USER MOD reduce.3.24.130724 H: found=0, std=0, add=890, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 890 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 34 THR OG1 : rot -130:sc= 0 USER MOD Set 1.2: A 38 CYS SG : rot -170:sc= 1.05 USER MOD Set 1.3: A 41 CYS SG : rot 180:sc= -3.07! USER MOD Set 2.1: A 9 CYS SG : rot 56:sc= -5.16! USER MOD Set 2.2: A 14 THR OG1 : rot 116:sc= 0.775 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=-0.0021) USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 HIS : no HD1:sc= -0.444 K(o=-0.44,f=-1.1) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.213 X(o=-0.21,f=-0.014) USER MOD Single : A 27 LYS NZ :NH3+ 139:sc= 0.0284 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0.0276 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN :FLIP amide:sc= -0.0673 F(o=-0.65,f=-0.067) USER MOD Single : A 80 MET CE :methyl 152:sc= -0.299 (180deg=-1.72) USER MOD Single : A 82 THR OG1 : rot 43:sc= 0.323 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot -140:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 THR OG1 : rot 84:sc= 0.0803 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 HIS : no HE2:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 112 THR OG1 : rot 94:sc= 0.844 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -13.369 9.169 16.917 1.00 0.00 N ATOM 2 CA ALA A 1 -12.126 8.450 16.534 1.00 0.00 C ATOM 3 C ALA A 1 -12.299 7.965 15.040 1.00 0.00 C ATOM 4 O ALA A 1 -13.229 7.169 14.721 1.00 0.00 O ATOM 5 CB ALA A 1 -11.862 7.293 17.497 1.00 0.00 C ATOM 0 H1 ALA A 1 -13.288 9.503 17.899 1.00 0.00 H new ATOM 0 H2 ALA A 1 -13.508 9.983 16.285 1.00 0.00 H new ATOM 0 H3 ALA A 1 -14.182 8.525 16.836 1.00 0.00 H new ATOM 0 HA ALA A 1 -11.256 9.103 16.599 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -10.948 6.776 17.203 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -11.750 7.681 18.510 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -12.699 6.596 17.466 1.00 0.00 H new ATOM 12 N GLU A 2 -11.451 8.445 14.127 1.00 0.00 N ATOM 13 CA GLU A 2 -11.726 8.262 12.671 1.00 0.00 C ATOM 14 C GLU A 2 -10.257 8.335 12.022 1.00 0.00 C ATOM 15 O GLU A 2 -9.642 9.401 12.006 1.00 0.00 O ATOM 16 CB GLU A 2 -12.774 9.233 12.110 1.00 0.00 C ATOM 17 CG GLU A 2 -13.233 8.908 10.666 1.00 0.00 C ATOM 18 CD GLU A 2 -14.387 9.734 10.167 1.00 0.00 C ATOM 19 OE1 GLU A 2 -15.567 9.528 10.435 1.00 0.00 O ATOM 20 OE2 GLU A 2 -13.980 10.781 9.379 1.00 0.00 O ATOM 0 H GLU A 2 -10.591 8.949 14.343 1.00 0.00 H new ATOM 0 HA GLU A 2 -12.215 7.319 12.428 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -13.645 9.229 12.766 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -12.365 10.243 12.130 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -12.388 9.046 9.992 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -13.511 7.855 10.617 1.00 0.00 H new ATOM 28 N GLU A 3 -9.821 7.242 11.408 1.00 0.00 N ATOM 29 CA GLU A 3 -8.395 7.113 10.898 1.00 0.00 C ATOM 30 C GLU A 3 -8.261 5.966 9.825 1.00 0.00 C ATOM 31 O GLU A 3 -9.072 5.042 9.752 1.00 0.00 O ATOM 32 CB GLU A 3 -7.420 6.868 12.079 1.00 0.00 C ATOM 33 CG GLU A 3 -7.683 5.632 12.943 1.00 0.00 C ATOM 34 CD GLU A 3 -6.573 5.293 13.909 1.00 0.00 C ATOM 35 OE1 GLU A 3 -6.502 5.589 15.105 1.00 0.00 O ATOM 36 OE2 GLU A 3 -5.587 4.646 13.198 1.00 0.00 O ATOM 0 H GLU A 3 -10.401 6.421 11.236 1.00 0.00 H new ATOM 0 HA GLU A 3 -8.132 8.051 10.410 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -6.410 6.793 11.676 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -7.441 7.746 12.725 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -8.603 5.788 13.507 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -7.851 4.777 12.289 1.00 0.00 H new ATOM 44 N GLY A 4 -7.146 5.980 9.089 1.00 0.00 N ATOM 45 CA GLY A 4 -6.610 4.859 8.318 1.00 0.00 C ATOM 46 C GLY A 4 -6.082 3.667 9.191 1.00 0.00 C ATOM 47 O GLY A 4 -5.916 3.771 10.425 1.00 0.00 O ATOM 0 H GLY A 4 -6.566 6.815 9.012 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -7.388 4.488 7.650 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -5.797 5.222 7.690 1.00 0.00 H new ATOM 51 N GLN A 5 -5.725 2.497 8.569 1.00 0.00 N ATOM 52 CA GLN A 5 -5.429 1.244 9.295 1.00 0.00 C ATOM 53 C GLN A 5 -4.523 0.355 8.342 1.00 0.00 C ATOM 54 O GLN A 5 -4.785 0.258 7.116 1.00 0.00 O ATOM 55 CB GLN A 5 -6.673 0.449 9.747 1.00 0.00 C ATOM 56 CG GLN A 5 -7.606 -0.073 8.627 1.00 0.00 C ATOM 57 CD GLN A 5 -8.989 -0.617 9.088 1.00 0.00 C ATOM 58 OE1 GLN A 5 -9.702 -0.009 9.870 1.00 0.00 O ATOM 59 NE2 GLN A 5 -9.378 -1.757 8.608 1.00 0.00 N ATOM 0 H GLN A 5 -5.639 2.411 7.556 1.00 0.00 H new ATOM 0 HA GLN A 5 -4.923 1.508 10.224 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -6.337 -0.404 10.336 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -7.260 1.083 10.411 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -7.775 0.736 7.916 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -7.087 -0.867 8.090 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -8.782 -2.265 7.954 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -10.280 -2.146 8.884 1.00 0.00 H new ATOM 68 N VAL A 6 -3.501 -0.231 8.974 1.00 0.00 N ATOM 69 CA VAL A 6 -2.520 -1.179 8.485 1.00 0.00 C ATOM 70 C VAL A 6 -2.966 -2.623 8.769 1.00 0.00 C ATOM 71 O VAL A 6 -3.187 -3.004 9.937 1.00 0.00 O ATOM 72 CB VAL A 6 -1.141 -0.778 9.034 1.00 0.00 C ATOM 73 CG1 VAL A 6 -0.029 -1.721 8.520 1.00 0.00 C ATOM 74 CG2 VAL A 6 -0.735 0.674 8.745 1.00 0.00 C ATOM 0 H VAL A 6 -3.330 -0.020 9.957 1.00 0.00 H new ATOM 0 HA VAL A 6 -2.433 -1.149 7.399 1.00 0.00 H new ATOM 0 HB VAL A 6 -1.248 -0.870 10.115 1.00 0.00 H new ATOM 0 HG11 VAL A 6 0.932 -1.407 8.928 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -0.242 -2.742 8.837 1.00 0.00 H new ATOM 0 HG13 VAL A 6 0.009 -1.680 7.431 1.00 0.00 H new ATOM 0 HG21 VAL A 6 0.250 0.867 9.169 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -0.705 0.836 7.667 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -1.462 1.351 9.193 1.00 0.00 H new ATOM 84 N ILE A 7 -3.213 -3.342 7.700 1.00 0.00 N ATOM 85 CA ILE A 7 -3.789 -4.745 7.584 1.00 0.00 C ATOM 86 C ILE A 7 -2.673 -5.487 6.739 1.00 0.00 C ATOM 87 O ILE A 7 -2.518 -5.341 5.493 1.00 0.00 O ATOM 88 CB ILE A 7 -5.224 -4.778 7.027 1.00 0.00 C ATOM 89 CG1 ILE A 7 -5.976 -5.983 7.620 1.00 0.00 C ATOM 90 CG2 ILE A 7 -5.512 -4.792 5.495 1.00 0.00 C ATOM 91 CD1 ILE A 7 -5.446 -7.385 7.212 1.00 0.00 C ATOM 0 H ILE A 7 -3.011 -2.961 6.776 1.00 0.00 H new ATOM 0 HA ILE A 7 -3.964 -5.248 8.535 1.00 0.00 H new ATOM 0 HB ILE A 7 -5.557 -3.786 7.331 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -5.944 -5.907 8.707 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -7.023 -5.913 7.326 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -6.589 -4.815 5.327 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -5.093 -3.896 5.038 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -5.056 -5.675 5.047 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -6.052 -8.156 7.689 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -5.505 -7.495 6.129 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -4.409 -7.489 7.531 1.00 0.00 H new ATOM 103 N ALA A 8 -2.064 -6.460 7.358 1.00 0.00 N ATOM 104 CA ALA A 8 -1.255 -7.506 6.691 1.00 0.00 C ATOM 105 C ALA A 8 -2.066 -8.492 5.748 1.00 0.00 C ATOM 106 O ALA A 8 -3.179 -8.950 6.021 1.00 0.00 O ATOM 107 CB ALA A 8 -0.601 -8.253 7.829 1.00 0.00 C ATOM 0 H ALA A 8 -2.103 -6.572 8.371 1.00 0.00 H new ATOM 0 HA ALA A 8 -0.549 -7.043 6.001 1.00 0.00 H new ATOM 0 HB1 ALA A 8 0.022 -9.052 7.429 1.00 0.00 H new ATOM 0 HB2 ALA A 8 0.017 -7.566 8.408 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -1.370 -8.680 8.473 1.00 0.00 H new ATOM 113 N CYS A 9 -1.419 -8.760 4.674 1.00 0.00 N ATOM 114 CA CYS A 9 -1.854 -9.497 3.485 1.00 0.00 C ATOM 115 C CYS A 9 -0.972 -10.688 3.175 1.00 0.00 C ATOM 116 O CYS A 9 0.213 -10.675 3.377 1.00 0.00 O ATOM 117 CB CYS A 9 -2.007 -8.582 2.295 1.00 0.00 C ATOM 118 SG CYS A 9 -3.243 -7.235 2.686 1.00 0.00 S ATOM 0 H CYS A 9 -0.456 -8.442 4.568 1.00 0.00 H new ATOM 0 HA CYS A 9 -2.838 -9.905 3.715 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -1.044 -8.141 2.038 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -2.339 -9.152 1.427 1.00 0.00 H new ATOM 0 HG CYS A 9 -2.867 -6.598 3.755 1.00 0.00 H new ATOM 124 N HIS A 10 -1.609 -11.713 2.617 1.00 0.00 N ATOM 125 CA HIS A 10 -1.194 -13.105 2.702 1.00 0.00 C ATOM 126 C HIS A 10 -1.386 -13.946 1.396 1.00 0.00 C ATOM 127 O HIS A 10 -0.451 -14.498 0.792 1.00 0.00 O ATOM 128 CB HIS A 10 -1.748 -13.825 3.939 1.00 0.00 C ATOM 129 CG HIS A 10 -1.069 -13.501 5.262 1.00 0.00 C ATOM 130 ND1 HIS A 10 -1.504 -12.505 6.150 1.00 0.00 N ATOM 131 CD2 HIS A 10 -0.098 -14.346 5.891 1.00 0.00 C ATOM 132 CE1 HIS A 10 -0.556 -12.666 7.153 1.00 0.00 C ATOM 133 NE2 HIS A 10 0.245 -13.752 7.109 1.00 0.00 N ATOM 0 H HIS A 10 -2.462 -11.589 2.072 1.00 0.00 H new ATOM 0 HA HIS A 10 -0.113 -13.035 2.824 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -2.808 -13.586 4.029 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -1.677 -14.900 3.771 1.00 0.00 H new ATOM 0 HD2 HIS A 10 0.296 -15.271 5.497 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -0.462 -11.941 7.948 1.00 0.00 H new ATOM 0 HE2 HIS A 10 0.932 -14.063 7.796 1.00 0.00 H new ATOM 141 N THR A 11 -2.657 -14.127 0.991 1.00 0.00 N ATOM 142 CA THR A 11 -3.177 -15.091 0.009 1.00 0.00 C ATOM 143 C THR A 11 -4.261 -14.384 -0.906 1.00 0.00 C ATOM 144 O THR A 11 -4.504 -13.193 -0.808 1.00 0.00 O ATOM 145 CB THR A 11 -3.703 -16.343 0.796 1.00 0.00 C ATOM 146 OG1 THR A 11 -4.877 -16.047 1.622 1.00 0.00 O ATOM 147 CG2 THR A 11 -2.686 -17.107 1.551 1.00 0.00 C ATOM 0 H THR A 11 -3.408 -13.554 1.376 1.00 0.00 H new ATOM 0 HA THR A 11 -2.406 -15.443 -0.676 1.00 0.00 H new ATOM 0 HB THR A 11 -4.012 -17.017 -0.003 1.00 0.00 H new ATOM 0 HG1 THR A 11 -5.163 -16.861 2.088 1.00 0.00 H new ATOM 0 HG21 THR A 11 -3.162 -17.948 2.055 1.00 0.00 H new ATOM 0 HG22 THR A 11 -1.926 -17.479 0.864 1.00 0.00 H new ATOM 0 HG23 THR A 11 -2.219 -16.458 2.292 1.00 0.00 H new ATOM 155 N VAL A 12 -4.993 -15.146 -1.717 1.00 0.00 N ATOM 156 CA VAL A 12 -6.189 -14.676 -2.519 1.00 0.00 C ATOM 157 C VAL A 12 -7.319 -13.752 -1.858 1.00 0.00 C ATOM 158 O VAL A 12 -8.104 -12.980 -2.422 1.00 0.00 O ATOM 159 CB VAL A 12 -6.737 -15.936 -3.217 1.00 0.00 C ATOM 160 CG1 VAL A 12 -7.426 -16.928 -2.305 1.00 0.00 C ATOM 161 CG2 VAL A 12 -7.604 -15.557 -4.417 1.00 0.00 C ATOM 0 H VAL A 12 -4.790 -16.136 -1.858 1.00 0.00 H new ATOM 0 HA VAL A 12 -5.813 -13.911 -3.198 1.00 0.00 H new ATOM 0 HB VAL A 12 -5.859 -16.476 -3.573 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -7.776 -17.778 -2.890 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -6.724 -17.274 -1.547 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -8.276 -16.447 -1.820 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -7.980 -16.462 -4.894 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -8.443 -14.948 -4.082 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -7.008 -14.990 -5.132 1.00 0.00 H new ATOM 171 N ASP A 13 -7.369 -13.821 -0.545 1.00 0.00 N ATOM 172 CA ASP A 13 -8.196 -12.979 0.377 1.00 0.00 C ATOM 173 C ASP A 13 -7.791 -11.488 0.356 1.00 0.00 C ATOM 174 O ASP A 13 -8.687 -10.604 0.401 1.00 0.00 O ATOM 175 CB ASP A 13 -8.068 -13.518 1.823 1.00 0.00 C ATOM 176 CG ASP A 13 -8.885 -14.797 2.113 1.00 0.00 C ATOM 177 OD1 ASP A 13 -10.054 -14.730 2.556 1.00 0.00 O ATOM 178 OD2 ASP A 13 -8.153 -15.909 2.022 1.00 0.00 O ATOM 0 H ASP A 13 -6.808 -14.501 -0.033 1.00 0.00 H new ATOM 0 HA ASP A 13 -9.226 -13.042 0.027 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -7.017 -13.721 2.028 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -8.383 -12.738 2.516 1.00 0.00 H new ATOM 184 N THR A 14 -6.479 -11.144 0.319 1.00 0.00 N ATOM 185 CA THR A 14 -6.058 -9.835 -0.210 1.00 0.00 C ATOM 186 C THR A 14 -6.591 -9.356 -1.647 1.00 0.00 C ATOM 187 O THR A 14 -6.778 -8.151 -1.908 1.00 0.00 O ATOM 188 CB THR A 14 -4.533 -9.535 -0.142 1.00 0.00 C ATOM 189 OG1 THR A 14 -4.341 -8.145 -0.178 1.00 0.00 O ATOM 190 CG2 THR A 14 -3.623 -10.013 -1.292 1.00 0.00 C ATOM 0 H THR A 14 -5.717 -11.741 0.641 1.00 0.00 H new ATOM 0 HA THR A 14 -6.600 -9.241 0.526 1.00 0.00 H new ATOM 0 HB THR A 14 -4.252 -10.076 0.762 1.00 0.00 H new ATOM 0 HG1 THR A 14 -3.945 -7.847 0.668 1.00 0.00 H new ATOM 0 HG21 THR A 14 -2.593 -9.722 -1.086 1.00 0.00 H new ATOM 0 HG22 THR A 14 -3.683 -11.098 -1.377 1.00 0.00 H new ATOM 0 HG23 THR A 14 -3.949 -9.557 -2.227 1.00 0.00 H new ATOM 198 N TRP A 15 -6.779 -10.304 -2.633 1.00 0.00 N ATOM 199 CA TRP A 15 -7.505 -10.031 -3.972 1.00 0.00 C ATOM 200 C TRP A 15 -8.944 -9.465 -3.799 1.00 0.00 C ATOM 201 O TRP A 15 -9.177 -8.400 -4.324 1.00 0.00 O ATOM 202 CB TRP A 15 -7.455 -11.205 -5.006 1.00 0.00 C ATOM 203 CG TRP A 15 -6.238 -11.218 -5.923 1.00 0.00 C ATOM 