USER MOD reduce.3.24.130724 H: found=0, std=0, add=1272, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1272 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 99 MET CE :methyl -176:sc= -0.844 (180deg=-0.999) USER MOD Set 1.2: A 124 MET CE :methyl -162:sc= -0.0407 (180deg=0) USER MOD Set 2.1: A 17 GLN : amide:sc= -1.27 K(o=-5.6,f=-11!) USER MOD Set 2.2: A 80 GLN : amide:sc= -4.33 X(o=-5.6,f=-5.4!) USER MOD Set 3.1: A 53 TYR OH : rot 161:sc= 1.49 USER MOD Set 3.2: A 55 ASN :FLIP amide:sc= -6.12! C(o=-9.3!,f=-4.6!) USER MOD Set 4.1: A 48 GLN :FLIP amide:sc= -17! C(o=-31!,f=-28!) USER MOD Set 4.2: A 50 GLN : amide:sc= -10.5! C(o=-28!,f=-32!) USER MOD Set 5.1: A 31 SER OG : rot -28:sc= 0.894 USER MOD Set 5.2: A 62 THR OG1 : rot 35:sc= 1.91 USER MOD Single : A 1 THR N :NH3+ 140:sc= 0.0851 (180deg=0) USER MOD Single : A 1 THR OG1 : rot 180:sc= 0.0219 USER MOD Single : A 4 TYR OH : rot 180:sc= -2.29! USER MOD Single : A 9 SER OG : rot -170:sc= -2.77! USER MOD Single : A 10 ASN : amide:sc= -12.7! C(o=-13!,f=-15!) USER MOD Single : A 13 SER OG : rot -150:sc= -2.57! USER MOD Single : A 19 ASN :FLIP amide:sc= -0.138 F(o=-2.2!,f=-0.14) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 HIS : no HD1:sc= -0.162 X(o=-0.16,f=-0.00016) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 32:sc= 0.67 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot -150:sc= -3.33! USER MOD Single : A 63 SER OG : rot 180:sc= -1.03 USER MOD Single : A 71 ASN : amide:sc= -0.465 K(o=-0.46,f=-2.1!) USER MOD Single : A 72 HIS :FLIP no HD1:sc= -6.24! C(o=-8.7!,f=-6.2!) USER MOD Single : A 73 THR OG1 : rot -17:sc= 0.523 USER MOD Single : A 74 GLN : amide:sc= -3.02! C(o=-3!,f=-4.2!) USER MOD Single : A 79 GLN :FLIP amide:sc= -1.1 F(o=-3.5!,f=-1.1) USER MOD Single : A 85 LYS NZ :NH3+ 138:sc= -3.63! (180deg=-6.46!) USER MOD Single : A 93 THR OG1 : rot 110:sc= -0.184 USER MOD Single : A 103 ASN :FLIP amide:sc= -0.489 F(o=-4.7!,f=-0.49) USER MOD Single : A 107 ASN : amide:sc= -0.27 K(o=-0.27,f=-1) USER MOD Single : A 108 THR OG1 : rot 180:sc= -3.17! USER MOD Single : A 112 THR OG1 : rot 180:sc= -0.923 USER MOD Single : A 115 HIS : no HD1:sc= -0.22 X(o=-0.22,f=-0.13) USER MOD Single : A 116 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 MET CE :methyl 141:sc= -6.42! (180deg=-8.31!) USER MOD Single : A 119 LYS NZ :NH3+ -144:sc= -1.73 (180deg=-3.01!) USER MOD Single : A 120 ASN : amide:sc= -0.98 K(o=-0.98,f=-12!) USER MOD Single : A 142 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 145 GLN :FLIP amide:sc= -6.14! C(o=-16!,f=-6.1!) USER MOD Single : A 148 HIS : no HD1:sc= -0.421 X(o=-0.42,f=-0.012) USER MOD Single : A 149 THR OG1 : rot 180:sc= 0 USER MOD Single : A 154 LYS NZ :NH3+ -160:sc= -5.56! (180deg=-7.02!) USER MOD Single : A 156 ASN :FLIP amide:sc= -0.493 F(o=-3.4!,f=-0.49) USER MOD Single : A 157 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 1.500 -13.287 -9.935 1.00 0.73 N ATOM 2 CA THR A 1 0.621 -12.752 -8.862 1.00 0.53 C ATOM 3 C THR A 1 0.668 -11.226 -8.827 1.00 0.47 C ATOM 4 O THR A 1 1.602 -10.612 -9.344 1.00 0.70 O ATOM 5 CB THR A 1 1.084 -13.331 -7.523 1.00 0.54 C ATOM 6 OG1 THR A 1 1.093 -14.748 -7.567 1.00 0.58 O ATOM 7 CG2 THR A 1 0.216 -12.919 -6.354 1.00 0.81 C ATOM 0 H1 THR A 1 1.991 -14.136 -9.590 1.00 0.73 H new ATOM 0 H2 THR A 1 0.924 -13.534 -10.765 1.00 0.73 H new ATOM 0 H3 THR A 1 2.200 -12.566 -10.202 1.00 0.73 H new ATOM 0 HA THR A 1 -0.411 -13.043 -9.058 1.00 0.53 H new ATOM 0 HB THR A 1 2.086 -12.929 -7.369 1.00 0.54 H new ATOM 0 HG1 THR A 1 1.393 -15.100 -6.703 1.00 0.58 H new ATOM 0 HG21 THR A 1 0.603 -13.366 -5.438 1.00 0.81 H new ATOM 0 HG22 THR A 1 0.224 -11.833 -6.260 1.00 0.81 H new ATOM 0 HG23 THR A 1 -0.805 -13.261 -6.521 1.00 0.81 H new ATOM 17 N VAL A 2 -0.343 -10.619 -8.212 1.00 0.44 N ATOM 18 CA VAL A 2 -0.417 -9.167 -8.111 1.00 0.42 C ATOM 19 C VAL A 2 -0.018 -8.686 -6.721 1.00 0.38 C ATOM 20 O VAL A 2 -0.320 -9.331 -5.718 1.00 0.43 O ATOM 21 CB VAL A 2 -1.836 -8.649 -8.422 1.00 0.51 C ATOM 22 CG1 VAL A 2 -1.934 -7.157 -8.155 1.00 1.29 C ATOM 23 CG2 VAL A 2 -2.213 -8.950 -9.860 1.00 0.85 C ATOM 0 H VAL A 2 -1.122 -11.112 -7.776 1.00 0.44 H new ATOM 0 HA VAL A 2 0.281 -8.771 -8.848 1.00 0.42 H new ATOM 0 HB VAL A 2 -2.535 -9.165 -7.764 1.00 0.51 H new ATOM 0 HG11 VAL A 2 -2.943 -6.812 -8.381 1.00 1.29 H new ATOM 0 HG12 VAL A 2 -1.709 -6.959 -7.107 1.00 1.29 H new ATOM 0 HG13 VAL A 2 -1.220 -6.627 -8.785 1.00 1.29 H new ATOM 0 HG21 VAL A 2 -3.218 -8.576 -10.059 1.00 0.85 H new ATOM 0 HG22 VAL A 2 -1.505 -8.463 -10.531 1.00 0.85 H new ATOM 0 HG23 VAL A 2 -2.187 -10.027 -10.025 1.00 0.85 H new ATOM 33 N ALA A 3 0.645 -7.536 -6.674 1.00 0.38 N ATOM 34 CA ALA A 3 1.068 -6.948 -5.413 1.00 0.40 C ATOM 35 C ALA A 3 0.208 -5.736 -5.082 1.00 0.40 C ATOM 36 O ALA A 3 0.433 -4.639 -5.596 1.00 0.65 O ATOM 37 CB ALA A 3 2.539 -6.565 -5.469 1.00 0.43 C ATOM 0 H ALA A 3 0.901 -6.993 -7.498 1.00 0.38 H new ATOM 0 HA ALA A 3 0.940 -7.688 -4.623 1.00 0.40 H new ATOM 0 HB1 ALA A 3 2.837 -6.127 -4.517 1.00 0.43 H new ATOM 0 HB2 ALA A 3 3.139 -7.454 -5.663 1.00 0.43 H new ATOM 0 HB3 ALA A 3 2.696 -5.840 -6.267 1.00 0.43 H new ATOM 43 N TYR A 4 -0.777 -5.946 -4.220 1.00 0.25 N ATOM 44 CA TYR A 4 -1.683 -4.884 -3.808 1.00 0.24 C ATOM 45 C TYR A 4 -1.067 -4.113 -2.646 1.00 0.27 C ATOM 46 O TYR A 4 -1.203 -4.508 -1.487 1.00 0.35 O ATOM 47 CB TYR A 4 -3.020 -5.489 -3.396 1.00 0.25 C ATOM 48 CG TYR A 4 -3.599 -6.444 -4.418 1.00 0.27 C ATOM 49 CD1 TYR A 4 -3.083 -7.725 -4.577 1.00 0.55 C ATOM 50 CD2 TYR A 4 -4.657 -6.062 -5.231 1.00 0.62 C ATOM 51 CE1 TYR A 4 -3.603 -8.595 -5.513 1.00 0.61 C ATOM 52 CE2 TYR A 4 -5.182 -6.929 -6.166 1.00 0.66 C ATOM 53 CZ TYR A 4 -4.653 -8.191 -6.306 1.00 0.45 C ATOM 54 OH TYR A 4 -5.176 -9.053 -7.242 1.00 0.55 O ATOM 0 H TYR A 4 -0.970 -6.850 -3.789 1.00 0.25 H new ATOM 0 HA TYR A 4 -1.848 -4.197 -4.638 1.00 0.24 H new ATOM 0 HB2 TYR A 4 -2.894 -6.016 -2.450 1.00 0.25 H new ATOM 0 HB3 TYR A 4 -3.733 -4.684 -3.219 1.00 0.25 H new ATOM 0 HD1 TYR A 4 -2.259 -8.045 -3.956 1.00 0.55 H new ATOM 0 HD2 TYR A 4 -5.075 -5.071 -5.130 1.00 0.62 H new ATOM 0 HE1 TYR A 4 -3.189 -9.586 -5.623 1.00 0.61 H new ATOM 0 HE2 TYR A 4 -6.008 -6.617 -6.788 1.00 0.66 H new ATOM 0 HH TYR A 4 -5.912 -8.613 -7.717 1.00 0.55 H new ATOM 64 N ILE A 5 -0.353 -3.035 -2.961 1.00 0.28 N ATOM 65 CA ILE A 5 0.320 -2.248 -1.935 1.00 0.34 C ATOM 66 C ILE A 5 -0.252 -0.837 -1.820 1.00 0.34 C ATOM 67 O ILE A 5 -0.956 -0.363 -2.713 1.00 0.39 O ATOM 68 CB ILE A 5 1.826 -2.141 -2.236 1.00 0.41 C ATOM 69 CG1 ILE A 5 2.325 -3.426 -2.902 1.00 0.44 C ATOM 70 CG2 ILE A 5 2.600 -1.870 -0.956 1.00 0.53 C ATOM 71 CD1 ILE A 5 3.785 -3.383 -3.297 1.00 0.95 C ATOM 0 H ILE A 5 -0.227 -2.689 -3.912 1.00 0.28 H new ATOM 0 HA ILE A 5 0.157 -2.768 -0.991 1.00 0.34 H new ATOM 0 HB ILE A 5 1.989 -1.310 -2.922 1.00 0.41 H new ATOM 0 HG12 ILE A 5 2.167 -4.262 -2.221 1.00 0.44 H new ATOM 0 HG13 ILE A 5 1.724 -3.621 -3.790 1.00 0.44 H new ATOM 0 HG21 ILE A 5 3.664 -1.797 -1.183 1.00 0.53 H new ATOM 0 HG22 ILE A 5 2.257 -0.934 -0.515 1.00 0.53 H new ATOM 0 HG23 ILE A 5 2.435 -2.685 -0.251 1.00 0.53 H new ATOM 0 HD11 ILE A 5 4.064 -4.328 -3.762 1.00 0.95 H new ATOM 0 HD12 ILE A 5 3.947 -2.569 -4.004 1.00 0.95 H new ATOM 0 HD13 ILE A 5 4.397 -3.220 -2.410 1.00 0.95 H new ATOM 83 N ALA A 6 0.074 -0.167 -0.714 1.00 0.40 N ATOM 84 CA ALA A 6 -0.383 1.197 -0.472 1.00 0.44 C ATOM 85 C ALA A 6 0.808 2.139 -0.305 1.00 0.42 C ATOM 86 O ALA A 6 1.869 1.724 0.160 1.00 0.58 O ATOM 87 CB ALA A 6 -1.277 1.245 0.760 1.00 0.53 C ATOM 0 H ALA A 6 0.656 -0.551 0.030 1.00 0.40 H new ATOM 0 HA ALA A 6 -0.963 1.526 -1.334 1.00 0.44 H new ATOM 0 HB1 ALA A 6 -1.610 2.269 0.928 1.00 0.53 H new ATOM 0 HB2 ALA A 6 -2.144 0.602 0.606 1.00 0.53 H new ATOM 0 HB3 ALA A 6 -0.718 0.898 1.629 1.00 0.53 H new ATOM 93 N ILE A 7 0.638 3.400 -0.696 1.00 0.41 N ATOM 94 CA ILE A 7 1.715 4.381 -0.591 1.00 0.40 C ATOM 95 C ILE A 7 1.224 5.689 0.028 1.00 0.44 C ATOM 96 O ILE A 7 0.057 6.051 -0.110 1.00 0.52 O ATOM 97 CB ILE A 7 2.332 4.681 -1.974 1.00 0.50 C ATOM 98 CG1 ILE A 7 2.777 3.383 -2.653 1.00 0.65 C ATOM 99 CG2 ILE A 7 3.507 5.641 -1.841 1.00 0.53 C ATOM 100 CD1 ILE A 7 3.313 3.581 -4.054 1.00 0.99 C ATOM 0 H ILE A 7 -0.231 3.765 -1.086 1.00 0.41 H new ATOM 0 HA ILE A 7 2.475 3.945 0.058 1.00 0.40 H new ATOM 0 HB ILE A 7 1.571 5.154 -2.594 1.00 0.50 H new ATOM 0 HG12 ILE A 7 3.546 2.910 -2.043 1.00 0.65 H new ATOM 0 HG13 ILE A 7 1.932 2.695 -2.691 1.00 0.65 H new ATOM 0 HG21 ILE A 7 3.928 5.840 -2.827 1.00 0.53 H new ATOM 0 HG22 ILE A 7 3.165 6.576 -1.397 1.00 0.53 H new ATOM 0 HG23 ILE A 7 4.271 5.195 -1.204 1.00 0.53 H new ATOM 0 HD11 ILE A 7 3.608 2.618 -4.470 1.00 0.99 H new ATOM 0 HD12 ILE A 7 2.539 4.025 -4.680 1.00 0.99 H new ATOM 0 HD13 ILE A 7 4.178 4.243 -4.022 1.00 0.99 H new ATOM 112 N GLY A 8 2.130 6.395 0.703 1.00 0.50 N ATOM 113 CA GLY A 8 1.778 7.659 1.327 1.00 0.61 C ATOM 114 C GLY A 8 2.945 8.629 1.335 1.00 0.62 C ATOM 115 O GLY A 8 4.095 8.215 1.191 1.00 0.90 O ATOM 0 H GLY A 8 3.102 6.113 0.828 1.00 0.50 H new ATOM 0 HA2 GLY A 8 0.938 8.105 0.795 1.00 0.61 H new ATOM 0 HA3 GLY A 8 1.448 7.480 2.350 1.00 0.61 H new ATOM 119 N SER A 9 2.655 9.920 1.490 1.00 0.56 N ATOM 120 CA SER A 9 3.707 10.935 1.495 1.00 0.63 C ATOM 121 C SER A 9 3.175 12.308 1.904 1.00 0.66 C ATOM 122 O SER A 9 2.162 12.768 1.377 1.00 0.77 O ATOM 123 CB SER A 9 4.341 11.023 0.107 1.00 0.77 C ATOM 124 OG SER A 9 3.345 11.122 -0.895 1.00 1.58 O ATOM 0 H SER A 9 1.711 10.285 1.613 1.00 0.56 H new ATOM 0 HA SER A 9 4.453 10.636 2.231 1.00 0.63 H new ATOM 0 HB2 SER A 9 5.000 11.890 0.058 1.00 0.77 H new ATOM 0 HB3 SER A 9 4.958 10.142 -0.073 1.00 0.77 H new ATOM 0 HG SER A 9 3.758 11.019 -1.778 1.00 1.58 H new ATOM 130 N ASN A 10 3.871 12.963 2.835 1.00 0.69 N ATOM 131 CA ASN A 10 3.465 14.289 3.296 1.00 0.79 C ATOM 132 C ASN A 10 4.631 15.081 3.895 1.00 0.83 C ATOM 133 O ASN A 10 4.668 16.308 3.791 1.00 0.98 O ATOM 134 CB ASN A 10 2.338 14.184 4.322 1.00 0.99 C ATOM 135 CG ASN A 10 2.600 13.138 5.388 1.00 1.05 C ATOM 136 OD1 ASN A 10 3.725 12.973 5.847 1.00 2.01 O ATOM 137 ND2 ASN A 10 1.546 12.447 5.812 1.00 1.01 N ATOM 0 H ASN A 10 4.713 12.599 3.281 1.00 0.69 H new ATOM 0 HA ASN A 10 3.111 14.828 2.418 1.00 0.79 H new ATOM 0 HB2 ASN A 10 2.198 15.154 4.800 1.00 0.99 H new ATOM 0 HB3 ASN A 10 1.407 13.945 3.807 1.00 0.99 H new ATOM 0 HD21 ASN A 10 1.656 11.748 6.547 1.00 1.01 H new ATOM 0 HD22 ASN A 10 0.627 12.616 5.403 1.00 1.01 H new ATOM 144 N LEU A 11 5.572 14.387 4.531 1.00 0.83 N ATOM 145 CA LEU A 11 6.721 15.053 5.150 1.00 0.95 C ATOM 146 C LEU A 11 7.950 15.034 4.245 1.00 0.93 C ATOM 147 O LEU A 11 9.053 14.720 4.693 1.00 1.38 O ATOM 148 CB LEU A 11 7.058 14.406 6.497 1.00 1.12 C ATOM 149 CG LEU A 11 6.381 15.039 7.717 1.00 0.90 C ATOM 150 CD1 LEU A 11 6.843 16.478 7.896 1.00 1.77 C ATOM 151 CD2 LEU A 11 4.868 14.983 7.588 1.00 1.54 C ATOM 0 H LEU A 11 5.565 13.372 4.632 1.00 0.83 H new ATOM 0 HA LEU A 11 6.439 16.094 5.309 1.00 0.95 H new ATOM 0 HB2 LEU A 11 6.781 13.353 6.455 1.00 1.12 H new ATOM 0 HB3 LEU A 11 8.138 14.446 6.640 1.00 1.12 H new ATOM 0 HG LEU A 11 6.670 14.467 8.599 1.00 0.90 H new ATOM 0 HD11 LEU A 11 6.352 16.912 8.767 1.00 1.77 H new ATOM 0 HD12 LEU A 11 7.923 16.498 8.041 1.00 1.77 H new ATOM 0 HD13 LEU A 11 6.585 17.056 7.009 1.00 1.77 H new ATOM 0 HD21 LEU A 11 4.411 15.439 8.466 1.00 1.54 H new ATOM 0 HD22 LEU A 11 4.559 15.526 6.695 1.00 1.54 H new ATOM 0 HD23 LEU A 11 4.548 13.944 7.510 1.00 1.54 H new ATOM 163 N ALA A 12 7.758 15.386 2.980 1.00 0.84 N ATOM 164 CA ALA A 12 8.858 15.421 2.023 1.00 0.91 C ATOM 165 C ALA A 12 8.414 16.044 0.705 1.00 0.95 C ATOM 166 O ALA A 12 8.666 17.221 0.442 1.00 1.72 O ATOM 167 CB ALA A 12 9.404 14.020 1.790 1.00 0.97 C ATOM 0 H ALA A 12 6.852 15.651 2.593 1.00 0.84 H new ATOM 0 HA ALA A 12 9.652 16.040 2.441 1.00 0.91 H new ATOM 0 HB1 ALA A 12 10.224 14.064 1.073 1.00 0.97 H new ATOM 0 HB2 ALA A 12 9.767 13.610 2.732 1.00 0.97 H new ATOM 0 HB3 ALA A 12 8.613 13.382 1.397 1.00 0.97 H new ATOM 173 N SER A 13 7.746 15.244 -0.115 1.00 0.81 N ATOM 174 CA SER A 13 7.252 15.692 -1.410 1.00 0.79 C ATOM 175 C SER A 13 6.208 14.709 -1.931 1.00 0.71 C ATOM 176 O SER A 13 6.490 13.911 -2.819 1.00 0.71 O ATOM 177 CB SER A 13 8.407 15.820 -2.404 1.00 0.89 C ATOM 178 OG SER A 13 9.108 14.594 -2.530 1.00 1.47 O ATOM 0 H SER A 13 7.532 14.270 0.098 1.00 0.81 H new ATOM 0 HA SER A 13 6.789 16.672 -1.294 1.00 0.79 H new ATOM 0 HB2 SER A 13 8.022 16.124 -3.377 1.00 0.89 H new ATOM 0 HB3 SER A 13 9.091 16.602 -2.073 1.00 0.89 H new ATOM 0 HG SER A 13 10.046 14.775 -2.747 1.00 1.47 H new ATOM 184 N PRO A 14 4.994 14.742 -1.356 1.00 0.69 N ATOM 185 CA PRO A 14 3.903 13.840 -1.733 1.00 0.66 C ATOM 186 C PRO A 14 3.795 13.577 -3.237 1.00 0.67 C ATOM 187 O PRO A 14 3.378 12.496 -3.650 1.00 0.66 O ATOM 188 CB PRO A 14 2.665 14.573 -1.234 1.00 0.68 C ATOM 189 CG PRO A 14 3.130 15.350 -0.048 1.00 0.80 C ATOM 190 CD PRO A 14 4.592 15.656 -0.270 1.00 0.78 C ATOM 0 HA PRO A 14 4.052 12.848 -1.307 1.00 0.66 H new ATOM 0 HB2 PRO A 14 2.259 15.231 -2.003 1.00 0.68 H new ATOM 0 HB3 PRO A 14 1.874 13.873 -0.963 1.00 0.68 H new ATOM 0 HG2 PRO A 14 2.555 16.270 0.061 1.00 0.80 H new ATOM 0 HG3 PRO A 14 2.990 14.777 0.868 1.00 0.80 H new ATOM 0 HD2 PRO A 14 4.742 16.698 -0.551 1.00 0.78 H new ATOM 0 HD3 PRO A 14 5.177 15.482 0.633 1.00 0.78 H new ATOM 198 N LEU A 15 4.153 14.564 -4.049 1.00 0.73 N ATOM 199 CA LEU A 15 4.069 14.420 -5.502 1.00 0.78 C ATOM 200 C LEU A 15 5.294 13.714 -6.081 1.00 0.73 C ATOM 201 O LEU A 15 5.177 12.919 -7.013 1.00 0.79 O ATOM 202 CB LEU A 15 3.906 15.792 -6.161 1.00 0.92 C ATOM 203 CG LEU A 15 3.826 15.775 -7.690 1.00 0.98 C ATOM 204 CD1 LEU A 15 2.616 14.979 -8.156 1.00 1.00 C ATOM 205 CD2 LEU A 15 3.774 17.195 -8.235 1.00 1.15 C ATOM 0 H LEU A 15 4.502 15.468 -3.732 1.00 0.73 H new ATOM 0 HA LEU A 15 3.196 13.803 -5.715 1.00 0.78 H new ATOM 0 HB2 LEU A 15 3.002 16.260 -5.771 1.00 0.92 H new ATOM 0 HB3 LEU A 15 4.744 16.422 -5.864 1.00 0.92 H new ATOM 0 HG LEU A 15 4.722 15.289 -8.075 1.00 0.98 H new ATOM 0 HD11 LEU A 15 2.578 14.979 -9.245 1.00 1.00 H new ATOM 0 HD12 LEU A 15 2.695 13.953 -7.796 1.00 1.00 H new ATOM 0 HD13 LEU A 15 1.707 15.433 -7.761 1.00 1.00 H new ATOM 0 HD21 LEU A 15 3.717 17.165 -9.323 1.00 1.15 H new ATOM 0 HD22 LEU A 15 2.895 17.704 -7.840 1.00 1.15 H new ATOM 0 HD23 LEU A 15 4.672 17.734 -7.933 1.00 1.15 H new ATOM 217 N GLU A 16 6.468 14.020 -5.539 1.00 0.71 N ATOM 218 CA GLU A 16 7.714 13.435 -6.015 1.00 0.71 C ATOM 219 C GLU A 16 7.927 12.021 -5.483 1.00 0.63 C ATOM 220 O GLU A 16 8.499 11.170 -6.165 1.00 0.65 O ATOM 221 CB GLU A 16 8.876 14.322 -5.586 1.00 0.81 C ATOM 222 CG GLU A 16 8.884 15.674 -6.272 1.00 0.95 C ATOM 223 CD GLU A 16 10.060 16.535 -5.852 1.00 1.57 C ATOM 224 OE1 GLU A 16 11.214 16.105 -6.067 1.00 2.35 O ATOM 225 OE2 GLU A 16 9.829 17.635 -5.310 1.00 2.01 O ATOM 0 H GLU A 16 6.582 14.674 -4.765 1.00 0.71 H new ATOM 0 HA GLU A 16 7.661 13.370 -7.102 1.00 0.71 H new ATOM 0 HB2 GLU A 16 8.832 14.470 -4.507 1.00 0.81 H new ATOM 0 HB3 GLU A 16 9.814 13.809 -5.799 1.00 0.81 H new ATOM 0 HG2 GLU A 16 8.912 15.529 -7.352 1.00 0.95 H new ATOM 0 HG3 GLU A 16 7.956 16.198 -6.045 1.00 0.95 H new ATOM 232 N GLN A 17 7.486 11.786 -4.258 1.00 0.59 N ATOM 233 CA GLN A 17 7.644 10.489 -3.618 1.00 0.56 C ATOM 234 C GLN A 17 6.875 9.403 -4.358 1.00 0.55 C ATOM 235 O GLN A 17 7.348 8.275 -4.480 1.00 0.61 O ATOM 236 CB GLN A 17 7.178 10.572 -2.166 1.00 0.62 C ATOM 237 CG GLN A 17 7.877 11.665 -1.370 1.00 0.71 C ATOM 238 CD GLN A 17 9.363 11.412 -1.205 1.00 1.20 C ATOM 239 OE1 GLN A 17 10.113 11.381 -2.182 1.00 1.99 O ATOM 240 NE2 GLN A 17 9.798 11.233 0.037 1.00 1.63 N ATOM 0 H GLN A 17 7.012 12.482 -3.683 1.00 0.59 H new ATOM 0 HA GLN A 17 8.700 10.222 -3.647 1.00 0.56 H new ATOM 0 HB2 GLN A 17 6.103 10.749 -2.147 1.00 0.62 H new ATOM 0 HB3 GLN A 17 7.351 9.612 -1.681 1.00 0.62 H new ATOM 0 HG2 GLN A 17 7.729 12.623 -1.869 1.00 0.71 H new ATOM 0 HG3 GLN A 17 7.415 11.744 -0.386 1.00 0.71 H new ATOM 0 HE21 GLN A 17 9.142 11.267 0.817 1.00 1.63 H new ATOM 0 HE22 GLN A 17 10.788 11.062 0.211 1.00 1.63 H new ATOM 249 N VAL A 18 5.685 9.742 -4.847 1.00 0.56 N ATOM 250 CA VAL A 18 4.853 8.785 -5.567 1.00 0.62 C ATOM 251 C VAL A 18 5.513 8.336 -6.869 1.00 0.60 C ATOM 252 O VAL A 18 5.455 7.158 -7.225 1.00 0.64 O ATOM 253 CB VAL A 18 3.463 9.372 -5.881 1.00 0.76 C ATOM 254 CG1 VAL A 18 2.634 8.391 -6.699 1.00 0.82 C ATOM 255 CG2 VAL A 18 2.740 9.741 -4.595 1.00 0.83 C ATOM 0 H VAL A 18 5.276 10.672 -4.757 1.00 0.56 H new ATOM 0 HA VAL A 18 4.736 7.921 -4.913 1.00 0.62 H new ATOM 0 HB VAL A 18 3.599 10.277 -6.473 1.00 0.76 H new ATOM 0 HG11 VAL A 18 1.657 8.827 -6.909 1.00 0.82 H new ATOM 0 HG12 VAL A 18 3.145 8.177 -7.638 1.00 0.82 H new ATOM 0 HG13 VAL A 18 2.506 7.466 -6.137 1.00 0.82 H new ATOM 0 HG21 VAL A 18 1.760 10.154 -4.834 1.00 0.83 H new ATOM 0 HG22 VAL A 18 2.618 8.851 -3.978 1.00 0.83 H new ATOM 0 HG23 VAL A 18 3.323 10.483 -4.050 1.00 0.83 H new ATOM 265 N ASN A 19 6.133 9.273 -7.578 1.00 0.60 N ATOM 266 CA ASN A 19 6.792 8.961 -8.843 1.00 0.64 C ATOM 267 C ASN A 19 7.841 7.867 -8.670 1.00 0.56 C ATOM 268 O ASN A 19 7.895 6.921 -9.455 1.00 0.63 O ATOM 269 CB ASN A 19 7.442 10.212 -9.436 1.00 0.72 C ATOM 270 CG ASN A 19 6.424 11.263 -9.832 1.00 0.82 C ATOM 271 OD1 ASN A 19 6.559 12.457 -9.270 1.00 0.92 O flip ATOM 272 ND2 ASN A 19 5.529 11.006 -10.637 1.00 0.84 N flip ATOM 0 H ASN A 19 6.194 10.253 -7.300 1.00 0.60 H new ATOM 0 HA ASN A 19 6.027 8.597 -9.528 1.00 0.64 H new ATOM 0 HB2 ASN A 19 8.134 10.637 -8.709 1.00 0.72 H new ATOM 0 HB3 ASN A 19 8.030 9.932 -10.310 1.00 0.72 H new ATOM 0 HD21 ASN A 19 5.462 10.074 -11.045 1.00 0.84 H new ATOM 0 HD22 ASN A 19 4.854 11.725 -10.896 1.00 0.84 H new ATOM 279 N ALA A 20 8.678 8.005 -7.647 1.00 0.47 N ATOM 280 CA ALA A 20 9.731 7.030 -7.383 1.00 0.42 C ATOM 281 C ALA A 20 