flip ATOM 0 H ASN A 70 -18.222 -1.593 -7.002 1.00 0.00 H new ATOM 0 HA ASN A 70 -19.295 0.037 -4.862 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -21.365 -1.308 -6.227 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -20.838 0.347 -6.461 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -21.336 -2.472 -8.109 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -20.234 -2.169 -9.457 1.00 0.00 H new ATOM 1090 N ASP A 71 -18.811 -2.604 -3.825 1.00 0.00 N ATOM 1091 CA ASP A 71 -19.051 -3.688 -2.882 1.00 0.00 C ATOM 1092 C ASP A 71 -19.542 -3.152 -1.550 1.00 0.00 C ATOM 1093 O ASP A 71 -19.623 -3.876 -0.558 1.00 0.00 O ATOM 1094 CB ASP A 71 -17.775 -4.497 -2.678 1.00 0.00 C ATOM 1095 CG ASP A 71 -17.250 -5.090 -3.970 1.00 0.00 C ATOM 1096 OD1 ASP A 71 -18.059 -5.662 -4.732 1.00 0.00 O ATOM 1097 OD2 ASP A 71 -16.032 -4.984 -4.221 1.00 0.00 O ATOM 0 H ASP A 71 -17.828 -2.359 -3.944 1.00 0.00 H new ATOM 0 HA ASP A 71 -19.824 -4.334 -3.297 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -17.010 -3.857 -2.238 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -17.967 -5.299 -1.966 1.00 0.00 H new ATOM 1102 N SER A 72 -19.866 -1.876 -1.548 1.00 0.00 N ATOM 1103 CA SER A 72 -20.356 -1.204 -0.350 1.00 0.00 C ATOM 1104 C SER A 72 -20.843 -2.218 0.681 1.00 0.00 C ATOM 1105 O SER A 72 -21.679 -3.071 0.382 1.00 0.00 O ATOM 1106 CB SER A 72 -21.487 -0.239 -0.707 1.00 0.00 C ATOM 1107 OG SER A 72 -21.614 -0.099 -2.112 1.00 0.00 O ATOM 0 H SER A 72 -19.800 -1.273 -2.368 1.00 0.00 H new ATOM 0 HA SER A 72 -19.530 -0.640 0.083 1.00 0.00 H new ATOM 0 HB2 SER A 72 -22.425 -0.603 -0.288 1.00 0.00 H new ATOM 0 HB3 SER A 72 -21.294 0.735 -0.257 1.00 0.00 H new ATOM 0 HG SER A 72 -22.345 0.522 -2.314 1.00 0.00 H new ATOM 1113 N PRO A 73 -20.322 -2.134 1.914 1.00 0.00 N ATOM 1114 CA PRO A 73 -19.326 -1.125 2.287 1.00 0.00 C ATOM 1115 C PRO A 73 -17.989 -1.344 1.587 1.00 0.00 C ATOM 1116 O PRO A 73 -17.172 -0.429 1.487 1.00 0.00 O ATOM 1117 CB PRO A 73 -19.175 -1.312 3.800 1.00 0.00 C ATOM 1118 CG PRO A 73 -19.596 -2.718 4.054 1.00 0.00 C ATOM 1119 CD PRO A 73 -20.665 -3.019 3.040 1.00 0.00 C ATOM 0 HA PRO A 73 -19.637 -0.121 1.998 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -18.146 -1.144 4.119 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -19.799 -0.607 4.350 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -18.754 -3.403 3.949 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -19.977 -2.834 5.069 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -20.655 -4.068 2.745 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -21.661 -2.807 3.430 1.00 0.00 H new ATOM 1127 N LYS A 74 -17.775 -2.562 1.101 1.00 0.00 N ATOM 1128 CA LYS A 74 -16.538 -2.901 0.407 1.00 0.00 C ATOM 1129 C LYS A 74 -16.454 -2.189 -0.931 1.00 0.00 C ATOM 1130 O LYS A 74 -17.447 -2.055 -1.645 1.00 0.00 O ATOM 1131 CB LYS A 74 -16.429 -4.413 0.211 1.00 0.00 C ATOM 1132 CG LYS A 74 -17.136 -5.219 1.288 1.00 0.00 C ATOM 1133 CD LYS A 74 -18.189 -6.142 0.694 1.00 0.00 C ATOM 1134 CE LYS A 74 -17.554 -7.259 -0.118 1.00 0.00 C ATOM 1135 NZ LYS A 74 -18.034 -8.601 0.311 1.00 0.00 N ATOM 0 H LYS A 74 -18.442 -3.330 1.175 1.00 0.00 H new ATOM 0 HA LYS A 74 -15.704 -2.568 1.024 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -16.847 -4.676 -0.761 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -15.376 -4.693 0.192 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -16.405 -5.808 1.841 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -17.605 -4.542 2.001 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -18.793 -6.570 1.494 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -18.863 -5.567 0.059 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -17.780 -7.113 -1.174 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -16.470 -7.211 -0.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -17.577 -9.334 -0.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -17.796 -8.751 1.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -19.065 -8.656 0.189 1.00 0.00 H new ATOM 1149 N ARG A 75 -15.257 -1.724 -1.255 1.00 0.00 N ATOM 1150 CA ARG A 75 -15.031 -1.012 -2.497 1.00 0.00 C ATOM 1151 C ARG A 75 -13.572 -1.092 -2.915 1.00 0.00 C ATOM 1152 O ARG A 75 -13.259 -1.346 -4.077 1.00 0.00 O ATOM 1153 CB ARG A 75 -15.428 0.454 -2.340 1.00 0.00 C ATOM 1154 CG ARG A 75 -15.466 0.920 -0.895 1.00 0.00 C ATOM 1155 CD ARG A 75 -16.521 1.993 -0.683 1.00 0.00 C ATOM 1156 NE ARG A 75 -17.178 2.366 -1.932 1.00 0.00 N ATOM 1157 CZ ARG A 75 -18.459 2.121 -2.197 1.00 0.00 C ATOM 1158 NH1 ARG A 75 -19.219 1.503 -1.302 1.00 0.00 N ATOM 1159 NH2 ARG A 75 -18.981 2.494 -3.357 1.00 0.00 N ATOM 0 H ARG A 75 -14.427 -1.829 -0.671 1.00 0.00 H new ATOM 0 HA ARG A 75 -15.643 -1.480 -3.268 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -14.724 1.074 -2.895 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -16.410 0.606 -2.789 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -15.673 0.071 -0.243 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -14.488 1.309 -0.611 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -17.267 