204 CD1 TRP A 15 -5.009 -11.861 -5.696 1.00 0.00 C ATOM 205 CD2 TRP A 15 -6.308 -10.827 -7.241 1.00 0.00 C ATOM 206 NE1 TRP A 15 -4.250 -11.770 -6.909 1.00 0.00 N ATOM 207 CE2 TRP A 15 -5.073 -11.196 -7.827 1.00 0.00 C ATOM 208 CE3 TRP A 15 -7.294 -10.196 -8.093 1.00 0.00 C ATOM 209 CZ2 TRP A 15 -4.811 -10.968 -9.193 1.00 0.00 C ATOM 210 CZ3 TRP A 15 -6.979 -9.878 -9.399 1.00 0.00 C ATOM 211 CH2 TRP A 15 -5.799 -10.316 -9.942 1.00 0.00 C ATOM 0 H TRP A 15 -6.447 -11.264 -2.544 1.00 0.00 H new ATOM 0 HA TRP A 15 -6.907 -9.236 -4.418 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -7.488 -12.148 -4.461 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -8.353 -11.162 -5.623 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -4.695 -12.336 -4.778 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -3.287 -12.074 -7.054 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -8.278 -9.974 -7.706 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -3.883 -11.284 -9.646 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -7.661 -9.286 -9.991 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -5.623 -10.151 -10.995 1.00 0.00 H new ATOM 222 N LYS A 16 -9.802 -10.163 -2.964 1.00 0.00 N ATOM 223 CA LYS A 16 -11.026 -9.572 -2.394 1.00 0.00 C ATOM 224 C LYS A 16 -10.880 -8.148 -1.671 1.00 0.00 C ATOM 225 O LYS A 16 -11.536 -7.184 -2.065 1.00 0.00 O ATOM 226 CB LYS A 16 -11.855 -10.527 -1.463 1.00 0.00 C ATOM 227 CG LYS A 16 -12.218 -11.878 -2.093 1.00 0.00 C ATOM 228 CD LYS A 16 -13.221 -12.745 -1.224 1.00 0.00 C ATOM 229 CE LYS A 16 -12.704 -13.302 0.138 1.00 0.00 C ATOM 230 NZ LYS A 16 -13.728 -14.107 0.899 1.00 0.00 N ATOM 0 H LYS A 16 -9.646 -11.132 -2.687 1.00 0.00 H new ATOM 0 HA LYS A 16 -11.579 -9.402 -3.318 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -11.286 -10.708 -0.551 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -12.774 -10.019 -1.170 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -12.661 -11.703 -3.074 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -11.304 -12.450 -2.253 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -14.104 -12.137 -1.025 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -13.546 -13.590 -1.831 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -11.829 -13.926 -0.045 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -12.377 -12.468 0.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -13.312 -14.443 1.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -14.555 -13.511 1.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -14.024 -14.923 0.326 1.00 0.00 H new ATOM 243 N GLU A 17 -9.983 -8.040 -0.670 1.00 0.00 N ATOM 244 CA GLU A 17 -9.653 -6.771 -0.043 1.00 0.00 C ATOM 245 C GLU A 17 -9.185 -5.532 -0.895 1.00 0.00 C ATOM 246 O GLU A 17 -9.883 -4.514 -0.924 1.00 0.00 O ATOM 247 CB GLU A 17 -8.881 -6.926 1.235 1.00 0.00 C ATOM 248 CG GLU A 17 -9.589 -7.698 2.353 1.00 0.00 C ATOM 249 CD GLU A 17 -8.856 -7.504 3.685 1.00 0.00 C ATOM 250 OE1 GLU A 17 -8.012 -8.277 4.128 1.00 0.00 O ATOM 251 OE2 GLU A 17 -9.292 -6.452 4.412 1.00 0.00 O ATOM 0 H GLU A 17 -9.475 -8.836 -0.284 1.00 0.00 H new ATOM 0 HA GLU A 17 -10.670 -6.441 0.168 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -7.941 -7.430 1.010 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -8.629 -5.933 1.608 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -10.619 -7.354 2.444 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -9.628 -8.758 2.103 1.00 0.00 H new ATOM 259 N HIS A 18 -8.009 -5.676 -1.547 1.00 0.00 N ATOM 260 CA HIS A 18 -7.422 -4.657 -2.490 1.00 0.00 C ATOM 261 C HIS A 18 -8.460 -4.146 -3.585 1.00 0.00 C ATOM 262 O HIS A 18 -8.908 -2.978 -3.550 1.00 0.00 O ATOM 263 CB HIS A 18 -6.064 -5.208 -3.114 1.00 0.00 C ATOM 264 CG HIS A 18 -5.383 -4.310 -4.172 1.00 0.00 C ATOM 265 ND1 HIS A 18 -5.315 -4.638 -5.481 1.00 0.00 N ATOM 266 CD2 HIS A 18 -4.644 -3.165 -3.889 1.00 0.00 C ATOM 267 CE1 HIS A 18 -4.523 -3.613 -5.955 1.00 0.00 C ATOM 268 NE2 HIS A 18 -4.070 -2.650 -5.091 1.00 0.00 N ATOM 0 H HIS A 18 -7.424 -6.505 -1.442 1.00 0.00 H new ATOM 0 HA HIS A 18 -7.182 -3.764 -1.913 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -5.357 -5.376 -2.301 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -6.265 -6.179 -3.567 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -4.523 -2.731 -2.907 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -4.261 -3.569 -7.002 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -3.499 -1.821 -5.256 1.00 0.00 H new ATOM 276 N PHE A 19 -8.996 -5.076 -4.391 1.00 0.00 N ATOM 277 CA PHE A 19 -10.020 -4.864 -5.451 1.00 0.00 C ATOM 278 C PHE A 19 -11.388 -4.230 -4.963 1.00 0.00 C ATOM 279 O PHE A 19 -11.743 -3.162 -5.427 1.00 0.00 O ATOM 280 CB PHE A 19 -10.321 -6.122 -6.372 1.00 0.00 C ATOM 281 CG PHE A 19 -11.312 -5.870 -7.552 1.00 0.00 C ATOM 282 CD1 PHE A 19 -10.842 -5.311 -8.763 1.00 0.00 C ATOM 283 CD2 PHE A 19 -12.658 -6.166 -7.384 1.00 0.00 C ATOM 284 CE1 PHE A 19 -11.709 -5.271 -9.836 1.00 0.00 C ATOM 285 CE2 PHE A 19 -13.555 -5.962 -8.462 1.00 0.00 C ATOM 286 CZ PHE A 19 -13.050 -5.478 -9.661 1.00 0.00 C ATOM 0 H PHE A 19 -8.717 -6.055 -4.325 1.00 0.00 H new ATOM 0 HA PHE A 19 -9.512 -4.119 -6.064 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -9.378 -6.483 -6.783 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -10.723 -6.920 -5.747 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -9.836 -4.927 -8.846 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -13.018 -6.548 -6.440 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -11.324 -5.074 -10.826 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -14.608 -6.178 -8.353 1.00 0.00 H new ATOM 0 HZ PHE A 19 -13.729 -5.260 -10.472 1.00 0.00 H new ATOM 296 N GLU A 20 -12.127 -4.881 -4.014 1.00 0.00 N ATOM 297 CA GLU A 20 -13.403 -4.407 -3.392 1.00 0.00 C ATOM 298 C GLU A 20 -13.376 -2.966 -2.810 1.00 0.00 C ATOM 299 O GLU A 20 -14.194 -2.117 -3.124 1.00 0.00 O ATOM 300 CB GLU A 20 -14.085 -5.490 -2.511 1.00 0.00 C ATOM 301 CG GLU A 20 -14.581 -6.781 -3.186 1.00 0.00 C ATOM 302 CD GLU A 20 -15.572 -6.654 -4.373 1.00 0.00 C ATOM 303 OE1 GLU A 20 -15.282 -7.083 -5.492 1.00 0.00 O ATOM 304 OE2 GLU A 20 -16.814 -6.075 -4.027 1.00 0.00 O ATOM 0 H GLU A 20 -11.837 -5.788 -3.647 1.00 0.00 H new ATOM 0 HA GLU A 20 -14.088 -4.269 -4.228 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -13.380 -5.774 -1.730 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -14.938 -5.026 -2.016 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -13.707 -7.329 -3.539 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -15.055 -7.396 -2.421 1.00 0.00 H new ATOM 312 N LYS A 21 -12.488 -2.721 -1.823 1.00 0.00 N ATOM 313 CA LYS A 21 -12.159 -1.367 -1.314 1.00 0.00 C ATOM 314 C LYS A 21 -11.692 -0.271 -2.306 1.00 0.00 C ATOM 315 O LYS A 21 -12.344 0.748 -2.409 1.00 0.00 O ATOM 316 CB LYS A 21 -11.163 -1.414 -0.098 1.00 0.00 C ATOM 317 CG LYS A 21 -11.542 -2.403 1.059 1.00 0.00 C ATOM 318 CD LYS A 21 -12.765 -2.094 1.918 1.00 0.00 C ATOM 319 CE LYS A 21 -13.102 -2.961 3.124 1.00 0.00 C ATOM 320 NZ LYS A 21 -12.131 -2.793 4.171 1.00 0.00 N ATOM 0 H LYS A 21 -11.973 -3.464 -1.351 1.00 0.00 H new ATOM 0 HA LYS A 21 -13.156 -1.037 -1.021 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -10.176 -1.684 -0.472 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -11.082 -0.410 0.320 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -11.690 -3.388 0.616 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -10.682 -2.478 1.724 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -12.655 -1.071 2.278 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -13.633 -2.108 1.259 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -14.092 -2.701 3.497 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -13.140 -4.008 2.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -12.385 -3.395 4.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -11.191 -3.064 3.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -12.114 -1.798 4.472 1.00 0.00 H new ATOM 333 N GLY A 22 -10.656 -0.582 -3.125 1.00 0.00 N ATOM 334 CA GLY A 22 -10.194 0.281 -4.246 1.00 0.00 C ATOM 335 C GLY A 22 -11.203 0.799 -5.313 1.00 0.00 C ATOM 336 O GLY A 22 -11.728 1.877 -5.109 1.00 0.00 O ATOM 0 H GLY A 22 -10.115 -1.441 -3.028 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -9.717 1.155 -3.803 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -9.418 -0.270 -4.778 1.00 0.00 H new ATOM 340 N LYS A 23 -11.488 -0.093 -6.252 1.00 0.00 N ATOM 341 CA LYS A 23 -12.726 -0.138 -7.021 1.00 0.00 C ATOM 342 C LYS A 23 -13.833 -0.833 -6.323 1.00 0.00 C ATOM 343 O LYS A 23 -14.149 -2.010 -6.464 1.00 0.00 O ATOM 344 CB LYS A 23 -12.373 -0.824 -8.335 1.00 0.00 C ATOM 345 CG LYS A 23 -13.451 -0.523 -9.426 1.00 0.00 C ATOM 346 CD LYS A 23 -13.817 -1.708 -10.366 1.00 0.00 C ATOM 347 CE LYS A 23 -13.039 -1.838 -11.664 1.00 0.00 C ATOM 348 NZ LYS A 23 -13.280 -0.869 -12.769 1.00 0.00 N ATOM 0 H LYS A 23 -10.837 -0.835 -6.510 1.00 0.00 H new ATOM 0 HA LYS A 23 -13.105 0.872 -7.176 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -11.397 -0.482 -8.678 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -12.297 -1.900 -8.180 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -14.360 -0.186 -8.928 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -13.098 0.306 -10.039 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -13.692 -2.634 -9.805 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -14.875 -1.626 -10.615 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -11.979 -1.790 -11.414 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -13.229 -2.836 -12.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -12.668 -1.104 -13.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -14.276 -0.919 -13.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -13.065 0.094 -12.440 1.00 0.00 H new ATOM 361 N GLY A 24 -14.612 -0.045 -5.590 1.00 0.00 N ATOM 362 CA GLY A 24 -15.874 -0.425 -4.973 1.00 0.00 C ATOM 363 C GLY A 24 -16.449 0.645 -4.017 1.00 0.00 C ATOM 364 O GLY A 24 -17.631 0.910 -4.095 1.00 0.00 O ATOM 0 H GLY A 24 -14.366 0.927 -5.401 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -16.604 -0.628 -5.757 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -15.732 -1.354 -4.420 1.00 0.00 H new ATOM 368 N SER A 25 -15.526 1.216 -3.199 1.00 0.00 N ATOM 369 CA SER A 25 -15.738 2.183 -2.149 1.00 0.00 C ATOM 370 C SER A 25 -14.949 3.446 -2.613 1.00 0.00 C ATOM 371 O SER A 25 -13.758 3.335 -3.028 1.00 0.00 O ATOM 372 CB SER A 25 -15.296 1.691 -0.784 1.00 0.00 C ATOM 373 OG SER A 25 -16.000 0.523 -0.376 1.00 0.00 O ATOM 0 H SER A 25 -14.539 0.975 -3.285 1.00 0.00 H new ATOM 0 HA SER A 25 -16.799 2.391 -2.008 1.00 0.00 H new ATOM 0 HB2 SER A 25 -14.227 1.479 -0.805 1.00 0.00 H new ATOM 0 HB3 SER A 25 -15.450 2.481 -0.048 1.00 0.00 H new ATOM 0 HG SER A 25 -15.682 0.241 0.507 1.00 0.00 H new ATOM 379 N GLN A 26 -15.603 4.609 -2.435 1.00 0.00 N ATOM 380 CA GLN A 26 -15.010 6.031 -2.503 1.00 0.00 C ATOM 381 C GLN A 26 -14.045 6.225 -1.347 1.00 0.00 C ATOM 382 O GLN A 26 -14.357 6.688 -0.242 1.00 0.00 O ATOM 383 CB GLN A 26 -16.216 7.060 -2.589 1.00 0.00 C ATOM 384 CG GLN A 26 -16.800 7.195 -4.010 1.00 0.00 C ATOM 385 CD GLN A 26 -17.363 5.964 -4.759 1.00 0.00 C ATOM 386 OE1 GLN A 26 -18.523 5.586 -4.690 1.00 0.00 O ATOM 387 NE2 GLN A 26 -16.449 5.286 -5.504 1.00 0.00 N ATOM 0 H GLN A 26 -16.602 4.625 -2.229 1.00 0.00 H new ATOM 0 HA GLN A 26 -14.407 6.204 -3.394 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -17.005 6.742 -1.908 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -15.876 8.038 -2.249 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -17.602 7.931 -3.957 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -16.017 7.621 -4.638 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -15.485 5.615 -5.551 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -16.728 4.449 -6.016 1.00 0.00 H new ATOM 396 N LYS A 27 -12.790 5.823 -1.606 1.00 0.00 N ATOM 397 CA LYS A 27 -11.646 5.938 -0.725 1.00 0.00 C ATOM 398 C LYS A 27 -10.410 5.758 -1.702 1.00 0.00 C ATOM 399 O LYS A 27 -10.489 5.072 -2.812 1.00 0.00 O ATOM 400 CB LYS A 27 -11.636 4.893 0.468 1.00 0.00 C ATOM 401 CG LYS A 27 -11.883 3.415 0.080 1.00 0.00 C ATOM 402 CD LYS A 27 -11.759 2.594 1.396 1.00 0.00 C ATOM 403 CE LYS A 27 -12.754 2.846 2.610 1.00 0.00 C ATOM 404 NZ LYS A 27 -12.432 2.184 3.801 1.00 0.00 N ATOM 0 H LYS A 27 -12.546 5.384 -2.494 1.00 0.00 H new ATOM 0 HA LYS A 27 -11.641 6.891 -0.197 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -10.673 4.959 0.974 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -12.396 5.190 1.191 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -12.870 3.289 -0.366 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -11.155 3.079 -0.658 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -11.844 1.541 1.126 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -10.748 2.746 1.774 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -12.793 3.917 2.809 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -13.755 2.542 2.