USER MOD reduce.3.24.130724 H: found=0, std=0, add=1272, rem=0, adj=29 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 10 ASN : amide:sc= -8.6! C(o=-42!,f=-45!) USER MOD Set 1.2: A 48 GLN : amide:sc= -15.1! C(o=-42!,f=-44!) USER MOD Set 1.3: A 50 GLN : amide:sc= -18.2! C(o=-42!,f=-55!) USER MOD Single : A 1 THR N :NH3+ 154:sc= 0.313 (180deg=0.0844) USER MOD Single : A 1 THR OG1 : rot 180:sc= 0.0164 USER MOD Single : A 4 TYR OH : rot -143:sc= -0.135! USER MOD Single : A 9 SER OG : rot 20:sc= -3.54! USER MOD Single : A 13 SER OG : rot -154:sc= 0.985 USER MOD Single : A 17 GLN : amide:sc= -7.19! C(o=-7.2!,f=-13!) USER MOD Single : A 19 ASN : amide:sc= -3.07! K(o=-3.1!,f=-0.67) USER MOD Single : A 23 LYS NZ :NH3+ -172:sc= -0.655 (180deg=-0.888) USER MOD Single : A 31 SER OG : rot -39:sc= -1.26! USER MOD Single : A 32 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 35 THR OG1 : rot 124:sc= 0.203 USER MOD Single : A 37 SER OG : rot -83:sc= -1.32! USER MOD Single : A 38 SER OG : rot 180:sc= 0.105 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= -1.51! USER MOD Single : A 53 TYR OH : rot 39:sc= 1.55 USER MOD Single : A 55 ASN : amide:sc= -7.42! C(o=-7.4!,f=-6.6!) USER MOD Single : A 62 THR OG1 : rot 95:sc= 0.893 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -5.85! K(o=-5.8!,f=-0.9) USER MOD Single : A 72 HIS : no HE2:sc= -4.87! C(o=-4.9!,f=-6.6!) USER MOD Single : A 73 THR OG1 : rot -11:sc= 0.103 USER MOD Single : A 74 GLN : amide:sc= -0.168 X(o=-0.17,f=-0.17) USER MOD Single : A 79 GLN : amide:sc= -4.69! K(o=-4.7!,f=-0.6) USER MOD Single : A 80 GLN : amide:sc= -6.05! C(o=-6.1!,f=-5!) USER MOD Single : A 85 LYS NZ :NH3+ -165:sc= -0.0256 (180deg=-0.256) USER MOD Single : A 93 THR OG1 : rot 100:sc= -0.136 USER MOD Single : A 99 MET CE :methyl -171:sc= -3.88! (180deg=-4.35!) USER MOD Single : A 103 ASN : amide:sc= -4.58! K(o=-4.6!,f=-0.37) USER MOD Single : A 107 ASN : amide:sc= 0.0883 K(o=0.088,f=-1.5) USER MOD Single : A 108 THR OG1 : rot -70:sc= -3.95! USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 HIS : no HD1:sc= -0.191 K(o=-0.19,f=-0.9) USER MOD Single : A 116 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 MET CE :methyl -162:sc= -9.68! (180deg=-10!) USER MOD Single : A 119 LYS NZ :NH3+ 167:sc= -0.034 (180deg=-0.217) USER MOD Single : A 120 ASN : amide:sc= -0.378 X(o=-0.38,f=-0.069) USER MOD Single : A 124 MET CE :methyl 164:sc= -0.435 (180deg=-0.989) USER MOD Single : A 142 MET CE :methyl 159:sc= -0.154 (180deg=-0.758) USER MOD Single : A 145 GLN : amide:sc= -11.1! C(o=-11!,f=-5.4!) USER MOD Single : A 148 HIS : no HD1:sc= -0.355 X(o=-0.36,f=-0.0024) USER MOD Single : A 149 THR OG1 : rot 180:sc= 0 USER MOD Single : A 154 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 156 ASN : amide:sc= 0.00714 K(o=0.0071,f=-3.2!) USER MOD Single : A 157 LYS NZ :NH3+ -125:sc= 0.397 (180deg=-0.24) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 1.245 -13.464 -9.055 1.00 0.73 N ATOM 2 CA THR A 1 0.656 -12.862 -7.831 1.00 0.53 C ATOM 3 C THR A 1 0.879 -11.353 -7.802 1.00 0.47 C ATOM 4 O THR A 1 2.006 -10.882 -7.651 1.00 0.70 O ATOM 5 CB THR A 1 1.298 -13.517 -6.608 1.00 0.54 C ATOM 6 OG1 THR A 1 1.091 -14.919 -6.626 1.00 0.58 O ATOM 7 CG2 THR A 1 0.757 -12.991 -5.297 1.00 0.81 C ATOM 0 H1 THR A 1 1.482 -14.460 -8.872 1.00 0.73 H new ATOM 0 H2 THR A 1 0.558 -13.409 -9.834 1.00 0.73 H new ATOM 0 H3 THR A 1 2.108 -12.945 -9.316 1.00 0.73 H new ATOM 0 HA THR A 1 -0.420 -13.036 -7.826 1.00 0.53 H new ATOM 0 HB THR A 1 2.358 -13.272 -6.670 1.00 0.54 H new ATOM 0 HG1 THR A 1 1.510 -15.322 -5.837 1.00 0.58 H new ATOM 0 HG21 THR A 1 1.254 -13.497 -4.469 1.00 0.81 H new ATOM 0 HG22 THR A 1 0.942 -11.919 -5.231 1.00 0.81 H new ATOM 0 HG23 THR A 1 -0.316 -13.178 -5.245 1.00 0.81 H new ATOM 17 N VAL A 2 -0.206 -10.600 -7.954 1.00 0.44 N ATOM 18 CA VAL A 2 -0.139 -9.143 -7.952 1.00 0.42 C ATOM 19 C VAL A 2 0.176 -8.593 -6.565 1.00 0.38 C ATOM 20 O VAL A 2 -0.266 -9.139 -5.554 1.00 0.43 O ATOM 21 CB VAL A 2 -1.459 -8.519 -8.434 1.00 0.51 C ATOM 22 CG1 VAL A 2 -1.369 -7.005 -8.420 1.00 1.29 C ATOM 23 CG2 VAL A 2 -1.820 -9.014 -9.821 1.00 0.85 C ATOM 0 H VAL A 2 -1.145 -10.977 -8.081 1.00 0.44 H new ATOM 0 HA VAL A 2 0.665 -8.875 -8.637 1.00 0.42 H new ATOM 0 HB VAL A 2 -2.247 -8.827 -7.747 1.00 0.51 H new ATOM 0 HG11 VAL A 2 -2.312 -6.581 -8.764 1.00 1.29 H new ATOM 0 HG12 VAL A 2 -1.166 -6.662 -7.406 1.00 1.29 H new ATOM 0 HG13 VAL A 2 -0.564 -6.682 -9.080 1.00 1.29 H new ATOM 0 HG21 VAL A 2 -2.758 -8.557 -10.138 1.00 0.85 H new ATOM 0 HG22 VAL A 2 -1.030 -8.743 -10.521 1.00 0.85 H new ATOM 0 HG23 VAL A 2 -1.933 -10.098 -9.803 1.00 0.85 H new ATOM 33 N ALA A 3 0.933 -7.499 -6.530 1.00 0.38 N ATOM 34 CA ALA A 3 1.299 -6.861 -5.275 1.00 0.40 C ATOM 35 C ALA A 3 0.455 -5.614 -5.029 1.00 0.40 C ATOM 36 O ALA A 3 0.735 -4.541 -5.564 1.00 0.65 O ATOM 37 CB ALA A 3 2.779 -6.509 -5.272 1.00 0.43 C ATOM 0 H ALA A 3 1.304 -7.037 -7.360 1.00 0.38 H new ATOM 0 HA ALA A 3 1.105 -7.566 -4.467 1.00 0.40 H new ATOM 0 HB1 ALA A 3 3.038 -6.032 -4.327 1.00 0.43 H new ATOM 0 HB2 ALA A 3 3.369 -7.417 -5.394 1.00 0.43 H new ATOM 0 HB3 ALA A 3 2.992 -5.825 -6.093 1.00 0.43 H new ATOM 43 N TYR A 4 -0.572 -5.767 -4.203 1.00 0.25 N ATOM 44 CA TYR A 4 -1.469 -4.669 -3.854 1.00 0.24 C ATOM 45 C TYR A 4 -0.786 -3.769 -2.821 1.00 0.27 C ATOM 46 O TYR A 4 -1.037 -3.881 -1.622 1.00 0.35 O ATOM 47 CB TYR A 4 -2.771 -5.237 -3.293 1.00 0.25 C ATOM 48 CG TYR A 4 -3.574 -6.061 -4.288 1.00 0.27 C ATOM 49 CD1 TYR A 4 -2.954 -6.861 -5.242 1.00 0.55 C ATOM 50 CD2 TYR A 4 -4.961 -6.044 -4.259 1.00 0.62 C ATOM 51 CE1 TYR A 4 -3.694 -7.615 -6.132 1.00 0.61 C ATOM 52 CE2 TYR A 4 -5.702 -6.794 -5.146 1.00 0.66 C ATOM 53 CZ TYR A 4 -5.064 -7.578 -6.081 1.00 0.45 C ATOM 54 OH TYR A 4 -5.803 -8.329 -6.966 1.00 0.55 O ATOM 0 H TYR A 4 -0.808 -6.653 -3.756 1.00 0.25 H new ATOM 0 HA TYR A 4 -1.699 -4.077 -4.740 1.00 0.24 H new ATOM 0 HB2 TYR A 4 -2.540 -5.858 -2.428 1.00 0.25 H new ATOM 0 HB3 TYR A 4 -3.390 -4.413 -2.938 1.00 0.25 H new ATOM 0 HD1 TYR A 4 -1.875 -6.893 -5.288 1.00 0.55 H new ATOM 0 HD2 TYR A 4 -5.469 -5.432 -3.528 1.00 0.62 H new ATOM 0 HE1 TYR A 4 -3.195 -8.231 -6.865 1.00 0.61 H new ATOM 0 HE2 TYR A 4 -6.781 -6.767 -5.108 1.00 0.66 H new ATOM 0 HH TYR A 4 -6.603 -7.829 -7.231 1.00 0.55 H new ATOM 64 N ILE A 5 0.116 -2.911 -3.297 1.00 0.28 N ATOM 65 CA ILE A 5 0.886 -2.026 -2.422 1.00 0.34 C ATOM 66 C ILE A 5 0.199 -0.681 -2.194 1.00 0.34 C ATOM 67 O ILE A 5 -0.659 -0.264 -2.973 1.00 0.39 O ATOM 68 CB ILE A 5 2.287 -1.767 -3.012 1.00 0.41 C ATOM 69 CG1 ILE A 5 2.879 -3.068 -3.555 1.00 0.44 C ATOM 70 CG2 ILE A 5 3.206 -1.161 -1.960 1.00 0.53 C ATOM 71 CD1 ILE A 5 4.233 -2.901 -4.209 1.00 0.95 C ATOM 0 H ILE A 5 0.332 -2.810 -4.289 1.00 0.28 H new ATOM 0 HA ILE A 5 0.964 -2.538 -1.463 1.00 0.34 H new ATOM 0 HB ILE A 5 2.193 -1.057 -3.834 1.00 0.41 H new ATOM 0 HG12 ILE A 5 2.967 -3.784 -2.738 1.00 0.44 H new ATOM 0 HG13 ILE A 5 2.187 -3.496 -4.280 1.00 0.44 H new ATOM 0 HG21 ILE A 5 4.190 -0.985 -2.394 1.00 0.53 H new ATOM 0 HG22 ILE A 5 2.788 -0.216 -1.613 1.00 0.53 H new ATOM 0 HG23 ILE A 5 3.298 -1.848 -1.118 1.00 0.53 H new ATOM 0 HD11 ILE A 5 4.585 -3.868 -4.568 1.00 0.95 H new ATOM 0 HD12 ILE A 5 4.149 -2.211 -5.048 1.00 0.95 H new ATOM 0 HD13 ILE A 5 4.942 -2.504 -3.482 1.00 0.95 H new ATOM 83 N ALA A 6 0.600 -0.002 -1.115 1.00 0.40 N ATOM 84 CA ALA A 6 0.050 1.306 -0.768 1.00 0.44 C ATOM 85 C ALA A 6 1.158 2.259 -0.325 1.00 0.42 C ATOM 86 O ALA A 6 1.940 1.937 0.569 1.00 0.58 O ATOM 87 CB ALA A 6 -0.986 1.167 0.335 1.00 0.53 C ATOM 0 H ALA A 6 1.308 -0.342 -0.465 1.00 0.40 H new ATOM 0 HA ALA A 6 -0.429 1.720 -1.655 1.00 0.44 H new ATOM 0 HB1 ALA A 6 -1.387 2.150 0.583 1.00 0.53 H new ATOM 0 HB2 ALA A 6 -1.795 0.520 -0.005 1.00 0.53 H new ATOM 0 HB3 ALA A 6 -0.520 0.731 1.219 1.00 0.53 H new ATOM 93 N ILE A 7 1.223 3.431 -0.951 1.00 0.41 N ATOM 94 CA ILE A 7 2.245 4.421 -0.616 1.00 0.40 C ATOM 95 C ILE A 7 1.617 5.666 0.010 1.00 0.44 C ATOM 96 O ILE A 7 0.491 6.034 -0.319 1.00 0.52 O ATOM 97 CB ILE A 7 3.067 4.840 -1.860 1.00 0.50 C ATOM 98 CG1 ILE A 7 3.801 3.639 -2.468 1.00 0.65 C ATOM 99 CG2 ILE A 7 4.062 5.934 -1.500 1.00 0.53 C ATOM 100 CD1 ILE A 7 2.895 2.647 -3.167 1.00 0.99 C ATOM 0 H ILE A 7 0.583 3.719 -1.691 1.00 0.41 H new ATOM 0 HA ILE A 7 2.914 3.950 0.104 1.00 0.40 H new ATOM 0 HB ILE A 7 2.371 5.228 -2.604 1.00 0.50 H new ATOM 0 HG12 ILE A 7 4.541 4.003 -3.181 1.00 0.65 H new ATOM 0 HG13 ILE A 7 4.346 3.122 -1.678 1.00 0.65 H new ATOM 0 HG21 ILE A 7 4.630 6.215 -2.387 1.00 0.53 H new ATOM 0 HG22 ILE A 7 3.525 6.804 -1.122 1.00 0.53 H new ATOM 0 HG23 ILE A 7 4.744 5.567 -0.733 1.00 0.53 H new ATOM 0 HD11 ILE A 7 3.493 1.829 -3.569 1.00 0.99 H new ATOM 0 HD12 ILE A 7 2.170 2.252 -2.455 1.00 0.99 H new ATOM 0 HD13 ILE A 7 2.369 3.146 -3.981 1.00 0.99 H new ATOM 112 N GLY A 8 2.357 6.312 0.908 1.00 0.50 N ATOM 113 CA GLY A 8 1.861 7.514 1.559 1.00 0.61 C ATOM 114 C GLY A 8 2.989 8.449 1.946 1.00 0.62 C ATOM 115 O GLY A 8 3.938 8.031 2.607 1.00 0.90 O ATOM 0 H GLY A 8 3.292 6.025 1.197 1.00 0.50 H new ATOM 0 HA2 GLY A 8 1.172 8.032 0.891 1.00 0.61 H new ATOM 0 HA3 GLY A 8 1.295 7.239 2.449 1.00 0.61 H new ATOM 119 N SER A 9 2.911 9.707 1.519 1.00 0.56 N ATOM 120 CA SER A 9 3.969 10.669 1.821 1.00 0.63 C ATOM 121 C SER A 9 3.421 12.052 2.155 1.00 0.66 C ATOM 122 O SER A 9 2.388 12.463 1.629 1.00 0.77 O ATOM 123 CB SER A 9 4.921 10.755 0.636 1.00 0.77 C ATOM 124 OG SER A 9 4.215 10.988 -0.569 1.00 1.58 O ATOM 0 H SER A 9 2.137 10.081 0.970 1.00 0.56 H new ATOM 0 HA SER A 9 4.498 10.316 2.706 1.00 0.63 H new ATOM 0 HB2 SER A 9 5.640 11.557 0.801 1.00 0.77 H new ATOM 0 HB3 SER A 9 5.490 9.829 0.555 1.00 0.77 H new ATOM 0 HG SER A 9 3.330 11.354 -0.364 1.00 1.58 H new ATOM 130 N ASN A 10 4.122 12.769 3.038 1.00 0.69 N ATOM 131 CA ASN A 10 3.690 14.103 3.440 1.00 0.79 C ATOM 132 C ASN A 10 4.771 14.886 4.195 1.00 0.83 C ATOM 133 O ASN A 10 4.780 16.116 4.155 1.00 0.98 O ATOM 134 CB ASN A 10 2.441 13.993 4.310 1.00 0.99 C ATOM 135 CG ASN A 10 2.603 12.972 5.420 1.00 1.05 C ATOM 136 OD1 ASN A 10 3.576 13.005 6.172 1.00 2.01 O ATOM 137 ND2 ASN A 10 1.637 12.071 5.541 1.00 1.01 N ATOM 0 H ASN A 10 4.982 12.449 3.482 1.00 0.69 H new ATOM 0 HA ASN A 10 3.478 14.656 2.525 1.00 0.79 H new ATOM 0 HB2 ASN A 10 2.216 14.967 4.745 1.00 0.99 H new ATOM 0 HB3 ASN A 10 1.590 13.718 3.687 1.00 0.99 H new ATOM 0 HD21 ASN A 10 1.684 11.369 6.280 1.00 1.01 H new ATOM 0 HD22 ASN A 10 0.848 12.080 4.895 1.00 1.01 H new ATOM 144 N LEU A 11 5.666 14.190 4.898 1.00 0.83 N ATOM 145 CA LEU A 11 6.713 14.872 5.664 1.00 0.95 C ATOM 146 C LEU A 11 8.001 15.016 4.861 1.00 0.93 C ATOM 147 O LEU A 11 9.080 14.641 5.326 1.00 1.38 O ATOM 148 CB LEU A 11 7.002 14.146 6.982 1.00 1.12 C ATOM 149 CG LEU A 11 5.824 14.054 7.957 1.00 0.90 C ATOM 150 CD1 LEU A 11 6.280 13.487 9.292 1.00 1.77 C ATOM 151 CD2 LEU A 11 5.173 15.416 8.150 1.00 1.54 C ATOM 0 H LEU A 11 5.689 13.172 4.954 1.00 0.83 H new ATOM 0 HA LEU A 11 6.336 15.870 5.887 1.00 0.95 H new ATOM 0 HB2 LEU A 11 7.341 13.136 6.753 1.00 1.12 H new ATOM 0 HB3 LEU A 11 7.827 14.653 7.483 1.00 1.12 H new ATOM 0 HG LEU A 11 5.081 13.380 7.530 1.00 0.90 H new ATOM 0 HD11 LEU A 11 5.430 13.429 9.972 1.00 1.77 H new ATOM 0 HD12 LEU A 11 6.693 12.490 9.142 1.00 1.77 H new ATOM 0 HD13 LEU A 11 7.044 14.135 9.721 1.00 1.77 H new ATOM 0 HD21 LEU A 11 4.339 15.325 8.846 1.00 1.54 H new ATOM 0 HD22 LEU A 11 5.906 16.116 8.551 1.00 1.54 H new ATOM 0 HD23 LEU A 11 4.807 15.783 7.191 1.00 1.54 H new ATOM 163 N ALA A 12 7.880 15.577 3.664 1.00 0.84 N ATOM 164 CA ALA A 12 9.025 15.795 2.787 1.00 0.91 C ATOM 165 C ALA A 12 8.572 16.363 1.450 1.00 0.95 C ATOM 166 O ALA A 12 8.862 17.513 1.115 1.00 1.72 O ATOM 167 CB ALA A 12 9.794 14.500 2.570 1.00 0.97 C ATOM 0 H ALA A 12 6.991 15.892 3.275 1.00 0.84 H new ATOM 0 HA ALA A 12 9.687 16.514 3.269 1.00 0.91 H new ATOM 0 HB1 ALA A 12 10.643 14.687 1.913 1.00 0.97 H new ATOM 0 HB2 ALA A 12 10.152 14.125 3.529 1.00 0.97 H new ATOM 0 HB3 ALA A 12 9.138 13.759 2.113 1.00 0.97 H new ATOM 173 N SER A 13 7.848 15.542 0.700 1.00 0.81 N ATOM 174 CA SER A 13 7.327 15.929 -0.605 1.00 0.79 C ATOM 175 C SER A 13 6.457 14.809 -1.165 1.00 0.71 C ATOM 176 O SER A 13 6.962 13.882 -1.798 1.00 0.71 O ATOM 177 CB SER A 13 8.473 16.236 -1.571 1.00 0.89 C ATOM 178 OG SER A 13 7.974 16.650 -2.831 1.00 1.47 O ATOM 0 H SER A 13 7.606 14.591 0.978 1.00 0.81 H new ATOM 0 HA SER A 13 6.723 16.829 -0.489 1.00 0.79 H new ATOM 0 HB2 SER A 13 9.108 17.017 -1.152 1.00 0.89 H new ATOM 0 HB3 SER A 13 9.097 15.351 -1.695 1.00 0.89 H new ATOM 0 HG SER A 13 8.634 16.448 -3.527 1.00 1.47 H new ATOM 184 N PRO A 14 5.134 14.870 -0.930 1.00 0.69 N ATOM 185 CA PRO A 14 4.198 13.843 -1.405 1.00 0.66 C ATOM 186 C PRO A 14 4.250 13.638 -2.911 1.00 0.67 C ATOM 187 O PRO A 14 3.695 12.669 -3.431 1.00 0.66 O ATOM 188 CB PRO A 14 2.824 14.375 -0.989 1.00 0.68 C ATOM 189 CG PRO A 14 3.033 15.820 -0.676 1.00 0.80 C ATOM 190 CD PRO A 14 4.444 15.929 -0.180 1.00 0.78 C ATOM 0 HA PRO A 14 4.440 12.868 -0.982 1.00 0.66 H new ATOM 0 HB2 PRO A 14 2.095 14.248 -1.790 1.00 0.68 H new ATOM 0 HB3 PRO A 14 2.441 13.837 -0.122 1.00 0.68 H new ATOM 0 HG2 PRO A 14 2.880 16.438 -1.561 1.00 0.80 H new ATOM 0 HG3 PRO A 14 2.325 16.163 0.079 1.00 0.80 H new ATOM 0 HD2 PRO A 14 4.870 16.912 -0.383 1.00 0.78 H new ATOM 0 HD3 PRO A 14 4.508 15.770 0.896 1.00 0.78 H new ATOM 198 N LEU A 15 4.906 14.550 -3.614 1.00 0.73 N ATOM 199 CA LEU A 15 5.011 14.451 -5.062 1.00 0.78 C ATOM 200 C LEU A 15 6.183 13.563 -5.470 1.00 0.73 C ATOM 201 O LEU A 15 6.007 12.587 -6.197 1.00 0.79 O ATOM 202 CB LEU A 15 5.167 15.844 -5.679 1.00 0.92 C ATOM 203 CG LEU A 15 5.087 15.886 -7.205 1.00 0.98 C ATOM 204 CD1 LEU A 15 3.725 15.401 -7.679 1.00 1.00 C ATOM 205 CD2 LEU A 15 5.360 17.294 -7.712 1.00 1.15 C ATOM 0 H LEU A 15 5.371 15.362 -3.208 1.00 0.73 H new ATOM 0 HA LEU A 15 4.094 13.996 -5.436 1.00 0.78 H new ATOM 0 HB2 LEU A 15 4.393 16.494 -5.271 1.00 0.92 H new ATOM 0 HB3 LEU A 15 6.127 16.257 -5.369 1.00 0.92 H new ATOM 0 HG LEU A 15 5.849 15.221 -7.611 1.00 0.98 H new ATOM 0 HD11 LEU A 15 3.685 15.437 -8.768 1.00 1.00 H new ATOM 0 HD12 LEU A 15 3.567 14.376 -7.344 1.00 1.00 H new ATOM 0 HD13 LEU A 15 2.946 16.042 -7.266 1.00 1.00 H new ATOM 0 HD21 LEU A 15 5.299 17.307 -8.800 1.00 1.15 H new ATOM 0 HD22 LEU A 15 4.620 17.979 -7.299 1.00 1.15 H new ATOM 0 HD23 LEU A 15 6.357 17.606 -7.400 1.00 1.15 H new ATOM 217 N GLU A 16 7.378 13.917 -5.007 1.00 0.71 N ATOM 218 CA GLU A 16 8.586 13.167 -5.331 1.00 0.71 C ATOM 219 C GLU A 16 8.667 11.834 -4.593 1.00 0.63 C ATOM 220 O GLU A 16 9.242 10.873 -5.105 1.00 0.65 O ATOM 221 CB GLU A 16 9.820 14.007 -5.003 1.00 0.81 C ATOM 222 CG GLU A 16 10.142 15.056 -6.052 1.00 0.95 C ATOM 223 CD GLU A 16 9.001 16.024 -6.295 1.00 1.57 C ATOM 224 OE1 GLU A 16 8.624 16.748 -5.350 1.00 2.35 O ATOM 225 OE2 GLU A 16 8.486 16.060 -7.432 1.00 2.01 O ATOM 0 H GLU A 16 7.535 14.724 -4.403 1.00 0.71 H new ATOM 0 HA GLU A 16 8.549 12.946 -6.398 1.00 0.71 H new ATOM 0 HB2 GLU A 16 9.668 14.501 -4.043 1.00 0.81 H new ATOM 0 HB3 GLU A 16 10.679 13.345 -4.888 1.00 0.81 H new ATOM 0 HG2 GLU A 16 11.024 15.615 -5.740 1.00 0.95 H new ATOM 0 HG3 GLU A 16 10.395 14.559 -6.989 1.00 0.95 H new ATOM 232 N GLN A 17 8.113 11.778 -3.388 1.00 0.59 N ATOM 233 CA GLN A 17 8.159 10.560 -2.592 1.00 0.56 C ATOM 234 C GLN A 17 7.312 9.442 -3.197 1.00 0.55 C ATOM 235 O GLN A 17 7.567 8.263 -2.953 1.00 0.61 O ATOM 236 CB GLN A 17 7.704 10.852 -1.166 1.00 0.62 C ATOM 237 CG GLN A 17 8.615 11.820 -0.431 1.00 0.71 C ATOM 238 CD GLN A 17 8.128 12.124 0.969 1.00 1.20 C ATOM 239 OE1 GLN A 17 7.092 12.761 1.156 1.00 1.99 O ATOM 240 NE2 GLN A 17 8.873 11.660 1.964 1.00 1.63 N ATOM 0 H GLN A 17 7.629 12.558 -2.943 1.00 0.59 H new ATOM 0 HA GLN A 17 9.193 10.214 -2.583 1.00 0.56 H new ATOM 0 HB2 GLN A 17 6.694 11.262 -1.191 1.00 0.62 H new ATOM 0 HB3 GLN A 17 7.655 9.916 -0.609 1.00 0.62 H new ATOM 0 HG2 GLN A 17 9.620 11.401 -0.380 1.00 0.71 H new ATOM 0 HG3 GLN A 17 8.686 12.749 -0.997 1.00 0.71 H new ATOM 0 HE21 GLN A 17 9.725 11.136 1.762 1.00 1.63 H new ATOM 0 HE22 GLN A 17 8.594 11.827 2.931 1.00 1.63 H new ATOM 249 N VAL A 18 6.304 9.810 -3.980 1.00 0.56 N ATOM 250 CA VAL A 18 5.429 8.820 -4.604 1.00 0.62 C ATOM 251 C VAL A 18 5.938 8.397 -5.979 1.00 0.60 C ATOM 252 O VAL A 18 5.840 7.226 -6.341 1.00 0.64 O ATOM 253 CB VAL A 18 3.986 9.342 -4.725 1.00 0.76 C ATOM 254 CG1 VAL A 18 3.103 8.329 -5.439 1.00 0.82 C ATOM 255 CG2 VAL A 18 3.429 9.663 -3.345 1.00 0.83 C ATOM 0 H VAL A 18 6.072 10.779 -4.198 1.00 0.56 H new ATOM 0 HA VAL A 18 5.435 7.947 -3.951 1.00 0.62 H new ATOM 0 HB VAL A 18 3.996 10.256 -5.319 1.00 0.76 H new ATOM 0 HG11 VAL A 18 2.088 8.719 -5.513 1.00 0.82 H new ATOM 0 HG12 VAL A 18 3.495 8.146 -6.439 1.00 0.82 H new ATOM 0 HG13 VAL A 18 3.093 7.395 -4.877 1.00 0.82 H new ATOM 0 HG21 VAL A 18 2.408 10.032 -3.442 1.00 0.83 H new ATOM 0 HG22 VAL A 18 3.433 8.762 -2.732 1.00 0.83 H new ATOM 0 HG23 VAL A 18 4.047 10.426 -2.872 1.00 0.83 H new ATOM 265 N ASN A 19 6.480 9.344 -6.738 1.00 0.60 N ATOM 266 CA ASN A 19 6.998 9.035 -8.069 1.00 0.64 C ATOM 267 C ASN A 19 7.963 7.854 -8.011 1.00 0.56 C ATOM 268 O ASN A 19 7.776 6.857 -8.704 1.00 0.63 O ATOM 269 CB ASN A 19 7.701 10.250 -8.681 1.00 0.72 C ATOM 270 CG ASN A 19 6.737 11.371 -9.018 1.00 0.82 C ATOM 271 OD1 ASN A 19 5.746 11.163 -9.722 1.00 0.92 O ATOM 272 ND2 ASN A 19 7.030 12.571 -8.537 1.00 0.84 N ATOM 0 H ASN A 19 6.572 10.321 -6.460 1.00 0.60 H new ATOM 0 HA ASN A 19 6.150 8.769 -8.701 1.00 0.64 H new ATOM 0 HB2 ASN A 19 8.453 10.619 -7.984 1.00 0.72 H new ATOM 0 HB3 ASN A 19 8.227 9.944 -9.585 1.00 0.72 H new ATOM 0 HD21 ASN A 19 6.425 13.366 -8.746 1.00 0.84 H new ATOM 0 HD22 ASN A 19 7.860 12.700 -7.958 1.00 0.84 H new ATOM 279 N ALA A 20 8.987 7.972 -7.173 1.00 0.47 N ATOM 280 CA ALA A 20 9.978 6.915 -7.024 1.00 0.42 C