1.634 0.026 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -16.058 2.874 -0.239 1.00 0.00 H new ATOM 0 HE ARG A 75 -16.623 2.842 -2.643 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -18.822 1.214 -0.408 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -20.200 1.317 -1.508 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -18.401 2.970 -4.048 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -19.963 2.305 -3.559 1.00 0.00 H new ATOM 1173 N TYR A 76 -12.682 -0.843 -1.967 1.00 0.00 N ATOM 1174 CA TYR A 76 -11.259 -0.847 -2.249 1.00 0.00 C ATOM 1175 C TYR A 76 -10.659 -2.234 -2.073 1.00 0.00 C ATOM 1176 O TYR A 76 -11.111 -3.014 -1.238 1.00 0.00 O ATOM 1177 CB TYR A 76 -10.562 0.171 -1.358 1.00 0.00 C ATOM 1178 CG TYR A 76 -11.380 1.423 -1.202 1.00 0.00 C ATOM 1179 CD1 TYR A 76 -12.524 1.603 -1.964 1.00 0.00 C ATOM 1180 CD2 TYR A 76 -11.025 2.411 -0.302 1.00 0.00 C ATOM 1181 CE1 TYR A 76 -13.296 2.730 -1.836 1.00 0.00 C ATOM 1182 CE2 TYR A 76 -11.794 3.553 -0.164 1.00 0.00 C ATOM 1183 CZ TYR A 76 -12.931 3.707 -0.933 1.00 0.00 C ATOM 1184 OH TYR A 76 -13.700 4.840 -0.801 1.00 0.00 O ATOM 0 H TYR A 76 -12.922 -0.636 -0.997 1.00 0.00 H new ATOM 0 HA TYR A 76 -11.109 -0.568 -3.292 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -10.378 -0.268 -0.378 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -9.590 0.422 -1.783 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -12.813 0.841 -2.672 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -10.137 2.290 0.300 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -14.184 2.852 -2.439 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -11.507 4.319 0.541 1.00 0.00 H new ATOM 0 HH TYR A 76 -13.305 5.426 -0.122 1.00 0.00 H new ATOM 1194 N TYR A 77 -9.644 -2.528 -2.880 1.00 0.00 N ATOM 1195 CA TYR A 77 -8.975 -3.832 -2.841 1.00 0.00 C ATOM 1196 C TYR A 77 -7.827 -3.901 -3.849 1.00 0.00 C ATOM 1197 O TYR A 77 -7.834 -3.198 -4.857 1.00 0.00 O ATOM 1198 CB TYR A 77 -9.978 -4.945 -3.144 1.00 0.00 C ATOM 1199 CG TYR A 77 -10.317 -5.060 -4.611 1.00 0.00 C ATOM 1200 CD1 TYR A 77 -11.145 -4.126 -5.223 1.00 0.00 C ATOM 1201 CD2 TYR A 77 -9.810 -6.097 -5.385 1.00 0.00 C ATOM 1202 CE1 TYR A 77 -11.459 -4.221 -6.564 1.00 0.00 C ATOM 1203 CE2 TYR A 77 -10.121 -6.197 -6.730 1.00 0.00 C ATOM 1204 CZ TYR A 77 -10.945 -5.257 -7.313 1.00 0.00 C ATOM 1205 OH TYR A 77 -11.255 -5.354 -8.650 1.00 0.00 O ATOM 0 H TYR A 77 -9.263 -1.882 -3.572 1.00 0.00 H new ATOM 0 HA TYR A 77 -8.565 -3.964 -1.840 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -9.572 -5.895 -2.796 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -10.893 -4.764 -2.580 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -11.550 -3.312 -4.639 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -9.165 -6.835 -4.931 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -12.104 -3.487 -7.024 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -9.720 -7.008 -7.320 1.00 0.00 H new ATOM 0 HH TYR A 77 -10.811 -6.140 -9.033 1.00 0.00 H new ATOM 1215 N VAL A 78 -6.850 -4.768 -3.581 1.00 0.00 N ATOM 1216 CA VAL A 78 -5.708 -4.933 -4.479 1.00 0.00 C ATOM 1217 C VAL A 78 -5.446 -6.401 -4.783 1.00 0.00 C ATOM 1218 O VAL A 78 -4.583 -7.022 -4.165 1.00 0.00 O ATOM 1219 CB VAL A 78 -4.415 -4.344 -3.893 1.00 0.00 C ATOM 1220 CG1 VAL A 78 -4.606 -2.890 -3.495 1.00 0.00 C ATOM 1221 CG2 VAL A 78 -3.944 -5.180 -2.714 1.00 0.00 C ATOM 0 H VAL A 78 -6.827 -5.364 -2.753 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.974 -4.397 -5.390 1.00 0.00 H new ATOM 0 HB VAL A 78 -3.644 -4.372 -4.663 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -3.675 -2.500 -3.084 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -4.888 -2.307 -4.372 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.392 -2.819 -2.744 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -3.027 -4.752 -2.308 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.714 -5.187 -1.942 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -3.753 -6.201 -3.045 1.00 0.00 H new ATOM 1231 N ALA A 79 -6.176 -6.947 -5.745 1.00 0.00 N ATOM 1232 CA ALA A 79 -5.995 -8.340 -6.129 1.00 0.00 C ATOM 1233 C ALA A 79 -7.321 -9.088 -6.162 1.00 0.00 C ATOM 1234 O ALA A 79 -7.360 -10.300 -5.952 1.00 0.00 O ATOM 1235 CB ALA A 79 -5.035 -9.036 -5.174 1.00 0.00 C ATOM 0 H ALA A 79 -6.895 -6.451 -6.271 1.00 0.00 H new ATOM 0 HA ALA A 79 -5.573 -8.350 -7.134 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -4.912 -10.076 -5.476 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -4.068 -8.533 -5.200 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -5.437 -8.998 -4.162 1.00 0.00 H new ATOM 1241 N GLU A 80 -8.411 -8.369 -6.407 1.00 0.00 N ATOM 1242 CA GLU A 80 -9.722 -9.002 -6.433 1.00 0.00 C ATOM 1243 C GLU A 80 -9.831 -9.949 -5.249 1.00 0.00 C ATOM 1244 O GLU A 80 -10.631 -10.884 -5.242 1.00 0.00 O ATOM 1245 CB GLU A 80 -9.930 -9.764 -7.743 1.00 0.00 C ATOM 1246 CG GLU A 80 -9.290 -9.091 -8.946 1.00 0.00 C ATOM 1247 CD GLU A 80 -10.012 -9.405 -10.242 1.00 0.00 C ATOM 1248 OE1 GLU A 80 -11.154 -9.905 -10.179 1.00 0.00 O ATOM 1249 OE2 GLU A 80 -9.433 -9.153 -11.321 1.00 0.00 O ATOM 0 H GLU A 80 -8.414 -7.365 -6.587 1.00 0.00 H new ATOM 0 HA GLU A 80 -10.495 -8.236 -6.367 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -9.520 -10.769 -7.638 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -10.999 -9.873 -7.924 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -9.281 -8.012 -8.792 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -8.251 -9.411 -9.026 1.00 0.00 H new ATOM 1256 N LYS A 81 -8.994 -9.688 -4.253 1.00 0.00 N ATOM 1257 CA LYS A 81 -8.937 -10.492 -3.041 1.00 0.00 C ATOM 1258 C LYS A 81 -9.934 -10.006 -2.003 1.00 0.00 C ATOM 1259 O LYS A 81 -11.012 -10.575 -1.830 1.00 0.00 O ATOM 1260 CB LYS A 81 -7.544 -10.401 -2.430 1.00 0.00 C ATOM 1261 CG LYS A 81 -6.422 -10.885 -3.327 1.00 0.00 C ATOM 1262 CD LYS A 81 -5.070 -10.564 -2.712 1.00 0.00 C ATOM 1263 CE LYS A 81 -4.537 -11.729 -1.892 1.00 0.00 C ATOM 1264 NZ LYS A 81 -5.624 -12.644 -1.440 1.00 0.00 N ATOM 0 H LYS A 81 -8.334 -8.910 -4.264 1.00 0.00 H new ATOM 0 HA LYS A 81 -9.178 -11.518 -3.318 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -7.350 -9.364 -2.157 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -7.529 -10.982 -1.508 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -6.511 -11.960 -3.482 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -6.503 -10.414 -4.307 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -4.360 -10.319 -3.501 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -5.158 -9.682 -2.078 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -3.816 -12.290 -2.487 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -4.003 -11.345 -1.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -5.246 -13.311 -0.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -6.391 -12.087 -1.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -5.994 -13.173 -2.255 1.00 0.00 H new ATOM 1278 N TYR A 82 -9.537 -8.952 -1.301 1.00 0.00 N ATOM 1279 CA TYR A 82 -10.349 -8.365 -0.253 1.00 0.00 C ATOM 1280 C TYR A 82 -10.638 -6.906 -0.552 1.00 0.00 C ATOM 1281 O TYR A 82 -9.723 -6.122 -0.801 1.00 0.00 O ATOM 1282 CB TYR A 82 -9.626 -8.458 1.093 1.00 0.00 C ATOM 1283 CG TYR A 82 -8.692 -9.639 1.223 1.00 0.00 C ATOM 1284 CD1 TYR A 82 -7.676 -9.853 0.305 1.00 0.00 C ATOM 1285 CD2 TYR A 82 -8.820 -10.531 2.279 1.00 0.00 C ATOM 1286 CE1 TYR A 82 -6.812 -10.919 0.431 1.00 0.00 C ATOM 1287 CE2 TYR A 82 -7.962 -11.603 2.412 1.00 0.00 C ATOM 1288 CZ TYR A 82 -6.957 -11.794 1.486 1.00 0.00 C ATOM 1289 OH TYR A 82 -6.098 -12.861 1.617 1.00 0.00 O ATOM 0 H TYR A 82 -8.643 -8.483 -1.445 1.00 0.00 H new ATOM 0 HA TYR A 82 -11.287 -8.918 -0.208 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -9.057 -7.542 1.249 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -10.370 -8.510 1.888 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -7.559 -9.171 -0.525 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -9.603 -10.383 3.008 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -6.025 -11.068 -0.293 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -8.076 -12.290 3.237 1.00 0.00 H new ATOM 0 HH TYR A 82 -6.338 -13.378 2.414 1.00 0.00 H new ATOM 1299 N VAL A 83 -11.906 -6.537 -0.508 1.00 0.00 N ATOM 1300 CA VAL A 83 -12.290 -5.163 -0.754 1.00 0.00 C ATOM 1301 C VAL A 83 -12.736 -4.504 0.534 1.00 0.00 C ATOM 1302 O VAL A 83 -13.210 -5.173 1.452 1.00 0.00 O ATOM 1303 CB VAL A 83 -13.407 -5.054 -1.800 1.00 0.00 C ATOM 1304 CG1 VAL A 83 -12.883 -5.453 -3.169 1.00 0.00 C ATOM 1305 CG2 VAL A 83 -14.597 -5.905 -1.393 1.00 0.00 C ATOM 0 H VAL A 83 -12.682 -7.167 -0.305 1.00 0.00 H new ATOM 0 HA VAL A 83 -11.412 -4.650 -1.147 1.00 0.00 H new ATOM 0 HB VAL A 83 -13.742 -4.018 -1.856 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -13.685 -5.372 -3.903 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -12.064 -4.792 -3.452 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -12.524 -6.482 -3.136 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -15.381 -5.817 -2.145 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -14.288 -6.947 -1.311 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -14.977 -5.562 -0.431 1.00 0.00 H new ATOM 1315 N PHE A 84 -12.572 -3.195 0.610 1.00 0.00 N ATOM 1316 CA PHE A 84 -12.951 -2.470 1.806 1.00 0.00 C ATOM 1317 C PHE A 84 -13.433 -1.066 1.468 1.00 0.00 C ATOM 1318 O PHE A 84 -13.569 -0.710 0.297 1.00 0.00 O ATOM 1319 CB PHE A 84 -11.767 -2.416 2.774 1.00 0.00 C ATOM 1320 CG PHE A 84 -11.001 -3.712 2.845 1.00 0.00 C ATOM 1321 CD1 PHE A 84 -9.968 -3.974 1.958 1.00 0.00 C ATOM 1322 CD2 PHE A 84 -11.319 -4.667 3.797 1.00 0.00 C ATOM 1323 CE1 PHE A 84 -9.266 -5.169 2.018 1.00 0.00 C ATOM 1324 CE2 PHE A 84 -10.622 -5.862 3.863 1.00 0.00 C ATOM 1325 CZ PHE A 84 -9.596 -6.113 2.972 1.00 0.00 C ATOM 0 H PHE A 84 -12.182 -2.618 -0.136 1.00 0.00 H new ATOM 0 HA PHE A 84 -13.778 -2.996 2.283 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -11.091 -1.618 2.467 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -12.131 -2.161 3.769 