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -12.593 2.821 4.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -13.031 1.340 3.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -11.432 1.898 3.780 1.00 0.00 H new ATOM 417 N LEU A 28 -9.311 6.305 -1.135 1.00 0.00 N ATOM 418 CA LEU A 28 -7.920 5.943 -1.468 1.00 0.00 C ATOM 419 C LEU A 28 -7.482 4.757 -0.598 1.00 0.00 C ATOM 420 O LEU A 28 -8.077 4.475 0.448 1.00 0.00 O ATOM 421 CB LEU A 28 -6.983 7.188 -1.362 1.00 0.00 C ATOM 422 CG LEU A 28 -5.497 7.096 -1.882 1.00 0.00 C ATOM 423 CD1 LEU A 28 -5.323 6.879 -3.462 1.00 0.00 C ATOM 424 CD2 LEU A 28 -4.610 8.252 -1.402 1.00 0.00 C ATOM 0 H LEU A 28 -9.371 7.027 -0.417 1.00 0.00 H new ATOM 0 HA LEU A 28 -7.851 5.618 -2.506 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -7.465 8.005 -1.899 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.943 7.476 -0.312 1.00 0.00 H new ATOM 0 HG LEU A 28 -5.149 6.174 -1.416 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.262 6.830 -3.708 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -5.807 5.948 -3.757 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.781 7.711 -3.996 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.602 8.125 -1.797 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -5.022 9.197 -1.755 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -4.575 8.256 -0.313 1.00 0.00 H new ATOM 436 N ILE A 29 -6.647 3.936 -1.155 1.00 0.00 N ATOM 437 CA ILE A 29 -6.006 2.680 -0.673 1.00 0.00 C ATOM 438 C ILE A 29 -4.523 2.682 -1.216 1.00 0.00 C ATOM 439 O ILE A 29 -4.200 3.052 -2.332 1.00 0.00 O ATOM 440 CB ILE A 29 -6.731 1.414 -1.172 1.00 0.00 C ATOM 441 CG1 ILE A 29 -6.573 0.825 -2.566 1.00 0.00 C ATOM 442 CG2 ILE A 29 -8.233 1.457 -0.777 1.00 0.00 C ATOM 443 CD1 ILE A 29 -6.996 -0.625 -2.771 1.00 0.00 C ATOM 0 H ILE A 29 -6.331 4.134 -2.105 1.00 0.00 H new ATOM 0 HA ILE A 29 -6.049 2.655 0.416 1.00 0.00 H new ATOM 0 HB ILE A 29 -6.114 0.689 -0.641 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -7.144 1.443 -3.259 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -5.525 0.913 -2.851 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -8.730 0.556 -1.137 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -8.322 1.512 0.308 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -8.702 2.333 -1.225 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -6.828 -0.910 -3.810 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -6.409 -1.271 -2.118 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -8.054 -0.733 -2.532 1.00 0.00 H new ATOM 455 N VAL A 30 -3.627 2.255 -0.314 1.00 0.00 N ATOM 456 CA VAL A 30 -2.149 2.392 -0.475 1.00 0.00 C ATOM 457 C VAL A 30 -1.442 1.097 0.115 1.00 0.00 C ATOM 458 O VAL A 30 -1.539 0.756 1.274 1.00 0.00 O ATOM 459 CB VAL A 30 -1.500 3.748 0.012 1.00 0.00 C ATOM 460 CG1 VAL A 30 0.024 3.827 -0.154 1.00 0.00 C ATOM 461 CG2 VAL A 30 -2.241 5.047 -0.402 1.00 0.00 C ATOM 0 H VAL A 30 -3.897 1.800 0.558 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.966 2.458 -1.547 1.00 0.00 H new ATOM 0 HB VAL A 30 -1.665 3.700 1.088 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.380 4.792 0.207 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.494 3.029 0.421 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.282 3.716 -1.207 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.704 5.912 -0.012 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -2.287 5.109 -1.489 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -3.252 5.034 0.004 1.00 0.00 H new ATOM 471 N VAL A 31 -0.593 0.522 -0.749 1.00 0.00 N ATOM 472 CA VAL A 31 -0.192 -0.871 -0.671 1.00 0.00 C ATOM 473 C VAL A 31 1.302 -1.255 -1.082 1.00 0.00 C ATOM 474 O VAL A 31 1.647 -1.341 -2.226 1.00 0.00 O ATOM 475 CB VAL A 31 -1.290 -1.718 -1.412 1.00 0.00 C ATOM 476 CG1 VAL A 31 -1.552 -1.281 -2.891 1.00 0.00 C ATOM 477 CG2 VAL A 31 -1.094 -3.305 -1.360 1.00 0.00 C ATOM 0 H VAL A 31 -0.166 1.026 -1.527 1.00 0.00 H new ATOM 0 HA VAL A 31 -0.140 -1.116 0.390 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.172 -1.483 -0.816 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -2.323 -1.917 -3.327 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.884 -0.243 -2.910 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.632 -1.378 -3.468 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.906 -3.790 -1.902 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -0.142 -3.569 -1.821 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.100 -3.639 -0.322 1.00 0.00 H new ATOM 487 N ASP A 32 2.063 -1.540 0.032 1.00 0.00 N ATOM 488 CA ASP A 32 3.378 -2.145 0.045 1.00 0.00 C ATOM 489 C ASP A 32 3.488 -3.635 -0.383 1.00 0.00 C ATOM 490 O ASP A 32 2.816 -4.537 0.150 1.00 0.00 O ATOM 491 CB ASP A 32 3.921 -2.106 1.489 1.00 0.00 C ATOM 492 CG ASP A 32 5.440 -1.982 1.749 1.00 0.00 C ATOM 493 OD1 ASP A 32 5.929 -2.034 2.898 1.00 0.00 O ATOM 494 OD2 ASP A 32 6.131 -1.723 0.555 1.00 0.00 O ATOM 0 H ASP A 32 1.728 -1.330 0.972 1.00 0.00 H new ATOM 0 HA ASP A 32 3.928 -1.561 -0.693 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.438 -1.269 1.993 1.00 0.00 H new ATOM 0 HB3 ASP A 32 3.582 -3.015 1.986 1.00 0.00 H new ATOM 500 N PHE A 33 4.389 -3.814 -1.373 1.00 0.00 N ATOM 501 CA PHE A 33 4.922 -5.108 -1.939 1.00 0.00 C ATOM 502 C PHE A 33 6.338 -5.127 -1.413 1.00 0.00 C ATOM 503 O PHE A 33 7.273 -4.342 -1.701 1.00 0.00 O ATOM 504 CB PHE A 33 4.706 -5.220 -3.503 1.00 0.00 C ATOM 505 CG PHE A 33 3.227 -5.103 -3.982 1.00 0.00 C ATOM 506 CD1 PHE A 33 2.644 -3.885 -4.248 1.00 0.00 C ATOM 507 CD2 PHE A 33 2.473 -6.238 -4.097 1.00 0.00 C ATOM 508 CE1 PHE A 33 1.315 -3.797 -4.529 1.00 0.00 C ATOM 509 CE2 PHE A 33 1.059 -6.189 -4.475 1.00 0.00 C ATOM 510 CZ PHE A 33 0.486 -4.951 -4.603 1.00 0.00 C ATOM 0 H PHE A 33 4.804 -3.010 -1.843 1.00 0.00 H new ATOM 0 HA PHE A 33 4.399 -6.013 -1.629 1.00 0.00 H new ATOM 0 HB2 PHE A 33 5.291 -4.440 -3.991 1.00 0.00 H new ATOM 0 HB3 PHE A 33 5.105 -6.176 -3.841 1.00 0.00 H new ATOM 0 HD1 PHE A 33 3.247 -2.989 -4.234 1.00 0.00 H new ATOM 0 HD2 PHE A 33 2.933 -7.196 -3.904 1.00 0.00 H new ATOM 0 HE1 PHE A 33 0.878 -2.824 -4.700 1.00 0.00 H new ATOM 0 HE2 PHE A 33 0.491 -7.092 -4.646 1.00 0.00 H new ATOM 0 HZ PHE A 33 -0.578 -4.853 -4.758 1.00 0.00 H new ATOM 520 N THR A 34 6.466 -6.051 -0.363 1.00 0.00 N ATOM 521 CA THR A 34 7.697 -6.156 0.554 1.00 0.00 C ATOM 522 C THR A 34 7.718 -7.594 0.955 1.00 0.00 C ATOM 523 O THR A 34 6.801 -8.265 1.537 1.00 0.00 O ATOM 524 CB THR A 34 7.766 -5.164 1.753 1.00 0.00 C ATOM 525 OG1 THR A 34 9.061 -5.298 2.339 1.00 0.00 O ATOM 526 CG2 THR A 34 6.754 -5.483 2.841 1.00 0.00 C ATOM 0 H THR A 34 5.737 -6.727 -0.134 1.00 0.00 H new ATOM 0 HA THR A 34 8.594 -5.844 0.019 1.00 0.00 H new ATOM 0 HB THR A 34 7.557 -4.164 1.374 1.00 0.00 H new ATOM 0 HG1 THR A 34 8.971 -5.418 3.307 1.00 0.00 H new ATOM 0 HG21 THR A 34 6.849 -4.759 3.650 1.00 0.00 H new ATOM 0 HG22 THR A 34 5.747 -5.434 2.427 1.00 0.00 H new ATOM 0 HG23 THR A 34 6.939 -6.485 3.228 1.00 0.00 H new ATOM 534 N ALA A 35 8.930 -8.065 0.879 1.00 0.00 N ATOM 535 CA ALA A 35 9.495 -9.265 1.522 1.00 0.00 C ATOM 536 C ALA A 35 9.861 -9.018 2.970 1.00 0.00 C ATOM 537 O ALA A 35 10.456 -7.960 3.296 1.00 0.00 O ATOM 538 CB ALA A 35 10.612 -9.569 0.608 1.00 0.00 C ATOM 0 H ALA A 35 9.633 -7.587 0.315 1.00 0.00 H new ATOM 0 HA ALA A 35 8.818 -10.112 1.631 1.00 0.00 H new ATOM 0 HB1 ALA A 35 11.140 -10.455 0.961 1.00 0.00 H new ATOM 0 HB2 ALA A 35 10.223 -9.753 -0.393 1.00 0.00 H new ATOM 0 HB3 ALA A 35 11.300 -8.724 0.580 1.00 0.00 H new ATOM 544 N SER A 36 9.766 -10.066 3.728 1.00 0.00 N ATOM 545 CA SER A 36 10.360 -10.139 5.091 1.00 0.00 C ATOM 546 C SER A 36 11.929 -9.928 5.231 1.00 0.00 C ATOM 547 O SER A 36 12.424 -9.283 6.125 1.00 0.00 O ATOM 548 CB SER A 36 9.952 -11.471 5.728 1.00 0.00 C ATOM 549 OG SER A 36 10.107 -11.353 7.149 1.00 0.00 O ATOM 0 H SER A 36 9.278 -10.916 3.447 1.00 0.00 H new ATOM 0 HA SER A 36 9.954 -9.271 5.611 1.00 0.00 H new ATOM 0 HB2 SER A 36 8.919 -11.712 5.477 1.00 0.00 H new ATOM 0 HB3 SER A 36 10.571 -12.282 5.344 1.00 0.00 H new ATOM 0 HG SER A 36 9.849 -12.196 7.577 1.00 0.00 H new ATOM 555 N TRP A 37 12.726 -10.430 4.258 1.00 0.00 N ATOM 556 CA TRP A 37 14.215 -10.009 4.003 1.00 0.00 C ATOM 557 C TRP A 37 14.441 -8.446 3.693 1.00 0.00 C ATOM 558 O TRP A 37 14.851 -8.124 2.599 1.00 0.00 O ATOM 559 CB TRP A 37 14.835 -10.992 3.028 1.00 0.00 C ATOM 560 CG TRP A 37 14.235 -11.386 1.700 1.00 0.00 C ATOM 561 CD1 TRP A 37 13.224 -12.384 1.564 1.00 0.00 C ATOM 562 CD2 TRP A 37 14.464 -10.953 0.452 1.00 0.00 C ATOM 563 NE1 TRP A 37 12.778 -12.566 0.285 1.00 0.00 N ATOM 564 CE2 TRP A 37 13.441 -11.511 -0.391 1.00 0.00 C ATOM 565 CE3 TRP A 37 15.327 -9.980 -0.049 1.00 0.00 C ATOM 566 CZ2 TRP A 37 13.357 -11.140 -1.811 1.00 0.00 C ATOM 567 CZ3 TRP A 37 15.275 -9.681 -1.389 1.00 0.00 C ATOM 568 CH2 TRP A 37 14.329 -10.227 -2.267 1.00 0.00 C ATOM 0 H TRP A 37 12.400 -11.140 3.603 1.00 0.00 H new ATOM 0 HA TRP A 37 14.771 -10.085 4.937 1.00 0.00 H new ATOM 0 HB2 TRP A 37 15.830 -10.606 2.805 1.00 0.00 H new ATOM 0 HB3 TRP A 37 14.970 -11.920 3.583 1.00 0.00 H new ATOM 0 HD1 TRP A 37 12.843 -12.949 2.402 1.00 0.00 H new ATOM 0 HE1 TRP A 37 12.140 -13.271 -0.084 1.00 0.00 H new ATOM 0 HE3 TRP A 37 16.022 -9.472 0.603 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 12.597 -11.542 -2.465 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 16.002 -8.988 -1.787 1.00 0.00 H new ATOM 0 HH2 TRP A 37 14.345 -9.944 -3.309 1.00 0.00 H new ATOM 579 N CYS A 38 14.117 -7.552 4.612 1.00 0.00 N ATOM 580 CA CYS A 38 14.122 -6.077 4.331 1.00 0.00 C ATOM 581 C CYS A 38 14.187 -5.331 5.751 1.00 0.00 C ATOM 582 O CYS A 38 13.125 -4.983 6.205 1.00 0.00 O ATOM 583 CB CYS A 38 12.933 -5.670 3.466 1.00 0.00 C ATOM 584 SG CYS A 38 13.028 -3.864 3.075 1.00 0.00 S ATOM 0 H CYS A 38 13.844 -7.794 5.565 1.00 0.00 H new ATOM 0 HA CYS A 38 14.990 -5.784 3.741 1.00 0.00 H new ATOM 0 HB2 CYS A 38 12.927 -6.251 2.544 1.00 0.00 H new ATOM 0 HB3 CYS A 38 12.001 -5.890 3.987 1.00 0.00 H new ATOM 0 HG CYS A 38 11.916 -3.481 2.522 1.00 0.00 H new ATOM 590 N PRO A 39 15.362 -4.886 6.412 1.00 0.00 N ATOM 591 CA PRO A 39 15.415 -3.794 7.411 1.00 0.00 C ATOM 592 C PRO A 39 14.814 -2.289 7.163 1.00 0.00 C ATOM 593 O PRO A 39 14.235 -1.755 8.052 1.00 0.00 O ATOM 594 CB PRO A 39 16.918 -3.740 7.795 1.00 0.00 C ATOM 595 CG PRO A 39 17.613 -4.876 7.097 1.00 0.00 C ATOM 596 CD PRO A 39 16.676 -5.241 5.879 1.00 0.00 C ATOM 0 HA PRO A 39 14.678 -4.074 8.164 1.00 0.00 H new ATOM 0 HB2 PRO A 39 17.354 -2.786 7.498 1.00 0.00 H new ATOM 0 HB3 PRO A 39 17.039 -3.824 8.875 1.00 0.00 H new ATOM 0 HG2 PRO A 39 18.606 -4.582 6.757 1.00 0.00 H new ATOM 0 HG3 PRO A 39 17.744 -5.728 7.764 1.00 0.00 H new ATOM 0 HD2 PRO A 39 16.924 -4.671 4.984 1.00 0.00 H new ATOM 0 HD3 PRO A 39 16.740 -6.296 5.613 1.00 0.00 H new ATOM 604 N PRO A 40 14.874 -1.729 5.909 1.00 0.00 N ATOM 605 CA PRO A 40 14.068 -0.561 5.404 1.00 0.00 C ATOM 606 C PRO A 40 12.506 -0.546 5.547 1.00 0.00 C ATOM 607 O PRO A 40 11.961 0.239 6.290 1.00 0.00 O ATOM 608 CB PRO A 40 14.613 -0.184 4.062 1.00 0.00 C ATOM 609 CG PRO A 40 16.066 -0.796 4.072 1.00 0.00 C ATOM 610 CD PRO A 40 15.881 -2.073 4.878 1.00 0.00 C ATOM 0 HA PRO A 40 14.218 0.236 6.133 1.00 0.00 H new ATOM 0 HB2 PRO A 40 14.009 -0.596 3.253 1.00 0.00 H new ATOM 0 HB3 PRO A 40 14.633 0.897 3.926 1.00 0.00 H new ATOM 0 HG2 PRO A 40 16.427 -1.001 3.064 1.00 0.00 H new ATOM 0 HG3 PRO A 40 16.786 -0.123 4.538 1.00 0.00 H new ATOM 0 HD2 PRO A 40 15.537 -2.892 4.247 1.00 0.00 H new ATOM 0 HD3 PRO A 40 16.819 -2.393 5.332 1.00 0.00 H new ATOM 618 N CYS A 41 11.828 -1.586 4.932 1.00 0.00 N ATOM 619 CA CYS A 41 10.506 -1.986 5.341 1.00 0.00 C ATOM 620 C CYS A 41 10.212 -2.516 6.706 1.00 0.00 C ATOM 621 O CYS A 41 9.119 -2.290 7.191 1.00 0.00 O ATOM 622 CB CYS A 41 9.705 -2.713 4.244 1.00 0.00 C ATOM 623 SG CYS A 41 9.743 -1.783 2.663 1.00 0.00 S ATOM 0 H CYS A 41 12.210 -2.132 4.160 1.00 0.00 H new ATOM 0 HA CYS A 41 10.135 -0.972 5.492 1.00 0.00 H new ATOM 0 HB2 CYS A 41 10.116 -3.711 4.091 1.00 0.00 H new ATOM 0 HB3 CYS A 41 8.672 -2.840 4.569 1.00 0.00 H new ATOM 0 HG CYS A 41 9.060 -2.427 1.764 1.00 0.00 H new ATOM 629 N LYS A 42 11.129 -3.169 7.467 1.00 0.00 N ATOM 630 CA LYS A 42 11.131 -3.218 8.979 1.00 0.00 C ATOM 631 C LYS A 42 10.798 -1.890 9.736 1.00 0.00 C ATOM 632 O LYS A 42 9.821 -1.831 10.460 1.00 0.00 O ATOM 633 CB LYS A 42 12.434 -3.902 9.469 1.00 0.00 C ATOM 634 CG LYS A 42 12.231 -4.591 10.849 1.00 0.00 C ATOM 635 CD LYS A 42 13.369 -5.438 11.570 1.00 0.00 C ATOM 636 CE LYS A 42 12.838 -6.211 12.728 1.00 0.00 C ATOM 637 NZ LYS A 42 13.886 -6.914 13.531 1.00 0.00 N ATOM 0 H LYS A 42 11.905 -3.688 7.055 1.00 0.00 H new ATOM 0 HA LYS A 42 10.268 -3.825 9.254 1.00 0.00 H new ATOM 0 HB2 LYS A 42 12.756 -4.641 8.736 1.00 0.00 H new ATOM 0 HB3 LYS A 42 13.229 -3.161 9.545 1.00 0.00 H new ATOM 0 HG2 LYS A 42 11.940 -3.806 11.547 1.00 0.00 H new ATOM 0 HG3 LYS A 42 11.373 -5.255 10.740 1.00 0.00 H new ATOM 0 HD2 LYS A 42 13.821 -6.123 10.853 1.00 0.00 H new ATOM 0 HD3 LYS A 42 14.158 -4.768 11.912 1.00 0.00 H new ATOM 0 HE2 LYS A 42 12.290 -5.533 13.382 1.00 0.00 H new ATOM 0 HE3 LYS A 42 12.123 -6.947 12.