9.202 5.836 -6.597 1.00 0.35 C ATOM 282 O ALA A 20 9.777 4.751 -6.645 1.00 0.36 O ATOM 283 CB ALA A 20 10.881 7.689 -6.637 1.00 0.43 C ATOM 0 H ALA A 20 8.648 8.782 -6.987 1.00 0.47 H new ATOM 0 HA ALA A 20 10.094 6.660 -8.342 1.00 0.42 H new ATOM 0 HB1 ALA A 20 11.661 6.952 -6.446 1.00 0.43 H new ATOM 0 HB2 ALA A 20 11.289 8.500 -7.240 1.00 0.43 H new ATOM 0 HB3 ALA A 20 10.519 8.088 -5.690 1.00 0.43 H new ATOM 289 N ALA A 21 8.107 6.039 -5.873 1.00 0.36 N ATOM 290 CA ALA A 21 7.512 4.969 -5.080 1.00 0.39 C ATOM 291 C ALA A 21 7.009 3.835 -5.967 1.00 0.41 C ATOM 292 O ALA A 21 7.246 2.660 -5.684 1.00 0.44 O ATOM 293 CB ALA A 21 6.377 5.511 -4.224 1.00 0.46 C ATOM 0 H ALA A 21 7.615 6.931 -5.819 1.00 0.36 H new ATOM 0 HA ALA A 21 8.287 4.567 -4.427 1.00 0.39 H new ATOM 0 HB1 ALA A 21 5.944 4.700 -3.638 1.00 0.46 H new ATOM 0 HB2 ALA A 21 6.762 6.278 -3.552 1.00 0.46 H new ATOM 0 HB3 ALA A 21 5.611 5.944 -4.867 1.00 0.46 H new ATOM 299 N LEU A 22 6.306 4.191 -7.042 1.00 0.47 N ATOM 300 CA LEU A 22 5.765 3.198 -7.963 1.00 0.53 C ATOM 301 C LEU A 22 6.797 2.773 -9.009 1.00 0.50 C ATOM 302 O LEU A 22 6.784 1.635 -9.476 1.00 0.64 O ATOM 303 CB LEU A 22 4.494 3.733 -8.637 1.00 0.70 C ATOM 304 CG LEU A 22 4.627 5.083 -9.351 1.00 0.81 C ATOM 305 CD1 LEU A 22 5.325 4.930 -10.694 1.00 1.28 C ATOM 306 CD2 LEU A 22 3.260 5.725 -9.532 1.00 1.35 C ATOM 0 H LEU A 22 6.099 5.158 -7.294 1.00 0.47 H new ATOM 0 HA LEU A 22 5.508 2.311 -7.383 1.00 0.53 H new ATOM 0 HB2 LEU A 22 4.153 2.994 -9.362 1.00 0.70 H new ATOM 0 HB3 LEU A 22 3.715 3.821 -7.880 1.00 0.70 H new ATOM 0 HG LEU A 22 5.240 5.734 -8.727 1.00 0.81 H new ATOM 0 HD11 LEU A 22 5.404 5.904 -11.176 1.00 1.28 H new ATOM 0 HD12 LEU A 22 6.323 4.519 -10.541 1.00 1.28 H new ATOM 0 HD13 LEU A 22 4.749 4.257 -11.329 1.00 1.28 H new ATOM 0 HD21 LEU A 22 3.372 6.683 -10.040 1.00 1.35 H new ATOM 0 HD22 LEU A 22 2.626 5.069 -10.129 1.00 1.35 H new ATOM 0 HD23 LEU A 22 2.801 5.884 -8.556 1.00 1.35 H new ATOM 318 N LYS A 23 7.684 3.690 -9.378 1.00 0.45 N ATOM 319 CA LYS A 23 8.707 3.396 -10.377 1.00 0.49 C ATOM 320 C LYS A 23 9.777 2.464 -9.815 1.00 0.43 C ATOM 321 O LYS A 23 10.293 1.603 -10.529 1.00 0.51 O ATOM 322 CB LYS A 23 9.343 4.690 -10.881 1.00 0.56 C ATOM 323 CG LYS A 23 10.494 4.477 -11.855 1.00 0.93 C ATOM 324 CD LYS A 23 10.049 3.726 -13.100 1.00 1.62 C ATOM 325 CE LYS A 23 11.204 3.521 -14.069 1.00 2.52 C ATOM 326 NZ LYS A 23 10.786 2.776 -15.288 1.00 3.23 N ATOM 0 H LYS A 23 7.717 4.638 -9.004 1.00 0.45 H new ATOM 0 HA LYS A 23 8.225 2.889 -11.213 1.00 0.49 H new ATOM 0 HB2 LYS A 23 8.577 5.294 -11.367 1.00 0.56 H new ATOM 0 HB3 LYS A 23 9.705 5.262 -10.026 1.00 0.56 H new ATOM 0 HG2 LYS A 23 10.910 5.443 -12.142 1.00 0.93 H new ATOM 0 HG3 LYS A 23 11.290 3.921 -11.360 1.00 0.93 H new ATOM 0 HD2 LYS A 23 9.636 2.759 -12.815 1.00 1.62 H new ATOM 0 HD3 LYS A 23 9.251 4.280 -13.595 1.00 1.62 H new ATOM 0 HE2 LYS A 23 11.610 4.490 -14.358 1.00 2.52 H new ATOM 0 HE3 LYS A 23 12.005 2.976 -13.568 1.00 2.52 H new ATOM 0 HZ1 LYS A 23 11.603 2.659 -15.920 1.00 3.23 H new ATOM 0 HZ2 LYS A 23 10.422 1.841 -15.015 1.00 3.23 H new ATOM 0 HZ3 LYS A 23 10.040 3.307 -15.781 1.00 3.23 H new ATOM 340 N ALA A 24 10.105 2.637 -8.541 1.00 0.37 N ATOM 341 CA ALA A 24 11.113 1.803 -7.897 1.00 0.41 C ATOM 342 C ALA A 24 10.727 0.331 -7.975 1.00 0.41 C ATOM 343 O ALA A 24 11.590 -0.545 -8.020 1.00 0.43 O ATOM 344 CB ALA A 24 11.307 2.219 -6.447 1.00 0.46 C ATOM 0 H ALA A 24 9.690 3.344 -7.935 1.00 0.37 H new ATOM 0 HA ALA A 24 12.055 1.942 -8.428 1.00 0.41 H new ATOM 0 HB1 ALA A 24 12.063 1.585 -5.984 1.00 0.46 H new ATOM 0 HB2 ALA A 24 11.632 3.259 -6.407 1.00 0.46 H new ATOM 0 HB3 ALA A 24 10.365 2.112 -5.909 1.00 0.46 H new ATOM 350 N LEU A 25 9.423 0.068 -7.996 1.00 0.43 N ATOM 351 CA LEU A 25 8.921 -1.299 -8.076 1.00 0.48 C ATOM 352 C LEU A 25 9.202 -1.894 -9.449 1.00 0.49 C ATOM 353 O LEU A 25 9.366 -3.107 -9.589 1.00 0.57 O ATOM 354 CB LEU A 25 7.419 -1.336 -7.786 1.00 0.53 C ATOM 355 CG LEU A 25 7.012 -0.843 -6.396 1.00 0.70 C ATOM 356 CD1 LEU A 25 5.502 -0.893 -6.236 1.00 0.95 C ATOM 357 CD2 LEU A 25 7.689 -1.671 -5.313 1.00 1.00 C ATOM 0 H LEU A 25 8.696 0.783 -7.959 1.00 0.43 H new ATOM 0 HA LEU A 25 9.438 -1.896 -7.325 1.00 0.48 H new ATOM 0 HB2 LEU A 25 6.906 -0.731 -8.533 1.00 0.53 H new ATOM 0 HB3 LEU A 25 7.067 -2.360 -7.908 1.00 0.53 H new ATOM 0 HG LEU A 25 7.338 0.192 -6.290 1.00 0.70 H new ATOM 0 HD11 LEU A 25 5.230 -0.539 -5.242 1.00 0.95 H new ATOM 0 HD12 LEU A 25 5.035 -0.257 -6.988 1.00 0.95 H new ATOM 0 HD13 LEU A 25 5.156 -1.919 -6.363 1.00 0.95 H new ATOM 0 HD21 LEU A 25 7.386 -1.304 -4.332 1.00 1.00 H new ATOM 0 HD22 LEU A 25 7.395 -2.716 -5.416 1.00 1.00 H new ATOM 0 HD23 LEU A 25 8.771 -1.587 -5.414 1.00 1.00 H new ATOM 369 N GLY A 26 9.271 -1.031 -10.458 1.00 0.47 N ATOM 370 CA GLY A 26 9.551 -1.492 -11.804 1.00 0.53 C ATOM 371 C GLY A 26 10.950 -2.058 -11.907 1.00 0.50 C ATOM 372 O GLY A 26 11.223 -2.924 -12.738 1.00 0.64 O ATOM 0 H GLY A 26 9.138 -0.024 -10.367 1.00 0.47 H new ATOM 0 HA2 GLY A 26 8.825 -2.254 -12.089 1.00 0.53 H new ATOM 0 HA3 GLY A 26 9.437 -0.666 -12.506 1.00 0.53 H new ATOM 376 N ASP A 27 11.830 -1.565 -11.044 1.00 0.43 N ATOM 377 CA ASP A 27 13.203 -2.004 -11.002 1.00 0.46 C ATOM 378 C ASP A 27 13.343 -3.235 -10.112 1.00 0.41 C ATOM 379 O ASP A 27 14.259 -4.039 -10.284 1.00 0.56 O ATOM 380 CB ASP A 27 14.067 -0.869 -10.469 1.00 0.59 C ATOM 381 CG ASP A 27 14.157 0.298 -11.433 1.00 1.05 C ATOM 382 OD1 ASP A 27 13.551 0.218 -12.524 1.00 1.50 O ATOM 383 OD2 ASP A 27 14.835 1.292 -11.099 1.00 1.48 O ATOM 0 H ASP A 27 11.602 -0.848 -10.355 1.00 0.43 H new ATOM 0 HA ASP A 27 13.528 -2.274 -12.007 1.00 0.46 H new ATOM 0 HB2 ASP A 27 13.658 -0.521 -9.520 1.00 0.59 H new ATOM 0 HB3 ASP A 27 15.070 -1.245 -10.265 1.00 0.59 H new ATOM 388 N ILE A 28 12.421 -3.370 -9.161 1.00 0.37 N ATOM 389 CA ILE A 28 12.424 -4.499 -8.239 1.00 0.36 C ATOM 390 C ILE A 28 12.423 -5.824 -9.002 1.00 0.42 C ATOM 391 O ILE A 28 11.723 -5.968 -10.004 1.00 0.47 O ATOM 392 CB ILE A 28 11.207 -4.445 -7.287 1.00 0.41 C ATOM 393 CG1 ILE A 28 11.269 -3.190 -6.411 1.00 0.45 C ATOM 394 CG2 ILE A 28 11.136 -5.695 -6.422 1.00 0.47 C ATOM 395 CD1 ILE A 28 12.500 -3.116 -5.531 1.00 1.27 C ATOM 0 H ILE A 28 11.660 -2.708 -9.010 1.00 0.37 H new ATOM 0 HA ILE A 28 13.335 -4.433 -7.644 1.00 0.36 H new ATOM 0 HB ILE A 28 10.303 -4.402 -7.894 1.00 0.41 H new ATOM 0 HG12 ILE A 28 11.239 -2.309 -7.052 1.00 0.45 H new ATOM 0 HG13 ILE A 28 10.381 -3.155 -5.780 1.00 0.45 H new ATOM 0 HG21 ILE A 28 10.271 -5.632 -5.762 1.00 0.47 H new ATOM 0 HG22 ILE A 28 11.042 -6.574 -7.060 1.00 0.47 H new ATOM 0 HG23 ILE A 28 12.044 -5.776 -5.824 1.00 0.47 H new ATOM 0 HD11 ILE A 28 12.471 -2.200 -4.941 1.00 1.27 H new ATOM 0 HD12 ILE A 28 12.522 -3.977 -4.863 1.00 1.27 H new ATOM 0 HD13 ILE A 28 13.394 -3.118 -6.155 1.00 1.27 H new ATOM 407 N PRO A 29 13.217 -6.808 -8.540 1.00 0.49 N ATOM 408 CA PRO A 29 13.314 -8.121 -9.189 1.00 0.65 C ATOM 409 C PRO A 29 11.965 -8.825 -9.300 1.00 0.73 C ATOM 410 O PRO A 29 11.213 -8.908 -8.329 1.00 0.77 O ATOM 411 CB PRO A 29 14.253 -8.916 -8.273 1.00 0.75 C ATOM 412 CG PRO A 29 14.283 -8.161 -6.988 1.00 0.74 C ATOM 413 CD PRO A 29 14.088 -6.721 -7.358 1.00 0.51 C ATOM 0 HA PRO A 29 13.673 -8.031 -10.214 1.00 0.65 H new ATOM 0 HB2 PRO A 29 13.889 -9.932 -8.123 1.00 0.75 H new ATOM 0 HB3 PRO A 29 15.250 -8.995 -8.706 1.00 0.75 H new ATOM 0 HG2 PRO A 29 13.496 -8.502 -6.315 1.00 0.74 H new ATOM 0 HG3 PRO A 29 15.231 -8.307 -6.470 1.00 0.74 H new ATOM 0 HD2 PRO A 29 13.622 -6.155 -6.552 1.00 0.51 H new ATOM 0 HD3 PRO A 29 15.034 -6.230 -7.587 1.00 0.51 H new ATOM 421 N GLU A 30 11.680 -9.338 -10.495 1.00 0.83 N ATOM 422 CA GLU A 30 10.435 -10.057 -10.761 1.00 0.95 C ATOM 423 C GLU A 30 9.209 -9.175 -10.547 1.00 0.84 C ATOM 424 O GLU A 30 8.083 -9.668 -10.548 1.00 1.18 O ATOM 425 CB GLU A 30 10.334 -11.289 -9.860 1.00 1.17 C ATOM 426 CG GLU A 30 11.495 -12.256 -10.011 1.00 1.47 C ATOM 427 CD GLU A 30 11.604 -12.822 -11.414 1.00 2.16 C ATOM 428 OE1 GLU A 30 10.635 -13.464 -11.872 1.00 2.84 O ATOM 429 OE2 GLU A 30 12.659 -12.624 -12.054 1.00 2.65 O ATOM 0 H GLU A 30 12.301 -9.268 -11.302 1.00 0.83 H new ATOM 0 HA GLU A 30 10.456 -10.361 -11.808 1.00 0.95 H new ATOM 0 HB2 GLU A 30 10.277 -10.964 -8.821 1.00 1.17 H new ATOM 0 HB3 GLU A 30 9.405 -11.814 -10.081 1.00 1.17 H new ATOM 0 HG2 GLU A 30 12.424 -11.746 -9.756 1.00 1.47 H new ATOM 0 HG3 GLU A 30 11.376 -13.075 -9.301 1.00 1.47 H new ATOM 436 N SER A 31 9.423 -7.878 -10.356 1.00 0.60 N ATOM 437 CA SER A 31 8.313 -6.958 -10.131 1.00 0.54 C ATOM 438 C SER A 31 8.076 -6.061 -11.337 1.00 0.47 C ATOM 439 O SER A 31 9.021 -5.602 -11.979 1.00 0.59 O ATOM 440 CB SER A 31 8.569 -6.111 -8.886 1.00 0.57 C ATOM 441 OG SER A 31 8.746 -6.931 -7.743 1.00 1.37 O ATOM 0 H SER A 31 10.345 -7.442 -10.352 1.00 0.60 H new ATOM 0 HA SER A 31 7.414 -7.555 -9.978 1.00 0.54 H new ATOM 0 HB2 SER A 31 9.455 -5.494 -9.037 1.00 0.57 H new ATOM 0 HB3 SER A 31 7.732 -5.432 -8.725 1.00 0.57 H new ATOM 0 HG SER A 31 8.257 -7.771 -7.864 1.00 1.37 H new ATOM 447 N HIS A 32 6.804 -5.821 -11.644 1.00 0.38 N ATOM 448 CA HIS A 32 6.438 -4.982 -12.783 1.00 0.42 C ATOM 449 C HIS A 32 5.038 -4.401 -12.613 1.00 0.39 C ATOM 450 O HIS A 32 4.048 -5.101 -12.799 1.00 0.39 O ATOM 451 CB HIS A 32 6.498 -5.811 -14.067 1.00 0.52 C ATOM 452 CG HIS A 32 6.355 -5.007 -15.326 1.00 1.10 C ATOM 453 ND1 HIS A 32 6.302 -5.581 -16.578 1.00 1.90 N ATOM 454 CD2 HIS A 32 6.258 -3.669 -15.524 1.00 1.90 C ATOM 455 CE1 HIS A 32 6.182 -4.635 -17.492 1.00 2.46 C ATOM 456 NE2 HIS A 32 6.152 -3.467 -16.879 1.00 2.42 N ATOM 0 H HIS A 32 6.011 -6.194 -11.122 1.00 0.38 H new ATOM 0 HA HIS A 32 7.145 -4.154 -12.841 1.00 0.42 H new ATOM 0 HB2 HIS A 32 7.447 -6.346 -14.097 1.00 0.52 H new ATOM 0 HB3 HIS A 32 5.709 -6.563 -14.038 1.00 0.52 H new ATOM 0 HD2 HIS A 32 6.263 -2.906 -14.760 1.00 1.90 H new ATOM 0 HE1 HIS A 32 6.119 -4.791 -18.559 1.00 2.46 H new ATOM 0 HE2 HIS A 32 6.064 -2.560 -17.337 1.00 2.42 H new ATOM 465 N ILE A 33 4.954 -3.120 -12.267 1.00 0.42 N ATOM 466 CA ILE A 33 3.659 -2.472 -12.083 1.00 0.42 C ATOM 467 C ILE A 33 2.825 -2.513 -13.360 1.00 0.41 C ATOM 468 O ILE A 33 3.316 -2.219 -14.449 1.00 0.48 O ATOM 469 CB ILE A 33 3.810 -1.012 -11.592 1.00 0.51 C ATOM 470 CG1 ILE A 33 4.079 -1.005 -10.088 1.00 0.61 C ATOM 471 CG2 ILE A 33 2.566 -0.195 -11.923 1.00 0.79 C ATOM 472 CD1 ILE A 33 4.146 0.382 -9.484 1.00 0.70 C ATOM 0 H ILE A 33 5.759 -2.514 -12.109 1.00 0.42 H new ATOM 0 HA ILE A 33 3.136 -3.037 -11.311 1.00 0.42 H new ATOM 0 HB ILE A 33 4.653 -0.551 -12.107 1.00 0.51 H new ATOM 0 HG12 ILE A 33 3.295 -1.572 -9.586 1.00 0.61 H new ATOM 0 HG13 ILE A 33 5.019 -1.521 -9.894 1.00 0.61 H new ATOM 0 HG21 ILE A 33 2.697 0.827 -11.568 1.00 0.79 H new ATOM 0 HG22 ILE A 33 2.412 -0.187 -13.002 1.00 0.79 H new ATOM 0 HG23 ILE A 33 1.698 -0.640 -11.436 1.00 0.79 H new ATOM 0 HD11 ILE A 33 4.340 0.304 -8.414 1.00 0.70 H new ATOM 0 HD12 ILE A 33 4.949 0.947 -9.958 1.00 0.70 H new ATOM 0 HD13 ILE A 33 3.198 0.895 -9.644 1.00 0.70 H new ATOM 484 N LEU A 34 1.558 -2.890 -13.207 1.00 0.39 N ATOM 485 CA LEU A 34 0.637 -2.984 -14.335 1.00 0.40 C ATOM 486 C LEU A 34 -0.296 -1.778 -14.391 1.00 0.37 C ATOM 487 O LEU A 34 -0.193 -0.945 -15.292 1.00 0.50 O ATOM 488 CB LEU A 34 -0.182 -4.276 -14.240 1.00 0.43 C ATOM 489 CG LEU A 34 -1.244 -4.459 -15.327 1.00 0.66 C ATOM 490 CD1 LEU A 34 -0.603 -4.487 -16.707 1.00 1.42 C ATOM 491 CD2 LEU A 34 -2.041 -5.732 -15.079 1.00 1.39 C ATOM 0 H LEU A 34 1.145 -3.136 -12.308 1.00 0.39 H new ATOM 0 HA LEU A 34 1.228 -2.998 -15.251 1.00 0.40 H new ATOM 0 HB2 LEU A 34 0.502 -5.124 -14.277 1.00 0.43 H new ATOM 0 HB3 LEU A 34 -0.673 -4.305 -13.267 1.00 0.43 H new ATOM 0 HG LEU A 34 -1.927 -3.610 -15.288 1.00 0.66 H new ATOM 0 HD11 LEU A 34 -1.376 -4.618 -17.465 1.00 1.42 H new ATOM 0 HD12 LEU A 34 -0.077 -3.548 -16.883 1.00 1.42 H new ATOM 0 HD13 LEU A 34 0.104 -5.315 -16.763 1.00 1.42 H new ATOM 0 HD21 LEU A 34 -2.792 -5.849 -15.860 1.00 1.39 H new ATOM 0 HD22 LEU A 34 -1.369 -6.590 -15.091 1.00 1.39 H new ATOM 0 HD23 LEU A 34 -2.533 -5.670 -14.108 1.00 1.39 H new ATOM 503 N THR A 35 -1.211 -1.690 -13.426 1.00 0.30 N ATOM 504 CA THR A 35 -2.162 -0.585 -13.378 1.00 0.33 C ATOM 505 C THR A 35 -1.837 0.354 -12.219 1.00 0.34 C ATOM 506 O THR A 35 -0.998 0.043 -11.374 1.00 0.44 O ATOM 507 CB THR A 35 -3.589 -1.120 -13.228 1.00 0.39 C ATOM 508 OG1 THR A 35 -3.765 -2.293 -13.999 1.00 0.97 O ATOM 509 CG2 THR A 35 -4.653 -0.135 -13.663 1.00 0.93 C ATOM 0 H THR A 35 -1.312 -2.368 -12.671 1.00 0.30 H new ATOM 0 HA THR A 35 -2.086 -0.028 -14.312 1.00 0.33 H new ATOM 0 HB THR A 35 -3.709 -1.316 -12.162 1.00 0.39 H new ATOM 0 HG1 THR A 35 -4.682 -2.622 -13.890 1.00 0.97 H new ATOM 0 HG21 THR A 35 -5.638 -0.581 -13.529 1.00 0.93 H new ATOM 0 HG22 THR A 35 -4.579 0.770 -13.060 1.00 0.93 H new ATOM 0 HG23 THR A 35 -4.508 0.116 -14.714 1.00 0.93 H new ATOM 517 N VAL A 36 -2.511 1.499 -12.188 1.00 0.33 N ATOM 518 CA VAL A 36 -2.306 2.491 -11.138 1.00 0.39 C ATOM 519 C VAL A 36 -3.604 3.235 -10.833 1.00 0.36 C ATOM 520 O VAL A 36 -4.372 3.555 -11.740 1.00 0.38 O ATOM 521 CB VAL A 36 -1.226 3.520 -11.538 1.00 0.51 C ATOM 522 CG1 VAL A 36 -1.061 4.578 -10.456 1.00 1.05 C ATOM 523 CG2 VAL A 36 0.101 2.831 -11.818 1.00 1.21 C ATOM 0 H VAL A 36 -3.209 1.764 -12.883 1.00 0.33 H new ATOM 0 HA VAL A 36 -1.974 1.952 -10.251 1.00 0.39 H new ATOM 0 HB VAL A 36 -1.554 4.014 -12.453 1.00 0.51 H new ATOM 0 HG11 VAL A 36 -0.295 5.292 -10.759 1.00 1.05 H new ATOM 0 HG12 VAL A 36 -2.007 5.100 -10.310 1.00 1.05 H new ATOM 0 HG13 VAL A 36 -0.763 4.100 -9.523 1.00 1.05 H new ATOM 0 HG21 VAL A 36 0.846 3.576 -12.098 1.00 1.21 H new ATOM 0 HG22 VAL A 36 0.433 2.304 -10.924 1.00 1.21 H new ATOM 0 HG23 VAL A 36 -0.024 2.119 -12.634 1.00 1.21 H new ATOM 533 N SER A 37 -3.840 3.514 -9.554 1.00 0.35 N ATOM 534 CA SER A 37 -5.046 4.226 -9.143 1.00 0.35 C ATOM 535 C SER A 37 -4.883 5.728 -9.398 1.00 0.40 C ATOM 536 O SER A 37 -4.348 6.127 -10.434 1.00 0.72 O ATOM 537 CB SER A 37 -5.350 3.953 -7.665 1.00 0.36 C ATOM 538 OG SER A 37 -6.584 4.534 -7.278 1.00 1.35 O ATOM 0 H SER A 37 -3.216 3.260 -8.788 1.00 0.35 H new ATOM 0 HA SER A 37 -5.888 3.866 -9.734 1.00 0.35 H new ATOM 0 HB2 SER A 37 -5.381 2.878 -7.490 1.00 0.36 H new ATOM 0 HB3 SER A 37 -4.547 4.353 -7.046 1.00 0.36 H new ATOM 0 HG SER A 37 -7.200 4.533 -8.041 1.00 1.35 H new ATOM 544 N SER A 38 -5.337 6.557 -8.461 1.00 0.43 N ATOM 545 CA SER A 38 -5.226 8.004 -8.606 1.00 0.45 C ATOM 546 C SER A 38 -4.760 8.642 -7.302 1.00 0.47 C ATOM 547 O SER A 38 -4.465 7.943 -6.335 1.00 0.70 O ATOM 548 CB SER A 38 -6.566 8.604 -9.036 1.00 0.50 C ATOM 549 OG SER A 38 -6.987 8.074 -10.283 1.00 1.19 O ATOM 0 H SER A 38 -5.784 6.252 -7.596 1.00 0.43 H new ATOM 0 HA SER A 38 -4.485 8.212 -9.378 1.00 0.45 H new ATOM 0 HB2 SER A 38 -7.320 8.398 -8.277 1.00 0.50 H new ATOM 0 HB3 SER A 38 -6.476 9.688 -9.110 1.00 0.50 H new ATOM 0 HG SER A 38 -7.846 8.472 -10.534 1.00 1.19 H new ATOM 555 N PHE A 39 -4.700 9.969 -7.278 1.00 0.38 N ATOM 556 CA PHE A 39 -4.272 10.685 -6.083 1.00 0.43 C ATOM 557 C PHE A 39 -5.473 11.057 -5.222 1.00 0.40 C ATOM 558 O PHE A 39 -6.450 11.620 -5.715 1.00 0.65 O ATOM 559 CB PHE A 39 -3.457 11.926 -6.471 1.00 0.59 C ATOM 560 CG PHE A 39 -4.109 12.808 -7.502 1.00 1.42 C ATOM 561 CD1 PHE A 39 -5.144 13.664 -7.157 1.00 2.21 C ATOM 562 CD2 PHE A 39 -3.683 12.780 -8.820 1.00 1.93 C ATOM 563 CE1 PHE A 39 -5.738 14.474 -8.105 1.00 3.01 C ATOM 564 CE2 PHE A 39 -4.274 13.586 -9.773 1.00 2.75 C ATOM 565 CZ PHE A 39 -5.305 14.434 -9.415 1.00 3.17 C ATOM 0 H PHE A 39 -4.941 10.567 -8.068 1.00 0.38 H new ATOM 0 HA PHE A 39 -3.631 10.031 -5.492 1.00 0.43 H new ATOM 0 HB2 PHE A 39 -3.269 12.516 -5.574 1.00 0.59 H new ATOM 0 HB3 PHE A 39 -2.487 11.604 -6.849 1.00 0.59 H new ATOM 0 HD1 PHE A 39 -5.490 13.698 -6.134 1.00 2.21 H new ATOM 0 HD2 PHE A 39 -2.878 12.119 -9.106 1.00 1.93 H new ATOM 0 HE1 PHE A 39 -6.541 15.138 -7.821 1.00 3.01 H new ATOM 0 HE2 PHE A 39 -3.931 13.554 -10.797 1.00 2.75 H new ATOM 0 HZ PHE A 39 -5.771 15.064 -10.158 1.00 3.17 H new ATOM 575 N TYR A 40 -5.414 10.717 -3.934 1.00 0.38 N ATOM 576 CA TYR A 40 -6.522 11.008 -3.037 1.00 0.37 C ATOM 577 C TYR A 40 -6.062 11.687 -1.749 1.00 0.40 C ATOM 578 O TYR A 40 -4.929 11.507 -1.301 1.00 0.53 O ATOM 579 CB TYR A 40 -7.298 9.735 -2.704 1.00 0.44 C ATOM 580 CG TYR A 40 -7.868 9.019 -3.913 1.00 0.49 C ATOM 581 CD1 TYR A 40 -7.060 8.278 -4.774 1.00 0.49 C ATOM 582 CD2 TYR A 40 -9.228 9.079 -4.185 1.00 0.59 C ATOM 583 CE1 TYR A 40 -7.596 7.630 -5.869 1.00 0.57 C ATOM 584 CE2 TYR A 40 -9.770 8.430 -5.278 1.00 0.67 C ATOM 585 CZ TYR A 40 -8.949 7.711 -6.119 1.00 0.66 C ATOM 586 OH TYR A 40 -9.485 7.064 -7.208 1.00 0.76 O ATOM 0 H TYR A 40 -4.621 10.247 -3.497 1.00 0.38 H new ATOM 0 HA TYR A 40 -7.177 11.703 -3.562 1.00 0.37 H new ATOM 0 HB2 TYR A 40 -6.639 9.051 -2.168 1.00 0.44 H new ATOM 0 HB3 TYR A 40 -8.114 9.987 -2.027 1.00 0.44 H new ATOM 0 HD1 TYR A 40 -5.999 8.210 -4.582 1.00 0.49 H new ATOM 0 HD2 TYR A 40 -9.875 9.644 -3.530 1.00 0.59 H new ATOM 0 HE1 TYR A 40 -6.957 7.061 -6.528 1.00 0.57 H new ATOM 0 HE2 TYR A 40 -10.831 8.486 -5.472 1.00 0.67 H new ATOM 0 HH TYR A 40 -10.452 7.222 -7.239 1.00 0.76 H new ATOM 596 N ARG A 41 -6.968 12.469 -1.166 1.00 0.43 N ATOM 597 CA ARG A 41 -6.702 13.194 0.073 1.00 0.50 C ATOM 598 C ARG A 41 -7.243 12.417 1.270 1.00 0.54 C ATOM 599 O ARG A 41 -8.383 11.954 1.250 1.00 0.67 O ATOM 600 CB ARG A 41 -7.364 14.570 0.004 1.00 0.66 C ATOM 601 CG ARG A 41 -6.889 15.546 1.063 1.00 0.69 C ATOM 602 CD ARG A 41 -7.598 16.884 0.921 1.00 0.94 C ATOM 603 NE ARG A 41 -7.365 17.767 2.062 1.00 1.56 N ATOM 604 CZ ARG A 41 -7.827 17.531 3.287 1.00 2.07 C ATOM 605 NH1 ARG A 41 -8.521 16.426 3.537 1.00 2.32 N ATOM 606 NH2 ARG A 41 -7.594 18.396 4.263 1.00 2.95 N ATOM 0 H ARG A 41 -7.906 12.617 -1.539 1.00 0.43 H new