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 -106:sc= 0.657 USER MOD Set 1.2: A 103 ASN :FLIP amide:sc= -1.39 F(o=-3.4!,f=-0.73) USER MOD Set 2.1: A 67 TYR OH : rot 31:sc= 0.161 USER MOD Set 2.2: A 80 MET CE :methyl 141:sc= -0.705 (180deg=-3.3!) USER MOD Set 3.1: A 65 MET CE :methyl -172:sc= -0.0693 (180deg=-0.116) USER MOD Set 3.2: A 88 LYS NZ :NH3+ 148:sc= -0.232 (180deg=-1.06) USER MOD Set 4.1: A 31 ASN : amide:sc= -6.75! C(o=-13!,f=-21!) USER MOD Set 4.2: A 33 HIS : no HD1:sc= -6.21! C(o=-13!,f=-22!) USER MOD Single : A 5 LYS NZ :NH3+ 164:sc= -0.66 (180deg=-0.851) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ -154:sc= -0.0895 (180deg=-0.554) USER MOD Single : A 12 GLN :FLIP amide:sc= -3.03! F(o=-4.2,f=-3!) USER MOD Single : A 13 LYS NZ :NH3+ -148:sc= 0 (180deg=-0.177) USER MOD Single : A 14 CYS SG : rot 180:sc= 0.037 USER MOD Single : A 16 GLN : amide:sc= 1.82 K(o=1.8,f=0) USER MOD Single : A 17 CYS SG : rot 180:sc= -0.147 USER MOD Single : A 18 HIS :FLIP no HD1:sc= -1.95 F(o=-2.9!,f=-1.9) USER MOD Single : A 19 THR OG1 : rot -151:sc= 0.492 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0809) USER MOD Single : A 26 HIS : no HD1:sc= 0.176 K(o=0.18,f=-1.7!) USER MOD Single : A 27 LYS NZ :NH3+ 156:sc= 0 (180deg=-0.508) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 163:sc=-0.00337 (180deg=-0.17) USER MOD Single : A 40 THR OG1 : rot 140:sc= -0.798 USER MOD Single : A 42 GLN :FLIP amide:sc= 0.299 F(o=-3.3!,f=0.3) USER MOD Single : A 47 THR OG1 : rot 28:sc= 0.162 USER MOD Single : A 48 TYR OH : rot 180:sc= -0.782 USER MOD Single : A 49 THR OG1 : rot 140:sc= -0.483 USER MOD Single : A 52 ASN : amide:sc= 0.0196 K(o=0.02,f=-6.6!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN :FLIP amide:sc= -4.62! C(o=-10!,f=-4.6!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 81:sc= -2.43! USER MOD Single : A 70 ASN :FLIP amide:sc= -0.446 F(o=-5.4!,f=-0.45) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 23:sc= 1.1 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 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 143:sc= 0.0952 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ -145:sc= 0 (180deg=-0.0596) USER MOD ----------------------------------------------------------------- ATOM 10 N ASP A 2 74.685 8.476 -8.492 1.00 0.00 N ATOM 11 CA ASP A 2 74.284 7.699 -9.663 1.00 0.00 C ATOM 12 C ASP A 2 74.633 6.227 -9.480 1.00 0.00 C ATOM 13 O ASP A 2 75.714 5.783 -9.862 1.00 0.00 O ATOM 14 CB ASP A 2 74.990 8.233 -10.910 1.00 0.00 C ATOM 15 CG ASP A 2 74.373 9.561 -11.335 1.00 0.00 C ATOM 16 OD1 ASP A 2 73.560 10.080 -10.587 1.00 0.00 O ATOM 17 OD2 ASP A 2 74.720 10.038 -12.402 1.00 0.00 O1- ATOM 0 HA ASP A 2 73.205 7.794 -9.781 1.00 0.00 H new ATOM 0 HB2 ASP A 2 76.053 8.366 -10.707 1.00 0.00 H new ATOM 0 HB3 ASP A 2 74.909 7.509 -11.721 1.00 0.00 H new ATOM 22 N VAL A 3 73.705 5.474 -8.903 1.00 0.00 N ATOM 23 CA VAL A 3 73.920 4.052 -8.687 1.00 0.00 C ATOM 24 C VAL A 3 74.216 3.360 -10.014 1.00 0.00 C ATOM 25 O VAL A 3 74.762 2.256 -10.043 1.00 0.00 O ATOM 26 CB VAL A 3 72.679 3.428 -8.039 1.00 0.00 C ATOM 27 CG1 VAL A 3 71.422 3.911 -8.768 1.00 0.00 C ATOM 28 CG2 VAL A 3 72.762 1.900 -8.126 1.00 0.00 C ATOM 0 H VAL A 3 72.803 5.823 -8.579 1.00 0.00 H new ATOM 0 HA VAL A 3 74.773 3.921 -8.021 1.00 0.00 H new ATOM 0 HB VAL A 3 72.632 3.729 -6.992 1.00 0.00 H new ATOM 0 HG11 VAL A 3 70.540 3.467 -8.306 1.00 0.00 H new ATOM 0 HG12 VAL A 3 71.358 4.997 -8.702 1.00 0.00 H new ATOM 0 HG13 VAL A 3 71.472 3.614 -9.815 1.00 0.00 H new ATOM 0 HG21 VAL A 3 71.878 1.461 -7.664 1.00 0.00 H new ATOM 0 HG22 VAL A 3 72.813 1.597 -9.172 1.00 0.00 H new ATOM 0 HG23 VAL A 3 73.654 1.554 -7.604 1.00 0.00 H new ATOM 38 N GLU A 4 73.855 4.020 -11.112 1.00 0.00 N ATOM 39 CA GLU A 4 74.091 3.455 -12.438 1.00 0.00 C ATOM 40 C GLU A 4 75.566 3.550 -12.805 1.00 0.00 C ATOM 41 O GLU A 4 76.223 2.536 -13.052 1.00 0.00 O ATOM 42 CB GLU A 4 73.254 4.201 -13.480 1.00 0.00 C ATOM 43 CG GLU A 4 71.768 3.941 -13.222 1.00 0.00 C ATOM 44 CD GLU A 4 70.920 4.879 -14.075 1.00 0.00 C ATOM 45 OE1 GLU A 4 70.851 4.659 -15.273 1.00 0.00 O1- ATOM 46 OE2 GLU A 4 70.352 5.804 -13.518 1.00 0.00 O ATOM 0 H GLU A 4 73.404 4.935 -11.111 1.00 0.00 H new ATOM 0 HA GLU A 4 73.799 2.405 -12.422 1.00 0.00 H new ATOM 0 HB2 GLU A 4 73.461 5.270 -13.431 1.00 0.00 H new ATOM 0 HB3 GLU A 4 73.523 3.870 -14.483 1.00 0.00 H new ATOM 0 HG2 GLU A 4 71.526 2.904 -13.456 1.00 0.00 H new ATOM 0 HG3 GLU A 4 71.542 4.091 -12.166 1.00 0.00 H new ATOM 53 N LYS A 5 76.090 4.770 -12.823 1.00 0.00 N ATOM 54 CA LYS A 5 77.495 4.973 -13.145 1.00 0.00 C ATOM 55 C LYS A 5 78.355 4.462 -11.999 1.00 0.00 C ATOM 56 O LYS A 5 79.538 4.174 -12.176 1.00 0.00 O ATOM 57 CB LYS A 5 77.772 6.464 -13.396 1.00 0.00 C ATOM 58 CG LYS A 5 77.767 6.756 -14.903 1.00 0.00 C ATOM 59 CD LYS A 5 76.382 6.465 -15.495 1.00 0.00 C ATOM 60 CE LYS A 5 75.336 7.409 -14.890 1.00 0.00 C ATOM 61 NZ LYS A 5 75.938 8.754 -14.661 1.00 0.00 N1+ ATOM 0 H LYS A 5 75.569 5.624 -12.621 1.00 0.00 H new ATOM 0 HA LYS A 5 77.741 4.420 -14.052 1.00 0.00 H new ATOM 0 HB2 LYS A 5 77.016 7.071 -12.898 1.00 0.00 H new ATOM 0 HB3 LYS A 5 78.736 6.740 -12.968 1.00 0.00 H new ATOM 0 HG2 LYS A 5 78.034 7.798 -15.080 1.00 0.00 H new ATOM 0 HG3 LYS A 5 78.519 6.145 -15.402 1.00 0.00 H new ATOM 0 HD2 LYS A 5 76.409 6.587 -16.578 1.00 0.00 H new ATOM 0 HD3 LYS A 5 76.105 5.429 -15.298 1.00 0.00 H new ATOM 0 HE2 LYS A 5 74.480 7.493 -15.559 1.00 0.00 H new ATOM 0 HE3 LYS A 5 74.967 7.001 -13.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 75.182 9.452 -14.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 76.549 8.722 -13.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 76.504 9.027 -15.490 1.00 0.00 H new ATOM 75 N GLY A 6 77.741 4.326 -10.830 1.00 0.00 N ATOM 76 CA GLY A 6 78.453 3.817 -9.670 1.00 0.00 C ATOM 77 C GLY A 6 78.736 2.340 -9.872 1.00 0.00 C ATOM 78 O GLY A 6 79.791 1.832 -9.490 1.00 0.00 O ATOM 0 H GLY A 6 76.762 4.559 -10.663 1.00 0.00 H new ATOM 0 HA2 GLY A 6 79.386 4.363 -9.531 1.00 0.00 H new ATOM 0 HA3 GLY A 6 77.859 3.967 -8.768 1.00 0.00 H new ATOM 82 N LYS A 7 77.782 1.661 -10.502 1.00 0.00 N ATOM 83 CA LYS A 7 77.924 0.243 -10.785 1.00 0.00 C ATOM 84 C LYS A 7 79.043 0.030 -11.797 1.00 0.00 C ATOM 85 O LYS A 7 79.857 -0.880 -11.654 1.00 0.00 O ATOM 86 CB LYS A 7 76.611 -0.309 -11.348 1.00 0.00 C ATOM 87 CG LYS A 7 76.677 -1.843 -11.421 1.00 0.00 C ATOM 88 CD LYS A 7 75.907 -2.342 -12.650 1.00 0.00 C ATOM 89 CE LYS A 7 76.804 -2.269 -13.891 1.00 0.00 C ATOM 90 NZ LYS A 7 75.955 -2.247 -15.116 1.00 0.00 N1+ ATOM 0 H LYS A 7 76.906 2.072 -10.824 1.00 0.00 H new ATOM 0 HA LYS A 7 78.167 -0.282 -9.861 1.00 0.00 H new ATOM 0 HB2 LYS A 7 75.777 -0.002 -10.717 1.00 0.00 H new ATOM 0 HB3 LYS A 7 76.429 0.104 -12.340 1.00 0.00 H new ATOM 0 HG2 LYS A 7 77.716 -2.169 -11.475 1.00 0.00 H new ATOM 0 HG3 LYS A 7 76.254 -2.277 -10.515 1.00 0.00 H new ATOM 0 HD2 LYS A 7 75.575 -3.368 -12.490 1.00 0.00 H new ATOM 0 HD3 LYS A 7 75.013 -1.737 -12.800 1.00 0.00 H new ATOM 0 HE2 LYS A 7 77.427 -1.375 -13.851 1.00 0.00 H new ATOM 0 HE3 LYS A 7 77.477 -3.126 -13.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 76.563 -2.197 -15.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 75.379 -3.112 -15.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 75.330 -1.416 -15.090 1.00 0.00 H new ATOM 104 N LYS A 8 79.080 0.881 -12.820 1.00 0.00 N ATOM 105 CA LYS A 8 80.108 0.775 -13.850 1.00 0.00 C ATOM 106 C LYS A 8 81.502 0.904 -13.233 1.00 0.00 C ATOM 107 O LYS A 8 82.400 0.106 -13.518 1.00 0.00 O ATOM 108 CB LYS A 8 79.902 1.873 -14.899 1.00 0.00 C ATOM 109 CG LYS A 8 81.063 1.860 -15.909 1.00 0.00 C ATOM 110 CD LYS A 8 82.061 2.979 -15.580 1.00 0.00 C ATOM 111 CE LYS A 8 81.563 4.303 -16.167 1.00 0.00 C ATOM 112 NZ LYS A 8 81.669 4.258 -17.653 1.00 0.00 N1+ ATOM 0 H LYS A 8 78.417 1.644 -12.957 1.00 0.00 H new ATOM 0 HA LYS A 8 80.027 -0.203 -14.325 1.00 0.00 H new ATOM 0 HB2 LYS A 8 78.956 1.719 -15.418 1.00 0.00 H new ATOM 0 HB3 LYS A 8 79.844 2.846 -14.412 1.00 0.00 H new ATOM 0 HG2 LYS A 8 81.567 0.894 -15.883 1.00 0.00 H new ATOM 0 HG3 LYS A 8 80.677 1.992 -16.920 1.00 0.00 H new ATOM 0 HD2 LYS A 8 82.178 3.070 -14.500 1.00 0.00 H new ATOM 0 HD3 LYS A 8 83.042 2.736 -15.987 1.00 0.00 H new ATOM 0 HE2 LYS A 8 80.529 4.479 -15.871 1.00 0.00 H new ATOM 0 HE3 LYS A 8 82.152 5.132 -15.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 81.766 5.225 -18.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 82.502 3.698 -17.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 80.813 3.820 -18.049 1.00 0.00 H new ATOM 126 N ILE A 9 81.674 1.914 -12.388 1.00 0.00 N ATOM 127 CA ILE A 9 82.957 2.147 -11.738 1.00 0.00 C ATOM 128 C ILE A 9 83.289 1.019 -10.767 1.00 0.00 C ATOM 129 O ILE A 9 84.450 0.808 -10.421 1.00 0.00 O ATOM 130 CB ILE A 9 82.914 3.469 -10.972 1.00 0.00 C ATOM 131 CG1 ILE A 9 82.664 4.623 -11.946 1.00 0.00 C ATOM 132 CG2 ILE A 9 84.248 3.685 -10.258 1.00 0.00 C ATOM 133 CD1 ILE A 9 82.312 5.887 -11.158 1.00 0.00 C ATOM 0 H ILE A 9 80.944 2.582 -12.138 1.00 0.00 H new ATOM 0 HA ILE A 9 83.727 2.186 -12.509 1.00 0.00 H new ATOM 0 HB ILE A 9 82.108 3.436 -10.239 1.00 0.00 H new ATOM 0 HG12 ILE A 9 83.550 4.797 -12.556 1.00 0.00 H new ATOM 0 HG13 ILE A 9 81.853 4.369 -12.628 1.00 0.00 H new ATOM 0 HG21 ILE A 9 84.220 4.627 -9.711 1.00 0.00 H new ATOM 0 HG22 ILE A 9 84.424 2.866 -9.561 1.00 0.00 H new ATOM 0 HG23 ILE A 9 85.053 3.716 -10.992 1.00 0.00 H new ATOM 0 HD11 ILE A 9 82.134 6.710 -11.851 1.00 0.00 H new ATOM 0 HD12 ILE A 9 81.414 5.709 -10.567 1.00 0.00 H new ATOM 0 HD13 ILE A 9 83.138 6.144 -10.494 1.00 0.00 H new ATOM 145 N PHE A 10 82.265 0.308 -10.315 1.00 0.00 N ATOM 146 CA PHE A 10 82.467 -0.783 -9.364 1.00 0.00 C ATOM 147 C PHE A 10 82.908 -2.069 -10.068 1.00 0.00 C ATOM 148 O PHE A 10 83.903 -2.680 -9.684 1.00 0.00 O ATOM 149 CB PHE A 10 81.167 -1.042 -8.589 1.00 0.00 C ATOM 150 CG PHE A 10 81.152 -2.468 -8.086 1.00 0.00 C ATOM 151 CD1 PHE A 10 80.654 -3.489 -8.903 1.00 0.00 C ATOM 152 CD2 PHE A 10 81.651 -2.768 -6.815 1.00 0.00 C ATOM 153 CE1 PHE A 10 80.655 -4.813 -8.449 1.00 0.00 C ATOM 154 CE2 PHE A 10 81.651 -4.092 -6.359 1.00 0.00 C ATOM 155 CZ PHE A 10 81.154 -5.114 -7.177 1.00 0.00 C ATOM 0 H PHE A 10 81.294 0.463 -10.587 1.00 0.00 H new ATOM 0 HA PHE A 10 83.258 -0.485 -8.676 1.00 0.00 H new ATOM 0 HB2 PHE A 10 81.087 -0.349 -7.751 1.00 0.00 H new ATOM 0 HB3 PHE A 10 80.306 -0.864 -9.233 1.00 0.00 H new ATOM 0 HD1 PHE A 10 80.269 -3.255 -9.884 1.00 0.00 H new ATOM 0 HD2 PHE A 10 82.036 -1.979 -6.185 1.00 0.00 H new ATOM 0 HE1 PHE A 10 80.271 -5.601 -9.080 1.00 0.00 H new ATOM 0 HE2 PHE A 10 82.034 -4.325 -5.377 1.00 0.00 H new ATOM 0 HZ PHE A 10 81.156 -6.135 -6.826 1.00 0.00 H new ATOM 165 N VAL A 11 82.153 -2.483 -11.081 1.00 0.00 N ATOM 166 CA VAL A 11 82.469 -3.711 -11.806 1.00 0.00 C ATOM 167 C VAL A 11 83.894 -3.695 -12.330 1.00 0.00 C ATOM 168 O VAL A 11 84.530 -4.741 -12.458 1.00 0.00 O ATOM 169 CB VAL A 11 81.511 -3.897 -12.981 1.00 0.00 C ATOM 170 CG1 VAL A 11 80.089 -4.078 -12.457 1.00 0.00 C ATOM 171 CG2 VAL A 11 81.566 -2.663 -13.879 1.00 0.00 C ATOM 0 H VAL A 11 81.325 -1.992 -11.417 1.00 0.00 H new ATOM 0 HA VAL A 11 82.361 -4.539 -11.105 1.00 0.00 H new ATOM 0 HB VAL A 11 81.803 -4.779 -13.551 1.00 0.00 H new ATOM 0 HG11 VAL A 11 79.406 -4.211 -13.296 1.00 0.00 H new ATOM 0 HG12 VAL A 11 80.048 -4.957 -11.813 1.00 0.00 H new ATOM 0 HG13 VAL A 11 79.796 -3.196 -11.887 1.00 0.00 H new ATOM 0 HG21 VAL A 11 80.883 -2.793 -14.719 1.00 0.00 H new ATOM 0 HG22 VAL A 11 81.273 -1.783 -13.306 1.00 0.00 H new ATOM 0 HG23 VAL A 11 82.581 -2.531 -14.254 1.00 0.00 H new ATOM 181 N GLN A 12 84.384 -2.512 -12.664 1.00 0.00 N ATOM 182 CA GLN A 12 85.735 -2.399 -13.208 1.00 0.00 C ATOM 183 C GLN A 12 86.769 -2.038 -12.141 1.00 0.00 C ATOM 184 O GLN A 12 87.959 -2.299 -12.325 1.00 0.00 O ATOM 185 CB GLN A 12 85.765 -1.345 -14.315 1.00 0.00 C ATOM 186 CG GLN A 12 85.374 0.027 -13.750 1.00 0.00 C ATOM 187 CD GLN A 12 84.787 0.891 -14.858 1.00 0.00 C ATOM 188 OE1 GLN A 12 83.902 0.379 -15.666 1.00 0.00 O flip ATOM 189 NE2 GLN A 12 85.144 2.061 -14.991 1.00 0.00 N flip ATOM 0 H GLN A 12 83.881 -1.630 -12.572 1.00 0.00 H new ATOM 0 HA GLN A 12 85.999 -3.378 -13.608 1.00 0.00 H new ATOM 0 HB2 GLN A 12 86.762 -1.295 -14.753 1.00 0.00 H new ATOM 0 HB3 GLN A 12 85.079 -1.626 -15.114 1.00 0.00 H new ATOM 0 HG2 GLN A 12 84.647 -0.094 -12.946 1.00 0.00 H new ATOM 0 HG3 GLN A 12 86.248 0.516 -13.319 1.00 0.00 H new ATOM 0 HE21 GLN A 12 85.837 2.458 -14.356 1.00 0.00 H new ATOM 0 HE22 GLN A 12 84.747 2.634 -15.736 1.00 0.00 H new ATOM 198 N LYS A 13 86.338 -1.408 -11.049 1.00 0.00 N ATOM 199 CA LYS A 13 87.286 -0.996 -10.009 1.00 0.00 C ATOM 200 C LYS A 13 87.311 -1.919 -8.783 1.00 0.00 C ATOM 201 O LYS A 13 88.349 -2.499 -8.470 1.00 0.00 O ATOM 202 CB LYS A 13 86.980 0.438 -9.565 1.00 0.00 C ATOM 203 CG LYS A 13 88.225 1.055 -8.917 1.00 0.00 C ATOM 204 CD LYS A 13 88.015 2.563 -8.722 1.00 0.00 C ATOM 205 CE LYS A 13 88.498 3.318 -9.964 1.00 0.00 C ATOM 206 NZ LYS A 13 89.985 3.420 -9.935 1.00 0.00 N1+ ATOM 0 H LYS A 13 85.363 -1.175 -10.861 1.00 0.00 H new ATOM 0 HA LYS A 13 88.276 -1.060 -10.461 1.00 0.00 H new ATOM 0 HB2 LYS A 13 86.670 1.036 -10.422 1.00 0.00 H new ATOM 0 HB3 LYS A 13 86.151 0.441 -8.858 1.00 0.00 H new ATOM 0 HG2 LYS A 13 88.421 0.578 -7.956 1.00 0.00 H new ATOM 0 HG3 LYS A 13 89.099 0.878 -9.544 1.00 0.00 H new ATOM 0 HD2 LYS A 13 86.960 2.773 -8.545 1.00 0.00 H new ATOM 0 HD3 LYS A 13 88.560 2.905 -7.842 1.00 0.00 H new ATOM 0 HE2 LYS A 13 88.176 2.799 -10.867 1.00 0.00 H new ATOM 0 HE3 LYS A 13 88.055 4.313 -9.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 90.281 4.307 -10.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 90.315 3.410 -8.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 90.398 2.614 -10.446 1.00 0.00 H new ATOM 220 N CYS A 14 86.197 -2.009 -8.053 1.00 0.00 N ATOM 221 CA CYS A 14 86.167 -2.816 -6.823 1.00 0.00 C ATOM 222 C CYS A 14 85.890 -4.301 -7.063 1.00 0.00 C ATOM 223 O CYS A 14 86.437 -5.150 -6.361 1.00 0.00 O ATOM 224 CB CYS A 14 85.121 -2.258 -5.851 1.00 0.00 C ATOM 225 SG CYS A 14 85.043 -0.448 -5.984 1.00 0.00 S ATOM 0 H CYS A 14 85.318 -1.545 -8.282 1.00 0.00 H new ATOM 0 HA CYS A 14 87.168 -2.747 -6.397 1.00 0.00 H new ATOM 0 HB2 CYS A 14 84.144 -2.688 -6.070 1.00 0.00 H new ATOM 0 HB3 CYS A 14 85.373 -2.544 -4.830 1.00 0.00 H new ATOM 0 HG CYS A 14 84.151 0.010 -5.156 1.00 0.00 H new ATOM 230 N ALA A 15 85.040 -4.625 -8.024 1.00 0.00 N ATOM 231 CA ALA A 15 84.720 -6.026 -8.281 1.00 0.00 C ATOM 232 C ALA A 15 85.994 -6.865 -8.359 1.00 0.00 C ATOM 233 O ALA A 15 85.978 -8.063 -8.073 1.00 0.00 O ATOM 234 CB ALA A 15 83.937 -6.153 -9.587 1.00 0.00 C ATOM 0 H ALA A 15 84.566 -3.955 -8.630 1.00 0.00 H new ATOM 0 HA ALA A 15 84.109 -6.395 -7.457 1.00 0.00 H new ATOM 0 HB1 ALA A 15 83.703 -7.202 -9.770 1.00 0.00 H new ATOM 0 HB2 ALA A 15 83.011 -5.582 -9.513 1.00 0.00 H new ATOM 0 HB3 ALA A 15 84.537 -5.766 -10.410 1.00 0.00 H new ATOM 240 N GLN A 16 87.092 -6.228 -8.746 1.00 0.00 N ATOM 241 CA GLN A 16 88.371 -6.924 -8.863 1.00 0.00 C ATOM 242 C GLN A 16 88.656 -7.779 -7.625 1.00 0.00 C ATOM 243 O GLN A 16 88.871 -8.985 -7.739 1.00 0.00 O ATOM 244 CB GLN A 16 89.499 -5.907 -9.062 1.00 0.00 C ATOM 245 CG GLN A 16 89.658 -5.595 -10.553 1.00 0.00 C ATOM 246 CD GLN A 16 90.764 -4.565 -10.755 1.00 0.00 C ATOM 247 OE1 GLN A 16 91.780 -4.859 -11.384 1.00 0.00 O ATOM 248 NE2 GLN A 16 90.627 -3.367 -10.256 1.00 0.00 N ATOM 0 H GLN A 16 87.125 -5.237 -8.983 1.00 0.00 H new ATOM 0 HA GLN A 16 88.318 -7.587 -9.727 1.00 0.00 H new ATOM 0 HB2 GLN A 16 89.278 -4.993 -8.511 1.00 0.00 H new ATOM 0 HB3 GLN A 16 90.433 -6.303 -8.662 1.00 0.00 H new ATOM 0 HG2 GLN A 16 89.895 -6.507 -11.101 1.00 0.00 H new ATOM 0 HG3 GLN A 16 88.719 -5.216 -10.956 1.00 0.00 H new ATOM 0 HE21 GLN A 16 89.784 -3.125 -9.735 1.00 0.00 H new ATOM 0 HE22 GLN A 16 91.363 -2.673 -10.387 1.00 0.00 H new ATOM 257 N CYS A 17 88.670 -7.153 -6.446 1.00 0.00 N ATOM 258 CA CYS A 17 88.949 -7.885 -5.208 1.00 0.00 C ATOM 259 C CYS A 17 87.874 -7.623 -4.147 1.00 0.00 C ATOM 260 O CYS A 17 88.186 -7.245 -3.017 1.00 0.00 O ATOM 261 CB CYS A 17 90.331 -7.486 -4.654 1.00 0.00 C ATOM 262 SG CYS A 17 91.330 -6.731 -5.966 1.00 0.00 S ATOM 0 H CYS A 17 88.494 -6.156 -6.322 1.00 0.00 H new ATOM 0 HA CYS A 17 88.943 -8.949 -5.444 1.00 0.00 H new ATOM 0 HB2 CYS A 17 90.212 -6.786 -3.827 1.00 0.00 H new ATOM 0 HB3 CYS A 17 90.840 -8.364 -4.257 1.00 0.00 H new ATOM 0 HG CYS A 17 92.492 -6.396 -5.489 1.00 0.00 H new ATOM 267 N HIS A 18 86.608 -7.838 -4.503 1.00 0.00 N ATOM 268 CA HIS A 18 85.518 -7.628 -3.550 1.00 0.00 C ATOM 269 C HIS A 18 84.273 -8.415 -3.958 1.00 0.00 C ATOM 270 O HIS A 18 84.284 -9.150 -4.946 1.00 0.00 O ATOM 271 CB HIS A 18 85.174 -6.137 -3.453 1.00 0.00 C ATOM 272 CG HIS A 18 86.121 -5.451 -2.503 1.00 0.00 C ATOM 273 ND1 HIS A 18 87.304 -4.792 -2.711 1.00 0.00 N flip ATOM 274 CD2 HIS A 18 85.883 -5.377 -1.140 1.00 0.00 C flip ATOM 275 CE1 HIS A 18 87.798 -4.309 -1.501 1.00 0.00 C flip ATOM 276 NE2 HIS A 18 86.901 -4.691 -0.587 1.00 0.00 N flip ATOM 0 H HIS A 18 86.314 -8.152 -5.428 1.00 0.00 H new ATOM 0 HA HIS A 18 85.853 -7.986 -2.576 1.00 0.00 H new ATOM 0 HB2 HIS A 18 85.237 -5.676 -4.439 1.00 0.00 H new ATOM 0 HB3 HIS A 18 84.147 -6.014 -3.108 1.00 0.00 H new ATOM 0 HD2 HIS A 18 85.035 -5.794 -0.617 1.00 0.00 H new ATOM 0 HE1 HIS A 18 88.707 -3.749 -1.338 1.00 0.00 H new ATOM 0 HE2 HIS A 18 86.978 -4.487 0.409 1.00 0.00 H new ATOM 284 N THR A 19 83.202 -8.256 -3.179 1.00 0.00 N ATOM 285 CA THR A 19 81.946 -8.956 -3.449 1.00 0.00 C ATOM 286 C THR A 19 80.759 -8.000 -3.291 1.00 0.00 C ATOM 287 O THR A 19 79.829 -8.010 -4.099 1.00 0.00 O ATOM 288 CB THR A 19 81.805 -10.137 -2.477 1.00 0.00 C ATOM 289 OG1 THR A 19 83.049 -10.356 -1.827 1.00 0.00 O ATOM 290 CG2 THR A 19 81.407 -11.401 -3.241 1.00 0.00 C ATOM 0 H THR A 19 83.179 -7.650 -2.358 1.00 0.00 H new ATOM 0 HA THR A 19 81.955 -9.327 -4.474 1.00 0.00 H new ATOM 0 HB THR A 19 81.034 -9.906 -1.742 1.00 0.00 H new ATOM 0 HG1 THR A 19 83.128 -11.302 -1.582 1.00 0.00 H new ATOM 0 HG21 THR A 19 81.310 -12.233 -2.543 1.00 0.00 H new ATOM 0 HG22 THR A 19 80.455 -11.237 -3.745 1.00 0.00 H new ATOM 0 HG23 THR A 19 82.173 -11.636 -3.980 1.00 0.00 H new ATOM 298 N VAL A 20 80.809 -7.179 -2.248 1.00 0.00 N ATOM 299 CA VAL A 20 79.754 -6.205 -1.973 1.00 0.00 C ATOM 300 C VAL A 20 78.364 -6.798 -2.180 1.00 0.00 C ATOM 301 O VAL A 20 77.405 -6.066 -2.421 1.00 0.00 O ATOM 302 CB VAL A 20 79.926 -4.971 -2.864 1.00 0.00 C ATOM 303 CG1 VAL A 20 81.359 -4.451 -2.742 1.00 0.00 C ATOM 304 CG2 VAL A 20 79.651 -5.337 -4.322 1.00 0.00 C ATOM 0 H VAL A 20 81.574 -7.168 -1.573 1.00 0.00 H new ATOM 0 HA VAL A 20 79.843 -5.917 -0.926 1.00 0.00 H new ATOM 0 HB VAL A 20 79.223 -4.202 -2.545 1.00 0.00 H new ATOM 0 HG11 VAL A 20 81.483 -3.573 -3.376 1.00 0.00 H new ATOM 0 HG12 VAL A 20 81.561 -4.182 -1.705 1.00 0.00 H new ATOM 0 HG13 VAL A 20 82.056 -5.227 -3.058 1.00 0.00 H new ATOM 0 HG21 VAL A 20 79.776 -4.454 -4.949 1.00 0.00 H new ATOM 0 HG22 VAL A 20 80.350 -6.110 -4.641 1.00 0.00 H new ATOM 0 HG23 VAL A 20 78.631 -5.709 -4.418 1.00 0.00 H new ATOM 314 N GLU A 21 78.251 -8.120 -2.078 1.00 0.00 N ATOM 315 CA GLU A 21 76.959 -8.780 -2.250 1.00 0.00 C ATOM 316 C GLU A 21 76.598 -9.575 -0.998 1.00 0.00 C ATOM 317 O GLU A 21 77.303 -10.507 -0.614 1.00 0.00 O ATOM 318 CB GLU A 21 76.993 -9.701 -3.477 1.00 0.00 C ATOM 319 CG GLU A 21 77.726 -11.001 -3.141 1.00 0.00 C ATOM 320 CD GLU A 21 78.147 -11.708 -4.426 1.00 0.00 C ATOM 321 OE1 GLU A 21 77.755 -11.251 -5.487 1.00 0.00 O1- ATOM 322 OE2 GLU A 21 78.856 -12.697 -4.329 1.00 0.00 O ATOM 0 H GLU A 21 79.029 -8.750 -1.879 1.00 0.00 H new ATOM 0 HA GLU A 21 76.196 -8.018 -2.408 1.00 0.00 H new ATOM 0 HB2 GLU A 21 75.977 -9.922 -3.803 1.00 0.00 H new ATOM 0 HB3 GLU A 21 77.491 -9.197 -4.305 1.00 0.00 H new ATOM 0 HG2 GLU A 21 78.603 -10.787 -2.530 1.00 0.00 H new ATOM 0 HG3 GLU A 21 77.079 -11.652 -2.553 1.00 0.00 H new ATOM 329 N LYS A 22 75.498 -9.189 -0.358 1.00 0.00 N ATOM 330 CA LYS A 22 75.055 -9.863 0.856 1.00 0.00 C ATOM 331 C LYS A 22 74.794 -11.341 0.588 1.00 0.00 C ATOM 332 O LYS A 22 74.309 -11.713 -0.479 1.00 0.00 O ATOM 333 CB LYS A 22 73.779 -9.202 1.386 1.00 0.00 C ATOM 334 CG LYS A 22 73.392 -9.824 2.736 1.00 0.00 C ATOM 335 CD LYS A 22 72.728 -8.764 3.619 1.00 0.00 C ATOM 336 CE LYS A 22 71.473 -8.232 2.924 1.00 0.00 C ATOM 337 NZ LYS A 22 70.654 -7.459 3.901 1.00 0.00 N1+ ATOM 0 H LYS A 22 74.901 -8.418 -0.658 1.00 0.00 H new ATOM 0 HA LYS A 22 75.844 -9.778 1.603 1.00 0.00 H new ATOM 0 HB2 LYS A 22 73.935 -8.129 1.501 1.00 0.00 H new ATOM 0 HB3 LYS A 22 72.967 -9.331 0.670 1.00 0.00 H new ATOM 0 HG2 LYS A 22 72.711 -10.661 2.580 1.00 0.00 H new ATOM 0 HG3 LYS A 22 74.278 -10.222 3.232 1.00 0.00 H new ATOM 0 HD2 LYS A 22 72.466 -9.193 4.586 1.00 0.00 H new ATOM 0 HD3 LYS A 22 73.424 -7.947 3.811 1.00 0.00 H new ATOM 0 HE2 LYS A 22 71.752 -7.596 2.083 1.00 0.00 H new ATOM 0 HE3 LYS A 22 70.890 -9.059 2.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 69.801 -7.097 3.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 70.377 -8.079 4.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 71.212 -6.661 4.267 1.00 0.00 H new ATOM 351 N GLY A 23 75.123 -12.179 1.565 1.00 0.00 N ATOM 352 CA GLY A 23 74.925 -13.616 1.426 1.00 0.00 C ATOM 353 C GLY A 23 75.908 -14.207 0.423 1.00 0.00 C ATOM 354 O GLY A 23 75.706 -15.310 -0.085 1.00 0.00 O ATOM 0 H GLY A 23 75.526 -11.890 2.456 1.00 0.00 H new ATOM 0 HA2 GLY A 23 75.053 -14.100 2.394 1.00 0.00 H new ATOM 0 HA3 GLY A 23 73.904 -13.817 1.102 1.00 0.00 H new ATOM 358 N GLY A 24 76.976 -13.465 0.146 1.00 0.00 N ATOM 359 CA GLY A 24 77.990 -13.923 -0.797 1.00 0.00 C ATOM 360 C GLY A 24 79.172 -14.542 -0.064 1.00 0.00 C ATOM 361 O GLY A 24 79.001 -15.253 0.925 1.00 0.00 O ATOM 0 H GLY A 24 77.161 -12.550 0.558 1.00 0.00 H new ATOM 0 HA2 GLY A 24 77.555 -14.655 -1.478 1.00 0.00 H new ATOM 0 HA3 GLY A 24 78.332 -13.085 -1.405 1.00 0.00 H new ATOM 365 N LYS A 25 80.374 -14.264 -0.557 1.00 0.00 N ATOM 366 CA LYS A 25 81.585 -14.795 0.057 1.00 0.00 C ATOM 367 C LYS A 25 82.763 -13.857 -0.187 1.00 0.00 C ATOM 368 O LYS A 25 82.901 -13.282 -1.266 1.00 0.00 O ATOM 369 CB LYS A 25 81.902 -16.181 -0.516 1.00 0.00 C ATOM 370 CG LYS A 25 81.862 -16.138 -2.052 1.00 0.00 C ATOM 371 CD LYS A 25 80.480 -16.571 -2.554 1.00 0.00 C ATOM 372 CE LYS A 25 80.481 -16.610 -4.084 1.00 0.00 C ATOM 373 NZ LYS A 25 81.195 -17.832 -4.549 1.00 0.00 N1+ ATOM 0 H LYS A 25 80.535 -13.677 -1.376 1.00 0.00 H new ATOM 0 HA LYS A 25 81.418 -14.879 1.131 1.00 0.00 H new ATOM 0 HB2 LYS A 25 82.886 -16.506 -0.179 1.00 0.00 H new ATOM 0 HB3 LYS A 25 81.181 -16.910 -0.146 1.00 0.00 H new ATOM 0 HG2 LYS A 25 82.085 -15.130 -2.401 1.00 0.00 H new ATOM 0 HG3 LYS A 25 82.629 -16.795 -2.462 1.00 0.00 H new ATOM 0 HD2 LYS A 25 80.228 -17.553 -2.155 1.00 0.00 H new ATOM 0 HD3 LYS A 25 79.718 -15.877 -2.198 1.00 0.00 H new ATOM 0 HE2 LYS A 25 79.458 -16.609 -4.459 1.00 0.00 H new ATOM 0 HE3 LYS A 25 80.967 -15.719 -4.