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 13.436 -7.427 14.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 14.395 -7.587 12.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 14.557 -6.217 13.913 1.00 0.00 H new ATOM 650 N MET A 43 11.533 -0.804 9.554 1.00 0.00 N ATOM 651 CA MET A 43 11.201 0.599 9.982 1.00 0.00 C ATOM 652 C MET A 43 10.004 1.278 9.224 1.00 0.00 C ATOM 653 O MET A 43 9.280 2.024 9.861 1.00 0.00 O ATOM 654 CB MET A 43 12.484 1.414 10.077 1.00 0.00 C ATOM 655 CG MET A 43 13.183 1.682 8.678 1.00 0.00 C ATOM 656 SD MET A 43 14.886 2.351 8.875 1.00 0.00 S ATOM 657 CE MET A 43 14.455 4.132 8.738 1.00 0.00 C ATOM 0 H MET A 43 12.434 -0.851 9.079 1.00 0.00 H new ATOM 0 HA MET A 43 10.773 0.550 10.983 1.00 0.00 H new ATOM 0 HB2 MET A 43 12.261 2.371 10.549 1.00 0.00 H new ATOM 0 HB3 MET A 43 13.186 0.893 10.728 1.00 0.00 H new ATOM 0 HG2 MET A 43 13.222 0.753 8.108 1.00 0.00 H new ATOM 0 HG3 MET A 43 12.582 2.385 8.101 1.00 0.00 H new ATOM 0 HE1 MET A 43 15.359 4.733 8.832 1.00 0.00 H new ATOM 0 HE2 MET A 43 13.992 4.321 7.769 1.00 0.00 H new ATOM 0 HE3 MET A 43 13.758 4.400 9.532 1.00 0.00 H new ATOM 667 N ILE A 44 9.853 1.101 7.908 1.00 0.00 N ATOM 668 CA ILE A 44 8.682 1.538 7.134 1.00 0.00 C ATOM 669 C ILE A 44 7.287 1.081 7.634 1.00 0.00 C ATOM 670 O ILE A 44 6.343 1.815 7.584 1.00 0.00 O ATOM 671 CB ILE A 44 8.775 1.412 5.584 1.00 0.00 C ATOM 672 CG1 ILE A 44 8.465 2.784 4.840 1.00 0.00 C ATOM 673 CG2 ILE A 44 7.915 0.272 4.912 1.00 0.00 C ATOM 674 CD1 ILE A 44 9.479 3.849 5.168 1.00 0.00 C ATOM 0 H ILE A 44 10.558 0.638 7.335 1.00 0.00 H new ATOM 0 HA ILE A 44 8.750 2.601 7.365 1.00 0.00 H new ATOM 0 HB ILE A 44 9.818 1.124 5.451 1.00 0.00 H new ATOM 0 HG12 ILE A 44 8.451 2.617 3.763 1.00 0.00 H new ATOM 0 HG13 ILE A 44 7.471 3.132 5.121 1.00 0.00 H new ATOM 0 HG21 ILE A 44 8.067 0.290 3.833 1.00 0.00 H new ATOM 0 HG22 ILE A 44 8.223 -0.696 5.306 1.00 0.00 H new ATOM 0 HG23 ILE A 44 6.860 0.434 5.132 1.00 0.00 H new ATOM 0 HD11 ILE A 44 9.227 4.767 4.638 1.00 0.00 H new ATOM 0 HD12 ILE A 44 9.475 4.037 6.242 1.00 0.00 H new ATOM 0 HD13 ILE A 44 10.470 3.514 4.862 1.00 0.00 H new ATOM 686 N ALA A 45 7.088 -0.140 8.180 1.00 0.00 N ATOM 687 CA ALA A 45 5.876 -0.541 8.950 1.00 0.00 C ATOM 688 C ALA A 45 5.500 0.466 10.029 1.00 0.00 C ATOM 689 O ALA A 45 4.429 1.050 9.910 1.00 0.00 O ATOM 690 CB ALA A 45 5.930 -1.995 9.455 1.00 0.00 C ATOM 0 H ALA A 45 7.773 -0.891 8.100 1.00 0.00 H new ATOM 0 HA ALA A 45 5.052 -0.522 8.237 1.00 0.00 H new ATOM 0 HB1 ALA A 45 5.018 -2.222 10.007 1.00 0.00 H new ATOM 0 HB2 ALA A 45 6.018 -2.672 8.605 1.00 0.00 H new ATOM 0 HB3 ALA A 45 6.792 -2.121 10.110 1.00 0.00 H new ATOM 696 N PRO A 46 6.311 0.821 11.088 1.00 0.00 N ATOM 697 CA PRO A 46 6.138 1.995 11.942 1.00 0.00 C ATOM 698 C PRO A 46 5.852 3.326 11.327 1.00 0.00 C ATOM 699 O PRO A 46 4.962 4.005 11.779 1.00 0.00 O ATOM 700 CB PRO A 46 7.333 2.028 12.862 1.00 0.00 C ATOM 701 CG PRO A 46 7.628 0.583 13.028 1.00 0.00 C ATOM 702 CD PRO A 46 7.282 -0.127 11.705 1.00 0.00 C ATOM 0 HA PRO A 46 5.186 1.850 12.453 1.00 0.00 H new ATOM 0 HB2 PRO A 46 8.172 2.569 12.424 1.00 0.00 H new ATOM 0 HB3 PRO A 46 7.104 2.510 13.812 1.00 0.00 H new ATOM 0 HG2 PRO A 46 8.679 0.434 13.277 1.00 0.00 H new ATOM 0 HG3 PRO A 46 7.044 0.166 13.849 1.00 0.00 H new ATOM 0 HD2 PRO A 46 8.162 -0.274 11.079 1.00 0.00 H new ATOM 0 HD3 PRO A 46 6.842 -1.110 11.873 1.00 0.00 H new ATOM 710 N ILE A 47 6.612 3.756 10.331 1.00 0.00 N ATOM 711 CA ILE A 47 6.249 4.963 9.482 1.00 0.00 C ATOM 712 C ILE A 47 4.763 4.867 8.836 1.00 0.00 C ATOM 713 O ILE A 47 3.907 5.751 8.943 1.00 0.00 O ATOM 714 CB ILE A 47 7.412 5.387 8.471 1.00 0.00 C ATOM 715 CG1 ILE A 47 8.778 5.685 9.146 1.00 0.00 C ATOM 716 CG2 ILE A 47 7.190 6.579 7.514 1.00 0.00 C ATOM 717 CD1 ILE A 47 8.799 6.726 10.227 1.00 0.00 C ATOM 0 H ILE A 47 7.490 3.312 10.063 1.00 0.00 H new ATOM 0 HA ILE A 47 6.175 5.811 10.163 1.00 0.00 H new ATOM 0 HB ILE A 47 7.401 4.469 7.883 1.00 0.00 H new ATOM 0 HG12 ILE A 47 9.156 4.754 9.567 1.00 0.00 H new ATOM 0 HG13 ILE A 47 9.478 5.991 8.369 1.00 0.00 H new ATOM 0 HG21 ILE A 47 8.080 6.725 6.902 1.00 0.00 H new ATOM 0 HG22 ILE A 47 6.336 6.374 6.869 1.00 0.00 H new ATOM 0 HG23 ILE A 47 6.998 7.481 8.095 1.00 0.00 H new ATOM 0 HD11 ILE A 47 9.814 6.833 10.610 1.00 0.00 H new ATOM 0 HD12 ILE A 47 8.463 7.680 9.820 1.00 0.00 H new ATOM 0 HD13 ILE A 47 8.136 6.423 11.037 1.00 0.00 H new ATOM 729 N PHE A 48 4.477 3.801 8.093 1.00 0.00 N ATOM 730 CA PHE A 48 3.143 3.447 7.516 1.00 0.00 C ATOM 731 C PHE A 48 1.929 3.562 8.471 1.00 0.00 C ATOM 732 O PHE A 48 0.891 3.981 8.023 1.00 0.00 O ATOM 733 CB PHE A 48 3.260 1.996 6.877 1.00 0.00 C ATOM 734 CG PHE A 48 2.202 1.478 5.879 1.00 0.00 C ATOM 735 CD1 PHE A 48 1.889 2.162 4.728 1.00 0.00 C ATOM 736 CD2 PHE A 48 1.758 0.181 6.048 1.00 0.00 C ATOM 737 CE1 PHE A 48 1.140 1.520 3.698 1.00 0.00 C ATOM 738 CE2 PHE A 48 1.043 -0.487 5.033 1.00 0.00 C ATOM 739 CZ PHE A 48 0.766 0.202 3.847 1.00 0.00 C ATOM 0 H PHE A 48 5.192 3.114 7.854 1.00 0.00 H new ATOM 0 HA PHE A 48 2.915 4.202 6.763 1.00 0.00 H new ATOM 0 HB2 PHE A 48 4.225 1.946 6.373 1.00 0.00 H new ATOM 0 HB3 PHE A 48 3.294 1.285 7.703 1.00 0.00 H new ATOM 0 HD1 PHE A 48 2.210 3.186 4.604 1.00 0.00 H new ATOM 0 HD2 PHE A 48 1.963 -0.332 6.976 1.00 0.00 H new ATOM 0 HE1 PHE A 48 0.867 2.064 2.806 1.00 0.00 H new ATOM 0 HE2 PHE A 48 0.716 -1.508 5.168 1.00 0.00 H new ATOM 0 HZ PHE A 48 0.255 -0.304 3.041 1.00 0.00 H new ATOM 749 N ALA A 49 2.216 3.129 9.721 1.00 0.00 N ATOM 750 CA ALA A 49 1.363 3.233 10.909 1.00 0.00 C ATOM 751 C ALA A 49 1.147 4.642 11.514 1.00 0.00 C ATOM 752 O ALA A 49 0.014 5.092 11.685 1.00 0.00 O ATOM 753 CB ALA A 49 1.829 2.190 11.953 1.00 0.00 C ATOM 0 H ALA A 49 3.104 2.672 9.930 1.00 0.00 H new ATOM 0 HA ALA A 49 0.354 3.009 10.563 1.00 0.00 H new ATOM 0 HB1 ALA A 49 1.201 2.259 12.841 1.00 0.00 H new ATOM 0 HB2 ALA A 49 1.749 1.189 11.528 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.866 2.386 12.226 1.00 0.00 H new ATOM 759 N GLU A 50 2.221 5.435 11.847 1.00 0.00 N ATOM 760 CA GLU A 50 2.098 6.888 12.170 1.00 0.00 C ATOM 761 C GLU A 50 1.349 7.762 10.995 1.00 0.00 C ATOM 762 O GLU A 50 0.493 8.590 11.292 1.00 0.00 O ATOM 763 CB GLU A 50 3.480 7.471 12.495 1.00 0.00 C ATOM 764 CG GLU A 50 3.561 8.805 13.219 1.00 0.00 C ATOM 765 CD GLU A 50 5.001 9.141 13.743 1.00 0.00 C ATOM 766 OE1 GLU A 50 5.956 8.330 13.767 1.00 0.00 O ATOM 767 OE2 GLU A 50 5.205 10.492 13.941 1.00 0.00 O ATOM 0 H GLU A 50 3.178 5.085 11.896 1.00 0.00 H new ATOM 0 HA GLU A 50 1.455 6.963 13.047 1.00 0.00 H new ATOM 0 HB2 GLU A 50 4.015 6.736 13.097 1.00 0.00 H new ATOM 0 HB3 GLU A 50 4.025 7.572 11.556 1.00 0.00 H new ATOM 0 HG2 GLU A 50 3.233 9.597 12.545 1.00 0.00 H new ATOM 0 HG3 GLU A 50 2.869 8.796 14.061 1.00 0.00 H new ATOM 775 N LEU A 51 1.787 7.620 9.710 1.00 0.00 N ATOM 776 CA LEU A 51 0.986 8.029 8.534 1.00 0.00 C ATOM 777 C LEU A 51 -0.520 7.589 8.525 1.00 0.00 C ATOM 778 O LEU A 51 -1.415 8.416 8.251 1.00 0.00 O ATOM 779 CB LEU A 51 1.876 7.746 7.311 1.00 0.00 C ATOM 780 CG LEU A 51 1.486 8.144 5.886 1.00 0.00 C ATOM 781 CD1 LEU A 51 0.722 6.986 5.260 1.00 0.00 C ATOM 782 CD2 LEU A 51 0.638 9.473 5.784 1.00 0.00 C ATOM 0 H LEU A 51 2.695 7.223 9.470 1.00 0.00 H new ATOM 0 HA LEU A 51 0.756 9.095 8.543 1.00 0.00 H new ATOM 0 HB2 LEU A 51 2.837 8.219 7.512 1.00 0.00 H new ATOM 0 HB3 LEU A 51 2.047 6.670 7.296 1.00 0.00 H new ATOM 0 HG LEU A 51 2.410 8.356 5.349 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.434 7.248 4.242 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.356 6.100 5.240 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.172 6.779 5.849 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.407 9.678 4.739 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.289 9.357 6.345 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.211 10.303 6.198 1.00 0.00 H new ATOM 794 N ALA A 52 -0.869 6.299 8.753 1.00 0.00 N ATOM 795 CA ALA A 52 -2.258 5.841 8.975 1.00 0.00 C ATOM 796 C ALA A 52 -3.116 6.548 10.061 1.00 0.00 C ATOM 797 O ALA A 52 -4.299 6.861 9.824 1.00 0.00 O ATOM 798 CB ALA A 52 -2.182 4.312 9.223 1.00 0.00 C ATOM 0 H ALA A 52 -0.186 5.542 8.788 1.00 0.00 H new ATOM 0 HA ALA A 52 -2.810 6.121 8.078 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -3.185 3.921 9.393 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -1.745 3.823 8.352 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.562 4.116 10.098 1.00 0.00 H new ATOM 804 N LYS A 53 -2.558 6.943 11.207 1.00 0.00 N ATOM 805 CA LYS A 53 -3.110 7.788 12.247 1.00 0.00 C ATOM 806 C LYS A 53 -3.293 9.281 11.831 1.00 0.00 C ATOM 807 O LYS A 53 -4.310 9.892 12.249 1.00 0.00 O ATOM 808 CB LYS A 53 -2.333 7.556 13.595 1.00 0.00 C ATOM 809 CG LYS A 53 -2.553 6.189 14.203 1.00 0.00 C ATOM 810 CD LYS A 53 -1.366 5.688 15.084 1.00 0.00 C ATOM 811 CE LYS A 53 -1.381 4.157 15.407 1.00 0.00 C ATOM 812 NZ LYS A 53 -0.252 3.645 16.208 1.00 0.00 N ATOM 0 H LYS A 53 -1.612 6.644 11.446 1.00 0.00 H new ATOM 0 HA LYS A 53 -4.141 7.480 12.420 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -1.267 7.696 13.417 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.639 8.316 14.314 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -3.458 6.214 14.810 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -2.727 5.470 13.402 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -0.431 5.928 14.577 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -1.371 6.242 16.023 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -2.306 3.928 15.935 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -1.408 3.609 14.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -0.369 2.623 16.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 0.640 3.821 15.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -0.231 4.130 17.128 1.00 0.00 H new ATOM 825 N LYS A 54 -2.383 9.859 11.093 1.00 0.00 N ATOM 826 CA LYS A 54 -2.424 11.205 10.479 1.00 0.00 C ATOM 827 C LYS A 54 -3.565 11.514 9.485 1.00 0.00 C ATOM 828 O LYS A 54 -3.957 12.679 9.243 1.00 0.00 O ATOM 829 CB LYS A 54 -0.971 11.484 9.963 1.00 0.00 C ATOM 830 CG LYS A 54 -0.737 12.956 9.584 1.00 0.00 C ATOM 831 CD LYS A 54 0.683 13.200 8.958 1.00 0.00 C ATOM 832 CE LYS A 54 1.924 13.027 9.907 1.00 0.00 C ATOM 833 NZ LYS A 54 3.212 13.335 9.312 1.00 0.00 N ATOM 0 H LYS A 54 -1.511 9.378 10.874 1.00 0.00 H new ATOM 0 HA LYS A 54 -2.718 11.929 11.239 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -0.257 11.196 10.734 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -0.773 10.856 9.094 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -1.502 13.271 8.874 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -0.851 13.578 10.472 1.00 0.00 H new ATOM 0 HD2 LYS A 54 0.803 12.518 8.116 1.00 0.00 H new ATOM 0 HD3 LYS A 54 0.705 14.212 8.554 1.00 0.00 H new ATOM 0 HE2 LYS A 54 1.784 13.665 10.780 1.00 0.00 H new ATOM 0 HE3 LYS A 54 1.945 11.998 10.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.963 13.190 10.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 3.376 12.710 8.