ATOM 0 HA ARG A 41 -5.625 13.311 0.195 1.00 0.50 H new ATOM 0 HB2 ARG A 41 -7.178 15.001 -0.980 1.00 0.66 H new ATOM 0 HB3 ARG A 41 -8.443 14.446 0.099 1.00 0.66 H new ATOM 0 HG2 ARG A 41 -7.076 15.133 2.054 1.00 0.69 H new ATOM 0 HG3 ARG A 41 -5.812 15.689 0.975 1.00 0.69 H new ATOM 0 HD2 ARG A 41 -7.258 17.376 0.010 1.00 0.94 H new ATOM 0 HD3 ARG A 41 -8.669 16.714 0.811 1.00 0.94 H new ATOM 0 HE ARG A 41 -6.816 18.613 1.910 1.00 1.56 H new ATOM 0 HH11 ARG A 41 -8.701 15.756 2.789 1.00 2.32 H new ATOM 0 HH12 ARG A 41 -8.874 16.247 4.477 1.00 2.32 H new ATOM 0 HH21 ARG A 41 -7.060 19.244 4.076 1.00 2.95 H new ATOM 0 HH22 ARG A 41 -7.949 18.214 5.202 1.00 2.95 H new ATOM 620 N THR A 42 -6.421 12.262 2.308 1.00 0.61 N ATOM 621 CA THR A 42 -6.840 11.523 3.497 1.00 0.73 C ATOM 622 C THR A 42 -5.887 11.746 4.672 1.00 0.84 C ATOM 623 O THR A 42 -4.705 12.024 4.477 1.00 1.10 O ATOM 624 CB THR A 42 -6.916 10.032 3.169 1.00 0.81 C ATOM 625 OG1 THR A 42 -7.092 9.265 4.347 1.00 1.30 O ATOM 626 CG2 THR A 42 -5.688 9.513 2.461 1.00 1.28 C ATOM 0 H THR A 42 -5.472 12.634 2.350 1.00 0.61 H new ATOM 0 HA THR A 42 -7.822 11.893 3.794 1.00 0.73 H new ATOM 0 HB THR A 42 -7.771 9.928 2.501 1.00 0.81 H new ATOM 0 HG1 THR A 42 -6.681 8.384 4.228 1.00 1.30 H new ATOM 0 HG21 THR A 42 -5.808 8.449 2.258 1.00 1.28 H new ATOM 0 HG22 THR A 42 -5.556 10.049 1.521 1.00 1.28 H new ATOM 0 HG23 THR A 42 -4.812 9.666 3.092 1.00 1.28 H new ATOM 634 N PRO A 43 -6.391 11.618 5.918 1.00 0.74 N ATOM 635 CA PRO A 43 -5.574 11.795 7.125 1.00 0.86 C ATOM 636 C PRO A 43 -4.521 10.695 7.276 1.00 0.90 C ATOM 637 O PRO A 43 -4.852 9.509 7.316 1.00 0.94 O ATOM 638 CB PRO A 43 -6.593 11.717 8.266 1.00 0.98 C ATOM 639 CG PRO A 43 -7.730 10.938 7.708 1.00 0.87 C ATOM 640 CD PRO A 43 -7.792 11.287 6.248 1.00 0.71 C ATOM 0 HA PRO A 43 -5.014 12.730 7.102 1.00 0.86 H new ATOM 0 HB2 PRO A 43 -6.169 11.226 9.142 1.00 0.98 H new ATOM 0 HB3 PRO A 43 -6.911 12.711 8.581 1.00 0.98 H new ATOM 0 HG2 PRO A 43 -7.576 9.868 7.847 1.00 0.87 H new ATOM 0 HG3 PRO A 43 -8.663 11.194 8.211 1.00 0.87 H new ATOM 0 HD2 PRO A 43 -8.160 10.453 5.650 1.00 0.71 H new ATOM 0 HD3 PRO A 43 -8.459 12.130 6.064 1.00 0.71 H new ATOM 648 N PRO A 44 -3.232 11.079 7.347 1.00 0.98 N ATOM 649 CA PRO A 44 -2.111 10.132 7.479 1.00 1.12 C ATOM 650 C PRO A 44 -2.341 9.033 8.513 1.00 1.19 C ATOM 651 O PRO A 44 -1.905 7.897 8.319 1.00 2.06 O ATOM 652 CB PRO A 44 -0.961 11.042 7.904 1.00 1.28 C ATOM 653 CG PRO A 44 -1.260 12.331 7.227 1.00 1.18 C ATOM 654 CD PRO A 44 -2.756 12.477 7.285 1.00 1.03 C ATOM 0 HA PRO A 44 -1.942 9.579 6.555 1.00 1.12 H new ATOM 0 HB2 PRO A 44 -0.922 11.159 8.987 1.00 1.28 H new ATOM 0 HB3 PRO A 44 0.003 10.640 7.592 1.00 1.28 H new ATOM 0 HG2 PRO A 44 -0.765 13.162 7.729 1.00 1.18 H new ATOM 0 HG3 PRO A 44 -0.906 12.324 6.196 1.00 1.18 H new ATOM 0 HD2 PRO A 44 -3.071 13.048 8.158 1.00 1.03 H new ATOM 0 HD3 PRO A 44 -3.144 12.995 6.408 1.00 1.03 H new ATOM 662 N LEU A 45 -3.018 9.368 9.607 1.00 0.99 N ATOM 663 CA LEU A 45 -3.290 8.397 10.666 1.00 1.03 C ATOM 664 C LEU A 45 -1.985 7.895 11.281 1.00 1.08 C ATOM 665 O LEU A 45 -1.395 6.932 10.797 1.00 1.32 O ATOM 666 CB LEU A 45 -4.096 7.218 10.117 1.00 1.15 C ATOM 667 CG LEU A 45 -4.546 6.192 11.159 1.00 1.53 C ATOM 668 CD1 LEU A 45 -5.489 6.832 12.169 1.00 1.83 C ATOM 669 CD2 LEU A 45 -5.213 5.003 10.483 1.00 2.21 C ATOM 0 H LEU A 45 -3.388 10.302 9.785 1.00 0.99 H new ATOM 0 HA LEU A 45 -3.875 8.893 11.441 1.00 1.03 H new ATOM 0 HB2 LEU A 45 -4.979 7.607 9.610 1.00 1.15 H new ATOM 0 HB3 LEU A 45 -3.495 6.707 9.364 1.00 1.15 H new ATOM 0 HG LEU A 45 -3.665 5.835 11.692 1.00 1.53 H new ATOM 0 HD11 LEU A 45 -5.798 6.086 12.902 1.00 1.83 H new ATOM 0 HD12 LEU A 45 -4.978 7.650 12.677 1.00 1.83 H new ATOM 0 HD13 LEU A 45 -6.367 7.219 11.652 1.00 1.83 H new ATOM 0 HD21 LEU A 45 -5.527 4.283 11.239 1.00 2.21 H new ATOM 0 HD22 LEU A 45 -6.084 5.344 9.923 1.00 2.21 H new ATOM 0 HD23 LEU A 45 -4.507 4.529 9.802 1.00 2.21 H new ATOM 681 N GLY A 46 -1.538 8.560 12.342 1.00 1.09 N ATOM 682 CA GLY A 46 -0.302 8.173 12.999 1.00 1.18 C ATOM 683 C GLY A 46 0.336 9.318 13.774 1.00 1.11 C ATOM 684 O GLY A 46 -0.370 10.167 14.317 1.00 1.19 O ATOM 0 H GLY A 46 -2.011 9.362 12.759 1.00 1.09 H new ATOM 0 HA2 GLY A 46 -0.501 7.346 13.680 1.00 1.18 H new ATOM 0 HA3 GLY A 46 0.403 7.808 12.252 1.00 1.18 H new ATOM 688 N PRO A 47 1.678 9.340 13.883 1.00 1.12 N ATOM 689 CA PRO A 47 2.406 10.347 14.642 1.00 1.16 C ATOM 690 C PRO A 47 3.094 11.454 13.832 1.00 1.14 C ATOM 691 O PRO A 47 2.884 12.636 14.096 1.00 1.99 O ATOM 692 CB PRO A 47 3.468 9.489 15.315 1.00 1.36 C ATOM 693 CG PRO A 47 3.691 8.313 14.400 1.00 1.39 C ATOM 694 CD PRO A 47 2.604 8.345 13.352 1.00 1.26 C ATOM 0 HA PRO A 47 1.725 10.909 15.281 1.00 1.16 H new ATOM 0 HB2 PRO A 47 4.390 10.052 15.460 1.00 1.36 H new ATOM 0 HB3 PRO A 47 3.137 9.160 16.300 1.00 1.36 H new ATOM 0 HG2 PRO A 47 4.675 8.370 13.935 1.00 1.39 H new ATOM 0 HG3 PRO A 47 3.657 7.379 14.960 1.00 1.39 H new ATOM 0 HD2 PRO A 47 2.992 8.633 12.375 1.00 1.26 H new ATOM 0 HD3 PRO A 47 2.128 7.372 13.232 1.00 1.26 H new ATOM 702 N GLN A 48 3.973 11.043 12.920 1.00 0.95 N ATOM 703 CA GLN A 48 4.799 11.961 12.107 1.00 0.84 C ATOM 704 C GLN A 48 4.296 13.410 12.067 1.00 0.90 C ATOM 705 O GLN A 48 5.078 14.331 12.303 1.00 1.04 O ATOM 706 CB GLN A 48 5.065 11.423 10.686 1.00 0.83 C ATOM 707 CG GLN A 48 3.864 10.862 9.932 1.00 1.00 C ATOM 708 CD GLN A 48 2.788 11.884 9.651 1.00 1.29 C ATOM 709 OE1 GLN A 48 1.546 11.517 9.925 1.00 2.23 O flip ATOM 710 NE2 GLN A 48 3.065 12.982 9.165 1.00 1.15 N flip ATOM 0 H GLN A 48 4.140 10.058 12.716 1.00 0.95 H new ATOM 0 HA GLN A 48 5.751 11.995 12.637 1.00 0.84 H new ATOM 0 HB2 GLN A 48 5.494 12.229 10.091 1.00 0.83 H new ATOM 0 HB3 GLN A 48 5.820 10.640 10.754 1.00 0.83 H new ATOM 0 HG2 GLN A 48 4.205 10.439 8.987 1.00 1.00 H new ATOM 0 HG3 GLN A 48 3.433 10.045 10.510 1.00 1.00 H new ATOM 0 HE21 GLN A 48 4.037 13.223 8.970 1.00 1.15 H new ATOM 0 HE22 GLN A 48 2.323 13.650 8.958 1.00 1.15 H new ATOM 719 N ASP A 49 3.014 13.623 11.787 1.00 0.99 N ATOM 720 CA ASP A 49 2.468 14.986 11.741 1.00 1.16 C ATOM 721 C ASP A 49 0.986 14.978 11.400 1.00 1.20 C ATOM 722 O ASP A 49 0.210 15.775 11.929 1.00 1.33 O ATOM 723 CB ASP A 49 3.222 15.838 10.718 1.00 1.28 C ATOM 724 CG ASP A 49 2.745 17.276 10.701 1.00 1.51 C ATOM 725 OD1 ASP A 49 2.828 17.941 11.755 1.00 1.81 O ATOM 726 OD2 ASP A 49 2.290 17.741 9.635 1.00 1.70 O ATOM 0 H ASP A 49 2.338 12.885 11.590 1.00 0.99 H new ATOM 0 HA ASP A 49 2.595 15.419 12.733 1.00 1.16 H new ATOM 0 HB2 ASP A 49 4.288 15.814 10.944 1.00 1.28 H new ATOM 0 HB3 ASP A 49 3.097 15.405 9.726 1.00 1.28 H new ATOM 731 N GLN A 50 0.615 14.065 10.516 1.00 1.19 N ATOM 732 CA GLN A 50 -0.766 13.907 10.071 1.00 1.31 C ATOM 733 C GLN A 50 -1.221 15.033 9.139 1.00 1.33 C ATOM 734 O GLN A 50 -2.332 15.546 9.281 1.00 1.40 O ATOM 735 CB GLN A 50 -1.704 13.834 11.267 1.00 1.42 C ATOM 736 CG GLN A 50 -1.251 12.851 12.322 1.00 1.67 C ATOM 737 CD GLN A 50 -1.350 11.425 11.844 1.00 1.43 C ATOM 738 OE1 GLN A 50 -2.446 10.902 11.662 1.00 2.03 O ATOM 739 NE2 GLN A 50 -0.201 10.801 11.614 1.00 1.24 N ATOM 0 H GLN A 50 1.265 13.408 10.083 1.00 1.19 H new ATOM 0 HA GLN A 50 -0.804 12.975 9.507 1.00 1.31 H new ATOM 0 HB2 GLN A 50 -1.788 14.824 11.715 1.00 1.42 H new ATOM 0 HB3 GLN A 50 -2.700 13.554 10.923 1.00 1.42 H new ATOM 0 HG2 GLN A 50 -0.220 13.069 12.602 1.00 1.67 H new ATOM 0 HG3 GLN A 50 -1.858 12.976 13.219 1.00 1.67 H new ATOM 0 HE21 GLN A 50 0.683 11.282 11.782 1.00 1.24 H new ATOM 0 HE22 GLN A 50 -0.202 9.841 11.269 1.00 1.24 H new ATOM 748 N PRO A 51 -0.387 15.426 8.159 1.00 1.35 N ATOM 749 CA PRO A 51 -0.716 16.464 7.209 1.00 1.46 C ATOM 750 C PRO A 51 -1.182 15.873 5.884 1.00 1.54 C ATOM 751 O PRO A 51 -0.432 15.148 5.230 1.00 2.26 O ATOM 752 CB PRO A 51 0.628 17.155 7.038 1.00 1.52 C ATOM 753 CG PRO A 51 1.638 16.055 7.188 1.00 1.53 C ATOM 754 CD PRO A 51 0.945 14.894 7.869 1.00 1.37 C ATOM 0 HA PRO A 51 -1.525 17.118 7.535 1.00 1.46 H new ATOM 0 HB2 PRO A 51 0.706 17.635 6.063 1.00 1.52 H new ATOM 0 HB3 PRO A 51 0.773 17.932 7.788 1.00 1.52 H new ATOM 0 HG2 PRO A 51 2.025 15.754 6.214 1.00 1.53 H new ATOM 0 HG3 PRO A 51 2.489 16.394 7.778 1.00 1.53 H new ATOM 0 HD2 PRO A 51 0.897 14.018 7.222 1.00 1.37 H new ATOM 0 HD3 PRO A 51 1.465 14.591 8.778 1.00 1.37 H new ATOM 762 N ASP A 52 -2.423 16.179 5.515 1.00 1.24 N ATOM 763 CA ASP A 52 -3.034 15.686 4.275 1.00 1.23 C ATOM 764 C ASP A 52 -1.984 15.188 3.288 1.00 0.91 C ATOM 765 O ASP A 52 -1.398 15.967 2.539 1.00 1.55 O ATOM 766 CB ASP A 52 -3.871 16.791 3.634 1.00 1.67 C ATOM 767 CG ASP A 52 -4.904 17.354 4.589 1.00 2.16 C ATOM 768 OD1 ASP A 52 -5.739 16.570 5.089 1.00 2.69 O ATOM 769 OD2 ASP A 52 -4.880 18.578 4.837 1.00 2.56 O ATOM 0 H ASP A 52 -3.038 16.777 6.066 1.00 1.24 H new ATOM 0 HA ASP A 52 -3.675 14.842 4.531 1.00 1.23 H new ATOM 0 HB2 ASP A 52 -3.214 17.593 3.298 1.00 1.67 H new ATOM 0 HB3 ASP A 52 -4.372 16.398 2.750 1.00 1.67 H new ATOM 774 N TYR A 53 -1.744 13.881 3.310 1.00 0.76 N ATOM 775 CA TYR A 53 -0.754 13.267 2.436 1.00 1.08 C ATOM 776 C TYR A 53 -1.395 12.792 1.140 1.00 0.87 C ATOM 777 O TYR A 53 -2.540 13.130 0.842 1.00 0.98 O ATOM 778 CB TYR A 53 -0.078 12.090 3.148 1.00 1.83 C ATOM 779 CG TYR A 53 -0.951 10.861 3.276 1.00 2.62 C ATOM 780 CD1 TYR A 53 -1.976 10.814 4.211 1.00 3.26 C ATOM 781 CD2 TYR A 53 -0.747 9.750 2.471 1.00 3.32 C ATOM 782 CE1 TYR A 53 -2.774 9.693 4.338 1.00 4.34 C ATOM 783 CE2 TYR A 53 -1.542 8.627 2.592 1.00 4.46 C ATOM 784 CZ TYR A 53 -2.558 8.606 3.500 1.00 4.90 C ATOM 785 OH TYR A 53 -3.342 7.486 3.645 1.00 6.13 O ATOM 0 H TYR A 53 -2.224 13.225 3.926 1.00 0.76 H new ATOM 0 HA TYR A 53 -0.002 14.018 2.193 1.00 1.08 H new ATOM 0 HB2 TYR A 53 0.829 11.823 2.605 1.00 1.83 H new ATOM 0 HB3 TYR A 53 0.229 12.410 4.144 1.00 1.83 H new ATOM 0 HD1 TYR A 53 -2.153 11.667 4.849 1.00 3.26 H new ATOM 0 HD2 TYR A 53 0.046 9.763 1.738 1.00 3.32 H new ATOM 0 HE1 TYR A 53 -3.557 9.662 5.081 1.00 4.34 H new ATOM 0 HE2 TYR A 53 -1.358 7.766 1.967 1.00 4.46 H new ATOM 0 HH TYR A 53 -3.295 6.946 2.829 1.00 6.13 H new ATOM 795 N LEU A 54 -0.650 12.005 0.373 1.00 0.72 N ATOM 796 CA LEU A 54 -1.150 11.485 -0.890 1.00 0.59 C ATOM 797 C LEU A 54 -1.018 9.965 -0.934 1.00 0.61 C ATOM 798 O LEU A 54 0.053 9.421 -0.669 1.00 0.88 O ATOM 799 CB LEU A 54 -0.386 12.106 -2.056 1.00 0.60 C ATOM 800 CG LEU A 54 -1.042 11.917 -3.417 1.00 0.54 C ATOM 801 CD1 LEU A 54 -2.213 12.874 -3.567 1.00 0.92 C ATOM 802 CD2 LEU A 54 -0.028 12.117 -4.535 1.00 1.10 C ATOM 0 H LEU A 54 0.300 11.715 0.604 1.00 0.72 H new ATOM 0 HA LEU A 54 -2.205 11.747 -0.975 1.00 0.59 H new ATOM 0 HB2 LEU A 54 -0.269 13.173 -1.869 1.00 0.60 H new ATOM 0 HB3 LEU A 54 0.615 11.676 -2.087 1.00 0.60 H new ATOM 0 HG LEU A 54 -1.418 10.896 -3.487 1.00 0.54 H new ATOM 0 HD11 LEU A 54 -2.676 12.732 -4.543 1.00 0.92 H new ATOM 0 HD12 LEU A 54 -2.946 12.677 -2.785 1.00 0.92 H new ATOM 0 HD13 LEU A 54 -1.857 13.901 -3.480 1.00 0.92 H new ATOM 0 HD21 LEU A 54 -0.517 11.978 -5.499 1.00 1.10 H new ATOM 0 HD22 LEU A 54 0.382 13.125 -4.478 1.00 1.10 H new ATOM 0 HD23 LEU A 54 0.778 11.391 -4.429 1.00 1.10 H new ATOM 814 N ASN A 55 -2.110 9.284 -1.272 1.00 0.50 N ATOM 815 CA ASN A 55 -2.099 7.825 -1.347 1.00 0.58 C ATOM 816 C ASN A 55 -2.652 7.331 -2.678 1.00 0.57 C ATOM 817 O ASN A 55 -3.355 8.061 -3.382 1.00 0.70 O ATOM 818 CB ASN A 55 -2.902 7.217 -0.195 1.00 0.82 C ATOM 819 CG ASN A 55 -4.358 7.657 -0.169 1.00 1.80 C ATOM 820 OD1 ASN A 55 -4.739 8.557 -1.069 1.00 2.63 O flip ATOM 821 ND2 ASN A 55 -5.133 7.191 0.664 1.00 2.49 N flip ATOM 0 H ASN A 55 -3.007 9.714 -1.497 1.00 0.50 H new ATOM 0 HA ASN A 55 -1.061 7.504 -1.266 1.00 0.58 H new ATOM 0 HB2 ASN A 55 -2.861 6.130 -0.268 1.00 0.82 H new ATOM 0 HB3 ASN A 55 -2.431 7.491 0.749 1.00 0.82 H new ATOM 0 HD21 ASN A 55 -4.802 6.501 1.339 1.00 2.49 H new ATOM 0 HD22 ASN A 55 -6.107 7.494 0.680 1.00 2.49 H new ATOM 828 N ALA A 56 -2.331 6.085 -3.011 1.00 0.51 N ATOM 829 CA ALA A 56 -2.790 5.476 -4.256 1.00 0.57 C ATOM 830 C ALA A 56 -2.323 4.031 -4.370 1.00 0.54 C ATOM 831 O ALA A 56 -1.125 3.770 -4.471 1.00 0.75 O ATOM 832 CB ALA A 56 -2.287 6.275 -5.450 1.00 0.61 C ATOM 0 H ALA A 56 -1.752 5.475 -2.434 1.00 0.51 H new ATOM 0 HA ALA A 56 -3.880 5.484 -4.249 1.00 0.57 H new ATOM 0 HB1 ALA A 56 -2.636 5.810 -6.372 1.00 0.61 H new ATOM 0 HB2 ALA A 56 -2.667 7.295 -5.391 1.00 0.61 H new ATOM 0 HB3 ALA A 56 -1.197 6.293 -5.443 1.00 0.61 H new ATOM 838 N ALA A 57 -3.268 3.094 -4.367 1.00 0.31 N ATOM 839 CA ALA A 57 -2.919 1.683 -4.486 1.00 0.29 C ATOM 840 C ALA A 57 -2.479 1.361 -5.911 1.00 0.29 C ATOM 841 O ALA A 57 -2.879 2.043 -6.855 1.00 0.39 O ATOM 842 CB ALA A 57 -4.097 0.812 -4.084 1.00 0.33 C ATOM 0 H ALA A 57 -4.267 3.283 -4.285 1.00 0.31 H new ATOM 0 HA ALA A 57 -2.087 1.473 -3.813 1.00 0.29 H new ATOM 0 HB1 ALA A 57 -3.822 -0.238 -4.178 1.00 0.33 H new ATOM 0 HB2 ALA A 57 -4.371 1.024 -3.050 1.00 0.33 H new ATOM 0 HB3 ALA A 57 -4.945 1.024 -4.735 1.00 0.33 H new ATOM 848 N VAL A 58 -1.660 0.319 -6.069 1.00 0.26 N ATOM 849 CA VAL A 58 -1.184 -0.079 -7.393 1.00 0.27 C ATOM 850 C VAL A 58 -0.924 -1.582 -7.479 1.00 0.27 C ATOM 851 O VAL A 58 -0.185 -2.141 -6.667 1.00 0.28 O ATOM 852 CB VAL A 58 0.106 0.665 -7.792 1.00 0.31 C ATOM 853 CG1 VAL A 58 -0.170 2.141 -8.028 1.00 1.20 C ATOM 854 CG2 VAL A 58 1.182 0.483 -6.732 1.00 0.98 C ATOM 0 H VAL A 58 -1.316 -0.260 -5.303 1.00 0.26 H new ATOM 0 HA VAL A 58 -1.982 0.189 -8.085 1.00 0.27 H new ATOM 0 HB VAL A 58 0.469 0.235 -8.725 1.00 0.31 H new ATOM 0 HG11 VAL A 58 0.756 2.644 -8.308 1.00 1.20 H new ATOM 0 HG12 VAL A 58 -0.900 2.251 -8.830 1.00 1.20 H new ATOM 0 HG13 VAL A 58 -0.564 2.588 -7.115 1.00 1.20 H new ATOM 0 HG21 VAL A 58 2.084 1.016 -7.034 1.00 0.98 H new ATOM 0 HG22 VAL A 58 0.827 0.880 -5.781 1.00 0.98 H new ATOM 0 HG23 VAL A 58 1.408 -0.578 -6.621 1.00 0.98 H new ATOM 864 N ALA A 59 -1.541 -2.234 -8.466 1.00 0.28 N ATOM 865 CA ALA A 59 -1.374 -3.668 -8.652 1.00 0.29 C ATOM 866 C ALA A 59 -0.046 -3.991 -9.331 1.00 0.31 C ATOM 867 O ALA A 59 0.033 -4.070 -10.559 1.00 0.50 O ATOM 868 CB ALA A 59 -2.525 -4.224 -9.473 1.00 0.31 C ATOM 0 H ALA A 59 -2.159 -1.789 -9.145 1.00 0.28 H new ATOM 0 HA ALA A 59 -1.372 -4.136 -7.668 1.00 0.29 H new ATOM 0 HB1 ALA A 59 -2.391 -5.297 -9.607 1.00 0.31 H new ATOM 0 HB2 ALA A 59 -3.465 -4.037 -8.954 1.00 0.31 H new ATOM 0 HB3 ALA A 59 -2.545 -3.737 -10.448 1.00 0.31 H new ATOM 874 N LEU A 60 0.991 -4.187 -8.524 1.00 0.28 N ATOM 875 CA LEU A 60 2.318 -4.515 -9.040 1.00 0.28 C ATOM 876 C LEU A 60 2.353 -5.948 -9.557 1.00 0.30 C ATOM 877 O LEU A 60 2.259 -6.897 -8.779 1.00 0.33 O ATOM 878 CB LEU A 60 3.377 -4.340 -7.949 1.00 0.29 C ATOM 879 CG LEU A 60 4.784 -4.833 -8.313 1.00 0.29 C ATOM 880 CD1 LEU A 60 5.408 -3.950 -9.378 1.00 0.35 C ATOM 881 CD2 LEU A 60 5.666 -4.884 -7.074 1.00 0.31 C ATOM 0 H LEU A 60 0.939 -4.125 -7.507 1.00 0.28 H new ATOM 0 HA LEU A 60 2.537 -3.834 -9.863 1.00 0.28 H new ATOM 0 HB2 LEU A 60 3.436 -3.283 -7.690 1.00 0.29 H new ATOM 0 HB3 LEU A 60 3.045 -4.869 -7.056 1.00 0.29 H new ATOM 0 HG LEU A 60 4.698 -5.841 -8.718 1.00 0.29 H new ATOM 0 HD11 LEU A 60 6.405 -4.320 -9.619 1.00 0.35 H new ATOM 0 HD12 LEU A 60 4.788 -3.967 -10.274 1.00 0.35 H new ATOM 0 HD13 LEU A 60 5.480 -2.928 -9.007 1.00 0.35 H new ATOM 0 HD21 LEU A 60 6.660 -5.236 -7.349 1.00 0.31 H new ATOM 0 HD22 LEU A 60 5.741 -3.887 -6.640 1.00 0.31 H new ATOM 0 HD23 LEU A 60 5.229 -5.566 -6.344 1.00 0.31 H new ATOM 893 N GLU A 61 2.507 -6.104 -10.863 1.00 0.32 N ATOM 894 CA GLU A 61 2.573 -7.428 -11.459 1.00 0.36 C ATOM 895 C GLU A 61 3.932 -8.037 -11.164 1.00 0.34 C ATOM 896 O GLU A 61 4.897 -7.807 -11.894 1.00 0.36 O ATOM 897 CB GLU A 61 2.347 -7.343 -12.969 1.00 0.43 C ATOM 898 CG GLU A 61 2.116 -8.693 -13.628 1.00 0.52 C ATOM 899 CD GLU A 61 1.834 -8.580 -15.114 1.00 1.37 C ATOM 900 OE1 GLU A 61 1.809 -7.443 -15.630 1.00 1.88 O ATOM 901 OE2 GLU A 61 1.637 -9.630 -15.761 1.00 2.11 O ATOM 0 H GLU A 61 2.588 -5.334 -11.527 1.00 0.32 H new ATOM 0 HA GLU A 61 1.792 -8.057 -11.033 1.00 0.36 H new ATOM 0 HB2 GLU A 61 1.487 -6.702 -13.163 1.00 0.43 H new ATOM 0 HB3 GLU A 61 3.212 -6.866 -13.431 1.00 0.43 H new ATOM 0 HG2 GLU A 61 2.993 -9.322 -13.476 1.00 0.52 H new ATOM 0 HG3 GLU A 61 1.278 -9.192 -13.141 1.00 0.52 H new ATOM 908 N THR A 62 4.015 -8.786 -10.071 1.00 0.34 N ATOM 909 CA THR A 62 5.277 -9.383 -9.666 1.00 0.35 C ATOM 910 C THR A 62 5.122 -10.826 -9.204 1.00 0.39 C ATOM 911 O THR A 62 4.070 -11.232 -8.712 1.00 0.61 O ATOM 912 CB THR A 62 5.894 -8.554 -8.541 1.00 0.40 C ATOM 913 OG1 THR A 62 7.109 -9.129 -8.100 1.00 0.43 O ATOM 914 CG2 THR A 62 4.988 -8.410 -7.336 1.00 0.52 C ATOM 0 H THR A 62 3.229 -8.992 -9.455 1.00 0.34 H new ATOM 0 HA THR A 62 5.927 -9.390 -10.541 1.00 0.35 H new ATOM 0 HB THR A 62 6.060 -7.566 -8.970 1.00 0.40 H new ATOM 0 HG1 THR A 62 7.573 -9.537 -8.861 1.00 0.43 H new ATOM 0 HG21 THR A 62 5.487 -7.810 -6.575 1.00 0.52 H new ATOM 0 HG22 THR A 62 4.061 -7.920 -7.634 1.00 0.52 H new ATOM 0 HG23 THR A 62 4.762 -9.396 -6.930 1.00 0.52 H new ATOM 922 N SER A 63 6.208 -11.575 -9.339 1.00 0.37 N ATOM 923 CA SER A 63 6.253 -12.966 -8.912 1.00 0.48 C ATOM 924 C SER A 63 7.197 -13.082 -7.728 1.00 0.42 C ATOM 925 O SER A 63 7.457 -14.172 -7.215 1.00 0.45 O ATOM 926 CB SER A 63 6.719 -13.869 -10.054 1.00 0.69 C ATOM 927 OG SER A 63 8.004 -13.488 -10.514 1.00 1.22 O ATOM 0 H SER A 63 7.080 -11.236 -9.746 1.00 0.37 H new ATOM 0 HA SER A 63 5.253 -13.288 -8.621 1.00 0.48 H new ATOM 0 HB2 SER A 63 6.743 -14.905 -9.716 1.00 0.69 H new ATOM 0 HB3 SER A 63 6.005 -13.818 -10.876 1.00 0.69 H new ATOM 0 HG SER A 63 8.280 -14.082 -11.243 1.00 1.22 H new ATOM 933 N LEU A 64 7.693 -11.927 -7.303 1.00 0.37 N ATOM 934 CA LEU A 64 8.603 -11.829 -6.170 1.00 0.35 C ATOM 935 C LEU A 64 7.975 -12.504 -4.951 1.00 0.50 C ATOM 936 O LEU A 64 6.813 -12.249 -4.631 1.00 0.82 