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 81.024 -17.968 -5.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 82.216 -17.723 -4.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 80.845 -18.659 -4.025 1.00 0.00 H new ATOM 387 N HIS A 26 83.611 -13.707 0.825 1.00 0.00 N ATOM 388 CA HIS A 26 84.775 -12.836 0.710 1.00 0.00 C ATOM 389 C HIS A 26 85.605 -13.223 -0.509 1.00 0.00 C ATOM 390 O HIS A 26 86.102 -14.346 -0.603 1.00 0.00 O ATOM 391 CB HIS A 26 85.637 -12.939 1.973 1.00 0.00 C ATOM 392 CG HIS A 26 84.763 -13.224 3.163 1.00 0.00 C ATOM 393 ND1 HIS A 26 84.499 -14.514 3.595 1.00 0.00 N ATOM 394 CD2 HIS A 26 84.084 -12.395 4.023 1.00 0.00 C ATOM 395 CE1 HIS A 26 83.695 -14.427 4.670 1.00 0.00 C ATOM 396 NE2 HIS A 26 83.412 -13.158 4.974 1.00 0.00 N ATOM 0 H HIS A 26 83.516 -14.173 1.727 1.00 0.00 H new ATOM 0 HA HIS A 26 84.430 -11.809 0.594 1.00 0.00 H new ATOM 0 HB2 HIS A 26 86.377 -13.730 1.856 1.00 0.00 H new ATOM 0 HB3 HIS A 26 86.186 -12.010 2.127 1.00 0.00 H new ATOM 0 HD2 HIS A 26 84.073 -11.316 3.969 1.00 0.00 H new ATOM 0 HE1 HIS A 26 83.324 -15.279 5.220 1.00 0.00 H new ATOM 0 HE2 HIS A 26 82.828 -12.820 5.739 1.00 0.00 H new ATOM 405 N LYS A 27 85.748 -12.287 -1.442 1.00 0.00 N ATOM 406 CA LYS A 27 86.518 -12.535 -2.659 1.00 0.00 C ATOM 407 C LYS A 27 87.806 -11.713 -2.648 1.00 0.00 C ATOM 408 O LYS A 27 87.804 -10.535 -3.002 1.00 0.00 O ATOM 409 CB LYS A 27 85.673 -12.169 -3.889 1.00 0.00 C ATOM 410 CG LYS A 27 85.950 -13.159 -5.030 1.00 0.00 C ATOM 411 CD LYS A 27 85.313 -14.522 -4.715 1.00 0.00 C ATOM 412 CE LYS A 27 84.883 -15.204 -6.017 1.00 0.00 C ATOM 413 NZ LYS A 27 86.008 -15.163 -6.994 1.00 0.00 N1+ ATOM 0 H LYS A 27 85.343 -11.353 -1.381 1.00 0.00 H new ATOM 0 HA LYS A 27 86.779 -13.592 -2.703 1.00 0.00 H new ATOM 0 HB2 LYS A 27 84.614 -12.186 -3.631 1.00 0.00 H new ATOM 0 HB3 LYS A 27 85.906 -11.154 -4.212 1.00 0.00 H new ATOM 0 HG2 LYS A 27 85.549 -12.769 -5.965 1.00 0.00 H new ATOM 0 HG3 LYS A 27 87.025 -13.275 -5.168 1.00 0.00 H new ATOM 0 HD2 LYS A 27 86.024 -15.152 -4.181 1.00 0.00 H new ATOM 0 HD3 LYS A 27 84.451 -14.389 -4.061 1.00 0.00 H new ATOM 0 HE2 LYS A 27 84.595 -16.237 -5.821 1.00 0.00 H new ATOM 0 HE3 LYS A 27 84.009 -14.702 -6.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 85.898 -15.934 -7.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 86.002 -14.250 -7.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 86.910 -15.276 -6.489 1.00 0.00 H new ATOM 427 N THR A 28 88.900 -12.344 -2.236 1.00 0.00 N ATOM 428 CA THR A 28 90.186 -11.659 -2.182 1.00 0.00 C ATOM 429 C THR A 28 90.037 -10.312 -1.479 1.00 0.00 C ATOM 430 O THR A 28 90.792 -9.375 -1.738 1.00 0.00 O ATOM 431 CB THR A 28 90.722 -11.447 -3.601 1.00 0.00 C ATOM 432 OG1 THR A 28 90.446 -12.600 -4.384 1.00 0.00 O ATOM 433 CG2 THR A 28 92.235 -11.207 -3.559 1.00 0.00 C ATOM 0 H THR A 28 88.923 -13.319 -1.937 1.00 0.00 H new ATOM 0 HA THR A 28 90.889 -12.274 -1.620 1.00 0.00 H new ATOM 0 HB THR A 28 90.236 -10.577 -4.043 1.00 0.00 H new ATOM 0 HG1 THR A 28 90.786 -12.467 -5.293 1.00 0.00 H new ATOM 0 HG21 THR A 28 92.608 -11.057 -4.572 1.00 0.00 H new ATOM 0 HG22 THR A 28 92.446 -10.321 -2.960 1.00 0.00 H new ATOM 0 HG23 THR A 28 92.728 -12.072 -3.115 1.00 0.00 H new ATOM 441 N GLY A 29 89.055 -10.227 -0.588 1.00 0.00 N ATOM 442 CA GLY A 29 88.806 -8.995 0.152 1.00 0.00 C ATOM 443 C GLY A 29 87.628 -9.166 1.105 1.00 0.00 C ATOM 444 O GLY A 29 86.842 -10.104 0.970 1.00 0.00 O ATOM 0 H GLY A 29 88.421 -10.993 -0.361 1.00 0.00 H new ATOM 0 HA2 GLY A 29 89.697 -8.716 0.714 1.00 0.00 H new ATOM 0 HA3 GLY A 29 88.601 -8.182 -0.544 1.00 0.00 H new ATOM 448 N PRO A 30 87.494 -8.283 2.056 1.00 0.00 N ATOM 449 CA PRO A 30 86.386 -8.337 3.055 1.00 0.00 C ATOM 450 C PRO A 30 85.035 -7.988 2.432 1.00 0.00 C ATOM 451 O PRO A 30 84.956 -7.182 1.506 1.00 0.00 O ATOM 452 CB PRO A 30 86.793 -7.295 4.103 1.00 0.00 C ATOM 453 CG PRO A 30 87.665 -6.328 3.371 1.00 0.00 C ATOM 454 CD PRO A 30 88.384 -7.134 2.287 1.00 0.00 C ATOM 0 HA PRO A 30 86.255 -9.336 3.471 1.00 0.00 H new ATOM 0 HB2 PRO A 30 85.919 -6.797 4.524 1.00 0.00 H new ATOM 0 HB3 PRO A 30 87.327 -7.758 4.933 1.00 0.00 H new ATOM 0 HG2 PRO A 30 87.072 -5.526 2.931 1.00 0.00 H new ATOM 0 HG3 PRO A 30 88.381 -5.861 4.047 1.00 0.00 H new ATOM 0 HD2 PRO A 30 88.524 -6.547 1.379 1.00 0.00 H new ATOM 0 HD3 PRO A 30 89.373 -7.454 2.616 1.00 0.00 H new ATOM 462 N ASN A 31 83.975 -8.603 2.949 1.00 0.00 N ATOM 463 CA ASN A 31 82.634 -8.347 2.438 1.00 0.00 C ATOM 464 C ASN A 31 82.109 -7.018 2.969 1.00 0.00 C ATOM 465 O ASN A 31 81.981 -6.828 4.177 1.00 0.00 O ATOM 466 CB ASN A 31 81.692 -9.482 2.852 1.00 0.00 C ATOM 467 CG ASN A 31 81.335 -9.357 4.331 1.00 0.00 C ATOM 468 OD1 ASN A 31 80.184 -9.087 4.671 1.00 0.00 O ATOM 469 ND2 ASN A 31 82.259 -9.539 5.233 1.00 0.00 N ATOM 0 H ASN A 31 84.018 -9.276 3.714 1.00 0.00 H new ATOM 0 HA ASN A 31 82.678 -8.297 1.350 1.00 0.00 H new ATOM 0 HB2 ASN A 31 80.785 -9.451 2.248 1.00 0.00 H new ATOM 0 HB3 ASN A 31 82.167 -10.445 2.665 1.00 0.00 H new ATOM 0 HD21 ASN A 31 82.028 -9.458 6.223 1.00 0.00 H new ATOM 0 HD22 ASN A 31 83.213 -9.763 4.948 1.00 0.00 H new ATOM 476 N LEU A 32 81.813 -6.098 2.058 1.00 0.00 N ATOM 477 CA LEU A 32 81.312 -4.785 2.447 1.00 0.00 C ATOM 478 C LEU A 32 79.820 -4.843 2.774 1.00 0.00 C ATOM 479 O LEU A 32 79.090 -3.878 2.549 1.00 0.00 O ATOM 480 CB LEU A 32 81.548 -3.765 1.324 1.00 0.00 C ATOM 481 CG LEU A 32 82.978 -3.885 0.768 1.00 0.00 C ATOM 482 CD1 LEU A 32 83.346 -2.599 0.022 1.00 0.00 C ATOM 483 CD2 LEU A 32 83.978 -4.099 1.908 1.00 0.00 C ATOM 0 H LEU A 32 81.910 -6.235 1.052 1.00 0.00 H new ATOM 0 HA LEU A 32 81.856 -4.474 3.339 1.00 0.00 H new ATOM 0 HB2 LEU A 32 80.827 -3.926 0.523 1.00 0.00 H new ATOM 0 HB3 LEU A 32 81.384 -2.756 1.703 1.00 0.00 H new ATOM 0 HG LEU A 32 83.017 -4.738 0.090 1.00 0.00 H new ATOM 0 HD11 LEU A 32 84.359 -2.684 -0.372 1.00 0.00 H new ATOM 0 HD12 LEU A 32 82.648 -2.444 -0.801 1.00 0.00 H new ATOM 0 HD13 LEU A 32 83.293 -1.753 0.707 1.00 0.00 H new ATOM 0 HD21 LEU A 32 84.985 -4.182 1.498 1.00 0.00 H new ATOM 0 HD22 LEU A 32 83.934 -3.253 2.594 1.00 0.00 H new ATOM 0 HD23 LEU A 32 83.728 -5.014 2.444 1.00 0.00 H new ATOM 495 N HIS A 33 79.374 -5.973 3.313 1.00 0.00 N ATOM 496 CA HIS A 33 77.967 -6.131 3.675 1.00 0.00 C ATOM 497 C HIS A 33 77.577 -5.091 4.720 1.00 0.00 C ATOM 498 O HIS A 33 78.339 -4.825 5.649 1.00 0.00 O ATOM 499 CB HIS A 33 77.722 -7.531 4.243 1.00 0.00 C ATOM 500 CG HIS A 33 78.038 -8.568 3.202 1.00 0.00 C ATOM 501 ND1 HIS A 33 78.197 -9.909 3.522 1.00 0.00 N ATOM 502 CD2 HIS A 33 78.220 -8.485 1.844 1.00 0.00 C ATOM 503 CE1 HIS A 33 78.462 -10.570 2.381 1.00 0.00 C ATOM 504 NE2 HIS A 33 78.487 -9.750 1.328 1.00 0.00 N ATOM 0 H HIS A 33 79.958 -6.786 3.508 1.00 0.00 H new ATOM 0 HA HIS A 33 77.361 -5.993 2.779 1.00 0.00 H new ATOM 0 HB2 HIS A 33 78.342 -7.688 5.126 1.00 0.00 H new ATOM 0 HB3 HIS A 33 76.684 -7.627 4.561 1.00 0.00 H new ATOM 0 HD2 HIS A 33 78.164 -7.576 1.264 1.00 0.00 H new ATOM 0 HE1 HIS A 33 78.634 -11.635 2.324 1.00 0.00 H new ATOM 0 HE2 HIS A 33 78.664 -9.997 0.354 1.00 0.00 H new ATOM 513 N GLY A 34 76.392 -4.499 4.566 1.00 0.00 N ATOM 514 CA GLY A 34 75.928 -3.485 5.514 1.00 0.00 C ATOM 515 C GLY A 34 77.097 -2.639 6.006 1.00 0.00 C ATOM 516 O GLY A 34 77.100 -2.150 7.135 1.00 0.00 O ATOM 0 H GLY A 34 75.744 -4.700 3.805 1.00 0.00 H new ATOM 0 HA2 GLY A 34 75.184 -2.846 5.037 1.00 0.00 H new ATOM 0 HA3 GLY A 34 75.439 -3.967 6.360 1.00 0.00 H new ATOM 520 N LEU A 35 78.093 -2.486 5.142 1.00 0.00 N ATOM 521 CA LEU A 35 79.286 -1.717 5.468 1.00 0.00 C ATOM 522 C LEU A 35 78.921 -0.415 6.182 1.00 0.00 C ATOM 523 O LEU A 35 79.375 -0.153 7.294 1.00 0.00 O ATOM 524 CB LEU A 35 80.041 -1.410 4.167 1.00 0.00 C ATOM 525 CG LEU A 35 81.237 -0.476 4.431 1.00 0.00 C ATOM 526 CD1 LEU A 35 82.507 -1.305 4.638 1.00 0.00 C ATOM 527 CD2 LEU A 35 81.440 0.453 3.228 1.00 0.00 C ATOM 0 H LEU A 35 78.097 -2.888 4.204 1.00 0.00 H new ATOM 0 HA LEU A 35 79.916 -2.299 6.140 1.00 0.00 H new ATOM 0 HB2 LEU A 35 80.393 -2.339 3.718 1.00 0.00 H new ATOM 0 HB3 LEU A 35 79.364 -0.946 3.450 1.00 0.00 H new ATOM 0 HG LEU A 35 81.035 0.114 5.325 1.00 0.00 H new ATOM 0 HD11 LEU A 35 83.350 -0.639 4.824 1.00 0.00 H new ATOM 0 HD12 LEU A 35 82.373 -1.969 5.492 1.00 0.00 H new ATOM 0 HD13 LEU A 35 82.704 -1.898 3.745 1.00 0.00 H new ATOM 0 HD21 LEU A 35 82.287 1.113 3.417 1.00 0.00 H new ATOM 0 HD22 LEU A 35 81.636 -0.143 2.337 1.00 0.00 H new ATOM 0 HD23 LEU A 35 80.541 1.050 3.074 1.00 0.00 H new ATOM 539 N PHE A 36 78.108 0.397 5.530 1.00 0.00 N ATOM 540 CA PHE A 36 77.702 1.675 6.101 1.00 0.00 C ATOM 541 C PHE A 36 77.109 1.497 7.498 1.00 0.00 C ATOM 542 O PHE A 36 75.902 1.299 7.647 1.00 0.00 O ATOM 543 CB PHE A 36 76.675 2.351 5.185 1.00 0.00 C ATOM 544 CG PHE A 36 77.182 2.337 3.759 1.00 0.00 C ATOM 545 CD1 PHE A 36 77.043 1.181 2.978 1.00 0.00 C ATOM 546 CD2 PHE A 36 77.798 3.473 3.219 1.00 0.00 C ATOM 547 CE1 PHE A 36 77.521 1.163 1.663 1.00 0.00 C ATOM 548 CE2 PHE A 36 78.276 3.453 1.906 1.00 0.00 C ATOM 549 CZ PHE A 36 78.139 2.298 1.127 1.00 0.00 C ATOM 0 H PHE A 36 77.716 0.199 4.609 1.00 0.00 H new ATOM 0 HA PHE A 36 78.589 2.303 6.186 1.00 0.00 H new ATOM 0 HB2 PHE A 36 75.719 1.831 5.247 1.00 0.00 H new ATOM 0 HB3 PHE A 36 76.502 3.377 5.510 1.00 0.00 H new ATOM 0 HD1 PHE A 36 76.567 0.304 3.391 1.00 0.00 H new ATOM 0 HD2 PHE A 36 77.904 4.365 3.818 1.00 0.00 H new ATOM 0 HE1 PHE A 36 77.413 0.273 1.062 1.00 0.00 H new ATOM 0 HE2 PHE A 36 78.752 4.330 1.492 1.00 0.00 H new ATOM 0 HZ PHE A 36 78.510 2.283 0.113 1.00 0.00 H new ATOM 559 N GLY A 37 77.960 1.588 8.524 1.00 0.00 N ATOM 560 CA GLY A 37 77.491 1.453 9.904 1.00 0.00 C ATOM 561 C GLY A 37 78.484 0.701 10.794 1.00 0.00 C ATOM 562 O GLY A 37 78.502 0.897 12.009 1.00 0.00 O ATOM 0 H GLY A 37 78.962 1.752 8.427 1.00 0.00 H new ATOM 0 HA2 GLY A 37 77.313 2.444 10.322 1.00 0.00 H new ATOM 0 HA3 GLY A 37 76.535 0.929 9.909 1.00 0.00 H new ATOM 566 N ARG A 38 79.294 -0.170 10.200 1.00 0.00 N ATOM 567 CA ARG A 38 80.262 -0.949 10.980 1.00 0.00 C ATOM 568 C ARG A 38 81.587 -0.200 11.140 1.00 0.00 C ATOM 569 O ARG A 38 81.917 0.681 10.345 1.00 0.00 O ATOM 570 CB ARG A 38 80.521 -2.301 10.296 1.00 0.00 C ATOM 571 CG ARG A 38 79.680 -3.406 10.952 1.00 0.00 C ATOM 572 CD ARG A 38 80.185 -4.777 10.488 1.00 0.00 C ATOM 573 NE ARG A 38 79.672 -5.078 9.152 1.00 0.00 N ATOM 574 CZ ARG A 38 80.415 -5.704 8.237 1.00 0.00 C ATOM 575 NH1 ARG A 38 81.639 -6.067 8.508 1.00 0.00 N ATOM 576 NH2 ARG A 38 79.910 -5.961 7.062 1.00 0.00 N1+ ATOM 0 H ARG A 38 79.304 -0.356 9.197 1.00 0.00 H new ATOM 0 HA ARG A 38 79.837 -1.109 11.971 1.00 0.00 H new ATOM 0 HB2 ARG A 38 80.277 -2.231 9.236 1.00 0.00 H new ATOM 0 HB3 ARG A 38 81.579 -2.553 10.364 1.00 0.00 H new ATOM 0 HG2 ARG A 38 79.745 -3.331 12.037 1.00 0.00 H new ATOM 0 HG3 ARG A 38 78.630 -3.285 10.686 1.00 0.00 H new ATOM 0 HD2 ARG A 38 81.275 -4.787 10.478 1.00 0.00 H new ATOM 0 HD3 ARG A 38 79.866 -5.547 11.190 1.00 0.00 H new ATOM 0 HE ARG A 38 78.720 -4.802 8.913 1.00 0.00 H new ATOM 0 HH11 ARG A 38 82.037 -5.873 9.427 1.00 0.00 H new ATOM 0 HH12 ARG A 38 82.198 -6.545 7.801 1.00 0.00 H new ATOM 0 HH21 ARG A 38 78.952 -5.684 6.847 1.00 0.00 H new ATOM 0 HH22 ARG A 38 80.473 -6.439 6.358 1.00 0.00 H new ATOM 590 N LYS A 39 82.342 -0.569 12.176 1.00 0.00 N ATOM 591 CA LYS A 39 83.634 0.058 12.449 1.00 0.00 C ATOM 592 C LYS A 39 84.716 -0.514 11.532 1.00 0.00 C ATOM 593 O LYS A 39 84.525 -1.559 10.911 1.00 0.00 O ATOM 594 CB LYS A 39 84.025 -0.172 13.915 1.00 0.00 C ATOM 595 CG LYS A 39 83.464 0.956 14.794 1.00 0.00 C ATOM 596 CD LYS A 39 84.427 2.150 14.792 1.00 0.00 C ATOM 597 CE LYS A 39 83.971 3.175 15.833 1.00 0.00 C ATOM 598 NZ LYS A 39 84.312 2.684 17.198 1.00 0.00 N1+ ATOM 0 H LYS A 39 82.080 -1.299 12.839 1.00 0.00 H new ATOM 0 HA LYS A 39 83.546 1.128 12.259 1.00 0.00 H new ATOM 0 HB2 LYS A 39 83.641 -1.134 14.255 1.00 0.00 H new ATOM 0 HB3 LYS A 39 85.110 -0.211 14.008 1.00 0.00 H new ATOM 0 HG2 LYS A 39 82.487 1.266 14.423 1.00 0.00 H new ATOM 0 HG3 LYS A 39 83.319 0.597 15.813 1.00 0.00 H new ATOM 0 HD2 LYS A 39 85.440 1.814 15.016 1.00 0.00 H new ATOM 0 HD3 LYS A 39 84.454 2.608 13.803 1.00 0.00 H new ATOM 0 HE2 LYS A 39 84.454 4.135 15.649 1.00 0.00 H new ATOM 0 HE3 LYS A 39 82.896 3.338 15.