USER MOD reduce.3.24.130724 H: found=0, std=0, add=1099, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 1100 hydrogens (3 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 133 LYS NZ :NH3+ -113:sc= -0.221 (180deg=-1.58) USER MOD Set 1.2: A 137 GLN : amide:sc= -1.55 K(o=-1.8,f=-2.5!) USER MOD Set 2.1: A 100 TYR OH : rot 21:sc= 1.95 USER MOD Set 2.2: A 135 LYS NZ :NH3+ -124:sc= 1.19 (180deg=-0.268) USER MOD Set 3.1: A 94 LYS NZ :NH3+ 159:sc= 0.758 (180deg=-0.583) USER MOD Set 3.2: A 99 TYR OH : rot 11:sc= -1.29! USER MOD Set 4.1: A 75 THR OG1 : rot 128:sc= 1.32 USER MOD Set 4.2: A 77 CYS SG : rot 170:sc= 0.727 USER MOD Set 5.1: A 46 ASN : amide:sc= 0.923! C(o=2.2!,f=-6.2!) USER MOD Set 5.2: A 49 LYS NZ :NH3+ -127:sc= 1.29 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 37:sc= 0.182 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 160:sc= 0.946 (180deg=0.782) USER MOD Single : A 33 THR OG1 : rot 71:sc= 1.15 USER MOD Single : A 34 GLN :FLIP amide:sc= 0 F(o=-0.61,f=0) USER MOD Single : A 36 ASN : amide:sc= -0.0492 K(o=-0.049,f=-3.2!) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 179:sc= 1.22 (180deg=1.17) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 166:sc= 0.394 USER MOD Single : A 51 TYR OH : rot -50:sc= -0.765 USER MOD Single : A 52 SER OG : rot 71:sc= 1.28 USER MOD Single : A 53 GLN : amide:sc= -0.831 X(o=-0.83,f=-1) USER MOD Single : A 58 ASN : amide:sc= -3.32 K(o=-3.3,f=-6.8!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= 0.00278 X(o=0.0028,f=-0.34) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= -0.161 USER MOD Single : A 67 ASN : amide:sc= -3.66! C(o=-3.7!,f=-3.5!) USER MOD Single : A 69 SER OG : rot 99:sc= 1.25 USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 ASN : amide:sc= -0.314 X(o=-0.31,f=-0.28) USER MOD Single : A 86 THR OG1 : rot 75:sc= 1.1 USER MOD Single : A 93 LYS NZ :NH3+ -172:sc= -0.228 (180deg=-0.341) USER MOD Single : A 95 TYR OH : rot 180:sc= -0.249 USER MOD Single : A 97 LYS NZ :NH3+ -141:sc= -0.195 (180deg=-0.631!) USER MOD Single : A 105 SER OG : rot 78:sc= 0.627 USER MOD Single : A 106 ASN :FLIP amide:sc= -0.247 F(o=-1.4!,f=-0.25) USER MOD Single : A 107 MET CE :methyl -107:sc= -0.303 (180deg=-1.61) USER MOD Single : A 111 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.013) USER MOD Single : A 119 TYR OH : rot -160:sc= 1.2 USER MOD Single : A 121 THR OG1 : rot 72:sc= 0.937 USER MOD Single : A 124 LYS NZ :NH3+ -164:sc= 1.28 (180deg=1.2) USER MOD Single : A 126 LYS NZ :NH3+ 162:sc= 0.325 (180deg=-0.191) USER MOD Single : A 128 HIS : no HD1:sc= -0.13 X(o=-0.13,f=0) USER MOD Single : A 130 LYS NZ :NH3+ 148:sc= 1.24 (180deg=1.18) USER MOD Single : A 134 MET CE :methyl -152:sc= -0.184 (180deg=-0.791) USER MOD Single : A 136 TYR OH : rot 180:sc= 0 USER MOD Single : A 139 CYS SG : rot -109:sc= -0.818 USER MOD Single : A 140 ASN : amide:sc=-0.000403 K(o=-0.0004,f=-0.55) USER MOD Single : A 141 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 144 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 145 GLN : amide:sc= -0.398 K(o=-0.4,f=-4.4!) USER MOD Single : A 146 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 17 -19.641 -15.199 11.976 1.00 1.33 N ATOM 2 CA THR A 17 -20.123 -14.792 10.666 1.00 1.20 C ATOM 3 C THR A 17 -19.091 -15.128 9.586 1.00 1.09 C ATOM 4 O THR A 17 -17.888 -14.939 9.783 1.00 1.11 O ATOM 5 CB THR A 17 -20.434 -13.275 10.639 1.00 1.41 C ATOM 6 OG1 THR A 17 -21.293 -12.936 11.741 1.00 2.22 O ATOM 7 CG2 THR A 17 -21.103 -12.864 9.328 1.00 0.92 C ATOM 0 HA THR A 17 -21.043 -15.341 10.462 1.00 1.20 H new ATOM 0 HB THR A 17 -19.489 -12.738 10.723 1.00 1.41 H new ATOM 0 HG1 THR A 17 -21.039 -13.463 12.528 1.00 2.22 H new ATOM 0 HG21 THR A 17 -21.307 -11.793 9.344 1.00 0.92 H new ATOM 0 HG22 THR A 17 -20.441 -13.095 8.494 1.00 0.92 H new ATOM 0 HG23 THR A 17 -22.039 -13.410 9.210 1.00 0.92 H new ATOM 15 N ASP A 18 -19.568 -15.652 8.462 1.00 1.03 N ATOM 16 CA ASP A 18 -18.717 -15.899 7.297 1.00 0.95 C ATOM 17 C ASP A 18 -18.316 -14.558 6.686 1.00 0.84 C ATOM 18 O ASP A 18 -18.683 -13.514 7.231 1.00 0.84 O ATOM 19 CB ASP A 18 -19.475 -16.743 6.259 1.00 0.95 C ATOM 20 CG ASP A 18 -19.895 -18.099 6.793 1.00 1.08 C ATOM 21 OD1 ASP A 18 -19.108 -19.062 6.675 1.00 1.18 O ATOM 22 OD2 ASP A 18 -21.017 -18.211 7.327 1.00 1.16 O ATOM 0 H ASP A 18 -20.544 -15.916 8.330 1.00 1.03 H new ATOM 0 HA ASP A 18 -17.825 -16.446 7.604 1.00 0.95 H new ATOM 0 HB2 ASP A 18 -20.360 -16.197 5.931 1.00 0.95 H new ATOM 0 HB3 ASP A 18 -18.844 -16.883 5.382 1.00 0.95 H new ATOM 27 N PRO A 19 -17.541 -14.533 5.578 1.00 0.78 N ATOM 28 CA PRO A 19 -17.345 -13.304 4.835 1.00 0.70 C ATOM 29 C PRO A 19 -18.668 -12.603 4.606 1.00 0.65 C ATOM 30 O PRO A 19 -19.684 -13.260 4.351 1.00 0.70 O ATOM 31 CB PRO A 19 -16.782 -13.748 3.490 1.00 0.71 C ATOM 32 CG PRO A 19 -16.247 -15.130 3.691 1.00 0.75 C ATOM 33 CD PRO A 19 -16.780 -15.655 5.003 1.00 0.84 C ATOM 0 HA PRO A 19 -16.692 -12.613 5.367 1.00 0.70 H new ATOM 0 HB2 PRO A 19 -17.556 -13.739 2.723 1.00 0.71 H new ATOM 0 HB3 PRO A 19 -15.995 -13.072 3.156 1.00 0.71 H new ATOM 0 HG2 PRO A 19 -16.552 -15.779 2.870 1.00 0.75 H new ATOM 0 HG3 PRO A 19 -15.157 -15.118 3.701 1.00 0.75 H new ATOM 0 HD2 PRO A 19 -17.416 -16.527 4.851 1.00 0.84 H new ATOM 0 HD3 PRO A 19 -15.970 -15.963 5.664 1.00 0.84 H new ATOM 41 N PRO A 20 -18.685 -11.275 4.710 1.00 0.58 N ATOM 42 CA PRO A 20 -19.874 -10.500 4.404 1.00 0.54 C ATOM 43 C PRO A 20 -20.372 -10.866 3.021 1.00 0.55 C ATOM 44 O PRO A 20 -19.587 -11.266 2.158 1.00 0.58 O ATOM 45 CB PRO A 20 -19.392 -9.054 4.463 1.00 0.49 C ATOM 46 CG PRO A 20 -18.198 -9.095 5.357 1.00 0.50 C ATOM 47 CD PRO A 20 -17.556 -10.433 5.119 1.00 0.56 C ATOM 0 HA PRO A 20 -20.704 -10.678 5.087 1.00 0.54 H new ATOM 0 HB2 PRO A 20 -19.133 -8.681 3.472 1.00 0.49 H new ATOM 0 HB3 PRO A 20 -20.163 -8.394 4.861 1.00 0.49 H new ATOM 0 HG2 PRO A 20 -17.508 -8.283 5.126 1.00 0.50 H new ATOM 0 HG3 PRO A 20 -18.487 -8.980 6.402 1.00 0.50 H new ATOM 0 HD2 PRO A 20 -16.791 -10.381 4.345 1.00 0.56 H new ATOM 0 HD3 PRO A 20 -17.074 -10.815 6.019 1.00 0.56 H new ATOM 55 N ALA A 21 -21.661 -10.768 2.814 1.00 0.56 N ATOM 56 CA ALA A 21 -22.258 -11.266 1.602 1.00 0.63 C ATOM 57 C ALA A 21 -21.819 -10.475 0.374 1.00 0.60 C ATOM 58 O ALA A 21 -21.087 -9.495 0.471 1.00 0.60 O ATOM 59 CB ALA A 21 -23.768 -11.266 1.740 1.00 0.72 C ATOM 0 H ALA A 21 -22.318 -10.347 3.471 1.00 0.56 H new ATOM 0 HA ALA A 21 -21.911 -12.288 1.451 1.00 0.63 H new ATOM 0 HB1 ALA A 21 -24.217 -11.643 0.821 1.00 0.72 H new ATOM 0 HB2 ALA A 21 -24.057 -11.905 2.574 1.00 0.72 H new ATOM 0 HB3 ALA A 21 -24.117 -10.250 1.924 1.00 0.72 H new ATOM 65 N ASP A 22 -22.317 -10.935 -0.756 1.00 0.64 N ATOM 66 CA ASP A 22 -22.130 -10.349 -2.080 1.00 0.70 C ATOM 67 C ASP A 22 -22.177 -8.831 -2.049 1.00 0.67 C ATOM 68 O ASP A 22 -21.149 -8.212 -1.829 1.00 1.01 O ATOM 69 CB ASP A 22 -23.185 -10.886 -3.046 1.00 1.01 C ATOM 70 CG ASP A 22 -23.107 -12.384 -3.231 1.00 1.54 C ATOM 71 OD1 ASP A 22 -23.460 -13.124 -2.291 1.00 2.34 O ATOM 72 OD2 ASP A 22 -22.685 -12.831 -4.319 1.00 1.66 O ATOM 0 H ASP A 22 -22.896 -11.774 -0.783 1.00 0.64 H new ATOM 0 HA ASP A 22 -21.137 -10.637 -2.425 1.00 0.70 H new ATOM 0 HB2 ASP A 22 -24.176 -10.622 -2.677 1.00 1.01 H new ATOM 0 HB3 ASP A 22 -23.065 -10.399 -4.014 1.00 1.01 H new ATOM 77 N GLY A 23 -23.308 -8.255 -2.464 1.00 0.72 N ATOM 78 CA GLY A 23 -23.508 -6.805 -2.426 1.00 0.69 C ATOM 79 C GLY A 23 -22.645 -6.065 -1.405 1.00 0.61 C ATOM 80 O GLY A 23 -22.024 -5.070 -1.750 1.00 0.60 O ATOM 0 H GLY A 23 -24.104 -8.775 -2.833 1.00 0.72 H new ATOM 0 HA2 GLY A 23 -23.303 -6.398 -3.416 1.00 0.69 H new ATOM 0 HA3 GLY A 23 -24.557 -6.603 -2.209 1.00 0.69 H new ATOM 84 N ALA A 24 -22.584 -6.555 -0.164 1.00 0.59 N ATOM 85 CA ALA A 24 -21.722 -5.959 0.862 1.00 0.55 C ATOM 86 C ALA A 24 -20.249 -5.983 0.430 1.00 0.48 C ATOM 87 O ALA A 24 -19.586 -4.944 0.373 1.00 0.44 O ATOM 88 CB ALA A 24 -21.890 -6.697 2.188 1.00 0.56 C ATOM 0 H ALA A 24 -23.120 -7.362 0.155 1.00 0.59 H new ATOM 0 HA ALA A 24 -22.023 -4.919 0.991 1.00 0.55 H new ATOM 0 HB1 ALA A 24 -21.244 -6.244 2.941 1.00 0.56 H new ATOM 0 HB2 ALA A 24 -22.928 -6.630 2.513 1.00 0.56 H new ATOM 0 HB3 ALA A 24 -21.617 -7.744 2.059 1.00 0.56 H new ATOM 94 N LEU A 25 -19.757 -7.176 0.116 1.00 0.49 N ATOM 95 CA LEU A 25 -18.382 -7.379 -0.335 1.00 0.48 C ATOM 96 C LEU A 25 -18.065 -6.576 -1.585 1.00 0.51 C ATOM 97 O LEU A 25 -17.085 -5.833 -1.626 1.00 0.53 O ATOM 98 CB LEU A 25 -18.128 -8.867 -0.619 1.00 0.47 C ATOM 99 CG LEU A 25 -17.700 -9.704 0.586 1.00 0.48 C ATOM 100 CD1 LEU A 25 -16.509 -10.579 0.234 1.00 0.53 C ATOM 101 CD2 LEU A 25 -17.370 -8.809 1.759 1.00 0.49 C ATOM 0 H LEU A 25 -20.303 -8.036 0.167 1.00 0.49 H new ATOM 0 HA LEU A 25 -17.731 -7.033 0.468 1.00 0.48 H new ATOM 0 HB2 LEU A 25 -19.038 -9.300 -1.035 1.00 0.47 H new ATOM 0 HB3 LEU A 25 -17.358 -8.946 -1.386 1.00 0.47 H new ATOM 0 HG LEU A 25 -18.530 -10.352 0.867 1.00 0.48 H new ATOM 0 HD11 LEU A 25 -16.220 -11.167 1.105 1.00 0.53 H new ATOM 0 HD12 LEU A 25 -16.778 -11.249 -0.583 1.00 0.53 H new ATOM 0 HD13 LEU A 25 -15.673 -9.950 -0.073 1.00 0.53 H new ATOM 0 HD21 LEU A 25 -17.067 -9.420 2.609 1.00 0.49 H new ATOM 0 HD22 LEU A 25 -16.556 -8.137 1.486 1.00 0.49 H new ATOM 0 HD23 LEU A 25 -18.249 -8.223 2.028 1.00 0.49 H new ATOM 113 N LYS A 26 -18.898 -6.724 -2.601 1.00 0.55 N ATOM 114 CA LYS A 26 -18.646 -6.086 -3.881 1.00 0.59 C ATOM 115 C LYS A 26 -18.819 -4.579 -3.774 1.00 0.52 C ATOM 116 O LYS A 26 -18.312 -3.835 -4.600 1.00 0.53 O ATOM 117 CB LYS A 26 -19.585 -6.627 -4.948 1.00 0.68 C ATOM 118 CG LYS A 26 -20.976 -6.048 -4.860 1.00 0.73 C ATOM 119 CD LYS A 26 -21.900 -6.714 -5.847 1.00 0.82 C ATOM 120 CE LYS A 26 -23.246 -6.022 -5.897 1.00 0.93 C ATOM 121 NZ LYS A 26 -24.111 -6.582 -6.965 1.00 1.53 N ATOM 0 H LYS A 26 -19.753 -7.279 -2.564 1.00 0.55 H new ATOM 0 HA LYS A 26 -17.618 -6.309 -4.165 1.00 0.59 H new ATOM 0 HB2 LYS A 26 -19.170 -6.411 -5.932 1.00 0.68 H new ATOM 0 HB3 LYS A 26 -19.643 -7.712 -4.857 1.00 0.68 H new ATOM 0 HG2 LYS A 26 -21.364 -6.176 -3.849 1.00 0.73 H new ATOM 0 HG3 LYS A 26 -20.941 -4.976 -5.055 1.00 0.73 H new ATOM 0 HD2 LYS A 26 -21.446 -6.702 -6.838 1.00 0.82 H new ATOM 0 HD3 LYS A 26 -22.037 -7.760 -5.571 1.00 0.82 H new ATOM 0 HE2 LYS A 26 -23.744 -6.125 -4.933 1.00 0.93 H new ATOM 0 HE3 LYS A 26 -23.101 -4.955 -6.068 1.00 0.93 H new ATOM 0 HZ1 LYS A 26 -25.024 -6.084 -6.969 1.00 1.53 H new ATOM 0 HZ2 LYS A 26 -23.646 -6.461 -7.887 1.00 1.53 H new ATOM 0 HZ3 LYS A 26 -24.270 -7.594 -6.788 1.00 1.53 H new ATOM 135 N ARG A 27 -19.554 -4.133 -2.766 1.00 0.49 N ATOM 136 CA ARG A 27 -19.710 -2.714 -2.527 1.00 0.45 C ATOM 137 C ARG A 27 -18.437 -2.159 -1.938 1.00 0.39 C ATOM 138 O ARG A 27 -18.014 -1.055 -2.276 1.00 0.37 O ATOM 139 CB ARG A 27 -20.874 -2.433 -1.591 1.00 0.49 C ATOM 140 CG ARG A 27 -21.061 -0.957 -1.300 1.00 0.45 C ATOM 141 CD ARG A 27 -21.188 -0.170 -2.587 1.00 0.51 C ATOM 142 NE ARG A 27 -21.564 1.224 -2.359 1.00 1.11 N ATOM 143 CZ ARG A 27 -21.641 2.139 -3.325 1.00 1.29 C ATOM 144 NH1 ARG A 27 -21.388 1.801 -4.585 1.00 1.01 N ATOM 145 NH2 ARG A 27 -21.989 3.386 -3.032 1.00 2.11 N ATOM 0 H ARG A 27 -20.048 -4.733 -2.106 1.00 0.49 H new ATOM 0 HA ARG A 27 -19.921 -2.229 -3.480 1.00 0.45 H new ATOM 0 HB2 ARG A 27 -21.789 -2.829 -2.030 1.00 0.49 H new ATOM 0 HB3 ARG A 27 -20.715 -2.965 -0.653 1.00 0.49 H new ATOM 0 HG2 ARG A 27 -21.952 -0.812 -0.690 1.00 0.45 H new ATOM 0 HG3 ARG A 27 -20.215 -0.585 -0.722 1.00 0.45 H new ATOM 0 HD2 ARG A 27 -20.240 -0.204 -3.124 1.00 0.51 H new ATOM 0 HD3 ARG A 27 -21.933 -0.644 -3.226 1.00 0.51 H new ATOM 0 HE ARG A 27 -21.780 1.513 -1.405 1.00 1.11 H new ATOM 0 HH11 ARG A 27 -21.134 0.840 -4.814 1.00 1.01 H new ATOM 0 HH12 ARG A 27 -21.447 2.503 -5.323 1.00 1.01 H new ATOM 0 HH21 ARG A 27 -22.197 3.644 -2.067 1.00 2.11 H new ATOM 0 HH22 ARG A 27 -22.048 4.086 -3.771 1.00 2.11 H new ATOM 159 N ALA A 28 -17.824 -2.928 -1.060 1.00 0.39 N ATOM 160 CA ALA A 28 -16.532 -2.562 -0.534 1.00 0.37 C ATOM 161 C ALA A 28 -15.531 -2.535 -1.676 1.00 0.37 C ATOM 162 O ALA A 28 -14.654 -1.672 -1.749 1.00 0.36 O ATOM 163 CB ALA A 28 -16.102 -3.540 0.550 1.00 0.42 C ATOM 0 H ALA A 28 -18.200 -3.805 -0.700 1.00 0.39 H new ATOM 0 HA ALA A 28 -16.583 -1.573 -0.079 1.00 0.37 H new ATOM 0 HB1 ALA A 28 -15.125 -3.249 0.936 1.00 0.42 H new ATOM 0 HB2 ALA A 28 -16.831 -3.528 1.361 1.00 0.42 H new ATOM 0 HB3 ALA A 28 -16.042 -4.544 0.131 1.00 0.42 H new ATOM 169 N GLU A 29 -15.711 -3.480 -2.587 1.00 0.43 N ATOM 170 CA GLU A 29 -14.928 -3.549 -3.804 1.00 0.47 C ATOM 171 C GLU A 29 -15.231 -2.337 -4.688 1.00 0.45 C ATOM 172 O GLU A 29 -14.348 -1.804 -5.364 1.00 0.48 O ATOM 173 CB GLU A 29 -15.258 -4.847 -4.542 1.00 0.55 C ATOM 174 CG GLU A 29 -14.290 -5.172 -5.662 1.00 0.84 C ATOM 175 CD GLU A 29 -14.684 -6.419 -6.417 1.00 1.52 C ATOM 176 OE1 GLU A 29 -15.505 -6.320 -7.354 1.00 2.41 O ATOM 177 OE2 GLU A 29 -14.173 -7.510 -6.078 1.00 1.83 O ATOM 0 H GLU A 29 -16.407 -4.221 -2.499 1.00 0.43 H new ATOM 0 HA GLU A 29 -13.866 -3.539 -3.559 1.00 0.47 H new ATOM 0 HB2 GLU A 29 -15.263 -5.670 -3.827 1.00 0.55 H new ATOM 0 HB3 GLU A 29 -16.265 -4.775 -4.953 1.00 0.55 H new ATOM 0 HG2 GLU A 29 -14.243 -4.331 -6.354 1.00 0.84 H new ATOM 0 HG3 GLU A 29 -13.290 -5.301 -5.249 1.00 0.84 H new ATOM 184 N GLU A 30 -16.484 -1.891 -4.655 1.00 0.43 N ATOM 185 CA GLU A 30 -16.903 -0.722 -5.410 1.00 0.44 C ATOM 186 C GLU A 30 -16.255 0.516 -4.859 1.00 0.41 C ATOM 187 O GLU A 30 -15.836 1.382 -5.602 1.00 0.48 O ATOM 188 CB GLU A 30 -18.412 -0.528 -5.356 1.00 0.47 C ATOM 189 CG GLU A 30 -19.181 -1.333 -6.363 1.00 0.64 C ATOM 190 CD GLU A 30 -18.618 -1.221 -7.765 1.00 1.23 C ATOM 191 OE1 GLU A 30 -19.025 -0.304 -8.507 1.00 1.52 O ATOM 192 OE2 GLU A 30 -17.750 -2.042 -8.120 1.00 1.72 O ATOM 0 H GLU A 30 -17.228 -2.327 -4.109 1.00 0.43 H new ATOM 0 HA GLU A 30 -16.599 -0.887 -6.444 1.00 0.44 H new ATOM 0 HB2 GLU A 30 -18.763 -0.788 -4.357 1.00 0.47 H new ATOM 0 HB3 GLU A 30 -18.635 0.528 -5.507 1.00 0.47 H new ATOM 0 HG2 GLU A 30 -19.181 -2.380 -6.060 1.00 0.64 H new ATOM 0 HG3 GLU A 30 -20.220 -1.003 -6.367 1.00 0.64 H new ATOM 199 N LEU A 31 -16.193 0.598 -3.548 1.00 0.36 N ATOM 200 CA LEU A 31 -15.603 1.741 -2.888 1.00 0.36 C ATOM 201 C LEU A 31 -14.121 1.828 -3.201 1.00 0.37 C ATOM 202 O LEU A 31 -13.579 2.915 -3.334 1.00 0.41 O ATOM 203 CB LEU A 31 -15.847 1.650 -1.392 1.00 0.35 C ATOM 204 CG LEU A 31 -17.323 1.620 -1.008 1.00 0.37 C ATOM 205 CD1 LEU A 31 -17.481 1.299 0.463 1.00 0.37 C ATOM 206 CD2 LEU A 31 -17.998 2.940 -1.326 1.00 0.42 C ATOM 0 H LEU A 31 -16.547 -0.119 -2.915 1.00 0.36 H new ATOM 0 HA LEU A 31 -16.072 2.653 -3.258 1.00 0.36 H new ATOM 0 HB2 LEU A 31 -15.363 0.751 -1.009 1.00 0.35 H new ATOM 0 HB3 LEU A 31 -15.372 2.501 -0.904 1.00 0.35 H new ATOM 0 HG LEU A 31 -17.805 0.839 -1.596 1.00 0.37 H new ATOM 0 HD11 LEU A 31 -18.540 1.282 0.720 1.00 0.37 H new ATOM 0 HD12 LEU A 31 -17.041 0.324 0.672 1.00 0.37 H new ATOM 0 HD13 LEU A 31 -16.976 2.060 1.058 1.00 0.37 H new ATOM 0 HD21 LEU A 31 -19.049 2.889 -1.042 1.00 0.42 H new ATOM 0 HD22 LEU A 31 -17.510 3.741 -0.771 1.00 0.42 H new ATOM 0 HD23 LEU A 31 -17.921 3.140 -2.395 1.00 0.42 H new ATOM 218 N LYS A 32 -13.482 0.677 -3.355 1.00 0.37 N ATOM 219 CA LYS A 32 -12.093 0.630 -3.784 1.00 0.41 C ATOM 220 C LYS A 32 -11.981 1.183 -5.204 1.00 0.43 C ATOM 221 O LYS A 32 -11.005 1.838 -5.561 1.00 0.47 O ATOM 222 CB LYS A 32 -11.580 -0.809 -3.751 1.00 0.44 C ATOM 223 CG LYS A 32 -10.078 -0.934 -3.946 1.00 0.76 C ATOM 224 CD LYS A 32 -9.682 -2.364 -4.270 1.00 0.70 C ATOM 225 CE LYS A 32 -9.864 -2.665 -5.748 1.00 0.67 C ATOM 226 NZ LYS A 32 -8.754 -2.110 -6.569 1.00 1.15 N ATOM 0 H LYS A 32 -13.904 -0.237 -3.189 1.00 0.37 H new ATOM 0 HA LYS A 32 -11.490 1.235 -3.107 1.00 0.41 H new ATOM 0 HB2 LYS A 32 -11.851 -1.259 -2.796 1.00 0.44 H new ATOM 0 HB3 LYS A 32 -12.086 -1.382 -4.528 1.00 0.44 H new ATOM 0 HG2 LYS A 32 -9.757 -0.274 -4.752 1.00 0.76 H new ATOM 0 HG3 LYS A 32 -9.563 -0.607 -3.042 1.00 0.76 H new ATOM 0 HD2 LYS A 32 -8.642 -2.528 -3.988 1.00 0.70 H new ATOM 0 HD3 LYS A 32 -10.285 -3.054 -3.679 1.00 0.70 H new ATOM 0 HE2 LYS A 32 -9.919 -3.744 -5.894 1.00 0.67 H new