ATOM 281 C ALA A 20 9.388 5.698 -6.315 1.00 0.35 C ATOM 282 O ALA A 20 9.924 4.596 -6.411 1.00 0.36 O ATOM 283 CB ALA A 20 11.191 7.431 -6.267 1.00 0.43 C ATOM 0 H ALA A 20 9.152 8.790 -6.586 1.00 0.47 H new ATOM 0 HA ALA A 20 10.290 6.604 -8.021 1.00 0.42 H new ATOM 0 HB1 ALA A 20 11.923 6.630 -6.163 1.00 0.43 H new ATOM 0 HB2 ALA A 20 11.636 8.261 -6.816 1.00 0.43 H new ATOM 0 HB3 ALA A 20 10.885 7.773 -5.278 1.00 0.43 H new ATOM 289 N ALA A 21 8.282 5.902 -5.607 1.00 0.36 N ATOM 290 CA ALA A 21 7.625 4.816 -4.886 1.00 0.39 C ATOM 291 C ALA A 21 6.963 3.836 -5.848 1.00 0.41 C ATOM 292 O ALA A 21 7.151 2.623 -5.741 1.00 0.44 O ATOM 293 CB ALA A 21 6.597 5.377 -3.915 1.00 0.46 C ATOM 0 H ALA A 21 7.822 6.808 -5.517 1.00 0.36 H new ATOM 0 HA ALA A 21 8.386 4.274 -4.325 1.00 0.39 H new ATOM 0 HB1 ALA A 21 6.114 4.557 -3.383 1.00 0.46 H new ATOM 0 HB2 ALA A 21 7.093 6.032 -3.199 1.00 0.46 H new ATOM 0 HB3 ALA A 21 5.847 5.944 -4.467 1.00 0.46 H new ATOM 299 N LEU A 22 6.179 4.366 -6.779 1.00 0.47 N ATOM 300 CA LEU A 22 5.478 3.539 -7.756 1.00 0.53 C ATOM 301 C LEU A 22 6.361 3.203 -8.960 1.00 0.50 C ATOM 302 O LEU A 22 6.080 2.258 -9.696 1.00 0.64 O ATOM 303 CB LEU A 22 4.184 4.233 -8.205 1.00 0.70 C ATOM 304 CG LEU A 22 4.330 5.696 -8.644 1.00 0.81 C ATOM 305 CD1 LEU A 22 5.041 5.795 -9.984 1.00 1.28 C ATOM 306 CD2 LEU A 22 2.966 6.366 -8.713 1.00 1.35 C ATOM 0 H LEU A 22 6.012 5.367 -6.879 1.00 0.47 H new ATOM 0 HA LEU A 22 5.225 2.596 -7.272 1.00 0.53 H new ATOM 0 HB2 LEU A 22 3.758 3.666 -9.032 1.00 0.70 H new ATOM 0 HB3 LEU A 22 3.467 4.189 -7.385 1.00 0.70 H new ATOM 0 HG LEU A 22 4.937 6.215 -7.902 1.00 0.81 H new ATOM 0 HD11 LEU A 22 5.131 6.843 -10.272 1.00 1.28 H new ATOM 0 HD12 LEU A 22 6.035 5.354 -9.902 1.00 1.28 H new ATOM 0 HD13 LEU A 22 4.468 5.259 -10.741 1.00 1.28 H new ATOM 0 HD21 LEU A 22 3.086 7.403 -9.026 1.00 1.35 H new ATOM 0 HD22 LEU A 22 2.338 5.840 -9.432 1.00 1.35 H new ATOM 0 HD23 LEU A 22 2.495 6.335 -7.730 1.00 1.35 H new ATOM 318 N LYS A 23 7.427 3.975 -9.161 1.00 0.45 N ATOM 319 CA LYS A 23 8.333 3.735 -10.285 1.00 0.49 C ATOM 320 C LYS A 23 9.388 2.687 -9.945 1.00 0.43 C ATOM 321 O LYS A 23 9.776 1.887 -10.795 1.00 0.51 O ATOM 322 CB LYS A 23 9.021 5.032 -10.720 1.00 0.56 C ATOM 323 CG LYS A 23 8.126 5.968 -11.518 1.00 0.93 C ATOM 324 CD LYS A 23 7.677 5.332 -12.825 1.00 1.62 C ATOM 325 CE LYS A 23 6.821 6.282 -13.646 1.00 2.52 C ATOM 326 NZ LYS A 23 5.603 6.711 -12.908 1.00 3.23 N ATOM 0 H LYS A 23 7.684 4.764 -8.568 1.00 0.45 H new ATOM 0 HA LYS A 23 7.726 3.358 -11.108 1.00 0.49 H new ATOM 0 HB2 LYS A 23 9.380 5.556 -9.834 1.00 0.56 H new ATOM 0 HB3 LYS A 23 9.897 4.784 -11.320 1.00 0.56 H new ATOM 0 HG2 LYS A 23 7.252 6.233 -10.922 1.00 0.93 H new ATOM 0 HG3 LYS A 23 8.662 6.894 -11.728 1.00 0.93 H new ATOM 0 HD2 LYS A 23 8.551 5.036 -13.405 1.00 1.62 H new ATOM 0 HD3 LYS A 23 7.112 4.424 -12.613 1.00 1.62 H new ATOM 0 HE2 LYS A 23 7.409 7.159 -13.916 1.00 2.52 H new ATOM 0 HE3 LYS A 23 6.529 5.795 -14.576 1.00 2.52 H new ATOM 0 HZ1 LYS A 23 4.981 7.246 -13.547 1.00 3.23 H new ATOM 0 HZ2 LYS A 23 5.098 5.873 -12.555 1.00 3.23 H new ATOM 0 HZ3 LYS A 23 5.877 7.314 -12.106 1.00 3.23 H new ATOM 340 N ALA A 24 9.859 2.703 -8.702 1.00 0.37 N ATOM 341 CA ALA A 24 10.880 1.759 -8.259 1.00 0.41 C ATOM 342 C ALA A 24 10.403 0.314 -8.378 1.00 0.41 C ATOM 343 O ALA A 24 11.215 -0.609 -8.425 1.00 0.43 O ATOM 344 CB ALA A 24 11.289 2.056 -6.826 1.00 0.46 C ATOM 0 H ALA A 24 9.551 3.359 -7.984 1.00 0.37 H new ATOM 0 HA ALA A 24 11.744 1.880 -8.912 1.00 0.41 H new ATOM 0 HB1 ALA A 24 12.051 1.344 -6.510 1.00 0.46 H new ATOM 0 HB2 ALA A 24 11.690 3.068 -6.764 1.00 0.46 H new ATOM 0 HB3 ALA A 24 10.420 1.970 -6.174 1.00 0.46 H new ATOM 350 N LEU A 25 9.087 0.120 -8.422 1.00 0.43 N ATOM 351 CA LEU A 25 8.521 -1.221 -8.530 1.00 0.48 C ATOM 352 C LEU A 25 8.807 -1.820 -9.903 1.00 0.49 C ATOM 353 O LEU A 25 8.839 -3.039 -10.062 1.00 0.57 O ATOM 354 CB LEU A 25 7.011 -1.180 -8.278 1.00 0.53 C ATOM 355 CG LEU A 25 6.587 -0.559 -6.945 1.00 0.70 C ATOM 356 CD1 LEU A 25 5.073 -0.540 -6.820 1.00 0.95 C ATOM 357 CD2 LEU A 25 7.204 -1.313 -5.777 1.00 1.00 C ATOM 0 H LEU A 25 8.397 0.870 -8.385 1.00 0.43 H new ATOM 0 HA LEU A 25 8.990 -1.852 -7.775 1.00 0.48 H new ATOM 0 HB2 LEU A 25 6.539 -0.621 -9.087 1.00 0.53 H new ATOM 0 HB3 LEU A 25 6.624 -2.198 -8.325 1.00 0.53 H new ATOM 0 HG LEU A 25 6.950 0.469 -6.921 1.00 0.70 H new ATOM 0 HD11 LEU A 25 4.792 -0.095 -5.866 1.00 0.95 H new ATOM 0 HD12 LEU A 25 4.648 0.048 -7.634 1.00 0.95 H new ATOM 0 HD13 LEU A 25 4.691 -1.560 -6.871 1.00 0.95 H new ATOM 0 HD21 LEU A 25 6.889 -0.854 -4.840 1.00 1.00 H new ATOM 0 HD22 LEU A 25 6.875 -2.352 -5.800 1.00 1.00 H new ATOM 0 HD23 LEU A 25 8.291 -1.274 -5.852 1.00 1.00 H new ATOM 369 N GLY A 26 9.019 -0.954 -10.887 1.00 0.47 N ATOM 370 CA GLY A 26 9.305 -1.421 -12.231 1.00 0.53 C ATOM 371 C GLY A 26 10.707 -1.988 -12.347 1.00 0.50 C ATOM 372 O GLY A 26 10.984 -2.809 -13.221 1.00 0.64 O ATOM 0 H GLY A 26 8.998 0.060 -10.779 1.00 0.47 H new ATOM 0 HA2 GLY A 26 8.580 -2.185 -12.512 1.00 0.53 H new ATOM 0 HA3 GLY A 26 9.188 -0.597 -12.934 1.00 0.53 H new ATOM 376 N ASP A 27 11.593 -1.540 -11.462 1.00 0.43 N ATOM 377 CA ASP A 27 12.969 -1.983 -11.453 1.00 0.46 C ATOM 378 C ASP A 27 13.189 -3.096 -10.429 1.00 0.41 C ATOM 379 O ASP A 27 14.189 -3.812 -10.489 1.00 0.56 O ATOM 380 CB ASP A 27 13.866 -0.796 -11.135 1.00 0.59 C ATOM 381 CG ASP A 27 14.002 0.161 -12.303 1.00 1.05 C ATOM 382 OD1 ASP A 27 14.485 -0.272 -13.372 1.00 1.50 O ATOM 383 OD2 ASP A 27 13.628 1.342 -12.150 1.00 1.48 O ATOM 0 H ASP A 27 11.370 -0.860 -10.735 1.00 0.43 H new ATOM 0 HA ASP A 27 13.215 -2.386 -12.435 1.00 0.46 H new ATOM 0 HB2 ASP A 27 13.462 -0.260 -10.276 1.00 0.59 H new ATOM 0 HB3 ASP A 27 14.854 -1.158 -10.850 1.00 0.59 H new ATOM 388 N ILE A 28 12.256 -3.232 -9.490 1.00 0.37 N ATOM 389 CA ILE A 28 12.359 -4.258 -8.456 1.00 0.36 C ATOM 390 C ILE A 28 12.487 -5.653 -9.070 1.00 0.42 C ATOM 391 O ILE A 28 11.844 -5.964 -10.073 1.00 0.47 O ATOM 392 CB ILE A 28 11.146 -4.213 -7.495 1.00 0.41 C ATOM 393 CG1 ILE A 28 11.265 -3.004 -6.560 1.00 0.45 C ATOM 394 CG2 ILE A 28 11.026 -5.505 -6.696 1.00 0.47 C ATOM 395 CD1 ILE A 28 10.143 -2.898 -5.550 1.00 1.27 C ATOM 0 H ILE A 28 11.423 -2.647 -9.424 1.00 0.37 H new ATOM 0 HA ILE A 28 13.262 -4.047 -7.883 1.00 0.36 H new ATOM 0 HB ILE A 28 10.239 -4.111 -8.090 1.00 0.41 H new ATOM 0 HG12 ILE A 28 12.215 -3.060 -6.029 1.00 0.45 H new ATOM 0 HG13 ILE A 28 11.288 -2.094 -7.160 1.00 0.45 H new ATOM 0 HG21 ILE A 28 10.165 -5.443 -6.030 1.00 0.47 H new ATOM 0 HG22 ILE A 28 10.897 -6.345 -7.379 1.00 0.47 H new ATOM 0 HG23 ILE A 28 11.931 -5.653 -6.106 1.00 0.47 H new ATOM 0 HD11 ILE A 28 10.298 -2.018 -4.925 1.00 1.27 H new ATOM 0 HD12 ILE A 28 9.190 -2.809 -6.072 1.00 1.27 H new ATOM 0 HD13 ILE A 28 10.132 -3.790 -4.924 1.00 1.27 H new ATOM 407 N PRO A 29 13.331 -6.513 -8.471 1.00 0.49 N ATOM 408 CA PRO A 29 13.551 -7.880 -8.954 1.00 0.65 C ATOM 409 C PRO A 29 12.265 -8.696 -8.976 1.00 0.73 C ATOM 410 O PRO A 29 11.571 -8.807 -7.964 1.00 0.77 O ATOM 411 CB PRO A 29 14.538 -8.475 -7.943 1.00 0.75 C ATOM 412 CG PRO A 29 14.454 -7.589 -6.747 1.00 0.74 C ATOM 413 CD PRO A 29 14.137 -6.221 -7.277 1.00 0.51 C ATOM 0 HA PRO A 29 13.920 -7.889 -9.980 1.00 0.65 H new ATOM 0 HB2 PRO A 29 14.273 -9.502 -7.692 1.00 0.75 H new ATOM 0 HB3 PRO A 29 15.550 -8.497 -8.347 1.00 0.75 H new ATOM 0 HG2 PRO A 29 13.681 -7.931 -6.059 1.00 0.74 H new ATOM 0 HG3 PRO A 29 15.394 -7.587 -6.194 1.00 0.74 H new ATOM 0 HD2 PRO A 29 13.584 -5.624 -6.552 1.00 0.51 H new ATOM 0 HD3 PRO A 29 15.040 -5.664 -7.525 1.00 0.51 H new ATOM 421 N GLU A 30 11.954 -9.266 -10.136 1.00 0.83 N ATOM 422 CA GLU A 30 10.754 -10.076 -10.297 1.00 0.95 C ATOM 423 C GLU A 30 9.505 -9.283 -9.942 1.00 0.84 C ATOM 424 O GLU A 30 8.741 -9.673 -9.063 1.00 1.18 O ATOM 425 CB GLU A 30 10.829 -11.339 -9.436 1.00 1.17 C ATOM 426 CG GLU A 30 11.872 -12.339 -9.904 1.00 1.47 C ATOM 427 CD GLU A 30 13.296 -11.929 -9.569 1.00 2.16 C ATOM 428 OE1 GLU A 30 13.790 -10.946 -10.157 1.00 2.84 O ATOM 429 OE2 GLU A 30 13.918 -12.596 -8.714 1.00 2.65 O ATOM 0 H GLU A 30 12.520 -9.181 -10.981 1.00 0.83 H new ATOM 0 HA GLU A 30 10.694 -10.367 -11.346 1.00 0.95 H new ATOM 0 HB2 GLU A 30 11.049 -11.054 -8.407 1.00 1.17 H new ATOM 0 HB3 GLU A 30 9.852 -11.823 -9.431 1.00 1.17 H new ATOM 0 HG2 GLU A 30 11.665 -13.308 -9.450 1.00 1.47 H new ATOM 0 HG3 GLU A 30 11.783 -12.467 -10.983 1.00 1.47 H new ATOM 436 N SER A 31 9.311 -8.169 -10.633 1.00 0.60 N ATOM 437 CA SER A 31 8.157 -7.309 -10.400 1.00 0.54 C ATOM 438 C SER A 31 7.853 -6.479 -11.641 1.00 0.47 C ATOM 439 O SER A 31 8.769 -6.049 -12.345 1.00 0.59 O ATOM 440 CB SER A 31 8.426 -6.387 -9.218 1.00 0.57 C ATOM 441 OG SER A 31 9.447 -5.456 -9.524 1.00 1.37 O ATOM 0 H SER A 31 9.941 -7.837 -11.364 1.00 0.60 H new ATOM 0 HA SER A 31 7.295 -7.938 -10.178 1.00 0.54 H new ATOM 0 HB2 SER A 31 7.512 -5.856 -8.951 1.00 0.57 H new ATOM 0 HB3 SER A 31 8.716 -6.978 -8.349 1.00 0.57 H new ATOM 0 HG SER A 31 10.145 -5.898 -10.052 1.00 1.37 H new ATOM 447 N HIS A 32 6.570 -6.261 -11.918 1.00 0.38 N ATOM 448 CA HIS A 32 6.180 -5.485 -13.094 1.00 0.42 C ATOM 449 C HIS A 32 4.798 -4.863 -12.931 1.00 0.39 C ATOM 450 O HIS A 32 3.792 -5.525 -13.146 1.00 0.39 O ATOM 451 CB HIS A 32 6.193 -6.389 -14.323 1.00 0.52 C ATOM 452 CG HIS A 32 5.875 -5.677 -15.601 1.00 1.10 C ATOM 453 ND1 HIS A 32 6.639 -4.641 -16.097 1.00 1.90 N ATOM 454 CD2 HIS A 32 4.865 -5.856 -16.483 1.00 1.90 C ATOM 455 CE1 HIS A 32 6.112 -4.213 -17.233 1.00 2.46 C ATOM 456 NE2 HIS A 32 5.036 -4.934 -17.487 1.00 2.42 N ATOM 0 H HIS A 32 5.792 -6.604 -11.354 1.00 0.38 H new ATOM 0 HA HIS A 32 6.897 -4.673 -13.214 1.00 0.42 H new ATOM 0 HB2 HIS A 32 7.176 -6.852 -14.411 1.00 0.52 H new ATOM 0 HB3 HIS A 32 5.473 -7.194 -14.178 1.00 0.52 H new ATOM 0 HD2 HIS A 32 4.073 -6.587 -16.411 1.00 1.90 H new ATOM 0 HE1 HIS A 32 6.496 -3.412 -17.847 1.00 2.46 H new ATOM 0 HE2 HIS A 32 4.429 -4.824 -18.299 1.00 2.42 H new ATOM 465 N ILE A 33 4.748 -3.588 -12.563 1.00 0.42 N ATOM 466 CA ILE A 33 3.472 -2.903 -12.388 1.00 0.42 C ATOM 467 C ILE A 33 2.608 -3.002 -13.639 1.00 0.41 C ATOM 468 O ILE A 33 3.074 -2.778 -14.757 1.00 0.48 O ATOM 469 CB ILE A 33 3.667 -1.426 -11.985 1.00 0.51 C ATOM 470 CG1 ILE A 33 3.910 -1.344 -10.481 1.00 0.61 C ATOM 471 CG2 ILE A 33 2.457 -0.584 -12.385 1.00 0.79 C ATOM 472 CD1 ILE A 33 4.100 0.068 -9.972 1.00 0.70 C ATOM 0 H ILE A 33 5.569 -3.011 -12.381 1.00 0.42 H new ATOM 0 HA ILE A 33 2.953 -3.409 -11.574 1.00 0.42 H new ATOM 0 HB ILE A 33 4.532 -1.025 -12.512 1.00 0.51 H new ATOM 0 HG12 ILE A 33 3.067 -1.798 -9.960 1.00 0.61 H new ATOM 0 HG13 ILE A 33 4.793 -1.933 -10.232 1.00 0.61 H new ATOM 0 HG21 ILE A 33 2.621 0.452 -12.089 1.00 0.79 H new ATOM 0 HG22 ILE A 33 2.319 -0.636 -13.465 1.00 0.79 H new ATOM 0 HG23 ILE A 33 1.566 -0.967 -11.887 1.00 0.79 H new ATOM 0 HD11 ILE A 33 4.268 0.047 -8.895 1.00 0.70 H new ATOM 0 HD12 ILE A 33 4.961 0.520 -10.465 1.00 0.70 H new ATOM 0 HD13 ILE A 33 3.208 0.656 -10.189 1.00 0.70 H new ATOM 484 N LEU A 34 1.339 -3.355 -13.435 1.00 0.39 N ATOM 485 CA LEU A 34 0.392 -3.506 -14.530 1.00 0.40 C ATOM 486 C LEU A 34 -0.555 -2.307 -14.595 1.00 0.37 C ATOM 487 O LEU A 34 -0.653 -1.638 -15.625 1.00 0.50 O ATOM 488 CB LEU A 34 -0.393 -4.810 -14.344 1.00 0.43 C ATOM 489 CG LEU A 34 -1.056 -5.380 -15.605 1.00 0.66 C ATOM 490 CD1 LEU A 34 -1.639 -6.755 -15.321 1.00 1.42 C ATOM 491 CD2 LEU A 34 -2.138 -4.450 -16.127 1.00 1.39 C ATOM 0 H LEU A 34 0.945 -3.542 -12.513 1.00 0.39 H new ATOM 0 HA LEU A 34 0.937 -3.548 -15.473 1.00 0.40 H new ATOM 0 HB2 LEU A 34 0.283 -5.564 -13.940 1.00 0.43 H new ATOM 0 HB3 LEU A 34 -1.167 -4.642 -13.595 1.00 0.43 H new ATOM 0 HG LEU A 34 -0.289 -5.472 -16.374 1.00 0.66 H new ATOM 0 HD11 LEU A 34 -2.106 -7.146 -16.225 1.00 1.42 H new ATOM 0 HD12 LEU A 34 -0.844 -7.429 -15.003 1.00 1.42 H new ATOM 0 HD13 LEU A 34 -2.386 -6.677 -14.531 1.00 1.42 H new ATOM 0 HD21 LEU A 34 -2.589 -4.882 -17.021 1.00 1.39 H new ATOM 0 HD22 LEU A 34 -2.904 -4.317 -15.363 1.00 1.39 H new ATOM 0 HD23 LEU A 34 -1.699 -3.483 -16.373 1.00 1.39 H new ATOM 503 N THR A 35 -1.248 -2.035 -13.489 1.00 0.30 N ATOM 504 CA THR A 35 -2.182 -0.910 -13.426 1.00 0.33 C ATOM 505 C THR A 35 -2.028 -0.139 -12.118 1.00 0.34 C ATOM 506 O THR A 35 -1.790 -0.726 -11.062 1.00 0.44 O ATOM 507 CB THR A 35 -3.625 -1.401 -13.567 1.00 0.39 C ATOM 508 OG1 THR A 35 -3.905 -2.421 -12.628 1.00 0.97 O ATOM 509 CG2 THR A 35 -3.947 -1.935 -14.945 1.00 0.93 C ATOM 0 H THR A 35 -1.181 -2.576 -12.627 1.00 0.30 H new ATOM 0 HA THR A 35 -1.949 -0.240 -14.254 1.00 0.33 H new ATOM 0 HB THR A 35 -4.245 -0.523 -13.386 1.00 0.39 H new ATOM 0 HG1 THR A 35 -4.680 -2.163 -12.086 1.00 0.97 H new ATOM 0 HG21 THR A 35 -4.985 -2.265 -14.974 1.00 0.93 H new ATOM 0 HG22 THR A 35 -3.796 -1.149 -15.684 1.00 0.93 H new ATOM 0 HG23 THR A 35 -3.292 -2.776 -15.171 1.00 0.93 H new ATOM 517 N VAL A 36 -2.172 1.182 -12.200 1.00 0.33 N ATOM 518 CA VAL A 36 -2.055 2.043 -11.027 1.00 0.39 C ATOM 519 C VAL A 36 -3.304 2.907 -10.863 1.00 0.36 C ATOM 520 O VAL A 36 -4.020 3.166 -11.831 1.00 0.38 O ATOM 521 CB VAL A 36 -0.813 2.954 -11.119 1.00 0.51 C ATOM 522 CG1 VAL A 36 -0.932 3.910 -12.297 1.00 1.05 C ATOM 523 CG2 VAL A 36 -0.607 3.719 -9.820 1.00 1.21 C ATOM 0 H VAL A 36 -2.370 1.679 -13.068 1.00 0.33 H new ATOM 0 HA VAL A 36 -1.948 1.393 -10.159 1.00 0.39 H new ATOM 0 HB VAL A 36 0.060 2.323 -11.282 1.00 0.51 H new ATOM 0 HG11 VAL A 36 -0.046 4.543 -12.343 1.00 1.05 H new ATOM 0 HG12 VAL A 36 -1.019 3.339 -13.222 1.00 1.05 H new ATOM 0 HG13 VAL A 36 -1.817 4.534 -12.171 1.00 1.05 H new ATOM 0 HG21 VAL A 36 0.274 4.355 -9.908 1.00 1.21 H new ATOM 0 HG22 VAL A 36 -1.482 4.337 -9.619 1.00 1.21 H new ATOM 0 HG23 VAL A 36 -0.465 3.014 -9.001 1.00 1.21 H new ATOM 533 N SER A 37 -3.563 3.346 -9.634 1.00 0.35 N ATOM 534 CA SER A 37 -4.730 4.175 -9.349 1.00 0.35 C ATOM 535 C SER A 37 -4.499 5.624 -9.796 1.00 0.40 C ATOM 536 O SER A 37 -4.200 5.873 -10.964 1.00 0.72 O ATOM 537 CB SER A 37 -5.070 4.107 -7.858 1.00 0.36 C ATOM 538 OG SER A 37 -4.005 4.611 -7.070 1.00 1.35 O ATOM 0 H SER A 37 -2.982 3.142 -8.821 1.00 0.35 H new ATOM 0 HA SER A 37 -5.577 3.788 -9.916 1.00 0.35 H new ATOM 0 HB2 SER A 37 -5.976 4.681 -7.661 1.00 0.36 H new ATOM 0 HB3 SER A 37 -5.279 3.075 -7.576 1.00 0.36 H new ATOM 0 HG SER A 37 -3.338 3.906 -6.932 1.00 1.35 H new ATOM 544 N SER A 38 -4.643 6.578 -8.872 1.00 0.43 N ATOM 545 CA SER A 38 -4.452 7.991 -9.198 1.00 0.45 C ATOM 546 C SER A 38 -3.721 8.716 -8.064 1.00 0.47 C ATOM 547 O SER A 38 -2.691 8.242 -7.587 1.00 0.70 O ATOM 548 CB SER A 38 -5.807 8.648 -9.478 1.00 0.50 C ATOM 549 OG SER A 38 -5.649 9.993 -9.900 1.00 1.19 O ATOM 0 H SER A 38 -4.890 6.398 -7.899 1.00 0.43 H new ATOM 0 HA SER A 38 -3.835 8.064 -10.093 1.00 0.45 H new ATOM 0 HB2 SER A 38 -6.336 8.083 -10.246 1.00 0.50 H new ATOM 0 HB3 SER A 38 -6.422 8.616 -8.579 1.00 0.50 H new ATOM 0 HG SER A 38 -6.529 10.387 -10.073 1.00 1.19 H new ATOM 555 N PHE A 39 -4.252 9.861 -7.627 1.00 0.38 N ATOM 556 CA PHE A 39 -3.639 10.621 -6.545 1.00 0.43 C ATOM 557 C PHE A 39 -4.685 10.931 -5.484 1.00 0.40 C ATOM 558 O PHE A 39 -5.411 11.919 -5.582 1.00 0.65 O ATOM 559 CB PHE A 39 -3.016 11.924 -7.062 1.00 0.59 C ATOM 560 CG PHE A 39 -2.062 11.735 -8.211 1.00 1.42 C ATOM 561 CD1 PHE A 39 -2.534 11.366 -9.460 1.00 1.93 C ATOM 562 CD2 PHE A 39 -0.699 11.926 -8.044 1.00 2.21 C ATOM 563 CE1 PHE A 39 -1.667 11.193 -10.522 1.00 2.75 C ATOM 564 CE2 PHE A 39 0.174 11.753 -9.103 1.00 3.01 C ATOM 565 CZ PHE A 39 -0.290 11.381 -10.325 1.00 3.17 C ATOM 0 H PHE A 39 -5.102 10.277 -8.007 1.00 0.38 H new ATOM 0 HA PHE A 39 -2.842 10.017 -6.111 1.00 0.43 H new ATOM 0 HB2 PHE A 39 -3.814 12.597 -7.374 1.00 0.59 H new ATOM 0 HB3 PHE A 39 -2.489 12.412 -6.242 1.00 0.59 H new ATOM 0 HD1 PHE A 39 -3.593 11.212 -9.606 1.00 1.93 H new ATOM 0 HD2 PHE A 39 -0.315 12.213 -7.076 1.00 2.21 H new ATOM 0 HE1 PHE A 39 -2.045 10.916 -11.495 1.00 2.75 H new ATOM 0 HE2 PHE A 39 1.232 11.915 -8.958 1.00 3.01 H new ATOM 0 HZ PHE A 39 0.399 11.230 -11.143 1.00 3.17 H new ATOM 575 N TYR A 40 -4.776 10.061 -4.488 1.00 0.38 N ATOM 576 CA TYR A 40 -5.753 10.217 -3.420 1.00 0.37 C ATOM 577 C TYR A 40 -5.148 10.905 -2.202 1.00 0.40 C ATOM 578 O TYR A 40 -3.948 10.817 -1.960 1.00 0.53 O ATOM 579 CB TYR A 40 -6.317 8.849 -3.018 1.00 0.44 C ATOM 580 CG TYR A 40 -6.908 8.070 -4.175 1.00 0.49 C ATOM 581 CD1 TYR A 40 -6.100 7.584 -5.194 1.00 0.49 C ATOM 582 CD2 TYR A 40 -8.275 7.826 -4.250 1.00 0.59 C ATOM 583 CE1 TYR A 40 -6.637 6.877 -6.255 1.00 0.57 C ATOM 584 CE2 TYR A 40 -8.818 7.120 -5.306 1.00 0.67 C ATOM 585 CZ TYR A 40 -7.995 6.624 -6.291 1.00 0.66 C ATOM 586 OH TYR A 40 -8.532 5.942 -7.360 1.00 0.76 O ATOM 0 H TYR A 40 -4.182 9.237 -4.397 1.00 0.38 H new ATOM 0 HA TYR A 40 -6.558 10.847 -3.797 1.00 0.37 H new ATOM 0 HB2 TYR A 40 -5.523 8.258 -2.562 1.00 0.44 H new ATOM 0 HB3 TYR A 40 -7.085 8.992 -2.258 1.00 0.44 H new ATOM 0 HD1 TYR A 40 -5.035 7.761 -5.158 1.00 0.49 H new ATOM 0 HD2 TYR A 40 -8.923 8.195 -3.469 1.00 0.59 H new ATOM 0 HE1 TYR A 40 -5.998 6.525 -7.051 1.00 0.57 H new ATOM 0 HE2 TYR A 40 -9.884 6.958 -5.358 1.00 0.67 H new ATOM 0 HH TYR A 40 -9.499 5.845 -7.233 1.00 0.76 H new ATOM 596 N ARG A 41 -5.999 11.581 -1.437 1.00 0.43 N ATOM 597 CA ARG A 41 -5.562 12.279 -0.234 1.00 0.50 C ATOM 598 C ARG A 41 -6.415 11.852 0.957 1.00 0.54 C ATOM 599 O ARG A 41 -7.574 12.251 1.075 1.00 0.67 O ATOM 600 CB ARG A 41 -5.661 13.794 -0.435 1.00 0.66 C ATOM 601 CG ARG A 41 -5.139 14.602 0.739 1.00 0.69 C ATOM 602 CD ARG A 41 -5.329 16.096 0.515 1.00 0.94 C ATOM 603 NE ARG A 41 -4.833 16.884 1.640 1.00 1.56 N ATOM 604 CZ ARG A 41 -4.892 18.212 1.698 1.00 2.07 C ATOM 605 NH1 ARG A 41 -5.418 18.903 0.694 1.00 2.32 N ATOM 606 NH2 ARG A 41 -4.421 18.852 2.760 1.00 2.95 N ATOM 0 H ARG A 41 -6.997 11.660 -1.630 1.00 