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 84.274 3.476 17.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 83.630 1.953 17.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 85.270 2.280 17.192 1.00 0.00 H new ATOM 612 N THR A 40 85.848 0.184 11.450 1.00 0.00 N ATOM 613 CA THR A 40 86.953 -0.254 10.600 1.00 0.00 C ATOM 614 C THR A 40 87.536 -1.579 11.077 1.00 0.00 C ATOM 615 O THR A 40 87.678 -1.815 12.277 1.00 0.00 O ATOM 616 CB THR A 40 88.049 0.815 10.580 1.00 0.00 C ATOM 617 OG1 THR A 40 88.307 1.254 11.905 1.00 0.00 O ATOM 618 CG2 THR A 40 87.593 2.002 9.728 1.00 0.00 C ATOM 0 H THR A 40 86.023 1.050 11.959 1.00 0.00 H new ATOM 0 HA THR A 40 86.562 -0.401 9.593 1.00 0.00 H new ATOM 0 HB THR A 40 88.959 0.392 10.154 1.00 0.00 H new ATOM 0 HG1 THR A 40 89.272 1.378 12.027 1.00 0.00 H new ATOM 0 HG21 THR A 40 88.374 2.762 9.715 1.00 0.00 H new ATOM 0 HG22 THR A 40 87.397 1.665 8.710 1.00 0.00 H new ATOM 0 HG23 THR A 40 86.682 2.425 10.152 1.00 0.00 H new ATOM 626 N GLY A 41 87.885 -2.436 10.118 1.00 0.00 N ATOM 627 CA GLY A 41 88.467 -3.735 10.435 1.00 0.00 C ATOM 628 C GLY A 41 87.658 -4.458 11.504 1.00 0.00 C ATOM 629 O GLY A 41 88.206 -4.906 12.512 1.00 0.00 O ATOM 0 H GLY A 41 87.775 -2.253 9.121 1.00 0.00 H new ATOM 0 HA2 GLY A 41 88.511 -4.346 9.533 1.00 0.00 H new ATOM 0 HA3 GLY A 41 89.492 -3.602 10.780 1.00 0.00 H new ATOM 633 N GLN A 42 86.352 -4.561 11.286 1.00 0.00 N ATOM 634 CA GLN A 42 85.473 -5.225 12.247 1.00 0.00 C ATOM 635 C GLN A 42 85.002 -6.578 11.721 1.00 0.00 C ATOM 636 O GLN A 42 84.554 -7.428 12.491 1.00 0.00 O ATOM 637 CB GLN A 42 84.257 -4.345 12.540 1.00 0.00 C ATOM 638 CG GLN A 42 83.363 -5.038 13.571 1.00 0.00 C ATOM 639 CD GLN A 42 82.349 -4.049 14.136 1.00 0.00 C ATOM 640 OE1 GLN A 42 81.771 -3.194 13.338 1.00 0.00 O flip ATOM 641 NE2 GLN A 42 82.077 -4.055 15.336 1.00 0.00 N flip ATOM 0 H GLN A 42 85.879 -4.197 10.459 1.00 0.00 H new ATOM 0 HA GLN A 42 86.041 -5.387 13.163 1.00 0.00 H new ATOM 0 HB2 GLN A 42 84.579 -3.374 12.916 1.00 0.00 H new ATOM 0 HB3 GLN A 42 83.698 -4.162 11.623 1.00 0.00 H new ATOM 0 HG2 GLN A 42 82.844 -5.878 13.108 1.00 0.00 H new ATOM 0 HG3 GLN A 42 83.973 -5.445 14.377 1.00 0.00 H new ATOM 0 HE21 GLN A 42 82.530 -4.724 15.958 1.00 0.00 H new ATOM 0 HE22 GLN A 42 81.398 -3.391 15.708 1.00 0.00 H new ATOM 701 N THR A 47 91.859 -10.875 6.858 1.00 0.00 N ATOM 702 CA THR A 47 92.859 -10.543 7.867 1.00 0.00 C ATOM 703 C THR A 47 93.104 -9.038 7.892 1.00 0.00 C ATOM 704 O THR A 47 94.017 -8.534 7.237 1.00 0.00 O ATOM 705 CB THR A 47 94.169 -11.272 7.564 1.00 0.00 C ATOM 706 OG1 THR A 47 93.923 -12.669 7.484 1.00 0.00 O ATOM 707 CG2 THR A 47 95.182 -10.991 8.675 1.00 0.00 C ATOM 0 HA THR A 47 92.489 -10.859 8.842 1.00 0.00 H new ATOM 0 HB THR A 47 94.571 -10.919 6.614 1.00 0.00 H new ATOM 0 HG1 THR A 47 92.997 -12.822 7.202 1.00 0.00 H new ATOM 0 HG21 THR A 47 96.115 -11.511 8.457 1.00 0.00 H new ATOM 0 HG22 THR A 47 95.370 -9.919 8.734 1.00 0.00 H new ATOM 0 HG23 THR A 47 94.784 -11.342 9.627 1.00 0.00 H new ATOM 715 N TYR A 48 92.274 -8.329 8.645 1.00 0.00 N ATOM 716 CA TYR A 48 92.391 -6.880 8.748 1.00 0.00 C ATOM 717 C TYR A 48 93.714 -6.475 9.384 1.00 0.00 C ATOM 718 O TYR A 48 94.278 -7.204 10.199 1.00 0.00 O ATOM 719 CB TYR A 48 91.235 -6.326 9.586 1.00 0.00 C ATOM 720 CG TYR A 48 90.041 -6.090 8.700 1.00 0.00 C ATOM 721 CD1 TYR A 48 90.100 -5.107 7.708 1.00 0.00 C ATOM 722 CD2 TYR A 48 88.876 -6.841 8.876 1.00 0.00 C ATOM 723 CE1 TYR A 48 88.991 -4.874 6.889 1.00 0.00 C ATOM 724 CE2 TYR A 48 87.768 -6.607 8.057 1.00 0.00 C ATOM 725 CZ TYR A 48 87.823 -5.626 7.064 1.00 0.00 C ATOM 726 OH TYR A 48 86.725 -5.398 6.264 1.00 0.00 O ATOM 0 H TYR A 48 91.514 -8.732 9.193 1.00 0.00 H new ATOM 0 HA TYR A 48 92.353 -6.467 7.740 1.00 0.00 H new ATOM 0 HB2 TYR A 48 90.979 -7.027 10.380 1.00 0.00 H new ATOM 0 HB3 TYR A 48 91.534 -5.395 10.067 1.00 0.00 H new ATOM 0 HD1 TYR A 48 91.002 -4.528 7.574 1.00 0.00 H new ATOM 0 HD2 TYR A 48 88.832 -7.600 9.643 1.00 0.00 H new ATOM 0 HE1 TYR A 48 89.035 -4.115 6.122 1.00 0.00 H new ATOM 0 HE2 TYR A 48 86.867 -7.186 8.192 1.00 0.00 H new ATOM 0 HH TYR A 48 86.002 -6.008 6.520 1.00 0.00 H new ATOM 736 N THR A 49 94.194 -5.295 9.007 1.00 0.00 N ATOM 737 CA THR A 49 95.445 -4.778 9.547 1.00 0.00 C ATOM 738 C THR A 49 95.192 -4.070 10.875 1.00 0.00 C ATOM 739 O THR A 49 94.061 -3.693 11.179 1.00 0.00 O ATOM 740 CB THR A 49 96.074 -3.801 8.551 1.00 0.00 C ATOM 741 OG1 THR A 49 95.169 -2.732 8.307 1.00 0.00 O ATOM 742 CG2 THR A 49 96.374 -4.526 7.235 1.00 0.00 C ATOM 0 H THR A 49 93.738 -4.681 8.332 1.00 0.00 H new ATOM 0 HA THR A 49 96.128 -5.611 9.715 1.00 0.00 H new ATOM 0 HB THR A 49 97.003 -3.409 8.965 1.00 0.00 H new ATOM 0 HG1 THR A 49 95.665 -1.888 8.257 1.00 0.00 H new ATOM 0 HG21 THR A 49 96.822 -3.827 6.528 1.00 0.00 H new ATOM 0 HG22 THR A 49 97.066 -5.347 7.421 1.00 0.00 H new ATOM 0 HG23 THR A 49 95.448 -4.920 6.818 1.00 0.00 H new ATOM 750 N ASP A 50 96.247 -3.897 11.665 1.00 0.00 N ATOM 751 CA ASP A 50 96.119 -3.237 12.961 1.00 0.00 C ATOM 752 C ASP A 50 95.491 -1.856 12.808 1.00 0.00 C ATOM 753 O ASP A 50 94.680 -1.440 13.634 1.00 0.00 O ATOM 754 CB ASP A 50 97.494 -3.104 13.617 1.00 0.00 C ATOM 755 CG ASP A 50 97.372 -2.347 14.934 1.00 0.00 C ATOM 756 OD1 ASP A 50 97.403 -1.128 14.899 1.00 0.00 O ATOM 757 OD2 ASP A 50 97.247 -2.996 15.959 1.00 0.00 O1- ATOM 0 H ASP A 50 97.193 -4.201 11.434 1.00 0.00 H new ATOM 0 HA ASP A 50 95.471 -3.846 13.591 1.00 0.00 H new ATOM 0 HB2 ASP A 50 97.919 -4.092 13.794 1.00 0.00 H new ATOM 0 HB3 ASP A 50 98.176 -2.579 12.948 1.00 0.00 H new ATOM 762 N ALA A 51 95.875 -1.149 11.753 1.00 0.00 N ATOM 763 CA ALA A 51 95.344 0.187 11.510 1.00 0.00 C ATOM 764 C ALA A 51 93.831 0.144 11.329 1.00 0.00 C ATOM 765 O ALA A 51 93.116 1.012 11.825 1.00 0.00 O ATOM 766 CB ALA A 51 95.990 0.785 10.261 1.00 0.00 C ATOM 0 H ALA A 51 96.546 -1.474 11.057 1.00 0.00 H new ATOM 0 HA ALA A 51 95.575 0.809 12.375 1.00 0.00 H new ATOM 0 HB1 ALA A 51 95.588 1.783 10.086 1.00 0.00 H new ATOM 0 HB2 ALA A 51 97.069 0.848 10.404 1.00 0.00 H new ATOM 0 HB3 ALA A 51 95.774 0.151 9.401 1.00 0.00 H new ATOM 772 N ASN A 52 93.348 -0.868 10.617 1.00 0.00 N ATOM 773 CA ASN A 52 91.913 -1.004 10.382 1.00 0.00 C ATOM 774 C ASN A 52 91.236 -1.640 11.595 1.00 0.00 C ATOM 775 O ASN A 52 90.046 -1.438 11.834 1.00 0.00 O ATOM 776 CB ASN A 52 91.670 -1.864 9.130 1.00 0.00 C ATOM 777 CG ASN A 52 90.732 -1.152 8.155 1.00 0.00 C ATOM 778 OD1 ASN A 52 90.544 0.062 8.242 1.00 0.00 O ATOM 779 ND2 ASN A 52 90.134 -1.839 7.222 1.00 0.00 N ATOM 0 H ASN A 52 93.921 -1.600 10.196 1.00 0.00 H new ATOM 0 HA ASN A 52 91.485 -0.014 10.224 1.00 0.00 H new ATOM 0 HB2 ASN A 52 92.620 -2.076 8.639 1.00 0.00 H new ATOM 0 HB3 ASN A 52 91.241 -2.823 9.420 1.00 0.00 H new ATOM 0 HD21 ASN A 52 89.511 -1.371 6.564 1.00 0.00 H new ATOM 0 HD22 ASN A 52 90.290 -2.844 7.150 1.00 0.00 H new ATOM 786 N LYS A 53 92.010 -2.399 12.362 1.00 0.00 N ATOM 787 CA LYS A 53 91.491 -3.053 13.553 1.00 0.00 C ATOM 788 C LYS A 53 91.544 -2.077 14.721 1.00 0.00 C ATOM 789 O LYS A 53 90.966 -2.317 15.780 1.00 0.00 O ATOM 790 CB LYS A 53 92.322 -4.316 13.843 1.00 0.00 C ATOM 791 CG LYS A 53 92.485 -4.531 15.353 1.00 0.00 C ATOM 792 CD LYS A 53 93.167 -5.881 15.613 1.00 0.00 C ATOM 793 CE LYS A 53 92.117 -6.995 15.665 1.00 0.00 C ATOM 794 NZ LYS A 53 92.781 -8.288 15.996 1.00 0.00 N1+ ATOM 0 H LYS A 53 92.998 -2.575 12.179 1.00 0.00 H new ATOM 0 HA LYS A 53 90.454 -3.354 13.401 1.00 0.00 H new ATOM 0 HB2 LYS A 53 91.837 -5.185 13.398 1.00 0.00 H new ATOM 0 HB3 LYS A 53 93.303 -4.225 13.377 1.00 0.00 H new ATOM 0 HG2 LYS A 53 93.079 -3.724 15.783 1.00 0.00 H new ATOM 0 HG3 LYS A 53 91.511 -4.505 15.841 1.00 0.00 H new ATOM 0 HD2 LYS A 53 93.892 -6.089 14.826 1.00 0.00 H new ATOM 0 HD3 LYS A 53 93.718 -5.845 16.553 1.00 0.00 H new ATOM 0 HE2 LYS A 53 91.360 -6.761 16.413 1.00 0.00 H new ATOM 0 HE3 LYS A 53 91.605 -7.072 14.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 92.069 -9.045 16.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 93.488 -8.512 15.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 93.250 -8.211 16.921 1.00 0.00 H new ATOM 808 N ASN A 54 92.240 -0.968 14.506 1.00 0.00 N ATOM 809 CA ASN A 54 92.370 0.055 15.532 1.00 0.00 C ATOM 810 C ASN A 54 91.014 0.682 15.827 1.00 0.00 C ATOM 811 O ASN A 54 90.813 1.303 16.870 1.00 0.00 O ATOM 812 CB ASN A 54 93.341 1.135 15.053 1.00 0.00 C ATOM 813 CG ASN A 54 92.604 2.210 14.256 1.00 0.00 C ATOM 814 OD1 ASN A 54 91.657 1.864 13.428 1.00 0.00 O flip ATOM 815 ND2 ASN A 54 92.901 3.396 14.394 1.00 0.00 N flip ATOM 0 H ASN A 54 92.722 -0.755 13.632 1.00 0.00 H new ATOM 0 HA ASN A 54 92.751 -0.404 16.444 1.00 0.00 H new ATOM 0 HB2 ASN A 54 93.840 1.588 15.910 1.00 0.00 H new ATOM 0 HB3 ASN A 54 94.117 0.685 14.434 1.00 0.00 H new ATOM 0 HD21 ASN A 54 93.642 3.664 15.042 1.00 0.00 H new ATOM 0 HD22 ASN A 54 92.406 4.111 13.860 1.00 0.00 H new ATOM 822 N LYS A 55 90.092 0.509 14.893 1.00 0.00 N ATOM 823 CA LYS A 55 88.746 1.058 15.046 1.00 0.00 C ATOM 824 C LYS A 55 88.806 2.566 15.265 1.00 0.00 C ATOM 825 O LYS A 55 88.435 3.062 16.329 1.00 0.00 O ATOM 826 CB LYS A 55 88.044 0.397 16.233 1.00 0.00 C ATOM 827 CG LYS A 55 87.909 -1.109 15.981 1.00 0.00 C ATOM 828 CD LYS A 55 87.685 -1.837 17.312 1.00 0.00 C ATOM 829 CE LYS A 55 89.010 -1.954 18.082 1.00 0.00 C ATOM 830 NZ LYS A 55 88.824 -1.429 19.464 1.00 0.00 N1+ ATOM 0 H LYS A 55 90.246 -0.003 14.025 1.00 0.00 H new ATOM 0 HA LYS A 55 88.185 0.855 14.134 1.00 0.00 H new ATOM 0 HB2 LYS A 55 88.611 0.573 17.147 1.00 0.00 H new ATOM 0 HB3 LYS A 55 87.059 0.841 16.378 1.00 0.00 H new ATOM 0 HG2 LYS A 55 87.076 -1.301 15.305 1.00 0.00 H new ATOM 0 HG3 LYS A 55 88.808 -1.488 15.495 1.00 0.00 H new ATOM 0 HD2 LYS A 55 86.954 -1.296 17.912 1.00 0.00 H new ATOM 0 HD3 LYS A 55 87.274 -2.830 17.127 1.00 0.00 H new ATOM 0 HE2 LYS A 55 89.333 -2.994 18.116 1.00 0.00 H new ATOM 0 HE3 LYS A 55 89.792 -1.394 17.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 89.719 -1.507 19.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 88.534 -0.431 19.