ATOM 0 HE3 LYS A 32 -10.811 -2.248 -6.089 1.00 0.67 H new ATOM 0 HZ1 LYS A 32 -8.720 -2.602 -7.485 1.00 1.15 H new ATOM 0 HZ2 LYS A 32 -8.913 -1.095 -6.727 1.00 1.15 H new ATOM 0 HZ3 LYS A 32 -7.852 -2.245 -6.070 1.00 1.15 H new ATOM 240 N THR A 33 -13.010 0.920 -5.998 1.00 0.43 N ATOM 241 CA THR A 33 -13.058 1.360 -7.379 1.00 0.47 C ATOM 242 C THR A 33 -13.375 2.857 -7.452 1.00 0.47 C ATOM 243 O THR A 33 -12.692 3.615 -8.140 1.00 0.52 O ATOM 244 CB THR A 33 -14.113 0.550 -8.158 1.00 0.49 C ATOM 245 OG1 THR A 33 -13.910 -0.852 -7.922 1.00 0.50 O ATOM 246 CG2 THR A 33 -14.029 0.825 -9.649 1.00 0.57 C ATOM 0 H THR A 33 -13.833 0.396 -5.700 1.00 0.43 H new ATOM 0 HA THR A 33 -12.082 1.191 -7.833 1.00 0.47 H new ATOM 0 HB THR A 33 -15.100 0.852 -7.808 1.00 0.49 H new ATOM 0 HG1 THR A 33 -14.172 -1.070 -7.003 1.00 0.50 H new ATOM 0 HG21 THR A 33 -14.786 0.239 -10.170 1.00 0.57 H new ATOM 0 HG22 THR A 33 -14.201 1.885 -9.834 1.00 0.57 H new ATOM 0 HG23 THR A 33 -13.040 0.548 -10.015 1.00 0.57 H new ATOM 254 N GLN A 34 -14.413 3.279 -6.734 1.00 0.44 N ATOM 255 CA GLN A 34 -14.752 4.696 -6.628 1.00 0.46 C ATOM 256 C GLN A 34 -13.602 5.502 -6.040 1.00 0.46 C ATOM 257 O GLN A 34 -13.330 6.616 -6.478 1.00 0.51 O ATOM 258 CB GLN A 34 -15.995 4.889 -5.768 1.00 0.48 C ATOM 259 CG GLN A 34 -17.189 4.117 -6.278 1.00 0.50 C ATOM 260 CD GLN A 34 -18.506 4.677 -5.784 1.00 0.75 C ATOM 261 OE1 GLN A 34 -18.988 4.167 -4.665 1.00 1.50 O flip ATOM 262 NE2 GLN A 34 -19.091 5.557 -6.411 1.00 1.31 N flip ATOM 0 H GLN A 34 -15.035 2.659 -6.216 1.00 0.44 H new ATOM 0 HA GLN A 34 -14.949 5.057 -7.637 1.00 0.46 H new ATOM 0 HB2 GLN A 34 -15.776 4.577 -4.747 1.00 0.48 H new ATOM 0 HB3 GLN A 34 -16.244 5.950 -5.731 1.00 0.48 H new ATOM 0 HG2 GLN A 34 -17.182 4.125 -7.368 1.00 0.50 H new ATOM 0 HG3 GLN A 34 -17.103 3.076 -5.966 1.00 0.50 H new ATOM 0 HE21 GLN A 34 -18.686 5.925 -7.272 1.00 1.31 H new ATOM 0 HE22 GLN A 34 -19.982 5.919 -6.071 1.00 1.31 H new ATOM 271 N ALA A 35 -12.928 4.944 -5.048 1.00 0.43 N ATOM 272 CA ALA A 35 -11.799 5.620 -4.431 1.00 0.44 C ATOM 273 C ALA A 35 -10.630 5.697 -5.395 1.00 0.48 C ATOM 274 O ALA A 35 -9.822 6.610 -5.322 1.00 0.50 O ATOM 275 CB ALA A 35 -11.394 4.920 -3.153 1.00 0.42 C ATOM 0 H ALA A 35 -13.142 4.028 -4.654 1.00 0.43 H new ATOM 0 HA ALA A 35 -12.102 6.637 -4.182 1.00 0.44 H new ATOM 0 HB1 ALA A 35 -10.547 5.441 -2.706 1.00 0.42 H new ATOM 0 HB2 ALA A 35 -12.232 4.923 -2.455 1.00 0.42 H new ATOM 0 HB3 ALA A 35 -11.111 3.891 -3.376 1.00 0.42 H new ATOM 281 N ASN A 36 -10.551 4.732 -6.302 1.00 0.53 N ATOM 282 CA ASN A 36 -9.580 4.773 -7.390 1.00 0.61 C ATOM 283 C ASN A 36 -9.909 5.936 -8.320 1.00 0.63 C ATOM 284 O ASN A 36 -9.023 6.615 -8.842 1.00 0.67 O ATOM 285 CB ASN A 36 -9.605 3.448 -8.158 1.00 0.69 C ATOM 286 CG ASN A 36 -8.736 3.457 -9.401 1.00 1.28 C ATOM 287 OD1 ASN A 36 -7.687 4.097 -9.447 1.00 1.88 O ATOM 288 ND2 ASN A 36 -9.181 2.746 -10.426 1.00 2.01 N ATOM 0 H ASN A 36 -11.151 3.907 -6.306 1.00 0.53 H new ATOM 0 HA ASN A 36 -8.579 4.919 -6.983 1.00 0.61 H new ATOM 0 HB2 ASN A 36 -9.273 2.647 -7.497 1.00 0.69 H new ATOM 0 HB3 ASN A 36 -10.632 3.221 -8.443 1.00 0.69 H new ATOM 0 HD21 ASN A 36 -8.648 2.715 -11.295 1.00 2.01 H new ATOM 0 HD22 ASN A 36 -10.057 2.229 -10.346 1.00 2.01 H new ATOM 295 N ASP A 37 -11.202 6.173 -8.493 1.00 0.63 N ATOM 296 CA ASP A 37 -11.689 7.278 -9.305 1.00 0.68 C ATOM 297 C ASP A 37 -11.327 8.600 -8.649 1.00 0.65 C ATOM 298 O ASP A 37 -10.959 9.558 -9.325 1.00 0.68 O ATOM 299 CB ASP A 37 -13.208 7.172 -9.481 1.00 0.73 C ATOM 300 CG ASP A 37 -13.756 8.216 -10.431 1.00 0.90 C ATOM 301 OD1 ASP A 37 -13.372 8.210 -11.618 1.00 1.05 O ATOM 302 OD2 ASP A 37 -14.577 9.046 -9.994 1.00 1.04 O ATOM 0 H ASP A 37 -11.940 5.606 -8.076 1.00 0.63 H new ATOM 0 HA ASP A 37 -11.219 7.231 -10.288 1.00 0.68 H new ATOM 0 HB2 ASP A 37 -13.459 6.179 -9.854 1.00 0.73 H new ATOM 0 HB3 ASP A 37 -13.691 7.280 -8.510 1.00 0.73 H new ATOM 307 N TYR A 38 -11.410 8.633 -7.326 1.00 0.60 N ATOM 308 CA TYR A 38 -11.046 9.818 -6.567 1.00 0.58 C ATOM 309 C TYR A 38 -9.532 9.937 -6.431 1.00 0.57 C ATOM 310 O TYR A 38 -8.993 11.037 -6.333 1.00 0.57 O ATOM 311 CB TYR A 38 -11.726 9.811 -5.199 1.00 0.54 C ATOM 312 CG TYR A 38 -13.177 10.232 -5.264 1.00 0.56 C ATOM 313 CD1 TYR A 38 -14.185 9.302 -5.472 1.00 0.63 C ATOM 314 CD2 TYR A 38 -13.535 11.569 -5.136 1.00 0.59 C ATOM 315 CE1 TYR A 38 -15.507 9.689 -5.550 1.00 0.67 C ATOM 316 CE2 TYR A 38 -14.856 11.963 -5.207 1.00 0.63 C ATOM 317 CZ TYR A 38 -15.837 11.020 -5.416 1.00 0.65 C ATOM 318 OH TYR A 38 -17.155 11.410 -5.501 1.00 0.71 O ATOM 0 H TYR A 38 -11.728 7.849 -6.756 1.00 0.60 H new ATOM 0 HA TYR A 38 -11.397 10.694 -7.113 1.00 0.58 H new ATOM 0 HB2 TYR A 38 -11.661 8.810 -4.771 1.00 0.54 H new ATOM 0 HB3 TYR A 38 -11.188 10.480 -4.527 1.00 0.54 H new ATOM 0 HD1 TYR A 38 -13.931 8.257 -5.575 1.00 0.63 H new ATOM 0 HD2 TYR A 38 -12.767 12.312 -4.978 1.00 0.59 H new ATOM 0 HE1 TYR A 38 -16.279 8.952 -5.715 1.00 0.67 H new ATOM 0 HE2 TYR A 38 -15.118 13.005 -5.099 1.00 0.63 H new ATOM 0 HH TYR A 38 -17.217 12.381 -5.384 1.00 0.71 H new ATOM 328 N PHE A 39 -8.850 8.801 -6.453 1.00 0.57 N ATOM 329 CA PHE A 39 -7.399 8.764 -6.444 1.00 0.57 C ATOM 330 C PHE A 39 -6.854 9.531 -7.639 1.00 0.63 C ATOM 331 O PHE A 39 -6.029 10.434 -7.496 1.00 0.67 O ATOM 332 CB PHE A 39 -6.933 7.305 -6.475 1.00 0.58 C ATOM 333 CG PHE A 39 -5.471 7.123 -6.745 1.00 0.58 C ATOM 334 CD1 PHE A 39 -4.546 7.248 -5.728 1.00 0.55 C ATOM 335 CD2 PHE A 39 -5.028 6.814 -8.020 1.00 0.70 C ATOM 336 CE1 PHE A 39 -3.202 7.071 -5.975 1.00 0.59 C ATOM 337 CE2 PHE A 39 -3.687 6.637 -8.275 1.00 0.73 C ATOM 338 CZ PHE A 39 -2.769 6.764 -7.251 1.00 0.65 C ATOM 0 H PHE A 39 -9.289 7.881 -6.478 1.00 0.57 H new ATOM 0 HA PHE A 39 -7.022 9.236 -5.537 1.00 0.57 H new ATOM 0 HB2 PHE A 39 -7.173 6.840 -5.519 1.00 0.58 H new ATOM 0 HB3 PHE A 39 -7.499 6.773 -7.239 1.00 0.58 H new ATOM 0 HD1 PHE A 39 -4.879 7.487 -4.729 1.00 0.55 H new ATOM 0 HD2 PHE A 39 -5.743 6.711 -8.823 1.00 0.70 H new ATOM 0 HE1 PHE A 39 -2.487 7.172 -5.172 1.00 0.59 H new ATOM 0 HE2 PHE A 39 -3.353 6.399 -9.274 1.00 0.73 H new ATOM 0 HZ PHE A 39 -1.716 6.624 -7.447 1.00 0.65 H new ATOM 348 N LYS A 40 -7.349 9.183 -8.820 1.00 0.66 N ATOM 349 CA LYS A 40 -6.951 9.858 -10.044 1.00 0.74 C ATOM 350 C LYS A 40 -7.664 11.203 -10.174 1.00 0.73 C ATOM 351 O LYS A 40 -7.293 12.038 -10.997 1.00 0.79 O ATOM 352 CB LYS A 40 -7.231 8.967 -11.256 1.00 0.82 C ATOM 353 CG LYS A 40 -8.680 8.526 -11.379 1.00 1.18 C ATOM 354 CD LYS A 40 -8.851 7.487 -12.473 1.00 1.09 C ATOM 355 CE LYS A 40 -8.135 6.191 -12.131 1.00 1.56 C ATOM 356 NZ LYS A 40 -8.119 5.246 -13.279 1.00 2.26 N ATOM 0 H LYS A 40 -8.029 8.434 -8.954 1.00 0.66 H new ATOM 0 HA LYS A 40 -5.879 10.051 -10.003 1.00 0.74 H new ATOM 0 HB2 LYS A 40 -6.947 9.504 -12.161 1.00 0.82 H new ATOM 0 HB3 LYS A 40 -6.597 8.082 -11.198 1.00 0.82 H new ATOM 0 HG2 LYS A 40 -9.019 8.115 -10.428 1.00 1.18 H new ATOM 0 HG3 LYS A 40 -9.308 9.390 -11.594 1.00 1.18 H new ATOM 0 HD2 LYS A 40 -9.912 7.288 -12.624 1.00 1.09 H new ATOM 0 HD3 LYS A 40 -8.463 7.880 -13.413 1.00 1.09 H new ATOM 0 HE2 LYS A 40 -7.111 6.411 -11.828 1.00 1.56 H new ATOM 0 HE3 LYS A 40 -8.625 5.719 -11.279 1.00 1.56 H new ATOM 0 HZ1 LYS A 40 -7.607 4.382 -13.010 1.00 2.26 H new ATOM 0 HZ2 LYS A 40 -9.095 5.002 -13.542 1.00 2.26 H new ATOM 0 HZ3 LYS A 40 -7.644 5.692 -14.089 1.00 2.26 H new ATOM 370 N ALA A 41 -8.686 11.411 -9.348 1.00 0.68 N ATOM 371 CA ALA A 41 -9.359 12.702 -9.286 1.00 0.70 C ATOM 372 C ALA A 41 -8.576 13.658 -8.395 1.00 0.71 C ATOM 373 O ALA A 41 -8.890 14.846 -8.315 1.00 0.78 O ATOM 374 CB ALA A 41 -10.776 12.560 -8.764 1.00 0.68 C ATOM 0 H ALA A 41 -9.064 10.705 -8.716 1.00 0.68 H new ATOM 0 HA ALA A 41 -9.406 13.104 -10.298 1.00 0.70 H new ATOM 0 HB1 ALA A 41 -11.251 13.540 -8.730 1.00 0.68 H new ATOM 0 HB2 ALA A 41 -11.343 11.905 -9.425 1.00 0.68 H new ATOM 0 HB3 ALA A 41 -10.753 12.133 -7.762 1.00 0.68 H new ATOM 380 N LYS A 42 -7.571 13.099 -7.708 1.00 0.68 N ATOM 381 CA LYS A 42 -6.666 13.856 -6.836 1.00 0.70 C ATOM 382 C LYS A 42 -7.323 