USER MOD reduce.3.24.130724 H: found=0, std=0, add=821, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 820 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 102 THR OG1 : rot -100:sc= 0.872 USER MOD Set 1.2: A 103 ASN :FLIP amide:sc= -0.679 F(o=-3.6!,f=0.19) USER MOD Set 2.1: A 52 ASN : amide:sc= -1.42 K(o=-1.4,f=-5.1!) USER MOD Set 2.2: A 78 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 39 LYS NZ :NH3+ -167:sc= 0.936 (180deg=-0.879) USER MOD Set 3.2: A 58 THR OG1 : rot 110:sc= 1.05 USER MOD Set 4.1: A 31 ASN : amide:sc= -2.06! C(o=-6.7!,f=-16!) USER MOD Set 4.2: A 33 HIS : no HD1:sc= -4.6! C(o=-6.7!,f=-12!) USER MOD Single : A 5 LYS NZ :NH3+ -161:sc=-0.00275 (180deg=-0.16) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -1.99! C(o=-2!,f=-2.7!) USER MOD Single : A 13 LYS NZ :NH3+ -160:sc= 0.151 (180deg=-0.0542) USER MOD Single : A 14 CYS SG : rot 180:sc= 0.0689 USER MOD Single : A 16 GLN : amide:sc= 1.26 K(o=1.3,f=0.0063) USER MOD Single : A 17 CYS SG : rot 180:sc= -0.24 USER MOD Single : A 18 HIS : no HD1:sc= -4.29! C(o=-4.3!,f=-6.4!) USER MOD Single : A 19 THR OG1 : rot 170:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ -150:sc= 0.0374 (180deg=-0.00179) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HE2:sc= -0.356! C(o=-0.36!,f=-6.7!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 88:sc= -0.788 USER MOD Single : A 42 GLN :FLIP amide:sc= -2.69! C(o=-4.5!,f=-2.7!) USER MOD Single : A 47 THR OG1 : rot -72:sc= 1.07 USER MOD Single : A 48 TYR OH : rot 15:sc= -0.801 USER MOD Single : A 49 THR OG1 : rot 140:sc= -0.493 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN :FLIP amide:sc= -4.57! C(o=-10!,f=-4.6!) USER MOD Single : A 55 LYS NZ :NH3+ -126:sc= 0.269 (180deg=-0.328) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 80:sc= -2.67! USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot -146:sc= 1.03 USER MOD Single : A 70 ASN :FLIP amide:sc= -1.66 F(o=-7.5!,f=-1.7) USER MOD Single : A 72 LYS NZ :NH3+ -150:sc= -1.97! (180deg=-3.5!) USER MOD Single : A 73 LYS NZ :NH3+ 163:sc= -0.0188 (180deg=-0.296) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl 152:sc= -0.0292 (180deg=-0.8) USER MOD Single : A 86 LYS NZ :NH3+ 164:sc=-0.000312 (180deg=-0.236) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 TYR OH : rot 150:sc= 0.0432 USER MOD Single : A 99 LYS NZ :NH3+ -150:sc= 0.666 (180deg=-0.281!) USER MOD Single : A 100 LYS NZ :NH3+ -162:sc= -0.0109 (180deg=-0.178) USER MOD ----------------------------------------------------------------- ATOM 10 N ASP A 2 74.487 8.523 -8.976 1.00 0.00 N ATOM 11 CA ASP A 2 74.014 7.736 -10.110 1.00 0.00 C ATOM 12 C ASP A 2 74.390 6.271 -9.943 1.00 0.00 C ATOM 13 O ASP A 2 75.406 5.818 -10.466 1.00 0.00 O ATOM 14 CB ASP A 2 74.618 8.269 -11.410 1.00 0.00 C ATOM 15 CG ASP A 2 74.098 9.675 -11.691 1.00 0.00 C ATOM 16 OD1 ASP A 2 74.159 10.498 -10.793 1.00 0.00 O ATOM 17 OD2 ASP A 2 73.647 9.907 -12.800 1.00 0.00 O1- ATOM 0 HA ASP A 2 72.928 7.820 -10.151 1.00 0.00 H new ATOM 0 HB2 ASP A 2 75.705 8.283 -11.336 1.00 0.00 H new ATOM 0 HB3 ASP A 2 74.363 7.606 -12.237 1.00 0.00 H new ATOM 22 N VAL A 3 73.557 5.535 -9.218 1.00 0.00 N ATOM 23 CA VAL A 3 73.801 4.119 -8.993 1.00 0.00 C ATOM 24 C VAL A 3 74.175 3.431 -10.303 1.00 0.00 C ATOM 25 O VAL A 3 74.754 2.345 -10.302 1.00 0.00 O ATOM 26 CB VAL A 3 72.546 3.468 -8.406 1.00 0.00 C ATOM 27 CG1 VAL A 3 71.336 3.819 -9.275 1.00 0.00 C ATOM 28 CG2 VAL A 3 72.721 1.949 -8.369 1.00 0.00 C ATOM 0 H VAL A 3 72.710 5.895 -8.778 1.00 0.00 H new ATOM 0 HA VAL A 3 74.628 4.010 -8.292 1.00 0.00 H new ATOM 0 HB VAL A 3 72.389 3.838 -7.393 1.00 0.00 H new ATOM 0 HG11 VAL A 3 70.442 3.356 -8.858 1.00 0.00 H new ATOM 0 HG12 VAL A 3 71.207 4.901 -9.299 1.00 0.00 H new ATOM 0 HG13 VAL A 3 71.496 3.450 -10.288 1.00 0.00 H new ATOM 0 HG21 VAL A 3 71.825 1.490 -7.950 1.00 0.00 H new ATOM 0 HG22 VAL A 3 72.881 1.576 -9.381 1.00 0.00 H new ATOM 0 HG23 VAL A 3 73.582 1.697 -7.749 1.00 0.00 H new ATOM 38 N GLU A 4 73.839 4.072 -11.420 1.00 0.00 N ATOM 39 CA GLU A 4 74.145 3.507 -12.730 1.00 0.00 C ATOM 40 C GLU A 4 75.633 3.638 -13.042 1.00 0.00 C ATOM 41 O GLU A 4 76.320 2.640 -13.266 1.00 0.00 O ATOM 42 CB GLU A 4 73.331 4.220 -13.811 1.00 0.00 C ATOM 43 CG GLU A 4 71.838 4.028 -13.538 1.00 0.00 C ATOM 44 CD GLU A 4 71.015 4.674 -14.648 1.00 0.00 C ATOM 45 OE1 GLU A 4 71.172 5.866 -14.857 1.00 0.00 O1- ATOM 46 OE2 GLU A 4 70.240 3.968 -15.273 1.00 0.00 O ATOM 0 H GLU A 4 73.360 4.972 -11.445 1.00 0.00 H new ATOM 0 HA GLU A 4 73.882 2.449 -12.715 1.00 0.00 H new ATOM 0 HB2 GLU A 4 73.575 5.282 -13.823 1.00 0.00 H new ATOM 0 HB3 GLU A 4 73.586 3.823 -14.794 1.00 0.00 H new ATOM 0 HG2 GLU A 4 71.606 2.965 -13.474 1.00 0.00 H new ATOM 0 HG3 GLU A 4 71.576 4.470 -12.576 1.00 0.00 H new ATOM 53 N LYS A 5 76.129 4.870 -13.047 1.00 0.00 N ATOM 54 CA LYS A 5 77.540 5.105 -13.328 1.00 0.00 C ATOM 55 C LYS A 5 78.387 4.654 -12.149 1.00 0.00 C ATOM 56 O LYS A 5 79.583 4.400 -12.289 1.00 0.00 O ATOM 57 CB LYS A 5 77.784 6.589 -13.609 1.00 0.00 C ATOM 58 CG LYS A 5 77.202 6.951 -14.980 1.00 0.00 C ATOM 59 CD LYS A 5 77.318 8.464 -15.211 1.00 0.00 C ATOM 60 CE LYS A 5 76.083 9.172 -14.644 1.00 0.00 C ATOM 61 NZ LYS A 5 74.927 8.965 -15.561 1.00 0.00 N1+ ATOM 0 H LYS A 5 75.583 5.712 -12.862 1.00 0.00 H new ATOM 0 HA LYS A 5 77.822 4.530 -14.210 1.00 0.00 H new ATOM 0 HB2 LYS A 5 77.321 7.198 -12.833 1.00 0.00 H new ATOM 0 HB3 LYS A 5 78.852 6.804 -13.587 1.00 0.00 H new ATOM 0 HG2 LYS A 5 77.733 6.412 -15.765 1.00 0.00 H new ATOM 0 HG3 LYS A 5 76.157 6.645 -15.034 1.00 0.00 H new ATOM 0 HD2 LYS A 5 78.219 8.846 -14.732 1.00 0.00 H new ATOM 0 HD3 LYS A 5 77.411 8.672 -16.277 1.00 0.00 H new ATOM 0 HE2 LYS A 5 75.850 8.782 -13.653 1.00 0.00 H new ATOM 0 HE3 LYS A 5 76.283 10.237 -14.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 74.198 9.682 -15.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 75.246 9.052 -16.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 74.528 8.017 -15.408 1.00 0.00 H new ATOM 75 N GLY A 6 77.750 4.529 -10.991 1.00 0.00 N ATOM 76 CA GLY A 6 78.450 4.075 -9.801 1.00 0.00 C ATOM 77 C GLY A 6 78.752 2.594 -9.945 1.00 0.00 C ATOM 78 O GLY A 6 79.804 2.109 -9.526 1.00 0.00 O ATOM 0 H GLY A 6 76.760 4.734 -10.853 1.00 0.00 H new ATOM 0 HA2 GLY A 6 79.374 4.637 -9.669 1.00 0.00 H new ATOM 0 HA3 GLY A 6 77.841 4.251 -8.915 1.00 0.00 H new ATOM 82 N LYS A 7 77.817 1.887 -10.571 1.00 0.00 N ATOM 83 CA LYS A 7 77.977 0.464 -10.804 1.00 0.00 C ATOM 84 C LYS A 7 79.116 0.229 -11.789 1.00 0.00 C ATOM 85 O LYS A 7 79.946 -0.654 -11.589 1.00 0.00 O ATOM 86 CB LYS A 7 76.681 -0.121 -11.367 1.00 0.00 C ATOM 87 CG LYS A 7 76.864 -1.617 -11.632 1.00 0.00 C ATOM 88 CD LYS A 7 75.562 -2.210 -12.187 1.00 0.00 C ATOM 89 CE LYS A 7 75.888 -3.349 -13.155 1.00 0.00 C ATOM 90 NZ LYS A 7 74.672 -4.180 -13.375 1.00 0.00 N1+ ATOM 0 H LYS A 7 76.944 2.279 -10.924 1.00 0.00 H new ATOM 0 HA LYS A 7 78.210 -0.027 -9.859 1.00 0.00 H new ATOM 0 HB2 LYS A 7 75.864 0.036 -10.663 1.00 0.00 H new ATOM 0 HB3 LYS A 7 76.410 0.391 -12.290 1.00 0.00 H new ATOM 0 HG2 LYS A 7 77.677 -1.773 -12.341 1.00 0.00 H new ATOM 0 HG3 LYS A 7 77.143 -2.127 -10.710 1.00 0.00 H new ATOM 0 HD2 LYS A 7 74.942 -2.580 -11.370 1.00 0.00 H new ATOM 0 HD3 LYS A 7 74.988 -1.438 -12.699 1.00 0.00 H new ATOM 0 HE2 LYS A 7 76.241 -2.944 -14.104 1.00 0.00 H new ATOM 0 HE3 LYS A 7 76.693 -3.964 -12.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 74.895 -4.954 -14.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 74.354 -4.577 -12.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 73.916 -3.590 -13.778 1.00 0.00 H new ATOM 104 N LYS A 8 79.150 1.029 -12.852 1.00 0.00 N ATOM 105 CA LYS A 8 80.196 0.897 -13.861 1.00 0.00 C ATOM 106 C LYS A 8 81.582 1.026 -13.227 1.00 0.00 C ATOM 107 O LYS A 8 82.486 0.236 -13.509 1.00 0.00 O ATOM 108 CB LYS A 8 80.018 1.974 -14.937 1.00 0.00 C ATOM 109 CG LYS A 8 81.203 1.939 -15.918 1.00 0.00 C ATOM 110 CD LYS A 8 82.165 3.096 -15.619 1.00 0.00 C ATOM 111 CE LYS A 8 81.528 4.432 -16.025 1.00 0.00 C ATOM 112 NZ LYS A 8 82.594 5.373 -16.471 1.00 0.00 N1+ ATOM 0 H LYS A 8 78.472 1.769 -13.036 1.00 0.00 H new ATOM 0 HA LYS A 8 80.114 -0.090 -14.315 1.00 0.00 H new ATOM 0 HB2 LYS A 8 79.085 1.811 -15.476 1.00 0.00 H new ATOM 0 HB3 LYS A 8 79.950 2.957 -14.471 1.00 0.00 H new ATOM 0 HG2 LYS A 8 81.728 0.987 -15.833 1.00 0.00 H new ATOM 0 HG3 LYS A 8 80.840 2.013 -16.943 1.00 0.00 H new ATOM 0 HD2 LYS A 8 82.411 3.109 -14.557 1.00 0.00 H new ATOM 0 HD3 LYS A 8 83.100 2.951 -16.161 1.00 0.00 H new ATOM 0 HE2 LYS A 8 80.807 4.275 -16.827 1.00 0.00 H new ATOM 0 HE3 LYS A 8 80.981 4.857 -15.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 82.164 6.279 -16.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 83.266 5.531 -15.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 83.097 4.967 -17.285 1.00 0.00 H new ATOM 126 N ILE A 9 81.742 2.029 -12.373 1.00 0.00 N ATOM 127 CA ILE A 9 83.018 2.260 -11.710 1.00 0.00 C ATOM 128 C ILE A 9 83.323 1.145 -10.716 1.00 0.00 C ATOM 129 O ILE A 9 84.477 0.919 -10.358 1.00 0.00 O ATOM 130 CB ILE A 9 82.985 3.599 -10.977 1.00 0.00 C ATOM 131 CG1 ILE A 9 82.688 4.724 -11.974 1.00 0.00 C ATOM 132 CG2 ILE A 9 84.342 3.847 -10.318 1.00 0.00 C ATOM 133 CD1 ILE A 9 82.218 5.967 -11.218 1.00 0.00 C ATOM 0 H ILE A 9 81.008 2.692 -12.124 1.00 0.00 H new ATOM 0 HA ILE A 9 83.800 2.275 -12.469 1.00 0.00 H new ATOM 0 HB ILE A 9 82.206 3.578 -10.215 1.00 0.00 H new ATOM 0 HG12 ILE A 9 83.581 4.955 -12.554 1.00 0.00 H new ATOM 0 HG13 ILE A 9 81.922 4.405 -12.681 1.00 0.00 H new ATOM 0 HG21 ILE A 9 84.323 4.802 -9.793 1.00 0.00 H new ATOM 0 HG22 ILE A 9 84.553 3.047 -9.608 1.00 0.00 H new ATOM 0 HG23 ILE A 9 85.119 3.868 -11.082 1.00 0.00 H new ATOM 0 HD11 ILE A 9 82.007 6.767 -11.928 1.00 0.00 H new ATOM 0 HD12 ILE A 9 81.313 5.732 -10.657 1.00 0.00 H new ATOM 0 HD13 ILE A 9 82.998 6.290 -10.529 1.00 0.00 H new ATOM 145 N PHE A 10 82.280 0.465 -10.262 1.00 0.00 N ATOM 146 CA PHE A 10 82.448 -0.614 -9.293 1.00 0.00 C ATOM 147 C PHE A 10 82.863 -1.921 -9.976 1.00 0.00 C ATOM 148 O PHE A 10 83.839 -2.553 -9.574 1.00 0.00 O ATOM 149 CB PHE A 10 81.132 -0.825 -8.529 1.00 0.00 C ATOM 150 CG PHE A 10 81.058 -2.248 -8.030 1.00 0.00 C ATOM 151 CD1 PHE A 10 80.547 -3.252 -8.859 1.00 0.00 C ATOM 152 CD2 PHE A 10 81.514 -2.564 -6.747 1.00 0.00 C ATOM 153 CE1 PHE A 10 80.495 -4.575 -8.408 1.00 0.00 C ATOM 154 CE2 PHE A 10 81.458 -3.886 -6.293 1.00 0.00 C ATOM 155 CZ PHE A 10 80.950 -4.893 -7.124 1.00 0.00 C ATOM 0 H PHE A 10 81.315 0.637 -10.545 1.00 0.00 H new ATOM 0 HA PHE A 10 83.240 -0.330 -8.601 1.00 0.00 H new ATOM 0 HB2 PHE A 10 81.072 -0.131 -7.690 1.00 0.00 H new ATOM 0 HB3 PHE A 10 80.284 -0.613 -9.180 1.00 0.00 H new ATOM 0 HD1 PHE A 10 80.192 -3.005 -9.849 1.00 0.00 H new ATOM 0 HD2 PHE A 10 81.909 -1.789 -6.107 1.00 0.00 H new ATOM 0 HE1 PHE A 10 80.104 -5.350 -9.050 1.00 0.00 H new ATOM 0 HE2 PHE A 10 81.807 -4.131 -5.301 1.00 0.00 H new ATOM 0 HZ PHE A 10 80.910 -5.914 -6.774 1.00 0.00 H new ATOM 165 N VAL A 11 82.109 -2.326 -10.993 1.00 0.00 N ATOM 166 CA VAL A 11 82.394 -3.570 -11.704 1.00 0.00 C ATOM 167 C VAL A 11 83.823 -3.595 -12.219 1.00 0.00 C ATOM 168 O VAL A 11 84.435 -4.657 -12.330 1.00 0.00 O ATOM 169 CB VAL A 11 81.442 -3.734 -12.889 1.00 0.00 C ATOM 170 CG1 VAL A 11 80.009 -3.865 -12.381 1.00 0.00 C ATOM 171 CG2 VAL A 11 81.546 -2.511 -13.797 1.00 0.00 C ATOM 0 H VAL A 11 81.299 -1.814 -11.343 1.00 0.00 H new ATOM 0 HA VAL A 11 