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 88.089 -1.982 19.950 1.00 0.00 H new ATOM 844 N GLY A 56 89.286 3.289 14.258 1.00 0.00 N ATOM 845 CA GLY A 56 89.402 4.740 14.360 1.00 0.00 C ATOM 846 C GLY A 56 88.093 5.439 14.007 1.00 0.00 C ATOM 847 O GLY A 56 87.690 6.390 14.678 1.00 0.00 O ATOM 0 H GLY A 56 89.599 2.898 13.369 1.00 0.00 H new ATOM 0 HA2 GLY A 56 89.697 5.011 15.374 1.00 0.00 H new ATOM 0 HA3 GLY A 56 90.192 5.089 13.695 1.00 0.00 H new ATOM 851 N ILE A 57 87.432 4.974 12.949 1.00 0.00 N ATOM 852 CA ILE A 57 86.172 5.583 12.525 1.00 0.00 C ATOM 853 C ILE A 57 85.202 4.522 12.012 1.00 0.00 C ATOM 854 O ILE A 57 85.545 3.344 11.925 1.00 0.00 O ATOM 855 CB ILE A 57 86.437 6.621 11.431 1.00 0.00 C ATOM 856 CG1 ILE A 57 86.964 5.925 10.165 1.00 0.00 C ATOM 857 CG2 ILE A 57 87.482 7.621 11.932 1.00 0.00 C ATOM 858 CD1 ILE A 57 85.801 5.342 9.348 1.00 0.00 C ATOM 0 H ILE A 57 87.742 4.189 12.376 1.00 0.00 H new ATOM 0 HA ILE A 57 85.720 6.074 13.387 1.00 0.00 H new ATOM 0 HB ILE A 57 85.509 7.141 11.193 1.00 0.00 H new ATOM 0 HG12 ILE A 57 87.522 6.637 9.557 1.00 0.00 H new ATOM 0 HG13 ILE A 57 87.657 5.130 10.441 1.00 0.00 H new ATOM 0 HG21 ILE A 57 87.676 8.363 11.158 1.00 0.00 H new ATOM 0 HG22 ILE A 57 87.109 8.119 12.827 1.00 0.00 H new ATOM 0 HG23 ILE A 57 88.406 7.094 12.168 1.00 0.00 H new ATOM 0 HD11 ILE A 57 86.192 4.853 8.456 1.00 0.00 H new ATOM 0 HD12 ILE A 57 85.260 4.614 9.953 1.00 0.00 H new ATOM 0 HD13 ILE A 57 85.124 6.144 9.055 1.00 0.00 H new ATOM 870 N THR A 58 83.986 4.952 11.681 1.00 0.00 N ATOM 871 CA THR A 58 82.961 4.034 11.187 1.00 0.00 C ATOM 872 C THR A 58 82.680 4.264 9.707 1.00 0.00 C ATOM 873 O THR A 58 82.631 5.402 9.242 1.00 0.00 O ATOM 874 CB THR A 58 81.668 4.232 11.982 1.00 0.00 C ATOM 875 OG1 THR A 58 81.927 4.019 13.362 1.00 0.00 O ATOM 876 CG2 THR A 58 80.609 3.238 11.502 1.00 0.00 C ATOM 0 H THR A 58 83.687 5.925 11.745 1.00 0.00 H new ATOM 0 HA THR A 58 83.329 3.016 11.315 1.00 0.00 H new ATOM 0 HB THR A 58 81.302 5.248 11.831 1.00 0.00 H new ATOM 0 HG1 THR A 58 81.101 4.147 13.873 1.00 0.00 H new ATOM 0 HG21 THR A 58 79.690 3.382 12.071 1.00 0.00 H new ATOM 0 HG22 THR A 58 80.410 3.402 10.443 1.00 0.00 H new ATOM 0 HG23 THR A 58 80.971 2.221 11.650 1.00 0.00 H new ATOM 884 N TRP A 59 82.477 3.171 8.973 1.00 0.00 N ATOM 885 CA TRP A 59 82.182 3.272 7.551 1.00 0.00 C ATOM 886 C TRP A 59 80.853 3.988 7.344 1.00 0.00 C ATOM 887 O TRP A 59 79.870 3.704 8.029 1.00 0.00 O ATOM 888 CB TRP A 59 82.104 1.886 6.909 1.00 0.00 C ATOM 889 CG TRP A 59 83.257 1.040 7.351 1.00 0.00 C ATOM 890 CD1 TRP A 59 84.527 1.476 7.500 1.00 0.00 C ATOM 891 CD2 TRP A 59 83.268 -0.377 7.695 1.00 0.00 C ATOM 892 NE1 TRP A 59 85.317 0.416 7.908 1.00 0.00 N ATOM 893 CE2 TRP A 59 84.584 -0.746 8.049 1.00 0.00 C ATOM 894 CE3 TRP A 59 82.272 -1.368 7.733 1.00 0.00 C ATOM 895 CZ2 TRP A 59 84.900 -2.055 8.432 1.00 0.00 C ATOM 896 CZ3 TRP A 59 82.587 -2.683 8.114 1.00 0.00 C ATOM 897 CH2 TRP A 59 83.897 -3.024 8.465 1.00 0.00 C ATOM 0 H TRP A 59 82.511 2.219 9.336 1.00 0.00 H new ATOM 0 HA TRP A 59 82.987 3.837 7.081 1.00 0.00 H new ATOM 0 HB2 TRP A 59 81.165 1.404 7.182 1.00 0.00 H new ATOM 0 HB3 TRP A 59 82.109 1.980 5.823 1.00 0.00 H new ATOM 0 HD1 TRP A 59 84.869 2.486 7.329 1.00 0.00 H new ATOM 0 HE1 TRP A 59 86.319 0.484 8.083 1.00 0.00 H new ATOM 0 HE3 TRP A 59 81.256 -1.116 7.467 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 85.914 -2.313 8.700 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 81.813 -3.435 8.136 1.00 0.00 H new ATOM 0 HH2 TRP A 59 84.132 -4.036 8.761 1.00 0.00 H new ATOM 908 N LYS A 60 80.832 4.911 6.396 1.00 0.00 N ATOM 909 CA LYS A 60 79.623 5.667 6.094 1.00 0.00 C ATOM 910 C LYS A 60 79.677 6.166 4.655 1.00 0.00 C ATOM 911 O LYS A 60 80.437 5.642 3.845 1.00 0.00 O ATOM 912 CB LYS A 60 79.492 6.853 7.056 1.00 0.00 C ATOM 913 CG LYS A 60 79.277 6.337 8.482 1.00 0.00 C ATOM 914 CD LYS A 60 78.819 7.486 9.387 1.00 0.00 C ATOM 915 CE LYS A 60 80.021 8.355 9.759 1.00 0.00 C ATOM 916 NZ LYS A 60 79.592 9.405 10.724 1.00 0.00 N1+ ATOM 0 H LYS A 60 81.638 5.156 5.821 1.00 0.00 H new ATOM 0 HA LYS A 60 78.755 5.019 6.216 1.00 0.00 H new ATOM 0 HB2 LYS A 60 80.390 7.470 7.013 1.00 0.00 H new ATOM 0 HB3 LYS A 60 78.656 7.486 6.758 1.00 0.00 H new ATOM 0 HG2 LYS A 60 78.531 5.542 8.482 1.00 0.00 H new ATOM 0 HG3 LYS A 60 80.202 5.906 8.866 1.00 0.00 H new ATOM 0 HD2 LYS A 60 78.067 8.087 8.876 1.00 0.00 H new ATOM 0 HD3 LYS A 60 78.352 7.089 10.288 1.00 0.00 H new ATOM 0 HE2 LYS A 60 80.806 7.740 10.199 1.00 0.00 H new ATOM 0 HE3 LYS A 60 80.441 8.816 8.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 80.408 9.997 10.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 78.857 9.998 10.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 79.211 8.955 11.580 1.00 0.00 H new ATOM 930 N GLU A 61 78.873 7.174 4.338 1.00 0.00 N ATOM 931 CA GLU A 61 78.858 7.715 2.986 1.00 0.00 C ATOM 932 C GLU A 61 80.086 8.588 2.743 1.00 0.00 C ATOM 933 O GLU A 61 80.875 8.326 1.834 1.00 0.00 O ATOM 934 CB GLU A 61 77.590 8.543 2.771 1.00 0.00 C ATOM 935 CG GLU A 61 77.386 8.791 1.275 1.00 0.00 C ATOM 936 CD GLU A 61 76.108 9.589 1.048 1.00 0.00 C ATOM 937 OE1 GLU A 61 75.056 8.976 0.966 1.00 0.00 O1- ATOM 938 OE2 GLU A 61 76.198 10.803 0.961 1.00 0.00 O ATOM 0 H GLU A 61 78.232 7.627 4.989 1.00 0.00 H new ATOM 0 HA GLU A 61 78.874 6.883 2.281 1.00 0.00 H new ATOM 0 HB2 GLU A 61 76.728 8.020 3.184 1.00 0.00 H new ATOM 0 HB3 GLU A 61 77.670 9.493 3.300 1.00 0.00 H new ATOM 0 HG2 GLU A 61 78.240 9.333 0.868 1.00 0.00 H new ATOM 0 HG3 GLU A 61 77.330 7.840 0.745 1.00 0.00 H new ATOM 945 N GLU A 62 80.247 9.623 3.561 1.00 0.00 N ATOM 946 CA GLU A 62 81.385 10.527 3.418 1.00 0.00 C ATOM 947 C GLU A 62 82.687 9.821 3.775 1.00 0.00 C ATOM 948 O GLU A 62 83.676 9.916 3.049 1.00 0.00 O ATOM 949 CB GLU A 62 81.199 11.749 4.320 1.00 0.00 C ATOM 950 CG GLU A 62 79.898 12.462 3.953 1.00 0.00 C ATOM 951 CD GLU A 62 79.520 13.456 5.046 1.00 0.00 C ATOM 952 OE1 GLU A 62 80.372 14.246 5.420 1.00 0.00 O ATOM 953 OE2 GLU A 62 78.386 13.412 5.494 1.00 0.00 O1- ATOM 0 H GLU A 62 79.611 9.856 4.323 1.00 0.00 H new ATOM 0 HA GLU A 62 81.437 10.847 2.377 1.00 0.00 H new ATOM 0 HB2 GLU A 62 81.175 11.442 5.366 1.00 0.00 H new ATOM 0 HB3 GLU A 62 82.043 12.429 4.207 1.00 0.00 H new ATOM 0 HG2 GLU A 62 80.015 12.982 3.002 1.00 0.00 H new ATOM 0 HG3 GLU A 62 79.099 11.733 3.822 1.00 0.00 H new ATOM 960 N THR A 63 82.684 9.109 4.894 1.00 0.00 N ATOM 961 CA THR A 63 83.875 8.392 5.327 1.00 0.00 C ATOM 962 C THR A 63 84.432 7.569 4.177 1.00 0.00 C ATOM 963 O THR A 63 85.646 7.465 4.001 1.00 0.00 O ATOM 964 CB THR A 63 83.536 7.468 6.493 1.00 0.00 C ATOM 965 OG1 THR A 63 82.512 6.570 6.095 1.00 0.00 O ATOM 966 CG2 THR A 63 83.056 8.298 7.677 1.00 0.00 C ATOM 0 H THR A 63 81.879 9.013 5.513 1.00 0.00 H new ATOM 0 HA THR A 63 84.622 9.118 5.648 1.00 0.00 H new ATOM 0 HB THR A 63 84.423 6.905 6.784 1.00 0.00 H new ATOM 0 HG1 THR A 63 82.905 5.831 5.585 1.00 0.00 H new ATOM 0 HG21 THR A 63 82.814 7.638 8.510 1.00 0.00 H new ATOM 0 HG22 THR A 63 83.842 8.990 7.979 1.00 0.00 H new ATOM 0 HG23 THR A 63 82.168 8.861 7.390 1.00 0.00 H new ATOM 974 N LEU A 64 83.533 6.985 3.395 1.00 0.00 N ATOM 975 CA LEU A 64 83.946 6.173 2.261 1.00 0.00 C ATOM 976 C LEU A 64 84.535 7.055 1.166 1.00 0.00 C ATOM 977 O LEU A 64 85.440 6.636 0.447 1.00 0.00 O ATOM 978 CB LEU A 64 82.753 5.388 1.702 1.00 0.00 C ATOM 979 CG LEU A 64 82.847 3.909 2.107 1.00 0.00 C ATOM 980 CD1 LEU A 64 81.497 3.227 1.853 1.00 0.00 C ATOM 981 CD2 LEU A 64 83.938 3.212 1.279 1.00 0.00 C ATOM 0 H LEU A 64 82.524 7.058 3.524 1.00 0.00 H new ATOM 0 HA LEU A 64 84.706 5.470 2.602 1.00 0.00 H new ATOM 0 HB2 LEU A 64 81.822 5.815 2.075 1.00 0.00 H new ATOM 0 HB3 LEU A 64 82.730 5.473 0.616 1.00 0.00 H new ATOM 0 HG LEU A 64 83.100 3.839 3.165 1.00 0.00 H new ATOM 0 HD11 LEU A 64 81.560 2.177 2.139 1.00 0.00 H new ATOM 0 HD12 LEU A 64 80.724 3.718 2.444 1.00 0.00 H new ATOM 0 HD13 LEU A 64 81.246 3.300 0.795 1.00 0.00 H new ATOM 0 HD21 LEU A 64 84.001 2.163 1.570 1.00 0.00 H new ATOM 0 HD22 LEU A 64 83.690 3.281 0.220 1.00 0.00 H new ATOM 0 HD23 LEU A 64 84.897 3.697 1.460 1.00 0.00 H new ATOM 993 N MET A 65 84.009 8.274 1.030 1.00 0.00 N ATOM 994 CA MET A 65 84.496 9.188 0.000 1.00 0.00 C ATOM 995 C MET A 65 85.967 9.525 0.213 1.00 0.00 C ATOM 996 O MET A 65 86.795 9.299 -0.671 1.00 0.00 O ATOM 997 CB MET A 65 83.673 10.478 0.002 1.00 0.00 C ATOM 998 CG MET A 65 82.233 10.155 -0.386 1.00 0.00 C ATOM 999 SD MET A 65 81.184 11.597 -0.074 1.00 0.00 S ATOM 1000 CE MET A 65 81.057 12.163 -1.785 1.00 0.00 C ATOM 0 H MET A 65 83.257 8.645 1.611 1.00 0.00 H new ATOM 0 HA MET A 65 84.389 8.689 -0.963 1.00 0.00 H new ATOM 0 HB2 MET A 65 83.701 10.940 0.989 1.00 0.00 H new ATOM 0 HB3 MET A 65 84.099 11.196 -0.699 1.00 0.00 H new ATOM 0 HG2 MET A 65 82.183 9.877 -1.439 1.00 0.00 H new ATOM 0 HG3 MET A 65 81.874 9.300 0.187 1.00 0.00 H new ATOM 0 HE1 MET A 65 80.563 13.134 -1.811 1.00 0.00 H new ATOM 0 HE2 MET A 65 82.055 12.252 -2.214 1.00 0.00 H new ATOM 0 HE3 MET A 65 80.476 11.445 -2.364 1.00 0.00 H new ATOM 1010 N GLU A 66 86.294 10.056 1.384 1.00 0.00 N ATOM 1011 CA GLU A 66 87.677 10.401 1.681 1.00 0.00 C ATOM 1012 C GLU A 66 88.540 9.149 1.617 1.00 0.00 C ATOM 1013 O GLU A 66 89.720 9.204 1.274 1.00 0.00 O ATOM 1014 CB GLU A 66 87.776 11.028 3.075 1.00 0.00 C ATOM 1015 CG GLU A 66 86.837 12.233 3.159 1.00 0.00 C ATOM 1016 CD GLU A 66 87.103 13.013 4.442 1.00 0.00 C ATOM 1017 OE1 GLU A 66 87.152 12.391 5.490 1.00 0.00 O1- ATOM 1018 OE2 GLU A 66 87.255 14.220 4.357 1.00 0.00 O ATOM 0 H GLU A 66 85.631 10.255 2.133 1.00 0.00 H new ATOM 0 HA GLU A 66 88.030 11.122 0.944 1.00 0.00 H new ATOM 0 HB2 GLU A 66 87.512 10.293 3.836 1.00 0.00 H new ATOM 0 HB3 GLU A 66 88.802 11.338 3.274 1.00 0.00 H new ATOM 0 HG2 GLU A 66 86.983 12.879 2.294 1.00 0.00 H new ATOM 0 HG3 GLU A 66 85.800 11.899 3.135 1.00 0.00 H new ATOM 1025 N TYR A 67 87.929 8.019 1.947 1.00 0.00 N ATOM 1026 CA TYR A 67 88.624 6.739 1.923 1.00 0.00 C ATOM 1027 C TYR A 67 88.735 6.219 0.492 1.00 0.00 C ATOM 1028 O TYR A 67 89.651 5.465 0.164 1.00 0.00 O ATOM 1029 CB TYR A 67 87.858 5.737 2.793 1.00 0.00 C ATOM 1030 CG TYR A 67 88.327 4.327 2.516 1.00 0.00 C ATOM 1031 CD1 TYR A 67 87.765 3.598 1.461 1.00 0.00 C ATOM 1032 CD2 TYR A 67 89.312 3.744 3.322 1.00 0.00 C ATOM 1033 CE1 TYR A 67 88.189 2.288 1.210 1.00 0.00 C ATOM 1034 CE2 TYR A 67 89.735 2.433 3.073 1.00 0.00 C ATOM 1035 CZ TYR A 67 89.174 1.705 2.016 1.00 0.00 C ATOM 1036 OH TYR A 67 89.590 0.412 1.771 1.00 0.00 O ATOM 0 H TYR A 67 86.952 7.963 2.235 1.00 0.00 H new ATOM 0 HA TYR A 67 89.632 6.868 2.317 1.00 0.00 H new ATOM 0 HB2 TYR A 67 88.005 5.975 3.847 1.00 0.00 H new ATOM 0 HB3 TYR A 67 86.789 5.817 2.594 1.00 0.00 H new ATOM 0 HD1 TYR A 67 87.004 4.047 0.840 1.00 0.00 H new ATOM 0 HD2 TYR A 67 89.746 4.306 4.136 1.00 0.00 H new ATOM 0 HE1 TYR A 67 87.756 1.727 0.395 1.00 0.00 H new ATOM 0 HE2 TYR A 67 90.494 1.983 3.696 1.00 0.00 H new ATOM 0 HH TYR A 67 89.519 0.222 0.812 1.00 0.00 H new ATOM 1046 N LEU A 68 87.789 6.620 -0.352 1.00 0.00 N ATOM 1047 CA LEU A 68 87.775 6.181 -1.744 1.00 0.00 C ATOM 1048 C LEU A 68 88.772 6.981 -2.584 1.00 0.00 C ATOM 1049 O LEU A 68 89.194 6.532 -3.649 1.00 0.00 O ATOM 1050 CB LEU A 68 86.359 6.338 -2.327 1.00 0.00 C ATOM 1051 CG LEU A 68 85.586 5.015 -2.223 1.00 0.00 C ATOM 1052 CD1 LEU A 68 84.129 5.238 -2.632 1.00 0.00 C ATOM 1053 CD2 LEU A 68 86.206 3.965 -3.149 1.00 0.00 C ATOM 0 H LEU A 68 87.025 7.246 -0.098 1.00 0.00 H new ATOM 0 HA LEU A 68 88.068 5.132 -1.773 1.00 0.00 H new ATOM 0 HB2 LEU A 68 85.824 7.122 -1.792 1.00 0.00 H new ATOM 0 HB3 LEU A 68 86.421 6.649 -3.370 1.00 0.00 H new ATOM 0 HG