14.169 -5.496 1.00 0.66 C ATOM 383 O LYS A 42 -6.885 15.058 -4.768 1.00 0.70 O ATOM 384 CB LYS A 42 -6.177 15.141 -7.513 1.00 0.82 C ATOM 385 CG LYS A 42 -5.344 14.897 -8.761 1.00 0.96 C ATOM 386 CD LYS A 42 -4.111 14.070 -8.450 1.00 1.41 C ATOM 387 CE LYS A 42 -3.285 13.817 -9.699 1.00 1.57 C ATOM 388 NZ LYS A 42 -2.065 13.022 -9.408 1.00 2.30 N ATOM 0 H LYS A 42 -7.362 12.101 -7.743 1.00 0.68 H new ATOM 0 HA LYS A 42 -5.796 13.226 -6.648 1.00 0.70 H new ATOM 0 HB2 LYS A 42 -7.040 15.753 -7.777 1.00 0.82 H new ATOM 0 HB3 LYS A 42 -5.586 15.715 -6.799 1.00 0.82 H new ATOM 0 HG2 LYS A 42 -5.948 14.385 -9.509 1.00 0.96 H new ATOM 0 HG3 LYS A 42 -5.044 15.852 -9.193 1.00 0.96 H new ATOM 0 HD2 LYS A 42 -3.502 14.586 -7.708 1.00 1.41 H new ATOM 0 HD3 LYS A 42 -4.410 13.118 -8.011 1.00 1.41 H new ATOM 0 HE2 LYS A 42 -3.893 13.291 -10.435 1.00 1.57 H new ATOM 0 HE3 LYS A 42 -2.999 14.770 -10.144 1.00 1.57 H new ATOM 0 HZ1 LYS A 42 -1.530 12.872 -10.287 1.00 2.30 H new ATOM 0 HZ2 LYS A 42 -1.471 13.534 -8.725 1.00 2.30 H new ATOM 0 HZ3 LYS A 42 -2.338 12.102 -9.008 1.00 2.30 H new ATOM 402 N ASP A 43 -8.358 13.408 -5.168 1.00 0.61 N ATOM 403 CA ASP A 43 -9.034 13.538 -3.886 1.00 0.58 C ATOM 404 C ASP A 43 -8.776 12.288 -3.060 1.00 0.52 C ATOM 405 O ASP A 43 -9.599 11.368 -3.021 1.00 0.54 O ATOM 406 CB ASP A 43 -10.538 13.730 -4.074 1.00 0.61 C ATOM 407 CG ASP A 43 -11.219 14.309 -2.846 1.00 0.61 C ATOM 408 OD1 ASP A 43 -11.085 13.733 -1.744 1.00 0.60 O ATOM 409 OD2 ASP A 43 -11.916 15.339 -2.981 1.00 0.73 O ATOM 0 H ASP A 43 -8.749 12.690 -5.777 1.00 0.61 H new ATOM 0 HA ASP A 43 -8.643 14.416 -3.371 1.00 0.58 H new ATOM 0 HB2 ASP A 43 -10.711 14.390 -4.924 1.00 0.61 H new ATOM 0 HB3 ASP A 43 -10.994 12.770 -4.317 1.00 0.61 H new ATOM 414 N TYR A 44 -7.612 12.237 -2.433 1.00 0.48 N ATOM 415 CA TYR A 44 -7.207 11.075 -1.663 1.00 0.45 C ATOM 416 C TYR A 44 -8.006 10.964 -0.378 1.00 0.44 C ATOM 417 O TYR A 44 -8.064 9.905 0.233 1.00 0.43 O ATOM 418 CB TYR A 44 -5.712 11.144 -1.363 1.00 0.45 C ATOM 419 CG TYR A 44 -4.867 11.290 -2.607 1.00 0.48 C ATOM 420 CD1 TYR A 44 -4.792 10.262 -3.534 1.00 0.49 C ATOM 421 CD2 TYR A 44 -4.143 12.451 -2.852 1.00 0.57 C ATOM 422 CE1 TYR A 44 -4.017 10.382 -4.669 1.00 0.57 C ATOM 423 CE2 TYR A 44 -3.368 12.580 -3.988 1.00 0.65 C ATOM 424 CZ TYR A 44 -3.308 11.541 -4.894 1.00 0.64 C ATOM 425 OH TYR A 44 -2.526 11.654 -6.021 1.00 0.75 O ATOM 0 H TYR A 44 -6.928 12.993 -2.443 1.00 0.48 H new ATOM 0 HA TYR A 44 -7.408 10.183 -2.256 1.00 0.45 H new ATOM 0 HB2 TYR A 44 -5.519 11.986 -0.698 1.00 0.45 H new ATOM 0 HB3 TYR A 44 -5.412 10.242 -0.830 1.00 0.45 H new ATOM 0 HD1 TYR A 44 -5.349 9.352 -3.365 1.00 0.49 H new ATOM 0 HD2 TYR A 44 -4.187 13.265 -2.143 1.00 0.57 H new ATOM 0 HE1 TYR A 44 -3.966 9.570 -5.379 1.00 0.57 H new ATOM 0 HE2 TYR A 44 -2.812 13.489 -4.166 1.00 0.65 H new ATOM 0 HH TYR A 44 -2.278 12.593 -6.154 1.00 0.75 H new ATOM 435 N GLU A 45 -8.648 12.053 -0.002 1.00 0.48 N ATOM 436 CA GLU A 45 -9.419 12.112 1.227 1.00 0.50 C ATOM 437 C GLU A 45 -10.705 11.352 1.092 1.00 0.46 C ATOM 438 O GLU A 45 -11.046 10.528 1.944 1.00 0.43 O ATOM 439 CB GLU A 45 -9.694 13.559 1.559 1.00 0.61 C ATOM 440 CG GLU A 45 -8.405 14.299 1.664 1.00 0.76 C ATOM 441 CD GLU A 45 -8.552 15.804 1.705 1.00 0.87 C ATOM 442 OE1 GLU A 45 -8.816 16.343 2.798 1.00 1.47 O ATOM 443 OE2 GLU A 45 -8.452 16.449 0.640 1.00 1.17 O ATOM 0 H GLU A 45 -8.651 12.921 -0.538 1.00 0.48 H new ATOM 0 HA GLU A 45 -8.848 11.650 2.032 1.00 0.50 H new ATOM 0 HB2 GLU A 45 -10.321 14.007 0.788 1.00 0.61 H new ATOM 0 HB3 GLU A 45 -10.244 13.630 2.498 1.00 0.61 H new ATOM 0 HG2 GLU A 45 -7.884 13.972 2.564 1.00 0.76 H new ATOM 0 HG3 GLU A 45 -7.775 14.030 0.816 1.00 0.76 H new ATOM 450 N ASN A 46 -11.422 11.621 0.022 1.00 0.48 N ATOM 451 CA ASN A 46 -12.635 10.901 -0.221 1.00 0.48 C ATOM 452 C ASN A 46 -12.315 9.446 -0.518 1.00 0.43 C ATOM 453 O ASN A 46 -13.084 8.547 -0.180 1.00 0.43 O ATOM 454 CB ASN A 46 -13.452 11.517 -1.357 1.00 0.53 C ATOM 455 CG ASN A 46 -14.289 12.693 -0.901 1.00 0.60 C ATOM 456 OD1 ASN A 46 -15.447 12.532 -0.521 1.00 0.66 O ATOM 457 ND2 ASN A 46 -13.712 13.879 -0.929 1.00 0.63 N ATOM 0 H ASN A 46 -11.184 12.323 -0.679 1.00 0.48 H new ATOM 0 HA ASN A 46 -13.248 10.962 0.678 1.00 0.48 H new ATOM 0 HB2 ASN A 46 -12.778 11.841 -2.150 1.00 0.53 H new ATOM 0 HB3 ASN A 46 -14.104 10.756 -1.785 1.00 0.53 H new ATOM 0 HD21 ASN A 46 -14.229 14.705 -0.628 1.00 0.63 H new ATOM 0 HD22 ASN A 46 -12.749 13.970 -1.251 1.00 0.63 H new ATOM 464 N ALA A 47 -11.160 9.228 -1.141 1.00 0.41 N ATOM 465 CA ALA A 47 -10.660 7.885 -1.383 1.00 0.38 C ATOM 466 C ALA A 47 -10.432 7.160 -0.056 1.00 0.34 C ATOM 467 O ALA A 47 -10.911 6.043 0.138 1.00 0.32 O ATOM 468 CB ALA A 47 -9.378 7.943 -2.197 1.00 0.40 C ATOM 0 H ALA A 47 -10.553 9.971 -1.488 1.00 0.41 H new ATOM 0 HA ALA A 47 -11.402 7.327 -1.953 1.00 0.38 H new ATOM 0 HB1 ALA A 47 -9.012 6.931 -2.372 1.00 0.40 H new ATOM 0 HB2 ALA A 47 -9.576 8.428 -3.153 1.00 0.40 H new ATOM 0 HB3 ALA A 47 -8.625 8.511 -1.650 1.00 0.40 H new ATOM 474 N ILE A 48 -9.715 7.820 0.857 1.00 0.34 N ATOM 475 CA ILE A 48 -9.501 7.310 2.215 1.00 0.32 C ATOM 476 C ILE A 48 -10.829 6.912 2.854 1.00 0.29 C ATOM 477 O ILE A 48 -10.960 5.834 3.435 1.00 0.28 O ATOM 478 CB ILE A 48 -8.800 8.378 3.097 1.00 0.35 C ATOM 479 CG1 ILE A 48 -7.322 8.494 2.722 1.00 0.37 C ATOM 480 CG2 ILE A 48 -8.944 8.063 4.576 1.00 0.39 C ATOM 481 CD1 ILE A 48 -6.605 9.639 3.406 1.00 0.42 C ATOM 0 H ILE A 48 -9.268 8.719 0.678 1.00 0.34 H new ATOM 0 HA ILE A 48 -8.861 6.431 2.146 1.00 0.32 H new ATOM 0 HB ILE A 48 -9.290 9.334 2.910 1.00 0.35 H new ATOM 0 HG12 ILE A 48 -6.819 7.560 2.974 1.00 0.37 H new ATOM 0 HG13 ILE A 48 -7.240 8.619 1.642 1.00 0.37 H new ATOM 0 HG21 ILE A 48 -8.441 8.832 5.162 1.00 0.39 H new ATOM 0 HG22 ILE A 48 -10.001 8.038 4.841 1.00 0.39 H new ATOM 0 HG23 ILE A 48 -8.494 7.093 4.787 1.00 0.39 H new ATOM 0 HD11 ILE A 48 -5.562 9.656 3.090 1.00 0.42 H new ATOM 0 HD12 ILE A 48 -7.082 10.581 3.135 1.00 0.42 H new ATOM 0 HD13 ILE A 48 -6.654 9.506 4.487 1.00 0.42 H new ATOM 493 N LYS A 49 -11.809 7.792 2.714 1.00 0.31 N ATOM 494 CA LYS A 49 -13.149 7.563 3.231 1.00 0.32 C ATOM 495 C LYS A 49 -13.745 6.268 2.686 1.00 0.27 C ATOM 496 O LYS A 49 -14.206 5.420 3.453 1.00 0.27 O ATOM 497 CB LYS A 49 -14.040 8.746 2.863 1.00 0.39 C ATOM 498 CG LYS A 49 -15.510 8.537 3.181 1.00 0.44 C ATOM 499 CD LYS A 49 -16.308 9.799 2.912 1.00 0.63 C ATOM 500 CE LYS A 49 -16.457 10.060 1.425 1.00 1.02 C ATOM 501 NZ LYS A 49 -17.190 11.322 1.164 1.00 1.50 N ATOM 0 H LYS A 49 -11.697 8.687 2.238 1.00 0.31 H new ATOM 0 HA LYS A 49 -13.089 7.467 4.315 1.00 0.32 H new ATOM 0 HB2 LYS A 49 -13.687 9.631 3.392 1.00 0.39 H new ATOM 0 HB3 LYS A 49 -13.935 8.949 1.797 1.00 0.39 H new ATOM 0 HG2 LYS A 49 -15.903 7.718 2.579 1.00 0.44 H new ATOM 0 HG3 LYS A 49 -15.622 8.247 4.226 1.00 0.44 H new ATOM 0 HD2 LYS A 49 -17.295 9.710 3.367 1.00 0.63 H new ATOM 0 HD3 LYS A 49 -15.815 10.649 3.383 1.00 0.63 H new ATOM 0 HE2 LYS A 49 -15.471 10.109 0.963 1.00 1.02 H new ATOM 0 HE3 LYS A 49 -16.986 9.228 0.960 1.00 1.02 H new ATOM 0 HZ1 LYS A 49 -17.986 11.135 0.521 1.00 1.50 H new ATOM 0 HZ2 LYS A 49 -17.552 11.705 2.061 1.00 1.50 H new ATOM 0 HZ3 LYS A 49 -16.547 12.013 0.727 1.00 1.50 H new ATOM 515 N PHE A 50 -13.722 6.113 1.368 1.00 0.27 N ATOM 516 CA PHE A 50 -14.296 4.934 0.729 1.00 0.27 C ATOM 517 C PHE A 50 -13.552 3.669 1.127 1.00 0.23 C ATOM 518 O PHE A 50 -14.157 2.609 1.263 1.00 0.25 O ATOM 519 CB PHE A 50 -14.309 5.081 -0.792 1.00 0.35 C ATOM 520 CG PHE A 50 -15.271 6.121 -1.285 1.00 0.43 C ATOM 521 CD1 PHE A 50 -16.598 6.102 -0.883 1.00 0.56 C ATOM 522 CD2 PHE A 50 -14.852 7.121 -2.145 1.00 0.71 C ATOM 523 CE1 PHE A 50 -17.488 7.058 -1.330 1.00 0.65 C ATOM 524 CE2 PHE A 50 -15.738 8.080 -2.595 1.00 0.81 C ATOM 525 CZ PHE A 50 -17.056 8.049 -2.189 1.00 0.66 C ATOM 0 H PHE A 50 -13.313 6.787 0.721 1.00 0.27 H new ATOM 0 HA PHE A 50 -15.325 4.849 1.077 1.00 0.27 H new ATOM 0 HB2 PHE A 50 -13.305 5.335 -1.133 1.00 0.35 H new ATOM 0 HB3 PHE A 50 -14.564 4.120 -1.240 1.00 0.35 