0.43 H new ATOM 0 HA ARG A 41 -4.522 12.019 -0.036 1.00 0.50 H new ATOM 0 HB2 ARG A 41 -5.104 14.070 -1.330 1.00 0.66 H new ATOM 0 HB3 ARG A 41 -6.703 14.060 -0.613 1.00 0.66 H new ATOM 0 HG2 ARG A 41 -5.657 14.300 1.649 1.00 0.69 H new ATOM 0 HG3 ARG A 41 -4.081 14.387 0.889 1.00 0.69 H new ATOM 0 HD2 ARG A 41 -4.809 16.395 -0.395 1.00 0.94 H new ATOM 0 HD3 ARG A 41 -6.387 16.308 0.362 1.00 0.94 H new ATOM 0 HE ARG A 41 -4.417 16.387 2.428 1.00 1.56 H new ATOM 0 HH11 ARG A 41 -5.779 18.416 -0.126 1.00 2.32 H new ATOM 0 HH12 ARG A 41 -5.461 19.921 0.743 1.00 2.32 H new ATOM 0 HH21 ARG A 41 -4.013 18.326 3.533 1.00 2.95 H new ATOM 0 HH22 ARG A 41 -4.467 19.870 2.804 1.00 2.95 H new ATOM 620 N THR A 42 -5.839 11.035 1.833 1.00 0.61 N ATOM 621 CA THR A 42 -6.556 10.548 3.008 1.00 0.73 C ATOM 622 C THR A 42 -5.727 10.744 4.278 1.00 0.84 C ATOM 623 O THR A 42 -4.499 10.684 4.239 1.00 1.10 O ATOM 624 CB THR A 42 -6.908 9.067 2.835 1.00 0.81 C ATOM 625 OG1 THR A 42 -7.591 8.575 3.972 1.00 1.30 O ATOM 626 CG2 THR A 42 -5.702 8.184 2.604 1.00 1.28 C ATOM 0 H THR A 42 -4.880 10.696 1.753 1.00 0.61 H new ATOM 0 HA THR A 42 -7.475 11.126 3.108 1.00 0.73 H new ATOM 0 HB THR A 42 -7.540 9.026 1.948 1.00 0.81 H new ATOM 0 HG1 THR A 42 -7.808 7.628 3.839 1.00 1.30 H new ATOM 0 HG21 THR A 42 -6.025 7.149 2.490 1.00 1.28 H new ATOM 0 HG22 THR A 42 -5.184 8.504 1.700 1.00 1.28 H new ATOM 0 HG23 THR A 42 -5.026 8.261 3.456 1.00 1.28 H new ATOM 634 N PRO A 43 -6.393 10.979 5.426 1.00 0.74 N ATOM 635 CA PRO A 43 -5.709 11.181 6.709 1.00 0.86 C ATOM 636 C PRO A 43 -4.800 10.006 7.066 1.00 0.90 C ATOM 637 O PRO A 43 -5.257 8.867 7.171 1.00 0.94 O ATOM 638 CB PRO A 43 -6.855 11.306 7.724 1.00 0.98 C ATOM 639 CG PRO A 43 -8.064 10.781 7.026 1.00 0.87 C ATOM 640 CD PRO A 43 -7.854 11.064 5.570 1.00 0.71 C ATOM 0 HA PRO A 43 -5.056 12.054 6.687 1.00 0.86 H new ATOM 0 HB2 PRO A 43 -6.644 10.734 8.627 1.00 0.98 H new ATOM 0 HB3 PRO A 43 -6.997 12.343 8.030 1.00 0.98 H new ATOM 0 HG2 PRO A 43 -8.183 9.712 7.203 1.00 0.87 H new ATOM 0 HG3 PRO A 43 -8.968 11.268 7.392 1.00 0.87 H new ATOM 0 HD2 PRO A 43 -8.365 10.337 4.939 1.00 0.71 H new ATOM 0 HD3 PRO A 43 -8.231 12.048 5.291 1.00 0.71 H new ATOM 648 N PRO A 44 -3.493 10.268 7.256 1.00 0.98 N ATOM 649 CA PRO A 44 -2.514 9.225 7.598 1.00 1.12 C ATOM 650 C PRO A 44 -2.901 8.454 8.855 1.00 1.19 C ATOM 651 O PRO A 44 -2.683 7.246 8.947 1.00 2.06 O ATOM 652 CB PRO A 44 -1.220 10.012 7.829 1.00 1.28 C ATOM 653 CG PRO A 44 -1.399 11.273 7.060 1.00 1.18 C ATOM 654 CD PRO A 44 -2.863 11.597 7.146 1.00 1.03 C ATOM 0 HA PRO A 44 -2.435 8.470 6.816 1.00 1.12 H new ATOM 0 HB2 PRO A 44 -1.064 10.214 8.889 1.00 1.28 H new ATOM 0 HB3 PRO A 44 -0.351 9.455 7.479 1.00 1.28 H new ATOM 0 HG2 PRO A 44 -0.795 12.077 7.480 1.00 1.18 H new ATOM 0 HG3 PRO A 44 -1.086 11.147 6.023 1.00 1.18 H new ATOM 0 HD2 PRO A 44 -3.088 12.222 8.010 1.00 1.03 H new ATOM 0 HD3 PRO A 44 -3.209 12.136 6.264 1.00 1.03 H new ATOM 662 N LEU A 45 -3.479 9.169 9.813 1.00 0.99 N ATOM 663 CA LEU A 45 -3.916 8.578 11.076 1.00 1.03 C ATOM 664 C LEU A 45 -2.737 8.089 11.906 1.00 1.08 C ATOM 665 O LEU A 45 -1.975 7.224 11.481 1.00 1.32 O ATOM 666 CB LEU A 45 -4.904 7.431 10.828 1.00 1.15 C ATOM 667 CG LEU A 45 -6.201 7.834 10.123 1.00 1.53 C ATOM 668 CD1 LEU A 45 -7.075 6.613 9.873 1.00 1.83 C ATOM 669 CD2 LEU A 45 -6.957 8.870 10.941 1.00 2.21 C ATOM 0 H LEU A 45 -3.658 10.170 9.739 1.00 0.99 H new ATOM 0 HA LEU A 45 -4.422 9.360 11.642 1.00 1.03 H new ATOM 0 HB2 LEU A 45 -4.407 6.666 10.232 1.00 1.15 H new ATOM 0 HB3 LEU A 45 -5.155 6.975 11.786 1.00 1.15 H new ATOM 0 HG LEU A 45 -5.943 8.277 9.161 1.00 1.53 H new ATOM 0 HD11 LEU A 45 -7.993 6.919 9.371 1.00 1.83 H new ATOM 0 HD12 LEU A 45 -6.537 5.903 9.245 1.00 1.83 H new ATOM 0 HD13 LEU A 45 -7.322 6.141 10.824 1.00 1.83 H new ATOM 0 HD21 LEU A 45 -7.876 9.143 10.422 1.00 2.21 H new ATOM 0 HD22 LEU A 45 -7.202 8.454 11.918 1.00 2.21 H new ATOM 0 HD23 LEU A 45 -6.336 9.756 11.069 1.00 2.21 H new ATOM 681 N GLY A 46 -2.596 8.663 13.099 1.00 1.09 N ATOM 682 CA GLY A 46 -1.511 8.295 13.991 1.00 1.18 C ATOM 683 C GLY A 46 -0.523 9.433 14.185 1.00 1.11 C ATOM 684 O GLY A 46 -0.924 10.593 14.259 1.00 1.19 O ATOM 0 H GLY A 46 -3.220 9.382 13.465 1.00 1.09 H new ATOM 0 HA2 GLY A 46 -1.920 8.001 14.958 1.00 1.18 H new ATOM 0 HA3 GLY A 46 -0.989 7.427 13.589 1.00 1.18 H new ATOM 688 N PRO A 47 0.781 9.132 14.286 1.00 1.12 N ATOM 689 CA PRO A 47 1.819 10.127 14.480 1.00 1.16 C ATOM 690 C PRO A 47 2.564 10.490 13.193 1.00 1.14 C ATOM 691 O PRO A 47 2.473 9.777 12.196 1.00 1.99 O ATOM 692 CB PRO A 47 2.757 9.397 15.425 1.00 1.36 C ATOM 693 CG PRO A 47 2.648 7.949 15.041 1.00 1.39 C ATOM 694 CD PRO A 47 1.368 7.790 14.249 1.00 1.26 C ATOM 0 HA PRO A 47 1.422 11.076 14.840 1.00 1.16 H new ATOM 0 HB2 PRO A 47 3.781 9.757 15.321 1.00 1.36 H new ATOM 0 HB3 PRO A 47 2.469 9.552 16.465 1.00 1.36 H new ATOM 0 HG2 PRO A 47 3.509 7.643 14.446 1.00 1.39 H new ATOM 0 HG3 PRO A 47 2.632 7.316 15.928 1.00 1.39 H new ATOM 0 HD2 PRO A 47 1.565 7.465 13.227 1.00 1.26 H new ATOM 0 HD3 PRO A 47 0.707 7.049 14.698 1.00 1.26 H new ATOM 702 N GLN A 48 3.308 11.605 13.272 1.00 0.95 N ATOM 703 CA GLN A 48 4.137 12.163 12.185 1.00 0.84 C ATOM 704 C GLN A 48 3.701 13.597 11.876 1.00 0.90 C ATOM 705 O GLN A 48 4.536 14.478 11.663 1.00 1.04 O ATOM 706 CB GLN A 48 4.116 11.333 10.882 1.00 0.83 C ATOM 707 CG GLN A 48 3.185 11.881 9.805 1.00 1.00 C ATOM 708 CD GLN A 48 2.469 10.811 9.012 1.00 1.29 C ATOM 709 OE1 GLN A 48 2.691 10.661 7.814 1.00 2.23 O ATOM 710 NE2 GLN A 48 1.593 10.068 9.682 1.00 1.15 N ATOM 0 H GLN A 48 3.352 12.164 14.124 1.00 0.95 H new ATOM 0 HA GLN A 48 5.162 12.137 12.554 1.00 0.84 H new ATOM 0 HB2 GLN A 48 5.128 11.283 10.480 1.00 0.83 H new ATOM 0 HB3 GLN A 48 3.817 10.312 11.120 1.00 0.83 H new ATOM 0 HG2 GLN A 48 2.444 12.529 10.274 1.00 1.00 H new ATOM 0 HG3 GLN A 48 3.763 12.501 9.120 1.00 1.00 H new ATOM 0 HE21 GLN A 48 1.443 10.230 10.678 1.00 1.15 H new ATOM 0 HE22 GLN A 48 1.071 9.336 9.200 1.00 1.15 H new ATOM 719 N ASP A 49 2.381 13.795 11.855 1.00 0.99 N ATOM 720 CA ASP A 49 1.749 15.085 11.568 1.00 1.16 C ATOM 721 C ASP A 49 0.337 14.842 11.051 1.00 1.20 C ATOM 722 O ASP A 49 -0.603 15.557 11.398 1.00 1.33 O ATOM 723 CB ASP A 49 2.544 15.890 10.530 1.00 1.28 C ATOM 724 CG ASP A 49 1.929 17.247 10.244 1.00 1.51 C ATOM 725 OD1 ASP A 49 0.786 17.282 9.739 1.00 1.70 O ATOM 726 OD2 ASP A 49 2.586 18.271 10.522 1.00 1.81 O ATOM 0 H ASP A 49 1.709 13.050 12.040 1.00 0.99 H new ATOM 0 HA ASP A 49 1.724 15.665 12.490 1.00 1.16 H new ATOM 0 HB2 ASP A 49 3.565 16.026 10.887 1.00 1.28 H new ATOM 0 HB3 ASP A 49 2.604 15.320 9.603 1.00 1.28 H new ATOM 731 N GLN A 50 0.208 13.813 10.216 1.00 1.19 N ATOM 732 CA GLN A 50 -1.075 13.431 9.628 1.00 1.31 C ATOM 733 C GLN A 50 -1.706 14.611 8.895 1.00 1.33 C ATOM 734 O GLN A 50 -2.763 15.107 9.284 1.00 1.40 O ATOM 735 CB GLN A 50 -2.054 12.901 10.683 1.00 1.42 C ATOM 736 CG GLN A 50 -1.408 12.258 11.907 1.00 1.67 C ATOM 737 CD GLN A 50 -0.255 11.337 11.561 1.00 1.43 C ATOM 738 OE1 GLN A 50 0.831 11.794 11.252 1.00 2.03 O ATOM 739 NE2 GLN A 50 -0.479 10.036 11.624 1.00 1.24 N ATOM 0 H GLN A 50 0.988 13.222 9.928 1.00 1.19 H new ATOM 0 HA GLN A 50 -0.872 12.629 8.918 1.00 1.31 H new ATOM 0 HB2 GLN A 50 -2.685 13.725 11.016 1.00 1.42 H new ATOM 0 HB3 GLN A 50 -2.709 12.169 10.211 1.00 1.42 H new ATOM 0 HG2 GLN A 50 -1.050 13.042 12.575 1.00 1.67 H new ATOM 0 HG3 GLN A 50 -2.163 11.694 12.454 1.00 1.67 H new ATOM 0 HE21 GLN A 50 -1.402 9.689 11.887 1.00 1.24 H new ATOM 0 HE22 GLN A 50 0.271 9.378 11.410 1.00 1.24 H new ATOM 748 N PRO A 51 -1.054 15.081 7.823 1.00 1.35 N ATOM 749 CA PRO A 51 -1.519 16.203 7.028 1.00 1.46 C ATOM 750 C PRO A 51 -2.250 15.758 5.767 1.00 1.54 C ATOM 751 O PRO A 51 -2.330 16.499 4.788 1.00 2.26 O ATOM 752 CB PRO A 51 -0.204 16.876 6.664 1.00 1.52 C ATOM 753 CG PRO A 51 0.780 15.750 6.541 1.00 1.53 C ATOM 754 CD PRO A 51 0.214 14.566 7.294 1.00 1.37 C ATOM 0 HA PRO A 51 -2.234 16.835 7.555 1.00 1.46 H new ATOM 0 HB2 PRO A 51 -0.289 17.431 5.730 1.00 1.52 H new ATOM 0 HB3 PRO A 51 0.102 17.587 7.431 1.00 1.52 H new ATOM 0 HG2 PRO A 51 0.943 15.496 5.494 1.00 1.53 H new ATOM 0 HG3 PRO A 51 1.747 16.039 6.953 1.00 1.53 H new ATOM 0 HD2 PRO A 51 0.059 13.709 6.639 1.00 1.37 H new ATOM 0 HD3 PRO A 51 0.881 14.240 8.092 1.00 1.37 H new ATOM 762 N ASP A 52 -2.770 14.534 5.800 1.00 1.24 N ATOM 763 CA ASP A 52 -3.483 13.964 4.663 1.00 1.23 C ATOM 764 C ASP A 52 -2.535 13.771 3.485 1.00 0.91 C ATOM 765 O ASP A 52 -2.533 14.556 2.537 1.00 1.55 O ATOM 766 CB ASP A 52 -4.659 14.857 4.263 1.00 1.67 C ATOM 767 CG ASP A 52 -5.639 15.068 5.400 1.00 2.16 C ATOM 768 OD1 ASP A 52 -5.225 15.607 6.447 1.00 2.56 O ATOM 769 OD2 ASP A 52 -6.820 14.694 5.244 1.00 2.69 O ATOM 0 H ASP A 52 -2.710 13.915 6.608 1.00 1.24 H new ATOM 0 HA ASP A 52 -3.876 12.990 4.955 1.00 1.23 H new ATOM 0 HB2 ASP A 52 -4.281 15.823 3.929 1.00 1.67 H new ATOM 0 HB3 ASP A 52 -5.180 14.409 3.417 1.00 1.67 H new ATOM 774 N TYR A 53 -1.717 12.724 3.565 1.00 0.76 N ATOM 775 CA TYR A 53 -0.743 12.419 2.521 1.00 1.08 C ATOM 776 C TYR A 53 -1.412 12.101 1.191 1.00 0.87 C ATOM 777 O TYR A 53 -2.637 12.101 1.078 1.00 0.98 O ATOM 778 CB TYR A 53 0.132 11.229 2.946 1.00 1.83 C ATOM 779 CG TYR A 53 -0.637 9.957 3.276 1.00 2.62 C ATOM 780 CD1 TYR A 53 -1.554 9.412 2.385 1.00 3.26 C ATOM 781 CD2 TYR A 53 -0.434 9.299 4.482 1.00 3.32 C ATOM 782 CE1 TYR A 53 -2.245 8.254 2.687 1.00 4.34 C ATOM 783 CE2 TYR A 53 -1.122 8.141 4.786 1.00 4.46 C ATOM 784 CZ TYR A 53 -2.024 7.622 3.889 1.00 4.90 C ATOM 785 OH TYR A 53 -2.709 6.470 4.195 1.00 6.13 O ATOM 0 H TYR A 53 -1.710 12.069 4.347 1.00 0.76 H new ATOM 0 HA TYR A 53 -0.126 13.308 2.386 1.00 1.08 H new ATOM 0 HB2 TYR A 53 0.839 11.012 2.146 1.00 1.83 H new ATOM 0 HB3 TYR A 53 0.717 11.520 3.818 1.00 1.83 H new ATOM 0 HD1 TYR A 53 -1.730 9.903 1.439 1.00 3.26 H new ATOM 0 HD2 TYR A 53 0.273 9.699 5.193 1.00 3.32 H new ATOM 0 HE1 TYR A 53 -2.955 7.847 1.983 1.00 4.34 H new ATOM 0 HE2 TYR A 53 -0.951 7.643 5.729 1.00 4.46 H new ATOM 0 HH TYR A 53 -2.795 5.917 3.391 1.00 6.13 H new ATOM 795 N LEU A 54 -0.585 11.788 0.200 1.00 0.72 N ATOM 796 CA LEU A 54 -1.074 11.414 -1.119 1.00 0.59 C ATOM 797 C LEU A 54 -0.791 9.937 -1.360 1.00 0.61 C ATOM 798 O LEU A 54 0.358 9.535 -1.534 1.00 0.88 O ATOM 799 CB LEU A 54 -0.435 12.275 -2.214 1.00 0.60 C ATOM 800 CG LEU A 54 -0.687 11.795 -3.644 1.00 0.54 C ATOM 801 CD1 LEU A 54 -0.881 12.980 -4.574 1.00 0.92 C ATOM 802 CD2 LEU A 54 0.464 10.932 -4.134 1.00 1.10 C ATOM 0 H LEU A 54 0.431 11.786 0.287 1.00 0.72 H new ATOM 0 HA LEU A 54 -2.150 11.587 -1.157 1.00 0.59 H new ATOM 0 HB2 LEU A 54 -0.809 13.294 -2.118 1.00 0.60 H new ATOM 0 HB3 LEU A 54 0.641 12.313 -2.044 1.00 0.60 H new ATOM 0 HG LEU A 54 -1.596 11.193 -3.644 1.00 0.54 H new ATOM 0 HD11 LEU A 54 -1.059 12.622 -5.588 1.00 0.92 H new ATOM 0 HD12 LEU A 54 -1.737 13.567 -4.241 1.00 0.92 H new ATOM 0 HD13 LEU A 54 0.014 13.603 -4.561 1.00 0.92 H new ATOM 0 HD21 LEU A 54 0.263 10.602 -5.153 1.00 1.10 H new ATOM 0 HD22 LEU A 54 1.387 11.512 -4.116 1.00 1.10 H new ATOM 0 HD23 LEU A 54 0.569 10.063 -3.485 1.00 1.10 H new ATOM 814 N ASN A 55 -1.844 9.130 -1.340 1.00 0.50 N ATOM 815 CA ASN A 55 -1.700 7.695 -1.530 1.00 0.58 C ATOM 816 C ASN A 55 -2.246 7.248 -2.876 1.00 0.57 C ATOM 817 O ASN A 55 -2.882 8.022 -3.592 1.00 0.70 O ATOM 818 CB ASN A 55 -2.419 6.945 -0.415 1.00 0.82 C ATOM 819 CG ASN A 55 -3.908 7.229 -0.396 1.00 1.80 C ATOM 820 OD1 ASN A 55 -4.333 8.372 -0.230 1.00 2.63 O ATOM 821 ND2 ASN A 55 -4.709 6.185 -0.569 1.00 2.49 N ATOM 0 H ASN A 55 -2.803 9.445 -1.195 1.00 0.50 H new ATOM 0 HA ASN A 55 -0.635 7.466 -1.503 1.00 0.58 H new ATOM 0 HB2 ASN A 55 -2.257 5.874 -0.538 1.00 0.82 H new ATOM 0 HB3 ASN A 55 -1.986 7.224 0.545 1.00 0.82 H new ATOM 0 HD21 ASN A 55 -5.721 6.313 -0.568 1.00 2.49 H new ATOM 0 HD22 ASN A 55 -4.313 5.255 -0.703 1.00 2.49 H new ATOM 828 N ALA A 56 -1.989 5.985 -3.207 1.00 0.51 N ATOM 829 CA ALA A 56 -2.445 5.403 -4.463 1.00 0.57 C ATOM 830 C ALA A 56 -1.970 3.964 -4.602 1.00 0.54 C ATOM 831 O ALA A 56 -0.783 3.716 -4.816 1.00 0.75 O ATOM 832 CB ALA A 56 -1.946 6.229 -5.640 1.00 0.61 C ATOM 0 H ALA A 56 -1.463 5.342 -2.616 1.00 0.51 H new ATOM 0 HA ALA A 56 -3.535 5.407 -4.460 1.00 0.57 H new ATOM 0 HB1 ALA A 56 -2.294 5.783 -6.571 1.00 0.61 H new ATOM 0 HB2 ALA A 56 -2.330 7.246 -5.559 1.00 0.61 H new ATOM 0 HB3 ALA A 56 -0.856 6.251 -5.633 1.00 0.61 H new ATOM 838 N ALA A 57 -2.894 3.012 -4.492 1.00 0.31 N ATOM 839 CA ALA A 57 -2.540 1.608 -4.620 1.00 0.29 C ATOM 840 C ALA A 57 -2.109 1.301 -6.047 1.00 0.29 C ATOM 841 O ALA A 57 -2.272 2.133 -6.940 1.00 0.39 O ATOM 842 CB ALA A 57 -3.716 0.738 -4.222 1.00 0.33 C ATOM 0 H ALA A 57 -3.883 3.188 -4.316 1.00 0.31 H new ATOM 0 HA ALA A 57 -1.705 1.392 -3.954 1.00 0.29 H new ATOM 0 HB1 ALA A 57 -3.442 -0.312 -4.321 1.00 0.33 H new ATOM 0 HB2 ALA A 57 -3.989 0.946 -3.187 1.00 0.33 H new ATOM 0 HB3 ALA A 57 -4.565 0.954 -4.871 1.00 0.33 H new ATOM 848 N VAL A 58 -1.566 0.109 -6.270 1.00 0.26 N ATOM 849 CA VAL A 58 -1.130 -0.273 -7.605 1.00 0.27 C ATOM 850 C VAL A 58 -0.925 -1.775 -7.730 1.00 0.27 C ATOM 851 O VAL A 58 -0.184 -2.383 -6.958 1.00 0.28 O ATOM 852 CB VAL A 58 0.165 0.458 -7.997 1.00 0.31 C ATOM 853 CG1 VAL A 58 1.266 0.191 -6.982 1.00 1.20 C ATOM 854 CG2 VAL A 58 0.610 0.058 -9.396 1.00 0.98 C ATOM 0 H VAL A 58 -1.419 -0.601 -5.552 1.00 0.26 H new ATOM 0 HA VAL A 58 -1.927 0.021 -8.288 1.00 0.27 H new ATOM 0 HB VAL A 58 -0.039 1.529 -8.000 1.00 0.31 H new ATOM 0 HG11 VAL A 58 2.172 0.718 -7.281 1.00 1.20 H new ATOM 0 HG12 VAL A 58 0.949 0.542 -6.000 1.00 1.20 H new ATOM 0 HG13 VAL A 58 1.468 -0.879 -6.937 1.00 1.20 H new ATOM 0 HG21 VAL A 58 1.528 0.588 -9.651 1.00 0.98 H new ATOM 0 HG22 VAL A 58 0.791 -1.016 -9.427 1.00 0.98 H new ATOM 0 HG23 VAL A 58 -0.169 0.316 -10.113 1.00 0.98 H new ATOM 864 N ALA A 59 -1.604 -2.370 -8.708 1.00 0.28 N ATOM 865 CA ALA A 59 -1.507 -3.802 -8.935 1.00 0.29 C ATOM 866 C ALA A 59 -0.204 -4.163 -9.640 1.00 0.31 C ATOM 867 O ALA A 59 -0.129 -4.185 -10.869 1.00 0.50 O ATOM 868 CB ALA A 59 -2.698 -4.282 -9.751 1.00 0.31 C ATOM 0 H ALA A 59 -2.225 -1.880 -9.352 1.00 0.28 H new ATOM 0 HA ALA A 59 -1.513 -4.300 -7.966 1.00 0.29 H new ATOM 0 HB1 ALA A 59 -2.617 -5.356 -9.916 1.00 0.31 H new ATOM 0 HB2 ALA A 59 -3.620 -4.067 -9.211 1.00 0.31 H new ATOM 0 HB3 ALA A 59 -2.712 -3.767 -10.712 1.00 0.31 H new ATOM 874 N LEU A 60 0.819 -4.448 -8.841 1.00 0.28 N ATOM 875 CA LEU A 60 2.134 -4.820 -9.358 1.00 0.28 C ATOM 876 C LEU A 60 2.126 -6.247 -9.875 1.00 0.30 C ATOM 877 O LEU A 60 2.018 -7.195 -9.099 1.00 0.33 O ATOM 878 CB LEU A 60 3.194 -4.687 -8.255 1.00 0.29 C ATOM 879 CG LEU A 60 4.601 -5.194 -8.617 1.00 0.29 C ATOM 880 CD1 LEU A 60 5.214 -4.339 -9.710 1.00 0.35 C ATOM 881 CD2 LEU A 60 5.493 -5.194 -7.385 1.00 0.31 C ATOM 0 H LEU A 60 0.762 -4.428 -7.823 1.00 0.28 H new ATOM 0 HA LEU A 60 2.376 -4.147 -10.180 1.00 0.28 H new ATOM 0 HB2 LEU A 60 3.268 -3.637 -7.972 1.00 0.29 H new ATOM 0 HB3 LEU A 60 2.847 -5.230 -7.376 1.00 0.29 H new ATOM 0 HG LEU A 60 4.514 -6.215 -8.988 1.00 0.29 H new ATOM 0 HD11 LEU A 60 6.209 -4.714 -9.951 1.00 0.35 H new ATOM 0 HD12 LEU A 60 4.585 -4.380 -10.600 1.00 0.35 H new ATOM 0 HD13 LEU A 60 5.289 -3.307 -9.366 1.00 0.35 H new ATOM 0 HD21 LEU A 60 6.486 -5.555 -7.654 1.00 0.31 H new ATOM 0 HD22 LEU A 60 5.570 -4.180 -6.991 1.00 0.31 H new ATOM 0 HD23 LEU A 60 5.064 -5.847 -6.625 1.00 0.31 H new ATOM 893 N GLU A 61 2.274 -6.408 -11.182 1.00 0.32 N ATOM 894 CA GLU A 61 2.311 -7.739 -11.758 1.00 0.36 C ATOM 895 C GLU A 61 3.667 -8.339 -11.445 1.00 0.34 C ATOM 896 O GLU A 61 4.633 -8.147 -12.185 1.00 0.36 O ATOM 897 CB GLU A 61 2.084 -7.678 -13.267 1.00 0.43 C ATOM 898 CG GLU A 61 1.849 -9.038 -13.900 1.00 0.52 C ATOM 899 CD GLU A 61 1.593 -8.953 -15.392 1.00 1.37 C ATOM 900 OE1 GLU A 61 2.476 -8.452 -16.120 1.00 1.88 O ATOM 901 OE2 GLU A 61 0.506 -9.386 -15.833 1.00 2.11 O ATOM 0 H GLU A 61 2.369 -5.645 -11.852 1.00 0.32 H new ATOM 0 HA GLU A 61 1.519 -8.356 -11.335 1.00 0.36 H new ATOM 0 HB2 GLU A 61 1.226 -7.038 -13.472 1.00 0.43 H new ATOM 0 HB3 GLU A 61 2.949 -7.212 -13.738 1.00 0.43 H new ATOM 0 HG2 GLU A 61 2.717 -9.673 -13.720 1.00 0.52 H new ATOM 0 HG3 GLU A 61 0.998 -9.517 -13.416 1.00 0.52 H new ATOM 908 N THR A 62 3.739 -9.027 -10.318 1.00 0.34 N ATOM 909 CA THR A 62 4.986 -9.614 -9.866 1.00 0.35 C ATOM 910 C THR A 62 4.838 -11.085 -9.517 1.00 0.39 C ATOM 911 O THR A 62 3.732 -11.619 -9.443 1.00 0.61 O ATOM 912 CB THR A 62 5.493 -8.838 -8.645 1.00 0.40 C ATOM 913 OG1 THR A 62 6.572 -9.510 -8.028 1.00 0.43 O ATOM 914 CG2 THR A 62 4.428 -8.623 -7.590 1.00 0.52 C ATOM 0 H THR A 62 2.945 -9.192 -9.699 1.00 0.34 H new ATOM 0 HA THR A 62 5.703 -9.548 -10.684 1.00 0.35 H new ATOM 0 HB THR A 62 5.805 -7.869 -9.034 1.00 0.40 H new ATOM 0 HG1 THR A 62 7.418 -9.151 -8.368 1.00 0.43 H new ATOM 0 HG21 THR A 62 4.852 -8.068 -6.753 1.00 0.52 H new ATOM 0 HG22 THR A 62 3.600 -8.058 -8.018 1.00 0.52 H new ATOM 0 HG23 THR A 62 4.064 -9.588 -7.238 1.00 0.52 H new ATOM 922 N SER A 63 5.974 -11.719 -9.289 1.00 0.37 N ATOM 923 CA SER A 63 6.026 -13.122 -8.925 1.00 0.48 C ATOM 924 C SER A 63 7.093 -13.327 -7.870 1.00 0.42 C ATOM 925 O SER A 63 7.333 -14.447 -7.418 1.00 0.45 O ATOM 926 CB SER A 63 6.329 -13.986 -10.145 1.00 0.69 C ATOM 927 OG SER A 63 7.531 -13.577 -10.772 1.00 1.22 O ATOM 0 H SER A 63 6.889 -11.273 -9.351 1.00 0.37 H new ATOM 0 HA SER A 63 5.055 -13.419 -8.529 1.00 0.48 H new ATOM 0 HB2 SER A 63 6.409 -15.031 -9.844 1.00 0.69 H new ATOM 0 HB3 SER A 63 5.504 -13.921 -10.855 1.00 0.69 H new ATOM 0 HG SER A 63 7.704 -14.147 -11.550 1.00 1.22 H new ATOM 933 N LEU A 64 7.732 -12.228 -7.481 1.00 0.37 N ATOM 934 CA LEU A 64 8.779 -12.283 -6.472 1.00 0.35 C ATOM 935 C LEU A 64 8.210 -12.845 -5.171 1.00 0.50 C ATOM 936 O LEU A 64 7.038 -12.628 -4.860 1.00 0.82 O