LEU A 68 85.635 4.663 -1.193 1.00 0.00 H new ATOM 0 HD11 LEU A 68 83.582 4.298 -2.558 1.00 0.00 H new ATOM 0 HD12 LEU A 68 83.674 5.976 -1.971 1.00 0.00 H new ATOM 0 HD13 LEU A 68 84.091 5.599 -3.660 1.00 0.00 H new ATOM 0 HD21 LEU A 68 85.649 3.032 -3.066 1.00 0.00 H new ATOM 0 HD22 LEU A 68 86.168 4.320 -4.179 1.00 0.00 H new ATOM 0 HD23 LEU A 68 87.244 3.795 -2.863 1.00 0.00 H new ATOM 1065 N GLU A 69 89.141 8.166 -2.105 1.00 0.00 N ATOM 1066 CA GLU A 69 90.087 9.009 -2.833 1.00 0.00 C ATOM 1067 C GLU A 69 91.522 8.672 -2.437 1.00 0.00 C ATOM 1068 O GLU A 69 92.474 9.088 -3.098 1.00 0.00 O ATOM 1069 CB GLU A 69 89.792 10.489 -2.550 1.00 0.00 C ATOM 1070 CG GLU A 69 90.617 10.977 -1.354 1.00 0.00 C ATOM 1071 CD GLU A 69 90.030 12.275 -0.811 1.00 0.00 C ATOM 1072 OE1 GLU A 69 89.623 13.100 -1.613 1.00 0.00 O ATOM 1073 OE2 GLU A 69 89.994 12.426 0.399 1.00 0.00 O1- ATOM 0 H GLU A 69 88.805 8.561 -1.227 1.00 0.00 H new ATOM 0 HA GLU A 69 89.973 8.821 -3.901 1.00 0.00 H new ATOM 0 HB2 GLU A 69 90.026 11.088 -3.430 1.00 0.00 H new ATOM 0 HB3 GLU A 69 88.730 10.623 -2.346 1.00 0.00 H new ATOM 0 HG2 GLU A 69 90.625 10.217 -0.573 1.00 0.00 H new ATOM 0 HG3 GLU A 69 91.652 11.135 -1.656 1.00 0.00 H new ATOM 1080 N ASN A 70 91.665 7.919 -1.353 1.00 0.00 N ATOM 1081 CA ASN A 70 92.988 7.530 -0.869 1.00 0.00 C ATOM 1082 C ASN A 70 92.854 6.550 0.297 1.00 0.00 C ATOM 1083 O ASN A 70 93.210 6.862 1.434 1.00 0.00 O ATOM 1084 CB ASN A 70 93.770 8.773 -0.427 1.00 0.00 C ATOM 1085 CG ASN A 70 95.269 8.538 -0.592 1.00 0.00 C ATOM 1086 OD1 ASN A 70 95.811 7.460 -0.096 1.00 0.00 O flip ATOM 1087 ND2 ASN A 70 95.965 9.358 -1.189 1.00 0.00 N flip ATOM 0 H ASN A 70 90.888 7.566 -0.794 1.00 0.00 H new ATOM 0 HA ASN A 70 93.531 7.040 -1.678 1.00 0.00 H new ATOM 0 HB2 ASN A 70 93.462 9.635 -1.019 1.00 0.00 H new ATOM 0 HB3 ASN A 70 93.543 9.004 0.614 1.00 0.00 H new ATOM 0 HD21 ASN A 70 95.541 10.201 -1.577 1.00 0.00 H new ATOM 0 HD22 ASN A 70 96.966 9.195 -1.296 1.00 0.00 H new ATOM 1094 N PRO A 71 92.338 5.383 0.026 1.00 0.00 N ATOM 1095 CA PRO A 71 92.130 4.320 1.054 1.00 0.00 C ATOM 1096 C PRO A 71 93.321 4.153 2.000 1.00 0.00 C ATOM 1097 O PRO A 71 93.158 3.732 3.145 1.00 0.00 O ATOM 1098 CB PRO A 71 91.927 3.057 0.215 1.00 0.00 C ATOM 1099 CG PRO A 71 91.345 3.533 -1.076 1.00 0.00 C ATOM 1100 CD PRO A 71 91.892 4.945 -1.308 1.00 0.00 C ATOM 0 HA PRO A 71 91.294 4.557 1.712 1.00 0.00 H new ATOM 0 HB2 PRO A 71 92.871 2.536 0.053 1.00 0.00 H new ATOM 0 HB3 PRO A 71 91.258 2.356 0.714 1.00 0.00 H new ATOM 0 HG2 PRO A 71 91.624 2.870 -1.895 1.00 0.00 H new ATOM 0 HG3 PRO A 71 90.256 3.542 -1.030 1.00 0.00 H new ATOM 0 HD2 PRO A 71 92.716 4.941 -2.022 1.00 0.00 H new ATOM 0 HD3 PRO A 71 91.126 5.608 -1.709 1.00 0.00 H new ATOM 1108 N LYS A 72 94.516 4.462 1.510 1.00 0.00 N ATOM 1109 CA LYS A 72 95.722 4.315 2.320 1.00 0.00 C ATOM 1110 C LYS A 72 95.923 5.504 3.255 1.00 0.00 C ATOM 1111 O LYS A 72 96.203 5.329 4.440 1.00 0.00 O ATOM 1112 CB LYS A 72 96.941 4.182 1.403 1.00 0.00 C ATOM 1113 CG LYS A 72 98.206 3.924 2.238 1.00 0.00 C ATOM 1114 CD LYS A 72 98.348 2.423 2.522 1.00 0.00 C ATOM 1115 CE LYS A 72 98.934 1.710 1.298 1.00 0.00 C ATOM 1116 NZ LYS A 72 100.410 1.580 1.458 1.00 0.00 N1+ ATOM 0 H LYS A 72 94.677 4.813 0.566 1.00 0.00 H new ATOM 0 HA LYS A 72 95.607 3.420 2.931 1.00 0.00 H new ATOM 0 HB2 LYS A 72 96.788 3.364 0.699 1.00 0.00 H new ATOM 0 HB3 LYS A 72 97.064 5.091 0.814 1.00 0.00 H new ATOM 0 HG2 LYS A 72 99.085 4.287 1.704 1.00 0.00 H new ATOM 0 HG3 LYS A 72 98.152 4.477 3.176 1.00 0.00 H new ATOM 0 HD2 LYS A 72 98.993 2.268 3.387 1.00 0.00 H new ATOM 0 HD3 LYS A 72 97.375 1.998 2.769 1.00 0.00 H new ATOM 0 HE2 LYS A 72 98.481 0.725 1.187 1.00 0.00 H new ATOM 0 HE3 LYS A 72 98.704 2.271 0.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 100.808 1.096 0.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 100.834 2.526 1.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 100.619 1.027 2.314 1.00 0.00 H new ATOM 1130 N LYS A 73 95.805 6.708 2.716 1.00 0.00 N ATOM 1131 CA LYS A 73 96.006 7.908 3.516 1.00 0.00 C ATOM 1132 C LYS A 73 94.978 8.007 4.641 1.00 0.00 C ATOM 1133 O LYS A 73 95.270 8.539 5.712 1.00 0.00 O ATOM 1134 CB LYS A 73 95.924 9.153 2.631 1.00 0.00 C ATOM 1135 CG LYS A 73 96.605 10.334 3.332 1.00 0.00 C ATOM 1136 CD LYS A 73 96.747 11.502 2.352 1.00 0.00 C ATOM 1137 CE LYS A 73 95.374 12.118 2.075 1.00 0.00 C ATOM 1138 NZ LYS A 73 95.550 13.461 1.452 1.00 0.00 N1+ ATOM 0 H LYS A 73 95.573 6.880 1.738 1.00 0.00 H new ATOM 0 HA LYS A 73 96.997 7.845 3.965 1.00 0.00 H new ATOM 0 HB2 LYS A 73 96.405 8.961 1.672 1.00 0.00 H new ATOM 0 HB3 LYS A 73 94.882 9.394 2.422 1.00 0.00 H new ATOM 0 HG2 LYS A 73 96.020 10.642 4.198 1.00 0.00 H new ATOM 0 HG3 LYS A 73 97.586 10.034 3.701 1.00 0.00 H new ATOM 0 HD2 LYS A 73 97.417 12.256 2.766 1.00 0.00 H new ATOM 0 HD3 LYS A 73 97.194 11.155 1.421 1.00 0.00 H new ATOM 0 HE2 LYS A 73 94.800 11.470 1.413 1.00 0.00 H new ATOM 0 HE3 LYS A 73 94.809 12.207 3.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 94.618 13.881 1.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 96.082 14.077 2.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 96.073 13.363 0.558 1.00 0.00 H new ATOM 1152 N TYR A 74 93.773 7.500 4.396 1.00 0.00 N ATOM 1153 CA TYR A 74 92.722 7.553 5.408 1.00 0.00 C ATOM 1154 C TYR A 74 93.074 6.658 6.593 1.00 0.00 C ATOM 1155 O TYR A 74 93.144 7.120 7.733 1.00 0.00 O ATOM 1156 CB TYR A 74 91.381 7.116 4.799 1.00 0.00 C ATOM 1157 CG TYR A 74 90.256 7.917 5.418 1.00 0.00 C ATOM 1158 CD1 TYR A 74 90.201 9.303 5.228 1.00 0.00 C ATOM 1159 CD2 TYR A 74 89.271 7.277 6.180 1.00 0.00 C ATOM 1160 CE1 TYR A 74 89.164 10.049 5.800 1.00 0.00 C ATOM 1161 CE2 TYR A 74 88.233 8.023 6.752 1.00 0.00 C ATOM 1162 CZ TYR A 74 88.180 9.409 6.562 1.00 0.00 C ATOM 1163 OH TYR A 74 87.158 10.144 7.127 1.00 0.00 O ATOM 0 H TYR A 74 93.502 7.054 3.519 1.00 0.00 H new ATOM 0 HA TYR A 74 92.634 8.580 5.762 1.00 0.00 H new ATOM 0 HB2 TYR A 74 91.395 7.264 3.719 1.00 0.00 H new ATOM 0 HB3 TYR A 74 91.221 6.052 4.972 1.00 0.00 H new ATOM 0 HD1 TYR A 74 90.960 9.797 4.639 1.00 0.00 H new ATOM 0 HD2 TYR A 74 89.312 6.208 6.327 1.00 0.00 H new ATOM 0 HE1 TYR A 74 89.123 11.118 5.653 1.00 0.00 H new ATOM 0 HE2 TYR A 74 87.473 7.529 7.340 1.00 0.00 H new ATOM 0 HH TYR A 74 87.048 10.984 6.634 1.00 0.00 H new ATOM 1173 N ILE A 75 93.302 5.377 6.316 1.00 0.00 N ATOM 1174 CA ILE A 75 93.656 4.422 7.362 1.00 0.00 C ATOM 1175 C ILE A 75 94.919 3.658 6.970 1.00 0.00 C ATOM 1176 O ILE A 75 94.870 2.458 6.699 1.00 0.00 O ATOM 1177 CB ILE A 75 92.505 3.435 7.583 1.00 0.00 C ATOM 1178 CG1 ILE A 75 91.205 4.210 7.825 1.00 0.00 C ATOM 1179 CG2 ILE A 75 92.804 2.558 8.802 1.00 0.00 C ATOM 1180 CD1 ILE A 75 90.009 3.269 7.660 1.00 0.00 C ATOM 0 H ILE A 75 93.248 4.977 5.379 1.00 0.00 H new ATOM 0 HA ILE A 75 93.842 4.969 8.286 1.00 0.00 H new ATOM 0 HB ILE A 75 92.398 2.806 6.700 1.00 0.00 H new ATOM 0 HG12 ILE A 75 91.207 4.640 8.827 1.00 0.00 H new ATOM 0 HG13 ILE A 75 91.128 5.040 7.122 1.00 0.00 H new ATOM 0 HG21 ILE A 75 91.983 1.857 8.956 1.00 0.00 H new ATOM 0 HG22 ILE A 75 93.728 2.004 8.634 1.00 0.00 H new ATOM 0 HG23 ILE A 75 92.914 3.188 9.685 1.00 0.00 H new ATOM 0 HD11 ILE A 75 89.085 3.821 7.832 1.00 0.00 H new ATOM 0 HD12 ILE A 75 90.004 2.860 6.650 1.00 0.00 H new ATOM 0 HD13 ILE A 75 90.085 2.455 8.380 1.00 0.00 H new ATOM 1192 N PRO A 76 96.042 4.331 6.934 1.00 0.00 N ATOM 1193 CA PRO A 76 97.344 3.709 6.564 1.00 0.00 C ATOM 1194 C PRO A 76 97.513 2.323 7.177 1.00 0.00 C ATOM 1195 O PRO A 76 97.009 2.049 8.264 1.00 0.00 O ATOM 1196 CB PRO A 76 98.371 4.693 7.124 1.00 0.00 C ATOM 1197 CG PRO A 76 97.696 6.025 7.074 1.00 0.00 C ATOM 1198 CD PRO A 76 96.194 5.763 7.243 1.00 0.00 C ATOM 0 HA PRO A 76 97.440 3.548 5.490 1.00 0.00 H new ATOM 0 HB2 PRO A 76 98.653 4.431 8.144 1.00 0.00 H new ATOM 0 HB3 PRO A 76 99.285 4.691 6.530 1.00 0.00 H new ATOM 0 HG2 PRO A 76 98.067 6.677 7.865 1.00 0.00 H new ATOM 0 HG3 PRO A 76 97.898 6.526 6.127 1.00 0.00 H new ATOM 0 HD2 PRO A 76 95.861 5.990 8.256 1.00 0.00 H new ATOM 0 HD3 PRO A 76 95.603 6.381 6.567 1.00 0.00 H new ATOM 1206 N GLY A 77 98.222 1.451 6.469 1.00 0.00 N ATOM 1207 CA GLY A 77 98.446 0.092 6.950 1.00 0.00 C ATOM 1208 C GLY A 77 97.451 -0.875 6.319 1.00 0.00 C ATOM 1209 O GLY A 77 97.758 -2.048 6.111 1.00 0.00 O ATOM 0 H GLY A 77 98.649 1.658 5.566 1.00 0.00 H new ATOM 0 HA2 GLY A 77 99.463 -0.220 6.713 1.00 0.00 H new ATOM 0 HA3 GLY A 77 98.349 0.065 8.035 1.00 0.00 H new ATOM 1213 N THR A 78 96.258 -0.372 6.012 1.00 0.00 N ATOM 1214 CA THR A 78 95.225 -1.199 5.399 1.00 0.00 C ATOM 1215 C THR A 78 95.751 -1.848 4.125 1.00 0.00 C ATOM 1216 O THR A 78 96.457 -1.212 3.342 1.00 0.00 O ATOM 1217 CB THR A 78 94.002 -0.345 5.070 1.00 0.00 C ATOM 1218 OG1 THR A 78 92.998 -1.163 4.484 1.00 0.00 O ATOM 1219 CG2 THR A 78 94.405 0.753 4.092 1.00 0.00 C ATOM 0 H THR A 78 95.985 0.597 6.176 1.00 0.00 H new ATOM 0 HA THR A 78 94.943 -1.981 6.104 1.00 0.00 H new ATOM 0 HB THR A 78 93.612 0.106 5.982 1.00 0.00 H new ATOM 0 HG1 THR A 78 92.212 -0.616 4.274 1.00 0.00 H new ATOM 0 HG21 THR A 78 93.535 1.365 3.854 1.00 0.00 H new ATOM 0 HG22 THR A 78 95.176 1.377 4.544 1.00 0.00 H new ATOM 0 HG23 THR A 78 94.792 0.302 3.178 1.00 0.00 H new ATOM 1227 N LYS A 79 95.411 -3.117 3.921 1.00 0.00 N ATOM 1228 CA LYS A 79 95.871 -3.832 2.733 1.00 0.00 C ATOM 1229 C LYS A 79 94.965 -3.541 1.535 1.00 0.00 C ATOM 1230 O LYS A 79 93.980 -4.240 1.305 1.00 0.00 O ATOM 1231 CB LYS A 79 95.901 -5.342 3.006 1.00 0.00 C ATOM 1232 CG LYS A 79 97.263 -5.744 3.587 1.00 0.00 C ATOM 1233 CD LYS A 79 97.453 -7.252 3.430 1.00 0.00 C ATOM 1234 CE LYS A 79 98.683 -7.701 4.221 1.00 0.00 C ATOM 1235 NZ LYS A 79 98.898 -9.161 4.015 1.00 0.00 N1+ ATOM 0 H LYS A 79 94.827 -3.666 4.552 1.00 0.00 H new ATOM 0 HA LYS A 79 96.878 -3.487 2.497 1.00 0.00 H new ATOM 0 HB2 LYS A 79 95.106 -5.610 3.702 1.00 0.00 H new ATOM 0 HB3 LYS A 79 95.714 -5.890 2.083 1.00 0.00 H new ATOM 0 HG2 LYS A 79 98.062 -5.210 3.074 1.00 0.00 H new ATOM 0 HG3 LYS A 79 97.319 -5.466 4.640 1.00 0.00 H new ATOM 0 HD2 LYS A 79 96.568 -7.779 3.786 1.00 0.00 H new ATOM 0 HD3 LYS A 79 97.573 -7.506 2.377 1.00 0.00 H new ATOM 0 HE2 LYS A 79 99.561 -7.143 3.896 1.00 0.00 H new ATOM 0 HE3 LYS A 79 98.545 -7.489 5.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 99.734 -9.468 4.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 98.063 -9.685 4.