82.256 -4.389 -10.998 1.00 0.00 H new ATOM 0 HB VAL A 11 81.712 -4.630 -13.448 1.00 0.00 H new ATOM 0 HG11 VAL A 11 79.332 -3.982 -13.227 1.00 0.00 H new ATOM 0 HG12 VAL A 11 79.932 -4.737 -11.731 1.00 0.00 H new ATOM 0 HG13 VAL A 11 79.738 -2.970 -11.821 1.00 0.00 H new ATOM 0 HG21 VAL A 11 80.868 -2.627 -14.642 1.00 0.00 H new ATOM 0 HG22 VAL A 11 81.276 -1.617 -13.235 1.00 0.00 H new ATOM 0 HG23 VAL A 11 82.568 -2.415 -14.163 1.00 0.00 H new ATOM 181 N GLN A 12 84.342 -2.427 -12.562 1.00 0.00 N ATOM 182 CA GLN A 12 85.696 -2.347 -13.097 1.00 0.00 C ATOM 183 C GLN A 12 86.738 -2.073 -12.014 1.00 0.00 C ATOM 184 O GLN A 12 87.909 -2.413 -12.182 1.00 0.00 O ATOM 185 CB GLN A 12 85.766 -1.243 -14.152 1.00 0.00 C ATOM 186 CG GLN A 12 85.597 0.123 -13.486 1.00 0.00 C ATOM 187 CD GLN A 12 85.480 1.196 -14.560 1.00 0.00 C ATOM 188 OE1 GLN A 12 85.244 2.364 -14.254 1.00 0.00 O ATOM 189 NE2 GLN A 12 85.636 0.864 -15.811 1.00 0.00 N ATOM 0 H GLN A 12 83.857 -1.533 -12.482 1.00 0.00 H new ATOM 0 HA GLN A 12 85.926 -3.317 -13.539 1.00 0.00 H new ATOM 0 HB2 GLN A 12 86.722 -1.287 -14.675 1.00 0.00 H new ATOM 0 HB3 GLN A 12 84.987 -1.392 -14.899 1.00 0.00 H new ATOM 0 HG2 GLN A 12 84.708 0.125 -12.855 1.00 0.00 H new ATOM 0 HG3 GLN A 12 86.448 0.332 -12.838 1.00 0.00 H new ATOM 0 HE21 GLN A 12 85.832 -0.105 -16.061 1.00 0.00 H new ATOM 0 HE22 GLN A 12 85.563 1.574 -16.540 1.00 0.00 H new ATOM 198 N LYS A 13 86.333 -1.422 -10.925 1.00 0.00 N ATOM 199 CA LYS A 13 87.289 -1.080 -9.867 1.00 0.00 C ATOM 200 C LYS A 13 87.231 -2.009 -8.645 1.00 0.00 C ATOM 201 O LYS A 13 88.219 -2.666 -8.324 1.00 0.00 O ATOM 202 CB LYS A 13 87.058 0.369 -9.421 1.00 0.00 C ATOM 203 CG LYS A 13 88.347 0.942 -8.818 1.00 0.00 C ATOM 204 CD LYS A 13 88.214 2.464 -8.660 1.00 0.00 C ATOM 205 CE LYS A 13 88.744 3.163 -9.914 1.00 0.00 C ATOM 206 NZ LYS A 13 90.235 3.159 -9.892 1.00 0.00 N1+ ATOM 0 H LYS A 13 85.373 -1.125 -10.751 1.00 0.00 H new ATOM 0 HA LYS A 13 88.282 -1.206 -10.298 1.00 0.00 H new ATOM 0 HB2 LYS A 13 86.743 0.974 -10.271 1.00 0.00 H new ATOM 0 HB3 LYS A 13 86.254 0.409 -8.686 1.00 0.00 H new ATOM 0 HG2 LYS A 13 88.542 0.482 -7.849 1.00 0.00 H new ATOM 0 HG3 LYS A 13 89.196 0.706 -9.460 1.00 0.00 H new ATOM 0 HD2 LYS A 13 87.170 2.732 -8.497 1.00 0.00 H new ATOM 0 HD3 LYS A 13 88.770 2.798 -7.784 1.00 0.00 H new ATOM 0 HE2 LYS A 13 88.381 2.655 -10.807 1.00 0.00 H new ATOM 0 HE3 LYS A 13 88.373 4.187 -9.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 90.594 3.898 -10.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 90.568 3.344 -8.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 90.584 2.231 -10.207 1.00 0.00 H new ATOM 220 N CYS A 14 86.108 -2.011 -7.928 1.00 0.00 N ATOM 221 CA CYS A 14 85.999 -2.813 -6.700 1.00 0.00 C ATOM 222 C CYS A 14 85.680 -4.290 -6.944 1.00 0.00 C ATOM 223 O CYS A 14 86.208 -5.156 -6.247 1.00 0.00 O ATOM 224 CB CYS A 14 84.937 -2.211 -5.776 1.00 0.00 C ATOM 225 SG CYS A 14 84.885 -0.407 -5.974 1.00 0.00 S ATOM 0 H CYS A 14 85.272 -1.478 -8.166 1.00 0.00 H new ATOM 0 HA CYS A 14 86.984 -2.782 -6.235 1.00 0.00 H new ATOM 0 HB2 CYS A 14 83.961 -2.638 -6.005 1.00 0.00 H new ATOM 0 HB3 CYS A 14 85.160 -2.464 -4.740 1.00 0.00 H new ATOM 0 HG CYS A 14 83.978 0.090 -5.186 1.00 0.00 H new ATOM 230 N ALA A 15 84.815 -4.587 -7.900 1.00 0.00 N ATOM 231 CA ALA A 15 84.454 -5.979 -8.158 1.00 0.00 C ATOM 232 C ALA A 15 85.701 -6.856 -8.242 1.00 0.00 C ATOM 233 O ALA A 15 85.646 -8.056 -7.970 1.00 0.00 O ATOM 234 CB ALA A 15 83.662 -6.085 -9.460 1.00 0.00 C ATOM 0 H ALA A 15 84.356 -3.902 -8.501 1.00 0.00 H new ATOM 0 HA ALA A 15 83.837 -6.329 -7.331 1.00 0.00 H new ATOM 0 HB1 ALA A 15 83.399 -7.127 -9.642 1.00 0.00 H new ATOM 0 HB2 ALA A 15 82.753 -5.489 -9.382 1.00 0.00 H new ATOM 0 HB3 ALA A 15 84.269 -5.715 -10.286 1.00 0.00 H new ATOM 240 N GLN A 16 86.818 -6.253 -8.625 1.00 0.00 N ATOM 241 CA GLN A 16 88.072 -6.987 -8.751 1.00 0.00 C ATOM 242 C GLN A 16 88.347 -7.851 -7.515 1.00 0.00 C ATOM 243 O GLN A 16 88.375 -9.078 -7.608 1.00 0.00 O ATOM 244 CB GLN A 16 89.230 -6.004 -8.968 1.00 0.00 C ATOM 245 CG GLN A 16 89.567 -5.919 -10.459 1.00 0.00 C ATOM 246 CD GLN A 16 90.685 -4.905 -10.683 1.00 0.00 C ATOM 247 OE1 GLN A 16 91.802 -5.280 -11.038 1.00 0.00 O ATOM 248 NE2 GLN A 16 90.448 -3.636 -10.496 1.00 0.00 N ATOM 0 H GLN A 16 86.883 -5.261 -8.853 1.00 0.00 H new ATOM 0 HA GLN A 16 87.987 -7.651 -9.611 1.00 0.00 H new ATOM 0 HB2 GLN A 16 88.958 -5.018 -8.591 1.00 0.00 H new ATOM 0 HB3 GLN A 16 90.105 -6.330 -8.406 1.00 0.00 H new ATOM 0 HG2 GLN A 16 89.873 -6.898 -10.828 1.00 0.00 H new ATOM 0 HG3 GLN A 16 88.682 -5.628 -11.025 1.00 0.00 H new ATOM 0 HE21 GLN A 16 89.521 -3.328 -10.202 1.00 0.00 H new ATOM 0 HE22 GLN A 16 91.190 -2.951 -10.644 1.00 0.00 H new ATOM 257 N CYS A 17 88.568 -7.211 -6.363 1.00 0.00 N ATOM 258 CA CYS A 17 88.862 -7.953 -5.130 1.00 0.00 C ATOM 259 C CYS A 17 87.773 -7.753 -4.070 1.00 0.00 C ATOM 260 O CYS A 17 88.082 -7.525 -2.902 1.00 0.00 O ATOM 261 CB CYS A 17 90.220 -7.506 -4.555 1.00 0.00 C ATOM 262 SG CYS A 17 91.197 -6.669 -5.832 1.00 0.00 S ATOM 0 H CYS A 17 88.550 -6.197 -6.257 1.00 0.00 H new ATOM 0 HA CYS A 17 88.896 -9.012 -5.388 1.00 0.00 H new ATOM 0 HB2 CYS A 17 90.062 -6.836 -3.710 1.00 0.00 H new ATOM 0 HB3 CYS A 17 90.766 -8.371 -4.178 1.00 0.00 H new ATOM 0 HG CYS A 17 92.337 -6.296 -5.331 1.00 0.00 H new ATOM 267 N HIS A 18 86.506 -7.852 -4.467 1.00 0.00 N ATOM 268 CA HIS A 18 85.414 -7.686 -3.505 1.00 0.00 C ATOM 269 C HIS A 18 84.155 -8.421 -3.959 1.00 0.00 C ATOM 270 O HIS A 18 84.149 -9.095 -4.989 1.00 0.00 O ATOM 271 CB HIS A 18 85.092 -6.202 -3.317 1.00 0.00 C ATOM 272 CG HIS A 18 86.129 -5.560 -2.434 1.00 0.00 C ATOM 273 ND1 HIS A 18 86.788 -6.250 -1.425 1.00 0.00 N ATOM 274 CD2 HIS A 18 86.629 -4.285 -2.400 1.00 0.00 C ATOM 275 CE1 HIS A 18 87.639 -5.390 -0.833 1.00 0.00 C ATOM 276 NE2 HIS A 18 87.577 -4.179 -1.393 1.00 0.00 N ATOM 0 H HIS A 18 86.212 -8.042 -5.425 1.00 0.00 H new ATOM 0 HA HIS A 18 85.744 -8.113 -2.558 1.00 0.00 H new ATOM 0 HB2 HIS A 18 85.066 -5.701 -4.285 1.00 0.00 H new ATOM 0 HB3 HIS A 18 84.103 -6.089 -2.873 1.00 0.00 H new ATOM 0 HD2 HIS A 18 86.330 -3.483 -3.058 1.00 0.00 H new ATOM 0 HE1 HIS A 18 88.289 -5.647 -0.010 1.00 0.00 H new ATOM 0 HE2 HIS A 18 88.114 -3.351 -1.135 1.00 0.00 H new ATOM 284 N THR A 19 83.089 -8.284 -3.168 1.00 0.00 N ATOM 285 CA THR A 19 81.818 -8.937 -3.473 1.00 0.00 C ATOM 286 C THR A 19 80.654 -7.968 -3.252 1.00 0.00 C ATOM 287 O THR A 19 79.693 -7.951 -4.021 1.00 0.00 O ATOM 288 CB THR A 19 81.653 -10.168 -2.568 1.00 0.00 C ATOM 289 OG1 THR A 19 82.754 -10.236 -1.673 1.00 0.00 O ATOM 290 CG2 THR A 19 81.615 -11.440 -3.416 1.00 0.00 C ATOM 0 H THR A 19 83.082 -7.727 -2.313 1.00 0.00 H new ATOM 0 HA THR A 19 81.816 -9.246 -4.518 1.00 0.00 H new ATOM 0 HB THR A 19 80.721 -10.083 -2.010 1.00 0.00 H new ATOM 0 HG1 THR A 19 82.579 -10.917 -0.991 1.00 0.00 H new ATOM 0 HG21 THR A 19 81.498 -12.307 -2.766 1.00 0.00 H new ATOM 0 HG22 THR A 19 80.775 -11.390 -4.109 1.00 0.00 H new ATOM 0 HG23 THR A 19 82.545 -11.531 -3.978 1.00 0.00 H new ATOM 298 N VAL A 20 80.753 -7.168 -2.194 1.00 0.00 N ATOM 299 CA VAL A 20 79.715 -6.194 -1.863 1.00 0.00 C ATOM 300 C VAL A 20 78.318 -6.785 -2.025 1.00 0.00 C ATOM 301 O VAL A 20 77.366 -6.062 -2.313 1.00 0.00 O ATOM 302 CB VAL A 20 79.852 -4.941 -2.735 1.00 0.00 C ATOM 303 CG1 VAL A 20 81.270 -4.383 -2.612 1.00 0.00 C ATOM 304 CG2 VAL A 20 79.572 -5.287 -4.196 1.00 0.00 C ATOM 0 H VAL A 20 81.543 -7.175 -1.549 1.00 0.00 H new ATOM 0 HA VAL A 20 79.850 -5.920 -0.817 1.00 0.00 H new ATOM 0 HB VAL A 20 79.133 -4.195 -2.397 1.00 0.00 H new ATOM 0 HG11 VAL A 20 81.366 -3.492 -3.233 1.00 0.00 H new ATOM 0 HG12 VAL A 20 81.470 -4.124 -1.572 1.00 0.00 H new ATOM 0 HG13 VAL A 20 81.987 -5.134 -2.943 1.00 0.00 H new ATOM 0 HG21 VAL A 20 79.672 -4.390 -4.808 1.00 0.00 H new ATOM 0 HG22 VAL A 20 80.285 -6.039 -4.535 1.00 0.00 H new ATOM 0 HG23 VAL A 20 78.559 -5.679 -4.289 1.00 0.00 H new ATOM 314 N GLU A 21 78.194 -8.096 -1.828 1.00 0.00 N ATOM 315 CA GLU A 21 76.895 -8.758 -1.947 1.00 0.00 C ATOM 316 C GLU A 21 76.552 -9.489 -0.653 1.00 0.00 C ATOM 317 O GLU A 21 77.368 -10.231 -0.108 1.00 0.00 O ATOM 318 CB GLU A 21 76.900 -9.747 -3.116 1.00 0.00 C ATOM 319 CG GLU A 21 78.160 -10.618 -3.062 1.00 0.00 C ATOM 320 CD GLU A 21 77.920 -11.925 -3.812 1.00 0.00 C ATOM 321 OE1 GLU A 21 76.909 -12.555 -3.554 1.00 0.00 O1- ATOM 322 OE2 GLU A 21 78.752 -12.276 -4.633 1.00 0.00 O ATOM 0 H GLU A 21 78.968 -8.716 -1.588 1.00 0.00 H new ATOM 0 HA GLU A 21 76.139 -7.995 -2.136 1.00 0.00 H new ATOM 0 HB2 GLU A 21 76.011 -10.376 -3.074 1.00 0.00 H new ATOM 0 HB3 GLU A 21 76.863 -9.205 -4.061 1.00 0.00 H new ATOM 0 HG2 GLU A 21 79.001 -10.084 -3.504 1.00 0.00 H new ATOM 0 HG3 GLU A 21 78.424 -10.827 -2.025 1.00 0.00 H new ATOM 329 N LYS A 22 75.339 -9.265 -0.161 1.00 0.00 N ATOM 330 CA LYS A 22 74.897 -9.898 1.075 1.00 0.00 C ATOM 331 C LYS A 22 74.706 -11.400 0.879 1.00 0.00 C ATOM 332 O LYS A 22 73.924 -11.831 0.033 1.00 0.00 O ATOM 333 CB LYS A 22 73.574 -9.276 1.532 1.00 0.00 C ATOM 334 CG LYS A 22 73.298 -9.653 2.995 1.00 0.00 C ATOM 335 CD LYS A 22 73.844 -8.563 3.927 1.00 0.00 C ATOM 336 CE LYS A 22 72.801 -7.454 4.092 1.00 0.00 C ATOM 337 NZ LYS A 22 73.453 -6.236 4.651 1.00 0.00 N1+ ATOM 0 H LYS A 22 74.648 -8.654 -0.596 1.00 0.00 H new ATOM 0 HA LYS A 22 75.663 -9.738 1.833 1.00 0.00 H new ATOM 0 HB2 LYS A 22 73.617 -8.192 1.428 1.00 0.00 H new ATOM 0 HB3 LYS A 22 72.759 -9.625 0.897 1.00 0.00 H new ATOM 0 HG2 LYS A 22 72.226 -9.775 3.152 1.00 0.00 H new ATOM 0 HG3 LYS A 22 73.765 -10.610 3.227 1.00 0.00 H new ATOM 0 HD2 LYS A 22 74.090 -8.992 4.899 1.00 0.00 H new ATOM 0 HD3 LYS A 22 74.766 -8.150 3.518 1.00 0.00 H new ATOM 0 HE2 LYS A 22 72.343 -7.225 3.130 1.00 0.00 H new ATOM 0 HE3 LYS A 22 72.002 -7.788 4.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 72.764 -5.703 5.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 74.255 -6.516 5.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 73.796 -5.637 3.873 1.00 0.00 H new ATOM 351 N GLY A 23 75.418 -12.190 1.677 1.00 0.00 N ATOM 352 CA GLY A 23 75.313 -13.643 1.594 1.00 0.00 C ATOM 353 C GLY A 23 76.195 -14.208 0.487 1.00 0.00 C ATOM 354 O GLY A 23 75.984 -15.332 0.028 1.00 0.00 O ATOM 0 H GLY A 23 76.070 -11.851 2.384 1.00 0.00 H new ATOM 0 HA2 GLY A 23 75.600 -14.084 2.549 1.00 0.00 H new ATOM 0 HA3 GLY A 23 74.276 -13.923 1.412 1.00 0.00 H new ATOM 358 N GLY A 24 77.186 -13.431 0.064 1.00 0.00 N ATOM 359 CA GLY A 24 78.093 -13.877 -0.988 1.00 0.00 C ATOM 360 C GLY A 24 79.294 -14.604 -0.397 1.00 0.00 C ATOM 361 O GLY A 24 79.155 -15.403 0.529 1.00 0.00 O ATOM 0 H GLY A 24 77.381 -12.499 0.429 1.00 0.00 H new ATOM 0 HA2 GLY A 24 77.564 -14.538 -1.674 1.00 0.00 H new ATOM 0 HA3 GLY A 24 78.432 -13.020 -1.570 1.00 0.00 H new ATOM 365 N LYS A 25 80.474 -14.321 -0.940 1.00 0.00 N ATOM 366 CA LYS A 25 81.699 -14.953 -0.460 1.00 0.00 C ATOM 367 C LYS A 25 82.896 -14.035 -0.689 1.00 0.00 C ATOM 368 O LYS A 25 83.241 -13.718 -1.827 1.00 0.00 O ATOM 369 CB LYS A 25 81.920 -16.283 -1.187 1.00 0.00 C ATOM 370 CG LYS A 25 81.561 -16.127 -2.666 1.00 0.00 C ATOM 371 CD LYS A 25 81.785 -17.457 -3.390 1.00 0.00 C ATOM 372 CE LYS A 25 81.146 -17.397 -4.779 1.00 0.00 C ATOM 373 NZ LYS A 25 81.199 -18.747 -5.408 1.00 0.00 N1+ ATOM 0 H LYS A 25 80.608 -13.663 -1.708 1.00 0.00 H new ATOM 0 HA LYS A 25 81.599 -15.140 0.609 1.00 0.00 H new ATOM 0 HB2 LYS A 25 82.959 -16.596 -1.086 1.00 0.00 H new ATOM 0 HB3 LYS A 25 81.307 -17.062 -0.734 1.00 0.00 H new ATOM 0 HG2 LYS A 25 80.521 -15.816 -2.768 1.00 0.00 H new ATOM 0 HG3 LYS A 25 82.173 -15.347 -3.119 1.00 0.00 H new ATOM 0 HD2 LYS A 25 82.852 -17.660 -3.478 1.00 0.00 H new ATOM 0 HD3 LYS A 25 81.351 -18.274 -2.814 1.00 0.00 H new ATOM 0 HE2 LYS A 25 80.112 -17.060 -4.701 1.00 0.00 H new ATOM 0 HE3 LYS A 25 81.671 -16.673 -5.