O ATOM 937 CB LEU A 64 8.856 -10.341 -5.892 1.00 0.49 C ATOM 938 CG LEU A 64 10.063 -9.973 -5.016 1.00 0.48 C ATOM 939 CD1 LEU A 64 10.059 -8.481 -4.742 1.00 0.90 C ATOM 940 CD2 LEU A 64 10.069 -10.754 -3.714 1.00 0.84 C ATOM 0 H LEU A 64 7.475 -11.030 -7.736 1.00 0.37 H new ATOM 0 HA LEU A 64 9.547 -12.328 -6.388 1.00 0.35 H new ATOM 0 HB2 LEU A 64 8.971 -9.836 -6.851 1.00 0.49 H new ATOM 0 HB3 LEU A 64 7.962 -9.931 -5.421 1.00 0.49 H new ATOM 0 HG LEU A 64 10.971 -10.239 -5.558 1.00 0.48 H new ATOM 0 HD11 LEU A 64 10.916 -8.223 -4.120 1.00 0.90 H new ATOM 0 HD12 LEU A 64 10.118 -7.938 -5.685 1.00 0.90 H new ATOM 0 HD13 LEU A 64 9.140 -8.209 -4.223 1.00 0.90 H new ATOM 0 HD21 LEU A 64 10.937 -10.467 -3.121 1.00 0.84 H new ATOM 0 HD22 LEU A 64 9.159 -10.536 -3.155 1.00 0.84 H new ATOM 0 HD23 LEU A 64 10.114 -11.821 -3.930 1.00 0.84 H new ATOM 952 N ALA A 65 8.741 -13.362 -4.270 1.00 0.58 N ATOM 953 CA ALA A 65 8.243 -14.059 -3.090 1.00 0.89 C ATOM 954 C ALA A 65 7.501 -13.092 -2.175 1.00 0.60 C ATOM 955 O ALA A 65 7.955 -11.975 -1.956 1.00 0.59 O ATOM 956 CB ALA A 65 9.390 -14.723 -2.346 1.00 1.41 C ATOM 0 H ALA A 65 9.704 -13.587 -4.518 1.00 0.58 H new ATOM 0 HA ALA A 65 7.545 -14.832 -3.411 1.00 0.89 H new ATOM 0 HB1 ALA A 65 9.003 -15.239 -1.467 1.00 1.41 H new ATOM 0 HB2 ALA A 65 9.882 -15.441 -3.002 1.00 1.41 H new ATOM 0 HB3 ALA A 65 10.109 -13.965 -2.034 1.00 1.41 H new ATOM 962 N PRO A 66 6.342 -13.499 -1.641 1.00 0.50 N ATOM 963 CA PRO A 66 5.536 -12.647 -0.759 1.00 0.40 C ATOM 964 C PRO A 66 6.302 -12.159 0.463 1.00 0.41 C ATOM 965 O PRO A 66 5.939 -11.155 1.073 1.00 0.62 O ATOM 966 CB PRO A 66 4.391 -13.562 -0.312 1.00 0.47 C ATOM 967 CG PRO A 66 4.829 -14.946 -0.654 1.00 0.75 C ATOM 968 CD PRO A 66 5.712 -14.809 -1.859 1.00 0.64 C ATOM 0 HA PRO A 66 5.215 -11.744 -1.278 1.00 0.40 H new ATOM 0 HB2 PRO A 66 4.204 -13.463 0.757 1.00 0.47 H new ATOM 0 HB3 PRO A 66 3.463 -13.307 -0.823 1.00 0.47 H new ATOM 0 HG2 PRO A 66 5.368 -15.402 0.176 1.00 0.75 H new ATOM 0 HG3 PRO A 66 3.973 -15.586 -0.867 1.00 0.75 H new ATOM 0 HD2 PRO A 66 6.449 -15.610 -1.916 1.00 0.64 H new ATOM 0 HD3 PRO A 66 5.140 -14.836 -2.787 1.00 0.64 H new ATOM 976 N GLU A 67 7.357 -12.878 0.815 1.00 0.40 N ATOM 977 CA GLU A 67 8.169 -12.530 1.974 1.00 0.44 C ATOM 978 C GLU A 67 9.234 -11.518 1.611 1.00 0.37 C ATOM 979 O GLU A 67 9.542 -10.616 2.390 1.00 0.40 O ATOM 980 CB GLU A 67 8.816 -13.786 2.562 1.00 0.57 C ATOM 981 CG GLU A 67 9.106 -14.862 1.530 1.00 0.65 C ATOM 982 CD GLU A 67 9.840 -16.052 2.113 1.00 0.80 C ATOM 983 OE1 GLU A 67 9.286 -16.701 3.026 1.00 1.28 O ATOM 984 OE2 GLU A 67 10.969 -16.338 1.661 1.00 1.19 O ATOM 0 H GLU A 67 7.673 -13.709 0.314 1.00 0.40 H new ATOM 0 HA GLU A 67 7.515 -12.081 2.722 1.00 0.44 H new ATOM 0 HB2 GLU A 67 9.747 -13.508 3.055 1.00 0.57 H new ATOM 0 HB3 GLU A 67 8.160 -14.197 3.329 1.00 0.57 H new ATOM 0 HG2 GLU A 67 8.168 -15.200 1.090 1.00 0.65 H new ATOM 0 HG3 GLU A 67 9.700 -14.434 0.723 1.00 0.65 H new ATOM 991 N GLU A 68 9.795 -11.674 0.427 1.00 0.34 N ATOM 992 CA GLU A 68 10.829 -10.765 -0.033 1.00 0.31 C ATOM 993 C GLU A 68 10.221 -9.552 -0.722 1.00 0.29 C ATOM 994 O GLU A 68 10.858 -8.509 -0.828 1.00 0.30 O ATOM 995 CB GLU A 68 11.807 -11.470 -0.963 1.00 0.37 C ATOM 996 CG GLU A 68 12.989 -10.595 -1.332 1.00 0.34 C ATOM 997 CD GLU A 68 13.948 -11.278 -2.289 1.00 0.53 C ATOM 998 OE1 GLU A 68 13.514 -11.654 -3.398 1.00 1.21 O ATOM 999 OE2 GLU A 68 15.133 -11.440 -1.926 1.00 1.02 O ATOM 0 H GLU A 68 9.555 -12.416 -0.230 1.00 0.34 H new ATOM 0 HA GLU A 68 11.380 -10.422 0.843 1.00 0.31 H new ATOM 0 HB2 GLU A 68 12.168 -12.380 -0.484 1.00 0.37 H new ATOM 0 HB3 GLU A 68 11.286 -11.773 -1.871 1.00 0.37 H new ATOM 0 HG2 GLU A 68 12.625 -9.673 -1.785 1.00 0.34 H new ATOM 0 HG3 GLU A 68 13.525 -10.315 -0.425 1.00 0.34 H new ATOM 1006 N LEU A 69 8.987 -9.695 -1.198 1.00 0.32 N ATOM 1007 CA LEU A 69 8.301 -8.607 -1.880 1.00 0.36 C ATOM 1008 C LEU A 69 8.051 -7.467 -0.919 1.00 0.35 C ATOM 1009 O LEU A 69 8.586 -6.375 -1.097 1.00 0.41 O ATOM 1010 CB LEU A 69 6.992 -9.088 -2.494 1.00 0.42 C ATOM 1011 CG LEU A 69 6.142 -8.003 -3.159 1.00 0.54 C ATOM 1012 CD1 LEU A 69 6.964 -7.212 -4.169 1.00 1.08 C ATOM 1013 CD2 LEU A 69 4.938 -8.628 -3.837 1.00 1.51 C ATOM 0 H LEU A 69 8.443 -10.555 -1.123 1.00 0.32 H new ATOM 0 HA LEU A 69 8.939 -8.251 -2.689 1.00 0.36 H new ATOM 0 HB2 LEU A 69 7.218 -9.854 -3.236 1.00 0.42 H new ATOM 0 HB3 LEU A 69 6.398 -9.564 -1.714 1.00 0.42 H new ATOM 0 HG LEU A 69 5.798 -7.315 -2.387 1.00 0.54 H new ATOM 0 HD11 LEU A 69 6.338 -6.447 -4.628 1.00 1.08 H new ATOM 0 HD12 LEU A 69 7.804 -6.737 -3.662 1.00 1.08 H new ATOM 0 HD13 LEU A 69 7.339 -7.885 -4.940 1.00 1.08 H new ATOM 0 HD21 LEU A 69 4.339 -7.848 -4.307 1.00 1.51 H new ATOM 0 HD22 LEU A 69 5.274 -9.335 -4.596 1.00 1.51 H new ATOM 0 HD23 LEU A 69 4.334 -9.151 -3.096 1.00 1.51 H new ATOM 1025 N LEU A 70 7.269 -7.730 0.124 1.00 0.33 N ATOM 1026 CA LEU A 70 7.013 -6.711 1.125 1.00 0.39 C ATOM 1027 C LEU A 70 8.347 -6.225 1.655 1.00 0.42 C ATOM 1028 O LEU A 70 8.486 -5.093 2.104 1.00 0.61 O ATOM 1029 CB LEU A 70 6.146 -7.260 2.261 1.00 0.44 C ATOM 1030 CG LEU A 70 6.022 -6.342 3.480 1.00 0.58 C ATOM 1031 CD1 LEU A 70 4.664 -6.508 4.134 1.00 1.16 C ATOM 1032 CD2 LEU A 70 7.127 -6.639 4.485 1.00 1.01 C ATOM 0 H LEU A 70 6.811 -8.625 0.293 1.00 0.33 H new ATOM 0 HA LEU A 70 6.465 -5.883 0.675 1.00 0.39 H new ATOM 0 HB2 LEU A 70 5.148 -7.460 1.872 1.00 0.44 H new ATOM 0 HB3 LEU A 70 6.559 -8.215 2.585 1.00 0.44 H new ATOM 0 HG LEU A 70 6.124 -5.310 3.143 1.00 0.58 H new ATOM 0 HD11 LEU A 70 4.593 -5.848 4.999 1.00 1.16 H new ATOM 0 HD12 LEU A 70 3.882 -6.254 3.419 1.00 1.16 H new ATOM 0 HD13 LEU A 70 4.539 -7.542 4.456 1.00 1.16 H new ATOM 0 HD21 LEU A 70 7.024 -5.978 5.345 1.00 1.01 H new ATOM 0 HD22 LEU A 70 7.051 -7.676 4.813 1.00 1.01 H new ATOM 0 HD23 LEU A 70 8.098 -6.477 4.017 1.00 1.01 H new ATOM 1044 N ASN A 71 9.333 -7.106 1.574 1.00 0.31 N ATOM 1045 CA ASN A 71 10.684 -6.793 2.014 1.00 0.35 C ATOM 1046 C ASN A 71 11.345 -5.804 1.054 1.00 0.38 C ATOM 1047 O ASN A 71 12.007 -4.861 1.490 1.00 0.45 O ATOM 1048 CB ASN A 71 11.524 -8.065 2.122 1.00 0.36 C ATOM 1049 CG ASN A 71 12.918 -7.790 2.651 1.00 1.06 C ATOM 1050 OD1 ASN A 71 13.710 -7.089 2.018 1.00 1.87 O ATOM 1051 ND2 ASN A 71 13.224 -8.336 3.820 1.00 1.53 N ATOM 0 H ASN A 71 9.221 -8.050 1.205 1.00 0.31 H new ATOM 0 HA ASN A 71 10.623 -6.333 3.000 1.00 0.35 H new ATOM 0 HB2 ASN A 71 11.022 -8.775 2.779 1.00 0.36 H new ATOM 0 HB3 ASN A 71 11.596 -8.535 1.141 1.00 0.36 H new ATOM 0 HD21 ASN A 71 14.146 -8.182 4.229 1.00 1.53 H new ATOM 0 HD22 ASN A 71 12.538 -8.910 4.310 1.00 1.53 H new ATOM 1058 N HIS A 72 11.153 -6.004 -0.256 1.00 0.35 N ATOM 1059 CA HIS A 72 11.729 -5.105 -1.246 1.00 0.42 C ATOM 1060 C HIS A 72 10.974 -3.791 -1.259 1.00 0.41 C ATOM 1061 O HIS A 72 11.542 -2.741 -1.548 1.00 0.43 O ATOM 1062 CB HIS A 72 11.708 -5.732 -2.639 1.00 0.51 C ATOM 1063 CG HIS A 72 12.848 -6.667 -2.892 1.00 1.07 C ATOM 1064 ND1 HIS A 72 12.859 -7.964 -3.272 1.00 2.09 N flip ATOM 1065 CD2 HIS A 72 14.170 -6.291 -2.775 1.00 1.39 C flip ATOM 1066 CE1 HIS A 72 14.174 -8.347 -3.376 1.00 2.99 C flip ATOM 1067 NE2 HIS A 72 14.946 -7.320 -3.073 1.00 2.56 N flip ATOM 0 H HIS A 72 10.608 -6.774 -0.645 1.00 0.35 H new ATOM 0 HA HIS A 72 12.768 -4.921 -0.971 1.00 0.42 H new ATOM 0 HB2 HIS A 72 10.770 -6.272 -2.771 1.00 0.51 H new ATOM 0 HB3 HIS A 72 11.727 -4.938 -3.386 1.00 0.51 H new ATOM 0 HD2 HIS A 72 14.517 -5.310 -2.485 1.00 1.39 H new ATOM 0 HE1 HIS A 72 14.520 -9.330 -3.660 1.00 2.99 H new ATOM 0 HE2 HIS A 72 15.966 -7.320 -3.069 1.00 2.56 H new ATOM 1076 N THR A 73 9.690 -3.848 -0.931 1.00 0.45 N ATOM 1077 CA THR A 73 8.878 -2.646 -0.893 1.00 0.49 C ATOM 1078 C THR A 73 9.444 -1.680 0.140 1.00 0.46 C ATOM 1079 O THR A 73 9.427 -0.466 -0.054 1.00 0.47 O ATOM 1080 CB THR A 73 7.420 -2.977 -0.579 1.00 0.58 C ATOM 1081 OG1 THR A 73 7.295 -3.545 0.707 1.00 0.62 O ATOM 1082 CG2 THR A 73 6.796 -3.936 -1.569 1.00 0.66 C ATOM 0 H THR A 73 9.195 -4.707 -0.690 1.00 0.45 H new ATOM 0 HA THR A 73 8.905 -2.175 -1.876 1.00 0.49 H new ATOM 0 HB THR A 73 6.893 -2.025 -0.639 1.00 0.58 H new ATOM 0 HG1 THR A 73 8.172 -3.859 1.013 1.00 0.62 H new ATOM 0 HG21 THR A 73 5.761 -4.128 -1.287 1.00 0.66 H new ATOM 0 HG22 THR A 73 6.825 -3.499 -2.567 1.00 0.66 H new ATOM 0 HG23 THR A 73 7.352 -4.873 -1.568 1.00 0.66 H new ATOM 1090 N GLN A 74 9.972 -2.229 1.236 1.00 0.49 N ATOM 1091 CA GLN A 74 10.566 -1.404 2.279 1.00 0.49 C ATOM 1092 C GLN A 74 11.828 -0.748 1.740 1.00 0.43 C ATOM 1093 O GLN A 74 12.230 0.321 2.195 1.00 0.45 O ATOM 1094 CB GLN A 74 10.923 -2.228 3.520 1.00 0.60 C ATOM 1095 CG GLN A 74 9.955 -3.359 3.830 1.00 0.65 C ATOM 1096 CD GLN A 74 8.540 -2.893 4.140 1.00 0.87 C ATOM 1097 OE1 GLN A 74 7.638 -3.708 4.322 1.00 1.66 O ATOM 1098 NE2 GLN A 74 8.334 -1.582 4.217 1.00 1.05 N ATOM 0 H GLN A 74 9.999 -3.232 1.420 1.00 0.49 H new ATOM 0 HA GLN A 74 9.833 -0.651 2.570 1.00 0.49 H new ATOM 0 HB2 GLN A 74 11.920 -2.647 3.387 1.00 0.60 H new ATOM 0 HB3 GLN A 74 10.970 -1.561 4.381 1.00 0.60 H new ATOM 0 HG2 GLN A 74 9.924 -4.041 2.980 1.00 0.65 H new ATOM 0 HG3 GLN A 74 10.335 -3.926 4.680 1.00 0.65 H new ATOM 0 HE21 GLN A 74 9.106 -0.934 4.060 1.00 1.05 H new ATOM 0 HE22 GLN A 74 7.404 -1.224 4.433 1.00 1.05 H new ATOM 1107 N ARG A 75 12.449 -1.402 0.760 1.00 0.44 N ATOM 1108 CA ARG A 75 13.663 -0.879 0.152 1.00 0.46 C ATOM 1109 C ARG A 75 13.405 0.510 -0.405 1.00 0.43 C ATOM 1110 O ARG A 75 14.280 1.370 -0.364 1.00 0.52 O ATOM 1111 CB ARG A 75 14.164 -1.808 -0.954 1.00 0.59 C ATOM 1112 CG ARG A 75 15.479 -1.364 -1.572 1.00 1.17 C ATOM 1113 CD ARG A 75 15.908 -2.295 -2.694 1.00 1.93 C ATOM 1114 NE ARG A 75 17.173 -1.881 -3.296 1.00 2.51 N ATOM 1115 CZ ARG A 75 17.756 -2.524 -4.305 1.00 2.97 C ATOM 1116 NH1 ARG A 75 17.187 -3.604 -4.824 1.00 3.08 N ATOM 1117 NH2 ARG A 75 18.907 -2.085 -4.793 1.00 3.82 N ATOM 0 H ARG A 75 12.130 -2.291 0.374 1.00 0.44 H new ATOM 0 HA ARG A 75 14.435 -0.819 0.919 1.00 0.46 H new ATOM 0 HB2 ARG A 75 14.284 -2.812 -0.547 1.00 0.59 H new ATOM 0 HB3 ARG A 75 13.407 -1.870 -1.736 1.00 0.59 H new ATOM 0 HG2 ARG A 75 15.377 -0.350 -1.958 1.00 1.17 H new ATOM 0 HG3 ARG A 75 16.252 -1.337 -0.804 1.00 1.17 H new ATOM 0 HD2 ARG A 75 16.006 -3.309 -2.306 1.00 1.93 H new ATOM 0 HD3 ARG A 75 15.133 -2.320 -3.460 1.00 1.93 H new ATOM 0 HE ARG A 75 17.636 -1.052 -2.922 1.00 2.51 H new ATOM 0 HH11 ARG A 75 16.301 -3.943 -4.450 1.00 3.08 H new ATOM 0 HH12 ARG A 75 17.636 -4.095 -5.597 1.00 3.08 H new ATOM 0 HH21 ARG A 75 19.346 -1.255 -4.395 1.00 3.82 H new ATOM 0 HH22 ARG A 75 19.354 -2.578 -5.566 1.00 3.82 H new ATOM 1131 N ILE A 76 12.190 0.734 -0.903 1.00 0.43 N ATOM 1132 CA ILE A 76 11.823 2.039 -1.435 1.00 0.48 C ATOM 1133 C ILE A 76 11.902 3.073 -0.321 1.00 0.49 C ATOM 1134 O ILE A 76 12.305 4.214 -0.540 1.00 0.60 O ATOM 1135 CB ILE A 76 10.401 2.059 -2.051 1.00 0.53 C ATOM 1136 CG1 ILE A 76 10.314 1.135 -3.273 1.00 0.62 C ATOM 1137 CG2 ILE A 76 10.018 3.477 -2.445 1.00 0.64 C ATOM 1138 CD1 ILE A 76 10.406 -0.339 -2.947 1.00 1.42 C ATOM 0 H ILE A 76 11.450 0.033 -0.948 1.00 0.43 H new ATOM 0 HA ILE A 76 12.525 2.272 -2.236 1.00 0.48 H new ATOM 0 HB ILE A 76 9.703 1.695 -1.297 1.00 0.53 H new ATOM 0 HG12 ILE A 76 9.373 1.323 -3.789 1.00 0.62 H new ATOM 0 HG13 ILE A 76 11.115 1.392 -3.966 1.00 0.62 H new ATOM 0 HG21 ILE A 76 9.017 3.477 -2.876 1.00 0.64 H new ATOM 0 HG22 ILE A 76 10.033 4.116 -1.562 1.00 0.64 H new ATOM 0 HG23 ILE A 76 10.729 3.855 -3.179 1.00 0.64 H new ATOM 0 HD11 ILE A 76 10.336 -0.920 -3.867 1.00 1.42 H new ATOM 0 HD12 ILE A 76 11.359 -0.545 -2.459 1.00 1.42 H new ATOM 0 HD13 ILE A 76 9.590 -0.616 -2.280 1.00 1.42 H new ATOM 1150 N GLU A 77 11.533 2.646 0.884 1.00 0.45 N ATOM 1151 CA GLU A 77 11.577 3.511 2.053 1.00 0.52 C ATOM 1152 C GLU A 77 13.001 4.006 2.286 1.00 0.52 C ATOM 1153 O GLU A 77 13.215 5.124 2.756 1.00 0.71 O ATOM 1154 CB GLU A 77 11.076 2.760 3.289 1.00 0.59 C ATOM 1155 CG GLU A 77 9.598 2.414 3.238 1.00 0.95 C ATOM 1156 CD GLU A 77 9.111 1.760 4.515 1.00 1.15 C ATOM 1157 OE1 GLU A 77 9.666 0.706 4.891 1.00 1.52 O ATOM 1158 OE2 GLU A 77 8.178 2.302 5.143 1.00 1.59 O ATOM 0 H GLU A 77 11.199 1.701 1.074 1.00 0.45 H new ATOM 0 HA GLU A 77 10.928 4.369 1.876 1.00 0.52 H new ATOM 0 HB2 GLU A 77 11.651 1.841 3.402 1.00 0.59 H new ATOM 0 HB3 GLU A 77 11.267 3.367 4.174 1.00 0.59 H new ATOM 0 HG2 GLU A 77 9.022 3.321 3.056 1.00 0.95 H new ATOM 0 HG3 GLU A 77 9.414 1.745 2.398 1.00 0.95 H new ATOM 1165 N LEU A 78 13.970 3.163 1.944 1.00 0.47 N ATOM 1166 CA LEU A 78 15.377 3.503 2.103 1.00 0.56 C ATOM 1167 C LEU A 78 15.877 4.293 0.898 1.00 0.57 C ATOM 1168 O LEU A 78 16.518 5.334 1.046 1.00 0.66 O ATOM 1169 CB LEU A 78 16.215 2.233 2.275 1.00 0.63 C ATOM 1170 CG LEU A 78 15.842 1.362 3.478 1.00 0.71 C ATOM 1171 CD1 LEU A 78 16.666 0.083 3.483 1.00 0.83 C ATOM 1172 CD2 LEU A 78 16.041 2.130 4.778 1.00 0.84 C ATOM 0 H LEU A 78 13.804 2.236 1.553 1.00 0.47 H new ATOM 0 HA LEU A 78 15.480 4.121 2.995 1.00 0.56 H new ATOM 0 HB2 LEU A 78 16.124 1.632 1.370 1.00 0.63 H new ATOM 0 HB3 LEU A 78 17.263 2.518 2.365 1.00 0.63 H new ATOM 0 HG LEU A 78 14.788 1.095 3.396 1.00 0.71 H new ATOM 0 HD11 LEU A 78 16.389 -0.525 4.344 1.00 0.83 H new ATOM 0 HD12 LEU A 78 16.475 -0.477 2.567 1.00 0.83 H new ATOM 0 HD13 LEU A 78 17.725 0.333 3.541 1.00 0.83 H new ATOM 0 HD21 LEU A 78 15.771 1.494 5.621 1.00 0.84 H new ATOM 0 HD22 LEU A 78 17.086 2.428 4.868 1.00 0.84 H new ATOM 0 HD23 LEU A 78 15.409 3.018 4.776 1.00 0.84 H new ATOM 1184 N GLN A 79 15.581 3.785 -0.295 1.00 0.56 N ATOM 1185 CA GLN A 79 16.003 4.435 -1.534 1.00 0.63 C ATOM 1186 C GLN A 79 15.426 5.842 -1.658 1.00 0.66 C ATOM 1187 O GLN A 79 15.947 6.668 -2.407 1.00 0.84 O ATOM 1188 CB GLN A 79 15.571 3.605 -2.738 1.00 0.67 C ATOM 1189 CG GLN A 79 16.090 2.184 -2.704 1.00 0.93 C ATOM 1190 CD GLN A 79 15.868 1.460 -4.014 1.00 1.22 C ATOM 1191 OE1 GLN A 79 15.006 0.454 -3.994 1.00 1.95 O flip ATOM 1192 NE2 GLN A 79 16.457 1.809 -5.037 1.00 1.30 N flip ATOM 0 H GLN A 79 15.050 2.925 -0.431 1.00 0.56 H new ATOM 0 HA GLN A 79 17.090 4.512 -1.508 1.00 0.63 H new ATOM 0 HB2 GLN A 79 14.482 3.586 -2.785 1.00 0.67 H new ATOM 0 HB3 GLN A 79 15.921 4.090 -3.649 1.00 0.67 H new ATOM 0 HG2 GLN A 79 17.155 2.194 -2.473 1.00 0.93 H new ATOM 0 HG3 GLN A 79 15.595 1.638 -1.901 1.00 0.93 H new ATOM 0 HE21 GLN A 79 17.113 2.590 -5.007 1.00 1.30 H new ATOM 0 HE22 GLN A 79 16.289 1.318 -5.915 1.00 1.30 H new ATOM 1201 N GLN A 80 14.344 6.108 -0.934 1.00 0.54 N ATOM 1202 CA GLN A 80 13.701 7.413 -0.980 1.00 0.59 C ATOM 1203 C GLN A 80 14.092 8.245 0.233 1.00 0.68 C ATOM 1204 O GLN A 80 13.722 9.413 0.348 1.00 0.78 O ATOM 1205 CB GLN A 80 12.179 7.241 -1.039 1.00 0.54 C ATOM 1206 CG GLN A 80 11.422 8.521 -1.354 1.00 0.99 C ATOM 1207 CD GLN A 80 11.810 9.116 -2.696 1.00 0.98 C ATOM 1208 OE1 GLN A 80 12.944 9.557 -2.888 1.00 1.68 O ATOM 1209 NE2 GLN A 80 10.872 9.120 -3.633 1.00 0.74 N ATOM 0 H GLN A 80 13.896 5.437 -0.310 1.00 0.54 H new ATOM 0 HA GLN A 80 14.035 7.937 -1.876 1.00 0.59 H new ATOM 0 HB2 GLN A 80 11.938 6.493 -1.795 1.00 0.54 H new ATOM 0 HB3 GLN A 80 11.831 6.851 -0.082 1.00 0.54 H new ATOM 0 HG2 GLN A 80 10.351 8.316 -1.348 1.00 0.99 H new ATOM 0 HG3 GLN A 80 11.611 9.253 -0.568 1.00 0.99 H new ATOM 0 HE21 GLN A 80 9.946 8.744 -3.429 1.00 0.74 H new ATOM 0 HE22 GLN A 80 11.076 9.499 -4.558 1.00 0.74 H new ATOM 1218 N GLY A 81 14.847 7.630 1.137 1.00 0.74 N ATOM 1219 CA GLY A 81 15.282 8.319 2.333 1.00 0.88 C ATOM 1220 C GLY A 81 14.131 8.616 3.266 1.00 0.89 C ATOM 1221 O GLY A 81 13.635 9.742 3.311 1.00 0.99 O ATOM 0 H GLY A 81 15.165 6.664 1.060 1.00 0.74 H new ATOM 0 HA2 GLY A 81 16.022 7.711 2.853 1.00 0.88 H new ATOM 0 HA3 GLY A 81 15.774 9.251 2.056 1.00 0.88 H new ATOM 1225 N ARG A 82 13.704 7.608 4.022 1.00 0.95 N ATOM 1226 CA ARG A 82 12.624 7.770 4.953 1.00 1.07 C ATOM 1227 C ARG A 82 13.161 8.264 6.283 1.00 1.09 C ATOM 1228 O ARG A 82 13.904 7.567 6.973 1.00 1.50 O ATOM 1229 CB ARG A 82 11.888 6.447 5.125 1.00 1.34 C ATOM 1230 CG ARG A 82 11.270 6.286 6.490 1.00 1.78 C ATOM 1231 CD ARG A 82 10.701 4.890 6.676 1.00 2.05 C ATOM 1232 NE ARG A 82 10.139 4.690 8.007 1.00 2.68 N ATOM 1233 CZ ARG A 82 9.598 3.545 8.413 1.00 3.14 C ATOM 1234 NH1 ARG A 82 9.543 2.504 7.590 1.00 3.20 N ATOM 1235 NH2 ARG A 82 9.113 3.437 9.639 1.00 3.90 N ATOM 0 H ARG A 82 14.102 6.669 3.997 1.00 0.95 H new ATOM 0 HA ARG A 82 11.921 8.509 4.569 1.00 1.07 H new ATOM 0 HB2 ARG A 82 11.107 6.372 4.368 1.00 1.34 H new ATOM 0 HB3 ARG A 82 12.583 5.626 4.949 1.00 1.34 H new ATOM 0 HG2 ARG A 82 12.020 6.481 7.257 1.00 1.78 H new ATOM 0 HG3 ARG A 82 10.479 7.024 6.623 1.00 1.78 H new ATOM 0 HD2 ARG A 82 9.928 4.713 5.928 1.00 2.05 H new ATOM 0 HD3 ARG A 82 11.487 4.155 6.502 1.00 2.05 H new ATOM 0 HE ARG A 82 10.162 5.471 8.662 1.00 2.68 H new ATOM 0 HH11 ARG A 82 9.916 2.582 6.644 1.00 3.20 H new ATOM 0 HH12 ARG A 82 9.128 1.627 7.904 1.00 3.20 H new ATOM 0 HH21 ARG A 82 9.153 4.233 10.275 1.00 3.90 H new ATOM 0 HH22 ARG A 82 8.699 2.558 9.948 1.00 3.90 H new ATOM 1249 N VAL A 83 12.778 9.474 6.626 1.00 1.01 N ATOM 1250 CA VAL A 83 13.202 10.090 7.865 1.00 1.24 C ATOM 1251 C VAL A 83 12.402 9.510 9.022 1.00 1.17 C ATOM 1252 O VAL A 83 11.277 9.058 8.820 1.00 1.65 O ATOM 1253 CB VAL A 83 13.037 11.610 7.788 1.00 1.94 C ATOM 1254 CG1 VAL A 83 13.774 12.293 8.927 1.00 2.77 C ATOM 1255 CG2 VAL A 83 13.522 12.111 6.433 1.00 2.45 C ATOM 0 H VAL A 83 12.166 10.058 6.056 1.00 1.01 H new ATOM 0 HA VAL A 83 14.258 9.878 8.031 1.00 1.24 H new ATOM 0 HB VAL A 83 11.981 11.859 7.891 1.00 1.94 H new ATOM 0 HG11 VAL A 83 13.642 13.372 8.851 1.00 2.77 H new ATOM 0 HG12 VAL A 83 13.374 11.945 9.879 1.00 2.77 H new ATOM 0 HG13 VAL A 83 14.836 12.053 8.869 1.00 2.77 H new ATOM 0 HG21 VAL A 83 13.403 13.193 6.381 1.00 2.45 H new ATOM 0 HG22 VAL A 83 14.574 11.855 6.306 1.00 2.45 H new ATOM 