ATOM 937 CB LEU A 64 9.370 -10.882 -6.259 1.00 0.49 C ATOM 938 CG LEU A 64 10.706 -10.818 -5.505 1.00 0.48 C ATOM 939 CD1 LEU A 64 10.515 -11.105 -4.026 1.00 0.90 C ATOM 940 CD2 LEU A 64 11.710 -11.788 -6.110 1.00 0.84 C ATOM 0 H LEU A 64 7.543 -11.295 -7.848 1.00 0.37 H new ATOM 0 HA LEU A 64 9.579 -12.942 -6.808 1.00 0.35 H new ATOM 0 HB2 LEU A 64 9.504 -10.415 -7.235 1.00 0.49 H new ATOM 0 HB3 LEU A 64 8.641 -10.281 -5.716 1.00 0.49 H new ATOM 0 HG LEU A 64 11.098 -9.806 -5.604 1.00 0.48 H new ATOM 0 HD11 LEU A 64 11.478 -11.053 -3.518 1.00 0.90 H new ATOM 0 HD12 LEU A 64 9.838 -10.367 -3.597 1.00 0.90 H new ATOM 0 HD13 LEU A 64 10.092 -12.102 -3.900 1.00 0.90 H new ATOM 0 HD21 LEU A 64 12.650 -11.728 -5.562 1.00 0.84 H new ATOM 0 HD22 LEU A 64 11.318 -12.803 -6.048 1.00 0.84 H new ATOM 0 HD23 LEU A 64 11.882 -11.529 -7.155 1.00 0.84 H new ATOM 952 N ALA A 65 9.037 -13.581 -4.430 1.00 0.58 N ATOM 953 CA ALA A 65 8.619 -14.190 -3.171 1.00 0.89 C ATOM 954 C ALA A 65 7.704 -13.263 -2.379 1.00 0.60 C ATOM 955 O ALA A 65 7.981 -12.074 -2.244 1.00 0.59 O ATOM 956 CB ALA A 65 9.835 -14.570 -2.340 1.00 1.41 C ATOM 0 H ALA A 65 10.007 -13.770 -4.683 1.00 0.58 H new ATOM 0 HA ALA A 65 8.054 -15.092 -3.407 1.00 0.89 H new ATOM 0 HB1 ALA A 65 9.509 -15.023 -1.404 1.00 1.41 H new ATOM 0 HB2 ALA A 65 10.446 -15.282 -2.894 1.00 1.41 H new ATOM 0 HB3 ALA A 65 10.423 -13.677 -2.126 1.00 1.41 H new ATOM 962 N PRO A 66 6.593 -13.796 -1.848 1.00 0.50 N ATOM 963 CA PRO A 66 5.633 -13.006 -1.073 1.00 0.40 C ATOM 964 C PRO A 66 6.256 -12.368 0.152 1.00 0.41 C ATOM 965 O PRO A 66 5.691 -11.449 0.740 1.00 0.62 O ATOM 966 CB PRO A 66 4.584 -14.021 -0.629 1.00 0.47 C ATOM 967 CG PRO A 66 4.764 -15.218 -1.497 1.00 0.75 C ATOM 968 CD PRO A 66 6.189 -15.205 -1.974 1.00 0.64 C ATOM 0 HA PRO A 66 5.236 -12.185 -1.671 1.00 0.40 H new ATOM 0 HB2 PRO A 66 4.714 -14.280 0.422 1.00 0.47 H new ATOM 0 HB3 PRO A 66 3.579 -13.612 -0.734 1.00 0.47 H new ATOM 0 HG2 PRO A 66 4.551 -16.132 -0.942 1.00 0.75 H new ATOM 0 HG3 PRO A 66 4.075 -15.190 -2.341 1.00 0.75 H new ATOM 0 HD2 PRO A 66 6.819 -15.857 -1.368 1.00 0.64 H new ATOM 0 HD3 PRO A 66 6.268 -15.553 -3.004 1.00 0.64 H new ATOM 976 N GLU A 67 7.411 -12.874 0.541 1.00 0.40 N ATOM 977 CA GLU A 67 8.103 -12.368 1.713 1.00 0.44 C ATOM 978 C GLU A 67 9.206 -11.387 1.342 1.00 0.37 C ATOM 979 O GLU A 67 9.473 -10.440 2.081 1.00 0.40 O ATOM 980 CB GLU A 67 8.658 -13.531 2.531 1.00 0.57 C ATOM 981 CG GLU A 67 9.265 -14.622 1.671 1.00 0.65 C ATOM 982 CD GLU A 67 9.843 -15.760 2.488 1.00 0.80 C ATOM 983 OE1 GLU A 67 9.081 -16.394 3.247 1.00 1.28 O ATOM 984 OE2 GLU A 67 11.061 -16.017 2.368 1.00 1.19 O ATOM 0 H GLU A 67 7.891 -13.636 0.062 1.00 0.40 H new ATOM 0 HA GLU A 67 7.382 -11.819 2.320 1.00 0.44 H new ATOM 0 HB2 GLU A 67 9.415 -13.155 3.220 1.00 0.57 H new ATOM 0 HB3 GLU A 67 7.858 -13.956 3.137 1.00 0.57 H new ATOM 0 HG2 GLU A 67 8.503 -15.014 0.998 1.00 0.65 H new ATOM 0 HG3 GLU A 67 10.050 -14.193 1.048 1.00 0.65 H new ATOM 991 N GLU A 68 9.843 -11.606 0.198 1.00 0.34 N ATOM 992 CA GLU A 68 10.909 -10.717 -0.240 1.00 0.31 C ATOM 993 C GLU A 68 10.363 -9.546 -1.054 1.00 0.29 C ATOM 994 O GLU A 68 11.003 -8.502 -1.144 1.00 0.30 O ATOM 995 CB GLU A 68 11.972 -11.470 -1.036 1.00 0.37 C ATOM 996 CG GLU A 68 13.181 -10.609 -1.371 1.00 0.34 C ATOM 997 CD GLU A 68 14.275 -11.383 -2.083 1.00 0.53 C ATOM 998 OE1 GLU A 68 14.079 -12.589 -2.343 1.00 1.21 O ATOM 999 OE2 GLU A 68 15.330 -10.783 -2.382 1.00 1.02 O ATOM 0 H GLU A 68 9.643 -12.381 -0.435 1.00 0.34 H new ATOM 0 HA GLU A 68 11.378 -10.315 0.658 1.00 0.31 H new ATOM 0 HB2 GLU A 68 12.298 -12.339 -0.465 1.00 0.37 H new ATOM 0 HB3 GLU A 68 11.530 -11.843 -1.960 1.00 0.37 H new ATOM 0 HG2 GLU A 68 12.865 -9.775 -1.998 1.00 0.34 H new ATOM 0 HG3 GLU A 68 13.583 -10.182 -0.452 1.00 0.34 H new ATOM 1006 N LEU A 69 9.183 -9.723 -1.648 1.00 0.32 N ATOM 1007 CA LEU A 69 8.575 -8.664 -2.450 1.00 0.36 C ATOM 1008 C LEU A 69 8.409 -7.416 -1.602 1.00 0.35 C ATOM 1009 O LEU A 69 9.042 -6.396 -1.868 1.00 0.41 O ATOM 1010 CB LEU A 69 7.232 -9.130 -3.027 1.00 0.42 C ATOM 1011 CG LEU A 69 6.493 -8.131 -3.933 1.00 0.54 C ATOM 1012 CD1 LEU A 69 5.882 -6.996 -3.127 1.00 1.08 C ATOM 1013 CD2 LEU A 69 7.432 -7.582 -5.001 1.00 1.51 C ATOM 0 H LEU A 69 8.634 -10.581 -1.590 1.00 0.32 H new ATOM 0 HA LEU A 69 9.228 -8.427 -3.290 1.00 0.36 H new ATOM 0 HB2 LEU A 69 7.403 -10.044 -3.595 1.00 0.42 H new ATOM 0 HB3 LEU A 69 6.575 -9.389 -2.197 1.00 0.42 H new ATOM 0 HG LEU A 69 5.680 -8.666 -4.423 1.00 0.54 H new ATOM 0 HD11 LEU A 69 5.368 -6.309 -3.799 1.00 1.08 H new ATOM 0 HD12 LEU A 69 5.170 -7.402 -2.408 1.00 1.08 H new ATOM 0 HD13 LEU A 69 6.670 -6.462 -2.595 1.00 1.08 H new ATOM 0 HD21 LEU A 69 6.892 -6.877 -5.633 1.00 1.51 H new ATOM 0 HD22 LEU A 69 8.269 -7.073 -4.523 1.00 1.51 H new ATOM 0 HD23 LEU A 69 7.807 -8.403 -5.612 1.00 1.51 H new ATOM 1025 N LEU A 70 7.594 -7.508 -0.552 1.00 0.33 N ATOM 1026 CA LEU A 70 7.417 -6.376 0.346 1.00 0.39 C ATOM 1027 C LEU A 70 8.779 -5.966 0.872 1.00 0.42 C ATOM 1028 O LEU A 70 9.109 -4.782 0.939 1.00 0.61 O ATOM 1029 CB LEU A 70 6.479 -6.742 1.504 1.00 0.44 C ATOM 1030 CG LEU A 70 6.464 -5.775 2.699 1.00 0.58 C ATOM 1031 CD1 LEU A 70 5.180 -5.939 3.494 1.00 1.16 C ATOM 1032 CD2 LEU A 70 7.661 -6.016 3.609 1.00 1.01 C ATOM 0 H LEU A 70 7.056 -8.340 -0.308 1.00 0.33 H new ATOM 0 HA LEU A 70 6.962 -5.545 -0.194 1.00 0.39 H new ATOM 0 HB2 LEU A 70 5.465 -6.818 1.112 1.00 0.44 H new ATOM 0 HB3 LEU A 70 6.755 -7.732 1.868 1.00 0.44 H new ATOM 0 HG LEU A 70 6.520 -4.759 2.309 1.00 0.58 H new ATOM 0 HD11 LEU A 70 5.183 -5.248 4.337 1.00 1.16 H new ATOM 0 HD12 LEU A 70 4.325 -5.725 2.853 1.00 1.16 H new ATOM 0 HD13 LEU A 70 5.109 -6.962 3.864 1.00 1.16 H new ATOM 0 HD21 LEU A 70 7.627 -5.319 4.447 1.00 1.01 H new ATOM 0 HD22 LEU A 70 7.632 -7.038 3.986 1.00 1.01 H new ATOM 0 HD23 LEU A 70 8.582 -5.863 3.047 1.00 1.01 H new ATOM 1044 N ASN A 71 9.569 -6.972 1.226 1.00 0.31 N ATOM 1045 CA ASN A 71 10.918 -6.751 1.728 1.00 0.35 C ATOM 1046 C ASN A 71 11.687 -5.851 0.766 1.00 0.38 C ATOM 1047 O ASN A 71 12.494 -5.018 1.183 1.00 0.45 O ATOM 1048 CB ASN A 71 11.649 -8.086 1.901 1.00 0.36 C ATOM 1049 CG ASN A 71 13.012 -7.946 2.561 1.00 1.06 C ATOM 1050 OD1 ASN A 71 13.772 -8.912 2.643 1.00 1.87 O ATOM 1051 ND2 ASN A 71 13.329 -6.751 3.052 1.00 1.53 N ATOM 0 H ASN A 71 9.296 -7.953 1.174 1.00 0.31 H new ATOM 0 HA ASN A 71 10.856 -6.262 2.700 1.00 0.35 H new ATOM 0 HB2 ASN A 71 11.031 -8.756 2.499 1.00 0.36 H new ATOM 0 HB3 ASN A 71 11.773 -8.554 0.924 1.00 0.36 H new ATOM 0 HD21 ASN A 71 14.227 -6.612 3.515 1.00 1.53 H new ATOM 0 HD22 ASN A 71 12.674 -5.974 2.965 1.00 1.53 H new ATOM 1058 N HIS A 72 11.406 -6.005 -0.529 1.00 0.35 N ATOM 1059 CA HIS A 72 12.042 -5.192 -1.551 1.00 0.42 C ATOM 1060 C HIS A 72 11.415 -3.812 -1.569 1.00 0.41 C ATOM 1061 O HIS A 72 12.115 -2.804 -1.516 1.00 0.43 O ATOM 1062 CB HIS A 72 11.912 -5.832 -2.934 1.00 0.51 C ATOM 1063 CG HIS A 72 12.906 -6.917 -3.197 1.00 1.07 C ATOM 1064 ND1 HIS A 72 14.263 -6.756 -3.001 1.00 2.09 N ATOM 1065 CD2 HIS A 72 12.742 -8.178 -3.664 1.00 1.39 C ATOM 1066 CE1 HIS A 72 14.890 -7.870 -3.337 1.00 2.99 C ATOM 1067 NE2 HIS A 72 13.990 -8.745 -3.741 1.00 2.56 N ATOM 0 H HIS A 72 10.740 -6.688 -0.889 1.00 0.35 H new ATOM 0 HA HIS A 72 13.102 -5.115 -1.310 1.00 0.42 H new ATOM 0 HB2 HIS A 72 10.907 -6.240 -3.041 1.00 0.51 H new ATOM 0 HB3 HIS A 72 12.025 -5.058 -3.693 1.00 0.51 H new ATOM 0 HD1 HIS A 72 14.712 -5.909 -2.651 1.00 2.09 H new ATOM 0 HD2 HIS A 72 11.806 -8.649 -3.926 1.00 1.39 H new ATOM 0 HE1 HIS A 72 15.956 -8.035 -3.289 1.00 2.99 H new ATOM 1076 N THR A 73 10.088 -3.771 -1.627 1.00 0.45 N ATOM 1077 CA THR A 73 9.379 -2.500 -1.629 1.00 0.49 C ATOM 1078 C THR A 73 9.804 -1.664 -0.427 1.00 0.46 C ATOM 1079 O THR A 73 9.665 -0.443 -0.423 1.00 0.47 O ATOM 1080 CB THR A 73 7.865 -2.721 -1.611 1.00 0.58 C ATOM 1081 OG1 THR A 73 7.468 -3.398 -0.434 1.00 0.62 O ATOM 1082 CG2 THR A 73 7.362 -3.522 -2.792 1.00 0.66 C ATOM 0 H THR A 73 9.488 -4.595 -1.673 1.00 0.45 H new ATOM 0 HA THR A 73 9.634 -1.964 -2.543 1.00 0.49 H new ATOM 0 HB THR A 73 7.430 -1.723 -1.657 1.00 0.58 H new ATOM 0 HG1 THR A 73 8.261 -3.737 0.032 1.00 0.62 H new ATOM 0 HG21 THR A 73 6.281 -3.642 -2.717 1.00 0.66 H new ATOM 0 HG22 THR A 73 7.606 -2.999 -3.717 1.00 0.66 H new ATOM 0 HG23 THR A 73 7.836 -4.503 -2.795 1.00 0.66 H new ATOM 1090 N GLN A 74 10.335 -2.340 0.589 1.00 0.49 N ATOM 1091 CA GLN A 74 10.797 -1.674 1.802 1.00 0.49 C ATOM 1092 C GLN A 74 12.026 -0.812 1.532 1.00 0.43 C ATOM 1093 O GLN A 74 12.160 0.274 2.096 1.00 0.45 O ATOM 1094 CB GLN A 74 11.119 -2.703 2.886 1.00 0.60 C ATOM 1095 CG GLN A 74 9.889 -3.355 3.492 1.00 0.65 C ATOM 1096 CD GLN A 74 8.985 -2.356 4.189 1.00 0.87 C ATOM 1097 OE1 GLN A 74 9.391 -1.698 5.147 1.00 1.66 O ATOM 1098 NE2 GLN A 74 7.752 -2.236 3.708 1.00 1.05 N ATOM 0 H GLN A 74 10.456 -3.353 0.595 1.00 0.49 H new ATOM 0 HA GLN A 74 9.992 -1.025 2.147 1.00 0.49 H new ATOM 0 HB2 GLN A 74 11.758 -3.477 2.461 1.00 0.60 H new ATOM 0 HB3 GLN A 74 11.690 -2.217 3.678 1.00 0.60 H new ATOM 0 HG2 GLN A 74 9.327 -3.863 2.708 1.00 0.65 H new ATOM 0 HG3 GLN A 74 10.201 -4.118 4.206 1.00 0.65 H new ATOM 0 HE21 GLN A 74 7.458 -2.802 2.912 1.00 1.05 H new ATOM 0 HE22 GLN A 74 7.100 -1.578 4.135 1.00 1.05 H new ATOM 1107 N ARG A 75 12.926 -1.300 0.680 1.00 0.44 N ATOM 1108 CA ARG A 75 14.138 -0.558 0.365 1.00 0.46 C ATOM 1109 C ARG A 75 13.795 0.809 -0.210 1.00 0.43 C ATOM 1110 O ARG A 75 14.570 1.749 -0.084 1.00 0.52 O ATOM 1111 CB ARG A 75 15.034 -1.329 -0.608 1.00 0.59 C ATOM 1112 CG ARG A 75 14.557 -1.306 -2.050 1.00 1.17 C ATOM 1113 CD ARG A 75 15.509 -2.068 -2.957 1.00 1.93 C ATOM 1114 NE ARG A 75 16.860 -1.514 -2.917 1.00 2.51 N ATOM 1115 CZ ARG A 75 17.881 -2.005 -3.616 1.00 2.97 C ATOM 1116 NH1 ARG A 75 17.709 -3.059 -4.402 1.00 3.08 N ATOM 1117 NH2 ARG A 75 19.079 -1.444 -3.524 1.00 3.82 N ATOM 0 H ARG A 75 12.838 -2.197 0.202 1.00 0.44 H new ATOM 0 HA ARG A 75 14.690 -0.423 1.295 1.00 0.46 H new ATOM 0 HB2 ARG A 75 16.041 -0.913 -0.564 1.00 0.59 H new ATOM 0 HB3 ARG A 75 15.103 -2.365 -0.277 1.00 0.59 H new ATOM 0 HG2 ARG A 75 13.561 -1.745 -2.113 1.00 1.17 H new ATOM 0 HG3 ARG A 75 14.473 -0.274 -2.391 1.00 1.17 H new ATOM 0 HD2 ARG A 75 15.537 -3.115 -2.656 1.00 1.93 H new ATOM 0 HD3 ARG A 75 15.135 -2.040 -3.981 1.00 1.93 H new ATOM 0 HE ARG A 75 17.031 -0.705 -2.320 1.00 2.51 H new ATOM 0 HH11 ARG A 75 16.791 -3.498 -4.473 1.00 3.08 H new ATOM 0 HH12 ARG A 75 18.495 -3.431 -4.935 1.00 3.08 H new ATOM 0 HH21 ARG A 75 19.219 -0.636 -2.917 1.00 3.82 H new ATOM 0 HH22 ARG A 75 19.861 -1.821 -4.060 1.00 3.82 H new ATOM 1131 N ILE A 76 12.619 0.917 -0.827 1.00 0.43 N ATOM 1132 CA ILE A 76 12.181 2.185 -1.399 1.00 0.48 C ATOM 1133 C ILE A 76 12.085 3.240 -0.306 1.00 0.49 C ATOM 1134 O ILE A 76 12.419 4.404 -0.519 1.00 0.60 O ATOM 1135 CB ILE A 76 10.814 2.070 -2.115 1.00 0.53 C ATOM 1136 CG1 ILE A 76 10.933 1.223 -3.390 1.00 0.62 C ATOM 1137 CG2 ILE A 76 10.281 3.455 -2.456 1.00 0.64 C ATOM 1138 CD1 ILE A 76 11.325 -0.219 -3.148 1.00 1.42 C ATOM 0 H ILE A 76 11.959 0.148 -0.942 1.00 0.43 H new ATOM 0 HA ILE A 76 12.924 2.473 -2.143 1.00 0.48 H new ATOM 0 HB ILE A 76 10.116 1.576 -1.439 1.00 0.53 H new ATOM 0 HG12 ILE A 76 9.979 1.244 -3.916 1.00 0.62 H new ATOM 0 HG13 ILE A 76 11.670 1.682 -4.049 1.00 0.62 H new ATOM 0 HG21 ILE A 76 9.319 3.361 -2.959 1.00 0.64 H new ATOM 0 HG22 ILE A 76 10.156 4.033 -1.540 1.00 0.64 H new ATOM 0 HG23 ILE A 76 10.986 3.965 -3.113 1.00 0.64 H new ATOM 0 HD11 ILE A 76 11.386 -0.744 -4.101 1.00 1.42 H new ATOM 0 HD12 ILE A 76 12.295 -0.254 -2.652 1.00 1.42 H new ATOM 0 HD13 ILE A 76 10.577 -0.698 -2.517 1.00 1.42 H new ATOM 1150 N GLU A 77 11.631 2.816 0.868 1.00 0.45 N ATOM 1151 CA GLU A 77 11.500 3.717 2.003 1.00 0.52 C ATOM 1152 C GLU A 77 12.873 4.265 2.382 1.00 0.52 C ATOM 1153 O GLU A 77 12.992 5.363 2.925 1.00 0.71 O ATOM 1154 CB GLU A 77 10.872 2.983 3.192 1.00 0.59 C ATOM 1155 CG GLU A 77 10.174 3.898 4.185 1.00 0.95 C ATOM 1156 CD GLU A 77 9.624 3.146 5.382 1.00 1.15 C ATOM 1157 OE1 GLU A 77 9.836 1.918 5.461 1.00 1.52 O ATOM 1158 OE2 GLU A 77 8.977 3.784 6.241 1.00 1.59 O ATOM 0 H GLU A 77 11.348 1.854 1.057 1.00 0.45 H new ATOM 0 HA GLU A 77 10.849 4.547 1.729 1.00 0.52 H new ATOM 0 HB2 GLU A 77 10.153 2.255 2.817 1.00 0.59 H new ATOM 0 HB3 GLU A 77 11.650 2.424 3.713 1.00 0.59 H new ATOM 0 HG2 GLU A 77 10.876 4.658 4.529 1.00 0.95 H new ATOM 0 HG3 GLU A 77 9.360 4.420 3.683 1.00 0.95 H new ATOM 1165 N LEU A 78 13.907 3.485 2.070 1.00 0.47 N ATOM 1166 CA LEU A 78 15.284 3.875 2.352 1.00 0.56 C ATOM 1167 C LEU A 78 15.846 4.717 1.209 1.00 0.57 C ATOM 1168 O LEU A 78 16.413 5.787 1.434 1.00 0.66 O ATOM 1169 CB LEU A 78 16.157 2.633 2.558 1.00 0.63 C ATOM 1170 CG LEU A 78 15.730 1.717 3.709 1.00 0.71 C ATOM 1171 CD1 LEU A 78 16.604 0.474 3.747 1.00 0.83 C ATOM 1172 CD2 LEU A 78 15.799 2.458 5.037 1.00 0.84 C ATOM 0 H LEU A 78 13.814 2.575 1.619 1.00 0.47 H new ATOM 0 HA LEU A 78 15.291 4.470 3.265 1.00 0.56 H new ATOM 0 HB2 LEU A 78 16.159 2.053 1.635 1.00 0.63 H new ATOM 0 HB3 LEU A 78 17.183 2.955 2.734 1.00 0.63 H new ATOM 0 HG LEU A 78 14.698 1.410 3.541 1.00 0.71 H new ATOM 0 HD11 LEU A 78 16.289 -0.167 4.570 1.00 0.83 H new ATOM 0 HD12 LEU A 78 16.507 -0.068 2.806 1.00 0.83 H new ATOM 0 HD13 LEU A 78 17.644 0.765 3.892 1.00 0.83 H new ATOM 0 HD21 LEU A 78 15.492 1.791 5.842 1.00 0.84 H new ATOM 0 HD22 LEU A 78 16.821 2.794 5.214 1.00 0.84 H new ATOM 0 HD23 LEU A 78 15.134 3.321 5.007 1.00 0.84 H new ATOM 1184 N GLN A 79 15.688 4.221 -0.017 1.00 0.56 N ATOM 1185 CA GLN A 79 16.179 4.922 -1.200 1.00 0.63 C ATOM 1186 C GLN A 79 15.585 6.321 -1.300 1.00 0.66 C ATOM 1187 O GLN A 79 16.234 7.248 -1.787 1.00 0.84 O ATOM 1188 CB GLN A 79 15.842 4.141 -2.468 1.00 0.67 C ATOM 1189 CG GLN A 79 16.437 2.747 -2.502 1.00 0.93 C ATOM 1190 CD GLN A 79 16.325 2.110 -3.871 1.00 1.22 C ATOM 1191 OE1 GLN A 79 16.897 2.599 -4.845 1.00 1.95 O ATOM 1192 NE2 GLN A 79 15.582 1.017 -3.955 1.00 1.30 N ATOM 0 H GLN A 79 15.223 3.335 -0.216 1.00 0.56 H new ATOM 0 HA GLN A 79 17.261 5.006 -1.102 1.00 0.63 H new ATOM 0 HB2 GLN A 79 14.759 4.066 -2.561 1.00 0.67 H new ATOM 0 HB3 GLN A 79 16.198 4.700 -3.334 1.00 0.67 H new ATOM 0 HG2 GLN A 79 17.486 2.795 -2.210 1.00 0.93 H new ATOM 0 HG3 GLN A 79 15.930 2.120 -1.769 1.00 0.93 H new ATOM 0 HE21 GLN A 79 15.125 0.645 -3.122 1.00 1.30 H new ATOM 0 HE22 GLN A 79 15.466 0.547 -4.853 1.00 1.30 H new ATOM 1201 N GLN A 80 14.349 6.471 -0.836 1.00 0.54 N ATOM 1202 CA GLN A 80 13.673 7.757 -0.875 1.00 0.59 C ATOM 1203 C GLN A 80 14.093 8.596 0.320 1.00 0.68 C ATOM 1204 O GLN A 80 13.886 9.810 0.353 1.00 0.78 O ATOM 1205 CB GLN A 80 12.157 7.558 -0.882 1.00 0.54 C ATOM 1206 CG GLN A 80 11.372 8.816 -1.219 1.00 0.99 C ATOM 1207 CD GLN A 80 11.756 9.400 -2.566 1.00 0.98 C ATOM 1208 OE1 GLN A 80 12.855 9.928 -2.738 1.00 1.68 O ATOM 1209 NE2 GLN A 80 10.855 9.295 -3.536 1.00 0.74 N ATOM 0 H GLN A 80 13.797 5.716 -0.429 1.00 0.54 H new ATOM 0 HA GLN A 80 13.955 8.280 -1.789 1.00 0.59 H new ATOM 0 HB2 GLN A 80 11.906 6.781 -1.604 1.00 0.54 H new ATOM 0 HB3 GLN A 80 11.843 7.197 0.098 1.00 0.54 H new ATOM 0 HG2 GLN A 80 10.306 8.586 -1.217 1.00 0.99 H new ATOM 0 HG3 GLN A 80 11.539 9.563 -0.443 1.00 0.99 H new ATOM 0 HE21 GLN A 80 9.956 8.850 -3.351 1.00 0.74 H new ATOM 0 HE22 GLN A 80 11.062 9.659 -4.466 1.00 0.74 H new ATOM 1218 N GLY A 81 14.697 7.929 1.298 1.00 0.74 N ATOM 1219 CA GLY A 81 15.157 8.605 2.489 1.00 0.88 C ATOM 1220 C GLY A 81 14.032 8.940 3.440 1.00 0.89 C ATOM 1221 O GLY A 81 13.693 10.111 3.616 1.00 0.99 O ATOM 0 H GLY A 81 14.875 6.925 1.283 1.00 0.74 H new ATOM 0 HA2 GLY A 81 15.885 7.976 3.001 1.00 0.88 H new ATOM 0 HA3 GLY A 81 15.673 9.522 2.205 1.00 0.88 H new ATOM 1225 N ARG A 82 13.461 7.920 4.078 1.00 0.95 N ATOM 1226 CA ARG A 82 12.392 8.136 5.025 1.00 1.07 C ATOM 1227 C ARG A 82 12.901 8.999 6.168 1.00 1.09 C ATOM 1228 O ARG A 82 14.089 8.974 6.491 1.00 1.50 O ATOM 1229 CB ARG A 82 11.871 6.794 5.547 1.00 1.34 C ATOM 1230 CG ARG A 82 11.650 6.773 7.048 1.00 1.78 C ATOM 1231 CD ARG A 82 11.239 5.393 7.535 1.00 2.05 C ATOM 1232 NE ARG A 82 12.267 4.391 7.269 1.00 2.68 N ATOM 1233 CZ ARG A 82 12.167 3.114 7.633 1.00 3.14 C ATOM 1234 NH1 ARG A 82 11.085 2.682 8.266 1.00 3.20 N ATOM 1235 NH2 ARG A 82 13.150 2.267 7.358 1.00 3.90 N ATOM 0 H ARG A 82 13.726 6.943 3.951 1.00 0.95 H new ATOM 0 HA ARG A 82 11.566 8.651 4.534 1.00 1.07 H new ATOM 0 HB2 ARG A 82 10.932 6.558 5.046 1.00 1.34 H new ATOM 0 HB3 ARG A 82 12.580 6.010 5.281 1.00 1.34 H new ATOM 0 HG2 ARG A 82 12.564 7.081 7.555 1.00 1.78 H new ATOM 0 HG3 ARG A 82 10.880 7.497 7.313 1.00 1.78 H new ATOM 0 HD2 ARG A 82 11.038 5.431 8.606 1.00 2.05 H new ATOM 0 HD3 ARG A 82 10.310 5.098 7.047 1.00 2.05 H new ATOM 0 HE ARG A 82 13.110 4.686 6.776 1.00 2.68 H new ATOM 0 HH11 ARG A 82 10.325 3.329 8.476 1.00 3.20 H new ATOM 0 HH12 ARG A 82 11.013 1.703 8.543 1.00 3.20 H new ATOM 0 HH21 ARG A 82 13.983 2.594 6.868 1.00 3.90 H new ATOM 0 HH22 ARG A 82 13.073 1.289 7.637 1.00 3.90 H new ATOM 1249 N VAL A 83 12.009 9.764 6.772 1.00 1.01 N ATOM 1250 CA VAL A 83 12.393 10.629 7.870 1.00 1.24 C ATOM 1251 C VAL A 83 11.710 10.193 9.158 1.00 1.17 C ATOM 1252 O VAL A 83 10.587 9.686 9.132 1.00 1.65 O ATOM 1253 CB VAL A 83 12.059 12.098 7.554 1.00 1.94 C ATOM 1254 CG1 VAL A 83 12.643 13.024 8.611 1.00 2.77 C ATOM 1255 CG2 VAL A 83 12.575 12.464 6.167 1.00 2.45 C ATOM 0 H VAL A 83 11.021 9.803 6.522 1.00 1.01 H new ATOM 0 HA VAL A 83 13.471 10.547 8.005 1.00 1.24 H new ATOM 0 HB VAL A 83 10.976 12.220 7.565 1.00 1.94 H new ATOM 0 HG11 VAL A 83 12.395 14.057 8.367 1.00 2.77 H new ATOM 0 HG12 VAL A 83 12.227 12.771 9.586 1.00 2.77 H new ATOM 0 HG13 VAL A 83 13.726 12.908 8.638 1.00 2.77 H new ATOM 0 HG21 VAL A 83 12.334 13.505 5.952 1.00 2.45 H new ATOM 0 HG22 VAL A 83 13.656 12.327 6.133 1.00 2.45 H new