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 80.765 -18.707 -6.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 82.190 -19.051 -5.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 80.679 -19.426 -4.816 1.00 0.00 H new ATOM 387 N HIS A 26 83.525 -13.610 0.401 1.00 0.00 N ATOM 388 CA HIS A 26 84.681 -12.727 0.309 1.00 0.00 C ATOM 389 C HIS A 26 85.828 -13.416 -0.429 1.00 0.00 C ATOM 390 O HIS A 26 86.149 -14.572 -0.157 1.00 0.00 O ATOM 391 CB HIS A 26 85.140 -12.320 1.713 1.00 0.00 C ATOM 392 CG HIS A 26 85.018 -13.497 2.642 1.00 0.00 C ATOM 393 ND1 HIS A 26 85.120 -14.805 2.194 1.00 0.00 N ATOM 394 CD2 HIS A 26 84.804 -13.580 3.995 1.00 0.00 C ATOM 395 CE1 HIS A 26 84.969 -15.611 3.262 1.00 0.00 C ATOM 396 NE2 HIS A 26 84.774 -14.915 4.384 1.00 0.00 N ATOM 0 H HIS A 26 83.256 -13.861 1.352 1.00 0.00 H new ATOM 0 HA HIS A 26 84.392 -11.837 -0.250 1.00 0.00 H new ATOM 0 HB2 HIS A 26 86.173 -11.972 1.683 1.00 0.00 H new ATOM 0 HB3 HIS A 26 84.535 -11.490 2.079 1.00 0.00 H new ATOM 0 HD1 HIS A 26 85.280 -15.102 1.232 1.00 0.00 H new ATOM 0 HD2 HIS A 26 84.678 -12.736 4.657 1.00 0.00 H new ATOM 0 HE1 HIS A 26 85.002 -16.690 3.216 1.00 0.00 H new ATOM 405 N LYS A 27 86.442 -12.690 -1.360 1.00 0.00 N ATOM 406 CA LYS A 27 87.556 -13.230 -2.135 1.00 0.00 C ATOM 407 C LYS A 27 88.627 -12.162 -2.329 1.00 0.00 C ATOM 408 O LYS A 27 88.316 -10.998 -2.582 1.00 0.00 O ATOM 409 CB LYS A 27 87.060 -13.714 -3.499 1.00 0.00 C ATOM 410 CG LYS A 27 86.420 -12.549 -4.254 1.00 0.00 C ATOM 411 CD LYS A 27 85.806 -13.061 -5.558 1.00 0.00 C ATOM 412 CE LYS A 27 85.004 -11.939 -6.222 1.00 0.00 C ATOM 413 NZ LYS A 27 84.217 -12.496 -7.359 1.00 0.00 N1+ ATOM 0 H LYS A 27 86.188 -11.730 -1.595 1.00 0.00 H new ATOM 0 HA LYS A 27 87.985 -14.071 -1.590 1.00 0.00 H new ATOM 0 HB2 LYS A 27 87.890 -14.122 -4.075 1.00 0.00 H new ATOM 0 HB3 LYS A 27 86.336 -14.518 -3.370 1.00 0.00 H new ATOM 0 HG2 LYS A 27 85.653 -12.080 -3.638 1.00 0.00 H new ATOM 0 HG3 LYS A 27 87.168 -11.785 -4.467 1.00 0.00 H new ATOM 0 HD2 LYS A 27 86.591 -13.408 -6.230 1.00 0.00 H new ATOM 0 HD3 LYS A 27 85.159 -13.915 -5.357 1.00 0.00 H new ATOM 0 HE2 LYS A 27 84.336 -11.476 -5.496 1.00 0.00 H new ATOM 0 HE3 LYS A 27 85.676 -11.159 -6.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 83.672 -11.734 -7.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 84.864 -12.918 -8.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 83.565 -13.225 -7.006 1.00 0.00 H new ATOM 427 N THR A 28 89.890 -12.560 -2.200 1.00 0.00 N ATOM 428 CA THR A 28 90.995 -11.620 -2.355 1.00 0.00 C ATOM 429 C THR A 28 90.669 -10.309 -1.646 1.00 0.00 C ATOM 430 O THR A 28 91.159 -9.244 -2.020 1.00 0.00 O ATOM 431 CB THR A 28 91.253 -11.356 -3.842 1.00 0.00 C ATOM 432 OG1 THR A 28 91.190 -12.582 -4.555 1.00 0.00 O ATOM 433 CG2 THR A 28 92.640 -10.730 -4.028 1.00 0.00 C ATOM 0 H THR A 28 90.172 -13.518 -1.991 1.00 0.00 H new ATOM 0 HA THR A 28 91.891 -12.052 -1.909 1.00 0.00 H new ATOM 0 HB THR A 28 90.496 -10.670 -4.222 1.00 0.00 H new ATOM 0 HG1 THR A 28 91.353 -12.416 -5.507 1.00 0.00 H new ATOM 0 HG21 THR A 28 92.817 -10.545 -5.088 1.00 0.00 H new ATOM 0 HG22 THR A 28 92.690 -9.788 -3.482 1.00 0.00 H new ATOM 0 HG23 THR A 28 93.401 -11.411 -3.647 1.00 0.00 H new ATOM 441 N GLY A 29 89.835 -10.403 -0.617 1.00 0.00 N ATOM 442 CA GLY A 29 89.440 -9.228 0.150 1.00 0.00 C ATOM 443 C GLY A 29 88.144 -9.498 0.910 1.00 0.00 C ATOM 444 O GLY A 29 87.358 -10.360 0.521 1.00 0.00 O ATOM 0 H GLY A 29 89.420 -11.278 -0.295 1.00 0.00 H new ATOM 0 HA2 GLY A 29 90.231 -8.961 0.851 1.00 0.00 H new ATOM 0 HA3 GLY A 29 89.306 -8.378 -0.519 1.00 0.00 H new ATOM 448 N PRO A 30 87.912 -8.782 1.979 1.00 0.00 N ATOM 449 CA PRO A 30 86.683 -8.953 2.809 1.00 0.00 C ATOM 450 C PRO A 30 85.430 -8.456 2.089 1.00 0.00 C ATOM 451 O PRO A 30 85.506 -7.927 0.980 1.00 0.00 O ATOM 452 CB PRO A 30 86.969 -8.112 4.059 1.00 0.00 C ATOM 453 CG PRO A 30 87.959 -7.083 3.619 1.00 0.00 C ATOM 454 CD PRO A 30 88.793 -7.731 2.514 1.00 0.00 C ATOM 0 HA PRO A 30 86.482 -10.000 3.034 1.00 0.00 H new ATOM 0 HB2 PRO A 30 86.059 -7.647 4.438 1.00 0.00 H new ATOM 0 HB3 PRO A 30 87.371 -8.727 4.864 1.00 0.00 H new ATOM 0 HG2 PRO A 30 87.454 -6.190 3.251 1.00 0.00 H new ATOM 0 HG3 PRO A 30 88.591 -6.772 4.451 1.00 0.00 H new ATOM 0 HD2 PRO A 30 89.067 -7.009 1.745 1.00 0.00 H new ATOM 0 HD3 PRO A 30 89.721 -8.148 2.906 1.00 0.00 H new ATOM 462 N ASN A 31 84.279 -8.627 2.733 1.00 0.00 N ATOM 463 CA ASN A 31 83.012 -8.188 2.154 1.00 0.00 C ATOM 464 C ASN A 31 82.644 -6.813 2.700 1.00 0.00 C ATOM 465 O ASN A 31 83.191 -6.378 3.711 1.00 0.00 O ATOM 466 CB ASN A 31 81.909 -9.192 2.497 1.00 0.00 C ATOM 467 CG ASN A 31 81.547 -9.090 3.976 1.00 0.00 C ATOM 468 OD1 ASN A 31 81.054 -8.056 4.426 1.00 0.00 O ATOM 469 ND2 ASN A 31 81.766 -10.109 4.763 1.00 0.00 N ATOM 0 H ASN A 31 84.197 -9.064 3.651 1.00 0.00 H new ATOM 0 HA ASN A 31 83.117 -8.127 1.071 1.00 0.00 H new ATOM 0 HB2 ASN A 31 81.028 -8.999 1.885 1.00 0.00 H new ATOM 0 HB3 ASN A 31 82.243 -10.204 2.265 1.00 0.00 H new ATOM 0 HD21 ASN A 31 81.528 -10.049 5.753 1.00 0.00 H new ATOM 0 HD22 ASN A 31 82.175 -10.965 4.388 1.00 0.00 H new ATOM 476 N LEU A 32 81.718 -6.133 2.029 1.00 0.00 N ATOM 477 CA LEU A 32 81.289 -4.804 2.468 1.00 0.00 C ATOM 478 C LEU A 32 79.812 -4.818 2.862 1.00 0.00 C ATOM 479 O LEU A 32 79.094 -3.842 2.641 1.00 0.00 O ATOM 480 CB LEU A 32 81.500 -3.769 1.353 1.00 0.00 C ATOM 481 CG LEU A 32 82.912 -3.877 0.756 1.00 0.00 C ATOM 482 CD1 LEU A 32 83.166 -2.667 -0.150 1.00 0.00 C ATOM 483 CD2 LEU A 32 83.968 -3.894 1.870 1.00 0.00 C ATOM 0 H LEU A 32 81.253 -6.474 1.188 1.00 0.00 H new ATOM 0 HA LEU A 32 81.893 -4.530 3.333 1.00 0.00 H new ATOM 0 HB2 LEU A 32 80.758 -3.919 0.569 1.00 0.00 H new ATOM 0 HB3 LEU A 32 81.346 -2.766 1.750 1.00 0.00 H new ATOM 0 HG LEU A 32 82.983 -4.803 0.185 1.00 0.00 H new ATOM 0 HD11 LEU A 32 84.166 -2.736 -0.578 1.00 0.00 H new ATOM 0 HD12 LEU A 32 82.429 -2.652 -0.952 1.00 0.00 H new ATOM 0 HD13 LEU A 32 83.084 -1.751 0.435 1.00 0.00 H new ATOM 0 HD21 LEU A 32 84.962 -3.971 1.428 1.00 0.00 H new ATOM 0 HD22 LEU A 32 83.899 -2.974 2.451 1.00 0.00 H new ATOM 0 HD23 LEU A 32 83.794 -4.749 2.523 1.00 0.00 H new ATOM 495 N HIS A 33 79.363 -5.924 3.449 1.00 0.00 N ATOM 496 CA HIS A 33 77.969 -6.041 3.870 1.00 0.00 C ATOM 497 C HIS A 33 77.630 -4.958 4.891 1.00 0.00 C ATOM 498 O HIS A 33 78.447 -4.638 5.753 1.00 0.00 O ATOM 499 CB HIS A 33 77.723 -7.418 4.493 1.00 0.00 C ATOM 500 CG HIS A 33 78.187 -8.491 3.547 1.00 0.00 C ATOM 501 ND1 HIS A 33 78.612 -9.733 3.991 1.00 0.00 N ATOM 502 CD2 HIS A 33 78.298 -8.524 2.179 1.00 0.00 C ATOM 503 CE1 HIS A 33 78.955 -10.455 2.909 1.00 0.00 C ATOM 504 NE2 HIS A 33 78.782 -9.766 1.779 1.00 0.00 N ATOM 0 H HIS A 33 79.937 -6.745 3.643 1.00 0.00 H new ATOM 0 HA HIS A 33 77.333 -5.919 2.993 1.00 0.00 H new ATOM 0 HB2 HIS A 33 78.255 -7.500 5.441 1.00 0.00 H new ATOM 0 HB3 HIS A 33 76.663 -7.545 4.711 1.00 0.00 H new ATOM 0 HD2 HIS A 33 78.048 -7.710 1.515 1.00 0.00 H new ATOM 0 HE1 HIS A 33 79.325 -11.469 2.950 1.00 0.00 H new ATOM 0 HE2 HIS A 33 78.965 -10.082 0.827 1.00 0.00 H new ATOM 513 N GLY A 34 76.424 -4.397 4.790 1.00 0.00 N ATOM 514 CA GLY A 34 75.996 -3.348 5.717 1.00 0.00 C ATOM 515 C GLY A 34 77.183 -2.490 6.145 1.00 0.00 C ATOM 516 O GLY A 34 77.244 -2.006 7.275 1.00 0.00 O ATOM 0 H GLY A 34 75.733 -4.648 4.083 1.00 0.00 H new ATOM 0 HA2 GLY A 34 75.241 -2.722 5.242 1.00 0.00 H new ATOM 0 HA3 GLY A 34 75.531 -3.798 6.594 1.00 0.00 H new ATOM 520 N LEU A 35 78.126 -2.325 5.227 1.00 0.00 N ATOM 521 CA LEU A 35 79.327 -1.543 5.489 1.00 0.00 C ATOM 522 C LEU A 35 78.993 -0.245 6.219 1.00 0.00 C ATOM 523 O LEU A 35 79.512 0.028 7.301 1.00 0.00 O ATOM 524 CB LEU A 35 80.008 -1.226 4.151 1.00 0.00 C ATOM 525 CG LEU A 35 81.241 -0.335 4.365 1.00 0.00 C ATOM 526 CD1 LEU A 35 82.465 -1.205 4.660 1.00 0.00 C ATOM 527 CD2 LEU A 35 81.505 0.485 3.099 1.00 0.00 C ATOM 0 H LEU A 35 78.082 -2.725 4.290 1.00 0.00 H new ATOM 0 HA LEU A 35 79.994 -2.122 6.127 1.00 0.00 H new ATOM 0 HB2 LEU A 35 80.304 -2.153 3.660 1.00 0.00 H new ATOM 0 HB3 LEU A 35 79.302 -0.725 3.488 1.00 0.00 H new ATOM 0 HG LEU A 35 81.056 0.332 5.207 1.00 0.00 H new ATOM 0 HD11 LEU A 35 83.336 -0.568 4.811 1.00 0.00 H new ATOM 0 HD12 LEU A 35 82.285 -1.793 5.560 1.00 0.00 H new ATOM 0 HD13 LEU A 35 82.646 -1.875 3.819 1.00 0.00 H new ATOM 0 HD21 LEU A 35 82.380 1.117 3.251 1.00 0.00 H new ATOM 0 HD22 LEU A 35 81.685 -0.188 2.261 1.00 0.00 H new ATOM 0 HD23 LEU A 35 80.639 1.110 2.883 1.00 0.00 H new ATOM 539 N PHE A 36 78.136 0.556 5.613 1.00 0.00 N ATOM 540 CA PHE A 36 77.753 1.835 6.200 1.00 0.00 C ATOM 541 C PHE A 36 77.175 1.653 7.603 1.00 0.00 C ATOM 542 O PHE A 36 75.970 1.464 7.766 1.00 0.00 O ATOM 543 CB PHE A 36 76.725 2.530 5.301 1.00 0.00 C ATOM 544 CG PHE A 36 77.215 2.523 3.870 1.00 0.00 C ATOM 545 CD1 PHE A 36 77.023 1.390 3.068 1.00 0.00 C ATOM 546 CD2 PHE A 36 77.870 3.646 3.346 1.00 0.00 C ATOM 547 CE1 PHE A 36 77.484 1.380 1.746 1.00 0.00 C ATOM 548 CE2 PHE A 36 78.329 3.635 2.025 1.00 0.00 C ATOM 549 CZ PHE A 36 78.138 2.503 1.225 1.00 0.00 C ATOM 0 H PHE A 36 77.692 0.349 4.719 1.00 0.00 H new ATOM 0 HA PHE A 36 78.648 2.452 6.281 1.00 0.00 H new ATOM 0 HB2 PHE A 36 75.764 2.021 5.369 1.00 0.00 H new ATOM 0 HB3 PHE A 36 76.567 3.555 5.637 1.00 0.00 H new ATOM 0 HD1 PHE A 36 76.519 0.524 3.470 1.00 0.00 H new ATOM 0 HD2 PHE A 36 78.020 4.520 3.963 1.00 0.00 H new ATOM 0 HE1 PHE A 36 77.335 0.507 1.128 1.00 0.00 H new ATOM 0 HE2 PHE A 36 78.832 4.502 1.622 1.00 0.00 H new ATOM 0 HZ PHE A 36 78.495 2.496 0.206 1.00 0.00 H new ATOM 559 N GLY A 37 78.040 1.733 8.620 1.00 0.00 N ATOM 560 CA GLY A 37 77.587 1.595 10.004 1.00 0.00 C ATOM 561 C GLY A 37 78.576 0.812 10.868 1.00 0.00 C ATOM 562 O GLY A 37 78.631 1.007 12.083 1.00 0.00 O ATOM 0 H GLY A 37 79.042 1.890 8.512 1.00 0.00 H new ATOM 0 HA2 GLY A 37 77.438 2.585 10.435 1.00 0.00 H new ATOM 0 HA3 GLY A 37 76.620 1.092 10.018 1.00 0.00 H new ATOM 566 N ARG A 38 79.342 -0.085 10.254 1.00 0.00 N ATOM 567 CA ARG A 38 80.304 -0.893 11.010 1.00 0.00 C ATOM 568 C ARG A 38 81.635 -0.159 11.183 1.00 0.00 C ATOM 569 O ARG A 38 81.977 0.726 10.398 1.00 0.00 O ATOM 570 CB ARG A 38 80.549 -2.231 10.293 1.00 0.00 C ATOM 571 CG ARG A 38 79.689 -3.341 10.917 1.00 0.00 C ATOM 572 CD ARG A 38 80.173 -4.710 10.425 1.00 0.00 C ATOM 573 NE ARG A 38 79.568 -5.031 9.136 1.00 0.00 N ATOM 574 CZ ARG A 38 80.124 -5.917 8.312 1.00 0.00 C ATOM 575 NH1 ARG A 38 81.240 -6.512 8.638 1.00 0.00 N ATOM 576 NH2 ARG A 38 79.549 -6.196 7.175 1.00 0.00 N1+ ATOM 0 H ARG A 38 79.320 -0.272 9.252 1.00 0.00 H new ATOM 0 HA ARG A 38 79.880 -1.076 11.997 1.00 0.00 H new ATOM 0 HB2 ARG A 38 80.312 -2.131 9.234 1.00 0.00 H new ATOM 0 HB3 ARG A 38 81.603 -2.499 10.360 1.00 0.00 H new ATOM 0 HG2 ARG A 38 79.749 -3.293 12.004 1.00 0.00 H new ATOM 0 HG3 ARG A 38 78.642 -3.197 10.649 1.00 0.00 H new ATOM 0 HD2 ARG A 38 81.259 -4.707 10.333 1.00 0.00 H new ATOM 0 HD3 ARG A 38 79.917 -5.477 11.155 1.00 0.00 H new ATOM 0 HE ARG A 38 78.702 -4.567 8.861 1.00 0.00 H new ATOM 0 HH11 ARG A 38 81.690 -6.299 9.528 1.00 0.00 H new ATOM 0 HH12 ARG A 38 81.661 -7.190 8.003 1.00 0.00 H new ATOM 0 HH21 ARG A 38 78.675 -5.736 6.919 1.00 0.00 H new ATOM 0 HH22 ARG A 38 79.973 -6.874 6.542 1.00 0.00 H new ATOM 590 N LYS A 39 82.381 -0.545 12.220 1.00 0.00 N ATOM 591 CA LYS A 39 83.678 0.068 12.502 1.00 0.00 C ATOM 592 C LYS A 39 84.753 -0.498 11.575 1.00 0.00 C ATOM 593 O LYS A 39 84.534 -1.503 10.901 1.00 0.00 O ATOM 594 CB LYS A 39 84.070 -0.191 13.964 1.00 0.00 C ATOM 595 CG LYS A 39 83.490 0.908 14.867 1.00 0.00 C ATOM 596 CD LYS A 39 84.453 2.100 14.923 1.00 0.00 C ATOM 597 CE LYS A 39 83.942 3.121 15.942 1.00 0.00 C ATOM 598 NZ LYS A 39 82.453 3.173 15.891 1.00 0.00 N1+ ATOM 0 H LYS A 39 82.109 -1.277 12.876 1.00 0.00 H new ATOM 0 HA LYS A 39 83.598 1.142 12.331 1.00 0.00 H new ATOM 0 HB2 LYS A 39 83.700 -1.166 14.281 1.00 0.00 H new ATOM 0 HB3 LYS A 39 85.156 -0.216 14.059 1.00 0.00 H new ATOM 0 HG2 LYS A 39 82.521 1.230 14.486 1.00 0.00 H new ATOM 0 HG3 LYS A 39 83.324 0.516 15.870 1.00 0.00 H new ATOM 0 HD2 LYS A 39 85.451 1.762 15.200 1.00 0.00 H new ATOM 0 HD3 LYS A 39 84.535 2.562 13.939 1.00 0.00 H new ATOM 0 HE2 LYS A 39 84.273 2.847 16.944 1.00 0.00 H new ATOM 0 HE3 LYS A 39 84.358 4.105 15.