0 HG23 VAL A 83 12.936 11.644 5.641 1.00 2.45 H new ATOM 1265 N ARG A 84 13.011 9.468 10.212 1.00 1.26 N ATOM 1266 CA ARG A 84 12.377 8.889 11.403 1.00 1.64 C ATOM 1267 C ARG A 84 12.630 7.391 11.436 1.00 1.64 C ATOM 1268 O ARG A 84 12.991 6.833 12.474 1.00 2.28 O ATOM 1269 CB ARG A 84 10.868 9.162 11.442 1.00 2.64 C ATOM 1270 CG ARG A 84 10.484 10.508 12.034 1.00 3.46 C ATOM 1271 CD ARG A 84 11.423 11.627 11.607 1.00 4.08 C ATOM 1272 NE ARG A 84 11.037 12.911 12.187 1.00 4.79 N ATOM 1273 CZ ARG A 84 11.771 14.015 12.092 1.00 5.36 C ATOM 1274 NH1 ARG A 84 12.947 13.984 11.481 1.00 5.36 N ATOM 1275 NH2 ARG A 84 11.335 15.151 12.619 1.00 6.26 N ATOM 0 H ARG A 84 13.950 9.831 10.377 1.00 1.26 H new ATOM 0 HA ARG A 84 12.819 9.363 12.279 1.00 1.64 H new ATOM 0 HB2 ARG A 84 10.475 9.101 10.427 1.00 2.64 H new ATOM 0 HB3 ARG A 84 10.384 8.374 12.020 1.00 2.64 H new ATOM 0 HG2 ARG A 84 9.467 10.757 11.731 1.00 3.46 H new ATOM 0 HG3 ARG A 84 10.483 10.435 13.122 1.00 3.46 H new ATOM 0 HD2 ARG A 84 12.441 11.383 11.910 1.00 4.08 H new ATOM 0 HD3 ARG A 84 11.424 11.705 10.520 1.00 4.08 H new ATOM 0 HE ARG A 84 10.153 12.963 12.694 1.00 4.79 H new ATOM 0 HH11 ARG A 84 13.291 13.111 11.082 1.00 5.36 H new ATOM 0 HH12 ARG A 84 13.507 14.833 11.410 1.00 5.36 H new ATOM 0 HH21 ARG A 84 10.435 15.179 13.098 1.00 6.26 H new ATOM 0 HH22 ARG A 84 11.900 15.997 12.545 1.00 6.26 H new ATOM 1289 N LYS A 85 12.455 6.754 10.281 1.00 1.79 N ATOM 1290 CA LYS A 85 12.683 5.321 10.141 1.00 2.53 C ATOM 1291 C LYS A 85 11.676 4.494 10.939 1.00 2.61 C ATOM 1292 O LYS A 85 11.651 3.268 10.823 1.00 3.08 O ATOM 1293 CB LYS A 85 14.105 4.983 10.578 1.00 3.13 C ATOM 1294 CG LYS A 85 15.174 5.627 9.706 1.00 3.58 C ATOM 1295 CD LYS A 85 15.156 5.083 8.282 1.00 4.39 C ATOM 1296 CE LYS A 85 15.571 3.619 8.221 1.00 5.02 C ATOM 1297 NZ LYS A 85 14.567 2.718 8.851 1.00 5.50 N ATOM 0 H LYS A 85 12.153 7.214 9.422 1.00 1.79 H new ATOM 0 HA LYS A 85 12.547 5.065 9.090 1.00 2.53 H new ATOM 0 HB2 LYS A 85 14.246 5.304 11.610 1.00 3.13 H new ATOM 0 HB3 LYS A 85 14.235 3.901 10.560 1.00 3.13 H new ATOM 0 HG2 LYS A 85 15.021 6.706 9.683 1.00 3.58 H new ATOM 0 HG3 LYS A 85 16.155 5.453 10.148 1.00 3.58 H new ATOM 0 HD2 LYS A 85 14.155 5.193 7.865 1.00 4.39 H new ATOM 0 HD3 LYS A 85 15.827 5.675 7.660 1.00 4.39 H new ATOM 0 HE2 LYS A 85 15.714 3.328 7.180 1.00 5.02 H new ATOM 0 HE3 LYS A 85 16.531 3.495 8.722 1.00 5.02 H new ATOM 0 HZ1 LYS A 85 14.444 1.869 8.262 1.00 5.50 H new ATOM 0 HZ2 LYS A 85 14.897 2.438 9.797 1.00 5.50 H new ATOM 0 HZ3 LYS A 85 13.658 3.216 8.934 1.00 5.50 H new ATOM 1311 N ALA A 86 10.842 5.154 11.738 1.00 2.48 N ATOM 1312 CA ALA A 86 9.844 4.439 12.526 1.00 2.58 C ATOM 1313 C ALA A 86 8.479 5.109 12.435 1.00 2.00 C ATOM 1314 O ALA A 86 8.274 6.206 12.955 1.00 1.95 O ATOM 1315 CB ALA A 86 10.289 4.347 13.978 1.00 3.19 C ATOM 0 H ALA A 86 10.836 6.167 11.856 1.00 2.48 H new ATOM 0 HA ALA A 86 9.751 3.433 12.116 1.00 2.58 H new ATOM 0 HB1 ALA A 86 9.536 3.811 14.556 1.00 3.19 H new ATOM 0 HB2 ALA A 86 11.238 3.813 14.035 1.00 3.19 H new ATOM 0 HB3 ALA A 86 10.413 5.351 14.385 1.00 3.19 H new ATOM 1321 N GLU A 87 7.546 4.426 11.782 1.00 2.01 N ATOM 1322 CA GLU A 87 6.186 4.923 11.628 1.00 1.67 C ATOM 1323 C GLU A 87 5.180 3.886 12.125 1.00 1.90 C ATOM 1324 O GLU A 87 4.694 3.058 11.354 1.00 2.39 O ATOM 1325 CB GLU A 87 5.920 5.290 10.165 1.00 2.04 C ATOM 1326 CG GLU A 87 6.116 4.137 9.195 1.00 2.47 C ATOM 1327 CD GLU A 87 6.016 4.566 7.746 1.00 3.23 C ATOM 1328 OE1 GLU A 87 4.935 5.043 7.343 1.00 3.80 O ATOM 1329 OE2 GLU A 87 7.017 4.423 7.015 1.00 3.66 O ATOM 0 H GLU A 87 7.710 3.518 11.347 1.00 2.01 H new ATOM 0 HA GLU A 87 6.069 5.823 12.232 1.00 1.67 H new ATOM 0 HB2 GLU A 87 4.899 5.659 10.073 1.00 2.04 H new ATOM 0 HB3 GLU A 87 6.581 6.108 9.880 1.00 2.04 H new ATOM 0 HG2 GLU A 87 7.092 3.684 9.369 1.00 2.47 H new ATOM 0 HG3 GLU A 87 5.368 3.369 9.394 1.00 2.47 H new ATOM 1336 N ARG A 88 4.882 3.919 13.419 1.00 1.97 N ATOM 1337 CA ARG A 88 3.948 2.962 14.003 1.00 2.47 C ATOM 1338 C ARG A 88 2.637 2.917 13.219 1.00 2.28 C ATOM 1339 O ARG A 88 2.233 1.859 12.736 1.00 2.54 O ATOM 1340 CB ARG A 88 3.676 3.309 15.467 1.00 2.97 C ATOM 1341 CG ARG A 88 4.917 3.257 16.342 1.00 3.30 C ATOM 1342 CD ARG A 88 4.584 3.558 17.796 1.00 3.95 C ATOM 1343 NE ARG A 88 5.764 3.495 18.653 1.00 4.47 N ATOM 1344 CZ ARG A 88 5.728 3.688 19.969 1.00 5.01 C ATOM 1345 NH1 ARG A 88 4.579 3.949 20.574 1.00 5.17 N ATOM 1346 NH2 ARG A 88 6.845 3.620 20.680 1.00 5.74 N ATOM 0 H ARG A 88 5.270 4.592 14.080 1.00 1.97 H new ATOM 0 HA ARG A 88 4.406 1.974 13.952 1.00 2.47 H new ATOM 0 HB2 ARG A 88 3.244 4.308 15.521 1.00 2.97 H new ATOM 0 HB3 ARG A 88 2.932 2.618 15.864 1.00 2.97 H new ATOM 0 HG2 ARG A 88 5.375 2.270 16.269 1.00 3.30 H new ATOM 0 HG3 ARG A 88 5.651 3.977 15.979 1.00 3.30 H new ATOM 0 HD2 ARG A 88 4.137 4.550 17.867 1.00 3.95 H new ATOM 0 HD3 ARG A 88 3.839 2.846 18.152 1.00 3.95 H new ATOM 0 HE ARG A 88 6.665 3.292 18.220 1.00 4.47 H new ATOM 0 HH11 ARG A 88 3.717 4.003 20.031 1.00 5.17 H new ATOM 0 HH12 ARG A 88 4.556 4.096 21.583 1.00 5.17 H new ATOM 0 HH21 ARG A 88 7.732 3.420 20.218 1.00 5.74 H new ATOM 0 HH22 ARG A 88 6.817 3.768 21.689 1.00 5.74 H new ATOM 1360 N TRP A 89 1.978 4.065 13.090 1.00 1.98 N ATOM 1361 CA TRP A 89 0.719 4.136 12.355 1.00 1.91 C ATOM 1362 C TRP A 89 0.800 5.133 11.203 1.00 1.60 C ATOM 1363 O TRP A 89 0.156 4.959 10.168 1.00 1.71 O ATOM 1364 CB TRP A 89 -0.429 4.539 13.285 1.00 2.11 C ATOM 1365 CG TRP A 89 -0.513 3.721 14.537 1.00 2.00 C ATOM 1366 CD1 TRP A 89 -1.216 2.564 14.715 1.00 2.28 C ATOM 1367 CD2 TRP A 89 0.102 4.016 15.795 1.00 2.29 C ATOM 1368 NE1 TRP A 89 -1.057 2.110 16.000 1.00 2.69 N ATOM 1369 CE2 TRP A 89 -0.254 2.985 16.685 1.00 2.74 C ATOM 1370 CE3 TRP A 89 0.925 5.048 16.254 1.00 2.65 C ATOM 1371 CZ2 TRP A 89 0.185 2.959 18.007 1.00 3.44 C ATOM 1372 CZ3 TRP A 89 1.358 5.021 17.567 1.00 3.33 C ATOM 1373 CH2 TRP A 89 0.987 3.981 18.430 1.00 3.70 C ATOM 0 H TRP A 89 2.292 4.953 13.482 1.00 1.98 H new ATOM 0 HA TRP A 89 0.529 3.143 11.948 1.00 1.91 H new ATOM 0 HB2 TRP A 89 -0.313 5.588 13.556 1.00 2.11 H new ATOM 0 HB3 TRP A 89 -1.370 4.452 12.742 1.00 2.11 H new ATOM 0 HD1 TRP A 89 -1.810 2.078 13.956 1.00 2.28 H new ATOM 0 HE1 TRP A 89 -1.469 1.259 16.383 1.00 2.69 H new ATOM 0 HE3 TRP A 89 1.218 5.852 15.595 1.00 2.65 H new ATOM 0 HZ2 TRP A 89 -0.099 2.159 18.674 1.00 3.44 H new ATOM 0 HZ3 TRP A 89 1.993 5.814 17.933 1.00 3.33 H new ATOM 0 HH2 TRP A 89 1.342 3.988 19.450 1.00 3.70 H new ATOM 1384 N GLY A 90 1.574 6.194 11.407 1.00 1.35 N ATOM 1385 CA GLY A 90 1.706 7.236 10.403 1.00 1.15 C ATOM 1386 C GLY A 90 2.466 6.810 9.167 1.00 1.08 C ATOM 1387 O GLY A 90 3.147 5.786 9.171 1.00 1.29 O ATOM 0 H GLY A 90 2.116 6.352 12.256 1.00 1.35 H new ATOM 0 HA2 GLY A 90 0.711 7.569 10.108 1.00 1.15 H new ATOM 0 HA3 GLY A 90 2.210 8.093 10.849 1.00 1.15 H new ATOM 1391 N PRO A 91 2.360 7.594 8.079 1.00 0.96 N ATOM 1392 CA PRO A 91 3.037 7.309 6.819 1.00 1.07 C ATOM 1393 C PRO A 91 4.425 7.944 6.750 1.00 1.17 C ATOM 1394 O PRO A 91 5.276 7.519 5.968 1.00 1.60 O ATOM 1395 CB PRO A 91 2.099 7.961 5.813 1.00 1.09 C ATOM 1396 CG PRO A 91 1.614 9.182 6.516 1.00 1.09 C ATOM 1397 CD PRO A 91 1.555 8.835 7.986 1.00 0.91 C ATOM 0 HA PRO A 91 3.213 6.245 6.657 1.00 1.07 H new ATOM 0 HB2 PRO A 91 2.617 8.212 4.888 1.00 1.09 H new ATOM 0 HB3 PRO A 91 1.275 7.299 5.547 1.00 1.09 H new ATOM 0 HG2 PRO A 91 2.286 10.022 6.342 1.00 1.09 H new ATOM 0 HG3 PRO A 91 0.632 9.478 6.147 1.00 1.09 H new ATOM 0 HD2 PRO A 91 1.971 9.631 8.604 1.00 0.91 H new ATOM 0 HD3 PRO A 91 0.530 8.675 8.320 1.00 0.91 H new ATOM 1405 N ARG A 92 4.636 8.968 7.577 1.00 0.93 N ATOM 1406 CA ARG A 92 5.908 9.685 7.630 1.00 1.03 C ATOM 1407 C ARG A 92 6.191 10.370 6.300 1.00 1.13 C ATOM 1408 O ARG A 92 5.838 11.529 6.093 1.00 1.95 O ATOM 1409 CB ARG A 92 7.054 8.732 8.017 1.00 1.21 C ATOM 1410 CG ARG A 92 8.266 9.437 8.620 1.00 1.04 C ATOM 1411 CD ARG A 92 8.957 10.331 7.606 1.00 1.71 C ATOM 1412 NE ARG A 92 9.794 11.345 8.239 1.00 2.57 N ATOM 1413 CZ ARG A 92 9.311 12.365 8.943 1.00 3.53 C ATOM 1414 NH1 ARG A 92 8.002 12.494 9.120 1.00 3.96 N ATOM 1415 NH2 ARG A 92 10.135 13.260 9.470 1.00 4.39 N ATOM 0 H ARG A 92 3.933 9.322 8.226 1.00 0.93 H new ATOM 0 HA ARG A 92 5.839 10.455 8.398 1.00 1.03 H new ATOM 0 HB2 ARG A 92 6.679 8.000 8.732 1.00 1.21 H new ATOM 0 HB3 ARG A 92 7.370 8.180 7.131 1.00 1.21 H new ATOM 0 HG2 ARG A 92 7.951 10.033 9.476 1.00 1.04 H new ATOM 0 HG3 ARG A 92 8.972 8.694 8.991 1.00 1.04 H new ATOM 0 HD2 ARG A 92 9.570 9.719 6.944 1.00 1.71 H new ATOM 0 HD3 ARG A 92 8.206 10.819 6.985 1.00 1.71 H new ATOM 0 HE ARG A 92 10.806 11.267 8.136 1.00 2.57 H new ATOM 0 HH11 ARG A 92 7.363 11.810 8.716 1.00 3.96 H new ATOM 0 HH12 ARG A 92 7.635 13.277 9.660 1.00 3.96 H new ATOM 0 HH21 ARG A 92 11.142 13.167 9.336 1.00 4.39 H new ATOM 0 HH22 ARG A 92 9.762 14.041 10.009 1.00 4.39 H new ATOM 1429 N THR A 93 6.825 9.635 5.417 1.00 0.94 N ATOM 1430 CA THR A 93 7.171 10.140 4.084 1.00 0.91 C ATOM 1431 C THR A 93 6.807 9.132 3.001 1.00 0.83 C ATOM 1432 O THR A 93 6.269 9.496 1.956 1.00 1.08 O ATOM 1433 CB THR A 93 8.665 10.458 3.989 1.00 1.02 C ATOM 1434 OG1 THR A 93 9.440 9.406 4.536 1.00 1.52 O ATOM 1435 CG2 THR A 93 9.061 11.741 4.682 1.00 1.47 C ATOM 0 H THR A 93 7.120 8.674 5.589 1.00 0.94 H new ATOM 0 HA THR A 93 6.597 11.054 3.928 1.00 0.91 H new ATOM 0 HB THR A 93 8.861 10.577 2.923 1.00 1.02 H new ATOM 0 HG1 THR A 93 9.914 8.940 3.816 1.00 1.52 H new ATOM 0 HG21 THR A 93 10.134 11.898 4.571 1.00 1.47 H new ATOM 0 HG22 THR A 93 8.524 12.577 4.235 1.00 1.47 H new ATOM 0 HG23 THR A 93 8.812 11.674 5.741 1.00 1.47 H new ATOM 1443 N LEU A 94 7.118 7.867 3.251 1.00 0.68 N ATOM 1444 CA LEU A 94 6.841 6.802 2.295 1.00 0.64 C ATOM 1445 C LEU A 94 6.832 5.449 2.999 1.00 0.56 C ATOM 1446 O LEU A 94 7.668 5.184 3.864 1.00 0.71 O ATOM 1447 CB LEU A 94 7.891 6.829 1.173 1.00 0.72 C ATOM 1448 CG LEU A 94 7.690 5.815 0.040 1.00 1.00 C ATOM 1449 CD1 LEU A 94 8.430 6.268 -1.210 1.00 1.44 C ATOM 1450 CD2 LEU A 94 8.180 4.436 0.459 1.00 1.87 C ATOM 0 H LEU A 94 7.565 7.552 4.112 1.00 0.68 H new ATOM 0 HA LEU A 94 5.856 6.960 1.855 1.00 0.64 H new ATOM 0 HB2 LEU A 94 7.906 7.829 0.740 1.00 0.72 H new ATOM 0 HB3 LEU A 94 8.872 6.659 1.616 1.00 0.72 H new ATOM 0 HG LEU A 94 6.624 5.755 -0.178 1.00 1.00 H new ATOM 0 HD11 LEU A 94 8.279 5.539 -2.006 1.00 1.44 H new ATOM 0 HD12 LEU A 94 8.047 7.238 -1.528 1.00 1.44 H new ATOM 0 HD13 LEU A 94 9.495 6.352 -0.992 1.00 1.44 H new ATOM 0 HD21 LEU A 94 8.028 3.732 -0.359 1.00 1.87 H new ATOM 0 HD22 LEU A 94 9.241 4.486 0.703 1.00 1.87 H new ATOM 0 HD23 LEU A 94 7.622 4.102 1.334 1.00 1.87 H new ATOM 1462 N ASP A 95 5.878 4.601 2.630 1.00 0.52 N ATOM 1463 CA ASP A 95 5.757 3.279 3.231 1.00 0.53 C ATOM 1464 C ASP A 95 4.772 2.426 2.447 1.00 0.46 C ATOM 1465 O ASP A 95 3.574 2.714 2.412 1.00 0.59 O ATOM 1466 CB ASP A 95 5.301 3.395 4.687 1.00 0.73 C ATOM 1467 CG ASP A 95 5.231 2.052 5.389 1.00 1.16 C ATOM 1468 OD1 ASP A 95 5.565 1.032 4.750 1.00 1.64 O ATOM 1469 OD2 ASP A 95 4.841 2.016 6.575 1.00 1.72 O ATOM 0 H ASP A 95 5.178 4.806 1.918 1.00 0.52 H new ATOM 0 HA ASP A 95 6.736 2.800 3.204 1.00 0.53 H new ATOM 0 HB2 ASP A 95 5.987 4.047 5.227 1.00 0.73 H new ATOM 0 HB3 ASP A 95 4.320 3.868 4.719 1.00 0.73 H new ATOM 1474 N LEU A 96 5.276 1.373 1.823 1.00 0.38 N ATOM 1475 CA LEU A 96 4.438 0.478 1.045 1.00 0.36 C ATOM 1476 C LEU A 96 4.588 -0.961 1.544 1.00 0.40 C ATOM 1477 O LEU A 96 5.664 -1.550 1.465 1.00 0.53 O ATOM 1478 CB LEU A 96 4.770 0.586 -0.450 1.00 0.43 C ATOM 1479 CG LEU A 96 6.212 0.252 -0.840 1.00 0.52 C ATOM 1480 CD1 LEU A 96 6.321 0.061 -2.345 1.00 0.97 C ATOM 1481 CD2 LEU A 96 7.159 1.352 -0.383 1.00 0.89 C ATOM 0 H LEU A 96 6.263 1.118 1.841 1.00 0.38 H new ATOM 0 HA LEU A 96 3.397 0.774 1.176 1.00 0.36 H new ATOM 0 HB2 LEU A 96 4.102 -0.078 -1.000 1.00 0.43 H new ATOM 0 HB3 LEU A 96 4.551 1.602 -0.779 1.00 0.43 H new ATOM 0 HG LEU A 96 6.495 -0.677 -0.345 1.00 0.52 H new ATOM 0 HD11 LEU A 96 7.352 -0.176 -2.608 1.00 0.97 H new ATOM 0 HD12 LEU A 96 5.670 -0.756 -2.656 1.00 0.97 H new ATOM 0 HD13 LEU A 96 6.019 0.978 -2.851 1.00 0.97 H new ATOM 0 HD21 LEU A 96 8.179 1.096 -0.669 1.00 0.89 H new ATOM 0 HD22 LEU A 96 6.876 2.294 -0.852 1.00 0.89 H new ATOM 0 HD23 LEU A 96 7.101 1.455 0.701 1.00 0.89 H new ATOM 1493 N ASP A 97 3.499 -1.504 2.083 1.00 0.38 N ATOM 1494 CA ASP A 97 3.499 -2.861 2.628 1.00 0.44 C ATOM 1495 C ASP A 97 2.492 -3.756 1.912 1.00 0.39 C ATOM 1496 O ASP A 97 1.437 -3.293 1.480 1.00 0.40 O ATOM 1497 CB ASP A 97 3.163 -2.814 4.120 1.00 0.55 C ATOM 1498 CG ASP A 97 4.219 -2.093 4.933 1.00 1.14 C ATOM 1499 OD1 ASP A 97 5.384 -2.542 4.925 1.00 1.93 O ATOM 1500 OD2 ASP A 97 3.882 -1.077 5.575 1.00 1.45 O ATOM 0 H ASP A 97 2.602 -1.024 2.155 1.00 0.38 H new ATOM 0 HA ASP A 97 4.493 -3.282 2.478 1.00 0.44 H new ATOM 0 HB2 ASP A 97 2.203 -2.317 4.257 1.00 0.55 H new ATOM 0 HB3 ASP A 97 3.052 -3.831 4.496 1.00 0.55 H new ATOM 1505 N ILE A 98 2.813 -5.048 1.809 1.00 0.39 N ATOM 1506 CA ILE A 98 1.916 -5.998 1.164 1.00 0.36 C ATOM 1507 C ILE A 98 0.564 -6.018 1.873 1.00 0.35 C ATOM 1508 O ILE A 98 0.426 -6.562 2.970 1.00 0.53 O ATOM 1509 CB ILE A 98 2.520 -7.434 1.106 1.00 0.36 C ATOM 1510 CG1 ILE A 98 3.340 -7.611 -0.175 1.00 0.48 C ATOM 1511 CG2 ILE A 98 1.433 -8.503 1.182 1.00 0.44 C ATOM 1512 CD1 ILE A 98 2.518 -7.517 -1.445 1.00 1.20 C ATOM 0 H ILE A 98 3.680 -5.453 2.162 1.00 0.39 H new ATOM 0 HA ILE A 98 1.777 -5.664 0.136 1.00 0.36 H new ATOM 0 HB ILE A 98 3.171 -7.556 1.972 1.00 0.36 H new ATOM 0 HG12 ILE A 98 4.122 -6.852 -0.202 1.00 0.48 H new ATOM 0 HG13 ILE A 98 3.837 -8.581 -0.146 1.00 0.48 H new ATOM 0 HG21 ILE A 98 1.891 -9.491 1.139 1.00 0.44 H new ATOM 0 HG22 ILE A 98 0.884 -8.398 2.118 1.00 0.44 H new ATOM 0 HG23 ILE A 98 0.747 -8.384 0.344 1.00 0.44 H new ATOM 0 HD11 ILE A 98 3.168 -7.652 -2.310 1.00 1.20 H new ATOM 0 HD12 ILE A 98 1.753 -8.293 -1.441 1.00 1.20 H new ATOM 0 HD13 ILE A 98 2.042 -6.538 -1.499 1.00 1.20 H new ATOM 1524 N MET A 99 -0.430 -5.409 1.234 1.00 0.32 N ATOM 1525 CA MET A 99 -1.776 -5.352 1.787 1.00 0.36 C ATOM 1526 C MET A 99 -2.611 -6.487 1.214 1.00 0.33 C ATOM 1527 O MET A 99 -3.624 -6.889 1.786 1.00 0.37 O ATOM 1528 CB MET A 99 -2.429 -4.005 1.466 1.00 0.43 C ATOM 1529 CG MET A 99 -1.585 -2.809 1.874 1.00 0.68 C ATOM 1530 SD MET A 99 -1.134 -2.835 3.619 1.00 1.56 S ATOM 1531 CE MET A 99 -0.146 -1.347 3.736 1.00 2.37 C ATOM 0 H MET A 99 -0.327 -4.947 0.330 1.00 0.32 H new ATOM 0 HA MET A 99 -1.719 -5.458 2.870 1.00 0.36 H new ATOM 0 HB2 MET A 99 -2.626 -3.952 0.395 1.00 0.43 H new ATOM 0 HB3 MET A 99 -3.393 -3.948 1.971 1.00 0.43 H new ATOM 0 HG2 MET A 99 -0.678 -2.787 1.269 1.00 0.68 H new ATOM 0 HG3 MET A 99 -2.134 -1.892 1.659 1.00 0.68 H new ATOM 0 HE1 MET A 99 0.266 -1.262 4.742 1.00 2.37 H new ATOM 0 HE2 MET A 99 0.668 -1.393 3.013 1.00 2.37 H new ATOM 0 HE3 MET A 99 -0.770 -0.479 3.525 1.00 2.37 H new ATOM 1541 N LEU A 100 -2.156 -7.002 0.079 1.00 0.30 N ATOM 1542 CA LEU A 100 -2.824 -8.100 -0.599 1.00 0.30 C ATOM 1543 C LEU A 100 -1.874 -8.739 -1.600 1.00 0.31 C ATOM 1544 O LEU A 100 -1.178 -8.043 -2.337 1.00 0.58 O ATOM 1545 CB LEU A 100 -4.102 -7.614 -1.294 1.00 0.30 C ATOM 1546 CG LEU A 100 -5.408 -8.081 -0.650 1.00 0.37 C ATOM 1547 CD1 LEU A 100 -6.605 -7.542 -1.416 1.00 0.40 C ATOM 1548 CD2 LEU A 100 -5.456 -9.601 -0.581 1.00 0.43 C ATOM 0 H LEU A 100 -1.316 -6.670 -0.395 1.00 0.30 H new ATOM 0 HA LEU A 100 -3.112 -8.848 0.140 1.00 0.30 H new ATOM 0 HB2 LEU A 100 -4.094 -6.524 -1.314 1.00 0.30 H new ATOM 0 HB3 LEU A 100 -4.085 -7.952 -2.330 1.00 0.30 H new ATOM 0 HG LEU A 100 -5.448 -7.690 0.367 1.00 0.37 H new ATOM 0 HD11 LEU A 100 -7.525 -7.885 -0.942 1.00 0.40 H new ATOM 0 HD12 LEU A 100 -6.579 -6.452 -1.411 1.00 0.40 H new ATOM 0 HD13 LEU A 100 -6.571 -7.901 -2.444 1.00 0.40 H new ATOM 0 HD21 LEU A 100 -6.392 -9.915 -0.120 1.00 0.43 H new ATOM 0 HD22 LEU A 100 -5.391 -10.013 -1.588 1.00 0.43 H new ATOM 0 HD23 LEU A 100 -4.619 -9.965 0.014 1.00 0.43 H new ATOM 1560 N PHE A 101 -1.834 -10.063 -1.612 1.00 0.36 N ATOM 1561 CA PHE A 101 -0.951 -10.784 -2.516 1.00 0.36 C ATOM 1562 C PHE A 101 -1.517 -12.167 -2.824 1.00 0.38 C ATOM 1563 O PHE A 101 -1.181 -13.150 -2.161 1.00 0.88 O ATOM 1564 CB PHE A 101 0.446 -10.905 -1.900 1.00 0.46 C ATOM 1565 CG PHE A 101 1.472 -11.459 -2.845 1.00 0.70 C ATOM 1566 CD1 PHE A 101 1.865 -10.740 -3.961 1.00 1.13 C ATOM 1567 CD2 PHE A 101 2.048 -12.699 -2.615 1.00 1.10 C ATOM 1568 CE1 PHE A 101 2.813 -11.245 -4.831 1.00 1.59 C ATOM 1569 CE2 PHE A 101 2.995 -13.210 -3.479 1.00 1.59 C ATOM 1570 CZ PHE A 101 3.366 -12.488 -4.600 1.00 1.75 C ATOM 0 H PHE A 101 -2.401 -10.658 -1.008 1.00 0.36 H new ATOM 0 HA PHE A 101 -0.876 -10.227 -3.450 1.00 0.36 H new ATOM 0 HB2 PHE A 101 0.771 -9.922 -1.560 1.00 0.46 H new ATOM 0 HB3 PHE A 101 0.392 -11.545 -1.019 1.00 0.46 H new ATOM 0 HD1 PHE A 101 1.425 -9.773 -4.154 1.00 1.13 H new ATOM 0 HD2 PHE A 101 1.752 -13.272 -1.749 1.00 1.10 H new ATOM 0 HE1 PHE A 101 3.120 -10.668 -5.690 1.00 1.59 H new ATOM 0 HE2 PHE A 101 3.446 -14.171 -3.281 1.00 1.59 H new ATOM 0 HZ PHE A 101 4.087 -12.897 -5.293 1.00 1.75 H new ATOM 1580 N GLY A 102 -2.388 -12.234 -3.827 1.00 0.58 N ATOM 1581 CA GLY A 102 -2.998 -13.496 -4.196 1.00 0.60 C ATOM 1582 C GLY A 102 -3.956 -13.993 -3.133 1.00 0.73 C ATOM 1583 O GLY A 102 -5.032 -13.424 -2.942 1.00 1.49 O ATOM 0 H GLY A 102 -2.681 -11.436 -4.390 1.00 0.58 H new ATOM 0 HA2 GLY A 102 -3.531 -13.379 -5.139 1.00 0.60 H new ATOM 0 HA3 GLY A 102 -2.220 -14.241 -4.360 1.00 0.60 H new ATOM 1587 N ASN A 103 -3.560 -15.046 -2.428 1.00 0.56 N ATOM 1588 CA ASN A 103 -4.386 -15.608 -1.367 1.00 0.58 C ATOM 1589 C ASN A 103 -3.523 -16.268 -0.298 1.00 0.52 C ATOM 1590 O ASN A 103 -4.036 -16.926 0.608 1.00 0.67 O ATOM 1591 CB ASN A 103 -5.396 -16.612 -1.935 1.00 0.76 C ATOM 1592 CG ASN A 103 -4.746 -17.820 -2.592 1.00 0.85 C ATOM 1593 OD1 ASN A 103 -3.419 -17.841 -2.650 1.00 1.55 O flip ATOM 1594 ND2 ASN A 103 -5.439 -18.729 -3.052 1.00 0.90 N flip ATOM 0 H ASN A 103 -2.672 -15.528 -2.572 1.00 0.56 H new ATOM 0 HA ASN A 103 -4.938 -14.790 -0.904 1.00 0.58 H new ATOM 0 HB2 ASN A 103 -6.049 -16.953 -1.131 1.00 0.76 H new ATOM 0 HB3 ASN A 103 -6.027 -16.106 -2.666 1.00 0.76 H new ATOM 0 HD21 ASN A 103 -6.456 -18.677 -2.989 1.00 0.90 H new ATOM 0 HD22 ASN A 103 -4.996 -19.533 -3.496 1.00 0.90 H new ATOM 1601 N GLU A 104 -2.209 -16.081 -0.402 1.00 0.43 N ATOM 1602 CA GLU A 104 -1.281 -16.653 0.567 1.00 0.42 C ATOM 1603 C GLU A 104 -1.454 -16.000 1.928 1.00 0.42 C ATOM 1604 O GLU A 104 -1.906 -14.860 2.029 1.00 0.58 O ATOM 1605 CB GLU A 104 0.177 -16.514 0.118 1.00 0.51 C ATOM 1606 CG GLU A 104 0.413 -15.480 -0.972 1.00 0.56 C ATOM 1607 CD GLU A 104 0.167 -16.027 -2.367 1.00 1.57 C ATOM 1608 OE1 GLU A 104 -0.961 -16.491 -2.632 1.00 2.29 O ATOM 1609 OE2 GLU A 104 1.103 -15.993 -3.195 1.00 2.14 O ATOM 0 H GLU A 104 -1.766 -15.540 -1.145 1.00 0.43 H new ATOM 0 HA GLU A 104 -1.516 -17.715 0.639 1.00 0.42 H new ATOM 0 HB2 GLU A 104 0.786 -16.254 0.984 1.00 0.51 H new ATOM 0 HB3 GLU A 104 0.527 -17.483 -0.238 1.00 0.51 H new ATOM 0 HG2 GLU A 104 -0.241 -14.624 -0.802 1.00 0.56 H new ATOM 0 HG3 GLU A 104 1.438 -15.116 -0.905 1.00 0.56 H new ATOM 1616 N VAL A 105 -1.093 -16.733 2.971 1.00 0.50 N ATOM 1617 CA VAL A 105 -1.206 -16.235 4.331 1.00 0.56 C ATOM 1618 C VAL A 105 -0.027 -16.700 5.177 1.00 0.61 C ATOM 1619 O VAL A 105 -0.095 -17.724 5.860 1.00 0.72 O ATOM 1620 CB VAL A 105 -2.524 -16.690 4.986 1.00 0.66 C ATOM 1621 CG1 VAL A 105 -2.579 -16.263 6.447 1.00 0.80 C ATOM 1622 CG2 VAL A 105 -3.715 -16.133 4.224 1.00 0.67 C ATOM 0 H VAL A 105 -0.718 -17.679 2.899 1.00 0.50 H new ATOM 0 HA VAL A 105 -1.201 -15.146 4.280 1.00 0.56 H new ATOM 0 HB VAL A 105 -2.565 -17.779 4.948 1.00 0.66 H new ATOM 0 HG11 VAL A 105 -3.519 -16.595 6.888 1.00 0.80 H new ATOM 0 HG12 VAL A 105 -1.746 -16.711 6.988 1.00 0.80 H new ATOM 0 HG13 VAL A 105 -2.512 -15.177 6.511 1.00 0.80 H new ATOM 0 HG21 VAL A 105 -4.638 -16.464 4.700 1.00 0.67 H new ATOM 0 HG22 VAL A 105 -3.674 -15.044 4.230 1.00 0.67 H new ATOM 0 HG23 VAL A 105 -3.688 -16.491 3.195 1.00 0.67 H new ATOM 1632 N ILE A 106 1.056 -15.937 5.123 1.00 0.58 N ATOM 1633 CA ILE A 106 2.257 -16.250 5.877 1.00 0.64 C ATOM 1634 C ILE A 106 2.904 -14.983 6.416 1.00 0.61 C ATOM 1635 O ILE A 106 3.137 -14.026 5.679 1.00 0.57 O ATOM 1636 CB ILE A 106 3.277 -17.041 5.029 1.00 0.74 C ATOM 1637 CG1 ILE A 106 3.035 -16.827 3.531 1.00 0.76 C ATOM 1638 CG2 ILE A 106 3.214 -18.521 5.372 1.00 1.31 C ATOM 1639 CD1 ILE A 106 3.279 -15.409 3.059 1.00 1.45 C ATOM 0 H ILE A 106 1.125 -15.090 4.559 1.00 0.58 H new ATOM 0 HA ILE A 106 1.954 -16.879 6.714 1.00 0.64 H new ATOM 0 HB ILE A 106 4.274 -16.668 5.264 1.00 0.74 H new ATOM 0 HG12 ILE A 106 3.682 -17.501 2.970 1.00 0.76 H new ATOM 0 HG13 ILE A 106 2.007 -17.104 3.297 1.00 0.76 H new ATOM 0 HG21 ILE A 106 3.938 -19.066 4.767 1.00 1.31 H new ATOM 0 HG22 ILE A 106 3.446 -18.660 6.428 1.00 1.31 H new ATOM 0 HG23 ILE A 106 2.212 -18.900 5.168 1.00 1.31 H new ATOM 0 HD11 ILE A 106 3.085 -15.344 1.988 1.00 1.45 H new ATOM 0 HD12 ILE A 106 2.613 -14.729 3.590 1.00 1.45 H new ATOM 0 HD13 ILE A 106 4.314 -15.132 3.258 1.00 1.45 H new ATOM 1651 N ASN A 107 3.170 -14.978 7.716 1.00 0.84 N ATOM 1652 CA ASN A 107 3.765 -13.821 8.366 1.00 0.90 C ATOM 1653 C ASN A 107 5.098 -14.190 9.007 1.00 0.91 C ATOM 1654 O ASN A 107 5.140 -14.904 10.009 1.00 1.02 O ATOM 1655 CB ASN A 107 2.810 -13.273 9.425 1.00 1.09 C ATOM 1656 CG ASN A 107 1.370 -13.254 8.943 1.00 1.00 C ATOM 1657 OD1 ASN A 107 0.750 -14.301 8.764 1.00 1.28 O ATOM 1658 ND2 ASN A 107 0.838 -12.060 8.712 1.00 1.21 N ATOM 0 H ASN A 107 2.983 -15.763 8.340 1.00 0.84 H new ATOM 0 HA ASN A 107 3.946 -13.054 7.613 1.00 0.90 H new ATOM 0 HB2 ASN A 107 2.882 -13.882 10.326 1.00 1.09 H new ATOM 0 HB3 ASN A 107 3.114 -12.262 9.698 1.00 1.09 H new ATOM 0 HD21 ASN A 107 -0.121 -11.986 8.373 1.00 1.21 H new ATOM 0 HD22 ASN A 107 1.388 -11.217 8.874 1.00 1.21 H new ATOM 1665 N THR A 108 6.185 -13.697 8.423 1.00 0.86 N ATOM 1666 CA THR A 108 7.520 -13.976 8.943 1.00 0.89 C ATOM 1667 C THR A 108 8.082 -12.764 9.686 1.00 0.91 C ATOM 1668 O THR A 108 7.353 -12.077 10.403 1.00 1.16 O ATOM 1669 CB THR A 108 8.459 -14.389 7.804 1.00 0.90 C ATOM 1670 OG1 THR A 108 8.598 -13.344 6.862 1.00 1.07 O ATOM 1671 CG2 THR A 108 7.991 -15.620 7.059 1.00 0.92 C ATOM 0 H THR A 108 6.169 -13.105 7.593 1.00 0.86 H new ATOM 0 HA THR A 108 7.444 -14.801 9.651 1.00 0.89 H new ATOM 0 HB THR A 108 9.411 -14.614 8.284 1.00 0.90 H new ATOM 0 HG1 THR A 108 9.203 -13.628 6.145 1.00 1.07 H new ATOM 0 HG21 THR A 108 8.701 -15.857 6.266 1.00 0.92 H new ATOM 0 HG22 THR A 108 7.924 -16.460 7.750 1.00 0.92 H new ATOM 0 HG23 THR A 108 7.010 -15.430 6.623 1.00 0.92 H new ATOM 1679 N GLU A 109 9.377 -12.507 9.515 1.00 0.83 N ATOM 1680 CA GLU A 109 10.027 -11.380 10.172 1.00 0.86 C ATOM 1681 C GLU A 109 9.350 -10.066 9.798 1.00 0.73 C ATOM 1682 O GLU A 109 8.629 -9.479 10.607 1.00 0.87 O ATOM 1683 CB GLU A 109 11.510 -11.338 9.800 1.00 0.95 C ATOM 1684 CG GLU A 109 12.278 -12.574 10.243 1.00 1.22 C ATOM 1685 CD GLU A 109 13.730 -12.549 9.813 1.00 1.93 C ATOM 1686 OE1 GLU A 109 13.987 -12.513 8.591 1.00 2.60 O ATOM 1687 OE2 GLU A 109 14.611 -12.564 10.698 1.00 2.37 O ATOM 0 H GLU A 109 9.995 -13.065 8.926 1.00 0.83 H new ATOM 0 HA GLU A 109 9.936 -11.513 11.250 1.00 0.86 H new ATOM 0 HB2 GLU A 109 11.603 -11.229 8.719 1.00 0.95 H new ATOM 0 HB3 GLU A 109 11.965 -10.456 10.250 1.00 0.95 H new ATOM 0 HG2 GLU A 109 12.227 -12.658 11.329 1.00 1.22 H new ATOM 0 HG3 GLU A 109 11.797 -13.462 9.832 1.00 1.22 H new ATOM 1694 N ARG A 110 9.576 -9.610 8.570 1.00 0.63 N ATOM 1695 CA ARG A 110 8.974 -8.370 8.094 1.00 0.64 C ATOM 1696 C ARG A 110 7.743 -8.663 7.246 1.00 0.66 C ATOM 1697 O ARG A 110 6.795 -7.878 7.217 1.00 0.77 O ATOM 1698 CB ARG A 110 9.975 -7.548 7.272 1.00 0.63 C ATOM 1699 CG ARG A 110 11.205 -7.103 8.048 1.00 0.86 C ATOM 1700 CD ARG A 110 12.190 -8.243 8.257 1.00 1.64 C ATOM 1701 NE ARG A 110 13.383 -7.804 8.972 1.00 2.22 N ATOM 1702 CZ ARG A 110 14.427 -8.590 9.222 1.00 2.77 C ATOM 1703 NH1 ARG A 110 14.428 -9.849 8.807 1.00 3.01 N ATOM 1704 NH2 ARG A 110 15.470 -8.114 9.885 1.00 3.68 N ATOM 0 H ARG A 110 10.171 -10.080 7.887 1.00 0.63 H new ATOM 0 HA ARG A 110 8.680 -7.791 8.969 1.00 0.64 H new ATOM 0 HB2 ARG A 110 10.295 -8.139 6.414 1.00 0.63 H new ATOM 0 HB3 ARG A 110 9.468 -6.666 6.880 1.00 0.63 H new ATOM 0 HG2 ARG A 110 11.698 -6.292 7.512 1.00 0.86 H new ATOM 0 HG3 ARG A 110 10.899 -6.706 9.016 1.00 0.86 H new ATOM 0 HD2 ARG A 110 11.706 -9.044 8.816 1.00 1.64 H new ATOM 0 HD3 ARG A 110 12.477 -8.657 7.290 1.00 1.64 H new ATOM 0 HE ARG A 110 13.419 -6.839 9.299 1.00 2.22 H new ATOM 0 HH11 ARG A 110 13.627 -10.218 8.294 1.00 3.01 H new ATOM 0 HH12 ARG A 110 15.230 -10.449 9.000 1.00 3.01 H new ATOM 0 HH21 ARG A 110 15.473 -7.145 10.204 1.00 3.68 H new ATOM 0 HH22 ARG A 110 16.271 -8.716 10.077 1.00 3.68 H new ATOM 1718 N LEU A 111 7.772 -9.795 6.547 1.00 0.62 N ATOM 1719 CA LEU A 111 6.666 -10.194 5.684 1.00 0.63 C ATOM 1720 C LEU A 111 5.332 -10.193 6.416 1.00 0.56 C ATOM 1721 O LEU A 111 5.160 -10.859 7.437 1.00 0.66 O ATOM 1722 CB LEU A 111 6.907 -11.583 5.083 1.00 0.73 C ATOM 1723 CG LEU A 111 5.637 -12.327 4.643 1.00 0.94 C ATOM 1724 CD1 LEU A 111 4.842 -11.510 3.635 1.00 1.15 C ATOM 1725 CD2 LEU A 111 5.975 -13.685 4.062 1.00 1.64 C ATOM 0 H LEU A 111 8.552 -10.453 6.562 1.00 0.62 H new ATOM 0 HA LEU A 111 6.620 -9.453 4.886 1.00 0.63 H new ATOM 0 HB2 LEU A 111 7.567 -11.481 4.222 1.00 0.73 H new ATOM 0 HB3 LEU A 111 7.433 -12.194 5.817 1.00 0.73 H new ATOM 0 HG LEU A 111 5.021 -12.473 5.530 1.00 0.94 H new ATOM 0 HD11 LEU A 111 3.949 -12.062 3.342 1.00 1.15 H new ATOM 0 HD12 LEU A 111 4.550 -10.561 4.085 1.00 1.15 H new ATOM 0 HD13 LEU A 111 5.456 -11.321 2.755 1.00 1.15 H new ATOM 0 HD21 LEU A 111 5.058 -14.190 3.759 1.00 1.64 H new ATOM 0 HD22 LEU A 111 6.623 -13.559 3.195 1.00 1.64 H new ATOM 0 HD23 LEU A 111 6.488 -14.285 4.814 1.00 1.64 H new ATOM 1737 N THR A 112 4.380 -9.469 5.844 1.00 0.46 N ATOM 1738 CA THR A 112 3.038 -9.399 6.381 1.00 0.42 C ATOM 1739 C THR A 112 2.024 -9.389 5.245 1.00 0.39 C ATOM 1740 O THR A 112 2.016 -8.478 4.416 1.00 0.43 O ATOM 1741 CB THR A 112 2.848 -8.159 7.255 1.00 0.45 C ATOM 1742 OG1 THR A 112 3.496 -7.036 6.693 1.00 0.65 O ATOM 1743 CG2 THR A 112 3.351 -8.329 8.674 1.00 0.68 C ATOM 0 H THR A 112 4.520 -8.917 4.998 1.00 0.46 H new ATOM 0 HA THR A 112 2.881 -10.279 7.005 1.00 0.42 H new ATOM 0 HB THR A 112 1.769 -8.007 7.294 1.00 0.45 H new ATOM 0 HG1 THR A 112 3.358 -6.256 7.270 1.00 0.65 H new ATOM 0 HG21 THR A 112 3.182 -7.408 9.233 1.00 0.68 H new ATOM 0 HG22 THR A 112 2.816 -9.148 9.154 1.00 0.68 H new ATOM 0 HG23 THR A 112 4.418 -8.553 8.658 1.00 0.68 H new ATOM 1751 N VAL A 113 1.161 -10.395 5.222 1.00 0.36 N ATOM 1752 CA VAL A 113 0.132 -10.488 4.199 1.00 0.38 C ATOM 1753 C VAL A 113 -1.047 -9.637 4.689 1.00 0.32 C ATOM 1754 O VAL A 113 -0.945 -9.108 5.793 1.00 0.30 O ATOM 1755 CB VAL A 113 -0.250 -11.977 3.964 1.00 0.45 C ATOM 1756 CG1 VAL A 113 -1.592 -12.334 4.584 1.00 1.52 C ATOM 1757 CG2 VAL A 113 -0.224 -12.316 2.479 1.00 1.18 C ATOM 0 H VAL A 113 1.154 -11.157 5.900 1.00 0.36 H new ATOM 0 HA VAL A 113 0.471 -10.113 3.234 1.00 0.38 H new ATOM 0 HB VAL A 113 0.502 -12.584 4.469 1.00 0.45 H new ATOM 0 HG11 VAL A 113 -1.814 -13.384 4.392 1.00 1.52 H new ATOM 0 HG12 VAL A 113 -1.553 -12.162 5.660 1.00 1.52 H new ATOM 0 HG13 VAL A 113 -2.372 -11.713 4.145 1.00 1.52 H new ATOM 0 HG21 VAL A 113 -0.495 -13.363 2.340 1.00 1.18 H new ATOM 0 HG22 VAL A 113 -0.936 -11.684 1.949 1.00 1.18 H new ATOM 0 HG23 VAL A 113 0.777 -12.145 2.084 1.00 1.18 H new ATOM 1767 N PRO A 114 -2.164 -9.458 3.925 1.00 0.35 N ATOM 1768 CA PRO A 114 -3.296 -8.647 4.354 1.00 0.36 C ATOM 1769 C PRO A 114 -3.285 -8.373 5.853 1.00 0.33 C ATOM 1770 O PRO A 114 -3.821 -9.136 6.657 1.00 0.35 O ATOM 1771 CB PRO A 114 -4.458 -9.529 3.915 1.00 0.43 C ATOM 1772 CG PRO A 114 -3.969 -10.182 2.644 1.00 0.46 C ATOM 1773 CD PRO A 114 -2.457 -10.009 2.600 1.00 0.42 C ATOM 0 HA PRO A 114 -3.318 -7.642 3.932 1.00 0.36 H new ATOM 0 HB2 PRO A 114 -4.704 -10.271 4.675 1.00 0.43 H new ATOM 0 HB3 PRO A 114 -5.359 -8.942 3.740 1.00 0.43 H new ATOM 0 HG2 PRO A 114 -4.236 -11.239 2.628 1.00 0.46 H new ATOM 0 HG3 PRO A 114 -4.434 -9.722 1.772 1.00 0.46 H new ATOM 0 HD2 PRO A 114 -1.945 -10.956 2.432 1.00 0.42 H new ATOM 0 HD3 PRO A 114 -2.149 -9.334 1.802 1.00 0.42 H new ATOM 1781 N HIS A 115 -2.615 -7.276 6.205 1.00 0.33 N ATOM 1782 CA HIS A 115 -2.440 -6.853 7.586 1.00 0.33 C ATOM 1783 C HIS A 115 -3.726 -6.269 8.149 1.00 0.34 C ATOM 1784 O HIS A 115 -4.177 -5.218 7.700 1.00 0.46 O ATOM 1785 CB HIS A 115 -1.322 -5.808 7.627 1.00 0.39 C ATOM 1786 CG HIS A 115 -0.605 -5.712 8.937 1.00 0.44 C ATOM 1787 ND1 HIS A 115 -0.125 -6.812 9.616 1.00 0.97 N ATOM 1788 CD2 HIS A 115 -0.250 -4.633 9.673 1.00 0.76 C ATOM 1789 CE1 HIS A 115 0.493 -6.414 10.713 1.00 0.87 C ATOM 1790 NE2 HIS A 115 0.429 -5.097 10.771 1.00 0.67 N ATOM 0 H HIS A 115 -2.175 -6.652 5.529 1.00 0.33 H new ATOM 0 HA HIS A 115 -2.178 -7.715 8.199 1.00 0.33 H new ATOM 0 HB2 HIS A 115 -0.597 -6.041 6.847 1.00 0.39 H new ATOM 0 HB3 HIS A 115 -1.746 -4.833 7.388 1.00 0.39 H new ATOM 0 HD2 HIS A 115 -0.462 -3.600 9.440 1.00 0.76 H new ATOM 0 HE1 HIS A 115 0.969 -7.056 11.439 1.00 0.87 H new ATOM 0 HE2 HIS A 115 0.821 -4.517 11.513 1.00 0.67 H new ATOM 1799 N TYR A 116 -4.304 -6.957 9.137 1.00 0.34 N ATOM 1800 CA TYR A 116 -5.545 -6.510 9.774 1.00 0.42 C ATOM 1801 C TYR A 116 -5.603 -4.987 9.865 1.00 0.43 C ATOM 1802 O TYR A 116 -5.114 -4.385 10.821 1.00 0.49 O ATOM 1803 CB TYR A 116 -5.699 -7.143 11.165 1.00 0.52 C ATOM 1804 CG TYR A 116 -4.398 -7.351 11.924 1.00 0.70 C ATOM 1805 CD1 TYR A 116 -3.394 -6.388 11.933 1.00 1.13 C ATOM 1806 CD2 TYR A 116 -4.184 -8.522 12.644 1.00 0.89 C ATOM 1807 CE1 TYR A 116 -2.219 -6.587 12.634 1.00 1.64 C ATOM 1808 CE2 TYR A 116 -3.010 -8.726 13.345 1.00 1.31 C ATOM 1809 CZ TYR A 116 -2.032 -7.756 13.337 1.00 1.68 C ATOM 1810 OH TYR A 116 -0.865 -7.955 14.036 1.00 2.22 O ATOM 0 H TYR A 116 -3.931 -7.828 9.514 1.00 0.34 H new ATOM 0 HA TYR A 116 -6.377 -6.839 9.152 1.00 0.42 H new ATOM 0 HB2 TYR A 116 -6.355 -6.512 11.764 1.00 0.52 H new ATOM 0 HB3 TYR A 116 -6.197 -8.107 11.056 1.00 0.52 H new ATOM 0 HD1 TYR A 116 -3.535 -5.469 11.383 1.00 1.13 H new ATOM 0 HD2 TYR A 116 -4.948 -9.285 12.656 1.00 0.89 H new ATOM 0 HE1 TYR A 116 -1.451 -5.828 12.630 1.00 1.64 H new ATOM 0 HE2 TYR A 116 -2.860 -9.642 13.897 1.00 1.31 H new ATOM 0 HH TYR A 116 -0.893 -8.829 14.478 1.00 2.22 H new ATOM 1820 N ASP A 117 -6.197 -4.368 8.844 1.00 0.42 N ATOM 1821 CA ASP A 117 -6.305 -2.916 8.781 1.00 0.50 C ATOM 1822 C ASP A 117 -7.050 -2.488 7.520 1.00 0.52 C ATOM 1823 O ASP A 117 -8.133 -1.916 7.595 1.00 0.73 O ATOM 1824 CB ASP A 117 -4.907 -2.289 8.784 1.00 0.52 C ATOM 1825 CG ASP A 117 -4.938 -0.796 9.050 1.00 0.67 C ATOM 1826 OD1 ASP A 117 -5.571 -0.066 8.259 1.00 1.07 O ATOM 1827 OD2 ASP A 117 -4.333 -0.359 10.051 1.00 0.87 O ATOM 0 H ASP A 117 -6.611 -4.854 8.049 1.00 0.42 H new ATOM 0 HA ASP A 117 -6.861 -2.574 9.653 1.00 0.50 H new ATOM 0 HB2 ASP A 117 -4.296 -2.777 9.543 1.00 0.52 H new ATOM 0 HB3 ASP A 117 -4.428 -2.473 7.822 1.00 0.52 H new ATOM 1832 N MET A 118 -6.447 -2.771 6.364 1.00 0.38 N ATOM 1833 CA MET A 118 -7.024 -2.416 5.064 1.00 0.39 C ATOM 1834 C MET A 118 -8.498 -2.764 4.983 1.00 0.38 C ATOM 1835 O MET A 118 -9.304 -2.044 4.402 1.00 0.45 O ATOM 1836 CB MET A 118 -6.298 -3.169 3.945 1.00 0.44 C ATOM 1837 CG MET A 118 -6.494 -4.676 3.963 1.00 0.48 C ATOM 1838 SD MET A 118 -5.501 -5.490 5.222 1.00 1.29 S ATOM 1839 CE MET A 118 -3.857 -4.995 4.710 1.00 2.05 C ATOM 0 H MET A 118 -5.549 -3.251 6.301 1.00 0.38 H new ATOM 0 HA MET A 118 -6.907 -1.338 4.949 1.00 0.39 H new ATOM 0 HB2 MET A 118 -6.640 -2.783 2.985 1.00 0.44 H new ATOM 0 HB3 MET A 118 -5.232 -2.954 4.013 1.00 0.44 H new ATOM 0 HG2 MET A 118 -7.547 -4.899 4.136 1.00 0.48 H new ATOM 0 HG3 MET A 118 -6.238 -5.083 2.985 1.00 0.48 H new ATOM 0 HE1 MET A 118 -3.252 -4.777 5.590 1.00 2.05 H new ATOM 0 HE2 MET A 118 -3.394 -5.802 4.143 1.00 2.05 H new ATOM 0 HE3 MET A 118 -3.923 -4.104 4.085 1.00 2.05 H new ATOM 1849 N LYS A 119 -8.814 -3.886 5.564 1.00 0.40 N ATOM 1850 CA LYS A 119 -10.165 -4.410 5.580 1.00 0.47 C ATOM 1851 C LYS A 119 -11.084 -3.479 6.341 1.00 0.50 C ATOM 1852 O LYS A 119 -12.208 -3.206 5.923 1.00 0.80 O ATOM 1853 CB LYS A 119 -10.119 -5.796 6.184 1.00 0.57 C ATOM 1854 CG LYS A 119 -9.357 -5.836 7.495 1.00 0.69 C ATOM 1855 CD LYS A 119 -9.343 -7.234 8.098 1.00 0.80 C ATOM 1856 CE LYS A 119 -8.573 -8.212 7.223 1.00 1.02 C ATOM 1857 NZ LYS A 119 -7.145 -7.813 7.073 1.00 1.93 N ATOM 0 H LYS A 119 -8.137 -4.476 6.048 1.00 0.40 H new ATOM 0 HA LYS A 119 -10.568 -4.479 4.570 1.00 0.47 H new ATOM 0 HB2 LYS A 119 -11.137 -6.151 6.348 1.00 0.57 H new ATOM 0 HB3 LYS A 119 -9.653 -6.482 5.476 1.00 0.57 H new ATOM 0 HG2 LYS A 119 -8.333 -5.501 7.331 1.00 0.69 H new ATOM 0 HG3 LYS A 119 -9.811 -5.140 8.201 1.00 0.69 H new ATOM 0 HD2 LYS A 119 -8.892 -7.199 9.090 1.00 0.80 H new ATOM 0 HD3 LYS A 119 -10.367 -7.586 8.225 1.00 0.80 H new ATOM 0 HE2 LYS A 119 -8.628 -9.210 7.658 1.00 1.02 H new ATOM 0 HE3 LYS A 119 -9.041 -8.266 6.240 1.00 1.02 H new ATOM 0 HZ1 LYS A 119 -6.819 -8.043 6.113 1.00 1.93 H new ATOM 0 HZ2 LYS A 119 -7.052 -6.790 7.234 1.00 1.93 H new ATOM 0 HZ3 LYS A 119 -6.566 -8.327 7.767 1.00 1.93 H new ATOM 1871 N ASN A 120 -10.562 -2.953 7.427 1.00 0.49 N ATOM 1872 CA ASN A 120 -11.273 -1.990 8.237 1.00 0.52 C ATOM 1873 C ASN A 120 -10.693 -0.624 7.918 1.00 0.56 C ATOM 1874 O ASN A 120 -10.497 0.210 8.801 1.00 0.74 O ATOM 1875 CB ASN A 120 -11.107 -2.317 9.722 1.00 0.53 C ATOM 1876 CG ASN A 120 -9.656 -2.536 10.103 1.00 1.17 C ATOM 1877 OD1 ASN A 120 -9.032 -3.504 9.674 1.00 2.11 O ATOM 1878 ND2 ASN A 120 -9.109 -1.634 10.910 1.00 1.30 N ATOM 0 H ASN A 120 -9.630 -3.182 7.774 1.00 0.49 H new ATOM 0 HA ASN A 120 -12.341 -2.012 8.019 1.00 0.52 H new ATOM 0 HB2 ASN A 120 -11.519 -1.503 10.319 1.00 0.53 H new ATOM 0 HB3 ASN A 120 -11.682 -3.211 9.962 1.00 0.53 H new ATOM 0 HD21 ASN A 120 -8.135 -1.730 11.197 1.00 1.30 H new ATOM 0 HD22 ASN A 120 -9.663 -0.845 11.243 1.00 1.30 H new ATOM 1885 N ARG A 121 -10.352 -0.437 6.637 1.00 0.49 N ATOM 1886 CA ARG A 121 -9.719 0.779 6.185 1.00 0.58 C ATOM 1887 C ARG A 121 -9.709 0.909 4.650 1.00 0.63 C ATOM 1888 O ARG A 121 -8.875 0.302 3.979 1.00 1.07 O ATOM 1889 CB ARG A 121 -8.289 0.742 6.709 1.00 0.64 C ATOM 1890 CG ARG A 121 -7.372 1.763 6.110 1.00 0.91 C ATOM 1891 CD ARG A 121 -7.754 3.169 6.538 1.00 1.24 C ATOM 1892 NE ARG A 121 -9.036 3.600 5.980 1.00 1.84 N ATOM 1893 CZ ARG A 121 -9.572 4.796 6.199 1.00 2.55 C ATOM 1894 NH1 ARG A 121 -8.942 5.681 6.960 1.00 2.86 N ATOM 1895 NH2 ARG A 121 -10.738 5.112 5.651 1.00 3.50 N ATOM 0 H ARG A 121 -10.511 -1.125 5.901 1.00 0.49 H new ATOM 0 HA ARG A 121 -10.276 1.639 6.558 1.00 0.58 H new ATOM 0 HB2 ARG A 121 -8.310 0.883 7.790 1.00 0.64 H new ATOM 0 HB3 ARG A 121 -7.875 -0.249 6.525 1.00 0.64 H new ATOM 0 HG2 ARG A 121 -6.346 1.555 6.413 1.00 0.91 H new ATOM 0 HG3 ARG A 121 -7.404 1.690 5.023 1.00 0.91 H new ATOM 0 HD2 ARG A 121 -7.803 3.213 7.626 1.00 1.24 H new ATOM 0 HD3 ARG A 121 -6.974 3.864 6.226 1.00 1.24 H new ATOM 0 HE ARG A 121 -9.548 2.945 5.389 1.00 1.84 H new ATOM 0 HH11 ARG A 121 -8.043 5.445 7.379 1.00 2.86 H new ATOM 0 HH12 ARG A 121 -9.357 6.598 7.126 1.00 2.86 H new ATOM 0 HH21 ARG A 121 -11.224 4.437 5.061 1.00 3.50 H new ATOM 0 HH22 ARG A 121 -11.149 6.030 5.820 1.00 3.50 H new ATOM 1909 N GLY A 122 -10.608 1.734 4.103 1.00 0.62 N ATOM 1910 CA GLY A 122 -10.641 1.949 2.659 1.00 0.61 C ATOM 1911 C GLY A 122 -9.303 2.437 2.136 1.00 0.56 