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -9.707 -3.239 1.211 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -12.120 -4.477 4.496 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -8.464 -5.361 1.321 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -10.880 -6.597 4.611 1.00 0.00 H new ATOM 0 HZ PHE A 84 -9.053 -7.045 3.021 1.00 0.00 H new ATOM 1335 N ASP A 85 -13.697 -0.275 2.499 1.00 0.00 N ATOM 1336 CA ASP A 85 -14.172 1.086 2.310 1.00 0.00 C ATOM 1337 C ASP A 85 -13.081 2.096 2.643 1.00 0.00 C ATOM 1338 O ASP A 85 -13.354 3.284 2.808 1.00 0.00 O ATOM 1339 CB ASP A 85 -15.404 1.344 3.180 1.00 0.00 C ATOM 1340 CG ASP A 85 -15.071 2.116 4.442 1.00 0.00 C ATOM 1341 OD1 ASP A 85 -14.697 1.476 5.448 1.00 0.00 O ATOM 1342 OD2 ASP A 85 -15.181 3.359 4.425 1.00 0.00 O ATOM 0 H ASP A 85 -13.590 -0.554 3.474 1.00 0.00 H new ATOM 0 HA ASP A 85 -14.444 1.206 1.261 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -16.143 1.899 2.602 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -15.860 0.392 3.450 1.00 0.00 H new ATOM 1347 N SER A 86 -11.845 1.618 2.742 1.00 0.00 N ATOM 1348 CA SER A 86 -10.725 2.493 3.056 1.00 0.00 C ATOM 1349 C SER A 86 -9.395 1.745 3.020 1.00 0.00 C ATOM 1350 O SER A 86 -9.290 0.578 3.441 1.00 0.00 O ATOM 1351 CB SER A 86 -10.924 3.133 4.432 1.00 0.00 C ATOM 1352 OG SER A 86 -10.195 2.441 5.431 1.00 0.00 O ATOM 0 H SER A 86 -11.596 0.638 2.610 1.00 0.00 H new ATOM 0 HA SER A 86 -10.692 3.271 2.293 1.00 0.00 H new ATOM 0 HB2 SER A 86 -10.604 4.175 4.401 1.00 0.00 H new ATOM 0 HB3 SER A 86 -11.984 3.133 4.686 1.00 0.00 H new ATOM 0 HG SER A 86 -10.377 2.843 6.306 1.00 0.00 H new ATOM 1358 N ILE A 87 -8.371 2.431 2.527 1.00 0.00 N ATOM 1359 CA ILE A 87 -7.047 1.851 2.447 1.00 0.00 C ATOM 1360 C ILE A 87 -6.628 1.328 3.813 1.00 0.00 C ATOM 1361 O ILE A 87 -6.059 0.250 3.924 1.00 0.00 O ATOM 1362 CB ILE A 87 -5.994 2.871 1.979 1.00 0.00 C ATOM 1363 CG1 ILE A 87 -6.109 3.160 0.483 1.00 0.00 C ATOM 1364 CG2 ILE A 87 -4.602 2.357 2.300 1.00 0.00 C ATOM 1365 CD1 ILE A 87 -7.357 2.615 -0.168 1.00 0.00 C ATOM 0 H ILE A 87 -8.437 3.387 2.179 1.00 0.00 H new ATOM 0 HA ILE A 87 -7.098 1.042 1.718 1.00 0.00 H new ATOM 0 HB ILE A 87 -6.175 3.805 2.512 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -6.077 4.239 0.331 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -5.239 2.741 -0.023 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -3.860 3.083 1.967 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -4.508 2.210 3.376 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -4.437 1.409 1.788 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -7.354 2.867 -1.228 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -7.384 1.531 -0.053 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -8.236 3.052 0.306 1.00 0.00 H new ATOM 1377 N PRO A 88 -6.913 2.092 4.881 1.00 0.00 N ATOM 1378 CA PRO A 88 -6.557 1.691 6.241 1.00 0.00 C ATOM 1379 C PRO A 88 -7.068 0.298 6.565 1.00 0.00 C ATOM 1380 O PRO A 88 -6.310 -0.552 7.030 1.00 0.00 O ATOM 1381 CB PRO A 88 -7.229 2.737 7.124 1.00 0.00 C ATOM 1382 CG PRO A 88 -7.426 3.924 6.239 1.00 0.00 C ATOM 1383 CD PRO A 88 -7.600 3.391 4.842 1.00 0.00 C ATOM 0 HA PRO A 88 -5.478 1.646 6.387 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -8.180 2.373 7.513 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -6.607 2.985 7.984 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -8.300 4.497 6.547 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -6.569 4.596 6.294 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -8.653 3.280 4.583 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -7.158 4.057 4.101 1.00 0.00 H new ATOM 1391 N LEU A 89 -8.340 0.043 6.271 1.00 0.00 N ATOM 1392 CA LEU A 89 -8.887 -1.285 6.497 1.00 0.00 C ATOM 1393 C LEU A 89 -8.280 -2.198 5.455 1.00 0.00 C ATOM 1394 O LEU A 89 -7.742 -3.268 5.772 1.00 0.00 O ATOM 1395 CB LEU A 89 -10.419 -1.322 6.402 1.00 0.00 C ATOM 1396 CG LEU A 89 -11.126 0.029 6.307 1.00 0.00 C ATOM 1397 CD1 LEU A 89 -11.548 0.297 4.872 1.00 0.00 C ATOM 1398 CD2 LEU A 89 -12.334 0.059 7.231 1.00 0.00 C ATOM 0 H LEU A 89 -8.996 0.722 5.885 1.00 0.00 H new ATOM 0 HA LEU A 89 -8.641 -1.604 7.510 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -10.693 -1.913 5.528 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -10.803 -1.848 7.276 1.00 0.00 H new ATOM 0 HG LEU A 89 -10.434 0.811 6.619 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -12.051 1.262 4.815 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -10.667 0.308 4.230 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -12.229 -0.487 4.540 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -12.828 1.028 7.153 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -13.031 -0.728 6.944 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -12.010 -0.101 8.259 1.00 0.00 H new ATOM 1410 N LEU A 90 -8.322 -1.740 4.204 1.00 0.00 N ATOM 1411 CA LEU A 90 -7.731 -2.496 3.119 1.00 0.00 C ATOM 1412 C LEU A 90 -6.281 -2.798 3.468 1.00 0.00 C ATOM 1413 O LEU A 90 -5.757 -3.867 3.153 1.00 0.00 O ATOM 1414 CB