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 82.117 4.008 16.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 82.142 3.235 14.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 82.061 2.313 16.325 1.00 0.00 H new ATOM 612 N THR A 40 85.912 0.158 11.544 1.00 0.00 N ATOM 613 CA THR A 40 87.010 -0.289 10.692 1.00 0.00 C ATOM 614 C THR A 40 87.536 -1.648 11.137 1.00 0.00 C ATOM 615 O THR A 40 87.565 -1.956 12.329 1.00 0.00 O ATOM 616 CB THR A 40 88.148 0.735 10.716 1.00 0.00 C ATOM 617 OG1 THR A 40 88.426 1.105 12.058 1.00 0.00 O ATOM 618 CG2 THR A 40 87.738 1.974 9.920 1.00 0.00 C ATOM 0 H THR A 40 86.113 0.993 12.094 1.00 0.00 H new ATOM 0 HA THR A 40 86.627 -0.384 9.676 1.00 0.00 H new ATOM 0 HB THR A 40 89.040 0.295 10.269 1.00 0.00 H new ATOM 0 HG1 THR A 40 89.079 0.482 12.441 1.00 0.00 H new ATOM 0 HG21 THR A 40 88.549 2.702 9.938 1.00 0.00 H new ATOM 0 HG22 THR A 40 87.527 1.691 8.889 1.00 0.00 H new ATOM 0 HG23 THR A 40 86.845 2.414 10.365 1.00 0.00 H new ATOM 626 N GLY A 41 87.958 -2.453 10.166 1.00 0.00 N ATOM 627 CA GLY A 41 88.492 -3.778 10.457 1.00 0.00 C ATOM 628 C GLY A 41 87.623 -4.513 11.465 1.00 0.00 C ATOM 629 O GLY A 41 88.118 -5.028 12.468 1.00 0.00 O ATOM 0 H GLY A 41 87.940 -2.212 9.175 1.00 0.00 H new ATOM 0 HA2 GLY A 41 88.555 -4.358 9.536 1.00 0.00 H new ATOM 0 HA3 GLY A 41 89.506 -3.687 10.846 1.00 0.00 H new ATOM 633 N GLN A 42 86.324 -4.555 11.195 1.00 0.00 N ATOM 634 CA GLN A 42 85.386 -5.227 12.090 1.00 0.00 C ATOM 635 C GLN A 42 84.754 -6.435 11.403 1.00 0.00 C ATOM 636 O GLN A 42 84.059 -7.225 12.039 1.00 0.00 O ATOM 637 CB GLN A 42 84.290 -4.246 12.527 1.00 0.00 C ATOM 638 CG GLN A 42 83.607 -4.741 13.815 1.00 0.00 C ATOM 639 CD GLN A 42 82.309 -5.471 13.481 1.00 0.00 C ATOM 640 OE1 GLN A 42 81.238 -4.781 13.202 1.00 0.00 O flip ATOM 641 NE2 GLN A 42 82.270 -6.702 13.478 1.00 0.00 N flip ATOM 0 H GLN A 42 85.897 -4.135 10.369 1.00 0.00 H new ATOM 0 HA GLN A 42 85.933 -5.574 12.966 1.00 0.00 H new ATOM 0 HB2 GLN A 42 84.722 -3.259 12.693 1.00 0.00 H new ATOM 0 HB3 GLN A 42 83.550 -4.140 11.733 1.00 0.00 H new ATOM 0 HG2 GLN A 42 84.278 -5.408 14.357 1.00 0.00 H new ATOM 0 HG3 GLN A 42 83.398 -3.896 14.471 1.00 0.00 H new ATOM 0 HE21 GLN A 42 83.109 -7.239 13.697 1.00 0.00 H new ATOM 0 HE22 GLN A 42 81.399 -7.184 13.257 1.00 0.00 H new ATOM 701 N THR A 47 92.160 -11.295 7.198 1.00 0.00 N ATOM 702 CA THR A 47 93.079 -10.829 8.230 1.00 0.00 C ATOM 703 C THR A 47 93.248 -9.315 8.152 1.00 0.00 C ATOM 704 O THR A 47 94.215 -8.817 7.574 1.00 0.00 O ATOM 705 CB THR A 47 94.442 -11.507 8.069 1.00 0.00 C ATOM 706 OG1 THR A 47 95.453 -10.664 8.606 1.00 0.00 O ATOM 707 CG2 THR A 47 94.719 -11.760 6.589 1.00 0.00 C ATOM 0 HA THR A 47 92.661 -11.088 9.203 1.00 0.00 H new ATOM 0 HB THR A 47 94.440 -12.458 8.601 1.00 0.00 H new ATOM 0 HG1 THR A 47 95.580 -9.891 8.018 1.00 0.00 H new ATOM 0 HG21 THR A 47 95.690 -12.243 6.478 1.00 0.00 H new ATOM 0 HG22 THR A 47 93.943 -12.407 6.179 1.00 0.00 H new ATOM 0 HG23 THR A 47 94.722 -10.811 6.052 1.00 0.00 H new ATOM 715 N TYR A 48 92.302 -8.589 8.736 1.00 0.00 N ATOM 716 CA TYR A 48 92.353 -7.132 8.727 1.00 0.00 C ATOM 717 C TYR A 48 93.640 -6.635 9.376 1.00 0.00 C ATOM 718 O TYR A 48 94.208 -7.300 10.242 1.00 0.00 O ATOM 719 CB TYR A 48 91.145 -6.562 9.480 1.00 0.00 C ATOM 720 CG TYR A 48 89.994 -6.366 8.525 1.00 0.00 C ATOM 721 CD1 TYR A 48 89.930 -5.208 7.744 1.00 0.00 C ATOM 722 CD2 TYR A 48 88.989 -7.335 8.426 1.00 0.00 C ATOM 723 CE1 TYR A 48 88.863 -5.015 6.865 1.00 0.00 C ATOM 724 CE2 TYR A 48 87.920 -7.144 7.544 1.00 0.00 C ATOM 725 CZ TYR A 48 87.856 -5.981 6.764 1.00 0.00 C ATOM 726 OH TYR A 48 86.802 -5.783 5.899 1.00 0.00 O ATOM 0 H TYR A 48 91.495 -8.983 9.219 1.00 0.00 H new ATOM 0 HA TYR A 48 92.329 -6.793 7.691 1.00 0.00 H new ATOM 0 HB2 TYR A 48 90.852 -7.239 10.282 1.00 0.00 H new ATOM 0 HB3 TYR A 48 91.410 -5.612 9.945 1.00 0.00 H new ATOM 0 HD1 TYR A 48 90.707 -4.462 7.821 1.00 0.00 H new ATOM 0 HD2 TYR A 48 89.039 -8.229 9.030 1.00 0.00 H new ATOM 0 HE1 TYR A 48 88.815 -4.120 6.263 1.00 0.00 H new ATOM 0 HE2 TYR A 48 87.145 -7.892 7.464 1.00 0.00 H new ATOM 0 HH TYR A 48 87.023 -5.061 5.274 1.00 0.00 H new ATOM 736 N THR A 49 94.090 -5.460 8.951 1.00 0.00 N ATOM 737 CA THR A 49 95.311 -4.876 9.498 1.00 0.00 C ATOM 738 C THR A 49 95.023 -4.192 10.833 1.00 0.00 C ATOM 739 O THR A 49 93.886 -3.816 11.115 1.00 0.00 O ATOM 740 CB THR A 49 95.888 -3.859 8.512 1.00 0.00 C ATOM 741 OG1 THR A 49 94.938 -2.825 8.291 1.00 0.00 O ATOM 742 CG2 THR A 49 96.206 -4.554 7.184 1.00 0.00 C ATOM 0 H THR A 49 93.633 -4.896 8.235 1.00 0.00 H new ATOM 0 HA THR A 49 96.036 -5.674 9.661 1.00 0.00 H new ATOM 0 HB THR A 49 96.802 -3.432 8.924 1.00 0.00 H new ATOM 0 HG1 THR A 49 95.399 -1.961 8.249 1.00 0.00 H new ATOM 0 HG21 THR A 49 96.617 -3.828 6.483 1.00 0.00 H new ATOM 0 HG22 THR A 49 96.934 -5.347 7.354 1.00 0.00 H new ATOM 0 HG23 THR A 49 95.293 -4.982 6.770 1.00 0.00 H new ATOM 750 N ASP A 50 96.060 -4.038 11.652 1.00 0.00 N ATOM 751 CA ASP A 50 95.903 -3.401 12.956 1.00 0.00 C ATOM 752 C ASP A 50 95.298 -2.008 12.808 1.00 0.00 C ATOM 753 O ASP A 50 94.394 -1.632 13.553 1.00 0.00 O ATOM 754 CB ASP A 50 97.260 -3.301 13.657 1.00 0.00 C ATOM 755 CG ASP A 50 97.123 -2.506 14.952 1.00 0.00 C ATOM 756 OD1 ASP A 50 96.000 -2.235 15.341 1.00 0.00 O ATOM 757 OD2 ASP A 50 98.145 -2.180 15.535 1.00 0.00 O1- ATOM 0 H ASP A 50 97.010 -4.343 11.439 1.00 0.00 H new ATOM 0 HA ASP A 50 95.229 -4.012 13.556 1.00 0.00 H new ATOM 0 HB2 ASP A 50 97.641 -4.299 13.872 1.00 0.00 H new ATOM 0 HB3 ASP A 50 97.983 -2.818 13.000 1.00 0.00 H new ATOM 762 N ALA A 51 95.800 -1.245 11.842 1.00 0.00 N ATOM 763 CA ALA A 51 95.295 0.104 11.610 1.00 0.00 C ATOM 764 C ALA A 51 93.786 0.081 11.398 1.00 0.00 C ATOM 765 O ALA A 51 93.073 0.972 11.856 1.00 0.00 O ATOM 766 CB ALA A 51 95.974 0.714 10.385 1.00 0.00 C ATOM 0 H ALA A 51 96.549 -1.534 11.213 1.00 0.00 H new ATOM 0 HA ALA A 51 95.519 0.710 12.488 1.00 0.00 H new ATOM 0 HB1 ALA A 51 95.590 1.721 10.220 1.00 0.00 H new ATOM 0 HB2 ALA A 51 97.051 0.758 10.550 1.00 0.00 H new ATOM 0 HB3 ALA A 51 95.766 0.099 9.510 1.00 0.00 H new ATOM 772 N ASN A 52 93.308 -0.944 10.704 1.00 0.00 N ATOM 773 CA ASN A 52 91.879 -1.077 10.439 1.00 0.00 C ATOM 774 C ASN A 52 91.172 -1.675 11.653 1.00 0.00 C ATOM 775 O ASN A 52 89.998 -1.403 11.899 1.00 0.00 O ATOM 776 CB ASN A 52 91.662 -1.975 9.212 1.00 0.00 C ATOM 777 CG ASN A 52 91.374 -1.130 7.976 1.00 0.00 C ATOM 778 OD1 ASN A 52 91.836 0.007 7.875 1.00 0.00 O ATOM 779 ND2 ASN A 52 90.632 -1.624 7.021 1.00 0.00 N ATOM 0 H ASN A 52 93.883 -1.692 10.316 1.00 0.00 H new ATOM 0 HA ASN A 52 91.461 -0.090 10.241 1.00 0.00 H new ATOM 0 HB2 ASN A 52 92.547 -2.589 9.042 1.00 0.00 H new ATOM 0 HB3 ASN A 52 90.832 -2.657 9.395 1.00 0.00 H new ATOM 0 HD21 ASN A 52 90.434 -1.068 6.189 1.00 0.00 H new ATOM 0 HD22 ASN A 52 90.251 -2.566 7.107 1.00 0.00 H new ATOM 786 N LYS A 53 91.902 -2.484 12.411 1.00 0.00 N ATOM 787 CA LYS A 53 91.349 -3.114 13.600 1.00 0.00 C ATOM 788 C LYS A 53 91.454 -2.149 14.774 1.00 0.00 C ATOM 789 O LYS A 53 90.889 -2.382 15.843 1.00 0.00 O ATOM 790 CB LYS A 53 92.112 -4.422 13.883 1.00 0.00 C ATOM 791 CG LYS A 53 92.336 -4.615 15.388 1.00 0.00 C ATOM 792 CD LYS A 53 93.020 -5.962 15.631 1.00 0.00 C ATOM 793 CE LYS A 53 92.897 -6.337 17.109 1.00 0.00 C ATOM 794 NZ LYS A 53 93.596 -7.631 17.352 1.00 0.00 N1+ ATOM 0 H LYS A 53 92.877 -2.718 12.223 1.00 0.00 H new ATOM 0 HA LYS A 53 90.297 -3.356 13.447 1.00 0.00 H new ATOM 0 HB2 LYS A 53 91.551 -5.267 13.484 1.00 0.00 H new ATOM 0 HB3 LYS A 53 93.073 -4.405 13.368 1.00 0.00 H new ATOM 0 HG2 LYS A 53 92.951 -3.806 15.782 1.00 0.00 H new ATOM 0 HG3 LYS A 53 91.383 -4.578 15.916 1.00 0.00 H new ATOM 0 HD2 LYS A 53 92.562 -6.732 15.010 1.00 0.00 H new ATOM 0 HD3 LYS A 53 94.070 -5.905 15.345 1.00 0.00 H new ATOM 0 HE2 LYS A 53 93.331 -5.554 17.731 1.00 0.00 H new ATOM 0 HE3 LYS A 53 91.847 -6.421 17.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 93.513 -7.887 18.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 93.163 -8.375 16.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 94.601 -7.535 17.101 1.00 0.00 H new ATOM 808 N ASN A 54 92.179 -1.060 14.557 1.00 0.00 N ATOM 809 CA ASN A 54 92.355 -0.056 15.592 1.00 0.00 C ATOM 810 C ASN A 54 91.021 0.597 15.918 1.00 0.00 C ATOM 811 O ASN A 54 90.850 1.205 16.975 1.00 0.00 O ATOM 812 CB ASN A 54 93.345 1.004 15.110 1.00 0.00 C ATOM 813 CG ASN A 54 92.626 2.101 14.326 1.00 0.00 C ATOM 814 OD1 ASN A 54 91.659 1.783 13.510 1.00 0.00 O flip ATOM 815 ND2 ASN A 54 92.955 3.279 14.464 1.00 0.00 N flip ATOM 0 H ASN A 54 92.652 -0.852 13.678 1.00 0.00 H new ATOM 0 HA ASN A 54 92.743 -0.534 16.492 1.00 0.00 H new ATOM 0 HB2 ASN A 54 93.862 1.441 15.965 1.00 0.00 H new ATOM 0 HB3 ASN A 54 94.105 0.540 14.481 1.00 0.00 H new ATOM 0 HD21 ASN A 54 93.711 3.526 15.102 1.00 0.00 H new ATOM 0 HD22 ASN A 54 92.471 4.008 13.940 1.00 0.00 H new ATOM 822 N LYS A 55 90.083 0.457 14.996 1.00 0.00 N ATOM 823 CA LYS A 55 88.752 1.028 15.179 1.00 0.00 C ATOM 824 C LYS A 55 88.845 2.525 15.454 1.00 0.00 C ATOM 825 O LYS A 55 88.484 2.990 16.536 1.00 0.00 O ATOM 826 CB LYS A 55 88.043 0.338 16.345 1.00 0.00 C ATOM 827 CG LYS A 55 87.745 -1.115 15.971 1.00 0.00 C ATOM 828 CD LYS A 55 87.279 -1.875 17.214 1.00 0.00 C ATOM 829 CE LYS A 55 87.130 -3.360 16.878 1.00 0.00 C ATOM 830 NZ LYS A 55 88.477 -3.956 16.652 1.00 0.00 N1+ ATOM 0 H LYS A 55 90.214 -0.043 14.117 1.00 0.00 H new ATOM 0 HA LYS A 55 88.182 0.872 14.263 1.00 0.00 H new ATOM 0 HB2 LYS A 55 88.668 0.374 17.238 1.00 0.00 H new ATOM 0 HB3 LYS A 55 87.117 0.861 16.583 1.00 0.00 H new ATOM 0 HG2 LYS A 55 86.977 -1.153 15.199 1.00 0.00 H new ATOM 0 HG3 LYS A 55 88.637 -1.586 15.557 1.00 0.00 H new ATOM 0 HD2 LYS A 55 87.997 -1.745 18.023 1.00 0.00 H new ATOM 0 HD3 LYS A 55 86.328 -1.473 17.564 1.00 0.00 H new ATOM 0 HE2 LYS A 55 86.623 -3.879 17.692 1.00 0.00 H new ATOM 0 HE3 LYS A 55 86.513 -3.482 15.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 88.497 -4.427 15.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 89.197 -3.206 16.