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 3.220 14.326 8.996 1.00 0.00 H new ATOM 846 N PHE A 55 -3.961 10.446 8.732 1.00 0.00 N ATOM 847 CA PHE A 55 -4.615 10.457 7.412 1.00 0.00 C ATOM 848 C PHE A 55 -5.795 9.458 7.387 1.00 0.00 C ATOM 849 O PHE A 55 -5.557 8.229 7.222 1.00 0.00 O ATOM 850 CB PHE A 55 -3.506 10.227 6.353 1.00 0.00 C ATOM 851 CG PHE A 55 -3.036 11.588 5.759 1.00 0.00 C ATOM 852 CD1 PHE A 55 -3.946 12.256 4.928 1.00 0.00 C ATOM 853 CD2 PHE A 55 -1.838 12.241 6.083 1.00 0.00 C ATOM 854 CE1 PHE A 55 -3.610 13.485 4.351 1.00 0.00 C ATOM 855 CE2 PHE A 55 -1.496 13.480 5.535 1.00 0.00 C ATOM 856 CZ PHE A 55 -2.375 14.079 4.636 1.00 0.00 C ATOM 0 H PHE A 55 -3.816 9.493 9.066 1.00 0.00 H new ATOM 0 HA PHE A 55 -5.086 11.411 7.178 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -2.661 9.710 6.808 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -3.882 9.585 5.556 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -4.914 11.818 4.732 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -1.158 11.771 6.778 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -4.304 13.976 3.685 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -0.568 13.964 5.803 1.00 0.00 H new ATOM 0 HZ PHE A 55 -2.102 15.007 4.156 1.00 0.00 H new ATOM 866 N PRO A 56 -7.054 9.918 7.626 1.00 0.00 N ATOM 867 CA PRO A 56 -8.420 9.237 7.679 1.00 0.00 C ATOM 868 C PRO A 56 -9.187 8.638 6.502 1.00 0.00 C ATOM 869 O PRO A 56 -9.889 7.640 6.621 1.00 0.00 O ATOM 870 CB PRO A 56 -9.320 10.200 8.441 1.00 0.00 C ATOM 871 CG PRO A 56 -8.835 11.497 7.808 1.00 0.00 C ATOM 872 CD PRO A 56 -7.323 11.358 7.762 1.00 0.00 C ATOM 0 HA PRO A 56 -8.141 8.274 8.107 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -10.381 10.015 8.270 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -9.160 10.168 9.519 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -9.251 11.631 6.810 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -9.136 12.363 8.398 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -6.905 11.914 6.923 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -6.866 11.757 8.668 1.00 0.00 H new ATOM 880 N ASN A 57 -9.062 9.290 5.344 1.00 0.00 N ATOM 881 CA ASN A 57 -9.626 8.921 4.018 1.00 0.00 C ATOM 882 C ASN A 57 -9.003 7.677 3.252 1.00 0.00 C ATOM 883 O ASN A 57 -9.320 7.426 2.084 1.00 0.00 O ATOM 884 CB ASN A 57 -9.751 10.160 3.092 1.00 0.00 C ATOM 885 CG ASN A 57 -8.508 10.896 2.661 1.00 0.00 C ATOM 886 OD1 ASN A 57 -7.856 10.545 1.681 1.00 0.00 O ATOM 887 ND2 ASN A 57 -8.122 11.965 3.331 1.00 0.00 N ATOM 0 H ASN A 57 -8.526 10.156 5.291 1.00 0.00 H new ATOM 0 HA ASN A 57 -10.613 8.545 4.286 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -10.271 9.841 2.189 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -10.398 10.879 3.595 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -7.296 12.483 3.032 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -8.650 12.273 4.148 1.00 0.00 H new ATOM 894 N VAL A 58 -8.071 6.994 3.891 1.00 0.00 N ATOM 895 CA VAL A 58 -7.043 6.217 3.201 1.00 0.00 C ATOM 896 C VAL A 58 -6.702 4.927 4.017 1.00 0.00 C ATOM 897 O VAL A 58 -6.203 5.000 5.108 1.00 0.00 O ATOM 898 CB VAL A 58 -5.905 7.234 2.812 1.00 0.00 C ATOM 899 CG1 VAL A 58 -5.358 8.213 3.873 1.00 0.00 C ATOM 900 CG2 VAL A 58 -4.716 6.616 2.080 1.00 0.00 C ATOM 0 H VAL A 58 -8.001 6.959 4.908 1.00 0.00 H new ATOM 0 HA VAL A 58 -7.344 5.770 2.254 1.00 0.00 H new ATOM 0 HB VAL A 58 -6.509 7.847 2.143 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -4.582 8.836 3.428 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -6.168 8.846 4.236 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -4.937 7.649 4.706 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -3.985 7.392 1.854 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -4.255 5.856 2.711 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -5.058 6.158 1.152 1.00 0.00 H new ATOM 910 N THR A 59 -7.174 3.806 3.431 1.00 0.00 N ATOM 911 CA THR A 59 -6.844 2.388 3.810 1.00 0.00 C ATOM 912 C THR A 59 -5.335 2.058 3.437 1.00 0.00 C ATOM 913 O THR A 59 -4.727 2.606 2.529 1.00 0.00 O ATOM 914 CB THR A 59 -7.827 1.359 3.127 1.00 0.00 C ATOM 915 OG1 THR A 59 -9.182 1.491 3.445 1.00 0.00 O ATOM 916 CG2 THR A 59 -7.604 -0.116 3.502 1.00 0.00 C ATOM 0 H THR A 59 -7.824 3.851 2.646 1.00 0.00 H new ATOM 0 HA THR A 59 -6.970 2.291 4.888 1.00 0.00 H new ATOM 0 HB THR A 59 -7.596 1.603 2.090 1.00 0.00 H new ATOM 0 HG1 THR A 59 -9.698 0.808 2.968 1.00 0.00 H new ATOM 0 HG21 THR A 59 -8.331 -0.738 2.979 1.00 0.00 H new ATOM 0 HG22 THR A 59 -6.596 -0.416 3.215 1.00 0.00 H new ATOM 0 HG23 THR A 59 -7.727 -0.240 4.578 1.00 0.00 H new ATOM 924 N PHE A 60 -4.842 1.006 4.179 1.00 0.00 N ATOM 925 CA PHE A 60 -3.408 0.664 4.202 1.00 0.00 C ATOM 926 C PHE A 60 -3.275 -0.829 4.415 1.00 0.00 C ATOM 927 O PHE A 60 -3.799 -1.378 5.324 1.00 0.00 O ATOM 928 CB PHE A 60 -2.503 1.516 5.141 1.00 0.00 C ATOM 929 CG PHE A 60 -2.524 3.079 5.018 1.00 0.00 C ATOM 930 CD1 PHE A 60 -1.873 3.615 3.927 1.00 0.00 C ATOM 931 CD2 PHE A 60 -3.337 3.907 5.790 1.00 0.00 C ATOM 932 CE1 PHE A 60 -1.821 4.978 3.742 1.00 0.00 C ATOM 933 CE2 PHE A 60 -3.347 5.294 5.559 1.00 0.00 C ATOM 934 CZ PHE A 60 -2.547 5.880 4.569 1.00 0.00 C ATOM 0 H PHE A 60 -5.425 0.399 4.756 1.00 0.00 H new ATOM 0 HA PHE A 60 -3.002 0.941 3.229 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -2.769 1.265 6.168 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -1.474 1.189 4.989 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -1.400 2.959 3.211 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -3.959 3.484 6.565 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -1.210 5.375 2.945 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -3.987 5.923 6.160 1.00 0.00 H new ATOM 0 HZ PHE A 60 -2.485 6.951 4.441 1.00 0.00 H new ATOM 944 N LEU A 61 -2.592 -1.480 3.465 1.00 0.00 N ATOM 945 CA LEU A 61 -2.502 -2.927 3.277 1.00 0.00 C ATOM 946 C LEU A 61 -1.093 -3.269 2.677 1.00 0.00 C ATOM 947 O LEU A 61 -0.444 -2.492 1.982 1.00 0.00 O ATOM 948 CB LEU A 61 -3.728 -3.596 2.557 1.00 0.00 C ATOM 949 CG LEU A 61 -3.679 -3.869 0.990 1.00 0.00 C ATOM 950 CD1 LEU A 61 -3.320 -5.222 0.544 1.00 0.00 C ATOM 951 CD2 LEU A 61 -5.054 -3.637 0.399 1.00 0.00 C ATOM 0 H LEU A 61 -2.053 -0.973 2.763 1.00 0.00 H new ATOM 0 HA LEU A 61 -2.579 -3.402 4.255 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.909 -4.553 3.047 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -4.599 -2.969 2.750 1.00 0.00 H new ATOM 0 HG LEU A 61 -2.891 -3.192 0.660 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.327 -5.260 -0.545 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.324 -5.473 0.909 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -4.042 -5.938 0.937 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -5.025 -3.823 -0.675 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.769 -4.314 0.865 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -5.359 -2.606 0.580 1.00 0.00 H new ATOM 963 N LYS A 62 -0.627 -4.431 3.091 1.00 0.00 N ATOM 964 CA LYS A 62 0.787 -4.779 3.008 1.00 0.00 C ATOM 965 C LYS A 62 0.928 -6.302 2.772 1.00 0.00 C ATOM 966 O LYS A 62 0.917 -7.175 3.624 1.00 0.00 O ATOM 967 CB LYS A 62 1.623 -4.287 4.241 1.00 0.00 C ATOM 968 CG LYS A 62 1.192 -4.724 5.684 1.00 0.00 C ATOM 969 CD LYS A 62 2.029 -4.265 6.905 1.00 0.00 C ATOM 970 CE LYS A 62 3.390 -4.954 7.122 1.00 0.00 C ATOM 971 NZ LYS A 62 3.416 -6.466 7.305 1.00 0.00 N ATOM 0 H LYS A 62 -1.213 -5.162 3.494 1.00 0.00 H new ATOM 0 HA LYS A 62 1.213 -4.247 2.157 1.00 0.00 H new ATOM 0 HB2 LYS A 62 2.651 -4.617 4.092 1.00 0.00 H new ATOM 0 HB3 LYS A 62 1.631 -3.197 4.217 1.00 0.00 H new ATOM 0 HG2 LYS A 62 0.171 -4.375 5.839 1.00 0.00 H new ATOM 0 HG3 LYS A 62 1.163 -5.813 5.700 1.00 0.00 H new ATOM 0 HD2 LYS A 62 2.204 -3.193 6.812 1.00 0.00 H new ATOM 0 HD3 LYS A 62 1.428 -4.413 7.802 1.00 0.00 H new ATOM 0 HE2 LYS A 62 4.024 -4.712 6.269 1.00 0.00 H new ATOM 0 HE3 LYS A 62 3.853 -4.505 8.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 4.397 -6.783 7.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.851 -6.725 8.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 3.017 -6.925 6.461 1.00 0.00 H new ATOM 984 N VAL A 63 1.187 -6.542 1.506 1.00 0.00 N ATOM 985 CA VAL A 63 1.446 -7.847 0.878 1.00 0.00 C ATOM 986 C VAL A 63 2.913 -8.354 1.178 1.00 0.00 C ATOM 987 O VAL A 63 3.922 -7.819 0.705 1.00 0.00 O ATOM 988 CB VAL A 63 1.096 -7.901 -0.669 1.00 0.00 C ATOM 989 CG1 VAL A 63 1.251 -9.327 -1.169 1.00 0.00 C ATOM 990 CG2 VAL A 63 -0.300 -7.371 -1.050 1.00 0.00 C ATOM 0 H VAL A 63 1.228 -5.783 0.826 1.00 0.00 H new ATOM 0 HA VAL A 63 0.751 -8.543 1.347 1.00 0.00 H new ATOM 0 HB VAL A 63 1.801 -7.223 -1.150 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.011 -9.368 -2.232 1.00 0.00 H new ATOM 0 HG12 VAL A 63 2.279 -9.657 -1.016 1.00 0.00 H new ATOM 0 HG13 VAL A 63 0.574 -9.981 -0.619 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -0.438 -7.452 -2.128 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -1.064 -7.959 -0.541 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -0.387 -6.326 -0.751 1.00 0.00 H new ATOM 1000 N ASP A 64 2.925 -9.599 1.767 1.00 0.00 N ATOM 1001 CA ASP A 64 4.112 -10.572 1.682 1.00 0.00 C ATOM 1002 C ASP A 64 4.308 -11.084 0.230 1.00 0.00 C ATOM 1003 O ASP A 64 3.588 -11.971 -0.171 1.00 0.00 O ATOM 1004 CB ASP A 64 3.684 -11.690 2.718 1.00 0.00 C ATOM 1005 CG ASP A 64 4.765 -12.796 2.912 1.00 0.00 C ATOM 1006 OD1 ASP A 64 5.150 -13.628 2.064 1.00 0.00 O ATOM 1007 OD2 ASP A 64 5.314 -12.775 4.184 1.00 0.00 O ATOM 0 H ASP A 64 2.139 -9.964 2.305 1.00 0.00 H new ATOM 0 HA ASP A 64 5.085 -10.144 1.922 1.00 0.00 H new ATOM 0 HB2 ASP A 64 3.475 -11.223 3.680 1.00 0.00 H new ATOM 0 HB3 ASP A 64 2.757 -12.153 2.380 1.00 0.00 H new ATOM 1013 N VAL A 65 5.110 -10.367 -0.491 1.00 0.00 N ATOM 1014 CA VAL A 65 5.579 -10.704 -1.813 1.00 0.00 C ATOM 1015 C VAL A 65 6.110 -12.131 -2.099 1.00 0.00 C ATOM 1016 O VAL A 65 5.764 -12.679 -3.123 1.00 0.00 O ATOM 1017 CB VAL A 65 6.439 -9.564 -2.385 1.00 0.00 C ATOM 1018 CG1 VAL A 65 7.940 -9.629 -2.002 1.00 0.00 C ATOM 1019 CG2 VAL A 65 6.328 -9.397 -3.942 1.00 0.00 C ATOM 0 H VAL A 65 5.481 -9.477 -0.160 1.00 0.00 H new ATOM 0 HA VAL A 65 4.657 -10.790 -2.388 1.00 0.00 H new ATOM 0 HB VAL A 65 6.002 -8.690 -1.903 1.00 0.00 H new ATOM 0 HG11 VAL A 65 8.467 -8.786 -2.450 1.00 0.00 H new ATOM 0 HG12 VAL A 65 8.041 -9.585 -0.918 1.00 0.00 H new ATOM 0 HG13 VAL A 65 8.369 -10.561 -2.369 1.00 0.00 H new ATOM 0 HG21 VAL A 65 6.964 -8.573 -4.266 1.00 0.00 H new ATOM 0 HG22 VAL A 65 6.649 -10.317 -4.430 1.00 0.00 H new ATOM 0 HG23 VAL A 65 5.294 -9.185 -4.212 1.00 0.00 H new ATOM 1029 N ASP A 66 6.779 -12.825 -1.086 1.00 0.00 N ATOM 1030 CA ASP A 66 7.119 -14.316 -1.177 1.00 0.00 C ATOM 1031 C ASP A 66 5.929 -15.275 -1.396 1.00 0.00 C ATOM 1032 O ASP A 66 6.110 -16.174 -2.186 1.00 0.00 O ATOM 1033 CB ASP A 66 8.165 -14.905 -0.173 1.00 0.00 C ATOM 1034 CG ASP A 66 9.541 -14.118 -0.126 1.00 0.00 C ATOM 1035 OD1 ASP A 66 10.281 -14.034 -1.113 1.00 0.00 O ATOM 1036 OD2 ASP A 66 9.779 -13.601 1.079 1.00 0.00 O ATOM 0 H ASP A 66 7.086 -12.387 -0.218 1.00 0.00 H new ATOM 0 HA ASP A 66 7.666 -14.275 -2.119 1.00 0.00 H new ATOM 0 HB2 ASP A 66 7.729 -14.910 0.826 1.00 0.00 H new ATOM 0 HB3 ASP A 66 8.363 -15.943 -0.440 1.00 0.00 H new ATOM 1042 N GLU A 67 4.890 -15.092 -0.627 1.00 0.00 N ATOM 1043 CA GLU A 67 3.546 -15.680 -0.869 1.00 0.00 C ATOM 1044 C GLU A 67 2.819 -15.397 -2.161 1.00 0.00 C ATOM 1045 O GLU A 67 2.019 -16.249 -2.569 1.00 0.00 O ATOM 1046 CB GLU A 67 2.725 -15.289 0.357 1.00 0.00 C ATOM 1047 CG GLU A 67 2.677 -16.247 1.590 1.00 0.00 C ATOM 1048 CD GLU A 67 1.597 -15.875 2.565 1.00 0.00 C ATOM 1049 OE1 GLU A 67 1.528 -14.839 3.205 1.00 0.00 O ATOM 1050 OE2 GLU A 67 0.686 -16.868 2.708 1.00 0.00 O ATOM 0 H GLU A 67 4.928 -14.518 0.215 1.00 0.00 H new ATOM 0 HA GLU A 67 3.694 -16.751 -1.009 1.00 0.00 H new ATOM 0 HB2 GLU A 67 3.098 -14.326 0.706 1.00 0.00 H new ATOM 0 HB3 GLU A 67 1.699 -15.132 0.026 1.00 0.00 H new ATOM 0 HG2 GLU A 67 2.516 -17.269 1.246 1.00 0.00 H new ATOM 0 HG3 GLU A 67 3.642 -16.230 2.097 1.00 0.00 H new ATOM 1058 N LEU A 68 3.125 -14.210 -2.864 1.00 0.00 N ATOM 1059 CA LEU A 68 2.317 -13.570 -3.982 1.00 0.00 C ATOM 1060 C LEU A 68 3.101 -12.691 -5.027 1.00 0.00 C ATOM 1061 O LEU A 68 2.817 -11.532 -5.430 1.00 0.00 O ATOM 1062 CB LEU A 68 1.202 -12.683 -3.199 1.00 0.00 C ATOM 1063 CG LEU A 68 -0.044 -13.387 -2.524 1.00 0.00 C ATOM 1064 CD1 LEU A 68 -0.873 -12.475 -1.620 1.00 0.00 C ATOM 1065 CD2 LEU A 68 -0.984 -13.913 -3.599 1.00 0.00 C ATOM 0 H LEU A 68 3.965 -13.673 -2.649 1.00 0.00 H new ATOM 0 HA LEU A 68 1.920 -14.359 -4.621 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.721 -12.127 -2.418 1.00 0.00 H new ATOM 0 HB3 LEU A 68 0.815 -11.951 -3.908 1.00 0.00 H new ATOM 0 HG LEU A 68 0.380 -14.179 -1.907 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -1.706 -13.039 -1.200 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -0.247 -12.096 -0.812 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -1.259 -11.638 -2.203 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.840 -14.397 -3.129 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -1.330 -13.084 -4.217 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -0.456 -14.635 -4.222 1.00 0.00 H new ATOM 1077 N LYS A 69 4.241 -13.276 -5.447 1.00 0.00 N ATOM 1078 CA LYS A 69 5.227 -12.723 -6.520 1.00 0.00 C ATOM 1079 C LYS A 69 4.644 -12.557 -8.012 1.00 0.00 C ATOM 1080 O LYS A 69 4.830 -11.544 -8.665 1.00 0.00 O ATOM 1081 CB LYS A 69 6.599 -13.423 -6.470 1.00 0.00 C ATOM 1082 CG LYS A 69 6.603 -14.918 -6.743 1.00 0.00 C ATOM 1083 CD LYS A 69 7.998 -15.604 -6.523 1.00 0.00 C ATOM 1084 CE LYS A 69 8.267 -15.972 -5.041 1.00 0.00 C ATOM 1085 NZ LYS A 69 9.392 -16.926 -5.024 1.00 0.00 N ATOM 0 H LYS A 69 4.550 -14.171 -5.068 1.00 0.00 H new ATOM 0 HA LYS A 69 5.380 -11.687 -6.218 1.00 0.00 H new ATOM 0 HB2 LYS A 69 7.255 -12.941 -7.195 1.00 0.00 H new ATOM 0 HB3 LYS A 69 7.033 -13.254 -5.485 1.00 0.00 H new ATOM 0 HG2 LYS A 69 5.868 -15.397 -6.096 1.00 0.00 H new ATOM 0 HG3 LYS A 69 6.283 -15.090 -7.771 1.00 0.00 H new ATOM 0 HD2 LYS A 69 8.052 -16.507 -7.131 1.00 0.00 H new ATOM 0 HD3 LYS A 69 8.784 -14.936 -6.874 1.00 0.00 H new ATOM 0 HE2 LYS A 69 8.510 -15.081 -4.462 1.00 0.00 H new ATOM 0 HE3 LYS A 69 7.380 -16.415 -4.