LEU A 90 -7.823 -1.716 1.807 1.00 0.00 C ATOM 1415 CG LEU A 90 -7.484 -2.522 0.553 1.00 0.00 C ATOM 1416 CD1 LEU A 90 -8.494 -2.246 -0.549 1.00 0.00 C ATOM 1417 CD2 LEU A 90 -6.074 -2.203 0.080 1.00 0.00 C ATOM 0 H LEU A 90 -8.755 -0.859 3.927 1.00 0.00 H new ATOM 0 HA LEU A 90 -8.275 -3.431 2.984 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -8.834 -1.322 1.706 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -7.152 -0.859 1.863 1.00 0.00 H new ATOM 0 HG LEU A 90 -7.531 -3.582 0.802 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -8.236 -2.829 -1.433 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -9.491 -2.526 -0.208 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -8.481 -1.185 -0.797 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -5.849 -2.786 -0.813 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -6.000 -1.140 -0.151 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -5.361 -2.454 0.865 1.00 0.00 H new ATOM 1429 N ILE A 91 -5.649 -1.851 4.158 1.00 0.00 N ATOM 1430 CA ILE A 91 -4.274 -2.013 4.598 1.00 0.00 C ATOM 1431 C ILE A 91 -4.247 -2.880 5.842 1.00 0.00 C ATOM 1432 O ILE A 91 -3.513 -3.866 5.915 1.00 0.00 O ATOM 1433 CB ILE A 91 -3.588 -0.666 4.911 1.00 0.00 C ATOM 1434 CG1 ILE A 91 -3.651 0.258 3.701 1.00 0.00 C ATOM 1435 CG2 ILE A 91 -2.137 -0.890 5.322 1.00 0.00 C ATOM 1436 CD1 ILE A 91 -2.940 -0.297 2.495 1.00 0.00 C ATOM 0 H ILE A 91 -6.073 -0.962 4.423 1.00 0.00 H new ATOM 0 HA ILE A 91 -3.725 -2.481 3.781 1.00 0.00 H new ATOM 0 HB ILE A 91 -4.118 -0.196 5.739 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -4.695 0.443 3.447 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -3.212 1.220 3.963 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -1.668 0.070 5.539 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -2.104 -1.520 6.211 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -1.600 -1.381 4.510 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -3.022 0.408 1.668 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -1.888 -0.456 2.734 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -3.395 -1.246 2.209 1.00 0.00 H new ATOM 1448 N GLN A 92 -5.077 -2.512 6.812 1.00 0.00 N ATOM 1449 CA GLN A 92 -5.174 -3.263 8.049 1.00 0.00 C ATOM 1450 C GLN A 92 -5.405 -4.728 7.726 1.00 0.00 C ATOM 1451 O GLN A 92 -4.938 -5.615 8.441 1.00 0.00 O ATOM 1452 CB GLN A 92 -6.314 -2.726 8.917 1.00 0.00 C ATOM 1453 CG GLN A 92 -5.926 -1.515 9.749 1.00 0.00 C ATOM 1454 CD GLN A 92 -4.434 -1.244 9.724 1.00 0.00 C ATOM 1455 OE1 GLN A 92 -3.925 -0.843 8.565 1.00 0.00 O flip ATOM 1456 NE2 GLN A 92 -3.748 -1.393 10.734 1.00 0.00 N flip ATOM 0 H GLN A 92 -5.690 -1.698 6.762 1.00 0.00 H new ATOM 0 HA GLN A 92 -4.244 -3.155 8.607 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -7.155 -2.461 8.275 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -6.658 -3.518 9.582 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -6.457 -0.638 9.378 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -6.246 -1.669 10.779 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -4.181 -1.703 11.604 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -2.746 -1.206 10.702 1.00 0.00 H new ATOM 1465 N TYR A 93 -6.114 -4.978 6.627 1.00 0.00 N ATOM 1466 CA TYR A 93 -6.382 -6.339 6.202 1.00 0.00 C ATOM 1467 C TYR A 93 -5.111 -6.980 5.656 1.00 0.00 C ATOM 1468 O TYR A 93 -4.837 -8.147 5.926 1.00 0.00 O ATOM 1469 CB TYR A 93 -7.490 -6.365 5.150 1.00 0.00 C ATOM 1470 CG TYR A 93 -7.054 -6.926 3.817 1.00 0.00 C ATOM 1471 CD1 TYR A 93 -6.742 -8.272 3.673 1.00 0.00 C ATOM 1472 CD2 TYR A 93 -6.960 -6.110 2.701 1.00 0.00 C ATOM 1473 CE1 TYR A 93 -6.348 -8.786 2.452 1.00 0.00 C ATOM 1474 CE2 TYR A 93 -6.567 -6.616 1.479 1.00 0.00 C ATOM 1475 CZ TYR A 93 -6.262 -7.953 1.359 1.00 0.00 C ATOM 1476 OH TYR A 93 -5.874 -8.464 0.143 1.00 0.00 O ATOM 0 H TYR A 93 -6.508 -4.258 6.022 1.00 0.00 H new ATOM 0 HA TYR A 93 -6.718 -6.913 7.066 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -8.323 -6.958 5.528 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -7.862 -5.351 5.003 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -6.808 -8.927 4.529 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -7.198 -5.060 2.789 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -6.109 -9.835 2.356 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -6.499 -5.965 0.620 1.00 0.00 H new ATOM 0 HH TYR A 93 -5.931 -9.442 0.166 1.00 0.00 H new ATOM 1486 N HIS A 94 -4.327 -6.210 4.897 1.00 0.00 N ATOM 1487 CA HIS A 94 -3.086 -6.727 4.337 1.00 0.00 C ATOM 1488 C HIS A 94 -1.968 -6.702 5.370 1.00 0.00 C ATOM 1489 O HIS A 94 -1.000 -7.454 5.266 1.00 0.00 O ATOM 1490 CB HIS A 94 -2.681 -5.929 3.105 1.00 0.00 C ATOM 1491 CG HIS A 94 -2.987 -6.628 1.825 1.00 0.00 C ATOM 1492 ND1 HIS A 94 -4.083 -6.325 1.052 1.00 0.00 N ATOM 1493 CD2 HIS A 94 -2.345 -7.634 1.190 1.00 0.00 C ATOM 1494 CE1 HIS A 94 -4.107 -7.118 0.000 1.00 0.00 C ATOM 1495 NE2 HIS A 94 -3.063 -7.921 0.057 1.00 0.00 N ATOM 0 H HIS A 94 -4.530 -5.239 4.661 1.00 0.00 H new ATOM 0 HA HIS A 94 -3.257 -7.763 4.043 