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 88.678 -4.652 17.398 1.00 0.00 H new ATOM 844 N GLY A 56 89.337 3.275 14.473 1.00 0.00 N ATOM 845 CA GLY A 56 89.480 4.719 14.626 1.00 0.00 C ATOM 846 C GLY A 56 88.219 5.451 14.180 1.00 0.00 C ATOM 847 O GLY A 56 87.816 6.440 14.795 1.00 0.00 O ATOM 0 H GLY A 56 89.641 2.911 13.570 1.00 0.00 H new ATOM 0 HA2 GLY A 56 89.692 4.957 15.668 1.00 0.00 H new ATOM 0 HA3 GLY A 56 90.331 5.066 14.040 1.00 0.00 H new ATOM 851 N ILE A 57 87.599 4.965 13.108 1.00 0.00 N ATOM 852 CA ILE A 57 86.383 5.590 12.592 1.00 0.00 C ATOM 853 C ILE A 57 85.408 4.531 12.091 1.00 0.00 C ATOM 854 O ILE A 57 85.712 3.338 12.102 1.00 0.00 O ATOM 855 CB ILE A 57 86.734 6.559 11.461 1.00 0.00 C ATOM 856 CG1 ILE A 57 87.215 5.772 10.229 1.00 0.00 C ATOM 857 CG2 ILE A 57 87.849 7.497 11.930 1.00 0.00 C ATOM 858 CD1 ILE A 57 86.021 5.306 9.384 1.00 0.00 C ATOM 0 H ILE A 57 87.914 4.149 12.584 1.00 0.00 H new ATOM 0 HA ILE A 57 85.906 6.144 13.401 1.00 0.00 H new ATOM 0 HB ILE A 57 85.850 7.138 11.194 1.00 0.00 H new ATOM 0 HG12 ILE A 57 87.872 6.398 9.625 1.00 0.00 H new ATOM 0 HG13 ILE A 57 87.800 4.909 10.548 1.00 0.00 H new ATOM 0 HG21 ILE A 57 88.103 8.190 11.128 1.00 0.00 H new ATOM 0 HG22 ILE A 57 87.510 8.059 12.801 1.00 0.00 H new ATOM 0 HG23 ILE A 57 88.729 6.912 12.196 1.00 0.00 H new ATOM 0 HD11 ILE A 57 86.382 4.752 8.518 1.00 0.00 H new ATOM 0 HD12 ILE A 57 85.379 4.662 9.985 1.00 0.00 H new ATOM 0 HD13 ILE A 57 85.452 6.173 9.048 1.00 0.00 H new ATOM 870 N THR A 58 84.230 4.976 11.658 1.00 0.00 N ATOM 871 CA THR A 58 83.205 4.060 11.163 1.00 0.00 C ATOM 872 C THR A 58 82.921 4.301 9.687 1.00 0.00 C ATOM 873 O THR A 58 82.868 5.443 9.233 1.00 0.00 O ATOM 874 CB THR A 58 81.913 4.256 11.964 1.00 0.00 C ATOM 875 OG1 THR A 58 82.172 4.019 13.341 1.00 0.00 O ATOM 876 CG2 THR A 58 80.838 3.282 11.472 1.00 0.00 C ATOM 0 H THR A 58 83.963 5.960 11.640 1.00 0.00 H new ATOM 0 HA THR A 58 83.571 3.040 11.284 1.00 0.00 H new ATOM 0 HB THR A 58 81.558 5.277 11.827 1.00 0.00 H new ATOM 0 HG1 THR A 58 82.125 4.865 13.833 1.00 0.00 H new ATOM 0 HG21 THR A 58 79.924 3.429 12.047 1.00 0.00 H new ATOM 0 HG22 THR A 58 80.636 3.465 10.417 1.00 0.00 H new ATOM 0 HG23 THR A 58 81.188 2.258 11.602 1.00 0.00 H new ATOM 884 N TRP A 59 82.717 3.215 8.945 1.00 0.00 N ATOM 885 CA TRP A 59 82.414 3.329 7.527 1.00 0.00 C ATOM 886 C TRP A 59 81.085 4.053 7.345 1.00 0.00 C ATOM 887 O TRP A 59 80.120 3.784 8.061 1.00 0.00 O ATOM 888 CB TRP A 59 82.320 1.947 6.874 1.00 0.00 C ATOM 889 CG TRP A 59 83.459 1.079 7.312 1.00 0.00 C ATOM 890 CD1 TRP A 59 84.744 1.480 7.431 1.00 0.00 C ATOM 891 CD2 TRP A 59 83.437 -0.332 7.684 1.00 0.00 C ATOM 892 NE1 TRP A 59 85.513 0.402 7.839 1.00 0.00 N ATOM 893 CE2 TRP A 59 84.749 -0.733 8.018 1.00 0.00 C ATOM 894 CE3 TRP A 59 82.415 -1.293 7.762 1.00 0.00 C ATOM 895 CZ2 TRP A 59 85.036 -2.040 8.417 1.00 0.00 C ATOM 896 CZ3 TRP A 59 82.700 -2.609 8.161 1.00 0.00 C ATOM 897 CH2 TRP A 59 84.008 -2.980 8.489 1.00 0.00 C ATOM 0 H TRP A 59 82.756 2.259 9.299 1.00 0.00 H new ATOM 0 HA TRP A 59 83.218 3.890 7.051 1.00 0.00 H new ATOM 0 HB2 TRP A 59 81.374 1.476 7.141 1.00 0.00 H new ATOM 0 HB3 TRP A 59 82.330 2.050 5.789 1.00 0.00 H new ATOM 0 HD1 TRP A 59 85.111 2.477 7.239 1.00 0.00 H new ATOM 0 HE1 TRP A 59 86.521 0.443 7.989 1.00 0.00 H new ATOM 0 HE3 TRP A 59 81.401 -1.017 7.513 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 86.048 -2.321 8.668 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 81.905 -3.338 8.215 1.00 0.00 H new ATOM 0 HH2 TRP A 59 84.222 -3.993 8.798 1.00 0.00 H new ATOM 908 N LYS A 60 81.040 4.968 6.390 1.00 0.00 N ATOM 909 CA LYS A 60 79.824 5.726 6.124 1.00 0.00 C ATOM 910 C LYS A 60 79.839 6.235 4.690 1.00 0.00 C ATOM 911 O LYS A 60 80.632 5.772 3.875 1.00 0.00 O ATOM 912 CB LYS A 60 79.716 6.905 7.097 1.00 0.00 C ATOM 913 CG LYS A 60 79.474 6.379 8.515 1.00 0.00 C ATOM 914 CD LYS A 60 79.003 7.520 9.421 1.00 0.00 C ATOM 915 CE LYS A 60 80.194 8.408 9.784 1.00 0.00 C ATOM 916 NZ LYS A 60 79.763 9.440 10.768 1.00 0.00 N1+ ATOM 0 H LYS A 60 81.828 5.205 5.787 1.00 0.00 H new ATOM 0 HA LYS A 60 78.961 5.075 6.263 1.00 0.00 H new ATOM 0 HB2 LYS A 60 80.630 7.498 7.069 1.00 0.00 H new ATOM 0 HB3 LYS A 60 78.900 7.563 6.798 1.00 0.00 H new ATOM 0 HG2 LYS A 60 78.726 5.586 8.495 1.00 0.00 H new ATOM 0 HG3 LYS A 60 80.391 5.943 8.912 1.00 0.00 H new ATOM 0 HD2 LYS A 60 78.238 8.109 8.915 1.00 0.00 H new ATOM 0 HD3 LYS A 60 78.548 7.116 10.325 1.00 0.00 H new ATOM 0 HE2 LYS A 60 80.998 7.803 10.204 1.00 0.00 H new ATOM 0 HE3 LYS A 60 80.590 8.887 8.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 80.573 10.044 11.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 79.010 10.024 10.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 79.405 8.974 11.626 1.00 0.00 H new ATOM 930 N GLU A 61 78.962 7.182 4.380 1.00 0.00 N ATOM 931 CA GLU A 61 78.901 7.728 3.031 1.00 0.00 C ATOM 932 C GLU A 61 80.084 8.654 2.767 1.00 0.00 C ATOM 933 O GLU A 61 80.864 8.433 1.840 1.00 0.00 O ATOM 934 CB GLU A 61 77.592 8.499 2.843 1.00 0.00 C ATOM 935 CG GLU A 61 77.555 9.112 1.443 1.00 0.00 C ATOM 936 CD GLU A 61 76.146 9.606 1.129 1.00 0.00 C ATOM 937 OE1 GLU A 61 75.844 10.735 1.481 1.00 0.00 O ATOM 938 OE2 GLU A 61 75.390 8.848 0.545 1.00 0.00 O1- ATOM 0 H GLU A 61 78.291 7.583 5.035 1.00 0.00 H new ATOM 0 HA GLU A 61 78.943 6.901 2.323 1.00 0.00 H new ATOM 0 HB2 GLU A 61 76.742 7.831 2.981 1.00 0.00 H new ATOM 0 HB3 GLU A 61 77.508 9.282 3.596 1.00 0.00 H new ATOM 0 HG2 GLU A 61 78.262 9.939 1.380 1.00 0.00 H new ATOM 0 HG3 GLU A 61 77.863 8.372 0.704 1.00 0.00 H new ATOM 945 N GLU A 62 80.215 9.693 3.588 1.00 0.00 N ATOM 946 CA GLU A 62 81.307 10.646 3.423 1.00 0.00 C ATOM 947 C GLU A 62 82.645 10.012 3.785 1.00 0.00 C ATOM 948 O GLU A 62 83.648 10.233 3.109 1.00 0.00 O ATOM 949 CB GLU A 62 81.067 11.874 4.304 1.00 0.00 C ATOM 950 CG GLU A 62 79.661 12.420 4.047 1.00 0.00 C ATOM 951 CD GLU A 62 79.486 13.763 4.748 1.00 0.00 C ATOM 952 OE1 GLU A 62 79.946 14.756 4.207 1.00 0.00 O1- ATOM 953 OE2 GLU A 62 78.896 13.780 5.816 1.00 0.00 O ATOM 0 H GLU A 62 79.586 9.895 4.365 1.00 0.00 H new ATOM 0 HA GLU A 62 81.338 10.948 2.376 1.00 0.00 H new ATOM 0 HB2 GLU A 62 81.179 11.608 5.355 1.00 0.00 H new ATOM 0 HB3 GLU A 62 81.811 12.641 4.088 1.00 0.00 H new ATOM 0 HG2 GLU A 62 79.497 12.536 2.976 1.00 0.00 H new ATOM 0 HG3 GLU A 62 78.915 11.712 4.409 1.00 0.00 H new ATOM 960 N THR A 63 82.656 9.221 4.849 1.00 0.00 N ATOM 961 CA THR A 63 83.885 8.564 5.274 1.00 0.00 C ATOM 962 C THR A 63 84.434 7.717 4.138 1.00 0.00 C ATOM 963 O THR A 63 85.647 7.626 3.944 1.00 0.00 O ATOM 964 CB THR A 63 83.621 7.677 6.490 1.00 0.00 C ATOM 965 OG1 THR A 63 82.708 6.650 6.135 1.00 0.00 O ATOM 966 CG2 THR A 63 83.033 8.518 7.619 1.00 0.00 C ATOM 0 H THR A 63 81.840 9.020 5.427 1.00 0.00 H new ATOM 0 HA THR A 63 84.614 9.328 5.545 1.00 0.00 H new ATOM 0 HB THR A 63 84.557 7.231 6.825 1.00 0.00 H new ATOM 0 HG1 THR A 63 83.186 5.936 5.663 1.00 0.00 H new ATOM 0 HG21 THR A 63 82.845 7.884 8.485 1.00 0.00 H new ATOM 0 HG22 THR A 63 83.737 9.305 7.891 1.00 0.00 H new ATOM 0 HG23 THR A 63 82.096 8.967 7.288 1.00 0.00 H new ATOM 974 N LEU A 64 83.531 7.104 3.383 1.00 0.00 N ATOM 975 CA LEU A 64 83.940 6.272 2.263 1.00 0.00 C ATOM 976 C LEU A 64 84.568 7.137 1.174 1.00 0.00 C ATOM 977 O LEU A 64 85.516 6.720 0.515 1.00 0.00 O ATOM 978 CB LEU A 64 82.738 5.500 1.694 1.00 0.00 C ATOM 979 CG LEU A 64 82.802 4.024 2.121 1.00 0.00 C ATOM 980 CD1 LEU A 64 81.537 3.296 1.643 1.00 0.00 C ATOM 981 CD2 LEU A 64 84.046 3.359 1.506 1.00 0.00 C ATOM 0 H LEU A 64 82.523 7.167 3.524 1.00 0.00 H new ATOM 0 HA LEU A 64 84.677 5.551 2.617 1.00 0.00 H new ATOM 0 HB2 LEU A 64 81.809 5.948 2.047 1.00 0.00 H new ATOM 0 HB3 LEU A 64 82.733 5.571 0.606 1.00 0.00 H new ATOM 0 HG LEU A 64 82.865 3.965 3.208 1.00 0.00 H new ATOM 0 HD11 LEU A 64 81.583 2.250 1.946 1.00 0.00 H new ATOM 0 HD12 LEU A 64 80.658 3.764 2.087 1.00 0.00 H new ATOM 0 HD13 LEU A 64 81.471 3.357 0.557 1.00 0.00 H new ATOM 0 HD21 LEU A 64 84.088 2.313 1.811 1.00 0.00 H new ATOM 0 HD22 LEU A 64 83.990 3.418 0.419 1.00 0.00 H new ATOM 0 HD23 LEU A 64 84.942 3.874 1.852 1.00 0.00 H new ATOM 993 N MET A 65 84.035 8.344 0.987 1.00 0.00 N ATOM 994 CA MET A 65 84.569 9.244 -0.034 1.00 0.00 C ATOM 995 C MET A 65 86.054 9.497 0.191 1.00 0.00 C ATOM 996 O MET A 65 86.876 9.248 -0.691 1.00 0.00 O ATOM 997 CB MET A 65 83.822 10.579 -0.011 1.00 0.00 C ATOM 998 CG MET A 65 82.351 10.344 -0.336 1.00 0.00 C ATOM 999 SD MET A 65 81.422 11.874 -0.062 1.00 0.00 S ATOM 1000 CE MET A 65 80.946 12.159 -1.782 1.00 0.00 C ATOM 0 H MET A 65 83.248 8.716 1.519 1.00 0.00 H new ATOM 0 HA MET A 65 84.432 8.767 -1.005 1.00 0.00 H new ATOM 0 HB2 MET A 65 83.919 11.045 0.969 1.00 0.00 H new ATOM 0 HB3 MET A 65 84.260 11.266 -0.735 1.00 0.00 H new ATOM 0 HG2 MET A 65 82.243 10.021 -1.371 1.00 0.00 H new ATOM 0 HG3 MET A 65 81.952 9.546 0.290 1.00 0.00 H new ATOM 0 HE1 MET A 65 80.353 13.071 -1.849 1.00 0.00 H new ATOM 0 HE2 MET A 65 81.841 12.263 -2.395 1.00 0.00 H new ATOM 0 HE3 MET A 65 80.356 11.315 -2.141 1.00 0.00 H new ATOM 1010 N GLU A 66 86.395 9.989 1.377 1.00 0.00 N ATOM 1011 CA GLU A 66 87.789 10.266 1.700 1.00 0.00 C ATOM 1012 C GLU A 66 88.614 8.990 1.588 1.00 0.00 C ATOM 1013 O GLU A 66 89.805 9.030 1.280 1.00 0.00 O ATOM 1014 CB GLU A 66 87.898 10.828 3.117 1.00 0.00 C ATOM 1015 CG GLU A 66 87.332 12.250 3.147 1.00 0.00 C ATOM 1016 CD GLU A 66 88.294 13.207 2.451 1.00 0.00 C ATOM 1017 OE1 GLU A 66 89.348 12.757 2.034 1.00 0.00 O1- ATOM 1018 OE2 GLU A 66 87.961 14.377 2.346 1.00 0.00 O ATOM 0 H GLU A 66 85.733 10.202 2.123 1.00 0.00 H new ATOM 0 HA GLU A 66 88.173 11.003 0.994 1.00 0.00 H new ATOM 0 HB2 GLU A 66 87.352 10.193 3.815 1.00 0.00 H new ATOM 0 HB3 GLU A 66 88.939 10.833 3.439 1.00 0.00 H new ATOM 0 HG2 GLU A 66 86.361 12.274 2.653 1.00 0.00 H new ATOM 0 HG3 GLU A 66 87.174 12.566 4.178 1.00 0.00 H new ATOM 1025 N TYR A 67 87.969 7.859 1.839 1.00 0.00 N ATOM 1026 CA TYR A 67 88.642 6.569 1.762 1.00 0.00 C ATOM 1027 C TYR A 67 88.794 6.133 0.309 1.00 0.00 C ATOM 1028 O TYR A 67 89.729 5.414 -0.043 1.00 0.00 O ATOM 1029 CB TYR A 67 87.832 5.525 2.533 1.00 0.00 C ATOM 1030 CG TYR A 67 88.450 4.156 2.368 1.00 0.00 C ATOM 1031 CD1 TYR A 67 89.480 3.744 3.221 1.00 0.00 C ATOM 1032 CD2 TYR A 67 87.982 3.295 1.368 1.00 0.00 C ATOM 1033 CE1 TYR A 67 90.044 2.471 3.074 1.00 0.00 C ATOM 1034 CE2 TYR A 67 88.546 2.022 1.220 1.00 0.00 C ATOM 1035 CZ TYR A 67 89.577 1.610 2.073 1.00 0.00 C ATOM 1036 OH TYR A 67 90.133 0.355 1.929 1.00 0.00 O ATOM 0 H TYR A 67 86.983 7.808 2.097 1.00 0.00 H new ATOM 0 HA TYR A 67 89.634 6.661 2.203 1.00 0.00 H new ATOM 0 HB2 TYR A 67 87.796 5.790 3.590 1.00 0.00 H new ATOM 0 HB3 TYR A 67 86.804 5.513 2.172 1.00 0.00 H new ATOM 0 HD1 TYR A 67 89.840 4.408 3.993 1.00 0.00 H new ATOM 0 HD2 TYR A 67 87.186 3.613 0.711 1.00 0.00 H new ATOM 0 HE1 TYR A 67 90.839 2.153 3.732 1.00 0.00 H new ATOM 0 HE2 TYR A 67 88.186 1.358 0.448 1.00 0.00 H new ATOM 0 HH TYR A 67 90.145 0.110 0.980 1.00 0.00 H new ATOM 1046 N LEU A 68 87.859 6.568 -0.529 1.00 0.00 N ATOM 1047 CA LEU A 68 87.880 6.212 -1.944 1.00 0.00 C ATOM 1048 C LEU A 68 88.894 7.058 -2.713 1.00 0.00 C ATOM 1049 O LEU A 68 89.371 6.652 -3.772 1.00 0.00 O ATOM 1050 CB LEU A 68 86.485 6.412 -2.551 1.00 0.00 C ATOM 1051 CG LEU A 68 85.576 5.222 -2.214 1.00 0.00 C ATOM 1052 CD1 LEU A 68 84.193 5.446 -2.824 1.00 0.00 C ATOM 1053 CD2 LEU A 68 86.153 3.928 -2.787 1.00 0.00 C ATOM 0 H LEU A 68 87.079 7.166 -0.255 1.00 0.00 H new ATOM 0 HA LEU A 68 88.173 5.165 -2.024 1.00 0.00 H new ATOM 0 HB2 LEU A 68 86.045 