C ATOM 1912 O GLY A 122 -8.962 2.187 0.993 1.00 0.70 O ATOM 0 H GLY A 122 -11.310 2.254 4.630 1.00 0.62 H new ATOM 0 HA2 GLY A 122 -10.911 1.019 2.158 1.00 0.61 H new ATOM 0 HA3 GLY A 122 -11.415 2.678 2.417 1.00 0.61 H new ATOM 1916 N PHE A 123 -8.529 3.115 2.980 1.00 0.52 N ATOM 1917 CA PHE A 123 -7.223 3.629 2.575 1.00 0.58 C ATOM 1918 C PHE A 123 -6.485 2.596 1.766 1.00 0.42 C ATOM 1919 O PHE A 123 -5.830 2.903 0.770 1.00 0.43 O ATOM 1920 CB PHE A 123 -6.394 4.032 3.801 1.00 0.84 C ATOM 1921 CG PHE A 123 -4.911 4.109 3.557 1.00 1.19 C ATOM 1922 CD1 PHE A 123 -4.392 4.836 2.496 1.00 2.11 C ATOM 1923 CD2 PHE A 123 -4.032 3.446 4.399 1.00 1.62 C ATOM 1924 CE1 PHE A 123 -3.028 4.898 2.281 1.00 3.16 C ATOM 1925 CE2 PHE A 123 -2.669 3.505 4.189 1.00 2.59 C ATOM 1926 CZ PHE A 123 -2.166 4.231 3.129 1.00 3.31 C ATOM 0 H PHE A 123 -8.783 3.321 3.946 1.00 0.52 H new ATOM 0 HA PHE A 123 -7.379 4.515 1.959 1.00 0.58 H new ATOM 0 HB2 PHE A 123 -6.742 5.003 4.155 1.00 0.84 H new ATOM 0 HB3 PHE A 123 -6.581 3.315 4.601 1.00 0.84 H new ATOM 0 HD1 PHE A 123 -5.062 5.360 1.830 1.00 2.11 H new ATOM 0 HD2 PHE A 123 -4.419 2.876 5.231 1.00 1.62 H new ATOM 0 HE1 PHE A 123 -2.637 5.467 1.451 1.00 3.16 H new ATOM 0 HE2 PHE A 123 -1.997 2.983 4.854 1.00 2.59 H new ATOM 0 HZ PHE A 123 -1.100 4.278 2.963 1.00 3.31 H new ATOM 1936 N MET A 124 -6.591 1.373 2.218 1.00 0.37 N ATOM 1937 CA MET A 124 -5.919 0.266 1.555 1.00 0.38 C ATOM 1938 C MET A 124 -6.786 -0.436 0.506 1.00 0.38 C ATOM 1939 O MET A 124 -6.314 -0.740 -0.588 1.00 0.57 O ATOM 1940 CB MET A 124 -5.408 -0.719 2.597 1.00 0.50 C ATOM 1941 CG MET A 124 -4.398 -0.101 3.556 1.00 0.90 C ATOM 1942 SD MET A 124 -3.813 -1.257 4.811 1.00 1.99 S ATOM 1943 CE MET A 124 -2.727 -0.199 5.764 1.00 2.44 C ATOM 0 H MET A 124 -7.134 1.110 3.041 1.00 0.37 H new ATOM 0 HA MET A 124 -5.078 0.685 1.002 1.00 0.38 H new ATOM 0 HB2 MET A 124 -6.252 -1.106 3.167 1.00 0.50 H new ATOM 0 HB3 MET A 124 -4.948 -1.568 2.091 1.00 0.50 H new ATOM 0 HG2 MET A 124 -3.546 0.270 2.987 1.00 0.90 H new ATOM 0 HG3 MET A 124 -4.852 0.760 4.047 1.00 0.90 H new ATOM 0 HE1 MET A 124 -2.054 -0.813 6.363 1.00 2.44 H new ATOM 0 HE2 MET A 124 -2.143 0.426 5.088 1.00 2.44 H new ATOM 0 HE3 MET A 124 -3.322 0.435 6.422 1.00 2.44 H new ATOM 1953 N LEU A 125 -8.035 -0.728 0.855 1.00 0.37 N ATOM 1954 CA LEU A 125 -8.937 -1.438 -0.055 1.00 0.41 C ATOM 1955 C LEU A 125 -9.594 -0.520 -1.087 1.00 0.34 C ATOM 1956 O LEU A 125 -9.630 -0.852 -2.272 1.00 0.40 O ATOM 1957 CB LEU A 125 -10.012 -2.162 0.741 1.00 0.53 C ATOM 1958 CG LEU A 125 -9.508 -3.185 1.756 1.00 0.61 C ATOM 1959 CD1 LEU A 125 -10.679 -3.942 2.347 1.00 0.85 C ATOM 1960 CD2 LEU A 125 -8.512 -4.147 1.125 1.00 0.76 C ATOM 0 H LEU A 125 -8.447 -0.487 1.756 1.00 0.37 H new ATOM 0 HA LEU A 125 -8.326 -2.153 -0.606 1.00 0.41 H new ATOM 0 HB2 LEU A 125 -10.610 -1.419 1.268 1.00 0.53 H new ATOM 0 HB3 LEU A 125 -10.677 -2.669 0.042 1.00 0.53 H new ATOM 0 HG LEU A 125 -8.989 -2.651 2.552 1.00 0.61 H new ATOM 0 HD11 LEU A 125 -10.313 -4.671 3.071 1.00 0.85 H new ATOM 0 HD12 LEU A 125 -11.351 -3.242 2.844 1.00 0.85 H new ATOM 0 HD13 LEU A 125 -11.217 -4.459 1.552 1.00 0.85 H new ATOM 0 HD21 LEU A 125 -8.172 -4.862 1.874 1.00 0.76 H new ATOM 0 HD22 LEU A 125 -8.992 -4.681 0.305 1.00 0.76 H new ATOM 0 HD23 LEU A 125 -7.658 -3.588 0.744 1.00 0.76 H new ATOM 1972 N TRP A 126 -10.124 0.617 -0.640 1.00 0.31 N ATOM 1973 CA TRP A 126 -10.786 1.556 -1.514 1.00 0.32 C ATOM 1974 C TRP A 126 -9.979 1.792 -2.813 1.00 0.29 C ATOM 1975 O TRP A 126 -10.502 1.561 -3.902 1.00 0.31 O ATOM 1976 CB TRP A 126 -11.036 2.822 -0.680 1.00 0.38 C ATOM 1977 CG TRP A 126 -10.701 4.103 -1.344 1.00 0.46 C ATOM 1978 CD1 TRP A 126 -11.219 4.632 -2.461 1.00 0.46 C ATOM 1979 CD2 TRP A 126 -9.715 4.980 -0.899 1.00 0.93 C ATOM 1980 NE1 TRP A 126 -10.559 5.799 -2.776 1.00 0.54 N ATOM 1981 CE2 TRP A 126 -9.615 6.022 -1.808 1.00 0.94 C ATOM 1982 CE3 TRP A 126 -8.900 4.935 0.194 1.00 1.45 C ATOM 1983 CZ2 TRP A 126 -8.688 7.037 -1.647 1.00 1.42 C ATOM 1984 CZ3 TRP A 126 -7.969 5.936 0.370 1.00 1.96 C ATOM 1985 CH2 TRP A 126 -7.864 6.979 -0.554 1.00 1.93 C ATOM 0 H TRP A 126 -10.101 0.904 0.339 1.00 0.31 H new ATOM 0 HA TRP A 126 -11.741 1.175 -1.875 1.00 0.32 H new ATOM 0 HB2 TRP A 126 -12.088 2.846 -0.395 1.00 0.38 H new ATOM 0 HB3 TRP A 126 -10.458 2.749 0.241 1.00 0.38 H new ATOM 0 HD1 TRP A 126 -12.033 4.207 -3.029 1.00 0.46 H new ATOM 0 HE1 TRP A 126 -10.741 6.392 -3.586 1.00 0.54 H new ATOM 0 HE3 TRP A 126 -8.983 4.129 0.909 1.00 1.45 H new ATOM 0 HZ2 TRP A 126 -8.617 7.847 -2.358 1.00 1.42 H new ATOM 0 HZ3 TRP A 126 -7.315 5.914 1.229 1.00 1.96 H new ATOM 0 HH2 TRP A 126 -7.123 7.750 -0.404 1.00 1.93 H new ATOM 1996 N PRO A 127 -8.704 2.237 -2.740 1.00 0.28 N ATOM 1997 CA PRO A 127 -7.866 2.470 -3.934 1.00 0.29 C ATOM 1998 C PRO A 127 -7.546 1.177 -4.669 1.00 0.28 C ATOM 1999 O PRO A 127 -7.569 1.120 -5.899 1.00 0.31 O ATOM 2000 CB PRO A 127 -6.580 3.068 -3.345 1.00 0.30 C ATOM 2001 CG PRO A 127 -7.008 3.587 -2.028 1.00 0.31 C ATOM 2002 CD PRO A 127 -7.965 2.562 -1.521 1.00 0.29 C ATOM 0 HA PRO A 127 -8.362 3.108 -4.665 1.00 0.29 H new ATOM 0 HB2 PRO A 127 -5.798 2.316 -3.244 1.00 0.30 H new ATOM 0 HB3 PRO A 127 -6.180 3.861 -3.977 1.00 0.30 H new ATOM 0 HG2 PRO A 127 -6.160 3.708 -1.354 1.00 0.31 H new ATOM 0 HG3 PRO A 127 -7.483 4.564 -2.121 1.00 0.31 H new ATOM 0 HD2 PRO A 127 -7.455 1.693 -1.105 1.00 0.29 H new ATOM 0 HD3 PRO A 127 -8.614 2.956 -0.739 1.00 0.29 H new ATOM 2010 N LEU A 128 -7.246 0.142 -3.894 1.00 0.25 N ATOM 2011 CA LEU A 128 -6.917 -1.174 -4.433 1.00 0.26 C ATOM 2012 C LEU A 128 -8.005 -1.646 -5.387 1.00 0.27 C ATOM 2013 O LEU A 128 -7.744 -2.373 -6.347 1.00 0.29 O ATOM 2014 CB LEU A 128 -6.798 -2.169 -3.282 1.00 0.26 C ATOM 2015 CG LEU A 128 -5.628 -3.133 -3.352 1.00 0.29 C ATOM 2016 CD1 LEU A 128 -4.325 -2.409 -3.042 1.00 0.30 C ATOM 2017 CD2 LEU A 128 -5.849 -4.283 -2.382 1.00 0.44 C ATOM 0 H LEU A 128 -7.224 0.190 -2.875 1.00 0.25 H new ATOM 0 HA LEU A 128 -5.974 -1.108 -4.976 1.00 0.26 H new ATOM 0 HB2 LEU A 128 -6.726 -1.609 -2.350 1.00 0.26 H new ATOM 0 HB3 LEU A 128 -7.719 -2.750 -3.234 1.00 0.26 H new ATOM 0 HG LEU A 128 -5.559 -3.536 -4.362 1.00 0.29 H new ATOM 0 HD11 LEU A 128 -3.495 -3.114 -3.096 1.00 0.30 H new ATOM 0 HD12 LEU A 128 -4.171 -1.611 -3.768 1.00 0.30 H new ATOM 0 HD13 LEU A 128 -4.375 -1.984 -2.040 1.00 0.30 H new ATOM 0 HD21 LEU A 128 -5.006 -4.972 -2.436 1.00 0.44 H new ATOM 0 HD22 LEU A 128 -5.934 -3.892 -1.368 1.00 0.44 H new ATOM 0 HD23 LEU A 128 -6.766 -4.810 -2.645 1.00 0.44 H new ATOM 2029 N PHE A 129 -9.227 -1.227 -5.093 1.00 0.28 N ATOM 2030 CA PHE A 129 -10.402 -1.588 -5.885 1.00 0.30 C ATOM 2031 C PHE A 129 -10.205 -1.254 -7.368 1.00 0.30 C ATOM 2032 O PHE A 129 -10.964 -1.703 -8.221 1.00 0.32 O ATOM 2033 CB PHE A 129 -11.622 -0.830 -5.347 1.00 0.36 C ATOM 2034 CG PHE A 129 -12.882 -1.029 -6.147 1.00 0.42 C ATOM 2035 CD1 PHE A 129 -13.523 -2.257 -6.149 1.00 0.47 C ATOM 2036 CD2 PHE A 129 -13.425 0.006 -6.888 1.00 0.48 C ATOM 2037 CE1 PHE A 129 -14.683 -2.448 -6.876 1.00 0.55 C ATOM 2038 CE2 PHE A 129 -14.585 -0.178 -7.617 1.00 0.56 C ATOM 2039 CZ PHE A 129 -15.206 -1.383 -7.631 1.00 0.58 C ATOM 0 H PHE A 129 -9.436 -0.625 -4.297 1.00 0.28 H new ATOM 0 HA PHE A 129 -10.555 -2.664 -5.801 1.00 0.30 H new ATOM 0 HB2 PHE A 129 -11.805 -1.144 -4.320 1.00 0.36 H new ATOM 0 HB3 PHE A 129 -11.389 0.234 -5.318 1.00 0.36 H new ATOM 0 HD1 PHE A 129 -13.112 -3.075 -5.576 1.00 0.47 H new ATOM 0 HD2 PHE A 129 -12.937 0.969 -6.897 1.00 0.48 H new ATOM 0 HE1 PHE A 129 -15.183 -3.405 -6.864 1.00 0.55 H new ATOM 0 HE2 PHE A 129 -15.000 0.645 -8.180 1.00 0.56 H new ATOM 0 HZ PHE A 129 -16.100 -1.525 -8.220 1.00 0.58 H new ATOM 2049 N GLU A 130 -9.200 -0.440 -7.671 1.00 0.29 N ATOM 2050 CA GLU A 130 -8.938 -0.042 -9.048 1.00 0.31 C ATOM 2051 C GLU A 130 -7.719 -0.757 -9.623 1.00 0.29 C ATOM 2052 O GLU A 130 -7.647 -0.991 -10.831 1.00 0.32 O ATOM 2053 CB GLU A 130 -8.758 1.477 -9.140 1.00 0.36 C ATOM 2054 CG GLU A 130 -8.599 1.985 -10.563 1.00 0.93 C ATOM 2055 CD GLU A 130 -8.704 3.494 -10.662 1.00 1.41 C ATOM 2056 OE1 GLU A 130 -7.900 4.190 -10.010 1.00 2.43 O ATOM 2057 OE2 GLU A 130 -9.594 3.980 -11.393 1.00 1.52 O ATOM 0 H GLU A 130 -8.557 -0.045 -6.985 1.00 0.29 H new ATOM 0 HA GLU A 130 -9.802 -0.335 -9.644 1.00 0.31 H new ATOM 0 HB2 GLU A 130 -9.619 1.965 -8.683 1.00 0.36 H new ATOM 0 HB3 GLU A 130 -7.882 1.767 -8.560 1.00 0.36 H new ATOM 0 HG2 GLU A 130 -7.632 1.666 -10.952 1.00 0.93 H new ATOM 0 HG3 GLU A 130 -9.362 1.530 -11.194 1.00 0.93 H new ATOM 2064 N ILE A 131 -6.755 -1.090 -8.768 1.00 0.26 N ATOM 2065 CA ILE A 131 -5.545 -1.764 -9.231 1.00 0.27 C ATOM 2066 C ILE A 131 -5.852 -3.200 -9.614 1.00 0.27 C ATOM 2067 O ILE A 131 -5.227 -3.766 -10.512 1.00 0.30 O ATOM 2068 CB ILE A 131 -4.446 -1.741 -8.150 1.00 0.27 C ATOM 2069 CG1 ILE A 131 -4.627 -2.873 -7.124 1.00 0.29 C ATOM 2070 CG2 ILE A 131 -4.463 -0.394 -7.446 1.00 0.32 C ATOM 2071 CD1 ILE A 131 -3.491 -2.970 -6.131 1.00 0.59 C ATOM 0 H ILE A 131 -6.786 -0.907 -7.765 1.00 0.26 H new ATOM 0 HA ILE A 131 -5.181 -1.227 -10.107 1.00 0.27 H new ATOM 0 HB ILE A 131 -3.485 -1.896 -8.640 1.00 0.27 H new ATOM 0 HG12 ILE A 131 -5.560 -2.717 -6.583 1.00 0.29 H new ATOM 0 HG13 ILE A 131 -4.720 -3.822 -7.653 1.00 0.29 H new ATOM 0 HG21 ILE A 131 -3.687 -0.374 -6.681 1.00 0.32 H new ATOM 0 HG22 ILE A 131 -4.278 0.398 -8.172 1.00 0.32 H new ATOM 0 HG23 ILE A 131 -5.436 -0.239 -6.980 1.00 0.32 H new ATOM 0 HD11 ILE A 131 -3.683 -3.788 -5.437 1.00 0.59 H new ATOM 0 HD12 ILE A 131 -2.558 -3.156 -6.663 1.00 0.59 H new ATOM 0 HD13 ILE A 131 -3.412 -2.035 -5.576 1.00 0.59 H new ATOM 2083 N ALA A 132 -6.849 -3.754 -8.940 1.00 0.24 N ATOM 2084 CA ALA A 132 -7.312 -5.118 -9.186 1.00 0.25 C ATOM 2085 C ALA A 132 -8.231 -5.593 -8.064 1.00 0.23 C ATOM 2086 O ALA A 132 -7.782 -6.190 -7.090 1.00 0.28 O ATOM 2087 CB ALA A 132 -6.142 -6.083 -9.346 1.00 0.30 C ATOM 0 H ALA A 132 -7.364 -3.271 -8.204 1.00 0.24 H new ATOM 0 HA ALA A 132 -7.875 -5.106 -10.119 1.00 0.25 H new ATOM 0 HB1 ALA A 132 -6.522 -7.088 -9.528 1.00 0.30 H new ATOM 0 HB2 ALA A 132 -5.525 -5.770 -10.189 1.00 0.30 H new ATOM 0 HB3 ALA A 132 -5.542 -6.081 -8.436 1.00 0.30 H new ATOM 2093 N PRO A 133 -9.538 -5.325 -8.178 1.00 0.25 N ATOM 2094 CA PRO A 133 -10.518 -5.710 -7.171 1.00 0.31 C ATOM 2095 C PRO A 133 -11.178 -7.046 -7.481 1.00 0.35 C ATOM 2096 O PRO A 133 -12.213 -7.391 -6.909 1.00 0.45 O ATOM 2097 CB PRO A 133 -11.504 -4.571 -7.286 1.00 0.37 C ATOM 2098 CG PRO A 133 -11.583 -4.344 -8.760 1.00 0.37 C ATOM 2099 CD PRO A 133 -10.189 -4.600 -9.289 1.00 0.29 C ATOM 0 HA PRO A 133 -10.095 -5.854 -6.177 1.00 0.31 H new ATOM 0 HB2 PRO A 133 -12.475 -4.833 -6.865 1.00 0.37 H new ATOM 0 HB3 PRO A 133 -11.158 -3.682 -6.759 1.00 0.37 H new ATOM 0 HG2 PRO A 133 -12.306 -5.016 -9.221 1.00 0.37 H new ATOM 0 HG3 PRO A 133 -11.906 -3.327 -8.983 1.00 0.37 H new ATOM 0 HD2 PRO A 133 -10.207 -5.194 -10.203 1.00 0.29 H new ATOM 0 HD3 PRO A 133 -9.670 -3.671 -9.523 1.00 0.29 H new ATOM 2107 N GLU A 134 -10.558 -7.802 -8.378 1.00 0.32 N ATOM 2108 CA GLU A 134 -11.063 -9.114 -8.755 1.00 0.37 C ATOM 2109 C GLU A 134 -10.354 -10.151 -7.913 1.00 0.37 C ATOM 2110 O GLU A 134 -10.274 -11.329 -8.257 1.00 0.52 O ATOM 2111 CB GLU A 134 -10.828 -9.379 -10.243 1.00 0.44 C ATOM 2112 CG GLU A 134 -9.364 -9.315 -10.647 1.00 0.46 C ATOM 2113 CD GLU A 134 -9.160 -9.545 -12.132 1.00 0.54 C ATOM 2114 OE1 GLU A 134 -9.536 -10.630 -12.622 1.00 1.14 O ATOM 2115 OE2 GLU A 134 -8.626 -8.638 -12.807 1.00 0.87 O ATOM 0 H GLU A 134 -9.702 -7.527 -8.859 1.00 0.32 H new ATOM 0 HA GLU A 134 -12.138 -9.161 -8.581 1.00 0.37 H new ATOM 0 HB2 GLU A 134 -11.224 -10.363 -10.496 1.00 0.44 H new ATOM 0 HB3 GLU A 134 -11.390 -8.650 -10.827 1.00 0.44 H new ATOM 0 HG2 GLU A 134 -8.958 -8.341 -10.374 1.00 0.46 H new ATOM 0 HG3 GLU A 134 -8.803 -10.063 -10.086 1.00 0.46 H new ATOM 2122 N LEU A 135 -9.818 -9.659 -6.809 1.00 0.30 N ATOM 2123 CA LEU A 135 -9.068 -10.461 -5.870 1.00 0.35 C ATOM 2124 C LEU A 135 -9.987 -11.069 -4.823 1.00 0.34 C ATOM 2125 O LEU A 135 -10.949 -10.438 -4.389 1.00 0.39 O ATOM 2126 CB LEU A 135 -8.032 -9.559 -5.205 1.00 0.41 C ATOM 2127 CG LEU A 135 -6.829 -10.256 -4.582 1.00 0.69 C ATOM 2128 CD1 LEU A 135 -7.203 -10.912 -3.262 1.00 1.27 C ATOM 2129 CD2 LEU A 135 -6.241 -11.282 -5.537 1.00 1.41 C ATOM 0 H LEU A 135 -9.895 -8.678 -6.540 1.00 0.30 H new ATOM 0 HA LEU A 135 -8.578 -11.283 -6.393 1.00 0.35 H new ATOM 0 HB2 LEU A 135 -7.669 -8.849 -5.949 1.00 0.41 H new ATOM 0 HB3 LEU A 135 -8.531 -8.979 -4.429 1.00 0.41 H new ATOM 0 HG LEU A 135 -6.071 -9.498 -4.384 1.00 0.69 H new ATOM 0 HD11 LEU A 135 -6.327 -11.402 -2.838 1.00 1.27 H new ATOM 0 HD12 LEU A 135 -7.565 -10.153 -2.568 1.00 1.27 H new ATOM 0 HD13 LEU A 135 -7.986 -11.651 -3.432 1.00 1.27 H new ATOM 0 HD21 LEU A 135 -5.384 -11.766 -5.069 1.00 1.41 H new ATOM 0 HD22 LEU A 135 -6.995 -12.032 -5.775 1.00 1.41 H new ATOM 0 HD23 LEU A 135 -5.922 -10.785 -6.453 1.00 1.41 H new ATOM 2141 N VAL A 136 -9.682 -12.292 -4.415 1.00 0.36 N ATOM 2142 CA VAL A 136 -10.476 -12.980 -3.411 1.00 0.38 C ATOM 2143 C VAL A 136 -9.592 -13.756 -2.443 1.00 0.42 C ATOM 2144 O VAL A 136 -8.736 -14.541 -2.854 1.00 0.53 O ATOM 2145 CB VAL A 136 -11.517 -13.919 -4.055 1.00 0.41 C ATOM 2146 CG1 VAL A 136 -10.915 -14.654 -5.243 1.00 0.46 C ATOM 2147 CG2 VAL A 136 -12.064 -14.913 -3.040 1.00 0.44 C ATOM 0 H VAL A 136 -8.888 -12.828 -4.765 1.00 0.36 H new ATOM 0 HA VAL A 136 -11.012 -12.215 -2.850 1.00 0.38 H new ATOM 0 HB VAL A 136 -12.345 -13.305 -4.408 1.00 0.41 H new ATOM 0 HG11 VAL A 136 -11.665 -15.311 -5.683 1.00 0.46 H new ATOM 0 HG12 VAL A 136 -10.584 -13.931 -5.988 1.00 0.46 H new ATOM 0 HG13 VAL A 136 -10.064 -15.248 -4.910 1.00 0.46 H new ATOM 0 HG21 VAL A 136 -12.795 -15.561 -3.523 1.00 0.44 H new ATOM 0 HG22 VAL A 136 -11.247 -15.518 -2.646 1.00 0.44 H new ATOM 0 HG23 VAL A 136 -12.542 -14.373 -2.223 1.00 0.44 H new ATOM 2157 N PHE A 137 -9.811 -13.525 -1.153 1.00 0.46 N ATOM 2158 CA PHE A 137 -9.048 -14.189 -0.108 1.00 0.53 C ATOM 2159 C PHE A 137 -9.301 -15.691 -0.125 1.00 0.57 C ATOM 2160 O PHE A 137 -10.331 -16.145 -0.623 1.00 0.60 O ATOM 2161 CB PHE A 137 -9.432 -13.610 1.257 1.00 0.59 C ATOM 2162 CG PHE A 137 -8.914 -12.219 1.504 1.00 0.58 C ATOM 2163 CD1 PHE A 137 -9.132 -11.214 0.573 1.00 0.55 C ATOM 2164 CD2 PHE A 137 -8.207 -11.913 2.657 1.00 0.66 C ATOM 2165 CE1 PHE A 137 -8.658 -9.933 0.789 1.00 0.59 C ATOM 2166 CE2 PHE A 137 -7.730 -10.636 2.879 1.00 0.68 C ATOM 2167 CZ PHE A 137 -7.954 -9.651 1.973 1.00 0.64 C ATOM 0 H PHE A 137 -10.518 -12.876 -0.806 1.00 0.46 H new ATOM 0 HA PHE A 137 -7.987 -14.018 -0.290 1.00 0.53 H new ATOM 0 HB2 PHE A 137 -10.519 -13.602 1.343 1.00 0.59 H new ATOM 0 HB3 PHE A 137 -9.055 -14.270 2.038 1.00 0.59 H new ATOM 0 HD1 PHE A 137 -9.679 -11.435 -0.332 1.00 0.55 H new ATOM 0 HD2 PHE A 137 -8.027 -12.684 3.392 1.00 0.66 H new ATOM 0 HE1 PHE A 137 -8.827 -9.158 0.056 1.00 0.59 H new ATOM 0 HE2 PHE A 137 -7.175 -10.420 3.780 1.00 0.68 H new ATOM 0 HZ PHE A 137 -7.592 -8.651 2.161 1.00 0.64 H new ATOM 2177 N PRO A 138 -8.372 -16.490 0.434 1.00 0.60 N ATOM 2178 CA PRO A 138 -8.521 -17.945 0.491 1.00 0.66 C ATOM 2179 C PRO A 138 -9.860 -18.327 1.105 1.00 0.73 C ATOM 2180 O PRO A 138 -10.386 -19.415 0.868 1.00 0.78 O ATOM 2181 CB PRO A 138 -7.367 -18.405 1.394 1.00 0.70 C ATOM 2182 CG PRO A 138 -6.824 -17.164 2.023 1.00 0.75 C ATOM 2183 CD PRO A 138 -7.124 -16.046 1.070 1.00 0.62 C ATOM 0 HA PRO A 138 -8.493 -18.405 -0.497 1.00 0.66 H new ATOM 0 HB2 PRO A 138 -7.718 -19.106 2.151 1.00 0.70 H new ATOM 0 HB3 PRO A 138 -6.599 -18.919 0.816 1.00 0.70 H new ATOM 0 HG2 PRO A 138 -7.288 -16.984 2.993 1.00 0.75 H new ATOM 0 HG3 PRO A 138 -5.751 -17.252 2.195 1.00 0.75 H new ATOM 0 HD2 PRO A 138 -7.249 -15.095 1.588 1.00 0.62 H new ATOM 0 HD3 PRO A 138 -6.325 -15.909 0.342 1.00 0.62 H new ATOM 2191 N ASP A 139 -10.399 -17.406 1.895 1.00 0.77 N ATOM 2192 CA ASP A 139 -11.677 -17.601 2.562 1.00 0.87 C ATOM 2193 C ASP A 139 -12.821 -17.610 1.552 1.00 0.80 C ATOM 2194 O ASP A 139 -13.510 -18.617 1.387 1.00 1.03 O ATOM 2195 CB ASP A 139 -11.904 -16.483 3.581 1.00 0.92 C ATOM 2196 CG ASP A 139 -13.008 -16.809 4.567 1.00 1.33 C ATOM 2197 OD1 ASP A 139 -12.881 -17.823 5.287 1.00 1.72 O ATOM 2198 OD2 ASP A 139 -13.999 -16.051 4.622 1.00 1.91 O ATOM 0 H ASP A 139 -9.962 -16.505 2.090 1.00 0.77 H new ATOM 0 HA ASP A 139 -11.655 -18.564 3.071 1.00 0.87 H new ATOM 0 HB2 ASP A 139 -10.978 -16.299 4.126 1.00 0.92 H new ATOM 0 HB3 ASP A 139 -12.152 -15.561 3.055 1.00 0.92 H new ATOM 2203 N GLY A 140 -13.015 -16.477 0.879 1.00 0.59 N ATOM 2204 CA GLY A 140 -14.075 -16.373 -0.107 1.00 0.59 C ATOM 2205 C GLY A 140 -14.484 -14.936 -0.392 1.00 0.61 C ATOM 2206 O GLY A 140 -15.311 -14.687 -1.269 1.00 0.95 O ATOM 0 H GLY A 140 -12.457 -15.632 1.000 1.00 0.59 H new ATOM 0 HA2 GLY A 140 -13.748 -16.842 -1.035 1.00 0.59 H new ATOM 0 HA3 GLY A 140 -14.944 -16.930 0.243 1.00 0.59 H new ATOM 2210 N GLU A 141 -13.910 -13.988 0.346 1.00 0.51 N ATOM 2211 CA GLU A 141 -14.233 -12.576 0.157 1.00 0.62 C ATOM 2212 C GLU A 141 -13.371 -11.954 -0.932 1.00 0.53 C ATOM 2213 O GLU A 141 -12.424 -12.565 -1.409 1.00 0.59 O ATOM 2214 CB GLU A 141 -14.054 -11.787 1.452 1.00 0.86 C ATOM 2215 CG GLU A 141 -12.662 -11.882 2.052 1.00 1.38 C ATOM 2216 CD GLU A 141 -12.467 -13.139 2.877 1.00 2.15 C ATOM 2217 OE1 GLU A 141 -13.417 -13.941 2.977 1.00 2.53 O ATOM 2218 OE2 GLU A 141 -11.356 -13.327 3.416 1.00 2.76 O ATOM 0 H GLU A 141 -13.222 -14.171 1.077 1.00 0.51 H new ATOM 0 HA GLU A 141 -15.279 -12.528 -0.146 1.00 0.62 H new ATOM 0 HB2 GLU A 141 -14.284 -10.739 1.260 1.00 0.86 H new ATOM 0 HB3 GLU A 141 -14.778 -12.144 2.184 1.00 0.86 H new ATOM 0 HG2 GLU A 141 -11.923 -11.859 1.251 1.00 1.38 H new ATOM 0 HG3 GLU A 141 -12.480 -11.009 2.679 1.00 1.38 H new ATOM 2225 N MET A 142 -13.717 -10.730 -1.313 1.00 0.48 N ATOM 2226 