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 9.602 -17.197 -4.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 9.137 -17.773 -5.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 10.231 -16.481 -5.448 1.00 0.00 H new ATOM 1098 N ALA A 70 3.920 -13.524 -8.413 1.00 0.00 N ATOM 1099 CA ALA A 70 3.145 -13.581 -9.766 1.00 0.00 C ATOM 1100 C ALA A 70 2.240 -12.332 -10.029 1.00 0.00 C ATOM 1101 O ALA A 70 2.484 -11.569 -10.946 1.00 0.00 O ATOM 1102 CB ALA A 70 2.395 -14.915 -9.910 1.00 0.00 C ATOM 0 H ALA A 70 3.790 -14.367 -7.853 1.00 0.00 H new ATOM 0 HA ALA A 70 3.891 -13.538 -10.559 1.00 0.00 H new ATOM 0 HB1 ALA A 70 1.862 -14.932 -10.861 1.00 0.00 H new ATOM 0 HB2 ALA A 70 3.108 -15.739 -9.879 1.00 0.00 H new ATOM 0 HB3 ALA A 70 1.682 -15.022 -9.092 1.00 0.00 H new ATOM 1108 N VAL A 71 1.185 -12.114 -9.253 1.00 0.00 N ATOM 1109 CA VAL A 71 0.402 -10.878 -9.262 1.00 0.00 C ATOM 1110 C VAL A 71 1.199 -9.521 -8.874 1.00 0.00 C ATOM 1111 O VAL A 71 0.955 -8.498 -9.508 1.00 0.00 O ATOM 1112 CB VAL A 71 -0.896 -11.029 -8.391 1.00 0.00 C ATOM 1113 CG1 VAL A 71 -0.585 -11.275 -6.915 1.00 0.00 C ATOM 1114 CG2 VAL A 71 -1.837 -9.763 -8.430 1.00 0.00 C ATOM 0 H VAL A 71 0.841 -12.804 -8.585 1.00 0.00 H new ATOM 0 HA VAL A 71 0.139 -10.742 -10.311 1.00 0.00 H new ATOM 0 HB VAL A 71 -1.400 -11.885 -8.840 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -1.517 -11.372 -6.358 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -0.004 -12.192 -6.813 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -0.011 -10.437 -6.519 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -2.712 -9.941 -7.805 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -1.295 -8.895 -8.056 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -2.155 -9.577 -9.456 1.00 0.00 H new ATOM 1124 N ALA A 72 2.071 -9.395 -7.828 1.00 0.00 N ATOM 1125 CA ALA A 72 3.030 -8.243 -7.601 1.00 0.00 C ATOM 1126 C ALA A 72 3.787 -7.735 -8.832 1.00 0.00 C ATOM 1127 O ALA A 72 3.690 -6.623 -9.188 1.00 0.00 O ATOM 1128 CB ALA A 72 4.083 -8.736 -6.610 1.00 0.00 C ATOM 0 H ALA A 72 2.136 -10.103 -7.097 1.00 0.00 H new ATOM 0 HA ALA A 72 2.417 -7.408 -7.262 1.00 0.00 H new ATOM 0 HB1 ALA A 72 4.800 -7.938 -6.414 1.00 0.00 H new ATOM 0 HB2 ALA A 72 3.598 -9.026 -5.678 1.00 0.00 H new ATOM 0 HB3 ALA A 72 4.604 -9.596 -7.030 1.00 0.00 H new ATOM 1134 N GLU A 73 4.313 -8.690 -9.535 1.00 0.00 N ATOM 1135 CA GLU A 73 4.868 -8.554 -10.904 1.00 0.00 C ATOM 1136 C GLU A 73 3.897 -7.955 -11.873 1.00 0.00 C ATOM 1137 O GLU A 73 4.219 -6.884 -12.429 1.00 0.00 O ATOM 1138 CB GLU A 73 5.597 -9.906 -11.247 1.00 0.00 C ATOM 1139 CG GLU A 73 6.212 -9.884 -12.583 1.00 0.00 C ATOM 1140 CD GLU A 73 6.948 -11.130 -13.056 1.00 0.00 C ATOM 1141 OE1 GLU A 73 6.488 -12.341 -12.941 1.00 0.00 O ATOM 1142 OE2 GLU A 73 8.108 -10.847 -13.714 1.00 0.00 O ATOM 0 H GLU A 73 4.384 -9.643 -9.179 1.00 0.00 H new ATOM 0 HA GLU A 73 5.643 -7.792 -10.984 1.00 0.00 H new ATOM 0 HB2 GLU A 73 6.365 -10.102 -10.499 1.00 0.00 H new ATOM 0 HB3 GLU A 73 4.881 -10.726 -11.192 1.00 0.00 H new ATOM 0 HG2 GLU A 73 5.427 -9.666 -13.307 1.00 0.00 H new ATOM 0 HG3 GLU A 73 6.914 -9.051 -12.613 1.00 0.00 H new ATOM 1150 N GLU A 74 2.748 -8.575 -12.064 1.00 0.00 N ATOM 1151 CA GLU A 74 1.606 -7.917 -12.883 1.00 0.00 C ATOM 1152 C GLU A 74 1.328 -6.343 -12.584 1.00 0.00 C ATOM 1153 O GLU A 74 1.237 -5.598 -13.569 1.00 0.00 O ATOM 1154 CB GLU A 74 0.338 -8.905 -12.797 1.00 0.00 C ATOM 1155 CG GLU A 74 -1.092 -8.419 -12.303 1.00 0.00 C ATOM 1156 CD GLU A 74 -1.975 -7.570 -13.239 1.00 0.00 C ATOM 1157 OE1 GLU A 74 -1.469 -6.904 -14.134 1.00 0.00 O ATOM 1158 OE2 GLU A 74 -3.284 -7.512 -12.896 1.00 0.00 O ATOM 0 H GLU A 74 2.530 -9.503 -11.700 1.00 0.00 H new ATOM 0 HA GLU A 74 1.909 -7.822 -13.926 1.00 0.00 H new ATOM 0 HB2 GLU A 74 0.198 -9.321 -13.795 1.00 0.00 H new ATOM 0 HB3 GLU A 74 0.629 -9.730 -12.146 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -1.663 -9.308 -12.034 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -0.943 -7.846 -11.388 1.00 0.00 H new ATOM 1166 N TRP A 75 1.059 -5.972 -11.288 1.00 0.00 N ATOM 1167 CA TRP A 75 0.969 -4.601 -10.864 1.00 0.00 C ATOM 1168 C TRP A 75 2.125 -3.632 -11.228 1.00 0.00 C ATOM 1169 O TRP A 75 1.817 -2.512 -11.577 1.00 0.00 O ATOM 1170 CB TRP A 75 0.551 -4.279 -9.491 1.00 0.00 C ATOM 1171 CG TRP A 75 -0.545 -5.050 -8.728 1.00 0.00 C ATOM 1172 CD1 TRP A 75 -0.289 -5.793 -7.615 1.00 0.00 C ATOM 1173 CD2 TRP A 75 -1.838 -5.347 -9.189 1.00 0.00 C ATOM 1174 NE1 TRP A 75 -1.481 -6.536 -7.196 1.00 0.00 N ATOM 1175 CE2 TRP A 75 -2.393 -6.298 -8.222 1.00 0.00 C ATOM 1176 CE3 TRP A 75 -2.567 -4.921 -10.213 1.00 0.00 C ATOM 1177 CZ2 TRP A 75 -3.599 -6.944 -8.497 1.00 0.00 C ATOM 1178 CZ3 TRP A 75 -3.857 -5.391 -10.468 1.00 0.00 C ATOM 1179 CH2 TRP A 75 -4.303 -6.480 -9.727 1.00 0.00 C ATOM 0 H TRP A 75 0.904 -6.644 -10.536 1.00 0.00 H new ATOM 0 HA TRP A 75 0.118 -4.422 -11.521 1.00 0.00 H new ATOM 0 HB2 TRP A 75 1.449 -4.336 -8.876 1.00 0.00 H new ATOM 0 HB3 TRP A 75 0.239 -3.235 -9.503 1.00 0.00 H new ATOM 0 HD1 TRP A 75 0.665 -5.830 -7.109 1.00 0.00 H new ATOM 0 HE1 TRP A 75 -1.612 -7.095 -6.353 1.00 0.00 H new ATOM 0 HE3 TRP A 75 -2.145 -4.180 -10.876 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 -3.994 -7.725 -7.864 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 -4.485 -4.926 -11.213 1.00 0.00 H new ATOM 0 HH2 TRP A 75 -5.188 -7.007 -10.053 1.00 0.00 H new ATOM 1190 N ASN A 76 3.365 -4.117 -11.087 1.00 0.00 N ATOM 1191 CA ASN A 76 4.618 -3.718 -11.762 1.00 0.00 C ATOM 1192 C ASN A 76 5.659 -3.930 -10.663 1.00 0.00 C ATOM 1193 O ASN A 76 5.944 -2.963 -9.910 1.00 0.00 O ATOM 1194 CB ASN A 76 4.586 -2.366 -12.536 1.00 0.00 C ATOM 1195 CG ASN A 76 5.709 -2.041 -13.468 1.00 0.00 C ATOM 1196 OD1 ASN A 76 5.796 -2.981 -14.474 1.00 0.00 O flip ATOM 1197 ND2 ASN A 76 6.295 -1.005 -13.470 1.00 0.00 N flip ATOM 0 H ASN A 76 3.539 -4.878 -10.430 1.00 0.00 H new ATOM 0 HA ASN A 76 4.861 -4.313 -12.642 1.00 0.00 H new ATOM 0 HB2 ASN A 76 3.661 -2.338 -13.112 1.00 0.00 H new ATOM 0 HB3 ASN A 76 4.527 -1.565 -11.799 1.00 0.00 H new ATOM 0 HD21 ASN A 76 6.184 -0.355 -12.692 1.00 0.00 H new ATOM 0 HD22 ASN A 76 6.908 -0.767 -14.250 1.00 0.00 H new ATOM 1204 N VAL A 77 6.242 -5.166 -10.467 1.00 0.00 N ATOM 1205 CA VAL A 77 7.161 -5.424 -9.331 1.00 0.00 C ATOM 1206 C VAL A 77 7.935 -6.853 -9.519 1.00 0.00 C ATOM 1207 O VAL A 77 7.700 -7.843 -8.805 1.00 0.00 O ATOM 1208 CB VAL A 77 6.371 -5.528 -7.945 1.00 0.00 C ATOM 1209 CG1 VAL A 77 7.304 -5.501 -6.730 1.00 0.00 C ATOM 1210 CG2 VAL A 77 5.219 -4.538 -7.554 1.00 0.00 C ATOM 0 H VAL A 77 6.087 -5.971 -11.074 1.00 0.00 H new ATOM 0 HA VAL A 77 7.861 -4.588 -9.316 1.00 0.00 H new ATOM 0 HB VAL A 77 5.882 -6.474 -8.177 1.00 0.00 H new ATOM 0 HG11 VAL A 77 6.714 -5.575 -5.816 1.00 0.00 H new ATOM 0 HG12 VAL A 77 7.996 -6.342 -6.784 1.00 0.00 H new ATOM 0 HG13 VAL A 77 7.867 -4.568 -6.724 1.00 0.00 H new ATOM 0 HG21 VAL A 77 4.831 -4.802 -6.570 1.00 0.00 H new ATOM 0 HG22 VAL A 77 5.607 -3.520 -7.530 1.00 0.00 H new ATOM 0 HG23 VAL A 77 4.417 -4.604 -8.290 1.00 0.00 H new ATOM 1220 N GLU A 78 9.100 -6.423 -10.017 1.00 0.00 N ATOM 1221 CA GLU A 78 10.467 -7.022 -9.726 1.00 0.00 C ATOM 1222 C GLU A 78 11.462 -5.991 -8.895 1.00 0.00 C ATOM 1223 O GLU A 78 12.634 -6.071 -9.164 1.00 0.00 O ATOM 1224 CB GLU A 78 10.977 -7.687 -11.009 1.00 0.00 C ATOM 1225 CG GLU A 78 11.256 -7.007 -12.411 1.00 0.00 C ATOM 1226 CD GLU A 78 12.031 -7.638 -13.579 1.00 0.00 C ATOM 1227 OE1 GLU A 78 12.315 -8.806 -13.548 1.00 0.00 O ATOM 1228 OE2 GLU A 78 12.445 -6.743 -14.569 1.00 0.00 O ATOM 0 H GLU A 78 9.151 -5.628 -10.654 1.00 0.00 H new ATOM 0 HA GLU A 78 10.419 -7.830 -8.995 1.00 0.00 H new ATOM 0 HB2 GLU A 78 11.918 -8.161 -10.730 1.00 0.00 H new ATOM 0 HB3 GLU A 78 10.267 -8.487 -11.217 1.00 0.00 H new ATOM 0 HG2 GLU A 78 10.277 -6.747 -12.813 1.00 0.00 H new ATOM 0 HG3 GLU A 78 11.768 -6.071 -12.188 1.00 0.00 H new ATOM 1236 N ALA A 79 10.975 -5.350 -7.926 1.00 0.00 N ATOM 1237 CA ALA A 79 11.709 -4.230 -7.241 1.00 0.00 C ATOM 1238 C ALA A 79 11.241 -4.075 -5.703 1.00 0.00 C ATOM 1239 O ALA A 79 10.171 -3.658 -5.307 1.00 0.00 O ATOM 1240 CB ALA A 79 11.706 -2.969 -8.076 1.00 0.00 C ATOM 0 H ALA A 79 10.052 -5.540 -7.534 1.00 0.00 H new ATOM 0 HA ALA A 79 12.767 -4.481 -7.166 1.00 0.00 H new ATOM 0 HB1 ALA A 79 12.245 -2.182 -7.549 1.00 0.00 H new ATOM 0 HB2 ALA A 79 12.192 -3.164 -9.032 1.00 0.00 H new ATOM 0 HB3 ALA A 79 10.678 -2.650 -8.250 1.00 0.00 H new ATOM 1246 N MET A 80 12.251 -4.367 -4.821 1.00 0.00 N ATOM 1247 CA MET A 80 12.150 -4.225 -3.313 1.00 0.00 C ATOM 1248 C MET A 80 12.422 -2.742 -2.918 1.00 0.00 C ATOM 1249 O MET A 80 13.664 -2.444 -2.891 1.00 0.00 O ATOM 1250 CB MET A 80 12.797 -5.360 -2.533 1.00 0.00 C ATOM 1251 CG MET A 80 11.962 -6.643 -2.568 1.00 0.00 C ATOM 1252 SD MET A 80 10.298 -6.352 -1.947 1.00 0.00 S ATOM 1253 CE MET A 80 9.190 -6.288 -3.343 1.00 0.00 C ATOM 0 H MET A 80 13.162 -4.708 -5.128 1.00 0.00 H new ATOM 0 HA MET A 80 11.131 -4.396 -2.965 1.00 0.00 H new ATOM 0 HB2 MET A 80 13.786 -5.562 -2.944 1.00 0.00 H new ATOM 0 HB3 MET A 80 12.939 -5.051 -1.498 1.00 0.00 H new ATOM 0 HG2 MET A 80 11.911 -7.020 -3.590 1.00 0.00 H new ATOM 0 HG3 MET A 80 12.448 -7.413 -1.968 1.00 0.00 H new ATOM 0 HE1 MET A 80 8.195 -6.607 -3.033 1.00 0.00 H new ATOM 0 HE2 MET A 80 9.142 -5.267 -3.723 1.00 0.00 H new ATOM 0 HE3 MET A 80 9.555 -6.950 -4.128 1.00 0.00 H new ATOM 1263 N PRO A 81 11.569 -1.757 -2.497 1.00 0.00 N ATOM 1264 CA PRO A 81 10.134 -2.099 -2.402 1.00 0.00 C ATOM 1265 C PRO A 81 9.103 -0.903 -2.598 1.00 0.00 C ATOM 1266 O PRO A 81 9.197 0.343 -2.271 1.00 0.00 O ATOM 1267 CB PRO A 81 10.062 -2.493 -0.882 1.00 0.00 C ATOM 1268 CG PRO A 81 11.007 -1.523 -0.128 1.00 0.00 C ATOM 1269 CD PRO A 81 11.914 -0.986 -1.283 1.00 0.00 C ATOM 0 HA PRO A 81 9.861 -2.821 -3.171 1.00 0.00 H new ATOM 0 HB2 PRO A 81 9.042 -2.409 -0.508 1.00 0.00 H new ATOM 0 HB3 PRO A 81 10.371 -3.528 -0.735 1.00 0.00 H new ATOM 0 HG2 PRO A 81 10.458 -0.721 0.366 1.00 0.00 H new ATOM 0 HG3 PRO A 81 11.586 -2.034 0.641 1.00 0.00 H new ATOM 0 HD2 PRO A 81 11.746 0.079 -1.442 1.00 0.00 H new ATOM 0 HD3 PRO A 81 12.968 -1.109 -1.035 1.00 0.00 H new ATOM 1277 N THR A 82 8.023 -1.443 -3.067 1.00 0.00 N ATOM 1278 CA THR A 82 7.011 -0.924 -4.005 1.00 0.00 C ATOM 1279 C THR A 82 5.725 -0.622 -3.128 1.00 0.00 C ATOM 1280 O THR A 82 5.369 -1.365 -2.207 1.00 0.00 O ATOM 1281 CB THR A 82 6.664 -1.715 -5.217 1.00 0.00 C ATOM 1282 OG1 THR A 82 7.815 -2.303 -5.917 1.00 0.00 O ATOM 1283 CG2 THR A 82 6.067 -0.970 -6.470 1.00 0.00 C ATOM 0 H THR A 82 7.774 -2.388 -2.776 1.00 0.00 H new ATOM 0 HA THR A 82 7.462 -0.051 -4.477 1.00 0.00 H new ATOM 0 HB THR A 82 5.963 -2.380 -4.714 1.00 0.00 H new ATOM 0 HG1 THR A 82 8.440 -2.678 -5.262 1.00 0.00 H new ATOM 0 HG21 THR A 82 5.871 -1.692 -7.263 1.00 0.00 H new ATOM 0 HG22 THR A 82 5.136 -0.476 -6.190 1.00 0.00 H new ATOM 0 HG23 THR A 82 6.780 -0.226 -6.825 1.00 0.00 H new ATOM 1291 N PHE A 83 5.199 0.584 -3.467 1.00 0.00 N ATOM 1292 CA PHE A 83 3.976 1.247 -3.008 1.00 0.00 C ATOM 1293 C PHE A 83 3.264 1.577 -4.325 1.00 0.00 C ATOM 1294 O PHE A 83 3.774 2.228 -5.202 1.00 0.00 O ATOM 1295 CB PHE A 83 4.182 2.535 -2.191 1.00 0.00 C ATOM 1296 CG PHE A 83 4.777 2.366 -0.705 1.00 0.00 C ATOM 1297 CD1 PHE A 83 4.006 1.923 0.373 1.00 0.00 C ATOM 1298 CD2 PHE A 83 6.164 2.636 -0.550 1.00 0.00 C ATOM 1299 CE1 PHE A 83 4.589 1.866 1.659 1.00 0.00 C ATOM 1300 CE2 PHE A 83 6.703 2.573 0.684 1.00 0.00 C ATOM 1301 CZ PHE A 83 5.970 2.151 1.759 1.00 0.00 C ATOM 0 H PHE A 83 5.686 1.171 -4.145 1.00 0.00 H new ATOM 0 HA PHE A 83 3.433 0.602 -2.317 1.00 0.00 H new ATOM 0 HB2 PHE A 83 4.850 3.189 -2.752 1.00 0.00 H new ATOM 0 HB3 PHE A 83 3.223 3.047 -2.116 1.00 0.00 H new ATOM 0 HD1 PHE A 83 2.978 1.628 0.225 1.00 0.00 H new ATOM 0 HD2 PHE A 83 6.775 2.887 -1.405 1.00 0.00 H new ATOM 0 HE1 PHE A 83 4.003 1.615 2.531 1.00 0.00 H new ATOM 0 HE2 PHE A 83 7.734 2.861 0.827 1.00 0.00 H new ATOM 0 HZ PHE A 83 6.461 2.032 2.713 1.00 0.00 H new ATOM 1311 N ILE A 84 1.947 1.274 -4.325 1.00 0.00 N ATOM 1312 CA ILE A 84 0.985 1.326 -5.387 1.00 0.00 C ATOM 1313 C ILE A 84 -0.337 1.974 -4.797 1.00 0.00 C ATOM 1314 O ILE A 84 -1.111 1.477 -3.959 1.00 0.00 O ATOM 1315 CB ILE A 84 0.964 -0.133 -6.054 1.00 0.00 C ATOM 1316 CG1 ILE A 84 2.193 -0.316 -6.957 1.00 0.00 C ATOM 1317 CG2 ILE A 84 -0.396 -0.608 -6.696 1.00 0.00 C ATOM 1318 CD1 ILE A 84 2.823 -1.667 -7.193 1.00 0.00 C ATOM 0 H ILE A 84 1.506 0.951 -3.464 1.00 0.00 H new ATOM 0 HA ILE A 84 1.198 1.979 -6.234 1.00 0.00 H new ATOM 0 HB ILE A 84 1.034 -0.835 -5.223 1.00 0.00 H new ATOM 0 HG12 