H new ATOM 0 HD1 PHE A 50 -16.940 5.329 -0.211 1.00 0.56 H new ATOM 0 HD2 PHE A 50 -13.822 7.152 -2.467 1.00 0.71 H new ATOM 0 HE1 PHE A 50 -18.519 7.031 -1.009 1.00 0.65 H new ATOM 0 HE2 PHE A 50 -15.399 8.855 -3.266 1.00 0.81 H new ATOM 0 HZ PHE A 50 -17.749 8.798 -2.542 1.00 0.66 H new ATOM 535 N TYR A 51 -12.245 3.777 1.320 1.00 0.23 N ATOM 536 CA TYR A 51 -11.459 2.635 1.761 1.00 0.25 C ATOM 537 C TYR A 51 -11.866 2.219 3.171 1.00 0.21 C ATOM 538 O TYR A 51 -12.007 1.033 3.454 1.00 0.23 O ATOM 539 CB TYR A 51 -9.960 2.934 1.700 1.00 0.31 C ATOM 540 CG TYR A 51 -9.434 3.073 0.288 1.00 0.43 C ATOM 541 CD1 TYR A 51 -9.778 2.146 -0.688 1.00 0.53 C ATOM 542 CD2 TYR A 51 -8.611 4.132 -0.073 1.00 0.51 C ATOM 543 CE1 TYR A 51 -9.314 2.270 -1.981 1.00 0.67 C ATOM 544 CE2 TYR A 51 -8.146 4.264 -1.367 1.00 0.65 C ATOM 545 CZ TYR A 51 -8.501 3.330 -2.315 1.00 0.72 C ATOM 546 OH TYR A 51 -8.045 3.458 -3.606 1.00 0.88 O ATOM 0 H TYR A 51 -11.711 4.635 1.180 1.00 0.23 H new ATOM 0 HA TYR A 51 -11.661 1.807 1.081 1.00 0.25 H new ATOM 0 HB2 TYR A 51 -9.758 3.854 2.248 1.00 0.31 H new ATOM 0 HB3 TYR A 51 -9.417 2.136 2.206 1.00 0.31 H new ATOM 0 HD1 TYR A 51 -10.419 1.316 -0.430 1.00 0.53 H new ATOM 0 HD2 TYR A 51 -8.330 4.864 0.670 1.00 0.51 H new ATOM 0 HE1 TYR A 51 -9.587 1.539 -2.728 1.00 0.67 H new ATOM 0 HE2 TYR A 51 -7.508 5.094 -1.634 1.00 0.65 H new ATOM 0 HH TYR A 51 -7.657 2.608 -3.902 1.00 0.88 H new ATOM 556 N SER A 52 -12.087 3.197 4.042 1.00 0.20 N ATOM 557 CA SER A 52 -12.543 2.911 5.393 1.00 0.22 C ATOM 558 C SER A 52 -13.931 2.285 5.343 1.00 0.22 C ATOM 559 O SER A 52 -14.207 1.297 6.027 1.00 0.23 O ATOM 560 CB SER A 52 -12.560 4.191 6.231 1.00 0.25 C ATOM 561 OG SER A 52 -11.266 4.776 6.289 1.00 0.56 O ATOM 0 H SER A 52 -11.958 4.188 3.837 1.00 0.20 H new ATOM 0 HA SER A 52 -11.855 2.207 5.861 1.00 0.22 H new ATOM 0 HB2 SER A 52 -13.266 4.902 5.802 1.00 0.25 H new ATOM 0 HB3 SER A 52 -12.907 3.966 7.239 1.00 0.25 H new ATOM 0 HG SER A 52 -11.041 5.159 5.416 1.00 0.56 H new ATOM 567 N GLN A 53 -14.786 2.849 4.496 1.00 0.24 N ATOM 568 CA GLN A 53 -16.127 2.324 4.282 1.00 0.27 C ATOM 569 C GLN A 53 -16.073 0.885 3.770 1.00 0.26 C ATOM 570 O GLN A 53 -16.905 0.054 4.134 1.00 0.30 O ATOM 571 CB GLN A 53 -16.888 3.213 3.298 1.00 0.31 C ATOM 572 CG GLN A 53 -17.313 4.548 3.882 1.00 0.37 C ATOM 573 CD GLN A 53 -18.120 5.376 2.901 1.00 0.49 C ATOM 574 OE1 GLN A 53 -18.786 4.842 2.017 1.00 1.12 O ATOM 575 NE2 GLN A 53 -18.084 6.686 3.071 1.00 0.94 N ATOM 0 H GLN A 53 -14.569 3.678 3.942 1.00 0.24 H new ATOM 0 HA GLN A 53 -16.653 2.323 5.236 1.00 0.27 H new ATOM 0 HB2 GLN A 53 -16.261 3.392 2.425 1.00 0.31 H new ATOM 0 HB3 GLN A 53 -17.773 2.680 2.951 1.00 0.31 H new ATOM 0 HG2 GLN A 53 -17.904 4.377 4.781 1.00 0.37 H new ATOM 0 HG3 GLN A 53 -16.428 5.108 4.184 1.00 0.37 H new ATOM 0 HE21 GLN A 53 -17.518 7.088 3.818 1.00 0.94 H new ATOM 0 HE22 GLN A 53 -18.623 7.295 2.455 1.00 0.94 H new ATOM 584 N ALA A 54 -15.078 0.591 2.944 1.00 0.23 N ATOM 585 CA ALA A 54 -14.875 -0.757 2.423 1.00 0.24 C ATOM 586 C ALA A 54 -14.533 -1.731 3.547 1.00 0.23 C ATOM 587 O ALA A 54 -14.862 -2.913 3.483 1.00 0.25 O ATOM 588 CB ALA A 54 -13.778 -0.757 1.368 1.00 0.25 C ATOM 0 H ALA A 54 -14.393 1.273 2.617 1.00 0.23 H new ATOM 0 HA ALA A 54 -15.805 -1.087 1.961 1.00 0.24 H new ATOM 0 HB1 ALA A 54 -13.638 -1.769 0.989 1.00 0.25 H new ATOM 0 HB2 ALA A 54 -14.062 -0.098 0.548 1.00 0.25 H new ATOM 0 HB3 ALA A 54 -12.847 -0.404 1.811 1.00 0.25 H new ATOM 594 N ILE A 55 -13.891 -1.211 4.582 1.00 0.22 N ATOM 595 CA ILE A 55 -13.516 -2.003 5.753 1.00 0.22 C ATOM 596 C ILE A 55 -14.689 -2.105 6.723 1.00 0.24 C ATOM 597 O ILE A 55 -14.678 -2.872 7.691 1.00 0.27 O ATOM 598 CB ILE A 55 -12.314 -1.364 6.464 1.00 0.23 C ATOM 599 CG1 ILE A 55 -11.183 -1.147 5.465 1.00 0.24 C ATOM 600 CG2 ILE A 55 -11.847 -2.238 7.618 1.00 0.27 C ATOM 601 CD1 ILE A 55 -10.190 -0.105 5.911 1.00 0.28 C ATOM 0 H ILE A 55 -13.614 -0.231 4.638 1.00 0.22 H new ATOM 0 HA ILE A 55 -13.243 -3.004 5.418 1.00 0.22 H new ATOM 0 HB ILE A 55 -12.617 -0.400 6.873 1.00 0.23 H new ATOM 0 HG12 ILE A 55 -10.662 -2.091 5.305 1.00 0.24 H new ATOM 0 HG13 ILE A 55 -11.606 -0.849 4.506 1.00 0.24 H new ATOM 0 HG21 ILE A 55 -10.995 -1.768 8.109 1.00 0.27 H new ATOM 0 HG22 ILE A 55 -12.659 -2.357 8.336 1.00 0.27 H new ATOM 0 HG23 ILE A 55 -11.552 -3.216 7.238 1.00 0.27 H new ATOM 0 HD11 ILE A 55 -9.411 0.002 5.156 1.00 0.28 H new ATOM 0 HD12 ILE A 55 -10.699 0.849 6.044 1.00 0.28 H new ATOM 0 HD13 ILE A 55 -9.741 -0.411 6.856 1.00 0.28 H new ATOM 613 N GLU A 56 -15.699 -1.312 6.466 1.00 0.27 N ATOM 614 CA GLU A 56 -16.935 -1.412 7.208 1.00 0.31 C ATOM 615 C GLU A 56 -17.843 -2.438 6.547 1.00 0.31 C ATOM 616 O GLU A 56 -18.740 -2.994 7.180 1.00 0.34 O ATOM 617 CB GLU A 56 -17.607 -0.048 7.264 1.00 0.34 C ATOM 618 CG GLU A 56 -16.676 1.042 7.763 1.00 0.36 C ATOM 619 CD GLU A 56 -16.334 0.896 9.234 1.00 0.45 C ATOM 620 OE1 GLU A 56 -17.134 0.287 9.978 1.00 0.78 O ATOM 621 OE2 GLU A 56 -15.274 1.404 9.657 1.00 0.81 O ATOM 0 H GLU A 56 -15.691 -0.588 5.748 1.00 0.27 H new ATOM 0 HA GLU A 56 -16.730 -1.738 8.228 1.00 0.31 H new ATOM 0 HB2 GLU A 56 -17.969 0.216 6.270 1.00 0.34 H new ATOM 0 HB3 GLU A 56 -18.478 -0.103 7.916 1.00 0.34 H new ATOM 0 HG2 GLU A 56 -15.757 1.024 7.178 1.00 0.36 H new ATOM 0 HG3 GLU A 56 -17.141 2.014 7.598 1.00 0.36 H new ATOM 628 N LEU A 57 -17.591 -2.688 5.267 1.00 0.31 N ATOM 629 CA LEU A 57 -18.360 -3.660 4.506 1.00 0.33 C ATOM 630 C LEU A 57 -17.680 -5.026 4.540 1.00 0.33 C ATOM 631 O LEU A 57 -18.293 -6.013 4.936 1.00 0.40 O ATOM 632 CB LEU A 57 -18.541 -3.162 3.076 1.00 0.34 C ATOM 633 CG LEU A 57 -19.135 -1.755 2.977 1.00 0.35 C ATOM 634 CD1 LEU A 57 -19.214 -1.304 1.542 1.00 0.37 C ATOM 635 CD2 LEU A 57 -20.508 -1.701 3.622 1.00 0.40 C ATOM 0 H LEU A 57 -16.854 -2.226 4.733 1.00 0.31 H new ATOM 0 HA LEU A 57 -19.345 -3.775 4.958 1.00 0.33 H new ATOM 0 HB2 LEU A 57 -17.574 -3.173 2.573 1.00 0.34 H new ATOM 0 HB3 LEU A 57 -19.187 -3.857 2.539 1.00 0.34 H new ATOM 0 HG LEU A 57 -18.474 -1.076 3.515 1.00 0.35 H new ATOM 0 HD11 LEU A 57 -19.639 -0.301 1.499 1.00 0.37 H new ATOM 0 HD12 LEU A 57 -18.214 -1.293 1.109 1.00 0.37 H new ATOM 0 HD13 LEU A 57 -19.846 -1.991 0.979 1.00 0.37 H new ATOM 0 HD21 LEU A 57 -20.910 -0.691 3.539 1.00 0.40 H new ATOM 0 HD22 LEU A 57 -21.175 -2.399 3.117 1.00 0.40 H new ATOM 0 HD23 LEU A 57 -20.427 -1.974 4.674 1.00 0.40 H new ATOM 647 N ASN A 58 -16.414 -5.085 4.141 1.00 0.29 N ATOM 648 CA ASN A 58 -15.618 -6.285 4.348 1.00 0.30 C ATOM 649 C ASN A 58 -14.699 -5.999 5.531 1.00 0.30 C ATOM 650 O ASN A 58 -14.598 -4.854 5.935 1.00 0.34 O ATOM 651 CB ASN A 58 -14.822 -6.539 3.048 1.00 0.35 C ATOM 652 CG ASN A 58 -13.679 -7.530 3.178 1.00 0.59 C ATOM 653 OD1 ASN A 58 -12.576 -7.170 3.581 1.00 1.53 O ATOM 654 ND2 ASN A 58 -13.920 -8.777 2.805 1.00 0.57 N ATOM 0 H ASN A 58 -15.922 -4.322 3.676 1.00 0.29 H new ATOM 0 HA ASN A 58 -16.214 -7.171 4.565 1.00 0.30 H new ATOM 0 HB2 ASN A 58 -15.510 -6.899 2.283 1.00 0.35 H new ATOM 0 HB3 ASN A 58 -14.421 -5.589 2.694 1.00 0.35 H new ATOM 0 HD21 ASN A 58 -13.177 -9.475 2.847 1.00 0.57 H new ATOM 0 HD22 ASN A 58 -14.849 -9.040 2.475 1.00 0.57 H new ATOM 661 N PRO A 59 -14.011 -6.987 6.114 1.00 0.31 N ATOM 662 CA PRO A 59 -12.992 -6.722 7.115 1.00 0.35 C ATOM 663 C PRO A 59 -11.539 -6.966 6.673 1.00 0.35 C ATOM 664 O PRO A 59 -10.742 -6.035 6.575 1.00 0.35 O ATOM 665 CB PRO A 59 -13.421 -7.702 8.193 1.00 0.41 C ATOM 666 CG PRO A 59 -13.949 -8.896 7.441 1.00 0.41 C ATOM 667 CD PRO A 59 -14.302 -8.420 6.046 1.00 0.34 C ATOM 0 HA PRO A 59 -12.950 -5.671 7.399 1.00 0.35 H new ATOM 0 HB2 PRO A 59 -12.583 -7.977 8.833 1.00 0.41 H new ATOM 0 HB3 PRO A 59 -14.187 -7.270 8.838 1.00 0.41 H new ATOM 0 HG2 PRO A 59 -13.201 -9.688 7.401 1.00 0.41 H new ATOM 0 HG3 PRO A 59 -14.825 -9.310 7.940 1.00 0.41 H new ATOM 0 HD2 PRO A 59 -13.704 -8.919 5.284 1.00 0.34 H new ATOM 0 HD3 PRO A 59 -15.348 -8.610 5.805 1.00 0.34 H new ATOM 675 N SER A 60 -11.214 -8.226 6.402 1.00 0.44 N ATOM 676 CA SER A 60 -9.835 -8.684 6.333 1.00 0.49 C ATOM 677 C SER A 