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 99.048 -9.351 3.003 1.00 0.00 H new ATOM 1249 N MET A 80 95.318 -2.514 0.767 1.00 0.00 N ATOM 1250 CA MET A 80 94.543 -2.148 -0.417 1.00 0.00 C ATOM 1251 C MET A 80 95.248 -1.040 -1.200 1.00 0.00 C ATOM 1252 O MET A 80 95.094 0.143 -0.898 1.00 0.00 O ATOM 1253 CB MET A 80 93.137 -1.679 -0.011 1.00 0.00 C ATOM 1254 CG MET A 80 92.463 -0.965 -1.192 1.00 0.00 C ATOM 1255 SD MET A 80 90.661 -1.127 -1.065 1.00 0.00 S ATOM 1256 CE MET A 80 90.234 0.475 -1.794 1.00 0.00 C ATOM 0 H MET A 80 96.131 -1.923 0.941 1.00 0.00 H new ATOM 0 HA MET A 80 94.457 -3.029 -1.053 1.00 0.00 H new ATOM 0 HB2 MET A 80 92.535 -2.533 0.301 1.00 0.00 H new ATOM 0 HB3 MET A 80 93.201 -1.006 0.844 1.00 0.00 H new ATOM 0 HG2 MET A 80 92.742 0.089 -1.199 1.00 0.00 H new ATOM 0 HG3 MET A 80 92.810 -1.393 -2.133 1.00 0.00 H new ATOM 0 HE1 MET A 80 89.356 0.363 -2.430 1.00 0.00 H new ATOM 0 HE2 MET A 80 90.019 1.190 -1.000 1.00 0.00 H new ATOM 0 HE3 MET A 80 91.070 0.837 -2.392 1.00 0.00 H new ATOM 1266 N ILE A 81 96.015 -1.438 -2.215 1.00 0.00 N ATOM 1267 CA ILE A 81 96.737 -0.481 -3.052 1.00 0.00 C ATOM 1268 C ILE A 81 96.423 -0.732 -4.525 1.00 0.00 C ATOM 1269 O ILE A 81 96.953 -1.663 -5.132 1.00 0.00 O ATOM 1270 CB ILE A 81 98.248 -0.613 -2.829 1.00 0.00 C ATOM 1271 CG1 ILE A 81 98.593 -0.212 -1.389 1.00 0.00 C ATOM 1272 CG2 ILE A 81 98.989 0.309 -3.800 1.00 0.00 C ATOM 1273 CD1 ILE A 81 98.219 -1.339 -0.415 1.00 0.00 C ATOM 0 H ILE A 81 96.152 -2.414 -2.477 1.00 0.00 H new ATOM 0 HA ILE A 81 96.419 0.525 -2.778 1.00 0.00 H new ATOM 0 HB ILE A 81 98.549 -1.646 -3.002 1.00 0.00 H new ATOM 0 HG12 ILE A 81 99.658 0.006 -1.311 1.00 0.00 H new ATOM 0 HG13 ILE A 81 98.060 0.700 -1.121 1.00 0.00 H new ATOM 0 HG21 ILE A 81 100.063 0.216 -3.642 1.00 0.00 H new ATOM 0 HG22 ILE A 81 98.747 0.028 -4.825 1.00 0.00 H new ATOM 0 HG23 ILE A 81 98.685 1.341 -3.626 1.00 0.00 H new ATOM 0 HD11 ILE A 81 98.470 -1.039 0.602 1.00 0.00 H new ATOM 0 HD12 ILE A 81 97.149 -1.537 -0.481 1.00 0.00 H new ATOM 0 HD13 ILE A 81 98.772 -2.242 -0.674 1.00 0.00 H new ATOM 1285 N PHE A 82 95.560 0.104 -5.094 1.00 0.00 N ATOM 1286 CA PHE A 82 95.184 -0.040 -6.499 1.00 0.00 C ATOM 1287 C PHE A 82 95.130 1.325 -7.181 1.00 0.00 C ATOM 1288 O PHE A 82 96.039 1.692 -7.925 1.00 0.00 O ATOM 1289 CB PHE A 82 93.820 -0.726 -6.606 1.00 0.00 C ATOM 1290 CG PHE A 82 93.379 -0.759 -8.051 1.00 0.00 C ATOM 1291 CD1 PHE A 82 93.905 -1.720 -8.922 1.00 0.00 C ATOM 1292 CD2 PHE A 82 92.444 0.173 -8.519 1.00 0.00 C ATOM 1293 CE1 PHE A 82 93.496 -1.750 -10.262 1.00 0.00 C ATOM 1294 CE2 PHE A 82 92.036 0.143 -9.859 1.00 0.00 C ATOM 1295 CZ PHE A 82 92.561 -0.819 -10.729 1.00 0.00 C ATOM 0 H PHE A 82 95.111 0.882 -4.611 1.00 0.00 H new ATOM 0 HA PHE A 82 95.936 -0.651 -6.998 1.00 0.00 H new ATOM 0 HB2 PHE A 82 93.880 -1.740 -6.211 1.00 0.00 H new ATOM 0 HB3 PHE A 82 93.085 -0.192 -6.003 1.00 0.00 H new ATOM 0 HD1 PHE A 82 94.626 -2.439 -8.561 1.00 0.00 H new ATOM 0 HD2 PHE A 82 92.038 0.915 -7.847 1.00 0.00 H new ATOM 0 HE1 PHE A 82 93.902 -2.491 -10.934 1.00 0.00 H new ATOM 0 HE2 PHE A 82 91.316 0.862 -10.220 1.00 0.00 H new ATOM 0 HZ PHE A 82 92.245 -0.843 -11.761 1.00 0.00 H new ATOM 1305 N ALA A 83 94.061 2.070 -6.926 1.00 0.00 N ATOM 1306 CA ALA A 83 93.904 3.391 -7.524 1.00 0.00 C ATOM 1307 C ALA A 83 92.761 4.149 -6.860 1.00 0.00 C ATOM 1308 O ALA A 83 91.606 3.729 -6.921 1.00 0.00 O ATOM 1309 CB ALA A 83 93.624 3.255 -9.022 1.00 0.00 C ATOM 0 H ALA A 83 93.296 1.786 -6.315 1.00 0.00 H new ATOM 0 HA ALA A 83 94.829 3.948 -7.375 1.00 0.00 H new ATOM 0 HB1 ALA A 83 93.508 4.246 -9.462 1.00 0.00 H new ATOM 0 HB2 ALA A 83 94.456 2.740 -9.502 1.00 0.00 H new ATOM 0 HB3 ALA A 83 92.708 2.682 -9.171 1.00 0.00 H new ATOM 1315 N GLY A 84 93.090 5.272 -6.229 1.00 0.00 N ATOM 1316 CA GLY A 84 92.079 6.083 -5.561 1.00 0.00 C ATOM 1317 C GLY A 84 91.243 6.850 -6.578 1.00 0.00 C ATOM 1318 O GLY A 84 91.676 7.076 -7.708 1.00 0.00 O ATOM 0 H GLY A 84 94.040 5.638 -6.166 1.00 0.00 H new ATOM 0 HA2 GLY A 84 91.432 5.444 -4.960 1.00 0.00 H new ATOM 0 HA3 GLY A 84 92.560 6.782 -4.878 1.00 0.00 H new ATOM 1322 N ILE A 85 90.043 7.246 -6.171 1.00 0.00 N ATOM 1323 CA ILE A 85 89.152 7.988 -7.055 1.00 0.00 C ATOM 1324 C ILE A 85 89.675 9.408 -7.264 1.00 0.00 C ATOM 1325 O ILE A 85 90.549 9.868 -6.528 1.00 0.00 O ATOM 1326 CB ILE A 85 87.749 8.032 -6.450 1.00 0.00 C ATOM 1327 CG1 ILE A 85 87.185 6.603 -6.343 1.00 0.00 C ATOM 1328 CG2 ILE A 85 86.833 8.885 -7.329 1.00 0.00 C ATOM 1329 CD1 ILE A 85 86.485 6.206 -7.647 1.00 0.00 C ATOM 0 H ILE A 85 89.666 7.067 -5.240 1.00 0.00 H new ATOM 0 HA ILE A 85 89.112 7.486 -8.022 1.00 0.00 H new ATOM 0 HB ILE A 85 87.801 8.473 -5.454 1.00 0.00 H new ATOM 0 HG12 ILE A 85 87.992 5.902 -6.128 1.00 0.00 H new ATOM 0 HG13 ILE A 85 86.481 6.544 -5.513 1.00 0.00 H new ATOM 0 HG21 ILE A 85 85.834 8.913 -6.894 1.00 0.00 H new ATOM 0 HG22 ILE A 85 87.230 9.898 -7.393 1.00 0.00 H new ATOM 0 HG23 ILE A 85 86.781 8.452 -8.328 1.00 0.00 H new ATOM 0 HD11 ILE A 85 86.092 5.193 -7.555 1.00 0.00 H new ATOM 0 HD12 ILE A 85 85.666 6.897 -7.845 1.00 0.00 H new ATOM 0 HD13 ILE A 85 87.199 6.245 -8.470 1.00 0.00 H new ATOM 1341 N LYS A 86 89.149 10.094 -8.279 1.00 0.00 N ATOM 1342 CA LYS A 86 89.588 11.455 -8.582 1.00 0.00 C ATOM 1343 C LYS A 86 88.477 12.474 -8.320 1.00 0.00 C ATOM 1344 O LYS A 86 88.635 13.371 -7.489 1.00 0.00 O ATOM 1345 CB LYS A 86 90.033 11.550 -10.050 1.00 0.00 C ATOM 1346 CG LYS A 86 90.595 10.201 -10.527 1.00 0.00 C ATOM 1347 CD LYS A 86 91.920 9.892 -9.810 1.00 0.00 C ATOM 1348 CE LYS A 86 93.087 10.535 -10.567 1.00 0.00 C ATOM 1349 NZ LYS A 86 93.503 9.645 -11.689 1.00 0.00 N1+ ATOM 0 H LYS A 86 88.425 9.733 -8.900 1.00 0.00 H new ATOM 0 HA LYS A 86 90.427 11.686 -7.926 1.00 0.00 H new ATOM 0 HB2 LYS A 86 89.188 11.841 -10.675 1.00 0.00 H new ATOM 0 HB3 LYS A 86 90.791 12.326 -10.158 1.00 0.00 H new ATOM 0 HG2 LYS A 86 89.873 9.408 -10.330 1.00 0.00 H new ATOM 0 HG3 LYS A 86 90.754 10.226 -11.605 1.00 0.00 H new ATOM 0 HD2 LYS A 86 91.887 10.269 -8.788 1.00 0.00 H new ATOM 0 HD3 LYS A 86 92.066 8.814 -9.747 1.00 0.00 H new ATOM 0 HE2 LYS A 86 92.791 11.510 -10.953 1.00 0.00 H new ATOM 0 HE3 LYS A 86 93.925 10.701 -9.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 94.295 10.081 -12.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 93.802 8.724 -11.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 92.702 9.508 -12.339 1.00 0.00 H new ATOM 1363 N LYS A 87 87.363 12.352 -9.040 1.00 0.00 N ATOM 1364 CA LYS A 87 86.256 13.292 -8.876 1.00 0.00 C ATOM 1365 C LYS A 87 85.362 12.906 -7.700 1.00 0.00 C ATOM 1366 O LYS A 87 85.347 11.753 -7.267 1.00 0.00 O ATOM 1367 CB LYS A 87 85.422 13.343 -10.157 1.00 0.00 C ATOM 1368 CG LYS A 87 86.314 13.749 -11.332 1.00 0.00 C ATOM 1369 CD LYS A 87 85.453 13.959 -12.578 1.00 0.00 C ATOM 1370 CE LYS A 87 86.355 14.113 -13.804 1.00 0.00 C ATOM 1371 NZ LYS A 87 85.521 14.430 -14.998 1.00 0.00 N1+ ATOM 0 H LYS A 87 87.204 11.621 -9.734 1.00 0.00 H new ATOM 0 HA LYS A 87 86.681 14.275 -8.671 1.00 0.00 H new ATOM 0 HB2 LYS A 87 84.971 12.369 -10.349 1.00 0.00 H new ATOM 0 HB3 LYS A 87 84.605 14.056 -10.044 1.00 0.00 H new ATOM 0 HG2 LYS A 87 86.855 14.665 -11.092 1.00 0.00 H new ATOM 0 HG3 LYS A 87 87.061 12.977 -11.519 1.00 0.00 H new ATOM 0 HD2 LYS A 87 84.779 13.113 -12.714 1.00 0.00 H new ATOM 0 HD3 LYS A 87 84.831 14.846 -12.458 1.00 0.00 H new ATOM 0 HE2 LYS A 87 87.084 14.906 -13.635 1.00 0.00 H new ATOM 0 HE3 LYS A 87 86.917 13.194 -13.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 86.134 14.535 -15.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 84.842 13.659 -15.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 85.004 15.318 -14.835 1.00 0.00 H new ATOM 1385 N LYS A 88 84.616 13.883 -7.192 1.00 0.00 N ATOM 1386 CA LYS A 88 83.717 13.646 -6.070 1.00 0.00 C ATOM 1387 C LYS A 88 82.523 12.806 -6.508 1.00 0.00 C ATOM 1388 O LYS A 88 82.079 11.921 -5.779 1.00 0.00 O ATOM 1389 CB LYS A 88 83.231 14.982 -5.496 1.00 0.00 C ATOM 1390 CG LYS A 88 82.120 14.744 -4.455 1.00 0.00 C ATOM 1391 CD LYS A 88 80.755 15.086 -5.061 1.00 0.00 C ATOM 1392 CE LYS A 88 79.672 14.961 -3.988 1.00 0.00 C ATOM 1393 NZ LYS A 88 80.034 15.806 -2.815 1.00 0.00 N1+ ATOM 0 H LYS A 88 84.617 14.842 -7.539 1.00 0.00 H new ATOM 0 HA LYS A 88 84.262 13.101 -5.299 1.00 0.00 H new ATOM 0 HB2 LYS A 88 84.064 15.512 -5.034 1.00 0.00 H new ATOM 0 HB3 LYS A 88 82.856 15.616 -6.299 1.00 0.00 H new ATOM 0 HG2 LYS A 88 82.132 13.704 -4.129 1.00 0.00 H new ATOM 0 HG3 LYS A 88 82.300 15.357 -3.572 1.00 0.00 H new ATOM 0 HD2 LYS A 88 80.768 16.099 -5.463 1.00 0.00 H new ATOM 0 HD3 LYS A 88 80.537 14.416 -5.892 1.00 0.00 H new ATOM 0 HE2 LYS A 88 78.708 15.273 -4.391 1.00 0.00 H new ATOM 0 HE3 LYS A 88 79.567 13.920 -3.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 79.168 16.165 -2.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 80.570 15.237 -2.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 80.617 16.607 -3.131 1.00 0.00 H new ATOM 1407 N THR A 89 82.005 13.083 -7.702 1.00 0.00 N ATOM 1408 CA THR A 89 80.863 12.333 -8.210 1.00 0.00 C ATOM 1409 C THR A 89 81.245 10.877 -8.434 1.00 0.00 C ATOM 1410 O THR A 89 80.397 9.989 -8.388 1.00 0.00 O ATOM 1411 CB THR A 89 80.367 12.932 -9.523 1.00 0.00 C ATOM 1412 OG1 THR A 89 81.444 13.008 -10.446 1.00 0.00 O ATOM 1413 CG2 THR A 89 79.805 14.332 -9.271 1.00 0.00 C ATOM 0 H THR A 89 82.353 13.810 -8.327 1.00 0.00 H new ATOM 0 HA THR A 89 80.065 12.389 -7.469 1.00 0.00 H new ATOM 0 HB THR A 89 79.581 12.299 -9.935 1.00 0.00 H new ATOM 0 HG1 THR A 89 81.125 13.391 -11.290 1.00 0.00 H new ATOM 0 HG21 THR A 89 79.452 14.757 -10.211 1.00 0.00 H new ATOM 0 HG22 THR A 89 78.976 14.270 -8.566 1.00 0.00 H new ATOM 0 HG23 THR A 89 80.587 14.969 -8.856 1.00 0.00 H new ATOM 1421 N GLU A 90 82.530 10.638 -8.669 1.00 0.00 N ATOM 1422 CA GLU A 90 83.005 9.279 -8.885 1.00 0.00 C ATOM 1423 C GLU A 90 82.865 8.489 -7.590 1.00 0.00 C ATOM 1424 O GLU A 90 82.497 7.314 -7.600 1.00 0.00 O ATOM 1425 CB GLU A 90 84.469 9.293 -9.336 1.00 0.00 C ATOM 1426 CG GLU A 90 84.552 9.664 -10.818 1.00 0.00 C ATOM 1427 CD GLU A 90 85.971 10.098 -11.169 1.00 0.00 C ATOM 1428 OE1 GLU A 90 86.886 9.671 -10.486 1.00 0.00 O1- ATOM 1429 OE2 GLU A 90 86.121 10.854 -12.115 1.00 0.00 O ATOM 0 H GLU A 90 83.252 11.357 -8.714 1.00 0.00 H new ATOM 0 HA GLU A 90 82.408 8.808 -9.666 1.00 0.00 H new ATOM 0 HB2 GLU A 90 85.036 10.009 -8.740 1.00 0.00 H new ATOM 0 HB3 GLU A 90 84.919 8.314 -9.171 1.00 0.00 H new ATOM 0 HG2 GLU A 90 84.262 8.811 -11.432 1.00 0.00 H new ATOM 0 HG3 GLU A 90 83.851 10.469 -11.039 1.00 0.00 H new ATOM 1436 N ARG A 91 83.144 9.156 -6.474 1.00 0.00 N ATOM 1437 CA ARG A 91 83.029 8.529 -5.166 1.00 0.00 C ATOM 1438 C ARG A 91 81.564 8.441 -4.763 1.00 0.00 C ATOM 1439 O ARG A 91 81.084 7.384 -4.364 1.00 0.00 O ATOM 1440 CB ARG A 91 83.788 9.347 -4.120 1.00 0.00 C ATOM 1441 CG ARG A 91 85.222 9.589 -4.589 1.00 0.00 C ATOM 1442 CD ARG A 91 86.010 10.325 -3.497 1.00 0.00 C ATOM 1443 NE ARG A 91 86.685 11.488 -4.064 1.00 0.00 N ATOM 1444 CZ ARG A 91 87.182 12.443 -3.284 1.00 0.00 C ATOM 1445 NH1 ARG A 91 87.079 12.346 -1.986 1.00 0.00 N ATOM 1446 NH2 ARG A 91 87.776 13.476 -3.815 1.00 0.00 N1+ ATOM 0 H ARG A 91 83.451 10.129 -6.451 1.00 0.00 H new ATOM 0 HA ARG A 91 83.456 7.528 -5.221 1.00 0.00 H new ATOM 0 HB2 ARG A 91 83.284 10.300 -3.955 1.00 0.00 H new ATOM 0 HB3 ARG A 91 83.792 8.819 -3.166 1.00 0.00 H new ATOM 0 HG2 ARG A 91 85.704 8.639 -4.820 1.00 0.00 H new ATOM 0 HG3 ARG A 91 85.220 10.177 -5.507 1.00 0.00 H new ATOM 0 HD2 ARG A 91 85.336 10.639 -2.700 1.00 0.00 H new ATOM 0 HD3 ARG A 91 86.742 9.652 -3.049 1.00 0.00 H new ATOM 0 HE ARG A 91 86.777 11.570 -5.077 1.00 0.00 H new ATOM 0 HH11 ARG A 91 86.617 11.537 -1.570 1.00 0.00 H new ATOM 0 HH12 ARG A 91 87.460 13.079 -1.388 1.00 0.00 H new ATOM 0 HH21 ARG A 91 87.859 13.551 -4.829 1.00 0.00 H new ATOM 0 HH22 ARG A 91 88.157 14.209 -3.216 1.00 0.00 H new ATOM 1460 N GLU A 92 80.857 9.561 -4.875 1.00 0.00 N ATOM 1461 CA GLU A 92 79.443 9.595 -4.521 1.00 0.00 C ATOM 1462 C GLU A 92 78.682 8.535 -5.306 1.00 0.00 C ATOM 1463 O GLU A 92 77.982 7.704 -4.728 1.00 0.00 O ATOM 1464 CB GLU A 92 78.858 10.977 -4.822 1.00 0.00 C ATOM 1465 CG GLU A 92 77.538 11.150 -4.066 1.00 0.00 C ATOM 1466 CD GLU A 92 76.835 12.422 -4.526 1.00 0.00 C ATOM 1467 OE1 GLU A 92 77.521 13.326 -4.973 1.00 0.00 O1- ATOM 1468 OE2 GLU A 92 75.620 12.474 -4.425 