ATOM 0 HG23 VAL A 83 12.105 11.822 5.423 1.00 2.45 H new ATOM 1265 N ARG A 84 12.413 10.375 10.276 1.00 1.26 N ATOM 1266 CA ARG A 84 11.921 9.992 11.603 1.00 1.64 C ATOM 1267 C ARG A 84 12.123 8.499 11.832 1.00 1.64 C ATOM 1268 O ARG A 84 12.559 8.080 12.905 1.00 2.28 O ATOM 1269 CB ARG A 84 10.440 10.362 11.793 1.00 2.64 C ATOM 1270 CG ARG A 84 10.089 11.772 11.329 1.00 3.46 C ATOM 1271 CD ARG A 84 11.217 12.750 11.609 1.00 4.08 C ATOM 1272 NE ARG A 84 10.876 14.114 11.216 1.00 4.79 N ATOM 1273 CZ ARG A 84 11.720 15.139 11.300 1.00 5.36 C ATOM 1274 NH1 ARG A 84 12.953 14.954 11.756 1.00 5.36 N ATOM 1275 NH2 ARG A 84 11.334 16.351 10.924 1.00 6.26 N ATOM 0 H ARG A 84 13.343 10.794 10.289 1.00 1.26 H new ATOM 0 HA ARG A 84 12.498 10.550 12.340 1.00 1.64 H new ATOM 0 HB2 ARG A 84 9.824 9.647 11.247 1.00 2.64 H new ATOM 0 HB3 ARG A 84 10.184 10.263 12.848 1.00 2.64 H new ATOM 0 HG2 ARG A 84 9.873 11.761 10.261 1.00 3.46 H new ATOM 0 HG3 ARG A 84 9.183 12.107 11.834 1.00 3.46 H new ATOM 0 HD2 ARG A 84 11.458 12.730 12.672 1.00 4.08 H new ATOM 0 HD3 ARG A 84 12.112 12.433 11.074 1.00 4.08 H new ATOM 0 HE ARG A 84 9.938 14.291 10.857 1.00 4.79 H new ATOM 0 HH11 ARG A 84 13.256 14.023 12.043 1.00 5.36 H new ATOM 0 HH12 ARG A 84 13.597 15.742 11.819 1.00 5.36 H new ATOM 0 HH21 ARG A 84 10.389 16.498 10.570 1.00 6.26 H new ATOM 0 HH22 ARG A 84 11.982 17.136 10.989 1.00 6.26 H new ATOM 1289 N LYS A 85 11.818 7.703 10.811 1.00 1.79 N ATOM 1290 CA LYS A 85 11.979 6.254 10.881 1.00 2.53 C ATOM 1291 C LYS A 85 11.179 5.647 12.030 1.00 2.61 C ATOM 1292 O LYS A 85 11.336 4.466 12.343 1.00 3.08 O ATOM 1293 CB LYS A 85 13.456 5.895 11.040 1.00 3.13 C ATOM 1294 CG LYS A 85 14.327 6.354 9.881 1.00 3.58 C ATOM 1295 CD LYS A 85 15.791 6.025 10.123 1.00 4.39 C ATOM 1296 CE LYS A 85 16.661 6.437 8.946 1.00 5.02 C ATOM 1297 NZ LYS A 85 16.272 5.733 7.694 1.00 5.50 N ATOM 0 H LYS A 85 11.455 8.040 9.919 1.00 1.79 H new ATOM 0 HA LYS A 85 11.596 5.839 9.949 1.00 2.53 H new ATOM 0 HB2 LYS A 85 13.831 6.339 11.962 1.00 3.13 H new ATOM 0 HB3 LYS A 85 13.548 4.814 11.146 1.00 3.13 H new ATOM 0 HG2 LYS A 85 13.992 5.875 8.961 1.00 3.58 H new ATOM 0 HG3 LYS A 85 14.212 7.429 9.741 1.00 3.58 H new ATOM 0 HD2 LYS A 85 16.134 6.533 11.025 1.00 4.39 H new ATOM 0 HD3 LYS A 85 15.899 4.955 10.299 1.00 4.39 H new ATOM 0 HE2 LYS A 85 16.583 7.514 8.796 1.00 5.02 H new ATOM 0 HE3 LYS A 85 17.705 6.222 9.174 1.00 5.02 H new ATOM 0 HZ1 LYS A 85 17.028 5.839 6.987 1.00 5.50 H new ATOM 0 HZ2 LYS A 85 16.125 4.723 7.895 1.00 5.50 H new ATOM 0 HZ3 LYS A 85 15.392 6.144 7.324 1.00 5.50 H new ATOM 1311 N ALA A 86 10.326 6.448 12.659 1.00 2.48 N ATOM 1312 CA ALA A 86 9.518 5.957 13.768 1.00 2.58 C ATOM 1313 C ALA A 86 8.029 6.121 13.490 1.00 2.00 C ATOM 1314 O ALA A 86 7.517 7.238 13.416 1.00 1.95 O ATOM 1315 CB ALA A 86 9.898 6.677 15.054 1.00 3.19 C ATOM 0 H ALA A 86 10.177 7.429 12.423 1.00 2.48 H new ATOM 0 HA ALA A 86 9.719 4.892 13.882 1.00 2.58 H new ATOM 0 HB1 ALA A 86 9.288 6.302 15.875 1.00 3.19 H new ATOM 0 HB2 ALA A 86 10.951 6.499 15.273 1.00 3.19 H new ATOM 0 HB3 ALA A 86 9.728 7.747 14.936 1.00 3.19 H new ATOM 1321 N GLU A 87 7.344 4.993 13.354 1.00 2.01 N ATOM 1322 CA GLU A 87 5.909 4.987 13.100 1.00 1.67 C ATOM 1323 C GLU A 87 5.191 4.163 14.163 1.00 1.90 C ATOM 1324 O GLU A 87 5.475 2.978 14.332 1.00 2.39 O ATOM 1325 CB GLU A 87 5.604 4.424 11.708 1.00 2.04 C ATOM 1326 CG GLU A 87 6.081 2.995 11.493 1.00 2.47 C ATOM 1327 CD GLU A 87 7.585 2.883 11.332 1.00 3.23 C ATOM 1328 OE1 GLU A 87 8.254 3.932 11.231 1.00 3.80 O ATOM 1329 OE2 GLU A 87 8.093 1.742 11.289 1.00 3.66 O ATOM 0 H GLU A 87 7.762 4.065 13.416 1.00 2.01 H new ATOM 0 HA GLU A 87 5.551 6.016 13.142 1.00 1.67 H new ATOM 0 HB2 GLU A 87 4.528 4.465 11.540 1.00 2.04 H new ATOM 0 HB3 GLU A 87 6.068 5.066 10.959 1.00 2.04 H new ATOM 0 HG2 GLU A 87 5.766 2.383 12.338 1.00 2.47 H new ATOM 0 HG3 GLU A 87 5.596 2.587 10.606 1.00 2.47 H new ATOM 1336 N ARG A 88 4.265 4.783 14.885 1.00 1.97 N ATOM 1337 CA ARG A 88 3.533 4.070 15.919 1.00 2.47 C ATOM 1338 C ARG A 88 2.155 3.654 15.418 1.00 2.28 C ATOM 1339 O ARG A 88 1.830 2.468 15.382 1.00 2.54 O ATOM 1340 CB ARG A 88 3.396 4.950 17.159 1.00 2.97 C ATOM 1341 CG ARG A 88 2.662 4.280 18.307 1.00 3.30 C ATOM 1342 CD ARG A 88 2.581 5.196 19.518 1.00 3.95 C ATOM 1343 NE ARG A 88 1.878 6.439 19.218 1.00 4.47 N ATOM 1344 CZ ARG A 88 1.710 7.425 20.097 1.00 5.01 C ATOM 1345 NH1 ARG A 88 2.202 7.316 21.323 1.00 5.17 N ATOM 1346 NH2 ARG A 88 1.053 8.521 19.746 1.00 5.74 N ATOM 0 H ARG A 88 4.007 5.764 14.775 1.00 1.97 H new ATOM 0 HA ARG A 88 4.089 3.169 16.177 1.00 2.47 H new ATOM 0 HB2 ARG A 88 4.390 5.243 17.497 1.00 2.97 H new ATOM 0 HB3 ARG A 88 2.869 5.865 16.888 1.00 2.97 H new ATOM 0 HG2 ARG A 88 1.657 4.005 17.988 1.00 3.30 H new ATOM 0 HG3 ARG A 88 3.174 3.357 18.580 1.00 3.30 H new ATOM 0 HD2 ARG A 88 2.071 4.678 20.330 1.00 3.95 H new ATOM 0 HD3 ARG A 88 3.588 5.424 19.868 1.00 3.95 H new ATOM 0 HE ARG A 88 1.493 6.560 18.281 1.00 4.47 H new ATOM 0 HH11 ARG A 88 2.711 6.475 21.595 1.00 5.17 H new ATOM 0 HH12 ARG A 88 2.072 8.073 21.994 1.00 5.17 H new ATOM 0 HH21 ARG A 88 0.676 8.609 18.802 1.00 5.74 H new ATOM 0 HH22 ARG A 88 0.924 9.276 20.419 1.00 5.74 H new ATOM 1360 N TRP A 89 1.355 4.635 15.025 1.00 1.98 N ATOM 1361 CA TRP A 89 0.017 4.363 14.519 1.00 1.91 C ATOM 1362 C TRP A 89 -0.187 4.962 13.128 1.00 1.60 C ATOM 1363 O TRP A 89 -1.289 4.907 12.581 1.00 1.71 O ATOM 1364 CB TRP A 89 -1.032 4.911 15.493 1.00 2.11 C ATOM 1365 CG TRP A 89 -2.428 4.444 15.202 1.00 2.00 C ATOM 1366 CD1 TRP A 89 -2.810 3.185 14.832 1.00 2.28 C ATOM 1367 CD2 TRP A 89 -3.627 5.226 15.261 1.00 2.29 C ATOM 1368 NE1 TRP A 89 -4.172 3.138 14.653 1.00 2.69 N ATOM 1369 CE2 TRP A 89 -4.696 4.379 14.912 1.00 2.74 C ATOM 1370 CE3 TRP A 89 -3.900 6.560 15.574 1.00 2.65 C ATOM 1371 CZ2 TRP A 89 -6.014 4.824 14.866 1.00 3.44 C ATOM 1372 CZ3 TRP A 89 -5.210 7.000 15.530 1.00 3.33 C ATOM 1373 CH2 TRP A 89 -6.253 6.135 15.178 1.00 3.70 C ATOM 0 H TRP A 89 1.608 5.623 15.046 1.00 1.98 H new ATOM 0 HA TRP A 89 -0.100 3.283 14.435 1.00 1.91 H new ATOM 0 HB2 TRP A 89 -0.763 4.615 16.507 1.00 2.11 H new ATOM 0 HB3 TRP A 89 -1.009 6.000 15.463 1.00 2.11 H new ATOM 0 HD1 TRP A 89 -2.139 2.349 14.700 1.00 2.28 H new ATOM 0 HE1 TRP A 89 -4.706 2.315 14.373 1.00 2.69 H new ATOM 0 HE3 TRP A 89 -3.102 7.235 15.845 1.00 2.65 H new ATOM 0 HZ2 TRP A 89 -6.820 4.158 14.594 1.00 3.44 H new ATOM 0 HZ3 TRP A 89 -5.433 8.029 15.771 1.00 3.33 H new ATOM 0 HH2 TRP A 89 -7.266 6.509 15.152 1.00 3.70 H new ATOM 1384 N GLY A 90 0.861 5.560 12.561 1.00 1.35 N ATOM 1385 CA GLY A 90 0.718 6.180 11.254 1.00 1.15 C ATOM 1386 C GLY A 90 2.015 6.384 10.496 1.00 1.08 C ATOM 1387 O GLY A 90 3.093 6.045 10.985 1.00 1.29 O ATOM 0 H GLY A 90 1.791 5.626 12.975 1.00 1.35 H new ATOM 0 HA2 GLY A 90 0.053 5.565 10.648 1.00 1.15 H new ATOM 0 HA3 GLY A 90 0.232 7.147 11.379 1.00 1.15 H new ATOM 1391 N PRO A 91 1.918 6.941 9.270 1.00 0.96 N ATOM 1392 CA PRO A 91 3.071 7.205 8.393 1.00 1.07 C ATOM 1393 C PRO A 91 4.095 8.164 9.018 1.00 1.17 C ATOM 1394 O PRO A 91 4.336 8.106 10.222 1.00 1.60 O ATOM 1395 CB PRO A 91 2.433 7.817 7.133 1.00 1.09 C ATOM 1396 CG PRO A 91 1.008 7.402 7.181 1.00 1.09 C ATOM 1397 CD PRO A 91 0.652 7.346 8.633 1.00 0.91 C ATOM 0 HA PRO A 91 3.642 6.298 8.195 1.00 1.07 H new ATOM 0 HB2 PRO A 91 2.528 8.903 7.131 1.00 1.09 H new ATOM 0 HB3 PRO A 91 2.919 7.453 6.228 1.00 1.09 H new ATOM 0 HG2 PRO A 91 0.375 8.113 6.650 1.00 1.09 H new ATOM 0 HG3 PRO A 91 0.866 6.432 6.705 1.00 1.09 H new ATOM 0 HD2 PRO A 91 0.306 8.312 9.001 1.00 0.91 H new ATOM 0 HD3 PRO A 91 -0.145 6.627 8.826 1.00 0.91 H new ATOM 1405 N ARG A 92 4.670 9.051 8.181 1.00 0.93 N ATOM 1406 CA ARG A 92 5.671 10.053 8.607 1.00 1.03 C ATOM 1407 C ARG A 92 6.609 10.502 7.471 1.00 1.13 C ATOM 1408 O ARG A 92 7.479 11.337 7.701 1.00 1.95 O ATOM 1409 CB ARG A 92 6.513 9.556 9.801 1.00 1.21 C ATOM 1410 CG ARG A 92 7.688 8.667 9.436 1.00 1.04 C ATOM 1411 CD ARG A 92 7.301 7.567 8.468 1.00 1.71 C ATOM 1412 NE ARG A 92 6.315 6.642 9.010 1.00 2.57 N ATOM 1413 CZ ARG A 92 5.946 5.525 8.388 1.00 3.53 C ATOM 1414 NH1 ARG A 92 6.554 5.160 7.267 1.00 3.96 N ATOM 1415 NH2 ARG A 92 4.981 4.766 8.887 1.00 4.39 N ATOM 0 H ARG A 92 4.453 9.093 7.185 1.00 0.93 H new ATOM 0 HA ARG A 92 5.086 10.920 8.915 1.00 1.03 H new ATOM 0 HB2 ARG A 92 6.888 10.422 10.346 1.00 1.21 H new ATOM 0 HB3 ARG A 92 5.861 9.009 10.482 1.00 1.21 H new ATOM 0 HG2 ARG A 92 8.477 9.275 8.994 1.00 1.04 H new ATOM 0 HG3 ARG A 92 8.099 8.222 10.342 1.00 1.04 H new ATOM 0 HD2 ARG A 92 6.905 8.017 7.558 1.00 1.71 H new ATOM 0 HD3 ARG A 92 8.195 7.010 8.186 1.00 1.71 H new ATOM 0 HE ARG A 92 5.887 6.861 9.910 1.00 2.57 H new ATOM 0 HH11 ARG A 92 7.303 5.735 6.883 1.00 3.96 H new ATOM 0 HH12 ARG A 92 6.272 4.304 6.789 1.00 3.96 H new ATOM 0 HH21 ARG A 92 4.516 5.037 9.753 1.00 4.39 H new ATOM 0 HH22 ARG A 92 4.704 3.911 8.405 1.00 4.39 H new ATOM 1429 N THR A 93 6.432 9.957 6.258 1.00 0.94 N ATOM 1430 CA THR A 93 7.259 10.311 5.093 1.00 0.91 C ATOM 1431 C THR A 93 6.952 9.395 3.912 1.00 0.83 C ATOM 1432 O THR A 93 6.708 9.861 2.801 1.00 1.08 O ATOM 1433 CB THR A 93 8.754 10.226 5.409 1.00 1.02 C ATOM 1434 OG1 THR A 93 8.997 9.365 6.507 1.00 1.52 O ATOM 1435 CG2 THR A 93 9.382 11.569 5.711 1.00 1.47 C ATOM 0 H THR A 93 5.714 9.261 6.057 1.00 0.94 H new ATOM 0 HA THR A 93 7.013 11.341 4.836 1.00 0.91 H new ATOM 0 HB THR A 93 9.214 9.831 4.503 1.00 1.02 H new ATOM 0 HG1 THR A 93 9.290 8.490 6.178 1.00 1.52 H new ATOM 0 HG21 THR A 93 10.442 11.435 5.926 1.00 1.47 H new ATOM 0 HG22 THR A 93 9.267 12.227 4.849 1.00 1.47 H new ATOM 0 HG23 THR A 93 8.890 12.015 6.576 1.00 1.47 H new ATOM 1443 N LEU A 94 6.978 8.089 4.164 1.00 0.68 N ATOM 1444 CA LEU A 94 6.714 7.093 3.127 1.00 0.64 C ATOM 1445 C LEU A 94 6.659 5.697 3.733 1.00 0.56 C ATOM 1446 O LEU A 94 7.368 5.395 4.693 1.00 0.71 O ATOM 1447 CB LEU A 94 7.790 7.162 2.036 1.00 0.72 C ATOM 1448 CG LEU A 94 7.666 6.122 0.918 1.00 1.00 C ATOM 1449 CD1 LEU A 94 8.293 6.646 -0.365 1.00 1.44 C ATOM 1450 CD2 LEU A 94 8.333 4.817 1.327 1.00 1.87 C ATOM 0 H LEU A 94 7.180 7.693 5.082 1.00 0.68 H new ATOM 0 HA LEU A 94 5.747 7.311 2.674 1.00 0.64 H new ATOM 0 HB2 LEU A 94 7.765 8.155 1.588 1.00 0.72 H new ATOM 0 HB3 LEU A 94 8.767 7.049 2.506 1.00 0.72 H new ATOM 0 HG LEU A 94 6.607 5.934 0.742 1.00 1.00 H new ATOM 0 HD11 LEU A 94 8.197 5.896 -1.150 1.00 1.44 H new ATOM 0 HD12 LEU A 94 7.784 7.560 -0.672 1.00 1.44 H new ATOM 0 HD13 LEU A 94 9.348 6.859 -0.194 1.00 1.44 H new ATOM 0 HD21 LEU A 94 8.235 4.090 0.521 1.00 1.87 H new ATOM 0 HD22 LEU A 94 9.389 4.996 1.528 1.00 1.87 H new ATOM 0 HD23 LEU A 94 7.853 4.429 2.226 1.00 1.87 H new ATOM 1462 N ASP A 95 5.808 4.850 3.165 1.00 0.52 N ATOM 1463 CA ASP A 95 5.652 3.484 3.641 1.00 0.53 C ATOM 1464 C ASP A 95 4.823 2.655 2.669 1.00 0.46 C ATOM 1465 O ASP A 95 3.599 2.773 2.619 1.00 0.59 O ATOM 1466 CB ASP A 95 5.005 3.468 5.027 1.00 0.73 C ATOM 1467 CG ASP A 95 3.703 4.251 5.088 1.00 1.16 C ATOM 1468 OD1 ASP A 95 3.327 4.853 4.060 1.00 1.64 O ATOM 1469 OD2 ASP A 95 3.057 4.255 6.156 1.00 1.72 O ATOM 0 H ASP A 95 5.214 5.088 2.371 1.00 0.52 H new ATOM 0 HA ASP A 95 6.645 3.040 3.710 1.00 0.53 H new ATOM 0 HB2 ASP A 95 4.815 2.436 5.320 1.00 0.73 H new ATOM 0 HB3 ASP A 95 5.705 3.882 5.753 1.00 0.73 H new ATOM 1474 N LEU A 96 5.496 1.810 1.902 1.00 0.38 N ATOM 1475 CA LEU A 96 4.815 0.957 0.938 1.00 0.36 C ATOM 1476 C LEU A 96 4.907 -0.509 1.362 1.00 0.40 C ATOM 1477 O LEU A 96 5.950 -1.148 1.222 1.00 0.53 O ATOM 1478 CB LEU A 96 5.389 1.172 -0.473 1.00 0.43 C ATOM 1479 CG LEU A 96 6.852 0.765 -0.676 1.00 0.52 C ATOM 1480 CD1 LEU A 96 7.197 0.750 -2.158 1.00 0.97 C ATOM 1481 CD2 LEU A 96 7.779 1.711 0.068 1.00 0.89 C ATOM 0 H LEU A 96 6.509 1.696 1.928 1.00 0.38 H new ATOM 0 HA LEU A 96 3.760 1.230 0.912 1.00 0.36 H new ATOM 0 HB2 LEU A 96 4.776 0.614 -1.181 1.00 0.43 H new ATOM 0 HB3 LEU A 96 5.288 2.227 -0.727 1.00 0.43 H new ATOM 0 HG LEU A 96 6.987 -0.239 -0.274 1.00 0.52 H new ATOM 0 HD11 LEU A 96 8.240 0.459 -2.286 1.00 0.97 H new ATOM 0 HD12 LEU A 96 6.555 0.036 -2.674 1.00 0.97 H new ATOM 0 HD13 LEU A 96 7.044 1.744 -2.577 1.00 0.97 H new ATOM 0 HD21 LEU A 96 8.813 1.405 -0.089 1.00 0.89 H new ATOM 0 HD22 LEU A 96 7.640 2.725 -0.306 1.00 0.89 H new ATOM 0 HD23 LEU A 96 7.550 1.682 1.133 1.00 0.89 H new ATOM 1493 N ASP A 97 3.808 -1.032 1.910 1.00 0.38 N ATOM 1494 CA ASP A 97 3.767 -2.414 2.383 1.00 0.44 C ATOM 1495 C ASP A 97 2.720 -3.241 1.642 1.00 0.39 C ATOM 1496 O ASP A 97 1.744 -2.706 1.118 1.00 0.40 O ATOM 1497 CB ASP A 97 3.460 -2.450 3.884 1.00 0.55 C ATOM 1498 CG ASP A 97 2.172 -1.729 4.231 1.00 1.14 C ATOM 1499 OD1 ASP A 97 1.105 -2.145 3.730 1.00 1.93 O ATOM 1500 OD2 ASP A 97 2.227 -0.749 5.003 1.00 1.45 O ATOM 0 H ASP A 97 2.936 -0.518 2.036 1.00 0.38 H new ATOM 0 HA ASP A 97 4.748 -2.849 2.189 1.00 0.44 H new ATOM 0 HB2 ASP A 97 3.392 -3.487 4.213 1.00 0.55 H new ATOM 0 HB3 ASP A 97 4.286 -1.996 4.431 1.00 0.55 H new ATOM 1505 N ILE A 98 2.924 -4.558 1.628 1.00 0.39 N ATOM 1506 CA ILE A 98 1.994 -5.475 0.985 1.00 0.36 C ATOM 1507 C ILE A 98 0.718 -5.609 1.815 1.00 0.35 C ATOM 1508 O ILE A 98 0.769 -5.878 3.015 1.00 0.53 O ATOM 1509 CB ILE A 98 2.631 -6.872 0.760 1.00 0.36 C ATOM 1510 CG1 ILE A 98 3.505 -6.865 -0.497 1.00 0.48 C ATOM 1511 CG2 ILE A 98 1.563 -7.955 0.662 1.00 0.44 C ATOM 1512 CD1 ILE A 98 2.773 -6.423 -1.749 1.00 1.20 C ATOM 0 H ILE A 98 3.730 -5.012 2.058 1.00 0.39 H new ATOM 0 HA ILE A 98 1.745 -5.059 0.009 1.00 0.36 H new ATOM 0 HB ILE A 98 3.260 -7.098 1.621 1.00 0.36 H new ATOM 0 HG12 ILE A 98 4.356 -6.204 -0.333 1.00 0.48 H new ATOM 0 HG13 ILE A 98 3.905 -7.866 -0.656 1.00 0.48 H new ATOM 0 HG21 ILE A 98 2.039 -8.923 0.504 1.00 0.44 H new ATOM 0 HG22 ILE A 98 0.985 -7.981 1.586 1.00 0.44 H new ATOM 0 HG23 ILE A 98 0.899 -7.737 -0.175 1.00 0.44 H new ATOM 0 HD11 ILE A 98 3.457 -6.444 -2.597 1.00 1.20 H new ATOM 0 HD12 ILE A 98 1.938 -7.097 -1.940 1.00 1.20 H new ATOM 0 HD13 ILE A 98 2.396 -5.409 -1.612 1.00 1.20 H new ATOM 1524 N MET A 99 -0.421 -5.401 1.164 1.00 0.32 N ATOM 1525 CA MET A 99 -1.719 -5.477 1.828 1.00 0.36 C ATOM 1526 C MET A 99 -2.584 -6.563 1.202 1.00 0.33 C ATOM 1527 O MET A 99 -3.578 -6.994 1.781 1.00 0.37 O ATOM 1528 CB MET A 99 -2.425 -4.129 1.720 1.00 0.43 C ATOM 1529 CG MET A 99 -1.531 -2.948 2.051 1.00 0.68 C ATOM 1530 SD MET A 99 -2.396 -1.374 1.934 1.00 1.56 S ATOM 1531 CE MET A 99 -3.080 -1.481 0.283 1.00 2.37 C ATOM 0 H MET A 99 -0.472 -5.177 0.170 1.00 0.32 H new ATOM 0 HA MET A 99 -1.560 -5.726 2.877 1.00 0.36 H new ATOM 0 HB2 MET A 99 -2.810 -4.010 0.707 1.00 0.43 H new ATOM 0 HB3 MET A 99 -3.284 -4.123 2.391 1.00 0.43 H new ATOM 0 HG2 MET A 99 -1.136 -3.067 3.060 1.00 0.68 H new ATOM 0 HG3 MET A 99 -0.678 -2.941 1.373 1.00 0.68 H new ATOM 0 HE1 MET A 99 -3.508 -0.518 0.003 1.00 2.37 H new ATOM 0 HE2 MET A 99 -2.291 -1.746 -0.421 1.00 2.37 H new ATOM 0 HE3 MET A 99 -3.858 -2.244 0.260 1.00 2.37 H new ATOM 1541 N LEU A 100 -2.205 -6.996 0.011 1.00 0.30 N ATOM 1542 CA LEU A 100 -2.949 -8.027 -0.697 1.00 0.30 C ATOM 1543 C LEU A 100 -2.077 -8.675 -1.759 1.00 0.31 C ATOM 1544 O LEU A 100 -1.988 -8.198 -2.887 1.00 0.58 O ATOM 1545 CB LEU A 100 -4.216 -7.428 -1.320 1.00 0.30 C ATOM 1546 CG LEU A 100 -5.502 -7.667 -0.526 1.00 0.37 C ATOM 1547 CD1 LEU A 100 -6.693 -7.038 -1.230 1.00 0.40 C ATOM 1548 CD2 LEU A 100 -5.733 -9.158 -0.315 1.00 0.43 C ATOM 0 H LEU A 100 -1.385 -6.650 -0.487 1.00 0.30 H new ATOM 0 HA LEU A 100 -3.246 -8.799 0.013 1.00 0.30 H new ATOM 0 HB2 LEU A 100 -4.073 -6.354 -1.436 1.00 0.30 H new ATOM 0 HB3 LEU A 100 -4.342 -7.843 -2.320 1.00 0.30 H new ATOM 0 HG LEU A 100 -5.392 -7.194 0.450 1.00 0.37 H new ATOM 0 HD11 LEU A 100 -7.597 -7.220 -0.649 1.00 0.40 H new ATOM 0 HD12 LEU A 100 -6.533 -5.964 -1.326 1.00 0.40 H new ATOM 0 HD13 LEU A 100 -6.804 -7.478 -2.221 1.00 0.40 H new ATOM 0 HD21 LEU A 100 -6.652 -9.307 0.252 1.00 0.43 H new ATOM 0 HD22 LEU A 100 -5.818 -9.653 -1.282 1.00 0.43 H new ATOM 0 HD23 LEU A 100 -4.894 -9.582 0.237 1.00 0.43 H new ATOM 1560 N PHE A 101 -1.416 -9.759 -1.380 1.00 0.36 N ATOM 1561 CA PHE A 101 -0.531 -10.465 -2.290 1.00 0.36 C ATOM 1562 C PHE A 101 -1.034 -11.884 -2.548 1.00 0.38 C ATOM 1563 O PHE A 101 -0.694 -12.813 -1.816 1.00 0.88 O ATOM 1564 CB PHE A 101 0.881 -10.499 -1.706 1.00 0.46 C ATOM 1565 CG PHE A 101 1.937 -10.847 -2.711 1.00 0.70 C ATOM 1566 CD1 PHE A 101 2.203 -10.003 -3.771 1.00 1.13 C ATOM 1567 CD2 PHE A 101 2.665 -12.018 -2.586 1.00 1.10 C ATOM 1568 CE1 PHE A 101 3.183 -10.321 -4.696 1.00 1.59 C ATOM 1569 CE2 PHE A 101 3.647 -12.340 -3.505 1.00 1.59 C ATOM 1570 CZ PHE A 101 3.878 -11.492 -4.588 1.00 1.75 C ATOM 0 H PHE A 101 -1.477 -10.168 -0.447 1.00 0.36 H new ATOM 0 HA PHE A 101 -0.514 -9.937 -3.243 1.00 0.36 H new ATOM 0 HB2 PHE A 101 1.110 -9.525 -1.273 1.00 0.46 H new ATOM 0 HB3 PHE A 101 0.912 -11.224 -0.893 1.00 0.46 H new ATOM 0 HD1 PHE A 101 1.642 -9.087 -3.880 1.00 1.13 H new ATOM 0 HD2 PHE A 101 2.464 -12.687 -1.762 1.00 1.10 H new ATOM 0 HE1 PHE A 101 3.399 -9.640 -5.506 1.00 1.59 H new ATOM 0 HE2 PHE A 101 4.230 -13.241 -3.385 1.00 1.59 H new ATOM 0 HZ PHE A 101 4.605 -11.761 -5.340 1.00 1.75 H new ATOM 1580 N GLY A 102 -1.843 -12.042 -3.592 1.00 0.58 N ATOM 1581 CA GLY A 102 -2.380 -13.351 -3.934 1.00 0.60 C ATOM 1582 C GLY A 102 -3.177 -13.973 -2.802 1.00 0.73 C ATOM 1583 O GLY A 102 -3.675 -13.269 -1.925 1.00 1.49 O ATOM 0 H GLY A 102 -2.138 -11.286 -4.210 1.00 0.58 H new ATOM 0 HA2 GLY A 102 -3.017 -13.259 -4.813 1.00 0.60 H new ATOM 0 HA3 GLY A 102 -1.560 -14.016 -4.203 1.00 0.60 H new ATOM 1587 N ASN A 103 -3.297 -15.300 -2.824 1.00 0.56 N ATOM 1588 CA ASN A 103 -4.040 -16.018 -1.792 1.00 0.58 C ATOM 1589 C ASN A 103 -3.097 -16.661 -0.781 1.00 0.52 C ATOM 1590 O ASN A 103 -3.471 -17.605 -0.087 1.00 0.67 O ATOM 1591 CB ASN A 103 -4.948 -17.084 -2.418 1.00 0.76 C ATOM 1592 CG ASN