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -3.194 -4.968 3.118 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -1.612 -5.720 3.151 1.00 0.00 H new ATOM 0 HD1 HIS A 94 -4.770 -5.600 1.260 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -1.437 -8.121 1.514 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -4.856 -7.111 -0.778 1.00 0.00 H new ATOM 1504 N GLN A 95 -2.109 -5.843 6.372 1.00 0.00 N ATOM 1505 CA GLN A 95 -1.105 -5.744 7.421 1.00 0.00 C ATOM 1506 C GLN A 95 -1.175 -6.966 8.331 1.00 0.00 C ATOM 1507 O GLN A 95 -0.371 -7.119 9.250 1.00 0.00 O ATOM 1508 CB GLN A 95 -1.312 -4.474 8.251 1.00 0.00 C ATOM 1509 CG GLN A 95 -1.756 -3.271 7.437 1.00 0.00 C ATOM 1510 CD GLN A 95 -1.098 -1.983 7.895 1.00 0.00 C ATOM 1511 OE1 GLN A 95 -1.433 -1.443 8.949 1.00 0.00 O ATOM 1512 NE2 GLN A 95 -0.157 -1.483 7.103 1.00 0.00 N ATOM 0 H GLN A 95 -2.902 -5.210 6.479 1.00 0.00 H new ATOM 0 HA GLN A 95 -0.123 -5.699 6.950 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -2.056 -4.673 9.022 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -0.381 -4.230 8.762 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -1.521 -3.441 6.386 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -2.839 -3.167 7.509 1.00 0.00 H new ATOM 0 HE21 GLN A 95 0.090 -1.964 6.238 1.00 0.00 H new ATOM 0 HE22 GLN A 95 0.319 -0.618 7.360 1.00 0.00 H new ATOM 1521 N TYR A 96 -2.156 -7.829 8.072 1.00 0.00 N ATOM 1522 CA TYR A 96 -2.351 -9.032 8.869 1.00 0.00 C ATOM 1523 C TYR A 96 -2.270 -10.294 8.015 1.00 0.00 C ATOM 1524 O TYR A 96 -1.205 -10.893 7.870 1.00 0.00 O ATOM 1525 CB TYR A 96 -3.707 -8.972 9.571 1.00 0.00 C ATOM 1526 CG TYR A 96 -3.748 -7.998 10.723 1.00 0.00 C ATOM 1527 CD1 TYR A 96 -3.484 -6.650 10.522 1.00 0.00 C ATOM 1528 CD2 TYR A 96 -4.052 -8.423 12.010 1.00 0.00 C ATOM 1529 CE1 TYR A 96 -3.519 -5.752 11.569 1.00 0.00 C ATOM 1530 CE2 TYR A 96 -4.090 -7.531 13.064 1.00 0.00 C ATOM 1531 CZ TYR A 96 -3.823 -6.197 12.839 1.00 0.00 C ATOM 1532 OH TYR A 96 -3.859 -5.304 13.886 1.00 0.00 O ATOM 0 H TYR A 96 -2.828 -7.714 7.314 1.00 0.00 H new ATOM 0 HA TYR A 96 -1.551 -9.076 9.608 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -4.471 -8.695 8.845 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -3.961 -9.966 9.938 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -3.247 -6.298 9.529 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -4.262 -9.467 12.189 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -3.310 -4.707 11.395 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -4.328 -7.877 14.059 1.00 0.00 H new ATOM 0 HH TYR A 96 -4.089 -5.778 14.712 1.00 0.00 H new ATOM 1542 N ASN A 97 -3.411 -10.698 7.465 1.00 0.00 N ATOM 1543 CA ASN A 97 -3.485 -11.897 6.636 1.00 0.00 C ATOM 1544 C ASN A 97 -2.389 -11.910 5.574 1.00 0.00 C ATOM 1545 O ASN A 97 -1.390 -11.200 5.689 1.00 0.00 O ATOM 1546 CB ASN A 97 -4.860 -12.003 5.975 1.00 0.00 C ATOM 1547 CG ASN A 97 -5.376 -10.661 5.505 1.00 0.00 C ATOM 1548 OD1 ASN A 97 -6.502 -10.272 5.815 1.00 0.00 O ATOM 1549 ND2 ASN A 97 -4.552 -9.944 4.752 1.00 0.00 N ATOM 0 H ASN A 97 -4.300 -10.211 7.579 1.00 0.00 H new ATOM 0 HA ASN A 97 -3.334 -12.759 7.285 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -4.801 -12.685 5.126 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -5.568 -12.435 6.682 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -4.843 -9.030 4.405 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -3.627 -10.307 4.520 1.00 0.00 H new ATOM 1556 N GLY A 98 -2.578 -12.734 4.547 1.00 0.00 N ATOM 1557 CA GLY A 98 -1.594 -12.840 3.486 1.00 0.00 C ATOM 1558 C GLY A 98 -1.760 -11.791 2.403 1.00 0.00 C ATOM 1559 O GLY A 98 -0.773 -11.301 1.855 1.00 0.00 O ATOM 0 H GLY A 98 -3.397 -13.331 4.431 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -0.596 -12.753 3.916 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -1.662 -13.830 3.036 1.00 0.00 H new ATOM 1563 N GLY A 99 -3.005 -11.446 2.083 1.00 0.00 N ATOM 1564 CA GLY A 99 -3.245 -10.456 1.047 1.00 0.00 C ATOM 1565 C GLY A 99 -2.102 -10.389 0.054 1.00 0.00 C ATOM 1566 O GLY A 99 -1.362 -9.407 0.015 1.00 0.00 O ATOM 0 H GLY A 99 -3.844 -11.830 2.518 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -4.169 -10.697 0.521 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -3.385 -9.477 1.506 1.00 0.00 H new ATOM 1570 N GLY A 100 -1.951 -11.439 -0.747 1.00 0.00 N ATOM 1571 CA GLY A 100 -0.883 -11.475 -1.729 1.00 0.00 C ATOM 1572 C GLY A 100 0.194 -10.445 -1.451 1.00 0.00 C ATOM 1573 O GLY A 100 0.921 -10.548 -0.463 1.00 0.00 O ATOM 0 H GLY A 100 -2.549 -12.265 -0.734 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -0.437 -12.469 -1.740 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -1.300 -11.302 -2.721 1.00 0.00 H new ATOM 1577 N LEU A 101 0.293 -9.447 -2.323 1.00 0.00 N ATOM 1578 CA LEU A 101 1.285 -8.390 -2.168 1.00 0.00 C ATOM 1579 C LEU A 101 2.657 -8.970 -1.834 1.00 0.00 C ATOM 1580 O LEU A 101 2.780 -10.150 -1.505 1.00 0.00 O ATOM 1581 CB LEU A 101 0.846 -7.411 -1.077 1.00 0.00 C ATOM 1582 CG LEU A 101 -0.413 -6.600 -1.399 1.00 0.00 C