1.00 0.00 O ATOM 0 H GLU A 92 81.236 10.449 -5.205 1.00 0.00 H new ATOM 0 HA GLU A 92 79.345 9.390 -3.455 1.00 0.00 H new ATOM 0 HB2 GLU A 92 79.563 11.754 -4.526 1.00 0.00 H new ATOM 0 HB3 GLU A 92 78.693 11.088 -5.894 1.00 0.00 H new ATOM 0 HG2 GLU A 92 76.895 10.287 -4.239 1.00 0.00 H new ATOM 0 HG3 GLU A 92 77.727 11.197 -2.994 1.00 0.00 H new ATOM 1475 N ASP A 93 78.832 8.562 -6.628 1.00 0.00 N ATOM 1476 CA ASP A 93 78.162 7.587 -7.479 1.00 0.00 C ATOM 1477 C ASP A 93 78.599 6.176 -7.101 1.00 0.00 C ATOM 1478 O ASP A 93 77.768 5.297 -6.873 1.00 0.00 O ATOM 1479 CB ASP A 93 78.500 7.854 -8.947 1.00 0.00 C ATOM 1480 CG ASP A 93 78.068 9.263 -9.335 1.00 0.00 C ATOM 1481 OD1 ASP A 93 77.738 10.027 -8.443 1.00 0.00 O ATOM 1482 OD2 ASP A 93 78.074 9.558 -10.519 1.00 0.00 O1- ATOM 0 H ASP A 93 79.406 9.242 -7.128 1.00 0.00 H new ATOM 0 HA ASP A 93 77.085 7.678 -7.337 1.00 0.00 H new ATOM 0 HB2 ASP A 93 79.571 7.736 -9.109 1.00 0.00 H new ATOM 0 HB3 ASP A 93 77.999 7.124 -9.582 1.00 0.00 H new ATOM 1487 N LEU A 94 79.911 5.971 -7.029 1.00 0.00 N ATOM 1488 CA LEU A 94 80.455 4.666 -6.670 1.00 0.00 C ATOM 1489 C LEU A 94 79.898 4.209 -5.334 1.00 0.00 C ATOM 1490 O LEU A 94 79.665 3.019 -5.117 1.00 0.00 O ATOM 1491 CB LEU A 94 81.980 4.745 -6.570 1.00 0.00 C ATOM 1492 CG LEU A 94 82.545 3.404 -6.097 1.00 0.00 C ATOM 1493 CD1 LEU A 94 82.066 2.290 -7.025 1.00 0.00 C ATOM 1494 CD2 LEU A 94 84.074 3.463 -6.114 1.00 0.00 C ATOM 0 H LEU A 94 80.613 6.687 -7.213 1.00 0.00 H new ATOM 0 HA LEU A 94 80.171 3.952 -7.444 1.00 0.00 H new ATOM 0 HB2 LEU A 94 82.403 5.005 -7.540 1.00 0.00 H new ATOM 0 HB3 LEU A 94 82.266 5.535 -5.875 1.00 0.00 H new ATOM 0 HG LEU A 94 82.200 3.201 -5.083 1.00 0.00 H new ATOM 0 HD11 LEU A 94 82.470 1.336 -6.686 1.00 0.00 H new ATOM 0 HD12 LEU A 94 80.977 2.249 -7.012 1.00 0.00 H new ATOM 0 HD13 LEU A 94 82.409 2.489 -8.040 1.00 0.00 H new ATOM 0 HD21 LEU A 94 84.479 2.509 -5.777 1.00 0.00 H new ATOM 0 HD22 LEU A 94 84.419 3.666 -7.128 1.00 0.00 H new ATOM 0 HD23 LEU A 94 84.415 4.256 -5.449 1.00 0.00 H new ATOM 1506 N ILE A 95 79.700 5.162 -4.433 1.00 0.00 N ATOM 1507 CA ILE A 95 79.188 4.846 -3.114 1.00 0.00 C ATOM 1508 C ILE A 95 77.689 4.592 -3.171 1.00 0.00 C ATOM 1509 O ILE A 95 77.162 3.775 -2.417 1.00 0.00 O ATOM 1510 CB ILE A 95 79.520 5.982 -2.138 1.00 0.00 C ATOM 1511 CG1 ILE A 95 80.990 5.836 -1.696 1.00 0.00 C ATOM 1512 CG2 ILE A 95 78.599 5.911 -0.909 1.00 0.00 C ATOM 1513 CD1 ILE A 95 81.659 7.208 -1.566 1.00 0.00 C ATOM 0 H ILE A 95 79.886 6.152 -4.593 1.00 0.00 H new ATOM 0 HA ILE A 95 79.667 3.935 -2.756 1.00 0.00 H new ATOM 0 HB ILE A 95 79.370 6.944 -2.629 1.00 0.00 H new ATOM 0 HG12 ILE A 95 81.037 5.312 -0.741 1.00 0.00 H new ATOM 0 HG13 ILE A 95 81.533 5.229 -2.420 1.00 0.00 H new ATOM 0 HG21 ILE A 95 78.844 6.722 -0.223 1.00 0.00 H new ATOM 0 HG22 ILE A 95 77.561 6.005 -1.227 1.00 0.00 H new ATOM 0 HG23 ILE A 95 78.739 4.955 -0.404 1.00 0.00 H new ATOM 0 HD11 ILE A 95 82.695 7.079 -1.253 1.00 0.00 H new ATOM 0 HD12 ILE A 95 81.631 7.719 -2.528 1.00 0.00 H new ATOM 0 HD13 ILE A 95 81.127 7.803 -0.824 1.00 0.00 H new ATOM 1525 N ALA A 96 77.009 5.272 -4.084 1.00 0.00 N ATOM 1526 CA ALA A 96 75.577 5.076 -4.236 1.00 0.00 C ATOM 1527 C ALA A 96 75.311 3.613 -4.564 1.00 0.00 C ATOM 1528 O ALA A 96 74.340 3.018 -4.091 1.00 0.00 O ATOM 1529 CB ALA A 96 75.038 5.970 -5.352 1.00 0.00 C ATOM 0 H ALA A 96 77.420 5.954 -4.721 1.00 0.00 H new ATOM 0 HA ALA A 96 75.072 5.342 -3.308 1.00 0.00 H new ATOM 0 HB1 ALA A 96 73.964 5.814 -5.456 1.00 0.00 H new ATOM 0 HB2 ALA A 96 75.231 7.014 -5.107 1.00 0.00 H new ATOM 0 HB3 ALA A 96 75.534 5.720 -6.290 1.00 0.00 H new ATOM 1535 N TYR A 97 76.202 3.034 -5.364 1.00 0.00 N ATOM 1536 CA TYR A 97 76.079 1.636 -5.740 1.00 0.00 C ATOM 1537 C TYR A 97 76.455 0.749 -4.559 1.00 0.00 C ATOM 1538 O TYR A 97 75.673 -0.097 -4.140 1.00 0.00 O ATOM 1539 CB TYR A 97 76.987 1.322 -6.933 1.00 0.00 C ATOM 1540 CG TYR A 97 77.048 -0.175 -7.143 1.00 0.00 C ATOM 1541 CD1 TYR A 97 75.987 -0.837 -7.770 1.00 0.00 C ATOM 1542 CD2 TYR A 97 78.163 -0.898 -6.704 1.00 0.00 C ATOM 1543 CE1 TYR A 97 76.041 -2.224 -7.961 1.00 0.00 C ATOM 1544 CE2 TYR A 97 78.218 -2.284 -6.895 1.00 0.00 C ATOM 1545 CZ TYR A 97 77.157 -2.947 -7.524 1.00 0.00 C ATOM 1546 OH TYR A 97 77.210 -4.313 -7.710 1.00 0.00 O ATOM 0 H TYR A 97 77.012 3.511 -5.761 1.00 0.00 H new ATOM 0 HA TYR A 97 75.045 1.440 -6.025 1.00 0.00 H new ATOM 0 HB2 TYR A 97 76.607 1.810 -7.831 1.00 0.00 H new ATOM 0 HB3 TYR A 97 77.988 1.716 -6.755 1.00 0.00 H new ATOM 0 HD1 TYR A 97 75.126 -0.279 -8.107 1.00 0.00 H new ATOM 0 HD2 TYR A 97 78.981 -0.387 -6.218 1.00 0.00 H new ATOM 0 HE1 TYR A 97 75.222 -2.735 -8.445 1.00 0.00 H new ATOM 0 HE2 TYR A 97 79.079 -2.842 -6.557 1.00 0.00 H new ATOM 0 HH TYR A 97 78.129 -4.578 -7.925 1.00 0.00 H new ATOM 1556 N LEU A 98 77.656 0.953 -4.023 1.00 0.00 N ATOM 1557 CA LEU A 98 78.117 0.163 -2.887 1.00 0.00 C ATOM 1558 C LEU A 98 77.014 0.054 -1.834 1.00 0.00 C ATOM 1559 O LEU A 98 76.989 -0.888 -1.045 1.00 0.00 O ATOM 1560 CB LEU A 98 79.359 0.819 -2.263 1.00 0.00 C ATOM 1561 CG LEU A 98 80.619 0.411 -3.045 1.00 0.00 C ATOM 1562 CD1 LEU A 98 81.706 1.478 -2.896 1.00 0.00 C ATOM 1563 CD2 LEU A 98 81.151 -0.912 -2.494 1.00 0.00 C ATOM 0 H LEU A 98 78.321 1.652 -4.354 1.00 0.00 H new ATOM 0 HA LEU A 98 78.373 -0.836 -3.239 1.00 0.00 H new ATOM 0 HB2 LEU A 98 79.251 1.904 -2.272 1.00 0.00 H new ATOM 0 HB3 LEU A 98 79.455 0.517 -1.220 1.00 0.00 H new ATOM 0 HG LEU A 98 80.358 0.305 -4.098 1.00 0.00 H new ATOM 0 HD11 LEU A 98 82.592 1.176 -3.455 1.00 0.00 H new ATOM 0 HD12 LEU A 98 81.339 2.428 -3.284 1.00 0.00 H new ATOM 0 HD13 LEU A 98 81.963 1.591 -1.843 1.00 0.00 H new ATOM 0 HD21 LEU A 98 82.044 -1.203 -3.047 1.00 0.00 H new ATOM 0 HD22 LEU A 98 81.399 -0.793 -1.439 1.00 0.00 H new ATOM 0 HD23 LEU A 98 80.389 -1.684 -2.603 1.00 0.00 H new ATOM 1575 N LYS A 99 76.105 1.026 -1.829 1.00 0.00 N ATOM 1576 CA LYS A 99 75.007 1.029 -0.866 1.00 0.00 C ATOM 1577 C LYS A 99 73.912 0.052 -1.282 1.00 0.00 C ATOM 1578 O LYS A 99 73.507 -0.810 -0.502 1.00 0.00 O ATOM 1579 CB LYS A 99 74.413 2.437 -0.748 1.00 0.00 C ATOM 1580 CG LYS A 99 75.331 3.314 0.107 1.00 0.00 C ATOM 1581 CD LYS A 99 74.805 4.753 0.118 1.00 0.00 C ATOM 1582 CE LYS A 99 73.462 4.813 0.851 1.00 0.00 C ATOM 1583 NZ LYS A 99 73.215 6.207 1.317 1.00 0.00 N1+ ATOM 0 H LYS A 99 76.106 1.815 -2.475 1.00 0.00 H new ATOM 0 HA LYS A 99 75.406 0.717 0.099 1.00 0.00 H new ATOM 0 HB2 LYS A 99 74.294 2.876 -1.739 1.00 0.00 H new ATOM 0 HB3 LYS A 99 73.421 2.387 -0.300 1.00 0.00 H new ATOM 0 HG2 LYS A 99 75.377 2.926 1.124 1.00 0.00 H new ATOM 0 HG3 LYS A 99 76.346 3.290 -0.290 1.00 0.00 H new ATOM 0 HD2 LYS A 99 75.525 5.409 0.607 1.00 0.00 H new ATOM 0 HD3 LYS A 99 74.688 5.114 -0.904 1.00 0.00 H new ATOM 0 HE2 LYS A 99 72.659 4.492 0.188 1.00 0.00 H new ATOM 0 HE3 LYS A 99 73.468 4.129 1.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 72.303 6.250 1.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 73.977 6.497 1.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 73.193 6.848 0.498 1.00 0.00 H new ATOM 1597 N LYS A 100 73.428 0.197 -2.512 1.00 0.00 N ATOM 1598 CA LYS A 100 72.370 -0.675 -3.012 1.00 0.00 C ATOM 1599 C LYS A 100 72.917 -2.060 -3.350 1.00 0.00 C ATOM 1600 O LYS A 100 72.161 -3.020 -3.484 1.00 0.00 O ATOM 1601 CB LYS A 100 71.734 -0.058 -4.260 1.00 0.00 C ATOM 1602 CG LYS A 100 70.498 -0.870 -4.661 1.00 0.00 C ATOM 1603 CD LYS A 100 69.646 -0.066 -5.652 1.00 0.00 C ATOM 1604 CE LYS A 100 68.671 0.835 -4.887 1.00 0.00 C ATOM 1605 NZ LYS A 100 67.520 0.021 -4.403 1.00 0.00 N1+ ATOM 0 H LYS A 100 73.748 0.903 -3.175 1.00 0.00 H new ATOM 0 HA LYS A 100 71.618 -0.780 -2.230 1.00 0.00 H new ATOM 0 HB2 LYS A 100 71.454 0.977 -4.064 1.00 0.00 H new ATOM 0 HB3 LYS A 100 72.454 -0.044 -5.078 1.00 0.00 H new ATOM 0 HG2 LYS A 100 70.803 -1.814 -5.112 1.00 0.00 H new ATOM 0 HG3 LYS A 100 69.910 -1.114 -3.777 1.00 0.00 H new ATOM 0 HD2 LYS A 100 70.289 0.539 -6.291 1.00 0.00 H new ATOM 0 HD3 LYS A 100 69.094 -0.743 -6.304 1.00 0.00 H new ATOM 0 HE2 LYS A 100 69.178 1.305 -4.044 1.00 0.00 H new ATOM 0 HE3 LYS A 100 68.317 1.638 -5.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 66.652 0.593 -4.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 67.406 -0.815 -5.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 67.698 -0.284 -3.425 1.00 0.00 H new ATOM 1619 N ALA A 101 74.234 -2.153 -3.484 1.00 0.00 N ATOM 1620 CA ALA A 101 74.877 -3.422 -3.804 1.00 0.00 C ATOM 1621 C ALA A 101 75.156 -4.211 -2.532 1.00 0.00 C ATOM 1622 O ALA A 101 75.141 -5.442 -2.535 1.00 0.00 O ATOM 1623 CB ALA A 101 76.189 -3.170 -4.550 1.00 0.00 C ATOM 0 H ALA A 101 74.876 -1.368 -3.377 1.00 0.00 H new ATOM 0 HA ALA A 101 74.206 -4.000 -4.439 1.00 0.00 H new ATOM 0 HB1 ALA A 101 76.663 -4.123 -4.785 1.00 0.00 H new ATOM 0 HB2 ALA A 101 75.984 -2.629 -5.474 1.00 0.00 H new ATOM 0 HB3 ALA A 101 76.856 -2.578 -3.923 1.00 0.00 H new ATOM 1629 N THR A 102 75.406 -3.490 -1.443 1.00 0.00 N ATOM 1630 CA THR A 102 75.685 -4.127 -0.163 1.00 0.00 C ATOM 1631 C THR A 102 74.383 -4.382 0.580 1.00 0.00 C ATOM 1632 O THR A 102 74.368 -4.989 1.651 1.00 0.00 O ATOM 1633 CB THR A 102 76.596 -3.231 0.679 1.00 0.00 C ATOM 1634 OG1 THR A 102 76.007 -1.943 0.800 1.00 0.00 O ATOM 1635 CG2 THR A 102 77.961 -3.112 0.001 1.00 0.00 C ATOM 0 H THR A 102 75.421 -2.470 -1.422 1.00 0.00 H new ATOM 0 HA THR A 102 76.188 -5.078 -0.341 1.00 0.00 H new ATOM 0 HB THR A 102 76.723 -3.666 1.670 1.00 0.00 H new ATOM 0 HG1 THR A 102 76.487 -1.309 0.227 1.00 0.00 H new ATOM 0 HG21 THR A 102 78.610 -2.474 0.600 1.00 0.00 H new ATOM 0 HG22 THR A 102 78.409 -4.101 -0.091 1.00 0.00 H new ATOM 0 HG23 THR A 102 77.838 -2.676 -0.990 1.00 0.00 H new ATOM 1643 N ASN A 103 73.290 -3.908 -0.007 1.00 0.00 N ATOM 1644 CA ASN A 103 71.971 -4.078 0.585 1.00 0.00 C ATOM 1645 C ASN A 103 71.288 -5.312 0.005 1.00 0.00 C ATOM 1646 O ASN A 103 70.423 -5.913 0.643 1.00 0.00 O ATOM 1647 CB ASN A 103 71.121 -2.838 0.301 1.00 0.00 C ATOM 1648 CG ASN A 103 71.494 -1.714 1.259 1.00 0.00 C ATOM 1649 OD1 ASN A 103 72.703 -1.655 1.738 1.00 0.00 O flip ATOM 1650 ND2 ASN A 103 70.658 -0.869 1.580 1.00 0.00 N flip ATOM 0 H ASN A 103 73.293 -3.403 -0.893 1.00 0.00 H new ATOM 0 HA ASN A 103 72.079 -4.209 1.662 1.00 0.00 H new ATOM 0 HB2 ASN A 103 71.271 -2.513 -0.729 1.00 0.00 H new ATOM 0 HB3 ASN A 103 70.064 -3.081 0.408 1.00 0.00 H new ATOM 0 HD21 ASN A 103 69.712 -0.919 1.202 1.00 0.00 H new ATOM 0 HD22 ASN A 103 70.912 -0.119 2.223 1.00 0.00 H new ATOM 1657 N GLU A 104 71.686 -5.683 -1.207 1.00 0.00 N ATOM 1658 CA GLU A 104 71.108 -6.849 -1.867 1.00 0.00 C ATOM 1659 C GLU A 104 71.342 -8.105 -1.035 1.00 0.00 C ATOM 1660 O GLU A 104 70.753 -8.207 0.028 1.00 0.00 O ATOM 1661 CB GLU A 104 71.732 -7.029 -3.255 1.00 0.00 C ATOM 1662 CG GLU A 104 71.125 -6.015 -4.228 1.00 0.00 C ATOM 1663 CD GLU A 104 72.006 -5.887 -5.466 1.00 0.00 C ATOM 1664 OE1 GLU A 104 72.333 -6.911 -6.044 1.00 0.00 O1- ATOM 1665 OE2 GLU A 104 72.342 -4.769 -5.818 1.00 0.00 O ATOM 1666 OXT GLU A 104 72.107 -8.948 -1.475 1.00 0.00 O ATOM 0 H GLU A 104 72.401 -5.198 -1.749 1.00 0.00 H new ATOM 0 HA GLU A 104 70.035 -6.689 -1.970 1.00 0.00 H new ATOM 0 HB2 GLU A 104 72.812 -6.893 -3.199 1.00 0.00 H new ATOM 0 HB3 GLU A 104 71.557 -8.043 -3.615 1.00 0.00 H new ATOM 0 HG2 GLU A 104 70.122 -6.331 -4.516 1.00 0.00 H new ATOM 0 HG3 GLU A 104 71.026 -5.045 -3.740 1.00 0.00 H new