60 -9.193 -8.500 4.958 1.00 0.49 C ATOM 678 O SER A 60 -8.208 -9.169 4.639 1.00 0.68 O ATOM 679 CB SER A 60 -9.800 -10.159 6.732 1.00 0.63 C ATOM 680 OG SER A 60 -10.522 -10.376 7.938 1.00 1.52 O ATOM 0 H SER A 60 -11.902 -8.958 6.224 1.00 0.44 H new ATOM 0 HA SER A 60 -9.250 -8.070 7.018 1.00 0.49 H new ATOM 0 HB2 SER A 60 -10.227 -10.766 5.934 1.00 0.63 H new ATOM 0 HB3 SER A 60 -8.766 -10.481 6.859 1.00 0.63 H new ATOM 0 HG SER A 60 -10.488 -11.327 8.173 1.00 1.52 H new ATOM 686 N ASN A 61 -9.714 -7.595 4.149 1.00 0.43 N ATOM 687 CA ASN A 61 -9.098 -7.326 2.858 1.00 0.45 C ATOM 688 C ASN A 61 -7.928 -6.360 3.002 1.00 0.38 C ATOM 689 O ASN A 61 -8.099 -5.133 3.051 1.00 0.34 O ATOM 690 CB ASN A 61 -10.115 -6.800 1.842 1.00 0.48 C ATOM 691 CG ASN A 61 -10.718 -7.910 0.997 1.00 0.79 C ATOM 692 OD1 ASN A 61 -10.850 -9.050 1.441 1.00 1.76 O ATOM 693 ND2 ASN A 61 -11.081 -7.587 -0.237 1.00 1.07 N ATOM 0 H ASN A 61 -10.546 -7.042 4.355 1.00 0.43 H new ATOM 0 HA ASN A 61 -8.716 -8.273 2.478 1.00 0.45 H new ATOM 0 HB2 ASN A 61 -10.912 -6.274 2.368 1.00 0.48 H new ATOM 0 HB3 ASN A 61 -9.630 -6.073 1.190 1.00 0.48 H new ATOM 0 HD21 ASN A 61 -11.484 -8.294 -0.852 1.00 1.07 H new ATOM 0 HD22 ASN A 61 -10.957 -6.631 -0.572 1.00 1.07 H new ATOM 700 N ALA A 62 -6.732 -6.936 3.075 1.00 0.42 N ATOM 701 CA ALA A 62 -5.501 -6.165 3.172 1.00 0.42 C ATOM 702 C ALA A 62 -5.335 -5.275 1.954 1.00 0.37 C ATOM 703 O ALA A 62 -4.634 -4.268 2.005 1.00 0.38 O ATOM 704 CB ALA A 62 -4.306 -7.089 3.315 1.00 0.52 C ATOM 0 H ALA A 62 -6.591 -7.946 3.069 1.00 0.42 H new ATOM 0 HA ALA A 62 -5.560 -5.533 4.058 1.00 0.42 H new ATOM 0 HB1 ALA A 62 -3.394 -6.496 3.386 1.00 0.52 H new ATOM 0 HB2 ALA A 62 -4.418 -7.692 4.216 1.00 0.52 H new ATOM 0 HB3 ALA A 62 -4.246 -7.744 2.446 1.00 0.52 H new ATOM 710 N ILE A 63 -5.977 -5.666 0.854 1.00 0.36 N ATOM 711 CA ILE A 63 -6.020 -4.848 -0.351 1.00 0.35 C ATOM 712 C ILE A 63 -6.540 -3.450 -0.026 1.00 0.31 C ATOM 713 O ILE A 63 -5.905 -2.453 -0.357 1.00 0.34 O ATOM 714 CB ILE A 63 -6.914 -5.495 -1.436 1.00 0.43 C ATOM 715 CG1 ILE A 63 -6.312 -6.828 -1.890 1.00 0.57 C ATOM 716 CG2 ILE A 63 -7.095 -4.560 -2.626 1.00 0.49 C ATOM 717 CD1 ILE A 63 -4.960 -6.687 -2.547 1.00 0.74 C ATOM 0 H ILE A 63 -6.477 -6.552 0.776 1.00 0.36 H new ATOM 0 HA ILE A 63 -5.004 -4.775 -0.738 1.00 0.35 H new ATOM 0 HB ILE A 63 -7.897 -5.681 -1.002 1.00 0.43 H new ATOM 0 HG12 ILE A 63 -6.221 -7.489 -1.028 1.00 0.57 H new ATOM 0 HG13 ILE A 63 -6.998 -7.308 -2.588 1.00 0.57 H new ATOM 0 HG21 ILE A 63 -7.727 -5.040 -3.373 1.00 0.49 H new ATOM 0 HG22 ILE A 63 -7.565 -3.635 -2.293 1.00 0.49 H new ATOM 0 HG23 ILE A 63 -6.122 -4.336 -3.064 1.00 0.49 H new ATOM 0 HD11 ILE A 63 -4.595 -7.671 -2.843 1.00 0.74 H new ATOM 0 HD12 ILE A 63 -5.048 -6.053 -3.429 1.00 0.74 H new ATOM 0 HD13 ILE A 63 -4.259 -6.236 -1.844 1.00 0.74 H new ATOM 729 N TYR A 64 -7.674 -3.390 0.661 1.00 0.29 N ATOM 730 CA TYR A 64 -8.286 -2.116 1.018 1.00 0.28 C ATOM 731 C TYR A 64 -7.374 -1.333 1.941 1.00 0.30 C ATOM 732 O TYR A 64 -7.173 -0.132 1.762 1.00 0.34 O ATOM 733 CB TYR A 64 -9.626 -2.332 1.713 1.00 0.26 C ATOM 734 CG TYR A 64 -10.647 -3.070 0.887 1.00 0.26 C ATOM 735 CD1 TYR A 64 -10.581 -3.088 -0.500 1.00 0.28 C ATOM 736 CD2 TYR A 64 -11.678 -3.758 1.505 1.00 0.38 C ATOM 737 CE1 TYR A 64 -11.516 -3.776 -1.247 1.00 0.30 C ATOM 738 CE2 TYR A 64 -12.614 -4.448 0.770 1.00 0.43 C ATOM 739 CZ TYR A 64 -12.532 -4.455 -0.607 1.00 0.35 C ATOM 740 OH TYR A 64 -13.462 -5.149 -1.344 1.00 0.42 O ATOM 0 H TYR A 64 -8.189 -4.210 0.982 1.00 0.29 H new ATOM 0 HA TYR A 64 -8.446 -1.556 0.097 1.00 0.28 H new ATOM 0 HB2 TYR A 64 -9.457 -2.885 2.637 1.00 0.26 H new ATOM 0 HB3 TYR A 64 -10.036 -1.362 1.993 1.00 0.26 H new ATOM 0 HD1 TYR A 64 -9.786 -2.556 -1.002 1.00 0.28 H new ATOM 0 HD2 TYR A 64 -11.748 -3.753 2.583 1.00 0.38 H new ATOM 0 HE1 TYR A 64 -11.453 -3.783 -2.325 1.00 0.30 H new ATOM 0 HE2 TYR A 64 -13.409 -4.982 1.269 1.00 0.43 H new ATOM 0 HH TYR A 64 -14.108 -5.572 -0.741 1.00 0.42 H new ATOM 750 N TYR A 65 -6.831 -2.024 2.936 1.00 0.30 N ATOM 751 CA TYR A 65 -5.909 -1.404 3.880 1.00 0.32 C ATOM 752 C TYR A 65 -4.678 -0.861 3.161 1.00 0.33 C ATOM 753 O TYR A 65 -4.228 0.249 3.437 1.00 0.37 O ATOM 754 CB TYR A 65 -5.488 -2.403 4.958 1.00 0.34 C ATOM 755 CG TYR A 65 -6.537 -2.646 6.022 1.00 0.36 C ATOM 756 CD1 TYR A 65 -7.756 -3.249 5.719 1.00 0.37 C ATOM 757 CD2 TYR A 65 -6.298 -2.287 7.343 1.00 0.51 C ATOM 758 CE1 TYR A 65 -8.697 -3.484 6.701 1.00 0.40 C ATOM 759 CE2 TYR A 65 -7.238 -2.517 8.327 1.00 0.58 C ATOM 760 CZ TYR A 65 -8.434 -3.115 8.000 1.00 0.47 C ATOM 761 OH TYR A 65 -9.364 -3.361 8.984 1.00 0.55 O ATOM 0 H TYR A 65 -7.013 -3.012 3.110 1.00 0.30 H new ATOM 0 HA TYR A 65 -6.427 -0.572 4.356 1.00 0.32 H new ATOM 0 HB2 TYR A 65 -5.243 -3.352 4.482 1.00 0.34 H new ATOM 0 HB3 TYR A 65 -4.578 -2.042 5.437 1.00 0.34 H new ATOM 0 HD1 TYR A 65 -7.968 -3.537 4.700 1.00 0.37 H new ATOM 0 HD2 TYR A 65 -5.360 -1.820 7.604 1.00 0.51 H new ATOM 0 HE1 TYR A 65 -9.636 -3.956 6.451 1.00 0.40 H new ATOM 0 HE2 TYR A 65 -7.036 -2.229 9.348 1.00 0.58 H new ATOM 0 HH TYR A 65 -9.022 -3.040 9.845 1.00 0.55 H new ATOM 771 N GLY A 66 -4.150 -1.640 2.228 1.00 0.35 N ATOM 772 CA GLY A 66 -3.001 -1.208 1.457 1.00 0.41 C ATOM 773 C GLY A 66 -3.325 -0.020 0.574 1.00 0.43 C ATOM 774 O GLY A 66 -2.504 0.884 0.411 1.00 0.51 O ATOM 0 H GLY A 66 -4.499 -2.569 1.990 1.00 0.35 H new ATOM 0 HA2 GLY A 66 -2.188 -0.946 2.134 1.00 0.41 H new ATOM 0 HA3 GLY A 66 -2.648 -2.034 0.839 1.00 0.41 H new ATOM 778 N ASN A 67 -4.525 -0.024 0.008 1.00 0.44 N ATOM 779 CA ASN A 67 -4.991 1.085 -0.813 1.00 0.57 C ATOM 780 C ASN A 67 -5.131 2.349 0.024 1.00 0.41 C ATOM 781 O ASN A 67 -4.750 3.437 -0.409 1.00 0.38 O ATOM 782 CB ASN A 67 -6.334 0.759 -1.470 1.00 0.84 C ATOM 783 CG ASN A 67 -6.249 -0.329 -2.522 1.00 1.28 C ATOM 784 OD1 ASN A 67 -7.198 -1.080 -2.722 1.00 2.28 O ATOM 785 ND2 ASN A 67 -5.121 -0.419 -3.209 1.00 1.35 N ATOM 0 H ASN A 67 -5.196 -0.787 0.103 1.00 0.44 H new ATOM 0 HA ASN A 67 -4.249 1.250 -1.594 1.00 0.57 H new ATOM 0 HB2 ASN A 67 -7.041 0.452 -0.699 1.00 0.84 H new ATOM 0 HB3 ASN A 67 -6.734 1.664 -1.927 1.00 0.84 H new ATOM 0 HD21 ASN A 67 -5.020 -1.131 -3.933 1.00 1.35 H new ATOM 0 HD22 ASN A 67 -4.353 0.223 -3.015 1.00 1.35 H new ATOM 792 N ARG A 68 -5.675 2.205 1.230 1.00 0.39 N ATOM 793 CA ARG A 68 -5.842 3.345 2.123 1.00 0.39 C ATOM 794 C ARG A 68 -4.484 3.810 2.634 1.00 0.31 C ATOM 795 O ARG A 68 -4.246 5.011 2.774 1.00 0.32 O ATOM 796 CB ARG A 68 -6.766 3.012 3.299 1.00 0.53 C ATOM 797 CG ARG A 68 -7.202 4.249 4.073 1.00 0.80 C ATOM 798 CD ARG A 68 -8.177 3.924 5.193 1.00 0.48 C ATOM 799 NE ARG A 68 -7.570 3.109 6.244 1.00 0.94 N ATOM 800 CZ ARG A 68 -8.172 2.791 7.389 1.00 1.16 C ATOM 801 NH1 ARG A 68 -9.414 3.203 7.638 1.00 1.42 N ATOM 802 NH2 ARG A 68 -7.525 2.057 8.287 1.00 1.87 N ATOM 0 H ARG A 68 -6.005 1.317 1.608 1.00 0.39 H new ATOM 0 HA ARG A 68 -6.309 4.150 1.555 1.00 0.39 H new ATOM 0 HB2 ARG A 68 -7.648 2.492 2.926 1.00 0.53 H new ATOM 0 HB3 ARG A 68 -6.254 2.327 3.975 1.00 0.53 H new ATOM 0 HG2 ARG A 68 -6.323 4.739 4.492 1.00 0.80 H new ATOM 0 HG3 ARG A 68 -7.666 4.958 3.387 1.00 0.80 H new ATOM 0 HD2 ARG A 68 -8.550 4.852 5.627 1.00 0.48 H new ATOM 0 HD3 ARG A 68 -9.037 3.397 4.780 1.00 0.48 H new ATOM 0 HE ARG A 68 -6.624 2.761 6.091 1.00 0.94 H new ATOM 0 HH11 ARG A 68 -9.912 3.767 6.949 1.00 1.42 H new ATOM 0 HH12 ARG A 68 -9.867 2.955 8.517 1.00 1.42 H new ATOM 0 HH21 ARG A 68 -6.574 1.741 8.098 1.00 1.87 H new ATOM 0 HH22 ARG A 68 -7.979 1.809 9.166 1.00 1.87 H new ATOM 816 N SER A 69 -3.600 2.852 2.902 1.00 0.31 N ATOM 817 CA SER A 69 -2.217 3.146 3.256 1.00 0.32 C ATOM 818 C SER A 69 -1.580 4.017 2.176 1.00 0.27 C ATOM 819 O SER A 69 -0.933 5.017 2.471 1.00 0.27 O ATOM 820 CB SER A 69 -1.428 1.837 3.424 1.00 0.43 C ATOM 821 OG SER A 69 -0.053 2.076 3.683 1.00 1.16 O ATOM 0 H SER A 69 -3.822 1.857 2.880 1.00 0.31 H new ATOM 0 HA SER A 69 -2.196 3.688 4.201 1.00 0.32 H new ATOM 0 HB2 SER A 69 -1.856 1.258 4.242 1.00 0.43 H new ATOM 0 HB3 SER A 69 -1.528 1.235 2.521 1.00 0.43 H new ATOM 