A 103 -4.186 -18.167 -3.164 1.00 0.85 C ATOM 1593 OD1 ASN A 103 -4.785 -19.110 -3.679 1.00 1.55 O ATOM 1594 ND2 ASN A 103 -2.865 -18.041 -3.235 1.00 0.90 N ATOM 0 H ASN A 103 -2.890 -15.897 -3.544 1.00 0.56 H new ATOM 0 HA ASN A 103 -4.662 -15.292 -1.267 1.00 0.58 H new ATOM 0 HB2 ASN A 103 -5.546 -17.547 -1.633 1.00 0.76 H new ATOM 0 HB3 ASN A 103 -5.642 -16.600 -3.105 1.00 0.76 H new ATOM 0 HD21 ASN A 103 -2.312 -18.741 -3.730 1.00 0.90 H new ATOM 0 HD22 ASN A 103 -2.404 -17.244 -2.795 1.00 0.90 H new ATOM 1601 N GLU A 104 -1.876 -16.145 -0.687 1.00 0.43 N ATOM 1602 CA GLU A 104 -0.911 -16.679 0.264 1.00 0.42 C ATOM 1603 C GLU A 104 -1.071 -16.014 1.615 1.00 0.42 C ATOM 1604 O GLU A 104 -1.635 -14.925 1.726 1.00 0.58 O ATOM 1605 CB GLU A 104 0.528 -16.517 -0.219 1.00 0.51 C ATOM 1606 CG GLU A 104 0.808 -15.207 -0.935 1.00 0.56 C ATOM 1607 CD GLU A 104 0.615 -15.306 -2.436 1.00 1.57 C ATOM 1608 OE1 GLU A 104 -0.512 -15.625 -2.870 1.00 2.29 O ATOM 1609 OE2 GLU A 104 1.589 -15.067 -3.181 1.00 2.14 O ATOM 0 H GLU A 104 -1.535 -15.367 -1.251 1.00 0.43 H new ATOM 0 HA GLU A 104 -1.115 -17.746 0.354 1.00 0.42 H new ATOM 0 HB2 GLU A 104 1.197 -16.598 0.638 1.00 0.51 H new ATOM 0 HB3 GLU A 104 0.768 -17.342 -0.890 1.00 0.51 H new ATOM 0 HG2 GLU A 104 0.150 -14.434 -0.539 1.00 0.56 H new ATOM 0 HG3 GLU A 104 1.831 -14.894 -0.724 1.00 0.56 H new ATOM 1616 N VAL A 105 -0.575 -16.683 2.642 1.00 0.50 N ATOM 1617 CA VAL A 105 -0.663 -16.180 3.997 1.00 0.56 C ATOM 1618 C VAL A 105 0.583 -16.542 4.792 1.00 0.61 C ATOM 1619 O VAL A 105 0.649 -17.588 5.438 1.00 0.72 O ATOM 1620 CB VAL A 105 -1.921 -16.731 4.692 1.00 0.66 C ATOM 1621 CG1 VAL A 105 -1.881 -16.478 6.193 1.00 0.80 C ATOM 1622 CG2 VAL A 105 -3.168 -16.109 4.085 1.00 0.67 C ATOM 0 H VAL A 105 -0.104 -17.584 2.559 1.00 0.50 H new ATOM 0 HA VAL A 105 -0.735 -15.093 3.953 1.00 0.56 H new ATOM 0 HB VAL A 105 -1.948 -17.809 4.536 1.00 0.66 H new ATOM 0 HG11 VAL A 105 -2.784 -16.879 6.654 1.00 0.80 H new ATOM 0 HG12 VAL A 105 -1.006 -16.968 6.621 1.00 0.80 H new ATOM 0 HG13 VAL A 105 -1.824 -15.406 6.380 1.00 0.80 H new ATOM 0 HG21 VAL A 105 -4.052 -16.506 4.584 1.00 0.67 H new ATOM 0 HG22 VAL A 105 -3.134 -15.027 4.213 1.00 0.67 H new ATOM 0 HG23 VAL A 105 -3.213 -16.348 3.022 1.00 0.67 H new ATOM 1632 N ILE A 106 1.570 -15.661 4.732 1.00 0.58 N ATOM 1633 CA ILE A 106 2.822 -15.860 5.437 1.00 0.64 C ATOM 1634 C ILE A 106 3.417 -14.528 5.838 1.00 0.61 C ATOM 1635 O ILE A 106 4.007 -13.824 5.027 1.00 0.57 O ATOM 1636 CB ILE A 106 3.837 -16.658 4.593 1.00 0.74 C ATOM 1637 CG1 ILE A 106 3.499 -16.581 3.098 1.00 0.76 C ATOM 1638 CG2 ILE A 106 3.887 -18.106 5.053 1.00 1.31 C ATOM 1639 CD1 ILE A 106 3.605 -15.189 2.511 1.00 1.45 C ATOM 0 H ILE A 106 1.524 -14.794 4.196 1.00 0.58 H new ATOM 0 HA ILE A 106 2.603 -16.443 6.332 1.00 0.64 H new ATOM 0 HB ILE A 106 4.820 -16.210 4.738 1.00 0.74 H new ATOM 0 HG12 ILE A 106 4.167 -17.246 2.551 1.00 0.76 H new ATOM 0 HG13 ILE A 106 2.485 -16.952 2.946 1.00 0.76 H new ATOM 0 HG21 ILE A 106 4.608 -18.655 4.447 1.00 1.31 H new ATOM 0 HG22 ILE A 106 4.188 -18.145 6.100 1.00 1.31 H new ATOM 0 HG23 ILE A 106 2.901 -18.557 4.942 1.00 1.31 H new ATOM 0 HD11 ILE A 106 3.350 -15.221 1.452 1.00 1.45 H new ATOM 0 HD12 ILE A 106 2.917 -14.522 3.030 1.00 1.45 H new ATOM 0 HD13 ILE A 106 4.624 -14.821 2.628 1.00 1.45 H new ATOM 1651 N ASN A 107 3.250 -14.198 7.107 1.00 0.84 N ATOM 1652 CA ASN A 107 3.760 -12.955 7.646 1.00 0.90 C ATOM 1653 C ASN A 107 5.199 -13.146 8.076 1.00 0.91 C ATOM 1654 O ASN A 107 5.477 -13.811 9.074 1.00 1.02 O ATOM 1655 CB ASN A 107 2.903 -12.512 8.830 1.00 1.09 C ATOM 1656 CG ASN A 107 1.427 -12.756 8.585 1.00 1.00 C ATOM 1657 OD1 ASN A 107 0.949 -13.887 8.668 1.00 1.28 O ATOM 1658 ND2 ASN A 107 0.703 -11.700 8.244 1.00 1.21 N ATOM 0 H ASN A 107 2.761 -14.781 7.786 1.00 0.84 H new ATOM 0 HA ASN A 107 3.719 -12.180 6.880 1.00 0.90 H new ATOM 0 HB2 ASN A 107 3.216 -13.050 9.725 1.00 1.09 H new ATOM 0 HB3 ASN A 107 3.068 -11.452 9.021 1.00 1.09 H new ATOM 0 HD21 ASN A 107 -0.290 -11.807 8.038 1.00 1.21 H new ATOM 0 HD22 ASN A 107 1.139 -10.780 8.187 1.00 1.21 H new ATOM 1665 N THR A 108 6.112 -12.584 7.302 1.00 0.86 N ATOM 1666 CA THR A 108 7.530 -12.727 7.600 1.00 0.89 C ATOM 1667 C THR A 108 8.015 -11.628 8.541 1.00 0.91 C ATOM 1668 O THR A 108 7.224 -11.043 9.282 1.00 1.16 O ATOM 1669 CB THR A 108 8.339 -12.728 6.306 1.00 0.90 C ATOM 1670 OG1 THR A 108 7.496 -12.972 5.195 1.00 1.07 O ATOM 1671 CG2 THR A 108 9.413 -13.790 6.286 1.00 0.92 C ATOM 0 H THR A 108 5.902 -12.030 6.471 1.00 0.86 H new ATOM 0 HA THR A 108 7.677 -13.680 8.108 1.00 0.89 H new ATOM 0 HB THR A 108 8.805 -11.744 6.250 1.00 0.90 H new ATOM 0 HG1 THR A 108 7.189 -13.902 5.216 1.00 1.07 H new ATOM 0 HG21 THR A 108 9.955 -13.742 5.341 1.00 0.92 H new ATOM 0 HG22 THR A 108 10.106 -13.622 7.111 1.00 0.92 H new ATOM 0 HG23 THR A 108 8.954 -14.773 6.392 1.00 0.92 H new ATOM 1679 N GLU A 109 9.317 -11.355 8.510 1.00 0.83 N ATOM 1680 CA GLU A 109 9.903 -10.326 9.367 1.00 0.86 C ATOM 1681 C GLU A 109 9.284 -8.970 9.065 1.00 0.73 C ATOM 1682 O GLU A 109 8.295 -8.575 9.684 1.00 0.87 O ATOM 1683 CB GLU A 109 11.421 -10.272 9.180 1.00 0.95 C ATOM 1684 CG GLU A 109 12.124 -11.572 9.538 1.00 1.22 C ATOM 1685 CD GLU A 109 13.627 -11.498 9.351 1.00 1.93 C ATOM 1686 OE1 GLU A 109 14.123 -10.429 8.937 1.00 2.60 O ATOM 1687 OE2 GLU A 109 14.308 -12.509 9.618 1.00 2.37 O ATOM 0 H GLU A 109 9.985 -11.830 7.903 1.00 0.83 H new ATOM 0 HA GLU A 109 9.692 -10.581 10.406 1.00 0.86 H new ATOM 0 HB2 GLU A 109 11.642 -10.023 8.142 1.00 0.95 H new ATOM 0 HB3 GLU A 109 11.826 -9.468 9.795 1.00 0.95 H new ATOM 0 HG2 GLU A 109 11.904 -11.825 10.575 1.00 1.22 H new ATOM 0 HG3 GLU A 109 11.725 -12.377 8.921 1.00 1.22 H new ATOM 1694 N ARG A 110 9.851 -8.272 8.090 1.00 0.63 N ATOM 1695 CA ARG A 110 9.331 -6.978 7.685 1.00 0.64 C ATOM 1696 C ARG A 110 8.105 -7.191 6.826 1.00 0.66 C ATOM 1697 O ARG A 110 7.252 -6.312 6.694 1.00 0.77 O ATOM 1698 CB ARG A 110 10.383 -6.196 6.900 1.00 0.63 C ATOM 1699 CG ARG A 110 11.567 -5.755 7.741 1.00 0.86 C ATOM 1700 CD ARG A 110 12.650 -5.112 6.889 1.00 1.64 C ATOM 1701 NE ARG A 110 13.270 -6.069 5.975 1.00 2.22 N ATOM 1702 CZ ARG A 110 13.965 -7.131 6.376 1.00 2.77 C ATOM 1703 NH1 ARG A 110 14.137 -7.368 7.670 1.00 3.01 N ATOM 1704 NH2 ARG A 110 14.493 -7.957 5.482 1.00 3.68 N ATOM 0 H ARG A 110 10.670 -8.582 7.567 1.00 0.63 H new ATOM 0 HA ARG A 110 9.070 -6.403 8.573 1.00 0.64 H new ATOM 0 HB2 ARG A 110 10.743 -6.813 6.077 1.00 0.63 H new ATOM 0 HB3 ARG A 110 9.915 -5.317 6.458 1.00 0.63 H new ATOM 0 HG2 ARG A 110 11.232 -5.047 8.499 1.00 0.86 H new ATOM 0 HG3 ARG A 110 11.980 -6.615 8.268 1.00 0.86 H new ATOM 0 HD2 ARG A 110 12.220 -4.290 6.316 1.00 1.64 H new ATOM 0 HD3 ARG A 110 13.414 -4.683 7.537 1.00 1.64 H new ATOM 0 HE ARG A 110 13.164 -5.914 4.972 1.00 2.22 H new ATOM 0 HH11 ARG A 110 13.736 -6.735 8.362 1.00 3.01 H new ATOM 0 HH12 ARG A 110 14.670 -8.183 7.973 1.00 3.01 H new ATOM 0 HH21 ARG A 110 14.367 -7.779 4.486 1.00 3.68 H new ATOM 0 HH22 ARG A 110 15.025 -8.770 5.791 1.00 3.68 H new ATOM 1718 N LEU A 111 8.035 -8.378 6.243 1.00 0.62 N ATOM 1719 CA LEU A 111 6.926 -8.749 5.384 1.00 0.63 C ATOM 1720 C LEU A 111 5.684 -9.079 6.191 1.00 0.56 C ATOM 1721 O LEU A 111 5.746 -9.729 7.234 1.00 0.66 O ATOM 1722 CB LEU A 111 7.300 -9.954 4.508 1.00 0.73 C ATOM 1723 CG LEU A 111 6.176 -10.519 3.620 1.00 0.94 C ATOM 1724 CD1 LEU A 111 5.175 -11.332 4.419 1.00 1.15 C ATOM 1725 CD2 LEU A 111 5.462 -9.410 2.868 1.00 1.64 C ATOM 0 H LEU A 111 8.741 -9.106 6.352 1.00 0.62 H new ATOM 0 HA LEU A 111 6.708 -7.891 4.748 1.00 0.63 H new ATOM 0 HB2 LEU A 111 8.133 -9.667 3.866 1.00 0.73 H new ATOM 0 HB3 LEU A 111 7.659 -10.753 5.157 1.00 0.73 H new ATOM 0 HG LEU A 111 6.650 -11.185 2.899 1.00 0.94 H new ATOM 0 HD11 LEU A 111 4.400 -11.711 3.753 1.00 1.15 H new ATOM 0 HD12 LEU A 111 5.684 -12.169 4.896 1.00 1.15 H new ATOM 0 HD13 LEU A 111 4.720 -10.701 5.183 1.00 1.15 H new ATOM 0 HD21 LEU A 111 4.674 -9.839 2.249 1.00 1.64 H new ATOM 0 HD22 LEU A 111 5.024 -8.711 3.580 1.00 1.64 H new ATOM 0 HD23 LEU A 111 6.175 -8.883 2.234 1.00 1.64 H new ATOM 1737 N THR A 112 4.556 -8.665 5.649 1.00 0.46 N ATOM 1738 CA THR A 112 3.264 -8.931 6.229 1.00 0.42 C ATOM 1739 C THR A 112 2.289 -9.222 5.105 1.00 0.39 C ATOM 1740 O THR A 112 2.198 -8.453 4.149 1.00 0.43 O ATOM 1741 CB THR A 112 2.775 -7.744 7.056 1.00 0.45 C ATOM 1742 OG1 THR A 112 3.209 -6.520 6.488 1.00 0.65 O ATOM 1743 CG2 THR A 112 3.223 -7.778 8.501 1.00 0.68 C ATOM 0 H THR A 112 4.515 -8.128 4.783 1.00 0.46 H new ATOM 0 HA THR A 112 3.338 -9.788 6.899 1.00 0.42 H new ATOM 0 HB THR A 112 1.688 -7.819 7.041 1.00 0.45 H new ATOM 0 HG1 THR A 112 2.883 -5.773 7.032 1.00 0.65 H new ATOM 0 HG21 THR A 112 2.836 -6.902 9.023 1.00 0.68 H new ATOM 0 HG22 THR A 112 2.844 -8.682 8.978 1.00 0.68 H new ATOM 0 HG23 THR A 112 4.312 -7.774 8.544 1.00 0.68 H new ATOM 1751 N VAL A 113 1.554 -10.315 5.214 1.00 0.36 N ATOM 1752 CA VAL A 113 0.598 -10.649 4.181 1.00 0.38 C ATOM 1753 C VAL A 113 -0.673 -9.852 4.488 1.00 0.32 C ATOM 1754 O VAL A 113 -0.727 -9.243 5.556 1.00 0.30 O ATOM 1755 CB VAL A 113 0.344 -12.181 4.137 1.00 0.45 C ATOM 1756 CG1 VAL A 113 -1.039 -12.546 4.650 1.00 1.52 C ATOM 1757 CG2 VAL A 113 0.560 -12.720 2.730 1.00 1.18 C ATOM 0 H VAL A 113 1.600 -10.973 5.992 1.00 0.36 H new ATOM 0 HA VAL A 113 0.970 -10.387 3.191 1.00 0.38 H new ATOM 0 HB VAL A 113 1.067 -12.649 4.805 1.00 0.45 H new ATOM 0 HG11 VAL A 113 -1.172 -13.627 4.601 1.00 1.52 H new ATOM 0 HG12 VAL A 113 -1.143 -12.214 5.683 1.00 1.52 H new ATOM 0 HG13 VAL A 113 -1.796 -12.059 4.035 1.00 1.52 H new ATOM 0 HG21 VAL A 113 0.377 -13.795 2.720 1.00 1.18 H new ATOM 0 HG22 VAL A 113 -0.128 -12.228 2.042 1.00 1.18 H new ATOM 0 HG23 VAL A 113 1.586 -12.524 2.419 1.00 1.18 H new ATOM 1767 N PRO A 114 -1.704 -9.803 3.598 1.00 0.35 N ATOM 1768 CA PRO A 114 -2.925 -9.047 3.840 1.00 0.36 C ATOM 1769 C PRO A 114 -3.105 -8.694 5.314 1.00 0.33 C ATOM 1770 O PRO A 114 -3.581 -9.498 6.114 1.00 0.35 O ATOM 1771 CB PRO A 114 -3.974 -10.024 3.324 1.00 0.43 C ATOM 1772 CG PRO A 114 -3.297 -10.724 2.171 1.00 0.46 C ATOM 1773 CD PRO A 114 -1.802 -10.465 2.295 1.00 0.42 C ATOM 0 HA PRO A 114 -2.959 -8.071 3.356 1.00 0.36 H new ATOM 0 HB2 PRO A 114 -4.274 -10.731 4.098 1.00 0.43 H new ATOM 0 HB3 PRO A 114 -4.876 -9.505 3.000 1.00 0.43 H new ATOM 0 HG2 PRO A 114 -3.504 -11.794 2.196 1.00 0.46 H new ATOM 0 HG3 PRO A 114 -3.674 -10.349 1.220 1.00 0.46 H new ATOM 0 HD2 PRO A 114 -1.226 -11.390 2.265 1.00 0.42 H new ATOM 0 HD3 PRO A 114 -1.431 -9.832 1.489 1.00 0.42 H new ATOM 1781 N HIS A 115 -2.663 -7.484 5.658 1.00 0.33 N ATOM 1782 CA HIS A 115 -2.698 -6.987 7.021 1.00 0.33 C ATOM 1783 C HIS A 115 -4.117 -6.703 7.473 1.00 0.34 C ATOM 1784 O HIS A 115 -4.762 -5.793 6.959 1.00 0.46 O ATOM 1785 CB HIS A 115 -1.869 -5.700 7.098 1.00 0.39 C ATOM 1786 CG HIS A 115 -1.441 -5.319 8.479 1.00 0.44 C ATOM 1787 ND1 HIS A 115 -2.296 -5.293 9.560 1.00 0.97 N ATOM 1788 CD2 HIS A 115 -0.231 -4.921 8.948 1.00 0.76 C ATOM 1789 CE1 HIS A 115 -1.634 -4.899 10.633 1.00 0.87 C ATOM 1790 NE2 HIS A 115 -0.380 -4.669 10.289 1.00 0.67 N ATOM 0 H HIS A 115 -2.269 -6.822 4.989 1.00 0.33 H new ATOM 0 HA HIS A 115 -2.284 -7.750 7.680 1.00 0.33 H new ATOM 0 HB2 HIS A 115 -0.982 -5.817 6.476 1.00 0.39 H new ATOM 0 HB3 HIS A 115 -2.451 -4.882 6.673 1.00 0.39 H new ATOM 0 HD2 HIS A 115 0.678 -4.821 8.374 1.00 0.76 H new ATOM 0 HE1 HIS A 115 -2.048 -4.784 11.624 1.00 0.87 H new ATOM 0 HE2 HIS A 115 0.359 -4.355 10.918 1.00 0.67 H new ATOM 1799 N TYR A 116 -4.592 -7.466 8.457 1.00 0.34 N ATOM 1800 CA TYR A 116 -5.930 -7.250 8.986 1.00 0.42 C ATOM 1801 C TYR A 116 -6.054 -5.800 9.435 1.00 0.43 C ATOM 1802 O TYR A 116 -5.729 -5.454 10.571 1.00 0.49 O ATOM 1803 CB TYR A 116 -6.217 -8.211 10.150 1.00 0.52 C ATOM 1804 CG TYR A 116 -4.999 -8.597 10.976 1.00 0.70 C ATOM 1805 CD1 TYR A 116 -4.023 -7.665 11.324 1.00 1.13 C ATOM 1806 CD2 TYR A 116 -4.833 -9.907 11.412 1.00 0.89 C ATOM 1807 CE1 TYR A 116 -2.923 -8.030 12.077 1.00 1.64 C ATOM 1808 CE2 TYR A 116 -3.737 -10.277 12.166 1.00 1.31 C ATOM 1809 CZ TYR A 116 -2.784 -9.336 12.495 1.00 1.68 C ATOM 1810 OH TYR A 116 -1.691 -9.702 13.246 1.00 2.22 O ATOM 0 H TYR A 116 -4.075 -8.228 8.896 1.00 0.34 H new ATOM 0 HA TYR A 116 -6.666 -7.451 8.208 1.00 0.42 H new ATOM 0 HB2 TYR A 116 -6.954 -7.751 10.809 1.00 0.52 H new ATOM 0 HB3 TYR A 116 -6.669 -9.118 9.750 1.00 0.52 H new ATOM 0 HD1 TYR A 116 -4.128 -6.640 11.000 1.00 1.13 H new ATOM 0 HD2 TYR A 116 -5.575 -10.649 11.156 1.00 0.89 H new ATOM 0 HE1 TYR A 116 -2.176 -7.295 12.337 1.00 1.64 H new ATOM 0 HE2 TYR A 116 -3.627 -11.299 12.497 1.00 1.31 H new ATOM 0 HH TYR A 116 -1.746 -10.657 13.459 1.00 2.22 H new ATOM 1820 N ASP A 117 -6.489 -4.949 8.513 1.00 0.42 N ATOM 1821 CA ASP A 117 -6.605 -3.526 8.788 1.00 0.50 C ATOM 1822 C ASP A 117 -7.292 -2.810 7.630 1.00 0.52 C ATOM 1823 O ASP A 117 -8.202 -2.007 7.827 1.00 0.73 O ATOM 1824 CB ASP A 117 -5.203 -2.947 8.972 1.00 0.52 C ATOM 1825 CG ASP A 117 -5.214 -1.601 9.672 1.00 0.67 C ATOM 1826 OD1 ASP A 117 -6.314 -1.108 10.001 1.00 1.07 O ATOM 1827 OD2 ASP A 117 -4.119 -1.039 9.891 1.00 0.87 O ATOM 0 H ASP A 117 -6.766 -5.221 7.570 1.00 0.42 H new ATOM 0 HA ASP A 117 -7.201 -3.384 9.690 1.00 0.50 H new ATOM 0 HB2 ASP A 117 -4.598 -3.647 9.548 1.00 0.52 H new ATOM 0 HB3 ASP A 117 -4.727 -2.841 7.997 1.00 0.52 H new ATOM 1832 N MET A 118 -6.818 -3.106 6.424 1.00 0.38 N ATOM 1833 CA MET A 118 -7.336 -2.509 5.198 1.00 0.39 C ATOM 1834 C MET A 118 -8.855 -2.581 5.110 1.00 0.38 C ATOM 1835 O MET A 118 -9.504 -1.682 4.576 1.00 0.45 O ATOM 1836 CB MET A 118 -6.735 -3.248 4.010 1.00 0.44 C ATOM 1837 CG MET A 118 -7.141 -4.710 3.936 1.00 0.48 C ATOM 1838 SD MET A 118 -5.980 -5.700 2.985 1.00 1.29 S ATOM 1839 CE MET A 118 -4.525 -5.559 4.017 1.00 2.05 C ATOM 0 H MET A 118 -6.060 -3.770 6.269 1.00 0.38 H new ATOM 0 HA MET A 118 -7.059 -1.455 5.195 1.00 0.39 H new ATOM 0 HB2 MET A 118 -7.038 -2.748 3.090 1.00 0.44 H new ATOM 0 HB3 MET A 118 -5.648 -3.183 4.064 1.00 0.44 H new ATOM 0 HG2 MET A 118 -7.216 -5.114 4.945 1.00 0.48 H new ATOM 0 HG3 MET A 118 -8.131 -4.786 3.487 1.00 0.48 H new ATOM 0 HE1 MET A 118 -3.642 -5.832 3.440 1.00 2.05 H new ATOM 0 HE2 MET A 118 -4.426 -4.532 4.368 1.00 2.05 H new ATOM 0 HE3 MET A 118 -4.620 -6.227 4.873 1.00 2.05 H new ATOM 1849 N LYS A 119 -9.403 -3.666 5.620 1.00 0.40 N ATOM 1850 CA LYS A 119 -10.843 -3.902 5.594 1.00 0.47 C ATOM 1851 C LYS A 119 -11.568 -3.058 6.634 1.00 0.50 C ATOM 1852 O LYS A 119 -12.752 -3.255 6.900 1.00 0.80 O ATOM 1853 CB LYS A 119 -11.112 -5.387 5.808 1.00 0.57 C ATOM 1854 CG LYS A 119 -10.225 -6.003 6.873 1.00 0.69 C ATOM 1855 CD LYS A 119 -10.444 -7.505 6.994 1.00 0.80 C ATOM 1856 CE LYS A 119 -10.070 -8.238 5.713 1.00 1.02 C ATOM 1857 NZ LYS A 119 -8.642 -8.022 5.345 1.00 1.93 N ATOM 0 H LYS A 119 -8.868 -4.412 6.065 1.00 0.40 H new ATOM 0 HA LYS A 119 -11.230 -3.603 4.620 1.00 0.47 H new ATOM 0 HB2 LYS A 119 -12.156 -5.525 6.089 1.00 0.57 H new ATOM 0 HB3 LYS A 119 -10.962 -5.917 4.867 1.00 0.57 H new ATOM 0 HG2 LYS A 119 -9.180 -5.806 6.634 1.00 0.69 H new ATOM 0 HG3 LYS A 119 -10.427 -5.528 7.833 1.00 0.69 H new ATOM 0 HD2 LYS A 119 -9.850 -7.893 7.821 1.00 0.80 H new ATOM 0 HD3 LYS A 119 -11.489 -7.701 7.233 1.00 0.80 H new ATOM 0 HE2 LYS A 119 -10.255 -9.305 5.838 1.00 1.02 H new ATOM 0 HE3 LYS A 119 -10.710 -7.897 4.899 1.00 1.02 H new ATOM 0 HZ1 LYS A 119 -8.368 -8.700 4.606 1.00 1.93 H new ATOM 0 HZ2 LYS A 119 -8.518 -7.053 4.989 1.00 1.93 H new ATOM 0 HZ3 LYS A 119 -8.043 -8.162 6.183 1.00 1.93 H new ATOM 1871 N ASN A 120 -10.843 -2.105 7.201 1.00 0.49 N ATOM 1872 CA ASN A 120 -11.389 -1.199 8.196 1.00 0.52 C ATOM 1873 C ASN A 120 -10.919 0.211 7.874 1.00 0.56 C ATOM 1874 O ASN A 120 -10.950 1.107 8.718 1.00 0.74 O ATOM 1875 CB ASN A 120 -10.917 -1.596 9.595 1.00 0.53 C ATOM 1876 CG ASN A 120 -11.045 -3.082 9.851 1.00 1.17 C ATOM 1877 OD1 ASN A 120 -12.127 -3.658 9.739 1.00 2.11 O ATOM 1878 ND2 ASN A 120 -9.932 -3.704 10.210 1.00 1.30 N ATOM 0 H ASN A 120 -9.860 -1.939 6.983 1.00 0.49 H new ATOM 0 HA ASN A 120 -12.478 -1.247 8.176 1.00 0.52 H new ATOM 0 HB2 ASN A 120 -9.876 -1.297 9.722 1.00 0.53 H new ATOM 0 HB3 ASN A 120 -11.498 -1.051 10.339 1.00 0.53 H new ATOM 0 HD21 ASN A 120 -9.948 -4.705 10.407 1.00 1.30 H new ATOM 0 HD22 ASN A 120 -9.059 -3.182 10.289 1.00 1.30 H new ATOM 1885 N ARG A 121 -10.457 0.382 6.637 1.00 0.49 N ATOM 1886 CA ARG A 121 -9.935 1.657 6.167 1.00 0.58 C ATOM 1887 C ARG A 121 -10.176 1.809 4.668 1.00 0.63 C ATOM 1888 O ARG A 121 -10.232 0.820 3.939 1.00 1.07 O ATOM 1889 CB ARG A 121 -8.428 1.730 6.429 1.00 0.64 C ATOM 1890 CG ARG A 121 -8.021 1.431 7.865 1.00 0.91 C ATOM 1891 CD ARG A 121 -8.316 2.601 8.789 1.00 1.24 C ATOM 1892 NE ARG A 121 -7.688 2.444 10.101 1.00 1.84 N ATOM 1893 CZ ARG A 121 -7.958 1.450 10.944 1.00 2.55 C ATOM 1894 NH1 ARG A 121 -8.856 0.527 10.629 1.00 2.86 N ATOM 1895 NH2 ARG A 121 -7.330 1.383 12.110 1.00 3.50 N ATOM 0 H ARG A 121 -10.435 -0.359 5.936 1.00 0.49 H new ATOM 0 HA ARG A 121 -10.448 2.456 6.703 1.00 0.58 H new ATOM 0 HB2 ARG A 121 -7.923 1.026 5.768 1.00 0.64 H new ATOM 0 HB3 ARG A 121 -8.074 2.726 6.164 1.00 0.64 H new ATOM 0 HG2 ARG A 121 -8.552 0.547 8.217 1.00 0.91 H new ATOM 0 HG3 ARG A 121 -6.957 1.199 7.901 1.00 0.91 H new ATOM 0 HD2 ARG A 121 -7.963 3.523 8.328 1.00 1.24 H new ATOM 0 HD3 ARG A 121 -9.394 2.699 8.914 1.00 1.24 H new ATOM 0 HE ARG A 121 -7.000 3.140 10.388 1.00 1.84 H new ATOM 0 HH11 ARG A 121 -9.345 0.576 9.735 1.00 2.86 H new ATOM 0 HH12 ARG A 121 -9.057 -0.232 11.280 1.00 2.86 H new ATOM 0 HH21 ARG A 121 -6.641 2.093 12.360 1.00 3.50 H new ATOM 0 HH22 ARG A 121 -7.536 0.622 12.757 1.00 3.50 H new ATOM 1909 N GLY A 122 -10.289 3.049 4.208 1.00 0.62 N ATOM 1910 CA GLY A 122 -10.488 3.295 2.794 1.00 0.61 C ATOM 1911 C GLY A 122 -9.172 3.525 2.091 1.00 