ATOM 1583 CD1 LEU A 101 -1.481 -7.488 -2.019 1.00 0.00 C ATOM 1584 CD2 LEU A 101 -0.943 -5.921 -0.146 1.00 0.00 C ATOM 0 H LEU A 101 -0.303 -9.348 -3.145 1.00 0.00 H new ATOM 0 HA LEU A 101 1.364 -7.856 -3.115 1.00 0.00 H new ATOM 0 HB2 LEU A 101 0.674 -7.970 -0.157 1.00 0.00 H new ATOM 0 HB3 LEU A 101 1.665 -6.719 -0.881 1.00 0.00 H new ATOM 0 HG LEU A 101 -0.149 -5.830 -2.123 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -2.367 -6.892 -2.240 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -1.099 -7.926 -2.941 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -1.744 -8.283 -1.321 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -1.838 -5.349 -0.393 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -1.189 -6.676 0.600 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -0.182 -5.250 0.254 1.00 0.00 H new ATOM 1596 N VAL A 102 3.689 -8.135 -1.930 1.00 0.00 N ATOM 1597 CA VAL A 102 5.053 -8.568 -1.645 1.00 0.00 C ATOM 1598 C VAL A 102 5.142 -9.270 -0.294 1.00 0.00 C ATOM 1599 O VAL A 102 5.962 -10.169 -0.106 1.00 0.00 O ATOM 1600 CB VAL A 102 6.038 -7.383 -1.662 1.00 0.00 C ATOM 1601 CG1 VAL A 102 5.799 -6.508 -2.883 1.00 0.00 C ATOM 1602 CG2 VAL A 102 5.922 -6.568 -0.382 1.00 0.00 C ATOM 0 H VAL A 102 3.606 -7.156 -2.203 1.00 0.00 H new ATOM 0 HA VAL A 102 5.328 -9.270 -2.433 1.00 0.00 H new ATOM 0 HB VAL A 102 7.051 -7.780 -1.719 1.00 0.00 H new ATOM 0 HG11 VAL A 102 6.504 -5.676 -2.878 1.00 0.00 H new ATOM 0 HG12 VAL A 102 5.941 -7.099 -3.788 1.00 0.00 H new ATOM 0 HG13 VAL A 102 4.780 -6.121 -2.859 1.00 0.00 H new ATOM 0 HG21 VAL A 102 6.626 -5.737 -0.415 1.00 0.00 H new ATOM 0 HG22 VAL A 102 4.907 -6.181 -0.288 1.00 0.00 H new ATOM 0 HG23 VAL A 102 6.149 -7.202 0.475 1.00 0.00 H new ATOM 1612 N THR A 103 4.294 -8.860 0.643 1.00 0.00 N ATOM 1613 CA THR A 103 4.285 -9.457 1.974 1.00 0.00 C ATOM 1614 C THR A 103 3.159 -8.882 2.826 1.00 0.00 C ATOM 1615 O THR A 103 3.376 -8.487 3.971 1.00 0.00 O ATOM 1616 CB THR A 103 5.630 -9.234 2.667 1.00 0.00 C ATOM 1617 OG1 THR A 103 5.527 -9.490 4.056 1.00 0.00 O ATOM 1618 CG2 THR A 103 6.166 -7.830 2.497 1.00 0.00 C ATOM 0 H THR A 103 3.606 -8.119 0.507 1.00 0.00 H new ATOM 0 HA THR A 103 4.116 -10.528 1.860 1.00 0.00 H new ATOM 0 HB THR A 103 6.320 -9.929 2.188 1.00 0.00 H new ATOM 0 HG1 THR A 103 4.591 -9.407 4.335 1.00 0.00 H new ATOM 0 HG21 THR A 103 7.122 -7.741 3.013 1.00 0.00 H new ATOM 0 HG22 THR A 103 6.305 -7.619 1.437 1.00 0.00 H new ATOM 0 HG23 THR A 103 5.458 -7.117 2.919 1.00 0.00 H new ATOM 1626 N ARG A 104 1.955 -8.844 2.263 1.00 0.00 N ATOM 1627 CA ARG A 104 0.794 -8.322 2.976 1.00 0.00 C ATOM 1628 C ARG A 104 1.214 -7.296 4.024 1.00 0.00 C ATOM 1629 O ARG A 104 1.739 -7.653 5.078 1.00 0.00 O ATOM 1630 CB ARG A 104 0.033 -9.467 3.647 1.00 0.00 C ATOM 1631 CG ARG A 104 0.886 -10.703 3.883 1.00 0.00 C ATOM 1632 CD ARG A 104 0.978 -11.042 5.361 1.00 0.00 C ATOM 1633 NE ARG A 104 2.348 -10.958 5.857 1.00 0.00 N ATOM 1634 CZ ARG A 104 2.671 -10.465 7.048 1.00 0.00 C ATOM 1635 NH1 ARG A 104 1.724 -10.015 7.862 1.00 0.00 N ATOM 1636 NH2 ARG A 104 3.941 -10.421 7.429 1.00 0.00 N ATOM 0 H ARG A 104 1.758 -9.168 1.316 1.00 0.00 H new ATOM 0 HA ARG A 104 0.143 -7.830 2.253 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -0.363 -9.120 4.602 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -0.822 -9.738 3.027 1.00 0.00 H new ATOM 0 HG2 ARG A 104 0.462 -11.548 3.341 1.00 0.00 H new ATOM 0 HG3 ARG A 104 1.887 -10.538 3.484 1.00 0.00 H new ATOM 0 HD2 ARG A 104 0.344 -10.361 5.929 1.00 0.00 H new ATOM 0 HD3 ARG A 104 0.593 -12.048 5.527 1.00 0.00 H new ATOM 0 HE ARG A 104 3.099 -11.297 5.256 1.00 0.00 H new ATOM 0 HH11 ARG A 104 0.746 -10.047 7.574 1.00 0.00 H new ATOM 0 HH12 ARG A 104 1.974 -9.637 8.776 1.00 0.00 H new ATOM 0 HH21 ARG A 104 4.672 -10.766 6.807 1.00 0.00 H new ATOM 0 HH22 ARG A 104 4.186 -10.042 8.344 1.00 0.00 H new ATOM 1650 N LEU A 105 0.982 -6.020 3.726 1.00 0.00 N ATOM 1651 CA LEU A 105 1.343 -4.945 4.643 1.00 0.00 C ATOM 1652 C LEU A 105 2.166 -5.467 5.811 1.00 0.00 C ATOM 1653 O LEU A 105 1.765 -5.356 6.970 1.00 0.00 O ATOM 1654 CB LEU A 105 0.094 -4.223 5.152 1.00 0.00 C ATOM 1655 CG LEU A 105 -0.469 -3.188 4.192 1.00 0.00 C ATOM 1656 CD1 LEU A 105 0.501 -2.961 3.063 1.00 0.00 C ATOM 1657 CD2 LEU A 105 -1.807 -3.614 3.634 1.00 0.00 C ATOM 0 H LEU A 105 0.547 -5.707 2.858 1.00 0.00 H new ATOM 0 HA LEU A 105 1.955 -4.233 4.090 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -0.678 -4.963 5.362 1.00 0.00 H new ATOM 0 HB3 LEU A 105 0.332 -3.733 6.096 1.00 0.00 H new ATOM 0 HG LEU A 105 -0.616 -2.262 4.748 1.00 0.00 H new ATOM 0 HD11 LEU A 105 0.094 -2.218 2.377 1.00 0.00 H new ATOM 0 HD12 LEU A 105 1.449 -2.603 3.464 1.00 0.00 H new ATOM 0 HD13 LEU A 105 0.664 -3.897 2.529 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -2.177 -2.848 2.952 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -1.694 -4.555 3.096 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -2.517 -3.746 4.451 1.00 0.00 H new ATOM 1669 N ARG A 106 3.325 -6.031 5.495 1.00 0.00 N ATOM 1670 CA ARG A 