ILE A 84 1.924 0.080 -7.936 1.00 0.00 H new ATOM 0 HG13 ILE A 84 2.975 0.329 -6.556 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -0.273 -1.609 -7.110 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -1.173 -0.625 -5.932 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -0.683 0.081 -7.490 1.00 0.00 H new ATOM 0 HD11 ILE A 84 3.676 -1.559 -7.862 1.00 0.00 H new ATOM 0 HD12 ILE A 84 3.158 -2.083 -6.243 1.00 0.00 H new ATOM 0 HD13 ILE A 84 2.090 -2.336 -7.644 1.00 0.00 H new ATOM 1330 N PHE A 85 -0.645 2.972 -5.513 1.00 0.00 N ATOM 1331 CA PHE A 85 -1.727 3.918 -5.277 1.00 0.00 C ATOM 1332 C PHE A 85 -2.870 3.504 -6.356 1.00 0.00 C ATOM 1333 O PHE A 85 -2.798 3.620 -7.614 1.00 0.00 O ATOM 1334 CB PHE A 85 -1.298 5.408 -5.476 1.00 0.00 C ATOM 1335 CG PHE A 85 -0.426 6.012 -4.339 1.00 0.00 C ATOM 1336 CD1 PHE A 85 0.942 5.652 -4.138 1.00 0.00 C ATOM 1337 CD2 PHE A 85 -1.042 6.878 -3.485 1.00 0.00 C ATOM 1338 CE1 PHE A 85 1.588 6.136 -3.045 1.00 0.00 C ATOM 1339 CE2 PHE A 85 -0.362 7.318 -2.336 1.00 0.00 C ATOM 1340 CZ PHE A 85 0.977 6.948 -2.136 1.00 0.00 C ATOM 0 H PHE A 85 -0.122 3.196 -6.360 1.00 0.00 H new ATOM 0 HA PHE A 85 -2.068 3.865 -4.243 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -0.747 5.487 -6.413 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -2.197 6.015 -5.582 1.00 0.00 H new ATOM 0 HD1 PHE A 85 1.452 5.009 -4.840 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -2.045 7.223 -3.690 1.00 0.00 H new ATOM 0 HE1 PHE A 85 2.623 5.868 -2.891 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -0.868 7.938 -1.610 1.00 0.00 H new ATOM 0 HZ PHE A 85 1.518 7.303 -1.271 1.00 0.00 H new ATOM 1350 N LEU A 86 -3.880 2.916 -5.759 1.00 0.00 N ATOM 1351 CA LEU A 86 -5.076 2.372 -6.335 1.00 0.00 C ATOM 1352 C LEU A 86 -6.189 3.019 -5.415 1.00 0.00 C ATOM 1353 O LEU A 86 -6.124 3.192 -4.213 1.00 0.00 O ATOM 1354 CB LEU A 86 -4.974 0.828 -6.012 1.00 0.00 C ATOM 1355 CG LEU A 86 -5.793 -0.143 -6.829 1.00 0.00 C ATOM 1356 CD1 LEU A 86 -7.253 0.334 -7.229 1.00 0.00 C ATOM 1357 CD2 LEU A 86 -5.103 -0.699 -8.098 1.00 0.00 C ATOM 0 H LEU A 86 -3.877 2.797 -4.746 1.00 0.00 H new ATOM 0 HA LEU A 86 -5.250 2.541 -7.398 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -3.927 0.539 -6.108 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -5.247 0.691 -4.966 1.00 0.00 H new ATOM 0 HG LEU A 86 -5.887 -0.947 -6.099 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -7.743 -0.445 -7.813 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -7.832 0.530 -6.326 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -7.188 1.246 -7.823 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -5.779 -1.385 -8.608 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -4.850 0.125 -8.765 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -4.193 -1.229 -7.815 1.00 0.00 H new ATOM 1369 N LYS A 87 -7.125 3.521 -6.178 1.00 0.00 N ATOM 1370 CA LYS A 87 -8.221 4.360 -5.697 1.00 0.00 C ATOM 1371 C LYS A 87 -9.550 3.855 -6.440 1.00 0.00 C ATOM 1372 O LYS A 87 -9.554 2.878 -7.247 1.00 0.00 O ATOM 1373 CB LYS A 87 -7.919 5.822 -6.118 1.00 0.00 C ATOM 1374 CG LYS A 87 -8.684 7.013 -5.369 1.00 0.00 C ATOM 1375 CD LYS A 87 -8.294 8.465 -5.829 1.00 0.00 C ATOM 1376 CE LYS A 87 -9.382 9.555 -5.499 1.00 0.00 C ATOM 1377 NZ LYS A 87 -9.003 10.818 -6.050 1.00 0.00 N ATOM 0 H LYS A 87 -7.157 3.359 -7.185 1.00 0.00 H new ATOM 0 HA LYS A 87 -8.339 4.305 -4.615 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -6.849 5.987 -5.994 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -8.133 5.910 -7.183 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -9.756 6.881 -5.514 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -8.494 6.927 -4.299 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -7.356 8.747 -5.351 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -8.115 8.459 -6.904 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -10.347 9.249 -5.903 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -9.502 9.643 -4.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -9.730 11.527 -5.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -8.092 11.114 -5.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -8.911 10.733 -7.082 1.00 0.00 H new ATOM 1390 N ASP A 88 -10.709 4.513 -6.146 1.00 0.00 N ATOM 1391 CA ASP A 88 -11.887 4.517 -7.036 1.00 0.00 C ATOM 1392 C ASP A 88 -11.687 5.058 -8.517 1.00 0.00 C ATOM 1393 O ASP A 88 -12.526 5.872 -8.945 1.00 0.00 O ATOM 1394 CB ASP A 88 -13.010 5.214 -6.236 1.00 0.00 C ATOM 1395 CG ASP A 88 -12.726 6.743 -5.889 1.00 0.00 C ATOM 1396 OD1 ASP A 88 -12.819 7.601 -6.707 1.00 0.00 O ATOM 1397 OD2 ASP A 88 -12.294 6.920 -4.585 1.00 0.00 O ATOM 0 H ASP A 88 -10.843 5.049 -5.289 1.00 0.00 H new ATOM 0 HA ASP A 88 -12.144 3.487 -7.283 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -13.937 5.150 -6.806 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -13.169 4.667 -5.306 1.00 0.00 H new ATOM 1403 N GLY A 89 -10.755 4.619 -9.317 1.00 0.00 N ATOM 1404 CA GLY A 89 -10.523 4.827 -10.747 1.00 0.00 C ATOM 1405 C GLY A 89 -9.290 4.037 -11.232 1.00 0.00 C ATOM 1406 O GLY A 89 -8.360 4.488 -11.968 1.00 0.00 O ATOM 0 H GLY A 89 -10.026 4.016 -8.936 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -11.403 4.515 -11.310 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -10.378 5.889 -10.944 1.00 0.00 H new ATOM 1410 N LYS A 90 -9.198 2.752 -10.798 1.00 0.00 N ATOM 1411 CA LYS A 90 -8.057 1.855 -10.993 1.00 0.00 C ATOM 1412 C LYS A 90 -6.753 2.336 -10.337 1.00 0.00 C ATOM 1413 O LYS A 90 -6.783 3.146 -9.413 1.00 0.00 O ATOM 1414 CB LYS A 90 -7.958 1.347 -12.516 1.00 0.00 C ATOM 1415 CG LYS A 90 -9.251 0.697 -13.097 1.00 0.00 C ATOM 1416 CD LYS A 90 -9.091 0.149 -14.515 1.00 0.00 C ATOM 1417 CE LYS A 90 -9.103 1.350 -15.491 1.00 0.00 C ATOM 1418 NZ LYS A 90 -8.949 0.954 -16.876 1.00 0.00 N ATOM 0 H LYS A 90 -9.956 2.306 -10.282 1.00 0.00 H new ATOM 0 HA LYS A 90 -8.251 0.949 -10.418 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -7.685 2.194 -13.145 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -7.146 0.623 -12.586 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -9.565 -0.113 -12.439 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -10.050 1.438 -13.093 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -8.158 -0.408 -14.606 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -9.900 -0.543 -14.751 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -10.040 1.895 -15.377 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -8.300 2.037 -15.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -8.964 1.799 -17.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -8.043 0.458 -16.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -9.729 0.321 -17.145 1.00 0.00 H new ATOM 1431 N LEU A 91 -5.555 1.778 -10.751 1.00 0.00 N ATOM 1432 CA LEU A 91 -4.135 2.287 -10.460 1.00 0.00 C ATOM 1433 C LEU A 91 -4.018 3.737 -10.991 1.00 0.00 C ATOM 1434 O LEU A 91 -3.848 4.069 -12.167 1.00 0.00 O ATOM 1435 CB LEU A 91 -3.193 1.269 -11.171 1.00 0.00 C ATOM 1436 CG LEU A 91 -1.626 1.501 -11.169 1.00 0.00 C ATOM 1437 CD1 LEU A 91 -0.898 1.647 -9.736 1.00 0.00 C ATOM 1438 CD2 LEU A 91 -0.811 0.330 -11.892 1.00 0.00 C ATOM 0 H LEU A 91 -5.541 0.930 -11.318 1.00 0.00 H new ATOM 0 HA LEU A 91 -3.874 2.338 -9.403 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -3.376 0.292 -10.724 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -3.510 1.208 -12.212 1.00 0.00 H new ATOM 0 HG LEU A 91 -1.591 2.455 -11.695 1.00 0.00 H new ATOM 0 HD11 LEU A 91 0.171 1.801 -9.885 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -1.316 2.499 -9.200 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -1.056 0.739 -9.154 1.00 0.00 H new ATOM 0 HD21 LEU A 91 0.255 0.552 -11.855 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -1.003 -0.615 -11.383 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -1.129 0.253 -12.932 1.00 0.00 H new ATOM 1450 N VAL A 92 -4.089 4.668 -10.022 1.00 0.00 N ATOM 1451 CA VAL A 92 -3.668 6.117 -10.131 1.00 0.00 C ATOM 1452 C VAL A 92 -2.193 6.297 -10.334 1.00 0.00 C ATOM 1453 O VAL A 92 -1.804 6.935 -11.303 1.00 0.00 O ATOM 1454 CB VAL A 92 -4.505 7.101 -9.118 1.00 0.00 C ATOM 1455 CG1 VAL A 92 -5.989 7.043 -9.409 1.00 0.00 C ATOM 1456 CG2 VAL A 92 -4.273 6.833 -7.656 1.00 0.00 C ATOM 0 H VAL A 92 -4.453 4.444 -9.096 1.00 0.00 H new ATOM 0 HA VAL A 92 -4.004 6.527 -11.083 1.00 0.00 H new ATOM 0 HB VAL A 92 -4.117 8.100 -9.317 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -6.520 7.704 -8.724 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -6.171 7.362 -10.435 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -6.346 6.021 -9.278 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -4.865 7.528 -7.060 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -4.570 5.811 -7.422 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -3.216 6.966 -7.425 1.00 0.00 H new ATOM 1466 N ASP A 93 -1.276 5.749 -9.496 1.00 0.00 N ATOM 1467 CA ASP A 93 0.155 6.144 -9.482 1.00 0.00 C ATOM 1468 C ASP A 93 1.093 5.100 -8.801 1.00 0.00 C ATOM 1469 O ASP A 93 0.617 4.119 -8.165 1.00 0.00 O ATOM 1470 CB ASP A 93 0.138 7.515 -8.653 1.00 0.00 C ATOM 1471 CG ASP A 93 1.402 8.362 -8.757 1.00 0.00 C ATOM 1472 OD1 ASP A 93 1.790 9.053 -9.716 1.00 0.00 O ATOM 1473 OD2 ASP A 93 2.227 8.122 -7.679 1.00 0.00 O ATOM 0 H ASP A 93 -1.507 5.025 -8.815 1.00 0.00 H new ATOM 0 HA ASP A 93 0.554 6.229 -10.493 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -0.708 8.113 -8.992 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -0.037 7.282 -7.603 1.00 0.00 H new ATOM 1479 N LYS A 94 2.421 5.389 -8.776 1.00 0.00 N ATOM 1480 CA LYS A 94 3.499 4.437 -8.411 1.00 0.00 C ATOM 1481 C LYS A 94 4.812 5.082 -7.823 1.00 0.00 C ATOM 1482 O LYS A 94 5.461 5.921 -8.449 1.00 0.00 O ATOM 1483 CB LYS A 94 3.778 3.404 -9.523 1.00 0.00 C ATOM 1484 CG LYS A 94 4.288 3.776 -10.934 1.00 0.00 C ATOM 1485 CD LYS A 94 3.292 4.371 -11.968 1.00 0.00 C ATOM 1486 CE LYS A 94 2.050 3.521 -12.191 1.00 0.00 C ATOM 1487 NZ LYS A 94 1.282 3.900 -13.362 1.00 0.00 N ATOM 0 H LYS A 94 2.778 6.314 -9.015 1.00 0.00 H new ATOM 0 HA LYS A 94 3.088 3.891 -7.562 1.00 0.00 H new ATOM 0 HB2 LYS A 94 4.503 2.701 -9.112 1.00 0.00 H new ATOM 0 HB3 LYS A 94 2.848 2.854 -9.669 1.00 0.00 H new ATOM 0 HG2 LYS A 94 5.100 4.493 -10.811 1.00 0.00 H new ATOM 0 HG3 LYS A 94 4.720 2.877 -11.374 1.00 0.00 H new ATOM 0 HD2 LYS A 94 2.986 5.362 -11.634 1.00 0.00 H new ATOM 0 HD3 LYS A 94 3.807 4.501 -12.920 1.00 0.00 H new ATOM 0 HE2 LYS A 94 2.348 2.477 -12.286 1.00 0.00 H new ATOM 0 HE3 LYS A 94 1.411 3.591 -11.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 0.453 3.279 -13.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 0.967 4.886 -13.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 1.875 3.807 -14.211 1.00 0.00 H new ATOM 1500 N THR A 95 5.360 4.410 -6.778 1.00 0.00 N ATOM 1501 CA THR A 95 6.575 4.848 -6.032 1.00 0.00 C ATOM 1502 C THR A 95 7.237 3.548 -5.320 1.00 0.00 C ATOM 1503 O THR A 95 6.572 2.783 -4.632 1.00 0.00 O ATOM 1504 CB THR A 95 6.263 5.972 -4.997 1.00 0.00 C ATOM 1505 OG1 THR A 95 6.010 7.233 -5.560 1.00 0.00 O ATOM 1506 CG2 THR A 95 7.319 6.213 -3.937 1.00 0.00 C ATOM 0 H THR A 95 4.968 3.538 -6.423 1.00 0.00 H new ATOM 0 HA THR A 95 7.284 5.285 -6.735 1.00 0.00 H new ATOM 0 HB THR A 95 5.367 5.551 -4.540 1.00 0.00 H new ATOM 0 HG1 THR A 95 6.431 7.927 -5.011 1.00 0.00 H new ATOM 0 HG21 THR A 95 6.993 7.015 -3.275 1.00 0.00 H new ATOM 0 HG22 THR A 95 7.467 5.302 -3.357 1.00 0.00 H new ATOM 0 HG23 THR A 95 8.257 6.495 -4.415 1.00 0.00 H new ATOM 1514 N VAL A 96 8.522 3.533 -5.541 1.00 0.00 N ATOM 1515 CA VAL A 96 9.455 2.434 -5.134 1.00 0.00 C ATOM 1516 C VAL A 96 10.726 3.130 -4.449 1.00 0.00 C ATOM 1517 O VAL A 96 11.589 3.597 -5.198 1.00 0.00 O ATOM 1518 CB VAL A 96 9.630 1.435 -6.303 1.00 0.00 C ATOM 1519 CG1 VAL A 96 9.904 2.010 -7.677 1.00 0.00 C ATOM 1520 CG2 VAL A 96 10.487 0.206 -5.878 1.00 0.00 C ATOM 0 H VAL A 96 8.998 4.295 -6.023 1.00 0.00 H new ATOM 0 HA VAL A 96 9.089 1.760 -4.360 1.00 0.00 H new ATOM 0 HB VAL A 96 8.628 1.052 -6.499 1.00 0.00 H new ATOM 0 HG11 VAL A 96 10.004 1.198 -8.398 1.00 0.00 H new ATOM 0 HG12 VAL A 96 9.078 2.657 -7.972 1.00 0.00 H new ATOM 0 HG13 VAL A 96 10.827 2.589 -7.652 1.00 0.00 H new ATOM 0 HG21 VAL A 96 10.590 -0.475 -6.723 1.00 0.00 H new ATOM 0 HG22 VAL A 96 11.474 0.543 -5.561 1.00 0.00 H new ATOM 0 HG23 VAL A 96 9.998 -0.311 -5.053 1.00 0.00 H new ATOM 1530 N GLY A 97 10.672 3.041 -3.134 1.00 0.00 N ATOM 1531 CA GLY A 97 11.824 3.271 -2.276 1.00 0.00 C ATOM 1532 C GLY A 97 11.523 3.608 -0.849 1.00 0.00 C ATOM 1533 O GLY A 97 11.194 4.837 -0.644 1.00 0.00 O ATOM 0 H GLY A 97 9.821 2.805 -2.624 1.00 0.00 H new ATOM 0 HA2 GLY A 97 12.449 2.378 -2.294 1.00 0.00 H new ATOM 0 HA3 GLY A 97 12.414 4.082 -2.703 1.00 0.00 H new ATOM 1537 N ALA A 98 11.376 2.617 0.050 1.00 0.00 N ATOM 