0.56 C ATOM 1912 O GLY A 122 -9.110 3.567 0.866 1.00 0.70 O ATOM 0 H GLY A 122 -10.246 3.887 4.788 1.00 0.62 H new ATOM 0 HA2 GLY A 122 -11.001 2.446 2.343 1.00 0.61 H new ATOM 0 HA3 GLY A 122 -11.132 4.164 2.660 1.00 0.61 H new ATOM 1916 N PHE A 123 -8.113 3.650 2.882 1.00 0.52 N ATOM 1917 CA PHE A 123 -6.775 3.866 2.358 1.00 0.58 C ATOM 1918 C PHE A 123 -6.374 2.701 1.479 1.00 0.42 C ATOM 1919 O PHE A 123 -5.743 2.870 0.436 1.00 0.43 O ATOM 1920 CB PHE A 123 -5.796 4.036 3.529 1.00 0.84 C ATOM 1921 CG PHE A 123 -4.335 3.953 3.166 1.00 1.19 C ATOM 1922 CD1 PHE A 123 -3.876 4.548 2.001 1.00 2.11 C ATOM 1923 CD2 PHE A 123 -3.427 3.282 3.972 1.00 1.62 C ATOM 1924 CE1 PHE A 123 -2.544 4.481 1.647 1.00 3.16 C ATOM 1925 CE2 PHE A 123 -2.091 3.213 3.620 1.00 2.59 C ATOM 1926 CZ PHE A 123 -1.632 3.787 2.536 1.00 3.31 C ATOM 0 H PHE A 123 -8.160 3.604 3.900 1.00 0.52 H new ATOM 0 HA PHE A 123 -6.754 4.771 1.750 1.00 0.58 H new ATOM 0 HB2 PHE A 123 -5.982 5.002 3.999 1.00 0.84 H new ATOM 0 HB3 PHE A 123 -6.012 3.271 4.275 1.00 0.84 H new ATOM 0 HD1 PHE A 123 -4.571 5.072 1.361 1.00 2.11 H new ATOM 0 HD2 PHE A 123 -3.766 2.809 4.882 1.00 1.62 H new ATOM 0 HE1 PHE A 123 -2.190 4.933 0.732 1.00 3.16 H new ATOM 0 HE2 PHE A 123 -1.408 2.671 4.257 1.00 2.59 H new ATOM 0 HZ PHE A 123 -0.578 3.744 2.305 1.00 3.31 H new ATOM 1936 N MET A 124 -6.746 1.517 1.921 1.00 0.37 N ATOM 1937 CA MET A 124 -6.437 0.297 1.199 1.00 0.38 C ATOM 1938 C MET A 124 -7.540 -0.081 0.207 1.00 0.38 C ATOM 1939 O MET A 124 -7.306 -0.175 -0.993 1.00 0.57 O ATOM 1940 CB MET A 124 -6.212 -0.846 2.187 1.00 0.50 C ATOM 1941 CG MET A 124 -5.174 -0.542 3.259 1.00 0.90 C ATOM 1942 SD MET A 124 -5.771 0.604 4.519 1.00 1.99 S ATOM 1943 CE MET A 124 -4.416 0.556 5.688 1.00 2.44 C ATOM 0 H MET A 124 -7.268 1.372 2.785 1.00 0.37 H new ATOM 0 HA MET A 124 -5.528 0.476 0.625 1.00 0.38 H new ATOM 0 HB2 MET A 124 -7.159 -1.087 2.670 1.00 0.50 H new ATOM 0 HB3 MET A 124 -5.901 -1.733 1.636 1.00 0.50 H new ATOM 0 HG2 MET A 124 -4.872 -1.473 3.738 1.00 0.90 H new ATOM 0 HG3 MET A 124 -4.285 -0.123 2.787 1.00 0.90 H new ATOM 0 HE1 MET A 124 -4.492 1.405 6.368 1.00 2.44 H new ATOM 0 HE2 MET A 124 -4.461 -0.371 6.259 1.00 2.44 H new ATOM 0 HE3 MET A 124 -3.469 0.606 5.150 1.00 2.44 H new ATOM 1953 N LEU A 125 -8.728 -0.348 0.741 1.00 0.37 N ATOM 1954 CA LEU A 125 -9.877 -0.785 -0.059 1.00 0.41 C ATOM 1955 C LEU A 125 -10.242 0.141 -1.218 1.00 0.34 C ATOM 1956 O LEU A 125 -10.634 -0.341 -2.275 1.00 0.40 O ATOM 1957 CB LEU A 125 -11.109 -0.948 0.834 1.00 0.53 C ATOM 1958 CG LEU A 125 -10.981 -1.956 1.978 1.00 0.61 C ATOM 1959 CD1 LEU A 125 -12.278 -2.038 2.762 1.00 0.85 C ATOM 1960 CD2 LEU A 125 -10.588 -3.327 1.452 1.00 0.76 C ATOM 0 H LEU A 125 -8.925 -0.269 1.739 1.00 0.37 H new ATOM 0 HA LEU A 125 -9.567 -1.733 -0.499 1.00 0.41 H new ATOM 0 HB2 LEU A 125 -11.356 0.025 1.259 1.00 0.53 H new ATOM 0 HB3 LEU A 125 -11.950 -1.245 0.208 1.00 0.53 H new ATOM 0 HG LEU A 125 -10.193 -1.611 2.647 1.00 0.61 H new ATOM 0 HD11 LEU A 125 -12.169 -2.760 3.572 1.00 0.85 H new ATOM 0 HD12 LEU A 125 -12.514 -1.059 3.178 1.00 0.85 H new ATOM 0 HD13 LEU A 125 -13.084 -2.355 2.100 1.00 0.85 H new ATOM 0 HD21 LEU A 125 -10.503 -4.026 2.284 1.00 0.76 H new ATOM 0 HD22 LEU A 125 -11.349 -3.682 0.757 1.00 0.76 H new ATOM 0 HD23 LEU A 125 -9.630 -3.258 0.937 1.00 0.76 H new ATOM 1972 N TRP A 126 -10.175 1.455 -1.032 1.00 0.31 N ATOM 1973 CA TRP A 126 -10.576 2.366 -2.101 1.00 0.32 C ATOM 1974 C TRP A 126 -9.620 2.316 -3.304 1.00 0.29 C ATOM 1975 O TRP A 126 -10.055 2.038 -4.421 1.00 0.31 O ATOM 1976 CB TRP A 126 -10.719 3.791 -1.569 1.00 0.38 C ATOM 1977 CG TRP A 126 -11.149 4.785 -2.605 1.00 0.46 C ATOM 1978 CD1 TRP A 126 -10.761 6.087 -2.677 1.00 0.46 C ATOM 1979 CD2 TRP A 126 -12.040 4.570 -3.712 1.00 0.93 C ATOM 1980 NE1 TRP A 126 -11.351 6.700 -3.753 1.00 0.54 N ATOM 1981 CE2 TRP A 126 -12.139 5.790 -4.407 1.00 0.94 C ATOM 1982 CE3 TRP A 126 -12.764 3.470 -4.184 1.00 1.45 C ATOM 1983 CZ2 TRP A 126 -12.926 5.940 -5.545 1.00 1.42 C ATOM 1984 CZ3 TRP A 126 -13.545 3.620 -5.315 1.00 1.96 C ATOM 1985 CH2 TRP A 126 -13.620 4.847 -5.985 1.00 1.93 C ATOM 0 H TRP A 126 -9.856 1.906 -0.175 1.00 0.31 H new ATOM 0 HA TRP A 126 -11.549 2.031 -2.462 1.00 0.32 H new ATOM 0 HB2 TRP A 126 -11.443 3.793 -0.754 1.00 0.38 H new ATOM 0 HB3 TRP A 126 -9.765 4.109 -1.148 1.00 0.38 H new ATOM 0 HD1 TRP A 126 -10.085 6.569 -1.986 1.00 0.46 H new ATOM 0 HE1 TRP A 126 -11.224 7.675 -4.023 1.00 0.54 H new ATOM 0 HE3 TRP A 126 -12.714 2.520 -3.674 1.00 1.45 H new ATOM 0 HZ2 TRP A 126 -12.986 6.886 -6.062 1.00 1.42 H new ATOM 0 HZ3 TRP A 126 -14.107 2.776 -5.688 1.00 1.96 H new ATOM 0 HH2 TRP A 126 -14.238 4.932 -6.867 1.00 1.93 H new ATOM 1996 N PRO A 127 -8.311 2.596 -3.115 1.00 0.28 N ATOM 1997 CA PRO A 127 -7.338 2.586 -4.218 1.00 0.29 C ATOM 1998 C PRO A 127 -7.049 1.189 -4.763 1.00 0.28 C ATOM 1999 O PRO A 127 -6.887 1.010 -5.971 1.00 0.31 O ATOM 2000 CB PRO A 127 -6.065 3.179 -3.595 1.00 0.30 C ATOM 2001 CG PRO A 127 -6.501 3.781 -2.304 1.00 0.31 C ATOM 2002 CD PRO A 127 -7.672 2.962 -1.844 1.00 0.29 C ATOM 0 HA PRO A 127 -7.719 3.145 -5.073 1.00 0.29 H new ATOM 0 HB2 PRO A 127 -5.310 2.409 -3.435 1.00 0.30 H new ATOM 0 HB3 PRO A 127 -5.620 3.930 -4.248 1.00 0.30 H new ATOM 0 HG2 PRO A 127 -5.695 3.758 -1.570 1.00 0.31 H new ATOM 0 HG3 PRO A 127 -6.782 4.826 -2.435 1.00 0.31 H new ATOM 0 HD2 PRO A 127 -7.358 2.085 -1.278 1.00 0.29 H new ATOM 0 HD3 PRO A 127 -8.341 3.533 -1.201 1.00 0.29 H new ATOM 2010 N LEU A 128 -6.977 0.201 -3.875 1.00 0.25 N ATOM 2011 CA LEU A 128 -6.699 -1.174 -4.284 1.00 0.26 C ATOM 2012 C LEU A 128 -7.833 -1.701 -5.155 1.00 0.27 C ATOM 2013 O LEU A 128 -7.614 -2.443 -6.112 1.00 0.29 O ATOM 2014 CB LEU A 128 -6.556 -2.059 -3.047 1.00 0.26 C ATOM 2015 CG LEU A 128 -5.343 -2.976 -2.996 1.00 0.29 C ATOM 2016 CD1 LEU A 128 -4.058 -2.165 -2.952 1.00 0.30 C ATOM 2017 CD2 LEU A 128 -5.436 -3.884 -1.778 1.00 0.44 C ATOM 0 H LEU A 128 -7.107 0.325 -2.871 1.00 0.25 H new ATOM 0 HA LEU A 128 -5.771 -1.192 -4.856 1.00 0.26 H new ATOM 0 HB2 LEU A 128 -6.531 -1.414 -2.169 1.00 0.26 H new ATOM 0 HB3 LEU A 128 -7.451 -2.675 -2.965 1.00 0.26 H new ATOM 0 HG LEU A 128 -5.328 -3.588 -3.898 1.00 0.29 H new ATOM 0 HD11 LEU A 128 -3.203 -2.840 -2.916 1.00 0.30 H new ATOM 0 HD12 LEU A 128 -3.991 -1.541 -3.843 1.00 0.30 H new ATOM 0 HD13 LEU A 128 -4.058 -1.531 -2.065 1.00 0.30 H new ATOM 0 HD21 LEU A 128 -4.565 -4.539 -1.745 1.00 0.44 H new ATOM 0 HD22 LEU A 128 -5.468 -3.277 -0.873 1.00 0.44 H new ATOM 0 HD23 LEU A 128 -6.342 -4.487 -1.842 1.00 0.44 H new ATOM 2029 N PHE A 129 -9.048 -1.301 -4.800 1.00 0.28 N ATOM 2030 CA PHE A 129 -10.257 -1.710 -5.519 1.00 0.30 C ATOM 2031 C PHE A 129 -10.174 -1.303 -6.991 1.00 0.30 C ATOM 2032 O PHE A 129 -10.967 -1.747 -7.818 1.00 0.32 O ATOM 2033 CB PHE A 129 -11.484 -1.051 -4.872 1.00 0.36 C ATOM 2034 CG PHE A 129 -12.773 -1.253 -5.623 1.00 0.42 C ATOM 2035 CD1 PHE A 129 -13.319 -2.515 -5.767 1.00 0.47 C ATOM 2036 CD2 PHE A 129 -13.438 -0.171 -6.177 1.00 0.48 C ATOM 2037 CE1 PHE A 129 -14.504 -2.698 -6.451 1.00 0.55 C ATOM 2038 CE2 PHE A 129 -14.625 -0.347 -6.864 1.00 0.56 C ATOM 2039 CZ PHE A 129 -15.159 -1.614 -7.001 1.00 0.58 C ATOM 0 H PHE A 129 -9.227 -0.685 -4.007 1.00 0.28 H new ATOM 0 HA PHE A 129 -10.347 -2.795 -5.463 1.00 0.30 H new ATOM 0 HB2 PHE A 129 -11.601 -1.445 -3.862 1.00 0.36 H new ATOM 0 HB3 PHE A 129 -11.298 0.019 -4.777 1.00 0.36 H new ATOM 0 HD1 PHE A 129 -12.812 -3.368 -5.339 1.00 0.47 H new ATOM 0 HD2 PHE A 129 -13.025 0.821 -6.071 1.00 0.48 H new ATOM 0 HE1 PHE A 129 -14.919 -3.690 -6.556 1.00 0.55 H new ATOM 0 HE2 PHE A 129 -15.134 0.504 -7.293 1.00 0.56 H new ATOM 0 HZ PHE A 129 -16.086 -1.756 -7.537 1.00 0.58 H new ATOM 2049 N GLU A 130 -9.223 -0.434 -7.303 1.00 0.29 N ATOM 2050 CA GLU A 130 -9.051 0.055 -8.664 1.00 0.31 C ATOM 2051 C GLU A 130 -7.864 -0.606 -9.354 1.00 0.29 C ATOM 2052 O GLU A 130 -7.879 -0.800 -10.570 1.00 0.32 O ATOM 2053 CB GLU A 130 -8.866 1.575 -8.658 1.00 0.36 C ATOM 2054 CG GLU A 130 -8.735 2.181 -10.045 1.00 0.93 C ATOM 2055 CD GLU A 130 -9.956 1.930 -10.908 1.00 1.41 C ATOM 2056 OE1 GLU A 130 -11.061 2.356 -10.511 1.00 1.52 O ATOM 2057 OE2 GLU A 130 -9.806 1.307 -11.981 1.00 2.43 O ATOM 0 H GLU A 130 -8.557 -0.052 -6.631 1.00 0.29 H new ATOM 0 HA GLU A 130 -9.951 -0.202 -9.223 1.00 0.31 H new ATOM 0 HB2 GLU A 130 -9.715 2.033 -8.150 1.00 0.36 H new ATOM 0 HB3 GLU A 130 -7.976 1.821 -8.078 1.00 0.36 H new ATOM 0 HG2 GLU A 130 -8.573 3.255 -9.954 1.00 0.93 H new ATOM 0 HG3 GLU A 130 -7.855 1.766 -10.537 1.00 0.93 H new ATOM 2064 N ILE A 131 -6.831 -0.941 -8.583 1.00 0.26 N ATOM 2065 CA ILE A 131 -5.649 -1.562 -9.161 1.00 0.27 C ATOM 2066 C ILE A 131 -5.945 -2.993 -9.579 1.00 0.27 C ATOM 2067 O ILE A 131 -5.385 -3.489 -10.556 1.00 0.30 O ATOM 2068 CB ILE A 131 -4.470 -1.542 -8.166 1.00 0.27 C ATOM 2069 CG1 ILE A 131 -4.639 -2.605 -7.067 1.00 0.29 C ATOM 2070 CG2 ILE A 131 -4.369 -0.161 -7.547 1.00 0.32 C ATOM 2071 CD1 ILE A 131 -3.445 -2.722 -6.150 1.00 0.59 C ATOM 0 H ILE A 131 -6.791 -0.795 -7.574 1.00 0.26 H new ATOM 0 HA ILE A 131 -5.370 -0.985 -10.043 1.00 0.27 H new ATOM 0 HB ILE A 131 -3.554 -1.776 -8.708 1.00 0.27 H new ATOM 0 HG12 ILE A 131 -5.521 -2.364 -6.473 1.00 0.29 H new ATOM 0 HG13 ILE A 131 -4.824 -3.572 -7.534 1.00 0.29 H new ATOM 0 HG21 ILE A 131 -3.538 -0.138 -6.842 1.00 0.32 H new ATOM 0 HG22 ILE A 131 -4.201 0.578 -8.331 1.00 0.32 H new ATOM 0 HG23 ILE A 131 -5.296 0.071 -7.023 1.00 0.32 H new ATOM 0 HD11 ILE A 131 -3.636 -3.490 -5.401 1.00 0.59 H new ATOM 0 HD12 ILE A 131 -2.564 -2.993 -6.732 1.00 0.59 H new ATOM 0 HD13 ILE A 131 -3.272 -1.767 -5.654 1.00 0.59 H new ATOM 2083 N ALA A 132 -6.868 -3.623 -8.852 1.00 0.24 N ATOM 2084 CA ALA A 132 -7.300 -4.992 -9.145 1.00 0.25 C ATOM 2085 C ALA A 132 -8.036 -5.610 -7.963 1.00 0.23 C ATOM 2086 O ALA A 132 -7.444 -6.323 -7.169 1.00 0.28 O ATOM 2087 CB ALA A 132 -6.121 -5.878 -9.533 1.00 0.30 C ATOM 0 H ALA A 132 -7.335 -3.203 -8.048 1.00 0.24 H new ATOM 0 HA ALA A 132 -7.985 -4.931 -9.990 1.00 0.25 H new ATOM 0 HB1 ALA A 132 -6.477 -6.886 -9.744 1.00 0.30 H new ATOM 0 HB2 ALA A 132 -5.637 -5.471 -10.421 1.00 0.30 H new ATOM 0 HB3 ALA A 132 -5.405 -5.910 -8.712 1.00 0.30 H new ATOM 2093 N PRO A 133 -9.343 -5.355 -7.827 1.00 0.25 N ATOM 2094 CA PRO A 133 -10.138 -5.902 -6.728 1.00 0.31 C ATOM 2095 C PRO A 133 -10.679 -7.294 -7.031 1.00 0.35 C ATOM 2096 O PRO A 133 -11.597 -7.772 -6.364 1.00 0.45 O ATOM 2097 CB PRO A 133 -11.265 -4.891 -6.631 1.00 0.37 C ATOM 2098 CG PRO A 133 -11.516 -4.508 -8.048 1.00 0.37 C ATOM 2099 CD PRO A 133 -10.164 -4.519 -8.725 1.00 0.29 C ATOM 0 HA PRO A 133 -9.564 -6.033 -5.811 1.00 0.31 H new ATOM 0 HB2 PRO A 133 -12.153 -5.323 -6.169 1.00 0.37 H new ATOM 0 HB3 PRO A 133 -10.980 -4.029 -6.027 1.00 0.37 H new ATOM 0 HG2 PRO A 133 -12.199 -5.210 -8.527 1.00 0.37 H new ATOM 0 HG3 PRO A 133 -11.976 -3.522 -8.111 1.00 0.37 H new ATOM 0 HD2 PRO A 133 -10.220 -4.941 -9.728 1.00 0.29 H new ATOM 0 HD3 PRO A 133 -9.755 -3.513 -8.824 1.00 0.29 H new ATOM 2107 N GLU A 134 -10.105 -7.939 -8.041 1.00 0.32 N ATOM 2108 CA GLU A 134 -10.523 -9.278 -8.437 1.00 0.37 C ATOM 2109 C GLU A 134 -9.802 -10.319 -7.597 1.00 0.37 C ATOM 2110 O GLU A 134 -9.777 -11.503 -7.936 1.00 0.52 O ATOM 2111 CB GLU A 134 -10.222 -9.505 -9.918 1.00 0.44 C ATOM 2112 CG GLU A 134 -8.738 -9.456 -10.243 1.00 0.46 C ATOM 2113 CD GLU A 134 -8.461 -9.557 -11.730 1.00 0.54 C ATOM 2114 OE1 GLU A 134 -8.929 -8.679 -12.485 1.00 0.87 O ATOM 2115 OE2 GLU A 134 -7.771 -10.515 -12.141 1.00 1.14 O ATOM 0 H GLU A 134 -9.346 -7.553 -8.602 1.00 0.32 H new ATOM 0 HA GLU A 134 -11.597 -9.373 -8.275 1.00 0.37 H new ATOM 0 HB2 GLU A 134 -10.621 -10.474 -10.219 1.00 0.44 H new ATOM 0 HB3 GLU A 134 -10.741 -8.749 -10.507 1.00 0.44 H new ATOM 0 HG2 GLU A 134 -8.317 -8.526 -9.862 1.00 0.46 H new ATOM 0 HG3 GLU A 134 -8.230 -10.271 -9.727 1.00 0.46 H new ATOM 2122 N LEU A 135 -9.205 -9.862 -6.504 1.00 0.30 N ATOM 2123 CA LEU A 135 -8.464 -10.737 -5.612 1.00 0.35 C ATOM 2124 C LEU A 135 -9.396 -11.425 -4.627 1.00 0.34 C ATOM 2125 O LEU A 135 -10.328 -10.816 -4.107 1.00 0.39 O ATOM 2126 CB LEU A 135 -7.416 -9.931 -4.844 1.00 0.41 C ATOM 2127 CG LEU A 135 -6.145 -10.701 -4.453 1.00 0.69 C ATOM 2128 CD1 LEU A 135 -5.188 -9.802 -3.698 1.00 1.27 C ATOM 2129 CD2 LEU A 135 -6.462 -11.924 -3.608 1.00 1.41 C ATOM 0 H LEU A 135 -9.221 -8.884 -6.215 1.00 0.30 H new ATOM 0 HA LEU A 135 -7.971 -11.499 -6.216 1.00 0.35 H new ATOM 0 HB2 LEU A 135 -7.127 -9.072 -5.450 1.00 0.41 H new ATOM 0 HB3 LEU A 135 -7.877 -9.540 -3.937 1.00 0.41 H new ATOM 0 HG LEU A 135 -5.678 -11.037 -5.379 1.00 0.69 H new ATOM 0 HD11 LEU A 135 -4.294 -10.366 -3.430 1.00 1.27 H new ATOM 0 HD12 LEU A 135 -4.909 -8.957 -4.328 1.00 1.27 H new ATOM 0 HD13 LEU A 135 -5.671 -9.435 -2.792 1.00 1.27 H new ATOM 0 HD21 LEU A 135 -5.536 -12.440 -3.353 1.00 1.41 H new ATOM 0 HD22 LEU A 135 -6.968 -11.613 -2.694 1.00 1.41 H new ATOM 0 HD23 LEU A 135 -7.109 -12.597 -4.170 1.00 1.41 H new ATOM 2141 N VAL A 136 -9.114 -12.690 -4.360 1.00 0.36 N ATOM 2142 CA VAL A 136 -9.898 -13.471 -3.418 1.00 0.38 C ATOM 2143 C VAL A 136 -8.974 -14.228 -2.469 1.00 0.42 C ATOM 2144 O VAL A 136 -7.914 -14.707 -2.877 1.00 0.53 O ATOM 2145 CB VAL A 136 -10.831 -14.465 -4.136 1.00 0.41 C ATOM 2146 CG1 VAL A 136 -10.046 -15.338 -5.103 1.00 0.46 C ATOM 2147 CG2 VAL A 136 -11.584 -15.319 -3.128 1.00 0.44 C ATOM 0 H VAL A 136 -8.341 -13.201 -4.787 1.00 0.36 H new ATOM 0 HA VAL A 136 -10.519 -12.776 -2.852 1.00 0.38 H new ATOM 0 HB VAL A 136 -11.561 -13.894 -4.710 1.00 0.41 H new ATOM 0 HG11 VAL A 136 -10.724 -16.032 -5.599 1.00 0.46 H new ATOM 0 HG12 VAL A 136 -9.561 -14.709 -5.849 1.00 0.46 H new ATOM 0 HG13 VAL A 136 -9.289 -15.899 -4.555 1.00 0.46 H new ATOM 0 HG21 VAL A 136 -12.237 -16.014 -3.656 1.00 0.44 H new ATOM 0 HG22 VAL A 136 -10.872 -15.879 -2.522 1.00 0.44 H new ATOM 0 HG23 VAL A 136 -12.183 -14.677 -2.483 1.00 0.44 H new ATOM 2157 N PHE A 137 -9.370 -14.331 -1.206 1.00 0.46 N ATOM 2158 CA PHE A 137 -8.567 -15.026 -0.215 1.00 0.53 C ATOM 2159 C PHE A 137 -8.747 -16.531 -0.368 1.00 0.57 C ATOM 2160 O PHE A 137 -9.702 -16.977 -1.006 1.00 0.60 O ATOM 2161 CB PHE A 137 -8.971 -14.588 1.200 1.00 0.59 C ATOM 2162 CG PHE A 137 -8.687 -13.139 1.509 1.00 0.58 C ATOM 2163 CD1 PHE A 137 -9.049 -12.146 0.609 1.00 0.55 C ATOM 2164 CD2 PHE A 137 -8.057 -12.767 2.687 1.00 0.66 C ATOM 2165 CE1 PHE A 137 -8.788 -10.816 0.880 1.00 0.59 C ATOM 2166 CE2 PHE A 137 -7.795 -11.437 2.962 1.00 0.68 C ATOM 2167 CZ PHE A 137 -8.166 -10.468 2.097 1.00 0.64 C ATOM 0 H PHE A 137 -10.242 -13.942 -0.847 1.00 0.46 H new ATOM 0 HA PHE A 137 -7.518 -14.774 -0.371 1.00 0.53 H new ATOM 0 HB2 PHE A 137 -10.037 -14.773 1.334 1.00 0.59 H new ATOM 0 HB3 PHE A 137 -8.446 -15.211 1.924 1.00 0.59 H new ATOM 0 HD1 PHE A 137 -9.540 -12.416 -0.314 1.00 0.55 H new ATOM 0 HD2 PHE A 137 -7.767 -13.526 3.399 1.00 0.66 H new ATOM 0 HE1 PHE A 137 -9.058 -10.051 0.167 1.00 0.59 H new ATOM 0 HE2 PHE A 137 -7.289 -11.170 3.878 1.00 0.68 H new ATOM 0 HZ PHE A 137 -7.987 -9.430 2.337 1.00 0.64 H new ATOM 2177 N PRO A 138 -7.844 -17.342 0.217 1.00 0.60 N ATOM 2178 CA PRO A 138 -7.941 -18.802 0.138 1.00 0.66 C ATOM 2179 C PRO A 138 -9.355 -19.281 0.451 1.00 0.73 C ATOM 2180 O PRO A 138 -9.753 -20.385 0.082 1.00 0.78 O ATOM 2181 CB PRO A 138 -6.962 -19.271 1.213 1.00 0.70 C ATOM 2182 CG PRO A 138 -5.940 -18.195 1.282 1.00 0.75 C ATOM 2183 CD PRO A 138 -6.671 -16.908 1.003 1.00 0.62 C ATOM 0 HA PRO A 138 -7.714 -19.189 -0.855 1.00 0.66 H new ATOM 0 HB2 PRO A 138 -7.461 -19.406 2.172 1.00 0.70 H new ATOM 0 HB3 PRO A 138 -6.513 -20.229 0.950 1.00 0.70 H new ATOM 0 HG2 PRO A 138 -5.466 -18.170 2.263 1.00 0.75 H new ATOM 0 HG3 PRO A 138 -5.149 -18.361 0.550 1.00 0.75 H new ATOM 0 HD2 PRO A 138 -6.968 -16.407 1.924 1.00 0.62 H new ATOM 0 HD3 PRO A 138 -6.051 -16.207 0.445 1.00 0.62 H new ATOM 2191 N ASP A 139 -10.107 -18.419 1.129 1.00 0.77 N ATOM 2192 CA ASP A 139 -11.486 -18.701 1.502 1.00 0.87 C ATOM 2193 C ASP A 139 -12.451 -18.282 0.394 1.00 0.80 C ATOM 2194 O ASP A 139 -12.878 -19.106 -0.416 1.00 1.03 O ATOM 2195 CB ASP A 139 -11.831 -17.955 2.790 1.00 0.92 C ATOM 2196 CG ASP A 139 -11.256 -18.620 4.027 1.00 1.33 C ATOM 2197 OD1 ASP A 139 -10.588 -19.665 3.880 1.00 1.72 O ATOM 2198 OD2 ASP A 139 -11.470 -18.095 5.139 1.00 1.91 O ATOM 0 H ASP A 139 -9.775 -17.504 1.435 1.00 0.77 H new ATOM 0 HA ASP A 139 -11.587 -19.775 1.657 1.00 0.87 H new ATOM 0 HB2 ASP A 139 -11.456 -16.934 2.725 1.00 0.92 H new ATOM 0 HB3 ASP A 139 -12.915 -17.891 2.888 1.00 0.92 H new ATOM 2203 N GLY A 140 -12.793 -16.996 0.374 1.00 0.59 N ATOM 2204 CA GLY A 140 -13.708 -16.479 -0.629 1.00 0.59 C ATOM 2205 C GLY A 140 -13.749 -14.961 -0.659 1.00 0.61 C ATOM 2206 O GLY A 140 -14.118 -14.367 -1.673 1.00 0.95 O ATOM 0 H GLY A 140 -12.451 -16.301 1.037 1.00 0.59 H new ATOM 0 HA2 GLY A 140 -13.412 -16.850 -1.610 1.00 0.59 H new ATOM 0 HA3 GLY A 140 -14.710 -16.862 -0.433 1.00 0.59 H new ATOM 2210 N GLU A 141 -13.369 -14.335 0.453 1.00 0.51 N ATOM 2211 CA GLU A 141 -13.358 -12.881 0.563 1.00 0.62 C ATOM 2212 C GLU A 141 -12.627 -12.242 -0.615 1.00 0.53 C ATOM 2213 O GLU A 141 -11.711 -12.833 -1.179 1.00 0.59 O ATOM 2214 CB GLU A 141 -12.681 -12.472 1.869 1.00 0.86 C ATOM 2215 CG GLU A 141 -12.723 -10.979 2.137 1.00 1.38 C ATOM 2216 CD GLU A 141 -12.098 -10.605 3.466 1.00 2.15 C ATOM 2217 OE1 GLU A 141 -10.901 -10.897 3.664 1.00 2.76 O ATOM 2218 OE2 GLU A 141 -12.808 -10.020 4.312 1.00 2.53 O ATOM 0 H GLU A 141 -13.062 -14.819 1.297 1.00 0.51 H new ATOM 0 HA GLU A 141 -14.390 -12.530 0.554 1.00 0.62 H new ATOM 0 HB2 GLU A 141 -13.162 -12.994 2.696 1.00 0.86 H new ATOM 0 HB3 GLU A 141 -11.641 -12.799 1.847 1.00 0.86 H new ATOM 0 HG2 GLU A 141 -12.202 -10.455 1.335 1.00 1.38 H new ATOM 0 HG3 GLU A 141 -13.759 -10.640 2.119 1.00 1.38 H new ATOM 2225 N MET A 142 -13.038 -11.030 -0.979 1.00 