7.333 -2.169 1.00 0.00 H new ATOM 0 HB3 LEU A 68 86.565 6.521 -3.633 1.00 0.00 H new ATOM 0 HG LEU A 68 85.505 5.140 -1.129 1.00 0.00 H new ATOM 0 HD11 LEU A 68 83.548 4.600 -2.584 1.00 0.00 H new ATOM 0 HD12 LEU A 68 83.760 6.360 -2.417 1.00 0.00 H new ATOM 0 HD13 LEU A 68 84.283 5.538 -3.906 1.00 0.00 H new ATOM 0 HD21 LEU A 68 85.495 3.095 -2.538 1.00 0.00 H new ATOM 0 HD22 LEU A 68 86.235 4.015 -3.870 1.00 0.00 H new ATOM 0 HD23 LEU A 68 87.141 3.750 -2.361 1.00 0.00 H new ATOM 1065 N GLU A 69 89.216 8.234 -2.184 1.00 0.00 N ATOM 1066 CA GLU A 69 90.171 9.119 -2.846 1.00 0.00 C ATOM 1067 C GLU A 69 91.584 8.853 -2.342 1.00 0.00 C ATOM 1068 O GLU A 69 92.560 9.366 -2.890 1.00 0.00 O ATOM 1069 CB GLU A 69 89.789 10.583 -2.594 1.00 0.00 C ATOM 1070 CG GLU A 69 90.414 11.073 -1.284 1.00 0.00 C ATOM 1071 CD GLU A 69 89.703 12.334 -0.804 1.00 0.00 C ATOM 1072 OE1 GLU A 69 88.504 12.429 -1.006 1.00 0.00 O1- ATOM 1073 OE2 GLU A 69 90.368 13.186 -0.238 1.00 0.00 O ATOM 0 H GLU A 69 88.835 8.594 -1.309 1.00 0.00 H new ATOM 0 HA GLU A 69 90.143 8.922 -3.918 1.00 0.00 H new ATOM 0 HB2 GLU A 69 90.130 11.204 -3.423 1.00 0.00 H new ATOM 0 HB3 GLU A 69 88.704 10.681 -2.547 1.00 0.00 H new ATOM 0 HG2 GLU A 69 90.343 10.294 -0.524 1.00 0.00 H new ATOM 0 HG3 GLU A 69 91.474 11.278 -1.432 1.00 0.00 H new ATOM 1080 N ASN A 70 91.681 8.048 -1.293 1.00 0.00 N ATOM 1081 CA ASN A 70 92.974 7.712 -0.706 1.00 0.00 C ATOM 1082 C ASN A 70 92.790 6.676 0.404 1.00 0.00 C ATOM 1083 O ASN A 70 92.938 6.978 1.588 1.00 0.00 O ATOM 1084 CB ASN A 70 93.638 8.978 -0.147 1.00 0.00 C ATOM 1085 CG ASN A 70 95.157 8.851 -0.217 1.00 0.00 C ATOM 1086 OD1 ASN A 70 95.731 7.746 0.172 1.00 0.00 O flip ATOM 1087 ND2 ASN A 70 95.839 9.786 -0.637 1.00 0.00 N flip ATOM 0 H ASN A 70 90.882 7.615 -0.830 1.00 0.00 H new ATOM 0 HA ASN A 70 93.617 7.288 -1.477 1.00 0.00 H new ATOM 0 HB2 ASN A 70 93.312 9.849 -0.715 1.00 0.00 H new ATOM 0 HB3 ASN A 70 93.326 9.135 0.885 1.00 0.00 H new ATOM 0 HD21 ASN A 70 95.389 10.649 -0.941 1.00 0.00 H new ATOM 0 HD22 ASN A 70 96.854 9.697 -0.681 1.00 0.00 H new ATOM 1094 N PRO A 71 92.454 5.473 0.029 1.00 0.00 N ATOM 1095 CA PRO A 71 92.217 4.351 0.987 1.00 0.00 C ATOM 1096 C PRO A 71 93.341 4.179 2.011 1.00 0.00 C ATOM 1097 O PRO A 71 93.092 3.817 3.160 1.00 0.00 O ATOM 1098 CB PRO A 71 92.122 3.118 0.081 1.00 0.00 C ATOM 1099 CG PRO A 71 91.691 3.636 -1.251 1.00 0.00 C ATOM 1100 CD PRO A 71 92.261 5.050 -1.368 1.00 0.00 C ATOM 0 HA PRO A 71 91.327 4.529 1.590 1.00 0.00 H new ATOM 0 HB2 PRO A 71 93.082 2.607 0.012 1.00 0.00 H new ATOM 0 HB3 PRO A 71 91.405 2.397 0.473 1.00 0.00 H new ATOM 0 HG2 PRO A 71 92.063 3.000 -2.054 1.00 0.00 H new ATOM 0 HG3 PRO A 71 90.604 3.647 -1.330 1.00 0.00 H new ATOM 0 HD2 PRO A 71 93.201 5.057 -1.921 1.00 0.00 H new ATOM 0 HD3 PRO A 71 91.576 5.714 -1.895 1.00 0.00 H new ATOM 1108 N LYS A 72 94.576 4.413 1.582 1.00 0.00 N ATOM 1109 CA LYS A 72 95.725 4.249 2.471 1.00 0.00 C ATOM 1110 C LYS A 72 95.898 5.446 3.403 1.00 0.00 C ATOM 1111 O LYS A 72 96.093 5.280 4.606 1.00 0.00 O ATOM 1112 CB LYS A 72 96.994 4.066 1.632 1.00 0.00 C ATOM 1113 CG LYS A 72 98.215 3.855 2.544 1.00 0.00 C ATOM 1114 CD LYS A 72 98.288 2.392 3.011 1.00 0.00 C ATOM 1115 CE LYS A 72 98.458 1.456 1.805 1.00 0.00 C ATOM 1116 NZ LYS A 72 99.387 0.349 2.168 1.00 0.00 N1+ ATOM 0 H LYS A 72 94.808 4.714 0.635 1.00 0.00 H new ATOM 0 HA LYS A 72 95.549 3.369 3.089 1.00 0.00 H new ATOM 0 HB2 LYS A 72 96.877 3.211 0.966 1.00 0.00 H new ATOM 0 HB3 LYS A 72 97.150 4.941 1.002 1.00 0.00 H new ATOM 0 HG2 LYS A 72 99.127 4.118 2.008 1.00 0.00 H new ATOM 0 HG3 LYS A 72 98.150 4.516 3.408 1.00 0.00 H new ATOM 0 HD2 LYS A 72 99.123 2.264 3.700 1.00 0.00 H new ATOM 0 HD3 LYS A 72 97.381 2.132 3.557 1.00 0.00 H new ATOM 0 HE2 LYS A 72 97.491 1.051 1.505 1.00 0.00 H new ATOM 0 HE3 LYS A 72 98.850 2.010 0.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 99.898 0.032 1.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 100.069 0.687 2.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 98.843 -0.445 2.562 1.00 0.00 H new ATOM 1130 N LYS A 73 95.849 6.648 2.845 1.00 0.00 N ATOM 1131 CA LYS A 73 96.030 7.850 3.651 1.00 0.00 C ATOM 1132 C LYS A 73 94.971 7.948 4.746 1.00 0.00 C ATOM 1133 O LYS A 73 95.243 8.454 5.835 1.00 0.00 O ATOM 1134 CB LYS A 73 95.975 9.098 2.765 1.00 0.00 C ATOM 1135 CG LYS A 73 96.375 10.342 3.578 1.00 0.00 C ATOM 1136 CD LYS A 73 95.121 11.113 4.002 1.00 0.00 C ATOM 1137 CE LYS A 73 95.530 12.348 4.807 1.00 0.00 C ATOM 1138 NZ LYS A 73 96.194 13.332 3.905 1.00 0.00 N1+ ATOM 0 H LYS A 73 95.688 6.817 1.852 1.00 0.00 H new ATOM 0 HA LYS A 73 97.009 7.787 4.126 1.00 0.00 H new ATOM 0 HB2 LYS A 73 96.646 8.979 1.914 1.00 0.00 H new ATOM 0 HB3 LYS A 73 94.970 9.224 2.363 1.00 0.00 H new ATOM 0 HG2 LYS A 73 96.944 10.044 4.458 1.00 0.00 H new ATOM 0 HG3 LYS A 73 97.023 10.984 2.981 1.00 0.00 H new ATOM 0 HD2 LYS A 73 94.550 11.411 3.123 1.00 0.00 H new ATOM 0 HD3 LYS A 73 94.473 10.473 4.601 1.00 0.00 H new ATOM 0 HE2 LYS A 73 94.653 12.799 5.272 1.00 0.00 H new ATOM 0 HE3 LYS A 73 96.207 12.063 5.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 96.213 14.265 4.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 97.168 13.022 3.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 95.666 13.396 3.012 1.00 0.00 H new ATOM 1152 N TYR A 74 93.765 7.468 4.459 1.00 0.00 N ATOM 1153 CA TYR A 74 92.686 7.521 5.442 1.00 0.00 C ATOM 1154 C TYR A 74 93.020 6.640 6.644 1.00 0.00 C ATOM 1155 O TYR A 74 93.070 7.114 7.779 1.00 0.00 O ATOM 1156 CB TYR A 74 91.369 7.063 4.800 1.00 0.00 C ATOM 1157 CG TYR A 74 90.206 7.807 5.421 1.00 0.00 C ATOM 1158 CD1 TYR A 74 90.118 9.199 5.291 1.00 0.00 C ATOM 1159 CD2 TYR A 74 89.219 7.107 6.125 1.00 0.00 C ATOM 1160 CE1 TYR A 74 89.043 9.890 5.865 1.00 0.00 C ATOM 1161 CE2 TYR A 74 88.145 7.798 6.700 1.00 0.00 C ATOM 1162 CZ TYR A 74 88.057 9.189 6.569 1.00 0.00 C ATOM 1163 OH TYR A 74 86.998 9.869 7.135 1.00 0.00 O ATOM 0 H TYR A 74 93.511 7.043 3.567 1.00 0.00 H new ATOM 0 HA TYR A 74 92.574 8.549 5.785 1.00 0.00 H new ATOM 0 HB2 TYR A 74 91.396 7.245 3.726 1.00 0.00 H new ATOM 0 HB3 TYR A 74 91.241 5.989 4.939 1.00 0.00 H new ATOM 0 HD1 TYR A 74 90.879 9.740 4.748 1.00 0.00 H new ATOM 0 HD2 TYR A 74 89.286 6.034 6.225 1.00 0.00 H new ATOM 0 HE1 TYR A 74 88.975 10.963 5.764 1.00 0.00 H new ATOM 0 HE2 TYR A 74 87.385 7.258 7.244 1.00 0.00 H new ATOM 0 HH TYR A 74 86.404 9.233 7.586 1.00 0.00 H new ATOM 1173 N ILE A 75 93.259 5.358 6.382 1.00 0.00 N ATOM 1174 CA ILE A 75 93.601 4.412 7.443 1.00 0.00 C ATOM 1175 C ILE A 75 94.856 3.634 7.055 1.00 0.00 C ATOM 1176 O ILE A 75 94.790 2.444 6.744 1.00 0.00 O ATOM 1177 CB ILE A 75 92.441 3.438 7.682 1.00 0.00 C ATOM 1178 CG1 ILE A 75 91.154 4.228 7.948 1.00 0.00 C ATOM 1179 CG2 ILE A 75 92.753 2.555 8.894 1.00 0.00 C ATOM 1180 CD1 ILE A 75 89.941 3.321 7.739 1.00 0.00 C ATOM 0 H ILE A 75 93.223 4.950 5.448 1.00 0.00 H new ATOM 0 HA ILE A 75 93.789 4.967 8.362 1.00 0.00 H new ATOM 0 HB ILE A 75 92.309 2.812 6.800 1.00 0.00 H new ATOM 0 HG12 ILE A 75 91.158 4.617 8.966 1.00 0.00 H new ATOM 0 HG13 ILE A 75 91.098 5.087 7.279 1.00 0.00 H new ATOM 0 HG21 ILE A 75 91.928 1.863 9.062 1.00 0.00 H new ATOM 0 HG22 ILE A 75 93.667 1.991 8.708 1.00 0.00 H new ATOM 0 HG23 ILE A 75 92.887 3.182 9.776 1.00 0.00 H new ATOM 0 HD11 ILE A 75 89.028 3.885 7.929 1.00 0.00 H new ATOM 0 HD12 ILE A 75 89.934 2.954 6.713 1.00 0.00 H new ATOM 0 HD13 ILE A 75 89.995 2.477 8.426 1.00 0.00 H new ATOM 1192 N PRO A 76 95.989 4.288 7.056 1.00 0.00 N ATOM 1193 CA PRO A 76 97.288 3.656 6.686 1.00 0.00 C ATOM 1194 C PRO A 76 97.425 2.246 7.250 1.00 0.00 C ATOM 1195 O PRO A 76 96.831 1.918 8.274 1.00 0.00 O ATOM 1196 CB PRO A 76 98.321 4.603 7.294 1.00 0.00 C ATOM 1197 CG PRO A 76 97.669 5.947 7.274 1.00 0.00 C ATOM 1198 CD PRO A 76 96.161 5.707 7.415 1.00 0.00 C ATOM 0 HA PRO A 76 97.399 3.530 5.609 1.00 0.00 H new ATOM 0 HB2 PRO A 76 98.581 4.305 8.310 1.00 0.00 H new ATOM 0 HB3 PRO A 76 99.245 4.604 6.716 1.00 0.00 H new ATOM 0 HG2 PRO A 76 98.040 6.569 8.089 1.00 0.00 H new ATOM 0 HG3 PRO A 76 97.892 6.472 6.345 1.00 0.00 H new ATOM 0 HD2 PRO A 76 95.819 5.906 8.431 1.00 0.00 H new ATOM 0 HD3 PRO A 76 95.590 6.358 6.753 1.00 0.00 H new ATOM 1206 N GLY A 77 98.208 1.417 6.569 1.00 0.00 N ATOM 1207 CA GLY A 77 98.412 0.041 7.007 1.00 0.00 C ATOM 1208 C GLY A 77 97.387 -0.885 6.362 1.00 0.00 C ATOM 1209 O GLY A 77 97.662 -2.061 6.128 1.00 0.00 O ATOM 0 H GLY A 77 98.709 1.671 5.717 1.00 0.00 H new ATOM 0 HA2 GLY A 77 99.419 -0.284 6.746 1.00 0.00 H new ATOM 0 HA3 GLY A 77 98.330 -0.017 8.092 1.00 0.00 H new ATOM 1213 N THR A 78 96.207 -0.344 6.072 1.00 0.00 N ATOM 1214 CA THR A 78 95.150 -1.132 5.449 1.00 0.00 C ATOM 1215 C THR A 78 95.653 -1.765 4.157 1.00 0.00 C ATOM 1216 O THR A 78 96.417 -1.151 3.412 1.00 0.00 O ATOM 1217 CB THR A 78 93.945 -0.241 5.148 1.00 0.00 C ATOM 1218 OG1 THR A 78 92.861 -1.045 4.704 1.00 0.00 O ATOM 1219 CG2 THR A 78 94.319 0.762 4.061 1.00 0.00 C ATOM 0 H THR A 78 95.961 0.628 6.257 1.00 0.00 H new ATOM 0 HA THR A 78 94.852 -1.922 6.138 1.00 0.00 H new ATOM 0 HB THR A 78 93.650 0.294 6.050 1.00 0.00 H new ATOM 0 HG1 THR A 78 92.088 -0.474 4.512 1.00 0.00 H new ATOM 0 HG21 THR A 78 93.462 1.399 3.844 1.00 0.00 H new ATOM 0 HG22 THR A 78 95.151 1.377 4.404 1.00 0.00 H new ATOM 0 HG23 THR A 78 94.612 0.227 3.158 1.00 0.00 H new ATOM 1227 N LYS A 79 95.227 -2.998 3.897 1.00 0.00 N ATOM 1228 CA LYS A 79 95.658 -3.698 2.688 1.00 0.00 C ATOM 1229 C LYS A 79 94.761 -3.347 1.500 1.00 0.00 C ATOM 1230 O LYS A 79 93.750 -4.004 1.258 1.00 0.00 O ATOM 1231 CB LYS A 79 95.631 -5.216 2.927 1.00 0.00 C ATOM 1232 CG LYS A 79 96.998 -5.687 3.444 1.00 0.00 C ATOM 1233 CD LYS A 79 97.949 -5.926 2.264 1.00 0.00 C ATOM 1234 CE LYS A 79 97.745 -7.341 1.707 1.00 0.00 C ATOM 1235 NZ LYS A 79 98.093 -7.357 0.257 1.00 0.00 N1+ ATOM 0 H LYS A 79 94.594 -3.527 4.496 1.00 0.00 H new ATOM 0 HA LYS A 79 96.675 -3.382 2.455 1.00 0.00 H new ATOM 0 HB2 LYS A 79 94.853 -5.466 3.649 1.00 0.00 H new ATOM 0 HB3 LYS A 79 95.384 -5.735 2.001 1.00 0.00 H new ATOM 0 HG2 LYS A 79 97.419 -4.940 4.116 1.00 0.00 H new ATOM 0 HG3 LYS A 79 96.882 -6.605 4.020 1.00 0.00 H new ATOM 0 HD2 LYS A 79 97.766 -5.188 1.483 1.00 0.00 H new ATOM 0 HD3 LYS A 79 98.982 -5.798 2.587 1.00 0.00 H new ATOM 0 HE2 LYS A 79 98.369 -8.051 2.250 1.00 0.00 H new ATOM 0 HE3 LYS A 79 96.710 -7.653 1.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 97.955 -8.315 -0.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 97.480 -6.691 -0.