CA MET A 142 -12.987 -10.005 -2.351 1.00 0.41 C ATOM 2227 C MET A 142 -12.619 -8.604 -1.883 1.00 0.37 C ATOM 2228 O MET A 142 -13.038 -8.169 -0.814 1.00 0.39 O ATOM 2229 CB MET A 142 -13.829 -9.915 -3.623 1.00 0.42 C ATOM 2230 CG MET A 142 -14.167 -11.268 -4.226 1.00 0.49 C ATOM 2231 SD MET A 142 -15.133 -11.130 -5.742 1.00 0.55 S ATOM 2232 CE MET A 142 -15.310 -12.854 -6.189 1.00 1.68 C ATOM 0 H MET A 142 -14.503 -10.215 -0.917 1.00 0.48 H new ATOM 0 HA MET A 142 -12.069 -10.554 -2.561 1.00 0.41 H new ATOM 0 HB2 MET A 142 -14.755 -9.385 -3.399 1.00 0.42 H new ATOM 0 HB3 MET A 142 -13.292 -9.321 -4.363 1.00 0.42 H new ATOM 0 HG2 MET A 142 -13.244 -11.809 -4.436 1.00 0.49 H new ATOM 0 HG3 MET A 142 -14.724 -11.858 -3.497 1.00 0.49 H new ATOM 0 HE1 MET A 142 -15.887 -12.934 -7.110 1.00 1.68 H new ATOM 0 HE2 MET A 142 -14.324 -13.294 -6.339 1.00 1.68 H new ATOM 0 HE3 MET A 142 -15.827 -13.386 -5.390 1.00 1.68 H new ATOM 2242 N LEU A 143 -11.840 -7.894 -2.699 1.00 0.38 N ATOM 2243 CA LEU A 143 -11.434 -6.550 -2.374 1.00 0.39 C ATOM 2244 C LEU A 143 -12.640 -5.627 -2.404 1.00 0.41 C ATOM 2245 O LEU A 143 -12.670 -4.596 -1.733 1.00 0.50 O ATOM 2246 CB LEU A 143 -10.374 -6.114 -3.382 1.00 0.44 C ATOM 2247 CG LEU A 143 -9.968 -4.647 -3.347 1.00 0.51 C ATOM 2248 CD1 LEU A 143 -9.390 -4.280 -1.992 1.00 1.38 C ATOM 2249 CD2 LEU A 143 -8.965 -4.378 -4.450 1.00 1.56 C ATOM 0 H LEU A 143 -11.483 -8.239 -3.590 1.00 0.38 H new ATOM 0 HA LEU A 143 -11.011 -6.506 -1.370 1.00 0.39 H new ATOM 0 HB2 LEU A 143 -9.482 -6.719 -3.222 1.00 0.44 H new ATOM 0 HB3 LEU A 143 -10.740 -6.343 -4.383 1.00 0.44 H new ATOM 0 HG LEU A 143 -10.851 -4.028 -3.508 1.00 0.51 H new ATOM 0 HD11 LEU A 143 -9.107 -3.227 -1.990 1.00 1.38 H new ATOM 0 HD12 LEU A 143 -10.137 -4.456 -1.218 1.00 1.38 H new ATOM 0 HD13 LEU A 143 -8.511 -4.893 -1.794 1.00 1.38 H new ATOM 0 HD21 LEU A 143 -8.672 -3.328 -4.428 1.00 1.56 H new ATOM 0 HD22 LEU A 143 -8.085 -5.003 -4.302 1.00 1.56 H new ATOM 0 HD23 LEU A 143 -9.415 -4.609 -5.415 1.00 1.56 H new ATOM 2261 N ARG A 144 -13.644 -6.028 -3.172 1.00 0.39 N ATOM 2262 CA ARG A 144 -14.877 -5.266 -3.287 1.00 0.47 C ATOM 2263 C ARG A 144 -15.805 -5.619 -2.130 1.00 0.49 C ATOM 2264 O ARG A 144 -16.436 -4.745 -1.534 1.00 0.56 O ATOM 2265 CB ARG A 144 -15.553 -5.558 -4.633 1.00 0.54 C ATOM 2266 CG ARG A 144 -16.790 -4.712 -4.912 1.00 0.77 C ATOM 2267 CD ARG A 144 -18.002 -5.183 -4.120 1.00 0.88 C ATOM 2268 NE ARG A 144 -18.379 -6.554 -4.453 1.00 1.47 N ATOM 2269 CZ ARG A 144 -18.798 -6.936 -5.657 1.00 2.12 C ATOM 2270 NH1 ARG A 144 -18.925 -6.046 -6.634 1.00 2.68 N ATOM 2271 NH2 ARG A 144 -19.100 -8.207 -5.883 1.00 2.83 N ATOM 0 H ARG A 144 -13.626 -6.883 -3.728 1.00 0.39 H new ATOM 0 HA ARG A 144 -14.650 -4.201 -3.243 1.00 0.47 H new ATOM 0 HB2 ARG A 144 -14.829 -5.397 -5.432 1.00 0.54 H new ATOM 0 HB3 ARG A 144 -15.833 -6.611 -4.665 1.00 0.54 H new ATOM 0 HG2 ARG A 144 -16.579 -3.671 -4.665 1.00 0.77 H new ATOM 0 HG3 ARG A 144 -17.019 -4.747 -5.977 1.00 0.77 H new ATOM 0 HD2 ARG A 144 -17.786 -5.116 -3.054 1.00 0.88 H new ATOM 0 HD3 ARG A 144 -18.843 -4.519 -4.317 1.00 0.88 H new ATOM 0 HE ARG A 144 -18.318 -7.260 -3.720 1.00 1.47 H new ATOM 0 HH11 ARG A 144 -18.701 -5.066 -6.463 1.00 2.68 H new ATOM 0 HH12 ARG A 144 -19.246 -6.343 -7.555 1.00 2.68 H new ATOM 0 HH21 ARG A 144 -19.011 -8.893 -5.134 1.00 2.83 H new ATOM 0 HH22 ARG A 144 -19.421 -8.499 -6.806 1.00 2.83 H new ATOM 2285 N GLN A 145 -15.881 -6.911 -1.822 1.00 0.47 N ATOM 2286 CA GLN A 145 -16.731 -7.395 -0.741 1.00 0.52 C ATOM 2287 C GLN A 145 -16.348 -6.749 0.589 1.00 0.48 C ATOM 2288 O GLN A 145 -17.215 -6.300 1.336 1.00 0.56 O ATOM 2289 CB GLN A 145 -16.643 -8.925 -0.648 1.00 0.57 C ATOM 2290 CG GLN A 145 -17.410 -9.530 0.522 1.00 0.64 C ATOM 2291 CD GLN A 145 -16.601 -9.571 1.811 1.00 0.60 C ATOM 2292 OE1 GLN A 145 -15.378 -9.056 1.766 1.00 0.67 O flip ATOM 2293 NE2 GLN A 145 -17.075 -10.061 2.836 1.00 0.52 N flip ATOM 0 H GLN A 145 -15.362 -7.642 -2.308 1.00 0.47 H new ATOM 0 HA GLN A 145 -17.761 -7.116 -0.961 1.00 0.52 H new ATOM 0 HB2 GLN A 145 -17.020 -9.355 -1.576 1.00 0.57 H new ATOM 0 HB3 GLN A 145 -15.595 -9.212 -0.567 1.00 0.57 H new ATOM 0 HG2 GLN A 145 -18.319 -8.953 0.689 1.00 0.64 H new ATOM 0 HG3 GLN A 145 -17.718 -10.543 0.262 1.00 0.64 H new ATOM 0 HE21 GLN A 145 -18.019 -10.446 2.828 1.00 0.52 H new ATOM 0 HE22 GLN A 145 -16.523 -10.082 3.694 1.00 0.52 H new ATOM 2302 N ILE A 146 -15.048 -6.704 0.883 1.00 0.40 N ATOM 2303 CA ILE A 146 -14.580 -6.108 2.128 1.00 0.40 C ATOM 2304 C ILE A 146 -14.779 -4.602 2.086 1.00 0.43 C ATOM 2305 O ILE A 146 -14.883 -3.945 3.120 1.00 0.53 O ATOM 2306 CB ILE A 146 -13.091 -6.406 2.407 1.00 0.42 C ATOM 2307 CG1 ILE A 146 -12.782 -7.890 2.197 1.00 0.43 C ATOM 2308 CG2 ILE A 146 -12.741 -5.996 3.830 1.00 0.50 C ATOM 2309 CD1 ILE A 146 -11.316 -8.234 2.354 1.00 0.78 C ATOM 0 H ILE A 146 -14.310 -7.070 0.281 1.00 0.40 H new ATOM 0 HA ILE A 146 -15.167 -6.554 2.931 1.00 0.40 H new ATOM 0 HB ILE A 146 -12.486 -5.830 1.706 1.00 0.42 H new ATOM 0 HG12 ILE A 146 -13.362 -8.477 2.909 1.00 0.43 H new ATOM 0 HG13 ILE A 146 -13.110 -8.183 1.200 1.00 0.43 H new ATOM 0 HG21 ILE A 146 -11.689 -6.208 4.022 1.00 0.50 H new ATOM 0 HG22 ILE A 146 -12.925 -4.929 3.957 1.00 0.50 H new ATOM 0 HG23 ILE A 146 -13.358 -6.556 4.532 1.00 0.50 H new ATOM 0 HD11 ILE A 146 -11.173 -9.302 2.191 1.00 0.78 H new ATOM 0 HD12 ILE A 146 -10.731 -7.674 1.624 1.00 0.78 H new ATOM 0 HD13 ILE A 146 -10.987 -7.973 3.360 1.00 0.78 H new ATOM 2321 N LEU A 147 -14.840 -4.066 0.872 1.00 0.42 N ATOM 2322 CA LEU A 147 -15.037 -2.639 0.680 1.00 0.50 C ATOM 2323 C LEU A 147 -16.494 -2.265 0.895 1.00 0.59 C ATOM 2324 O LEU A 147 -16.800 -1.149 1.304 1.00 0.72 O ATOM 2325 CB LEU A 147 -14.560 -2.215 -0.702 1.00 0.55 C ATOM 2326 CG LEU A 147 -13.085 -1.829 -0.764 1.00 0.61 C ATOM 2327 CD1 LEU A 147 -12.663 -1.543 -2.194 1.00 0.76 C ATOM 2328 CD2 LEU A 147 -12.825 -0.620 0.124 1.00 0.62 C ATOM 0 H LEU A 147 -14.756 -4.601 0.008 1.00 0.42 H new ATOM 0 HA LEU A 147 -14.442 -2.105 1.421 1.00 0.50 H new ATOM 0 HB2 LEU A 147 -14.740 -3.031 -1.402 1.00 0.55 H new ATOM 0 HB3 LEU A 147 -15.160 -1.369 -1.037 1.00 0.55 H new ATOM 0 HG LEU A 147 -12.491 -2.666 -0.399 1.00 0.61 H new ATOM 0 HD11 LEU A 147 -11.608 -1.270 -2.214 1.00 0.76 H new ATOM 0 HD12 LEU A 147 -12.819 -2.432 -2.804 1.00 0.76 H new ATOM 0 HD13 LEU A 147 -13.258 -0.721 -2.592 1.00 0.76 H new ATOM 0 HD21 LEU A 147 -11.770 -0.352 0.074 1.00 0.62 H new ATOM 0 HD22 LEU A 147 -13.430 0.220 -0.218 1.00 0.62 H new ATOM 0 HD23 LEU A 147 -13.089 -0.861 1.154 1.00 0.62 H new ATOM 2340 N HIS A 148 -17.388 -3.217 0.655 1.00 0.59 N ATOM 2341 CA HIS A 148 -18.804 -2.980 0.875 1.00 0.73 C ATOM 2342 C HIS A 148 -19.002 -2.652 2.350 1.00 0.79 C ATOM 2343 O HIS A 148 -19.995 -2.041 2.751 1.00 0.90 O ATOM 2344 CB HIS A 148 -19.620 -4.217 0.482 1.00 0.77 C ATOM 2345 CG HIS A 148 -21.106 -4.000 0.476 1.00 0.93 C ATOM 2346 ND1 HIS A 148 -22.012 -5.016 0.244 1.00 1.36 N ATOM 2347 CD2 HIS A 148 -21.846 -2.879 0.664 1.00 1.58 C ATOM 2348 CE1 HIS A 148 -23.239 -4.529 0.289 1.00 1.28 C ATOM 2349 NE2 HIS A 148 -23.165 -3.236 0.542 1.00 1.34 N ATOM 0 H HIS A 148 -17.158 -4.150 0.312 1.00 0.59 H new ATOM 0 HA HIS A 148 -19.148 -2.149 0.259 1.00 0.73 H new ATOM 0 HB2 HIS A 148 -19.308 -4.544 -0.510 1.00 0.77 H new ATOM 0 HB3 HIS A 148 -19.386 -5.027 1.173 1.00 0.77 H new ATOM 0 HD2 HIS A 148 -21.467 -1.889 0.871 1.00 1.58 H new ATOM 0 HE1 HIS A 148 -24.148 -5.093 0.143 1.00 1.28 H new ATOM 0 HE2 HIS A 148 -23.960 -2.604 0.632 1.00 1.34 H new ATOM 2358 N THR A 149 -18.014 -3.059 3.144 1.00 0.77 N ATOM 2359 CA THR A 149 -18.011 -2.822 4.579 1.00 0.88 C ATOM 2360 C THR A 149 -17.398 -1.457 4.901 1.00 0.86 C ATOM 2361 O THR A 149 -17.812 -0.793 5.854 1.00 0.94 O ATOM 2362 CB THR A 149 -17.238 -3.944 5.283 1.00 0.90 C ATOM 2363 OG1 THR A 149 -17.962 -5.162 5.217 1.00 1.10 O ATOM 2364 CG2 THR A 149 -16.947 -3.662 6.742 1.00 1.18 C ATOM 0 H THR A 149 -17.194 -3.563 2.807 1.00 0.77 H new ATOM 0 HA THR A 149 -19.039 -2.819 4.940 1.00 0.88 H new ATOM 0 HB THR A 149 -16.288 -4.012 4.754 1.00 0.90 H new ATOM 0 HG1 THR A 149 -17.455 -5.869 5.669 1.00 1.10 H new ATOM 0 HG21 THR A 149 -16.398 -4.500 7.172 1.00 1.18 H new ATOM 0 HG22 THR A 149 -16.348 -2.755 6.825 1.00 1.18 H new ATOM 0 HG23 THR A 149 -17.885 -3.528 7.281 1.00 1.18 H new ATOM 2372 N ARG A 150 -16.419 -1.033 4.097 1.00 0.86 N ATOM 2373 CA ARG A 150 -15.768 0.263 4.297 1.00 0.93 C ATOM 2374 C ARG A 150 -16.501 1.345 3.516 1.00 0.95 C ATOM 2375 O ARG A 150 -17.171 2.191 4.108 1.00 1.05 O ATOM 2376 CB ARG A 150 -14.312 0.199 3.840 1.00 0.99 C ATOM 2377 CG ARG A 150 -13.472 -0.807 4.603 1.00 0.96 C ATOM 2378 CD ARG A 150 -13.326 -0.428 6.069 1.00 1.26 C ATOM 2379 NE ARG A 150 -14.574 -0.585 6.814 1.00 2.01 N ATOM 2380 CZ ARG A 150 -14.703 -0.303 8.108 1.00 2.55 C ATOM 2381 NH1 ARG A 150 -13.665 0.153 8.797 1.00 2.55 N ATOM 2382 NH2 ARG A 150 -15.870 -0.475 8.713 1.00 3.55 N ATOM 0 H ARG A 150 -16.061 -1.567 3.305 1.00 0.86 H new ATOM 0 HA ARG A 150 -15.798 0.505 5.359 1.00 0.93 H new ATOM 0 HB2 ARG A 150 -14.285 -0.050 2.779 1.00 0.99 H new ATOM 0 HB3 ARG A 150 -13.864 1.187 3.947 1.00 0.99 H new ATOM 0 HG2 ARG A 150 -13.929 -1.794 4.527 1.00 0.96 H new ATOM 0 HG3 ARG A 150 -12.485 -0.877 4.146 1.00 0.96 H new ATOM 0 HD2 ARG A 150 -12.553 -1.047 6.526 1.00 1.26 H new ATOM 0 HD3 ARG A 150 -12.991 0.607 6.142 1.00 1.26 H new ATOM 0 HE ARG A 150 -15.393 -0.930 6.313 1.00 2.01 H new ATOM 0 HH11 ARG A 150 -12.766 0.288 8.335 1.00 2.55 H new ATOM 0 HH12 ARG A 150 -13.766 0.369 9.789 1.00 2.55 H new ATOM 0 HH21 ARG A 150 -16.671 -0.824 8.187 1.00 3.55 H new ATOM 0 HH22 ARG A 150 -15.967 -0.258 9.705 1.00 3.55 H new ATOM 2396 N ALA A 151 -16.391 1.252 2.183 1.00 0.94 N ATOM 2397 CA ALA A 151 -17.055 2.152 1.228 1.00 1.04 C ATOM 2398 C ALA A 151 -16.138 2.642 0.134 1.00 1.11 C ATOM 2399 O ALA A 151 -16.516 3.498 -0.666 1.00 1.59 O ATOM 2400 CB ALA A 151 -17.798 3.306 1.884 1.00 1.61 C ATOM 0 H ALA A 151 -15.826 0.534 1.729 1.00 0.94 H new ATOM 0 HA ALA A 151 -17.812 1.526 0.756 1.00 1.04 H new ATOM 0 HB1 ALA A 151 -18.261 3.925 1.115 1.00 1.61 H new ATOM 0 HB2 ALA A 151 -18.569 2.913 2.546 1.00 1.61 H new ATOM 0 HB3 ALA A 151 -17.097 3.909 2.461 1.00 1.61 H new ATOM 2406 N PHE A 152 -14.966 2.039 0.054 1.00 1.09 N ATOM 2407 CA PHE A 152 -14.022 2.338 -0.986 1.00 1.61 C ATOM 2408 C PHE A 152 -13.978 3.793 -1.359 1.00 1.38 C ATOM 2409 O PHE A 152 -13.499 4.620 -0.588 1.00 1.90 O ATOM 2410 CB PHE A 152 -14.251 1.416 -2.195 1.00 2.51 C ATOM 2411 CG PHE A 152 -15.693 1.121 -2.536 1.00 3.40 C ATOM 2412 CD1 PHE A 152 -16.498 0.374 -1.685 1.00 3.42 C ATOM 2413 CD2 PHE A 152 -16.250 1.626 -3.700 1.00 4.44 C ATOM 2414 CE1 PHE A 152 -17.821 0.128 -1.998 1.00 4.40 C ATOM 2415 CE2 PHE A 152 -17.571 1.385 -4.018 1.00 5.41 C ATOM 2416 CZ PHE A 152 -18.340 0.528 -3.155 1.00 5.37 C ATOM 0 H PHE A 152 -14.649 1.328 0.714 1.00 1.09 H new ATOM 0 HA PHE A 152 -13.028 2.133 -0.589 1.00 1.61 H new ATOM 0 HB2 PHE A 152 -13.777 1.867 -3.067 1.00 2.51 H new ATOM 0 HB3 PHE A 152 -13.741 0.471 -2.008 1.00 2.51 H new ATOM 0 HD1 PHE A 152 -16.085 -0.019 -0.768 1.00 3.42 H new ATOM 0 HD2 PHE A 152 -15.641 2.217 -4.368 1.00 4.44 H new ATOM 0 HE1 PHE A 152 -18.445 -0.398 -1.291 1.00 4.40 H new ATOM 0 HE2 PHE A 152 -18.018 1.830 -4.895 1.00 5.41 H new ATOM 0 HZ PHE A 152 -19.331 0.212 -3.445 1.00 5.37 H new ATOM 2426 N ASP A 153 -14.438 4.047 -2.550 1.00 1.04 N ATOM 2427 CA ASP A 153 -14.476 5.384 -3.165 1.00 1.18 C ATOM 2428 C ASP A 153 -14.266 6.492 -2.140 1.00 1.01 C ATOM 2429 O ASP A 153 -13.532 7.449 -2.390 1.00 1.40 O ATOM 2430 CB ASP A 153 -15.809 5.593 -3.885 1.00 1.46 C ATOM 2431 CG ASP A 153 -15.892 6.946 -4.567 1.00 2.05 C ATOM 2432 OD1 ASP A 153 -15.049 7.220 -5.448 1.00 2.52 O ATOM 2433 OD2 ASP A 153 -16.800 7.731 -4.221 1.00 2.54 O ATOM 0 H ASP A 153 -14.814 3.319 -3.157 1.00 1.04 H new ATOM 0 HA ASP A 153 -13.657 5.435 -3.882 1.00 1.18 H new ATOM 0 HB2 ASP A 153 -15.945 4.806 -4.627 1.00 1.46 H new ATOM 0 HB3 ASP A 153 -16.625 5.500 -3.168 1.00 1.46 H new ATOM 2438 N LYS A 154 -14.916 6.327 -0.993 1.00 0.68 N ATOM 2439 CA LYS A 154 -14.840 7.259 0.126 1.00 0.59 C ATOM 2440 C LYS A 154 -13.794 8.339 -0.023 1.00 0.52 C ATOM 2441 O LYS A 154 -14.025 9.380 -0.639 1.00 0.67 O ATOM 2442 CB LYS A 154 -14.549 6.520 1.428 1.00 0.63 C ATOM 2443 CG LYS A 154 -15.665 5.619 1.907 1.00 0.79 C ATOM 2444 CD LYS A 154 -15.402 5.114 3.322 1.00 0.93 C ATOM 2445 CE LYS A 154 -14.090 4.346 3.416 1.00 0.94 C ATOM 2446 NZ LYS A 154 -14.061 3.179 2.493 1.00 1.77 N ATOM 0 H LYS A 154 -15.522 5.527 -0.812 1.00 0.68 H new ATOM 0 HA LYS A 154 -15.818 7.740 0.140 1.00 0.59 H new ATOM 0 HB2 LYS A 154 -13.648 5.921 1.296 1.00 0.63 H new ATOM 0 HB3 LYS A 154 -14.333 7.253 2.205 1.00 0.63 H new ATOM 0 HG2 LYS A 154 -16.610 6.162 1.882 1.00 0.79 H new ATOM 0 HG3 LYS A 154 -15.767 4.771 1.229 1.00 0.79 H new ATOM 0 HD2 LYS A 154 -15.378 5.959 4.010 1.00 0.93 H new ATOM 0 HD3 LYS A 154 -16.223 4.470 3.636 1.00 0.93 H new ATOM 0 HE2 LYS A 154 -13.261 5.014 3.182 1.00 0.94 H new ATOM 0 HE3 LYS A 154 -13.943 4.002 4.440 1.00 0.94 H new ATOM 0 HZ1 LYS A 154 -13.337 2.504 2.810 1.00 1.77 H new ATOM 0 HZ2 LYS A 154 -14.991 2.714 2.492 1.00 1.77 H new ATOM 0 HZ3 LYS A 154 -13.835 3.503 1.531 1.00 1.77 H new ATOM 2460 N LEU A 155 -12.665 8.071 0.607 1.00 0.55 N ATOM 2461 CA LEU A 155 -11.536 8.984 0.648 1.00 0.57 C ATOM 2462 C LEU A 155 -11.418 9.745 -0.665 1.00 0.51 C ATOM 2463 O LEU A 155 -10.866 9.245 -1.645 1.00 0.61 O ATOM 2464 CB LEU A 155 -10.234 8.231 0.948 1.00 0.67 C ATOM 2465 CG LEU A 155 -10.207 7.277 2.164 1.00 0.81 C ATOM 2466 CD1 LEU A 155 -8.909 7.451 2.936 1.00 1.81 C ATOM 2467 CD2 LEU A 155 -11.389 7.473 3.110 1.00 1.95 C ATOM 0 H LEU A 155 -12.504 7.200 1.112 1.00 0.55 H new ATOM 0 HA LEU A 155 -11.708 9.700 1.451 1.00 0.57 H new ATOM 0 HB2 LEU A 155 -9.973 7.650 0.063 1.00 0.67 H new ATOM 0 HB3 LEU A 155 -9.446 8.971 1.087 1.00 0.67 H new ATOM 0 HG LEU A 155 -10.280 6.266 1.763 1.00 0.81 H new ATOM 0 HD11 LEU A 155 -8.900 6.774 3.790 1.00 1.81 H new ATOM 0 HD12 LEU A 155 -8.065 7.224 2.285 1.00 1.81 H new ATOM 0 HD13 LEU A 155 -8.830 8.480 3.287 1.00 1.81 H new ATOM 0 HD21 LEU A 155 -11.309 6.773 3.942 1.00 1.95 H new ATOM 0 HD22 LEU A 155 -11.383 8.493 3.493 1.00 1.95 H new ATOM 0 HD23 LEU A 155 -12.320 7.293 2.572 1.00 1.95 H new ATOM 2479 N ASN A 156 -11.969 10.949 -0.672 1.00 0.54 N ATOM 2480 CA ASN A 156 -11.969 11.797 -1.860 1.00 0.54 C ATOM 2481 C ASN A 156 -10.552 12.049 -2.377 1.00 0.53 C ATOM 2482 O ASN A 156 -9.571 11.661 -1.744 1.00 0.75 O ATOM 2483 CB ASN A 156 -12.670 13.120 -1.549 1.00 0.63 C ATOM 2484 CG ASN A 156 -11.979 13.928 -0.458 1.00 1.07 C ATOM 2485 OD1 ASN A 156 -10.935 13.365 0.145 1.00 2.09 O flip ATOM 2486 ND2 ASN A 156 -12.389 15.049 -0.154 1.00 1.34 N flip ATOM 0 H ASN A 156 -12.427 11.366 0.139 1.00 0.54 H new ATOM 0 HA ASN A 156 -12.512 11.276 -2.648 1.00 0.54 H new ATOM 0 HB2 ASN A 156 -12.720 13.719 -2.458 1.00 0.63 H new ATOM 0 HB3 ASN A 156 -13.697 12.916 -1.245 1.00 0.63 H new ATOM 0 HD21 ASN A 156 -13.193 15.447 -0.640 1.00 1.34 H new ATOM 0 HD22 ASN A 156 -11.925 15.579 0.583 1.00 1.34 H new ATOM 2493 N LYS A 157 -10.460 12.683 -3.546 1.00 0.46 N ATOM 2494 CA LYS A 157 -9.170 12.969 -4.170 1.00 0.46 C ATOM 2495 C LYS A 157 -8.502 14.211 -3.586 1.00 0.48 C ATOM 2496 O LYS A 157 -9.168 15.098 -3.050 1.00 0.64 O ATOM 2497 CB LYS A 157 -9.341 13.142 -5.680 1.00 0.54 C ATOM 2498 CG LYS A 157 -9.669 11.849 -6.413 1.00 0.60 C ATOM 2499 CD LYS A 157 -9.951 12.096 -7.888 1.00 1.33 C ATOM 2500 CE LYS A 157 -8.744 12.685 -8.602 1.00 1.77 C ATOM 2501 NZ LYS A 157 -9.026 12.954 -10.039 1.00 2.30 N ATOM 0 H LYS A 157 -11.266 13.008 -4.080 1.00 0.46 H new ATOM 0 HA LYS A 157 -8.521 12.118 -3.963 1.00 0.46 H new ATOM 0 HB2 LYS A 157 -10.135 13.866 -5.866 1.00 0.54 H new ATOM 0 HB3 LYS A 157 -8.424 13.561 -6.094 1.00 0.54 H new ATOM 0 HG2 LYS A 157 -8.837 11.152 -6.313 1.00 0.60 H new ATOM 0 HG3 LYS A 157 -10.536 11.378 -5.950 1.00 0.60 H new ATOM 0 HD2 LYS A 157 -10.234 11.158 -8.366 1.00 1.33 H new ATOM 0 HD3 LYS A 157 -10.799 12.774 -7.988 1.00 1.33 H new ATOM 0 HE2 LYS A 157 -8.448 13.612 -8.110 1.00 1.77 H new ATOM 0 HE3 LYS A 157 -7.902 11.997 -8.520 1.00 1.77 H new ATOM 0 HZ1 LYS A 157 -8.179 13.355 -10.490 1.00 2.30 H new ATOM 0 HZ2 LYS A 157 -9.284 12.066 -10.514 1.00 2.30 H new ATOM 0 HZ3 LYS A 157 -9.813 13.630 -10.118 1.00 2.30 H new ATOM 2515 N TRP A 158 -7.173 14.256 -3.709 1.00 0.45 N ATOM 2516 CA TRP A 158 -6.368 15.374 -3.221 1.00 0.54 C ATOM 2517 C TRP A 158 -7.006 16.713 -3.584 1.00 0.75 C ATOM 2518 O TRP A 158 -7.037 17.045 -4.788 1.00 1.21 O ATOM 2519 CB TRP A 158 -4.959 15.290 -3.819 1.00 0.62 C ATOM 2520 CG TRP A 158 -4.062 16.416 -3.402 1.00 0.71 C ATOM 2521 CD1 TRP A 158 -3.487 17.346 -4.218 1.00 0.98 C ATOM 2522 CD2 TRP A 158 -3.626 16.721 -2.075 1.00 0.72 C ATOM 2523 NE1 TRP A 158 -2.729 18.220 -3.476 1.00 1.04 N ATOM 2524 CE2 TRP A 158 -2.797 17.858 -2.157 1.00 0.89 C ATOM 2525 CE3 TRP A 158 -3.860 16.149 -0.822 1.00 0.81 C ATOM 2526 CZ2 TRP A 158 -2.204 18.429 -1.035 1.00 1.01 C ATOM 2527 CZ3 TRP A 158 -3.269 16.717 0.290 1.00 1.03 C ATOM 2528 CH2 TRP A 158 -2.450 17.848 0.177 1.00 1.07 C ATOM 2529 OXT TRP A 158 -7.467 17.417 -2.661 1.00 1.47 O ATOM 0 H TRP A 158 -6.626 13.517 -4.150 1.00 0.45 H new ATOM 0 HA TRP A 158 -6.312 15.309 -2.134 1.00 0.54 H new ATOM 0 HB2 TRP A 158 -4.504 14.345 -3.523 1.00 0.62 H new ATOM 0 HB3 TRP A 158 -5.035 15.281 -4.906 1.00 0.62 H new ATOM 0 HD1 TRP A 158 -3.610 17.389 -5.290 1.00 0.98 H new ATOM 0 HE1 TRP A 158 -2.201 19.010 -3.847 1.00 1.04 H new ATOM 0 HE3 TRP A 158 -4.492 15.278 -0.724 1.00 0.81 H new ATOM 0 HZ2 TRP A 158 -1.572 19.301 -1.119 1.00 1.01 H new ATOM 0 HZ3 TRP A 158 -3.441 16.282 1.263 1.00 1.03 H new ATOM 0 HH2 TRP A 158 -2.004 18.269 1.066 1.00 1.07 H new TER 2540 TRP A 158