0 HG SER A 69 0.116 2.001 4.645 1.00 1.16 H new ATOM 827 N LEU A 70 -1.805 3.638 0.920 1.00 0.28 N ATOM 828 CA LEU A 70 -1.299 4.384 -0.224 1.00 0.31 C ATOM 829 C LEU A 70 -1.900 5.793 -0.259 1.00 0.31 C ATOM 830 O LEU A 70 -1.230 6.750 -0.637 1.00 0.38 O ATOM 831 CB LEU A 70 -1.608 3.601 -1.516 1.00 0.36 C ATOM 832 CG LEU A 70 -1.068 4.182 -2.836 1.00 0.46 C ATOM 833 CD1 LEU A 70 -1.994 5.262 -3.376 1.00 1.25 C ATOM 834 CD2 LEU A 70 0.340 4.732 -2.650 1.00 1.16 C ATOM 0 H LEU A 70 -2.342 2.808 0.670 1.00 0.28 H new ATOM 0 HA LEU A 70 -0.219 4.499 -0.138 1.00 0.31 H new ATOM 0 HB2 LEU A 70 -1.211 2.592 -1.403 1.00 0.36 H new ATOM 0 HB3 LEU A 70 -2.690 3.509 -1.605 1.00 0.36 H new ATOM 0 HG LEU A 70 -1.027 3.372 -3.565 1.00 0.46 H new ATOM 0 HD11 LEU A 70 -1.589 5.655 -4.308 1.00 1.25 H new ATOM 0 HD12 LEU A 70 -2.981 4.837 -3.559 1.00 1.25 H new ATOM 0 HD13 LEU A 70 -2.076 6.068 -2.647 1.00 1.25 H new ATOM 0 HD21 LEU A 70 0.700 5.137 -3.596 1.00 1.16 H new ATOM 0 HD22 LEU A 70 0.326 5.522 -1.899 1.00 1.16 H new ATOM 0 HD23 LEU A 70 1.003 3.931 -2.322 1.00 1.16 H new ATOM 846 N ALA A 71 -3.154 5.921 0.152 1.00 0.26 N ATOM 847 CA ALA A 71 -3.813 7.217 0.194 1.00 0.30 C ATOM 848 C ALA A 71 -3.185 8.089 1.275 1.00 0.29 C ATOM 849 O ALA A 71 -2.892 9.263 1.048 1.00 0.36 O ATOM 850 CB ALA A 71 -5.305 7.050 0.424 1.00 0.32 C ATOM 0 H ALA A 71 -3.735 5.142 0.461 1.00 0.26 H new ATOM 0 HA ALA A 71 -3.677 7.713 -0.767 1.00 0.30 H new ATOM 0 HB1 ALA A 71 -5.781 8.030 0.452 1.00 0.32 H new ATOM 0 HB2 ALA A 71 -5.735 6.462 -0.387 1.00 0.32 H new ATOM 0 HB3 ALA A 71 -5.472 6.538 1.372 1.00 0.32 H new ATOM 856 N TYR A 72 -2.967 7.500 2.448 1.00 0.25 N ATOM 857 CA TYR A 72 -2.230 8.166 3.517 1.00 0.25 C ATOM 858 C TYR A 72 -0.806 8.498 3.059 1.00 0.26 C ATOM 859 O TYR A 72 -0.205 9.486 3.493 1.00 0.30 O ATOM 860 CB TYR A 72 -2.179 7.277 4.763 1.00 0.25 C ATOM 861 CG TYR A 72 -3.507 7.110 5.476 1.00 0.29 C ATOM 862 CD1 TYR A 72 -4.271 8.214 5.831 1.00 0.34 C ATOM 863 CD2 TYR A 72 -3.990 5.849 5.806 1.00 0.41 C ATOM 864 CE1 TYR A 72 -5.476 8.071 6.490 1.00 0.41 C ATOM 865 CE2 TYR A 72 -5.195 5.698 6.468 1.00 0.47 C ATOM 866 CZ TYR A 72 -5.934 6.812 6.807 1.00 0.43 C ATOM 867 OH TYR A 72 -7.135 6.667 7.469 1.00 0.52 O ATOM 0 H TYR A 72 -3.291 6.562 2.682 1.00 0.25 H new ATOM 0 HA TYR A 72 -2.747 9.093 3.763 1.00 0.25 H new ATOM 0 HB2 TYR A 72 -1.810 6.292 4.476 1.00 0.25 H new ATOM 0 HB3 TYR A 72 -1.456 7.697 5.463 1.00 0.25 H new ATOM 0 HD1 TYR A 72 -3.916 9.204 5.587 1.00 0.34 H new ATOM 0 HD2 TYR A 72 -3.415 4.974 5.541 1.00 0.41 H new ATOM 0 HE1 TYR A 72 -6.056 8.942 6.755 1.00 0.41 H new ATOM 0 HE2 TYR A 72 -5.556 4.711 6.719 1.00 0.47 H new ATOM 0 HH TYR A 72 -7.314 5.715 7.617 1.00 0.52 H new ATOM 877 N LEU A 73 -0.279 7.655 2.178 1.00 0.26 N ATOM 878 CA LEU A 73 1.049 7.838 1.601 1.00 0.30 C ATOM 879 C LEU A 73 1.062 8.959 0.565 1.00 0.37 C ATOM 880 O LEU A 73 2.119 9.497 0.240 1.00 0.50 O ATOM 881 CB LEU A 73 1.526 6.527 0.966 1.00 0.31 C ATOM 882 CG LEU A 73 2.159 5.533 1.942 1.00 0.31 C ATOM 883 CD1 LEU A 73 2.174 4.130 1.350 1.00 0.33 C ATOM 884 CD2 LEU A 73 3.576 5.967 2.281 1.00 0.43 C ATOM 0 H LEU A 73 -0.762 6.822 1.842 1.00 0.26 H new ATOM 0 HA LEU A 73 1.729 8.122 2.404 1.00 0.30 H new ATOM 0 HB2 LEU A 73 0.678 6.046 0.479 1.00 0.31 H new ATOM 0 HB3 LEU A 73 2.251 6.760 0.186 1.00 0.31 H new ATOM 0 HG LEU A 73 1.560 5.517 2.853 1.00 0.31 H new ATOM 0 HD11 LEU A 73 2.628 3.440 2.061 1.00 0.33 H new ATOM 0 HD12 LEU A 73 1.153 3.813 1.139 1.00 0.33 H new ATOM 0 HD13 LEU A 73 2.752 4.131 0.426 1.00 0.33 H new ATOM 0 HD21 LEU A 73 4.019 5.254 2.976 1.00 0.43 H new ATOM 0 HD22 LEU A 73 4.173 6.004 1.370 1.00 0.43 H new ATOM 0 HD23 LEU A 73 3.554 6.955 2.740 1.00 0.43 H new ATOM 896 N ARG A 74 -0.105 9.305 0.044 1.00 0.38 N ATOM 897 CA ARG A 74 -0.210 10.392 -0.918 1.00 0.48 C ATOM 898 C ARG A 74 -0.257 11.731 -0.201 1.00 0.53 C ATOM 899 O ARG A 74 0.311 12.718 -0.666 1.00 0.67 O ATOM 900 CB ARG A 74 -1.465 10.249 -1.782 1.00 0.51 C ATOM 901 CG ARG A 74 -1.474 9.035 -2.690 1.00 0.48 C ATOM 902 CD ARG A 74 -0.291 9.036 -3.645 1.00 1.19 C ATOM 903 NE ARG A 74 -0.362 10.127 -4.619 1.00 1.95 N ATOM 904 CZ ARG A 74 0.691 10.839 -5.026 1.00 2.78 C ATOM 905 NH1 ARG A 74 1.893 10.626 -4.493 1.00 3.07 N ATOM 906 NH2 ARG A 74 0.536 11.776 -5.952 1.00 3.53 N ATOM 0 H ARG A 74 -0.990 8.851 0.270 1.00 0.38 H new ATOM 0 HA ARG A 74 0.670 10.346 -1.560 1.00 0.48 H new ATOM 0 HB2 ARG A 74 -2.336 10.203 -1.129 1.00 0.51 H new ATOM 0 HB3 ARG A 74 -1.572 11.144 -2.394 1.00 0.51 H new ATOM 0 HG2 ARG A 74 -1.452 8.128 -2.085 1.00 0.48 H new ATOM 0 HG3 ARG A 74 -2.402 9.015 -3.261 1.00 0.48 H new ATOM 0 HD2 ARG A 74 0.634 9.122 -3.074 1.00 1.19 H new ATOM 0 HD3 ARG A 74 -0.253 8.083 -4.173 1.00 1.19 H new ATOM 0 HE ARG A 74 -1.275 10.358 -5.012 1.00 1.95 H new ATOM 0 HH11 ARG A 74 2.012 9.916 -3.770 1.00 3.07 H new ATOM 0 HH12 ARG A 74 2.695 11.173 -4.808 1.00 3.07 H new ATOM 0 HH21 ARG A 74 -0.386 11.951 -6.351 1.00 3.53 H new ATOM 0 HH22 ARG A 74 1.339 12.322 -6.265 1.00 3.53 H new ATOM 920 N THR A 75 -0.941 11.754 0.934 1.00 0.48 N ATOM 921 CA THR A 75 -1.182 12.990 1.650 1.00 0.57 C ATOM 922 C THR A 75 0.017 13.381 2.520 1.00 0.70 C ATOM 923 O THR A 75 0.888 14.140 2.089 1.00 1.53 O ATOM 924 CB THR A 75 -2.454 12.861 2.515 1.00 0.54 C ATOM 925 OG1 THR A 75 -2.335 11.737 3.399 1.00 0.55 O ATOM 926 CG2 THR A 75 -3.682 12.668 1.639 1.00 0.49 C ATOM 0 H THR A 75 -1.338 10.926 1.377 1.00 0.48 H new ATOM 0 HA THR A 75 -1.327 13.781 0.914 1.00 0.57 H new ATOM 0 HB THR A 75 -2.564 13.779 3.093 1.00 0.54 H new ATOM 0 HG1 THR A 75 -2.519 12.023 4.318 1.00 0.55 H new ATOM 0 HG21 THR A 75 -4.568 12.579 2.268 1.00 0.49 H new ATOM 0 HG22 THR A 75 -3.793 13.525 0.975 1.00 0.49 H new ATOM 0 HG23 THR A 75 -3.567 11.761 1.045 1.00 0.49 H new ATOM 934 N GLU A 76 0.071 12.826 3.724 1.00 0.57 N ATOM 935 CA GLU A 76 1.121 13.139 4.694 1.00 0.59 C ATOM 936 C GLU A 76 0.947 12.284 5.948 1.00 0.42 C ATOM 937 O GLU A 76 1.476 12.599 7.014 1.00 0.45 O ATOM 938 CB GLU A 76 1.049 14.616 5.087 1.00 0.86 C ATOM 939 CG GLU A 76 -0.301 15.009 5.661 1.00 1.85 C ATOM 940 CD GLU A 76 -0.311 16.404 6.236 1.00 2.38 C ATOM 941 OE1 GLU A 76 0.118 16.577 7.391 1.00 2.71 O ATOM 942 OE2 GLU A 76 -0.754 17.336 5.527 1.00 2.77 O ATOM 0 H GLU A 76 -0.611 12.145 4.059 1.00 0.57 H new ATOM 0 HA GLU A 76 2.088 12.928 4.237 1.00 0.59 H new ATOM 0 HB2 GLU A 76 1.826 14.830 5.820 1.00 0.86 H new ATOM 0 HB3 GLU A 76 1.259 15.230 4.212 1.00 0.86 H new ATOM 0 HG2 GLU A 76 -1.057 14.938 4.879 1.00 1.85 H new ATOM 0 HG3 GLU A 76 -0.580 14.299 6.439 1.00 1.85 H new ATOM 949 N CYS A 77 0.242 11.181 5.794 1.00 0.32 N ATOM 950 CA CYS A 77 -0.254 10.410 6.922 1.00 0.32 C ATOM 951 C CYS A 77 0.531 9.127 7.084 1.00 0.32 C ATOM 952 O CYS A 77 -0.027 8.089 7.422 1.00 0.35 O ATOM 953 CB CYS A 77 -1.730 10.103 6.728 1.00 0.33 C ATOM 954 SG CYS A 77 -2.775 11.571 6.577 1.00 0.37 S ATOM 0 H CYS A 77 -0.005 10.792 4.884 1.00 0.32 H new ATOM 0 HA CYS A 77 -0.128 11.002 7.829 1.00 0.32 H new ATOM 0 HB2 CYS A 77 -1.849 9.492 5.833 1.00 0.33 H new ATOM 0 HB3 CYS A 77 -2.080 9.506 7.570 1.00 0.33 H new ATOM 0 HG CYS A 77 -3.969 11.217 6.205 1.00 0.37 H new ATOM 960 N TYR A 78 1.821 9.210 6.821 1.00 0.34 N ATOM 961 CA TYR A 78 2.686 8.045 6.774 1.00 0.38 C ATOM 962 C TYR A 78 2.661 7.267 8.088 1.00 0.41 C ATOM 963 O TYR A 78 2.954 6.074 8.109 1.00 0.43 O ATOM 964 CB TYR A 78 4.093 8.497 6.425 1.00 0.44 C ATOM 965 CG TYR A 78 4.099 9.490 5.288 1.00 0.42 C ATOM 966 CD1 TYR A 78 3.544 9.151 4.065 1.00 0.55 C ATOM 967 CD2 TYR A 78 4.618 10.768 5.445 1.00 0.54 C ATOM 968 CE1 TYR A 78 3.512 10.055 3.022 1.00 0.66 C ATOM 969 CE2 TYR A 78 4.586 11.682 4.409 1.00 0.66 C ATOM 970 CZ TYR A 78 4.032 11.318 3.198 1.00 0.66 C ATOM 971 OH TYR A 78 3.983 12.227 2.166 1.00 0.84 O ATOM 0 H TYR A 78 2.301 10.090 6.633 1.00 0.34 H new ATOM 0 HA TYR A 78 2.322 7.361 6.007 1.00 0.38 H new ATOM 0 HB2 TYR A 78 4.558 8.947 7.302 1.00 0.44 H new ATOM 0 HB3 TYR A 78 4.696 7.630 6.154 1.00 0.44 H new ATOM 0 HD1 TYR A 78 3.130 8.164 3.925 1.00 0.55 H new ATOM 0 HD2 