0.48 N ATOM 2226 CA MET A 142 -12.419 -10.308 -2.086 1.00 0.41 C ATOM 2227 C MET A 142 -12.360 -8.816 -1.780 1.00 0.37 C ATOM 2228 O MET A 142 -13.063 -8.338 -0.892 1.00 0.39 O ATOM 2229 CB MET A 142 -13.206 -10.543 -3.375 1.00 0.42 C ATOM 2230 CG MET A 142 -13.261 -12.003 -3.800 1.00 0.49 C ATOM 2231 SD MET A 142 -14.192 -12.252 -5.324 1.00 0.55 S ATOM 2232 CE MET A 142 -13.223 -11.281 -6.476 1.00 1.68 C ATOM 0 H MET A 142 -13.799 -10.527 -0.522 1.00 0.48 H new ATOM 0 HA MET A 142 -11.403 -10.681 -2.217 1.00 0.41 H new ATOM 0 HB2 MET A 142 -14.223 -10.174 -3.242 1.00 0.42 H new ATOM 0 HB3 MET A 142 -12.757 -9.957 -4.177 1.00 0.42 H new ATOM 0 HG2 MET A 142 -12.246 -12.376 -3.935 1.00 0.49 H new ATOM 0 HG3 MET A 142 -13.714 -12.592 -3.003 1.00 0.49 H new ATOM 0 HE1 MET A 142 -13.426 -11.615 -7.494 1.00 1.68 H new ATOM 0 HE2 MET A 142 -13.490 -10.229 -6.379 1.00 1.68 H new ATOM 0 HE3 MET A 142 -12.163 -11.408 -6.257 1.00 1.68 H new ATOM 2242 N LEU A 143 -11.534 -8.071 -2.517 1.00 0.38 N ATOM 2243 CA LEU A 143 -11.423 -6.648 -2.306 1.00 0.39 C ATOM 2244 C LEU A 143 -12.759 -5.984 -2.603 1.00 0.41 C ATOM 2245 O LEU A 143 -13.069 -4.913 -2.082 1.00 0.50 O ATOM 2246 CB LEU A 143 -10.324 -6.102 -3.209 1.00 0.44 C ATOM 2247 CG LEU A 143 -9.937 -4.650 -2.981 1.00 0.51 C ATOM 2248 CD1 LEU A 143 -9.518 -4.422 -1.536 1.00 1.38 C ATOM 2249 CD2 LEU A 143 -8.812 -4.283 -3.923 1.00 1.56 C ATOM 0 H LEU A 143 -10.939 -8.438 -3.260 1.00 0.38 H new ATOM 0 HA LEU A 143 -11.163 -6.436 -1.269 1.00 0.39 H new ATOM 0 HB2 LEU A 143 -9.435 -6.719 -3.080 1.00 0.44 H new ATOM 0 HB3 LEU A 143 -10.643 -6.214 -4.245 1.00 0.44 H new ATOM 0 HG LEU A 143 -10.800 -4.015 -3.181 1.00 0.51 H new ATOM 0 HD11 LEU A 143 -9.246 -3.376 -1.397 1.00 1.38 H new ATOM 0 HD12 LEU A 143 -10.346 -4.672 -0.873 1.00 1.38 H new ATOM 0 HD13 LEU A 143 -8.662 -5.054 -1.301 1.00 1.38 H new ATOM 0 HD21 LEU A 143 -8.530 -3.242 -3.764 1.00 1.56 H new ATOM 0 HD22 LEU A 143 -7.953 -4.925 -3.731 1.00 1.56 H new ATOM 0 HD23 LEU A 143 -9.142 -4.417 -4.953 1.00 1.56 H new ATOM 2261 N ARG A 144 -13.556 -6.657 -3.426 1.00 0.39 N ATOM 2262 CA ARG A 144 -14.879 -6.170 -3.785 1.00 0.47 C ATOM 2263 C ARG A 144 -15.890 -6.572 -2.717 1.00 0.49 C ATOM 2264 O ARG A 144 -16.789 -5.805 -2.371 1.00 0.56 O ATOM 2265 CB ARG A 144 -15.302 -6.723 -5.150 1.00 0.54 C ATOM 2266 CG ARG A 144 -16.742 -6.395 -5.520 1.00 0.77 C ATOM 2267 CD ARG A 144 -17.000 -4.896 -5.496 1.00 0.88 C ATOM 2268 NE ARG A 144 -18.395 -4.572 -5.791 1.00 1.47 N ATOM 2269 CZ ARG A 144 -18.983 -4.823 -6.958 1.00 2.12 C ATOM 2270 NH1 ARG A 144 -18.296 -5.373 -7.951 1.00 2.68 N ATOM 2271 NH2 ARG A 144 -20.260 -4.514 -7.135 1.00 2.83 N ATOM 0 H ARG A 144 -13.305 -7.546 -3.858 1.00 0.39 H new ATOM 0 HA ARG A 144 -14.845 -5.082 -3.849 1.00 0.47 H new ATOM 0 HB2 ARG A 144 -14.638 -6.323 -5.916 1.00 0.54 H new ATOM 0 HB3 ARG A 144 -15.173 -7.805 -5.150 1.00 0.54 H new ATOM 0 HG2 ARG A 144 -16.961 -6.786 -6.513 1.00 0.77 H new ATOM 0 HG3 ARG A 144 -17.419 -6.892 -4.825 1.00 0.77 H new ATOM 0 HD2 ARG A 144 -16.736 -4.499 -4.516 1.00 0.88 H new ATOM 0 HD3 ARG A 144 -16.353 -4.406 -6.223 1.00 0.88 H new ATOM 0 HE ARG A 144 -18.950 -4.128 -5.059 1.00 1.47 H new ATOM 0 HH11 ARG A 144 -17.311 -5.606 -7.822 1.00 2.68 H new ATOM 0 HH12 ARG A 144 -18.753 -5.563 -8.843 1.00 2.68 H new ATOM 0 HH21 ARG A 144 -20.791 -4.084 -6.377 1.00 2.83 H new ATOM 0 HH22 ARG A 144 -20.712 -4.706 -8.029 1.00 2.83 H new ATOM 2285 N GLN A 145 -15.723 -7.783 -2.195 1.00 0.47 N ATOM 2286 CA GLN A 145 -16.606 -8.304 -1.159 1.00 0.52 C ATOM 2287 C GLN A 145 -16.452 -7.502 0.127 1.00 0.48 C ATOM 2288 O GLN A 145 -17.423 -7.278 0.848 1.00 0.56 O ATOM 2289 CB GLN A 145 -16.300 -9.785 -0.906 1.00 0.57 C ATOM 2290 CG GLN A 145 -17.082 -10.402 0.250 1.00 0.64 C ATOM 2291 CD GLN A 145 -16.455 -10.147 1.615 1.00 0.60 C ATOM 2292 OE1 GLN A 145 -16.988 -10.576 2.639 1.00 0.67 O ATOM 2293 NE2 GLN A 145 -15.323 -9.448 1.642 1.00 0.52 N ATOM 0 H GLN A 145 -14.980 -8.424 -2.475 1.00 0.47 H new ATOM 0 HA GLN A 145 -17.638 -8.211 -1.499 1.00 0.52 H new ATOM 0 HB2 GLN A 145 -16.514 -10.348 -1.815 1.00 0.57 H new ATOM 0 HB3 GLN A 145 -15.234 -9.894 -0.707 1.00 0.57 H new ATOM 0 HG2 GLN A 145 -18.096 -10.003 0.245 1.00 0.64 H new ATOM 0 HG3 GLN A 145 -17.161 -11.477 0.091 1.00 0.64 H new ATOM 0 HE21 GLN A 145 -14.912 -9.109 0.772 1.00 0.52 H new ATOM 0 HE22 GLN A 145 -14.866 -9.251 2.533 1.00 0.52 H new ATOM 2302 N ILE A 146 -15.225 -7.075 0.409 1.00 0.40 N ATOM 2303 CA ILE A 146 -14.953 -6.304 1.611 1.00 0.40 C ATOM 2304 C ILE A 146 -15.654 -4.957 1.550 1.00 0.43 C ATOM 2305 O ILE A 146 -16.263 -4.523 2.528 1.00 0.53 O ATOM 2306 CB ILE A 146 -13.442 -6.090 1.832 1.00 0.42 C ATOM 2307 CG1 ILE A 146 -12.735 -7.441 1.976 1.00 0.43 C ATOM 2308 CG2 ILE A 146 -13.209 -5.231 3.065 1.00 0.50 C ATOM 2309 CD1 ILE A 146 -11.235 -7.329 2.168 1.00 0.78 C ATOM 0 H ILE A 146 -14.409 -7.250 -0.177 1.00 0.40 H new ATOM 0 HA ILE A 146 -15.339 -6.879 2.453 1.00 0.40 H new ATOM 0 HB ILE A 146 -13.027 -5.572 0.967 1.00 0.42 H new ATOM 0 HG12 ILE A 146 -13.162 -7.975 2.825 1.00 0.43 H new ATOM 0 HG13 ILE A 146 -12.935 -8.041 1.088 1.00 0.43 H new ATOM 0 HG21 ILE A 146 -12.138 -5.087 3.211 1.00 0.50 H new ATOM 0 HG22 ILE A 146 -13.691 -4.263 2.930 1.00 0.50 H new ATOM 0 HG23 ILE A 146 -13.631 -5.727 3.939 1.00 0.50 H new ATOM 0 HD11 ILE A 146 -10.805 -8.326 2.262 1.00 0.78 H new ATOM 0 HD12 ILE A 146 -10.795 -6.824 1.308 1.00 0.78 H new ATOM 0 HD13 ILE A 146 -11.026 -6.757 3.072 1.00 0.78 H new ATOM 2321 N LEU A 147 -15.591 -4.303 0.391 1.00 0.42 N ATOM 2322 CA LEU A 147 -16.254 -3.020 0.232 1.00 0.50 C ATOM 2323 C LEU A 147 -17.765 -3.212 0.236 1.00 0.59 C ATOM 2324 O LEU A 147 -18.514 -2.300 0.577 1.00 0.72 O ATOM 2325 CB LEU A 147 -15.812 -2.300 -1.046 1.00 0.55 C ATOM 2326 CG LEU A 147 -14.503 -1.514 -0.931 1.00 0.61 C ATOM 2327 CD1 LEU A 147 -14.316 -0.610 -2.138 1.00 0.76 C ATOM 2328 CD2 LEU A 147 -14.483 -0.687 0.346 1.00 0.62 C ATOM 0 H LEU A 147 -15.096 -4.637 -0.436 1.00 0.42 H new ATOM 0 HA LEU A 147 -15.966 -2.391 1.074 1.00 0.50 H new ATOM 0 HB2 LEU A 147 -15.706 -3.038 -1.841 1.00 0.55 H new ATOM 0 HB3 LEU A 147 -16.603 -1.615 -1.350 1.00 0.55 H new ATOM 0 HG LEU A 147 -13.681 -2.229 -0.897 1.00 0.61 H new ATOM 0 HD11 LEU A 147 -13.381 -0.059 -2.039 1.00 0.76 H new ATOM 0 HD12 LEU A 147 -14.287 -1.215 -3.044 1.00 0.76 H new ATOM 0 HD13 LEU A 147 -15.146 0.093 -2.198 1.00 0.76 H new ATOM 0 HD21 LEU A 147 -13.544 -0.136 0.408 1.00 0.62 H new ATOM 0 HD22 LEU A 147 -15.316 0.016 0.337 1.00 0.62 H new ATOM 0 HD23 LEU A 147 -14.574 -1.347 1.209 1.00 0.62 H new ATOM 2340 N HIS A 148 -18.212 -4.415 -0.115 1.00 0.59 N ATOM 2341 CA HIS A 148 -19.637 -4.715 -0.111 1.00 0.73 C ATOM 2342 C HIS A 148 -20.184 -4.449 1.286 1.00 0.79 C ATOM 2343 O HIS A 148 -21.380 -4.235 1.480 1.00 0.90 O ATOM 2344 CB HIS A 148 -19.882 -6.175 -0.518 1.00 0.77 C ATOM 2345 CG HIS A 148 -21.321 -6.504 -0.793 1.00 0.93 C ATOM 2346 ND1 HIS A 148 -21.752 -7.778 -1.102 1.00 1.36 N ATOM 2347 CD2 HIS A 148 -22.428 -5.720 -0.819 1.00 1.58 C ATOM 2348 CE1 HIS A 148 -23.057 -7.763 -1.305 1.00 1.28 C ATOM 2349 NE2 HIS A 148 -23.490 -6.528 -1.138 1.00 1.34 N ATOM 0 H HIS A 148 -17.614 -5.189 -0.403 1.00 0.59 H new ATOM 0 HA HIS A 148 -20.149 -4.080 -0.834 1.00 0.73 H new ATOM 0 HB2 HIS A 148 -19.294 -6.396 -1.409 1.00 0.77 H new ATOM 0 HB3 HIS A 148 -19.517 -6.828 0.275 1.00 0.77 H new ATOM 0 HD2 HIS A 148 -22.466 -4.658 -0.625 1.00 1.58 H new ATOM 0 HE1 HIS A 148 -23.666 -8.617 -1.564 1.00 1.28 H new ATOM 0 HE2 HIS A 148 -24.459 -6.223 -1.231 1.00 1.34 H new ATOM 2358 N THR A 149 -19.268 -4.444 2.251 1.00 0.77 N ATOM 2359 CA THR A 149 -19.600 -4.185 3.642 1.00 0.88 C ATOM 2360 C THR A 149 -19.248 -2.742 4.013 1.00 0.86 C ATOM 2361 O THR A 149 -19.922 -2.120 4.833 1.00 0.94 O ATOM 2362 CB THR A 149 -18.856 -5.169 4.550 1.00 0.90 C ATOM 2363 OG1 THR A 149 -19.282 -6.497 4.301 1.00 1.10 O ATOM 2364 CG2 THR A 149 -19.051 -4.891 6.026 1.00 1.18 C ATOM 0 H THR A 149 -18.277 -4.620 2.087 1.00 0.77 H new ATOM 0 HA THR A 149 -20.672 -4.323 3.781 1.00 0.88 H new ATOM 0 HB THR A 149 -17.800 -5.040 4.312 1.00 0.90 H new ATOM 0 HG1 THR A 149 -18.795 -7.112 4.888 1.00 1.10 H new ATOM 0 HG21 THR A 149 -18.497 -5.625 6.611 1.00 1.18 H new ATOM 0 HG22 THR A 149 -18.686 -3.891 6.259 1.00 1.18 H new ATOM 0 HG23 THR A 149 -20.111 -4.957 6.272 1.00 1.18 H new ATOM 2372 N ARG A 150 -18.195 -2.215 3.385 1.00 0.86 N ATOM 2373 CA ARG A 150 -17.759 -0.840 3.634 1.00 0.93 C ATOM 2374 C ARG A 150 -18.276 0.091 2.536 1.00 0.95 C ATOM 2375 O ARG A 150 -19.123 0.952 2.781 1.00 1.05 O ATOM 2376 CB ARG A 150 -16.229 -0.759 3.686 1.00 0.99 C ATOM 2377 CG ARG A 150 -15.579 -1.595 4.786 1.00 0.96 C ATOM 2378 CD ARG A 150 -15.957 -1.112 6.178 1.00 1.26 C ATOM 2379 NE ARG A 150 -17.355 -1.382 6.504 1.00 2.01 N ATOM 2380 CZ ARG A 150 -17.920 -1.055 7.663 1.00 2.55 C ATOM 2381 NH1 ARG A 150 -17.211 -0.440 8.603 1.00 2.55 N ATOM 2382 NH2 ARG A 150 -19.195 -1.343 7.885 1.00 3.55 N ATOM 0 H ARG A 150 -17.630 -2.719 2.702 1.00 0.86 H new ATOM 0 HA ARG A 150 -18.167 -0.527 4.595 1.00 0.93 H new ATOM 0 HB2 ARG A 150 -15.830 -1.078 2.723 1.00 0.99 H new ATOM 0 HB3 ARG A 150 -15.939 0.283 3.822 1.00 0.99 H new ATOM 0 HG2 ARG A 150 -15.878 -2.637 4.672 1.00 0.96 H new ATOM 0 HG3 ARG A 150 -14.495 -1.560 4.674 1.00 0.96 H new ATOM 0 HD2 ARG A 150 -15.316 -1.597 6.914 1.00 1.26 H new ATOM 0 HD3 ARG A 150 -15.771 -0.040 6.250 1.00 1.26 H new ATOM 0 HE ARG A 150 -17.931 -1.848 5.803 1.00 2.01 H new ATOM 0 HH11 ARG A 150 -16.230 -0.217 8.437 1.00 2.55 H new ATOM 0 HH12 ARG A 150 -17.648 -0.191 9.490 1.00 2.55 H new ATOM 0 HH21 ARG A 150 -19.744 -1.816 7.167 1.00 3.55 H new ATOM 0 HH22 ARG A 150 -19.627 -1.092 8.774 1.00 3.55 H new ATOM 2396 N ALA A 151 -17.765 -0.109 1.321 1.00 0.94 N ATOM 2397 CA ALA A 151 -18.164 0.682 0.159 1.00 1.04 C ATOM 2398 C ALA A 151 -17.870 2.164 0.353 1.00 1.11 C ATOM 2399 O ALA A 151 -18.677 3.018 -0.015 1.00 1.59 O ATOM 2400 CB ALA A 151 -19.641 0.470 -0.142 1.00 1.61 C ATOM 0 H ALA A 151 -17.065 -0.822 1.116 1.00 0.94 H new ATOM 0 HA ALA A 151 -17.573 0.339 -0.690 1.00 1.04 H new ATOM 0 HB1 ALA A 151 -19.925 1.065 -1.010 1.00 1.61 H new ATOM 0 HB2 ALA A 151 -19.822 -0.584 -0.350 1.00 1.61 H new ATOM 0 HB3 ALA A 151 -20.235 0.777 0.718 1.00 1.61 H new ATOM 2406 N PHE A 152 -16.718 2.468 0.938 1.00 1.09 N ATOM 2407 CA PHE A 152 -16.337 3.837 1.184 1.00 1.61 C ATOM 2408 C PHE A 152 -15.283 4.345 0.199 1.00 1.38 C ATOM 2409 O PHE A 152 -14.082 4.273 0.453 1.00 1.90 O ATOM 2410 CB PHE A 152 -15.872 3.986 2.631 1.00 2.51 C ATOM 2411 CG PHE A 152 -14.937 2.913 3.143 1.00 3.40 C ATOM 2412 CD1 PHE A 152 -14.059 2.242 2.306 1.00 4.44 C ATOM 2413 CD2 PHE A 152 -14.945 2.587 4.491 1.00 3.42 C ATOM 2414 CE1 PHE A 152 -13.212 1.270 2.804 1.00 5.41 C ATOM 2415 CE2 PHE A 152 -14.102 1.617 4.992 1.00 4.40 C ATOM 2416 CZ PHE A 152 -13.235 0.957 4.147 1.00 5.37 C ATOM 0 H PHE A 152 -16.035 1.777 1.249 1.00 1.09 H new ATOM 0 HA PHE A 152 -17.215 4.463 1.024 1.00 1.61 H new ATOM 0 HB2 PHE A 152 -15.376 4.951 2.734 1.00 2.51 H new ATOM 0 HB3 PHE A 152 -16.752 4.009 3.274 1.00 2.51 H new ATOM 0 HD1 PHE A 152 -14.037 2.481 1.253 1.00 4.44 H new ATOM 0 HD2 PHE A 152 -15.621 3.100 5.158 1.00 3.42 H new ATOM 0 HE1 PHE A 152 -12.532 0.755 2.141 1.00 5.41 H new ATOM 0 HE2 PHE A 152 -14.121 1.375 6.044 1.00 4.40 H new ATOM 0 HZ PHE A 152 -12.575 0.196 4.536 1.00 5.37 H new ATOM 2426 N ASP A 153 -15.758 4.889 -0.920 1.00 1.04 N ATOM 2427 CA ASP A 153 -14.884 5.450 -1.943 1.00 1.18 C ATOM 2428 C ASP A 153 -14.339 6.798 -1.477 1.00 1.01 C ATOM 2429 O ASP A 153 -14.268 7.758 -2.243 1.00 1.40 O ATOM 2430 CB ASP A 153 -15.656 5.630 -3.252 1.00 1.46 C ATOM 2431 CG ASP A 153 -16.285 4.340 -3.744 1.00 2.05 C ATOM 2432 OD1 ASP A 153 -16.113 3.303 -3.070 1.00 2.54 O ATOM 2433 OD2 ASP A 153 -16.949 4.366 -4.802 1.00 2.52 O ATOM 0 H ASP A 153 -16.752 4.952 -1.140 1.00 1.04 H new ATOM 0 HA ASP A 153 -14.053 4.765 -2.112 1.00 1.18 H new ATOM 0 HB2 ASP A 153 -16.436 6.378 -3.109 1.00 1.46 H new ATOM 0 HB3 ASP A 153 -14.981 6.015 -4.017 1.00 1.46 H new ATOM 2438 N LYS A 154 -13.974 6.850 -0.200 1.00 0.68 N ATOM 2439 CA LYS A 154 -13.446 8.052 0.429 1.00 0.59 C ATOM 2440 C LYS A 154 -12.137 8.493 -0.228 1.00 0.52 C ATOM 2441 O LYS A 154 -12.002 8.471 -1.449 1.00 0.67 O ATOM 2442 CB LYS A 154 -13.218 7.761 1.914 1.00 0.63 C ATOM 2443 CG LYS A 154 -14.466 7.290 2.643 1.00 0.79 C ATOM 2444 CD LYS A 154 -14.191 7.042 4.120 1.00 0.93 C ATOM 2445 CE LYS A 154 -13.181 5.920 4.330 1.00 0.94 C ATOM 2446 NZ LYS A 154 -12.869 5.715 5.771 1.00 1.77 N ATOM 0 H LYS A 154 -14.038 6.051 0.431 1.00 0.68 H new ATOM 0 HA LYS A 154 -14.163 8.864 0.308 1.00 0.59 H new ATOM 0 HB2 LYS A 154 -12.443 7.001 2.011 1.00 0.63 H new ATOM 0 HB3 LYS A 154 -12.843 8.663 2.399 1.00 0.63 H new ATOM 0 HG2 LYS A 154 -15.253 8.037 2.539 1.00 0.79 H new ATOM 0 HG3 LYS A 154 -14.834 6.373 2.182 1.00 0.79 H new ATOM 0 HD2 LYS A 154 -13.817 7.958 4.578 1.00 0.93 H new ATOM 0 HD3 LYS A 154 -15.123 6.790 4.626 1.00 0.93 H new ATOM 0 HE2 LYS A 154 -13.574 4.995 3.909 1.00 0.94 H new ATOM 0 HE3 LYS A 154 -12.263 6.152 3.790 1.00 0.94 H new ATOM 0 HZ1 LYS A 154 -12.179 4.944 5.870 1.00 1.77 H new ATOM 0 HZ2 LYS A 154 -12.470 6.590 6.168 1.00 1.77 H new ATOM 0 HZ3 LYS A 154 -13.740 5.468 6.283 1.00 1.77 H new ATOM 2460 N LEU A 155 -11.166 8.881 0.601 1.00 0.55 N ATOM 2461 CA LEU A 155 -9.859 9.309 0.114 1.00 0.57 C ATOM 2462 C LEU A 155 -9.997 10.365 -0.983 1.00 0.51 C ATOM 2463 O LEU A 155 -9.697 10.099 -2.148 1.00 0.61 O ATOM 2464 CB LEU A 155 -9.070 8.113 -0.441 1.00 0.67 C ATOM 2465 CG LEU A 155 -8.943 6.882 0.469 1.00 0.81 C ATOM 2466 CD1 LEU A 155 -10.291 6.207 0.677 1.00 1.81 C ATOM 2467 CD2 LEU A 155 -7.948 5.910 -0.137 1.00 1.95 C ATOM 0 H LEU A 155 -11.264 8.907 1.616 1.00 0.55 H new ATOM 0 HA LEU A 155 -9.323 9.741 0.959 1.00 0.57 H new ATOM 0 HB2 LEU A 155 -9.541 7.799 -1.373 1.00 0.67 H new ATOM 0 HB3 LEU A 155 -8.066 8.455 -0.691 1.00 0.67 H new ATOM 0 HG LEU A 155 -8.586 7.205 1.447 1.00 0.81 H new ATOM 0 HD11 LEU A 155 -10.167 5.339 1.325 1.00 1.81 H new ATOM 0 HD12 LEU A 155 -10.983 6.911 1.140 1.00 1.81 H new ATOM 0 HD13 LEU A 155 -10.690 5.887 -0.285 1.00 1.81 H new ATOM 0 HD21 LEU A 155 -7.856 5.035 0.507 1.00 1.95 H new ATOM 0 HD22 LEU A 155 -8.296 5.600 -1.122 1.00 1.95 H new ATOM 0 HD23 LEU A 155 -6.977 6.395 -0.231 1.00 1.95 H new ATOM 2479 N ASN A 156 -10.440 11.562 -0.613 1.00 0.54 N ATOM 2480 CA ASN A 156 -10.596 12.643 -1.580 1.00 0.54 C ATOM 2481 C ASN A 156 -9.262 12.932 -2.260 1.00 0.53 C ATOM 2482 O ASN A 156 -8.249 13.107 -1.589 1.00 0.75 O ATOM 2483 CB ASN A 156 -11.127 13.905 -0.898 1.00 0.63 C ATOM 2484 CG ASN A 156 -10.219 14.386 0.215 1.00 1.07 C ATOM 2485 OD1 ASN A 156 -9.974 13.672 1.188 1.00 2.09 O ATOM 2486 ND2 ASN A 156 -9.712 15.606 0.076 1.00 1.34 N ATOM 0 H ASN A 156 -10.696 11.807 0.343 1.00 0.54 H new ATOM 0 HA ASN A 156 -11.318 12.332 -2.335 1.00 0.54 H new ATOM 0 HB2 ASN A 156 -11.238 14.696 -1.640 1.00 0.63 H new ATOM 0 HB3 ASN A 156 -12.119 13.706 -0.493 1.00 0.63 H new ATOM 0 HD21 ASN A 156 -9.093 15.986 0.792 1.00 1.34 H new ATOM 0 HD22 ASN A 156 -9.942 16.163 -0.747 1.00 1.34 H new ATOM 2493 N LYS A 157 -9.266 12.963 -3.592 1.00 0.46 N ATOM 2494 CA LYS A 157 -8.046 13.211 -4.361 1.00 0.46 C ATOM 2495 C LYS A 157 -7.227 14.363 -3.783 1.00 0.48 C ATOM 2496 O LYS A 157 -7.774 15.311 -3.220 1.00 0.64 O ATOM 2497 CB LYS A 157 -8.383 13.498 -5.827 1.00 0.54 C ATOM 2498 CG LYS A 157 -9.026 12.327 -6.557 1.00 0.60 C ATOM 2499 CD LYS A 157 -8.159 11.081 -6.493 1.00 1.33 C ATOM 2500 CE LYS A 157 -8.770 9.939 -7.290 1.00 1.77 C ATOM 2501 NZ LYS A 157 -10.128 9.580 -6.797 1.00 2.30 N ATOM 0 H LYS A 157 -10.100 12.820 -4.161 1.00 0.46 H new ATOM 0 HA LYS A 157 -7.440 12.307 -4.299 1.00 0.46 H new ATOM 0 HB2 LYS A 157 -9.055 14.355 -5.873 1.00 0.54 H new ATOM 0 HB3 LYS A 157 -7.470 13.781 -6.350 1.00 0.54 H new ATOM 0 HG2 LYS A 157 -10.001 12.115 -6.118 1.00 0.60 H new ATOM 0 HG3 LYS A 157 -9.198 12.598 -7.599 1.00 0.60 H new ATOM 0 HD2 LYS A 157 -7.166 11.307 -6.881 1.00 1.33 H new ATOM 0 HD3 LYS A 157 -8.034 10.776 -5.454 1.00 1.33 H new ATOM 0 HE2 LYS A 157 -8.829 10.221 -8.341 1.00 1.77 H new ATOM 0 HE3 LYS A 157 -8.120 9.066 -7.230 1.00 1.77 H new ATOM 0 HZ1 LYS A 157 -10.157 8.566 -6.566 1.00 2.30 H new ATOM 0 HZ2 LYS A 157 -10.346 10.136 -5.946 1.00 2.30 H new ATOM 0 HZ3 LYS A 157 -10.831 9.786 -7.535 1.00 2.30 H new ATOM 2515 N TRP A 158 -5.908 14.263 -3.939 1.00 0.45 N ATOM 2516 CA TRP A 158 -4.976 15.276 -3.450 1.00 0.54 C ATOM 2517 C TRP A 158 -5.467 16.684 -3.780 1.00 0.75 C ATOM 2518 O TRP A 158 -5.809 17.428 -2.838 1.00 1.21 O ATOM 2519 CB TRP A 158 -3.597 15.045 -4.072 1.00 0.62 C ATOM 2520 CG TRP A 158 -2.561 16.042 -3.644 1.00 0.71 C ATOM 2521 CD1 TRP A 158 -1.878 16.909 -4.450 1.00 0.98 C ATOM 2522 CD2 TRP A 158 -2.076 16.263 -2.315 1.00 0.72 C ATOM 2523 NE1 TRP A 158 -1.008 17.663 -3.701 1.00 1.04 N ATOM 2524 CE2 TRP A 158 -1.110 17.284 -2.388 1.00 0.89 C ATOM 2525 CE3 TRP A 158 -2.368 15.701 -1.071 1.00 0.81 C ATOM 2526 CZ2 TRP A 158 -0.436 17.754 -1.264 1.00 1.01 C ATOM 2527 CZ3 TRP A 158 -1.698 16.166 0.045 1.00 1.03 C ATOM 2528 CH2 TRP A 158 -0.741 17.184 -0.058 1.00 1.07 C ATOM 2529 OXT TRP A 158 -5.503 17.030 -4.979 1.00 1.47 O ATOM 0 H TRP A 158 -5.456 13.478 -4.408 1.00 0.45 H new ATOM 0 HA TRP A 158 -4.910 15.188 -2.366 1.00 0.54 H new ATOM 0 HB2 TRP A 158 -3.254 14.044 -3.809 1.00 0.62 H new ATOM 0 HB3 TRP A 158 -3.689 15.075 -5.158 1.00 0.62 H new ATOM 0 HD1 TRP A 158 -2.004 16.989 -5.520 1.00 0.98 H new ATOM 0 HE1 TRP A 158 -0.387 18.387 -4.063 1.00 1.04 H new ATOM 0 HE3 TRP A 158 -3.105 14.916 -0.982 1.00 0.81 H new ATOM 0 HZ2 TRP A 158 0.301 18.540 -1.341 1.00 1.01 H new ATOM 0 HZ3 TRP A 158 -1.916 15.738 1.012 1.00 1.03 H new ATOM 0 HH2 TRP A 158 -0.234 17.526 0.832 1.00 1.07 H new TER 2540 TRP A 158