106 4.215 -6.566 6.513 1.00 0.00 C ATOM 1671 C ARG A 106 4.640 -5.471 7.482 1.00 0.00 C ATOM 1672 O ARG A 106 4.753 -5.703 8.685 1.00 0.00 O ATOM 1673 CB ARG A 106 5.449 -7.186 5.862 1.00 0.00 C ATOM 1674 CG ARG A 106 6.058 -8.322 6.670 1.00 0.00 C ATOM 1675 CD ARG A 106 7.415 -7.941 7.235 1.00 0.00 C ATOM 1676 NE ARG A 106 7.663 -8.563 8.533 1.00 0.00 N ATOM 1677 CZ ARG A 106 7.031 -8.214 9.649 1.00 0.00 C ATOM 1678 NH1 ARG A 106 6.118 -7.254 9.624 1.00 0.00 N ATOM 1679 NH2 ARG A 106 7.312 -8.826 10.791 1.00 0.00 N ATOM 0 H ARG A 106 3.669 -6.129 4.540 1.00 0.00 H new ATOM 0 HA ARG A 106 3.678 -7.336 7.067 1.00 0.00 H new ATOM 0 HB2 ARG A 106 5.180 -7.558 4.873 1.00 0.00 H new ATOM 0 HB3 ARG A 106 6.201 -6.411 5.717 1.00 0.00 H new ATOM 0 HG2 ARG A 106 5.386 -8.590 7.485 1.00 0.00 H new ATOM 0 HG3 ARG A 106 6.161 -9.204 6.038 1.00 0.00 H new ATOM 0 HD2 ARG A 106 8.196 -8.240 6.535 1.00 0.00 H new ATOM 0 HD3 ARG A 106 7.474 -6.857 7.335 1.00 0.00 H new ATOM 0 HE ARG A 106 8.360 -9.306 8.586 1.00 0.00 H new ATOM 0 HH11 ARG A 106 5.899 -6.781 8.747 1.00 0.00 H new ATOM 0 HH12 ARG A 106 5.634 -6.988 10.482 1.00 0.00 H new ATOM 0 HH21 ARG A 106 8.014 -9.566 10.814 1.00 0.00 H new ATOM 0 HH22 ARG A 106 6.826 -8.557 11.647 1.00 0.00 H new ATOM 1693 N TYR A 107 4.876 -4.274 6.950 1.00 0.00 N ATOM 1694 CA TYR A 107 5.292 -3.149 7.777 1.00 0.00 C ATOM 1695 C TYR A 107 5.170 -1.818 7.049 1.00 0.00 C ATOM 1696 O TYR A 107 6.076 -1.423 6.313 1.00 0.00 O ATOM 1697 CB TYR A 107 6.736 -3.317 8.231 1.00 0.00 C ATOM 1698 CG TYR A 107 7.195 -2.159 9.078 1.00 0.00 C ATOM 1699 CD1 TYR A 107 7.021 -2.181 10.452 1.00 0.00 C ATOM 1700 CD2 TYR A 107 7.770 -1.034 8.504 1.00 0.00 C ATOM 1701 CE1 TYR A 107 7.410 -1.117 11.235 1.00 0.00 C ATOM 1702 CE2 TYR A 107 8.167 0.034 9.280 1.00 0.00 C ATOM 1703 CZ TYR A 107 7.984 -0.010 10.646 1.00 0.00 C ATOM 1704 OH TYR A 107 8.374 1.055 11.424 1.00 0.00 O ATOM 0 H TYR A 107 4.787 -4.061 5.957 1.00 0.00 H new ATOM 0 HA TYR A 107 4.622 -3.140 8.637 1.00 0.00 H new ATOM 0 HB2 TYR A 107 6.833 -4.243 8.798 1.00 0.00 H new ATOM 0 HB3 TYR A 107 7.383 -3.408 7.359 1.00 0.00 H new ATOM 0 HD1 TYR A 107 6.573 -3.047 10.917 1.00 0.00 H new ATOM 0 HD2 TYR A 107 7.909 -0.995 7.434 1.00 0.00 H new ATOM 0 HE1 TYR A 107 7.266 -1.149 12.305 1.00 0.00 H new ATOM 0 HE2 TYR A 107 8.619 0.901 8.820 1.00 0.00 H new ATOM 0 HH TYR A 107 8.001 1.883 11.056 1.00 0.00 H new ATOM 1714 N PRO A 108 4.071 -1.084 7.266 1.00 0.00 N ATOM 1715 CA PRO A 108 3.884 0.225 6.651 1.00 0.00 C ATOM 1716 C PRO A 108 5.084 1.121 6.946 1.00 0.00 C ATOM 1717 O PRO A 108 5.696 1.010 8.008 1.00 0.00 O ATOM 1718 CB PRO A 108 2.614 0.770 7.323 1.00 0.00 C ATOM 1719 CG PRO A 108 2.396 -0.099 8.516 1.00 0.00 C ATOM 1720 CD PRO A 108 2.950 -1.440 8.145 1.00 0.00 C ATOM 0 HA PRO A 108 3.793 0.180 5.566 1.00 0.00 H new ATOM 0 HB2 PRO A 108 2.740 1.813 7.614 1.00 0.00 H new ATOM 0 HB3 PRO A 108 1.761 0.728 6.645 1.00 0.00 H new ATOM 0 HG2 PRO A 108 2.902 0.305 9.393 1.00 0.00 H new ATOM 0 HG3 PRO A 108 1.336 -0.167 8.763 1.00 0.00 H new ATOM 0 HD2 PRO A 108 3.281 -1.999 9.020 1.00 0.00 H new ATOM 0 HD3 PRO A 108 2.212 -2.057 7.633 1.00 0.00 H new ATOM 1728 N VAL A 109 5.434 1.991 6.008 1.00 0.00 N ATOM 1729 CA VAL A 109 6.573 2.873 6.190 1.00 0.00 C ATOM 1730 C VAL A 109 6.294 4.253 5.616 1.00 0.00 C ATOM 1731 O VAL A 109 5.512 4.398 4.676 1.00 0.00 O ATOM 1732 CB VAL A 109 7.835 2.288 5.528 1.00 0.00 C ATOM 1733 CG1 VAL A 109 7.504 1.717 4.157 1.00 0.00 C ATOM 1734 CG2 VAL A 109 8.929 3.339 5.430 1.00 0.00 C ATOM 0 H VAL A 109 4.947 2.103 5.119 1.00 0.00 H new ATOM 0 HA VAL A 109 6.744 2.964 7.263 1.00 0.00 H new ATOM 0 HB VAL A 109 8.205 1.476 6.153 1.00 0.00 H new ATOM 0 HG11 VAL A 109 8.408 1.308 3.705 1.00 0.00 H new ATOM 0 HG12 VAL A 109 6.761 0.926 4.262 1.00 0.00 H new ATOM 0 HG13 VAL A 109 7.105 2.507 3.520 1.00 0.00 H new ATOM 0 HG21 VAL A 109 9.811 2.904 4.959 1.00 0.00 H new ATOM 0 HG22 VAL A 109 8.575 4.178 4.831 1.00 0.00 H new ATOM 0 HG23 VAL A 109 9.187 3.690 6.429 1.00 0.00 H new ATOM 1744 N CYS A 110 6.929 5.265 6.191 1.00 0.00 N ATOM 1745 CA CYS A 110 6.744 6.635 5.738 1.00 0.00 C ATOM 1746 C CYS A 110 8.063 7.396 5.769 1.00 0.00 C ATOM 1747 O CYS A 110 8.396 8.048 6.758 1.00 0.00 O ATOM 1748 CB CYS A 110 5.703 7.341 6.610 1.00 0.00 C ATOM 1749 SG CYS A 110 6.078 9.077 6.949 1.00 0.00 S ATOM 0 H CYS A 110 7.577 5.162 6.972 1.00 0.00 H new ATOM 0 HA CYS A 110 6.387 6.613 4.709 1.00 0.00 H new ATOM 0 HB2 CYS A 110 4.732 7.280 6.119 1.00 0.00 H new ATOM 0 HB3 CYS A 110 5.616 6.808 7.557 1.00 0.00 H new ATOM 0 HG CYS A 110 7.306 9.183 7.361 1.00 0.00 H new ATOM 1755 N GLY A 111 8.809 7.305 4.675 1.00 0.00 N ATOM 1756 CA GLY A 111 10.087 7.989 4.588 1.00 0.00 C ATOM 1757 C GLY A 111 9.952 9.491 4.731 1.00 0.00 C ATOM 1758 O GLY A 111 8.893 10.055 4.455 1.00 0.00 O ATOM 0 H GLY A 111 8.552 6.770 3.846 1.00 0.00 H new ATOM 0 HA2 GLY A 111 10.751 7.611 5.366 1.00 0.00 H new ATOM 0 HA3 GLY A 111 10.554 7.759 3.630 1.00 0.00 H new HETATM 1762 N NH2 A 112 11.020 10.151 5.164 1.00 0.00 N TER 1765 NH2 A 112