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 99.087 -7.076 0.135 1.00 0.00 H new ATOM 1249 N MET A 80 95.150 -2.316 0.752 1.00 0.00 N ATOM 1250 CA MET A 80 94.381 -1.897 -0.418 1.00 0.00 C ATOM 1251 C MET A 80 95.091 -0.761 -1.150 1.00 0.00 C ATOM 1252 O MET A 80 94.951 0.408 -0.788 1.00 0.00 O ATOM 1253 CB MET A 80 92.979 -1.440 -0.003 1.00 0.00 C ATOM 1254 CG MET A 80 92.242 -0.877 -1.226 1.00 0.00 C ATOM 1255 SD MET A 80 90.453 -1.010 -0.975 1.00 0.00 S ATOM 1256 CE MET A 80 89.985 0.502 -1.853 1.00 0.00 C ATOM 0 H MET A 80 95.986 -1.760 0.933 1.00 0.00 H new ATOM 0 HA MET A 80 94.295 -2.752 -1.088 1.00 0.00 H new ATOM 0 HB2 MET A 80 92.422 -2.277 0.417 1.00 0.00 H new ATOM 0 HB3 MET A 80 93.048 -0.680 0.775 1.00 0.00 H new ATOM 0 HG2 MET A 80 92.521 0.165 -1.383 1.00 0.00 H new ATOM 0 HG3 MET A 80 92.535 -1.423 -2.123 1.00 0.00 H new ATOM 0 HE1 MET A 80 88.979 0.392 -2.257 1.00 0.00 H new ATOM 0 HE2 MET A 80 90.008 1.345 -1.163 1.00 0.00 H new ATOM 0 HE3 MET A 80 90.686 0.681 -2.669 1.00 0.00 H new ATOM 1266 N ILE A 81 95.851 -1.115 -2.183 1.00 0.00 N ATOM 1267 CA ILE A 81 96.582 -0.122 -2.969 1.00 0.00 C ATOM 1268 C ILE A 81 96.407 -0.387 -4.461 1.00 0.00 C ATOM 1269 O ILE A 81 97.272 -0.986 -5.100 1.00 0.00 O ATOM 1270 CB ILE A 81 98.072 -0.169 -2.614 1.00 0.00 C ATOM 1271 CG1 ILE A 81 98.254 0.095 -1.109 1.00 0.00 C ATOM 1272 CG2 ILE A 81 98.818 0.901 -3.416 1.00 0.00 C ATOM 1273 CD1 ILE A 81 98.228 -1.229 -0.334 1.00 0.00 C ATOM 0 H ILE A 81 95.977 -2.078 -2.495 1.00 0.00 H new ATOM 0 HA ILE A 81 96.182 0.865 -2.736 1.00 0.00 H new ATOM 0 HB ILE A 81 98.473 -1.153 -2.857 1.00 0.00 H new ATOM 0 HG12 ILE A 81 99.199 0.609 -0.934 1.00 0.00 H new ATOM 0 HG13 ILE A 81 97.462 0.752 -0.749 1.00 0.00 H new ATOM 0 HG21 ILE A 81 99.878 0.870 -3.166 1.00 0.00 H new ATOM 0 HG22 ILE A 81 98.691 0.711 -4.482 1.00 0.00 H new ATOM 0 HG23 ILE A 81 98.416 1.884 -3.172 1.00 0.00 H new ATOM 0 HD11 ILE A 81 98.358 -1.030 0.730 1.00 0.00 H new ATOM 0 HD12 ILE A 81 97.272 -1.727 -0.496 1.00 0.00 H new ATOM 0 HD13 ILE A 81 99.036 -1.872 -0.684 1.00 0.00 H new ATOM 1285 N PHE A 82 95.280 0.064 -5.012 1.00 0.00 N ATOM 1286 CA PHE A 82 94.996 -0.128 -6.434 1.00 0.00 C ATOM 1287 C PHE A 82 94.972 1.213 -7.161 1.00 0.00 C ATOM 1288 O PHE A 82 95.838 1.497 -7.988 1.00 0.00 O ATOM 1289 CB PHE A 82 93.646 -0.828 -6.608 1.00 0.00 C ATOM 1290 CG PHE A 82 93.470 -1.232 -8.054 1.00 0.00 C ATOM 1291 CD1 PHE A 82 94.168 -2.334 -8.562 1.00 0.00 C ATOM 1292 CD2 PHE A 82 92.612 -0.502 -8.887 1.00 0.00 C ATOM 1293 CE1 PHE A 82 94.008 -2.708 -9.901 1.00 0.00 C ATOM 1294 CE2 PHE A 82 92.453 -0.877 -10.227 1.00 0.00 C ATOM 1295 CZ PHE A 82 93.151 -1.980 -10.734 1.00 0.00 C ATOM 0 H PHE A 82 94.553 0.562 -4.499 1.00 0.00 H new ATOM 0 HA PHE A 82 95.784 -0.747 -6.862 1.00 0.00 H new ATOM 0 HB2 PHE A 82 93.594 -1.707 -5.965 1.00 0.00 H new ATOM 0 HB3 PHE A 82 92.838 -0.163 -6.304 1.00 0.00 H new ATOM 0 HD1 PHE A 82 94.830 -2.896 -7.920 1.00 0.00 H new ATOM 0 HD2 PHE A 82 92.074 0.349 -8.496 1.00 0.00 H new ATOM 0 HE1 PHE A 82 94.546 -3.559 -10.292 1.00 0.00 H new ATOM 0 HE2 PHE A 82 91.792 -0.315 -10.870 1.00 0.00 H new ATOM 0 HZ PHE A 82 93.028 -2.269 -11.767 1.00 0.00 H new ATOM 1305 N ALA A 83 93.973 2.032 -6.849 1.00 0.00 N ATOM 1306 CA ALA A 83 93.843 3.340 -7.480 1.00 0.00 C ATOM 1307 C ALA A 83 92.655 4.097 -6.896 1.00 0.00 C ATOM 1308 O ALA A 83 91.512 3.650 -6.995 1.00 0.00 O ATOM 1309 CB ALA A 83 93.655 3.177 -8.990 1.00 0.00 C ATOM 0 H ALA A 83 93.246 1.815 -6.167 1.00 0.00 H new ATOM 0 HA ALA A 83 94.753 3.908 -7.289 1.00 0.00 H new ATOM 0 HB1 ALA A 83 93.559 4.159 -9.453 1.00 0.00 H new ATOM 0 HB2 ALA A 83 94.518 2.661 -9.410 1.00 0.00 H new ATOM 0 HB3 ALA A 83 92.754 2.595 -9.184 1.00 0.00 H new ATOM 1315 N GLY A 84 92.933 5.244 -6.284 1.00 0.00 N ATOM 1316 CA GLY A 84 91.878 6.053 -5.686 1.00 0.00 C ATOM 1317 C GLY A 84 91.010 6.701 -6.758 1.00 0.00 C ATOM 1318 O GLY A 84 91.306 6.612 -7.949 1.00 0.00 O ATOM 0 H GLY A 84 93.872 5.631 -6.190 1.00 0.00 H new ATOM 0 HA2 GLY A 84 91.259 5.430 -5.040 1.00 0.00 H new ATOM 0 HA3 GLY A 84 92.320 6.825 -5.056 1.00 0.00 H new ATOM 1322 N ILE A 85 89.939 7.359 -6.324 1.00 0.00 N ATOM 1323 CA ILE A 85 89.030 8.025 -7.252 1.00 0.00 C ATOM 1324 C ILE A 85 89.510 9.449 -7.528 1.00 0.00 C ATOM 1325 O ILE A 85 90.335 9.985 -6.787 1.00 0.00 O ATOM 1326 CB ILE A 85 87.621 8.053 -6.655 1.00 0.00 C ATOM 1327 CG1 ILE A 85 87.060 6.620 -6.582 1.00 0.00 C ATOM 1328 CG2 ILE A 85 86.707 8.928 -7.517 1.00 0.00 C ATOM 1329 CD1 ILE A 85 86.378 6.238 -7.902 1.00 0.00 C ATOM 0 H ILE A 85 89.680 7.445 -5.341 1.00 0.00 H new ATOM 0 HA ILE A 85 89.012 7.475 -8.193 1.00 0.00 H new ATOM 0 HB ILE A 85 87.666 8.471 -5.650 1.00 0.00 H new ATOM 0 HG12 ILE A 85 87.866 5.919 -6.367 1.00 0.00 H new ATOM 0 HG13 ILE A 85 86.345 6.545 -5.762 1.00 0.00 H new ATOM 0 HG21 ILE A 85 85.706 8.943 -7.086 1.00 0.00 H new ATOM 0 HG22 ILE A 85 87.102 9.943 -7.552 1.00 0.00 H new ATOM 0 HG23 ILE A 85 86.661 8.521 -8.527 1.00 0.00 H new ATOM 0 HD11 ILE A 85 85.989 5.222 -7.830 1.00 0.00 H new ATOM 0 HD12 ILE A 85 85.558 6.928 -8.101 1.00 0.00 H new ATOM 0 HD13 ILE A 85 87.102 6.292 -8.715 1.00 0.00 H new ATOM 1341 N LYS A 86 89.005 10.053 -8.602 1.00 0.00 N ATOM 1342 CA LYS A 86 89.410 11.410 -8.967 1.00 0.00 C ATOM 1343 C LYS A 86 88.325 12.435 -8.639 1.00 0.00 C ATOM 1344 O LYS A 86 88.516 13.295 -7.779 1.00 0.00 O ATOM 1345 CB LYS A 86 89.729 11.473 -10.462 1.00 0.00 C ATOM 1346 CG LYS A 86 90.447 12.788 -10.774 1.00 0.00 C ATOM 1347 CD LYS A 86 90.933 12.774 -12.225 1.00 0.00 C ATOM 1348 CE LYS A 86 91.669 14.081 -12.531 1.00 0.00 C ATOM 1349 NZ LYS A 86 92.968 14.105 -11.798 1.00 0.00 N1+ ATOM 0 H LYS A 86 88.321 9.630 -9.230 1.00 0.00 H new ATOM 0 HA LYS A 86 90.297 11.656 -8.383 1.00 0.00 H new ATOM 0 HB2 LYS A 86 90.355 10.628 -10.747 1.00 0.00 H new ATOM 0 HB3 LYS A 86 88.810 11.400 -11.044 1.00 0.00 H new ATOM 0 HG2 LYS A 86 89.773 13.629 -10.613 1.00 0.00 H new ATOM 0 HG3 LYS A 86 91.291 12.923 -10.098 1.00 0.00 H new ATOM 0 HD2 LYS A 86 91.596 11.924 -12.389 1.00 0.00 H new ATOM 0 HD3 LYS A 86 90.087 12.654 -12.902 1.00 0.00 H new ATOM 0 HE2 LYS A 86 91.843 14.170 -13.603 1.00 0.00 H new ATOM 0 HE3 LYS A 86 91.057 14.933 -12.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 93.581 14.841 -12.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 92.796 14.311 -10.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 93.434 13.179 -11.887 1.00 0.00 H new ATOM 1363 N LYS A 87 87.194 12.355 -9.338 1.00 0.00 N ATOM 1364 CA LYS A 87 86.104 13.303 -9.114 1.00 0.00 C ATOM 1365 C LYS A 87 85.236 12.881 -7.930 1.00 0.00 C ATOM 1366 O LYS A 87 85.273 11.730 -7.494 1.00 0.00 O ATOM 1367 CB LYS A 87 85.237 13.413 -10.373 1.00 0.00 C ATOM 1368 CG LYS A 87 86.112 13.235 -11.617 1.00 0.00 C ATOM 1369 CD LYS A 87 85.346 13.709 -12.854 1.00 0.00 C ATOM 1370 CE LYS A 87 86.085 13.261 -14.116 1.00 0.00 C ATOM 1371 NZ LYS A 87 85.270 13.600 -15.316 1.00 0.00 N1+ ATOM 0 H LYS A 87 87.009 11.653 -10.055 1.00 0.00 H new ATOM 0 HA LYS A 87 86.546 14.273 -8.887 1.00 0.00 H new ATOM 0 HB2 LYS A 87 84.454 12.655 -10.355 1.00 0.00 H new ATOM 0 HB3 LYS A 87 84.740 14.383 -10.401 1.00 0.00 H new ATOM 0 HG2 LYS A 87 87.036 13.803 -11.509 1.00 0.00 H new ATOM 0 HG3 LYS A 87 86.393 12.188 -11.730 1.00 0.00 H new ATOM 0 HD2 LYS A 87 84.335 13.300 -12.847 1.00 0.00 H new ATOM 0 HD3 LYS A 87 85.251 14.795 -12.842 1.00 0.00 H new ATOM 0 HE2 LYS A 87 87.057 13.750 -14.174 1.00 0.00 H new ATOM 0 HE3 LYS A 87 86.270 12.187 -14.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 85.772 13.295 -16.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 84.352 13.114 -15.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 85.116 14.628 -15.352 1.00 0.00 H new ATOM 1385 N LYS A 88 84.454 13.826 -7.417 1.00 0.00 N ATOM 1386 CA LYS A 88 83.578 13.542 -6.288 1.00 0.00 C ATOM 1387 C LYS A 88 82.424 12.647 -6.722 1.00 0.00 C ATOM 1388 O LYS A 88 82.179 11.605 -6.119 1.00 0.00 O ATOM 1389 CB LYS A 88 83.023 14.843 -5.704 1.00 0.00 C ATOM 1390 CG LYS A 88 82.370 14.555 -4.348 1.00 0.00 C ATOM 1391 CD LYS A 88 81.600 15.792 -3.867 1.00 0.00 C ATOM 1392 CE LYS A 88 80.161 15.742 -4.389 1.00 0.00 C ATOM 1393 NZ LYS A 88 79.543 17.093 -4.273 1.00 0.00 N1+ ATOM 0 H LYS A 88 84.409 14.785 -7.761 1.00 0.00 H new ATOM 0 HA LYS A 88 84.162 13.027 -5.525 1.00 0.00 H new ATOM 0 HB2 LYS A 88 83.824 15.573 -5.586 1.00 0.00 H new ATOM 0 HB3 LYS A 88 82.293 15.278 -6.386 1.00 0.00 H new ATOM 0 HG2 LYS A 88 81.693 13.705 -4.434 1.00 0.00 H new ATOM 0 HG3 LYS A 88 83.132 14.283 -3.618 1.00 0.00 H new ATOM 0 HD2 LYS A 88 81.600 15.831 -2.778 1.00 0.00 H new ATOM 0 HD3 LYS A 88 82.093 16.698 -4.219 1.00 0.00 H new ATOM 0 HE2 LYS A 88 80.151 15.414 -5.428 1.00 0.00 H new ATOM 0 HE3 LYS A 88 79.581 15.015 -3.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 78.566 17.059 -4.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 79.540 17.389 -3.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 80.092 17.775 -4.835 1.00 0.00 H new ATOM 1407 N THR A 89 81.721 13.057 -7.774 1.00 0.00 N ATOM 1408 CA THR A 89 80.596 12.272 -8.270 1.00 0.00 C ATOM 1409 C THR A 89 81.015 10.825 -8.486 1.00 0.00 C ATOM 1410 O THR A 89 80.190 9.917 -8.416 1.00 0.00 O ATOM 1411 CB THR A 89 80.077 12.849 -9.584 1.00 0.00 C ATOM 1412 OG1 THR A 89 81.133 12.891 -10.534 1.00 0.00 O ATOM 1413 CG2 THR A 89 79.541 14.262 -9.350 1.00 0.00 C ATOM 0 H THR A 89 81.907 13.915 -8.293 1.00 0.00 H new ATOM 0 HA THR A 89 79.802 12.311 -7.525 1.00 0.00 H new ATOM 0 HB THR A 89 79.273 12.218 -9.963 1.00 0.00 H new ATOM 0 HG1 THR A 89 80.799 13.260 -11.378 1.00 0.00 H new ATOM 0 HG21 THR A 89 79.171 14.671 -10.290 1.00 0.00 H new ATOM 0 HG22 THR A 89 78.728 14.227 -8.625 1.00 0.00 H new ATOM 0 HG23 THR A 89 80.341 14.896 -8.968 1.00 0.00 H new ATOM 1421 N GLU A 90 82.301 10.613 -8.738 1.00 0.00 N ATOM 1422 CA GLU A 90 82.801 9.264 -8.945 1.00 0.00 C ATOM 1423 C GLU A 90 82.737 8.498 -7.630 1.00 0.00 C ATOM 1424 O GLU A 90 82.414 7.311 -7.604 1.00 0.00 O ATOM 1425 CB GLU A 90 84.243 9.302 -9.460 1.00 0.00 C ATOM 1426 CG GLU A 90 84.250 9.637 -10.953 1.00 0.00 C ATOM 1427 CD GLU A 90 85.683 9.669 -11.473 1.00 0.00 C ATOM 1428 OE1 GLU A 90 86.568 9.984 -10.693 1.00 0.00 O1- ATOM 1429 OE2 GLU A 90 85.874 9.380 -12.642 1.00 0.00 O ATOM 0 H GLU A 90 83.006 11.347 -8.803 1.00 0.00 H new ATOM 0 HA GLU A 90 82.183 8.763 -9.690 1.00 0.00 H new ATOM 0 HB2 GLU A 90 84.817 10.046 -8.908 1.00 0.00 H new ATOM 0 HB3 GLU A 90 84.725 8.339 -9.291 1.00 0.00 H new ATOM 0 HG2 GLU A 90 83.671 8.895 -11.503 1.00 0.00 H new ATOM 0 HG3 GLU A 90 83.772 10.602 -11.120 1.00 0.00 H new ATOM 1436 N ARG A 91 83.032 9.196 -6.537 1.00 0.00 N ATOM 1437 CA ARG A 91 82.987 8.583 -5.214 1.00 0.00 C ATOM 1438 C ARG A 91 81.544 8.451 -4.746 1.00 0.00 C ATOM 1439 O ARG A 91 81.132 7.396 -4.276 1.00 0.00 O ATOM 1440 CB ARG A 91 83.768 9.433 -4.209 1.00 0.00 C ATOM 1441 CG ARG A 91 85.224 9.551 -4.661 1.00 0.00 C ATOM 1442 CD ARG A 91 86.091 10.093 -3.516 1.00 0.00 C ATOM 1443 NE ARG A 91 86.914 11.202 -3.991 1.00 0.00 N ATOM 1444 CZ ARG A 91 86.485 12.461 -3.941 1.00 0.00 C ATOM 1445 NH1 ARG A 91 85.299 12.737 -3.469 1.00 0.00 N ATOM 1446 NH2 ARG A 91 87.252 13.426 -4.370 1.00 0.00 N1+ ATOM 0 H ARG A 91 83.303 10.179 -6.541 1.00 0.00 H new ATOM 0 HA ARG A 91 83.440 7.593 -5.278 1.00 0.00 H new ATOM 0 HB2 ARG A 91 83.320 10.423 -4.129 1.00 0.00 H new ATOM 0 HB3 ARG A 91 83.719 8.980 -3.219 1.00 0.00 H new ATOM 0 HG2 ARG A 91 85.595 8.576 -4.978 1.00 0.00 H new ATOM 0 HG3 ARG A 91 85.292 10.213 -5.524 1.00 0.00 H new ATOM 0 HD2 ARG A 91 85.456 10.427 -2.695 1.00 0.00 H new ATOM 0 HD3 ARG A 91 86.727 9.299 -3.124 1.00 0.00 H new ATOM 0 HE ARG A 91 87.840 11.007 -4.370 1.00 0.00 H new ATOM 0 HH11 ARG A 91 84.695 11.986 -3.136 1.00 0.00 H new ATOM 0 HH12 ARG A 91 84.977 13.704 -3.434 1.00 0.00 H new ATOM 0 HH21 ARG A 91 88.178 13.214 -4.742 1.00 0.00 H new ATOM 0 HH22 ARG A 91 86.926 14.392 -4.333 1.00 0.00 H new ATOM 1460 N GLU A 92 80.780 9.531 -4.883 1.00 0.00 N ATOM 1461 CA GLU A 92 79.382 9.517 -4.473 1.00 0.00 C ATOM 1462 C GLU A 92 78.623 8.455 -5.258 1.00 0.00 C ATOM 1463 O GLU A 92 77.970 7.591 -4.676 1.00 0.00 O ATOM 1464 CB GLU A 92 78.748 10.889 -4.714 1.00 0.00 C ATOM 1465 CG GLU A 92 77.419 10.978 -3.961 1.00 0.00 C ATOM 1466 CD GLU A 92 76.697 12.270 -4.331 1.00 0.00 C ATOM 1467 OE1 GLU A 92 76.397 12.442 -5.501 1.00 0.00 O ATOM 