1538 CA ALA A 98 11.123 2.957 1.444 1.00 0.00 C ATOM 1539 C ALA A 98 12.027 4.019 2.094 1.00 0.00 C ATOM 1540 O ALA A 98 13.259 3.846 2.265 1.00 0.00 O ATOM 1541 CB ALA A 98 11.258 1.544 2.185 1.00 0.00 C ATOM 0 H ALA A 98 11.427 1.620 -0.159 1.00 0.00 H new ATOM 0 HA ALA A 98 10.152 3.446 1.526 1.00 0.00 H new ATOM 0 HB1 ALA A 98 11.086 1.675 3.253 1.00 0.00 H new ATOM 0 HB2 ALA A 98 10.521 0.850 1.782 1.00 0.00 H new ATOM 0 HB3 ALA A 98 12.259 1.144 2.025 1.00 0.00 H new ATOM 1547 N ASP A 99 11.358 5.052 2.589 1.00 0.00 N ATOM 1548 CA ASP A 99 12.053 6.261 3.118 1.00 0.00 C ATOM 1549 C ASP A 99 11.019 6.961 4.030 1.00 0.00 C ATOM 1550 O ASP A 99 9.925 7.384 3.608 1.00 0.00 O ATOM 1551 CB ASP A 99 12.559 7.158 1.880 1.00 0.00 C ATOM 1552 CG ASP A 99 13.406 8.383 2.198 1.00 0.00 C ATOM 1553 OD1 ASP A 99 14.507 8.618 1.681 1.00 0.00 O ATOM 1554 OD2 ASP A 99 12.814 9.251 3.183 1.00 0.00 O ATOM 0 H ASP A 99 10.340 5.096 2.644 1.00 0.00 H new ATOM 0 HA ASP A 99 12.948 6.044 3.700 1.00 0.00 H new ATOM 0 HB2 ASP A 99 13.134 6.516 1.212 1.00 0.00 H new ATOM 0 HB3 ASP A 99 11.682 7.491 1.325 1.00 0.00 H new ATOM 1560 N LYS A 100 11.569 7.218 5.235 1.00 0.00 N ATOM 1561 CA LYS A 100 10.810 7.841 6.269 1.00 0.00 C ATOM 1562 C LYS A 100 9.780 9.033 5.969 1.00 0.00 C ATOM 1563 O LYS A 100 8.627 9.073 6.389 1.00 0.00 O ATOM 1564 CB LYS A 100 11.719 8.159 7.500 1.00 0.00 C ATOM 1565 CG LYS A 100 12.824 9.146 7.501 1.00 0.00 C ATOM 1566 CD LYS A 100 13.905 8.997 6.352 1.00 0.00 C ATOM 1567 CE LYS A 100 15.051 10.072 6.077 1.00 0.00 C ATOM 1568 NZ LYS A 100 15.893 9.436 5.042 1.00 0.00 N ATOM 0 H LYS A 100 12.532 6.995 5.487 1.00 0.00 H new ATOM 0 HA LYS A 100 10.081 7.053 6.461 1.00 0.00 H new ATOM 0 HB2 LYS A 100 11.045 8.462 8.301 1.00 0.00 H new ATOM 0 HB3 LYS A 100 12.164 7.210 7.799 1.00 0.00 H new ATOM 0 HG2 LYS A 100 12.390 10.144 7.434 1.00 0.00 H new ATOM 0 HG3 LYS A 100 13.336 9.084 8.461 1.00 0.00 H new ATOM 0 HD2 LYS A 100 14.411 8.047 6.528 1.00 0.00 H new ATOM 0 HD3 LYS A 100 13.350 8.895 5.420 1.00 0.00 H new ATOM 0 HE2 LYS A 100 14.636 11.018 5.729 1.00 0.00 H new ATOM 0 HE3 LYS A 100 15.622 10.287 6.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 16.678 10.071 4.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 16.275 8.540 5.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 15.319 9.248 4.195 1.00 0.00 H new ATOM 1581 N ASP A 101 10.370 10.067 5.373 1.00 0.00 N ATOM 1582 CA ASP A 101 9.715 11.261 4.785 1.00 0.00 C ATOM 1583 C ASP A 101 8.941 11.044 3.372 1.00 0.00 C ATOM 1584 O ASP A 101 7.803 11.522 3.259 1.00 0.00 O ATOM 1585 CB ASP A 101 10.545 12.549 4.711 1.00 0.00 C ATOM 1586 CG ASP A 101 11.681 12.652 3.692 1.00 0.00 C ATOM 1587 OD1 ASP A 101 12.643 11.935 3.776 1.00 0.00 O ATOM 1588 OD2 ASP A 101 11.508 13.570 2.715 1.00 0.00 O ATOM 0 H ASP A 101 11.384 10.108 5.275 1.00 0.00 H new ATOM 0 HA ASP A 101 8.962 11.408 5.559 1.00 0.00 H new ATOM 0 HB2 ASP A 101 9.856 13.371 4.517 1.00 0.00 H new ATOM 0 HB3 ASP A 101 10.975 12.719 5.698 1.00 0.00 H new ATOM 1594 N GLY A 102 9.486 10.418 2.384 1.00 0.00 N ATOM 1595 CA GLY A 102 8.910 10.070 1.102 1.00 0.00 C ATOM 1596 C GLY A 102 7.441 9.659 1.033 1.00 0.00 C ATOM 1597 O GLY A 102 6.657 10.359 0.429 1.00 0.00 O ATOM 0 H GLY A 102 10.452 10.097 2.450 1.00 0.00 H new ATOM 0 HA2 GLY A 102 9.043 10.925 0.439 1.00 0.00 H new ATOM 0 HA3 GLY A 102 9.500 9.252 0.689 1.00 0.00 H new ATOM 1601 N LEU A 103 7.110 8.530 1.670 1.00 0.00 N ATOM 1602 CA LEU A 103 5.702 8.111 1.963 1.00 0.00 C ATOM 1603 C LEU A 103 4.729 9.171 2.606 1.00 0.00 C ATOM 1604 O LEU A 103 3.768 9.496 1.887 1.00 0.00 O ATOM 1605 CB LEU A 103 5.926 6.822 2.790 1.00 0.00 C ATOM 1606 CG LEU A 103 4.756 6.014 3.302 1.00 0.00 C ATOM 1607 CD1 LEU A 103 3.754 5.739 2.164 1.00 0.00 C ATOM 1608 CD2 LEU A 103 5.181 4.788 4.085 1.00 0.00 C ATOM 0 H LEU A 103 7.806 7.864 2.006 1.00 0.00 H new ATOM 0 HA LEU A 103 5.129 7.964 1.047 1.00 0.00 H new ATOM 0 HB2 LEU A 103 6.534 6.153 2.181 1.00 0.00 H new ATOM 0 HB3 LEU A 103 6.527 7.099 3.656 1.00 0.00 H new ATOM 0 HG LEU A 103 4.223 6.611 4.042 1.00 0.00 H new ATOM 0 HD11 LEU A 103 2.917 5.156 2.549 1.00 0.00 H new ATOM 0 HD12 LEU A 103 3.385 6.685 1.767 1.00 0.00 H new ATOM 0 HD13 LEU A 103 4.250 5.181 1.370 1.00 0.00 H new ATOM 0 HD21 LEU A 103 4.297 4.249 4.426 1.00 0.00 H new ATOM 0 HD22 LEU A 103 5.778 4.137 3.446 1.00 0.00 H new ATOM 0 HD23 LEU A 103 5.774 5.094 4.947 1.00 0.00 H new ATOM 1620 N PRO A 104 4.936 9.800 3.834 1.00 0.00 N ATOM 1621 CA PRO A 104 4.148 10.971 4.287 1.00 0.00 C ATOM 1622 C PRO A 104 3.870 12.139 3.288 1.00 0.00 C ATOM 1623 O PRO A 104 2.746 12.580 3.212 1.00 0.00 O ATOM 1624 CB PRO A 104 4.879 11.352 5.619 1.00 0.00 C ATOM 1625 CG PRO A 104 5.444 10.061 6.136 1.00 0.00 C ATOM 1626 CD PRO A 104 5.917 9.338 4.845 1.00 0.00 C ATOM 0 HA PRO A 104 3.096 10.713 4.409 1.00 0.00 H new ATOM 0 HB2 PRO A 104 5.667 12.084 5.441 1.00 0.00 H new ATOM 0 HB3 PRO A 104 4.188 11.795 6.336 1.00 0.00 H new ATOM 0 HG2 PRO A 104 6.269 10.231 6.828 1.00 0.00 H new ATOM 0 HG3 PRO A 104 4.694 9.479 6.672 1.00 0.00 H new ATOM 0 HD2 PRO A 104 6.936 9.615 4.576 1.00 0.00 H new ATOM 0 HD3 PRO A 104 5.901 8.254 4.959 1.00 0.00 H new ATOM 1634 N THR A 105 4.934 12.641 2.626 1.00 0.00 N ATOM 1635 CA THR A 105 4.859 13.662 1.485 1.00 0.00 C ATOM 1636 C THR A 105 3.958 13.402 0.255 1.00 0.00 C ATOM 1637 O THR A 105 3.256 14.284 -0.202 1.00 0.00 O ATOM 1638 CB THR A 105 6.317 14.230 1.176 1.00 0.00 C ATOM 1639 OG1 THR A 105 6.976 14.502 2.447 1.00 0.00 O ATOM 1640 CG2 THR A 105 6.224 15.550 0.349 1.00 0.00 C ATOM 0 H THR A 105 5.891 12.366 2.848 1.00 0.00 H new ATOM 0 HA THR A 105 4.229 14.454 1.890 1.00 0.00 H new ATOM 0 HB THR A 105 6.881 13.499 0.597 1.00 0.00 H new ATOM 0 HG1 THR A 105 7.378 13.677 2.790 1.00 0.00 H new ATOM 0 HG21 THR A 105 7.228 15.924 0.147 1.00 0.00 H new ATOM 0 HG22 THR A 105 5.713 15.354 -0.594 1.00 0.00 H new ATOM 0 HG23 THR A 105 5.666 16.296 0.915 1.00 0.00 H new ATOM 1648 N LEU A 106 4.164 12.236 -0.386 1.00 0.00 N ATOM 1649 CA LEU A 106 3.383 11.652 -1.528 1.00 0.00 C ATOM 1650 C LEU A 106 1.868 11.376 -1.162 1.00 0.00 C ATOM 1651 O LEU A 106 0.953 11.822 -1.883 1.00 0.00 O ATOM 1652 CB LEU A 106 4.154 10.393 -1.985 1.00 0.00 C ATOM 1653 CG LEU A 106 3.520 9.464 -3.057 1.00 0.00 C ATOM 1654 CD1 LEU A 106 3.453 10.086 -4.499 1.00 0.00 C ATOM 1655 CD2 LEU A 106 4.073 8.062 -2.984 1.00 0.00 C ATOM 0 H LEU A 106 4.931 11.623 -0.111 1.00 0.00 H new ATOM 0 HA LEU A 106 3.310 12.362 -2.352 1.00 0.00 H new ATOM 0 HB2 LEU A 106 5.121 10.721 -2.366 1.00 0.00 H new ATOM 0 HB3 LEU A 106 4.348 9.788 -1.100 1.00 0.00 H new ATOM 0 HG LEU A 106 2.465 9.371 -2.799 1.00 0.00 H new ATOM 0 HD11 LEU A 106 2.997 9.370 -5.183 1.00 0.00 H new ATOM 0 HD12 LEU A 106 2.855 10.997 -4.475 1.00 0.00 H new ATOM 0 HD13 LEU A 106 4.461 10.323 -4.840 1.00 0.00 H new ATOM 0 HD21 LEU A 106 3.603 7.445 -3.750 1.00 0.00 H new ATOM 0 HD22 LEU A 106 5.150 8.087 -3.148 1.00 0.00 H new ATOM 0 HD23 LEU A 106 3.865 7.640 -2.001 1.00 0.00 H new ATOM 1667 N VAL A 107 1.603 10.717 -0.019 1.00 0.00 N ATOM 1668 CA VAL A 107 0.212 10.556 0.608 1.00 0.00 C ATOM 1669 C VAL A 107 -0.543 11.899 0.953 1.00 0.00 C ATOM 1670 O VAL A 107 -1.739 11.924 0.728 1.00 0.00 O ATOM 1671 CB VAL A 107 0.224 9.589 1.802 1.00 0.00 C ATOM 1672 CG1 VAL A 107 -1.161 9.421 2.498 1.00 0.00 C ATOM 1673 CG2 VAL A 107 0.546 8.113 1.331 1.00 0.00 C ATOM 0 H VAL A 107 2.336 10.264 0.527 1.00 0.00 H new ATOM 0 HA VAL A 107 -0.382 10.112 -0.191 1.00 0.00 H new ATOM 0 HB VAL A 107 0.963 10.028 2.472 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -1.068 8.723 3.330 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -1.500 10.387 2.871 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -1.885 9.035 1.780 1.00 0.00 H new ATOM 0 HG21 VAL A 107 0.549 7.448 2.195 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -0.213 7.784 0.622 1.00 0.00 H new ATOM 0 HG23 VAL A 107 1.525 8.089 0.852 1.00 0.00 H new ATOM 1683 N ALA A 108 0.161 12.910 1.418 1.00 0.00 N ATOM 1684 CA ALA A 108 -0.317 14.275 1.396 1.00 0.00 C ATOM 1685 C ALA A 108 -0.651 14.817 0.009 1.00 0.00 C ATOM 1686 O ALA A 108 -1.735 15.362 -0.150 1.00 0.00 O ATOM 1687 CB ALA A 108 0.709 15.215 1.989 1.00 0.00 C ATOM 0 H ALA A 108 1.090 12.805 1.826 1.00 0.00 H new ATOM 0 HA ALA A 108 -1.237 14.237 1.980 1.00 0.00 H new ATOM 0 HB1 ALA A 108 0.327 16.235 1.961 1.00 0.00 H new ATOM 0 HB2 ALA A 108 0.909 14.930 3.022 1.00 0.00 H new ATOM 0 HB3 ALA A 108 1.632 15.158 1.412 1.00 0.00 H new ATOM 1693 N LYS A 109 0.304 14.791 -0.939 1.00 0.00 N ATOM 1694 CA LYS A 109 0.047 15.084 -2.339 1.00 0.00 C ATOM 1695 C LYS A 109 -1.163 14.375 -3.042 1.00 0.00 C ATOM 1696 O LYS A 109 -1.969 15.062 -3.730 1.00 0.00 O ATOM 1697 CB LYS A 109 1.311 15.020 -3.288 1.00 0.00 C ATOM 1698 CG LYS A 109 2.435 16.002 -2.945 1.00 0.00 C ATOM 1699 CD LYS A 109 3.498 16.048 -4.045 1.00 0.00 C ATOM 1700 CE LYS A 109 4.507 17.151 -3.841 1.00 0.00 C ATOM 1701 NZ LYS A 109 5.816 16.738 -4.349 1.00 0.00 N ATOM 0 H LYS A 109 1.278 14.563 -0.742 1.00 0.00 H new ATOM 0 HA LYS A 109 -0.259 16.122 -2.212 1.00 0.00 H new ATOM 0 HB2 LYS A 109 1.714 14.008 -3.262 1.00 0.00 H new ATOM 0 HB3 LYS A 109 0.987 15.207 -4.312 1.00 0.00 H new ATOM 0 HG2 LYS A 109 2.017 16.998 -2.800 1.00 0.00 H new ATOM 0 HG3 LYS A 109 2.898 15.711 -2.002 1.00 0.00 H new ATOM 0 HD2 LYS A 109 4.017 15.090 -4.082 1.00 0.00 H new ATOM 0 HD3 LYS A 109 3.009 16.183 -5.010 1.00 0.00 H new ATOM 0 HE2 LYS A 109 4.178 18.054 -4.354 1.00 0.00 H new ATOM 0 HE3 LYS A 109 4.580 17.395 -2.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 6.503 17.505 -4.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 6.133 15.888 -3.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 5.743 16.527 -5.365 1.00 0.00 H new ATOM 1714 N HIS A 110 -1.412 13.052 -2.831 1.00 0.00 N ATOM 1715 CA HIS A 110 -2.649 12.307 -3.134 1.00 0.00 C ATOM 1716 C HIS A 110 -3.978 12.663 -2.390 1.00 0.00 C ATOM 1717 O HIS A 110 -4.887 13.245 -2.901 1.00 0.00 O ATOM 1718 CB HIS A 110 -2.319 10.770 -3.215 1.00 0.00 C ATOM 1719 CG HIS A 110 -1.812 10.280 -4.627 1.00 0.00 C ATOM 1720 ND1 HIS A 110 -2.708 10.265 -5.696 1.00 0.00 N ATOM 1721 CD2 HIS A 110 -0.488 10.131 -5.065 1.00 0.00 C ATOM 1722 CE1 HIS A 110 -1.847 9.999 -6.700 1.00 0.00 C ATOM 1723 NE2 HIS A 110 -0.493 9.893 -6.441 1.00 0.00 N ATOM 0 H HIS A 110 -0.703 12.447 -2.418 1.00 0.00 H new ATOM 0 HA HIS A 110 -2.956 12.685 -4.109 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -1.559 10.535 -2.469 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -3.213 10.205 -2.949 1.00 0.00 H new ATOM 0 HD1 HIS A 110 -3.717 10.412 -5.713 1.00 0.00 H new ATOM 0 HD2 HIS A 110 0.391 10.191 -4.441 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -2.216 9.869 -7.707 1.00 0.00 H new ATOM 1731 N ALA A 111 -4.046 12.368 -1.059 1.00 0.00 N ATOM 1732 CA ALA A 111 -5.138 12.855 -0.108 1.00 0.00 C ATOM 1733 C ALA A 111 -5.661 14.371 -0.172 1.00 0.00 C ATOM 1734 O ALA A 111 -6.867 14.666 -0.244 1.00 0.00 O ATOM 1735 CB ALA A 111 -4.565 12.630 1.317 1.00 0.00 C ATOM 0 H ALA A 111 -3.350 11.784 -0.596 1.00 0.00 H new ATOM 0 HA ALA A 111 -6.023 12.293 -0.407 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -5.294 12.957 2.058 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -4.352 11.571 1.460 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -3.646 13.204 1.434 1.00 0.00 H new ATOM 1741 N THR A 112 -4.716 15.341 -0.367 1.00 0.00 N ATOM 1742 CA THR A 112 -5.028 16.730 -0.817 1.00 0.00 C ATOM 1743 C THR A 112 -5.690 16.786 -2.209 1.00 0.00 C ATOM 1744 O THR A 112 -6.869 17.185 -2.238 1.00 0.00 O ATOM 1745 CB THR A 112 -3.795 17.534 -0.596 1.00 0.00 C ATOM 1746 OG1 THR A 112 -3.321 17.433 0.741 1.00 0.00 O ATOM 1747 CG2 THR A 112 -3.958 18.995 -0.910 1.00 0.00 C ATOM 0 H THR A 112 -3.720 15.180 -0.216 1.00 0.00 H new ATOM 0 HA THR A 112 -5.820 17.191 -0.227 1.00 0.00 H new ATOM 0 HB THR A 112 -3.075 17.103 -1.292 1.00 0.00 H new ATOM 0 HG1 THR A 112 -2.651 16.720 0.798 1.00 0.00 H new ATOM 0 HG21 THR A 112 -3.018 19.514 -0.724 1.00 0.00 H new ATOM 0 HG22 THR A 112 -4.237 19.113 -1.957 1.00 0.00 H new ATOM 0 HG23 THR A 112 -4.737 19.419 -0.277 1.00 0.00 H new ATOM 1755 N ALA A 113 -5.077 16.405 -3.333 1.00 0.00 N ATOM 1756 CA ALA A 113 -5.759 16.158 -4.655 1.00 0.00 C ATOM 1757 C ALA A 113 -7.024 15.237 -4.616 1.00 0.00 C ATOM 1758 O ALA A 113 -7.224 14.321 -3.801 1.00 0.00 O ATOM 1759 CB ALA A 113 -4.754 15.546 -5.636 1.00 0.00 C ATOM 1760 OXT ALA A 113 -7.882 15.605 -5.606 1.00 0.00 O ATOM 0 H ALA A 113 -4.070 16.250 -3.375 1.00 0.00 H new ATOM 0 HA ALA A 113 -6.116 17.140 -4.966 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -5.243 15.366 -6.593 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -3.920 16.233 -5.778 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -4.383 14.603 -5.235 1.00 0.00 H new TER 1767 ALA A 113