1468 OE2 GLU A 92 76.456 13.067 -3.440 1.00 0.00 O1- ATOM 0 H GLU A 92 81.102 10.418 -5.271 1.00 0.00 H new ATOM 0 HA GLU A 92 79.330 9.284 -3.409 1.00 0.00 H new ATOM 0 HB2 GLU A 92 79.422 11.677 -4.377 1.00 0.00 H new ATOM 0 HB3 GLU A 92 78.585 11.043 -5.781 1.00 0.00 H new ATOM 0 HG2 GLU A 92 76.794 10.119 -4.206 1.00 0.00 H new ATOM 0 HG3 GLU A 92 77.597 10.946 -2.886 1.00 0.00 H new ATOM 1475 N ASP A 93 78.725 8.516 -6.584 1.00 0.00 N ATOM 1476 CA ASP A 93 78.053 7.540 -7.433 1.00 0.00 C ATOM 1477 C ASP A 93 78.523 6.134 -7.076 1.00 0.00 C ATOM 1478 O ASP A 93 77.714 5.243 -6.814 1.00 0.00 O ATOM 1479 CB ASP A 93 78.359 7.824 -8.905 1.00 0.00 C ATOM 1480 CG ASP A 93 77.829 9.200 -9.291 1.00 0.00 C ATOM 1481 OD1 ASP A 93 77.437 9.934 -8.399 1.00 0.00 O ATOM 1482 OD2 ASP A 93 77.823 9.501 -10.474 1.00 0.00 O1- ATOM 0 H ASP A 93 79.261 9.223 -7.088 1.00 0.00 H new ATOM 0 HA ASP A 93 76.978 7.614 -7.272 1.00 0.00 H new ATOM 0 HB2 ASP A 93 79.434 7.778 -9.077 1.00 0.00 H new ATOM 0 HB3 ASP A 93 77.903 7.060 -9.534 1.00 0.00 H new ATOM 1487 N LEU A 94 79.840 5.946 -7.059 1.00 0.00 N ATOM 1488 CA LEU A 94 80.416 4.649 -6.722 1.00 0.00 C ATOM 1489 C LEU A 94 79.894 4.181 -5.374 1.00 0.00 C ATOM 1490 O LEU A 94 79.611 2.999 -5.176 1.00 0.00 O ATOM 1491 CB LEU A 94 81.944 4.759 -6.656 1.00 0.00 C ATOM 1492 CG LEU A 94 82.548 3.446 -6.151 1.00 0.00 C ATOM 1493 CD1 LEU A 94 82.031 2.285 -6.998 1.00 0.00 C ATOM 1494 CD2 LEU A 94 84.078 3.513 -6.246 1.00 0.00 C ATOM 0 H LEU A 94 80.524 6.671 -7.273 1.00 0.00 H new ATOM 0 HA LEU A 94 80.132 3.931 -7.491 1.00 0.00 H new ATOM 0 HB2 LEU A 94 82.342 4.995 -7.643 1.00 0.00 H new ATOM 0 HB3 LEU A 94 82.229 5.577 -5.994 1.00 0.00 H new ATOM 0 HG LEU A 94 82.258 3.291 -5.112 1.00 0.00 H new ATOM 0 HD11 LEU A 94 82.462 1.351 -6.637 1.00 0.00 H new ATOM 0 HD12 LEU A 94 80.945 2.236 -6.924 1.00 0.00 H new ATOM 0 HD13 LEU A 94 82.317 2.438 -8.039 1.00 0.00 H new ATOM 0 HD21 LEU A 94 84.506 2.577 -5.886 1.00 0.00 H new ATOM 0 HD22 LEU A 94 84.372 3.671 -7.284 1.00 0.00 H new ATOM 0 HD23 LEU A 94 84.445 4.338 -5.636 1.00 0.00 H new ATOM 1506 N ILE A 95 79.785 5.117 -4.445 1.00 0.00 N ATOM 1507 CA ILE A 95 79.314 4.796 -3.110 1.00 0.00 C ATOM 1508 C ILE A 95 77.814 4.548 -3.114 1.00 0.00 C ATOM 1509 O ILE A 95 77.299 3.778 -2.302 1.00 0.00 O ATOM 1510 CB ILE A 95 79.666 5.932 -2.149 1.00 0.00 C ATOM 1511 CG1 ILE A 95 81.172 5.878 -1.881 1.00 0.00 C ATOM 1512 CG2 ILE A 95 78.889 5.761 -0.837 1.00 0.00 C ATOM 1513 CD1 ILE A 95 81.659 7.210 -1.313 1.00 0.00 C ATOM 0 H ILE A 95 80.015 6.100 -4.591 1.00 0.00 H new ATOM 0 HA ILE A 95 79.806 3.883 -2.775 1.00 0.00 H new ATOM 0 HB ILE A 95 79.398 6.895 -2.584 1.00 0.00 H new ATOM 0 HG12 ILE A 95 81.395 5.073 -1.180 1.00 0.00 H new ATOM 0 HG13 ILE A 95 81.705 5.653 -2.805 1.00 0.00 H new ATOM 0 HG21 ILE A 95 79.143 6.573 -0.155 1.00 0.00 H new ATOM 0 HG22 ILE A 95 77.819 5.781 -1.043 1.00 0.00 H new ATOM 0 HG23 ILE A 95 79.153 4.807 -0.380 1.00 0.00 H new ATOM 0 HD11 ILE A 95 82.732 7.156 -1.128 1.00 0.00 H new ATOM 0 HD12 ILE A 95 81.454 8.007 -2.028 1.00 0.00 H new ATOM 0 HD13 ILE A 95 81.139 7.419 -0.378 1.00 0.00 H new ATOM 1525 N ALA A 96 77.118 5.190 -4.041 1.00 0.00 N ATOM 1526 CA ALA A 96 75.681 5.014 -4.147 1.00 0.00 C ATOM 1527 C ALA A 96 75.378 3.584 -4.570 1.00 0.00 C ATOM 1528 O ALA A 96 74.393 2.986 -4.133 1.00 0.00 O ATOM 1529 CB ALA A 96 75.108 5.995 -5.168 1.00 0.00 C ATOM 0 H ALA A 96 77.522 5.831 -4.724 1.00 0.00 H new ATOM 0 HA ALA A 96 75.220 5.209 -3.179 1.00 0.00 H new ATOM 0 HB1 ALA A 96 74.029 5.856 -5.241 1.00 0.00 H new ATOM 0 HB2 ALA A 96 75.321 7.016 -4.851 1.00 0.00 H new ATOM 0 HB3 ALA A 96 75.564 5.814 -6.142 1.00 0.00 H new ATOM 1535 N TYR A 97 76.252 3.034 -5.410 1.00 0.00 N ATOM 1536 CA TYR A 97 76.086 1.663 -5.871 1.00 0.00 C ATOM 1537 C TYR A 97 76.416 0.705 -4.735 1.00 0.00 C ATOM 1538 O TYR A 97 75.776 -0.332 -4.576 1.00 0.00 O ATOM 1539 CB TYR A 97 77.003 1.385 -7.065 1.00 0.00 C ATOM 1540 CG TYR A 97 76.985 -0.094 -7.383 1.00 0.00 C ATOM 1541 CD1 TYR A 97 75.926 -0.641 -8.116 1.00 0.00 C ATOM 1542 CD2 TYR A 97 78.029 -0.917 -6.941 1.00 0.00 C ATOM 1543 CE1 TYR A 97 75.909 -2.011 -8.406 1.00 0.00 C ATOM 1544 CE2 TYR A 97 78.011 -2.286 -7.232 1.00 0.00 C ATOM 1545 CZ TYR A 97 76.951 -2.833 -7.963 1.00 0.00 C ATOM 1546 OH TYR A 97 76.934 -4.183 -8.250 1.00 0.00 O ATOM 0 H TYR A 97 77.073 3.513 -5.780 1.00 0.00 H new ATOM 0 HA TYR A 97 75.053 1.518 -6.186 1.00 0.00 H new ATOM 0 HB2 TYR A 97 76.673 1.958 -7.932 1.00 0.00 H new ATOM 0 HB3 TYR A 97 78.020 1.707 -6.839 1.00 0.00 H new ATOM 0 HD1 TYR A 97 75.122 -0.007 -8.458 1.00 0.00 H new ATOM 0 HD2 TYR A 97 78.847 -0.495 -6.376 1.00 0.00 H new ATOM 0 HE1 TYR A 97 75.092 -2.433 -8.972 1.00 0.00 H new ATOM 0 HE2 TYR A 97 78.816 -2.921 -6.892 1.00 0.00 H new ATOM 0 HH TYR A 97 77.854 -4.514 -8.323 1.00 0.00 H new ATOM 1556 N LEU A 98 77.418 1.073 -3.940 1.00 0.00 N ATOM 1557 CA LEU A 98 77.827 0.253 -2.810 1.00 0.00 C ATOM 1558 C LEU A 98 76.657 0.064 -1.851 1.00 0.00 C ATOM 1559 O LEU A 98 76.376 -1.046 -1.406 1.00 0.00 O ATOM 1560 CB LEU A 98 78.976 0.936 -2.061 1.00 0.00 C ATOM 1561 CG LEU A 98 80.317 0.639 -2.750 1.00 0.00 C ATOM 1562 CD1 LEU A 98 81.341 1.714 -2.376 1.00 0.00 C ATOM 1563 CD2 LEU A 98 80.835 -0.722 -2.287 1.00 0.00 C ATOM 0 H LEU A 98 77.958 1.930 -4.059 1.00 0.00 H new ATOM 0 HA LEU A 98 78.154 -0.717 -3.184 1.00 0.00 H new ATOM 0 HB2 LEU A 98 78.808 2.012 -2.028 1.00 0.00 H new ATOM 0 HB3 LEU A 98 79.005 0.586 -1.029 1.00 0.00 H new ATOM 0 HG LEU A 98 80.170 0.634 -3.830 1.00 0.00 H new ATOM 0 HD11 LEU A 98 82.290 1.499 -2.867 1.00 0.00 H new ATOM 0 HD12 LEU A 98 80.978 2.690 -2.699 1.00 0.00 H new ATOM 0 HD13 LEU A 98 81.485 1.720 -1.296 1.00 0.00 H new ATOM 0 HD21 LEU A 98 81.786 -0.934 -2.775 1.00 0.00 H new ATOM 0 HD22 LEU A 98 80.976 -0.709 -1.206 1.00 0.00 H new ATOM 0 HD23 LEU A 98 80.112 -1.495 -2.549 1.00 0.00 H new ATOM 1575 N LYS A 99 75.988 1.168 -1.530 1.00 0.00 N ATOM 1576 CA LYS A 99 74.854 1.132 -0.613 1.00 0.00 C ATOM 1577 C LYS A 99 73.778 0.168 -1.104 1.00 0.00 C ATOM 1578 O LYS A 99 73.363 -0.736 -0.380 1.00 0.00 O ATOM 1579 CB LYS A 99 74.255 2.534 -0.471 1.00 0.00 C ATOM 1580 CG LYS A 99 75.181 3.408 0.384 1.00 0.00 C ATOM 1581 CD LYS A 99 74.472 4.719 0.742 1.00 0.00 C ATOM 1582 CE LYS A 99 74.444 5.644 -0.478 1.00 0.00 C ATOM 1583 NZ LYS A 99 73.967 6.994 -0.064 1.00 0.00 N1+ ATOM 0 H LYS A 99 76.211 2.096 -1.890 1.00 0.00 H new ATOM 0 HA LYS A 99 75.214 0.784 0.355 1.00 0.00 H new ATOM 0 HB2 LYS A 99 74.121 2.984 -1.455 1.00 0.00 H new ATOM 0 HB3 LYS A 99 73.269 2.474 -0.011 1.00 0.00 H new ATOM 0 HG2 LYS A 99 75.462 2.876 1.293 1.00 0.00 H new ATOM 0 HG3 LYS A 99 76.102 3.619 -0.160 1.00 0.00 H new ATOM 0 HD2 LYS A 99 73.455 4.513 1.077 1.00 0.00 H new ATOM 0 HD3 LYS A 99 74.988 5.208 1.569 1.00 0.00 H new ATOM 0 HE2 LYS A 99 75.439 5.716 -0.916 1.00 0.00 H new ATOM 0 HE3 LYS A 99 73.787 5.233 -1.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 73.473 7.447 -0.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 73.315 6.900 0.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 74.780 7.579 0.216 1.00 0.00 H new ATOM 1597 N LYS A 100 73.321 0.375 -2.335 1.00 0.00 N ATOM 1598 CA LYS A 100 72.280 -0.475 -2.906 1.00 0.00 C ATOM 1599 C LYS A 100 72.806 -1.877 -3.203 1.00 0.00 C ATOM 1600 O LYS A 100 72.038 -2.838 -3.246 1.00 0.00 O ATOM 1601 CB LYS A 100 71.751 0.152 -4.198 1.00 0.00 C ATOM 1602 CG LYS A 100 70.939 1.405 -3.865 1.00 0.00 C ATOM 1603 CD LYS A 100 70.435 2.046 -5.160 1.00 0.00 C ATOM 1604 CE LYS A 100 69.302 3.024 -4.842 1.00 0.00 C ATOM 1605 NZ LYS A 100 68.053 2.263 -4.561 1.00 0.00 N1+ ATOM 0 H LYS A 100 73.651 1.117 -2.952 1.00 0.00 H new ATOM 0 HA LYS A 100 71.476 -0.558 -2.175 1.00 0.00 H new ATOM 0 HB2 LYS A 100 72.581 0.409 -4.856 1.00 0.00 H new ATOM 0 HB3 LYS A 100 71.129 -0.565 -4.734 1.00 0.00 H new ATOM 0 HG2 LYS A 100 70.097 1.146 -3.223 1.00 0.00 H new ATOM 0 HG3 LYS A 100 71.555 2.114 -3.312 1.00 0.00 H new ATOM 0 HD2 LYS A 100 71.250 2.569 -5.660 1.00 0.00 H new ATOM 0 HD3 LYS A 100 70.082 1.276 -5.846 1.00 0.00 H new ATOM 0 HE2 LYS A 100 69.568 3.638 -3.981 1.00 0.00 H new ATOM 0 HE3 LYS A 100 69.146 3.702 -5.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 67.233 2.897 -4.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 67.960 1.484 -5.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 68.092 1.875 -3.597 1.00 0.00 H new ATOM 1619 N ALA A 101 74.111 -1.990 -3.419 1.00 0.00 N ATOM 1620 CA ALA A 101 74.717 -3.284 -3.724 1.00 0.00 C ATOM 1621 C ALA A 101 75.071 -4.042 -2.448 1.00 0.00 C ATOM 1622 O ALA A 101 75.209 -5.264 -2.463 1.00 0.00 O ATOM 1623 CB ALA A 101 75.980 -3.079 -4.560 1.00 0.00 C ATOM 0 H ALA A 101 74.767 -1.209 -3.389 1.00 0.00 H new ATOM 0 HA ALA A 101 73.992 -3.873 -4.285 1.00 0.00 H new ATOM 0 HB1 ALA A 101 76.428 -4.047 -4.785 1.00 0.00 H new ATOM 0 HB2 ALA A 101 75.722 -2.573 -5.491 1.00 0.00 H new ATOM 0 HB3 ALA A 101 76.691 -2.471 -4.001 1.00 0.00 H new ATOM 1629 N THR A 102 75.218 -3.312 -1.349 1.00 0.00 N ATOM 1630 CA THR A 102 75.561 -3.928 -0.070 1.00 0.00 C ATOM 1631 C THR A 102 74.300 -4.196 0.737 1.00 0.00 C ATOM 1632 O THR A 102 74.362 -4.663 1.875 1.00 0.00 O ATOM 1633 CB THR A 102 76.491 -3.004 0.721 1.00 0.00 C ATOM 1634 OG1 THR A 102 75.909 -1.711 0.807 1.00 0.00 O ATOM 1635 CG2 THR A 102 77.846 -2.911 0.014 1.00 0.00 C ATOM 0 H THR A 102 75.106 -2.299 -1.316 1.00 0.00 H new ATOM 0 HA THR A 102 76.069 -4.873 -0.261 1.00 0.00 H new ATOM 0 HB THR A 102 76.635 -3.406 1.724 1.00 0.00 H new ATOM 0 HG1 THR A 102 76.315 -1.124 0.135 1.00 0.00 H new ATOM 0 HG21 THR A 102 78.507 -2.253 0.579 1.00 0.00 H new ATOM 0 HG22 THR A 102 78.292 -3.904 -0.051 1.00 0.00 H new ATOM 0 HG23 THR A 102 77.706 -2.510 -0.990 1.00 0.00 H new ATOM 1643 N ASN A 103 73.158 -3.896 0.133 1.00 0.00 N ATOM 1644 CA ASN A 103 71.872 -4.101 0.787 1.00 0.00 C ATOM 1645 C ASN A 103 71.201 -5.358 0.246 1.00 0.00 C ATOM 1646 O ASN A 103 70.362 -5.965 0.913 1.00 0.00 O ATOM 1647 CB ASN A 103 70.974 -2.887 0.543 1.00 0.00 C ATOM 1648 CG ASN A 103 71.367 -1.753 1.481 1.00 0.00 C ATOM 1649 OD1 ASN A 103 72.589 -1.686 1.925 1.00 0.00 O flip ATOM 1650 ND2 ASN A 103 70.538 -0.908 1.818 1.00 0.00 N flip ATOM 0 H ASN A 103 73.096 -3.510 -0.809 1.00 0.00 H new ATOM 0 HA ASN A 103 72.033 -4.223 1.858 1.00 0.00 H new ATOM 0 HB2 ASN A 103 71.063 -2.561 -0.493 1.00 0.00 H new ATOM 0 HB3 ASN A 103 69.930 -3.158 0.703 1.00 0.00 H new ATOM 0 HD21 ASN A 103 69.582 -0.964 1.468 1.00 0.00 H new ATOM 0 HD22 ASN A 103 70.807 -0.152 2.447 1.00 0.00 H new ATOM 1657 N GLU A 104 71.581 -5.743 -0.968 1.00 0.00 N ATOM 1658 CA GLU A 104 71.017 -6.933 -1.599 1.00 0.00 C ATOM 1659 C GLU A 104 72.111 -7.734 -2.298 1.00 0.00 C ATOM 1660 O GLU A 104 71.984 -8.946 -2.359 1.00 0.00 O ATOM 1661 CB GLU A 104 69.948 -6.532 -2.618 1.00 0.00 C ATOM 1662 CG GLU A 104 70.470 -5.382 -3.483 1.00 0.00 C ATOM 1663 CD GLU A 104 69.624 -5.253 -4.745 1.00 0.00 C ATOM 1664 OE1 GLU A 104 68.542 -4.696 -4.654 1.00 0.00 O1- ATOM 1665 OE2 GLU A 104 70.070 -5.711 -5.784 1.00 0.00 O ATOM 1666 OXT GLU A 104 73.061 -7.123 -2.760 1.00 0.00 O ATOM 0 H GLU A 104 72.274 -5.252 -1.533 1.00 0.00 H new ATOM 0 HA GLU A 104 70.564 -7.551 -0.824 1.00 0.00 H new ATOM 0 HB2 GLU A 104 69.691 -7.385 -3.246 1.00 0.00 H new ATOM 0 HB3 GLU A 104 69.036 -6.229 -2.104 1.00 0.00 H new ATOM 0 HG2 GLU A 104 70.441 -4.450 -2.919 1.00 0.00 H new ATOM 0 HG3 GLU A 104 71.512 -5.561 -3.750 1.00 0.00 H new