TYR A 78 5.054 11.052 6.392 1.00 0.54 H new ATOM 0 HE1 TYR A 78 3.081 9.773 2.073 1.00 0.66 H new ATOM 0 HE2 TYR A 78 4.991 12.674 4.546 1.00 0.66 H new ATOM 0 HH TYR A 78 4.391 13.070 2.453 1.00 0.84 H new ATOM 981 N GLY A 79 2.303 7.942 9.176 1.00 0.43 N ATOM 982 CA GLY A 79 2.045 7.248 10.423 1.00 0.49 C ATOM 983 C GLY A 79 0.920 6.236 10.270 1.00 0.42 C ATOM 984 O GLY A 79 1.073 5.066 10.622 1.00 0.42 O ATOM 0 H GLY A 79 2.187 8.955 9.216 1.00 0.43 H new ATOM 0 HA2 GLY A 79 2.951 6.740 10.753 1.00 0.49 H new ATOM 0 HA3 GLY A 79 1.784 7.970 11.197 1.00 0.49 H new ATOM 988 N TYR A 80 -0.203 6.691 9.715 1.00 0.38 N ATOM 989 CA TYR A 80 -1.331 5.815 9.415 1.00 0.36 C ATOM 990 C TYR A 80 -0.985 4.852 8.289 1.00 0.30 C ATOM 991 O TYR A 80 -1.437 3.716 8.284 1.00 0.32 O ATOM 992 CB TYR A 80 -2.566 6.621 9.008 1.00 0.40 C ATOM 993 CG TYR A 80 -3.371 7.173 10.159 1.00 0.56 C ATOM 994 CD1 TYR A 80 -3.662 6.392 11.272 1.00 0.96 C ATOM 995 CD2 TYR A 80 -3.868 8.467 10.118 1.00 1.06 C ATOM 996 CE1 TYR A 80 -4.424 6.890 12.311 1.00 1.28 C ATOM 997 CE2 TYR A 80 -4.627 8.973 11.155 1.00 1.34 C ATOM 998 CZ TYR A 80 -4.903 8.182 12.248 1.00 1.29 C ATOM 999 OH TYR A 80 -5.667 8.681 13.278 1.00 1.70 O ATOM 0 H TYR A 80 -0.354 7.668 9.463 1.00 0.38 H new ATOM 0 HA TYR A 80 -1.550 5.254 10.324 1.00 0.36 H new ATOM 0 HB2 TYR A 80 -2.249 7.450 8.375 1.00 0.40 H new ATOM 0 HB3 TYR A 80 -3.213 5.986 8.402 1.00 0.40 H new ATOM 0 HD1 TYR A 80 -3.287 5.381 11.325 1.00 0.96 H new ATOM 0 HD2 TYR A 80 -3.658 9.090 9.261 1.00 1.06 H new ATOM 0 HE1 TYR A 80 -4.644 6.271 13.168 1.00 1.28 H new ATOM 0 HE2 TYR A 80 -5.002 9.985 11.109 1.00 1.34 H new ATOM 0 HH TYR A 80 -5.923 9.605 13.077 1.00 1.70 H new ATOM 1009 N ALA A 81 -0.190 5.320 7.337 1.00 0.28 N ATOM 1010 CA ALA A 81 0.222 4.495 6.210 1.00 0.28 C ATOM 1011 C ALA A 81 1.005 3.280 6.691 1.00 0.29 C ATOM 1012 O ALA A 81 0.704 2.143 6.319 1.00 0.33 O ATOM 1013 CB ALA A 81 1.049 5.314 5.233 1.00 0.31 C ATOM 0 H ALA A 81 0.183 6.269 7.323 1.00 0.28 H new ATOM 0 HA ALA A 81 -0.671 4.140 5.695 1.00 0.28 H new ATOM 0 HB1 ALA A 81 1.351 4.685 4.395 1.00 0.31 H new ATOM 0 HB2 ALA A 81 0.454 6.150 4.864 1.00 0.31 H new ATOM 0 HB3 ALA A 81 1.936 5.696 5.738 1.00 0.31 H new ATOM 1019 N LEU A 82 1.994 3.530 7.536 1.00 0.30 N ATOM 1020 CA LEU A 82 2.799 2.471 8.121 1.00 0.34 C ATOM 1021 C LEU A 82 1.915 1.600 9.023 1.00 0.32 C ATOM 1022 O LEU A 82 2.052 0.373 9.060 1.00 0.37 O ATOM 1023 CB LEU A 82 3.967 3.107 8.902 1.00 0.42 C ATOM 1024 CG LEU A 82 5.125 2.181 9.311 1.00 0.49 C ATOM 1025 CD1 LEU A 82 4.731 1.284 10.462 1.00 0.49 C ATOM 1026 CD2 LEU A 82 5.595 1.346 8.133 1.00 0.52 C ATOM 0 H LEU A 82 2.259 4.469 7.834 1.00 0.30 H new ATOM 0 HA LEU A 82 3.217 1.829 7.346 1.00 0.34 H new ATOM 0 HB2 LEU A 82 4.378 3.915 8.297 1.00 0.42 H new ATOM 0 HB3 LEU A 82 3.562 3.561 9.806 1.00 0.42 H new ATOM 0 HG LEU A 82 5.949 2.815 9.639 1.00 0.49 H new ATOM 0 HD11 LEU A 82 5.571 0.642 10.727 1.00 0.49 H new ATOM 0 HD12 LEU A 82 4.456 1.895 11.322 1.00 0.49 H new ATOM 0 HD13 LEU A 82 3.882 0.667 10.168 1.00 0.49 H new ATOM 0 HD21 LEU A 82 6.414 0.700 8.449 1.00 0.52 H new ATOM 0 HD22 LEU A 82 4.770 0.734 7.769 1.00 0.52 H new ATOM 0 HD23 LEU A 82 5.939 2.004 7.335 1.00 0.52 H new ATOM 1038 N ASN A 83 0.995 2.252 9.728 1.00 0.32 N ATOM 1039 CA ASN A 83 0.026 1.573 10.592 1.00 0.39 C ATOM 1040 C ASN A 83 -0.829 0.582 9.795 1.00 0.38 C ATOM 1041 O ASN A 83 -0.854 -0.614 10.097 1.00 0.42 O ATOM 1042 CB ASN A 83 -0.867 2.618 11.274 1.00 0.47 C ATOM 1043 CG ASN A 83 -2.017 2.016 12.063 1.00 1.25 C ATOM 1044 OD1 ASN A 83 -1.905 0.934 12.638 1.00 1.86 O ATOM 1045 ND2 ASN A 83 -3.135 2.723 12.089 1.00 2.09 N ATOM 0 H ASN A 83 0.898 3.267 9.718 1.00 0.32 H new ATOM 0 HA ASN A 83 0.570 1.007 11.348 1.00 0.39 H new ATOM 0 HB2 ASN A 83 -0.256 3.224 11.944 1.00 0.47 H new ATOM 0 HB3 ASN A 83 -1.270 3.289 10.516 1.00 0.47 H new ATOM 0 HD21 ASN A 83 -3.947 2.375 12.600 1.00 2.09 H new ATOM 0 HD22 ASN A 83 -3.185 3.616 11.598 1.00 2.09 H new ATOM 1052 N ASP A 84 -1.510 1.084 8.771 1.00 0.39 N ATOM 1053 CA ASP A 84 -2.376 0.262 7.927 1.00 0.45 C ATOM 1054 C ASP A 84 -1.591 -0.849 7.256 1.00 0.42 C ATOM 1055 O ASP A 84 -2.076 -1.973 7.121 1.00 0.44 O ATOM 1056 CB ASP A 84 -3.059 1.116 6.858 1.00 0.55 C ATOM 1057 CG ASP A 84 -4.476 1.504 7.230 1.00 0.74 C ATOM 1058 OD1 ASP A 84 -4.902 1.226 8.373 1.00 1.10 O ATOM 1059 OD2 ASP A 84 -5.174 2.084 6.375 1.00 1.19 O ATOM 0 H ASP A 84 -1.479 2.067 8.502 1.00 0.39 H new ATOM 0 HA ASP A 84 -3.134 -0.182 8.572 1.00 0.45 H new ATOM 0 HB2 ASP A 84 -2.472 2.019 6.692 1.00 0.55 H new ATOM 0 HB3 ASP A 84 -3.073 0.567 5.916 1.00 0.55 H new ATOM 1064 N ALA A 85 -0.369 -0.535 6.841 1.00 0.41 N ATOM 1065 CA ALA A 85 0.502 -1.522 6.227 1.00 0.43 C ATOM 1066 C ALA A 85 0.730 -2.697 7.177 1.00 0.42 C ATOM 1067 O ALA A 85 0.644 -3.856 6.777 1.00 0.42 O ATOM 1068 CB ALA A 85 1.826 -0.887 5.827 1.00 0.48 C ATOM 0 H ALA A 85 0.038 0.397 6.920 1.00 0.41 H new ATOM 0 HA ALA A 85 0.018 -1.900 5.326 1.00 0.43 H new ATOM 0 HB1 ALA A 85 2.467 -1.640 5.369 1.00 0.48 H new ATOM 0 HB2 ALA A 85 1.643 -0.083 5.114 1.00 0.48 H new ATOM 0 HB3 ALA A 85 2.317 -0.482 6.712 1.00 0.48 H new ATOM 1074 N THR A 86 1.004 -2.391 8.436 1.00 0.42 N ATOM 1075 CA THR A 86 1.220 -3.416 9.455 1.00 0.44 C ATOM 1076 C THR A 86 -0.043 -4.265 9.639 1.00 0.43 C ATOM 1077 O THR A 86 0.019 -5.499 9.750 1.00 0.44 O ATOM 1078 CB THR A 86 1.619 -2.763 10.797 1.00 0.47 C ATOM 1079 OG1 THR A 86 2.703 -1.844 10.581 1.00 0.47 O ATOM 1080 CG2 THR A 86 2.040 -3.811 11.816 1.00 0.55 C ATOM 0 H THR A 86 1.083 -1.435 8.782 1.00 0.42 H new ATOM 0 HA THR A 86 2.031 -4.064 9.124 1.00 0.44 H new ATOM 0 HB THR A 86 0.751 -2.233 11.189 1.00 0.47 H new ATOM 0 HG1 THR A 86 2.363 -1.034 10.147 1.00 0.47 H new ATOM 0 HG21 THR A 86 2.315 -3.321 12.750 1.00 0.55 H new ATOM 0 HG22 THR A 86 1.212 -4.497 11.996 1.00 0.55 H new ATOM 0 HG23 THR A 86 2.895 -4.368 11.433 1.00 0.55 H new ATOM 1088 N ARG A 87 -1.190 -3.600 9.624 1.00 0.43 N ATOM 1089 CA ARG A 87 -2.467 -4.276 9.769 1.00 0.43 C ATOM 1090 C ARG A 87 -2.722 -5.190 8.570 1.00 0.39 C ATOM 1091 O ARG A 87 -3.367 -6.228 8.703 1.00 0.38 O ATOM 1092 CB ARG A 87 -3.593 -3.249 9.915 1.00 0.47 C ATOM 1093 CG ARG A 87 -4.911 -3.839 10.394 1.00 0.58 C ATOM 1094 CD ARG A 87 -4.796 -4.421 11.795 1.00 0.71 C ATOM 1095 NE ARG A 87 -6.108 -4.705 12.375 1.00 1.63 N ATOM 1096 CZ ARG A 87 -6.307 -5.452 13.460 1.00 2.24 C ATOM 1097 NH1 ARG A 87 -5.281 -6.000 14.099 1.00 2.10 N ATOM 1098 NH2 ARG A 87 -7.540 -5.633 13.917 1.00 3.28 N ATOM 0 H ARG A 87 -1.260 -2.589 9.512 1.00 0.43 H new ATOM 0 HA ARG A 87 -2.441 -4.891 10.669 1.00 0.43 H new ATOM 0 HB2 ARG A 87 -3.277 -2.476 10.615 1.00 0.47 H new ATOM 0 HB3 ARG A 87 -3.753 -2.762 8.953 1.00 0.47 H new ATOM 0 HG2 ARG A 87 -5.680 -3.066 10.384 1.00 0.58 H new ATOM 0 HG3 ARG A 87 -5.233 -4.618 9.703 1.00 0.58 H new ATOM 0 HD2 ARG A 87 -4.208 -5.338 11.760 1.00 0.71 H new ATOM 0 HD3 ARG A 87 -4.259 -3.722 12.436 1.00 0.71 H new ATOM 0 HE ARG A 87 -6.927 -4.304 11.918 1.00 1.63 H new ATOM 0 HH11 ARG A 87 -4.331 -5.851 13.760 1.00 2.10 H new ATOM 0 HH12 ARG A 87 -5.443 -6.570 14.929 1.00 2.10 H new ATOM 0 HH21 ARG A 87 -8.330 -5.201 13.438 1.00 3.28 H new ATOM 0 HH22 ARG A 87 -7.697 -6.204 14.747 1.00 3.28 H new ATOM 1112 N ALA A 88 -2.197 -4.810 7.407 1.00 0.39 N ATOM 1113 CA ALA A 88 -2.307 -5.640 6.213 1.00 0.38 C ATOM 1114 C ALA A 88 -1.580 -6.962 6.400 1.00 0.39 C ATOM 1115 O ALA A 88 -2.089 -8.003 6.003 1.00 0.41 O ATOM 1116 CB ALA A 88 -1.774 -4.920 4.990 1.00 0.42 C ATOM 0 H ALA A 88 -1.693 -3.934 7.268 1.00 0.39 H new ATOM 0 HA ALA A 88 -3.366 -5.844 6.055 1.00 0.38 H new ATOM 0 HB1 ALA A 88 -1.870 -5.566 4.117 1.00 0.42 H new ATOM 0 HB2 ALA A 88 -2.344 -4.005 4.829 1.00 0.42 H new ATOM 0 HB3 ALA A 88 -0.724 -4.671 5.143 1.00 0.42 H new ATOM 1122 N ILE A 89 -0.387 -6.917 7.001 1.00 0.42 N ATOM 1123 CA ILE A 89 0.333 -8.145 7.362 1.00 0.47 C ATOM 1124 C ILE A 89 -0.569 -9.056 8.190 1.00 0.47 C ATOM 1125 O ILE A 89 -0.545 -10.276 8.062 1.00 0.59 O ATOM 1126 CB ILE A 89 1.593 -7.874 8.215 1.00 0.60 C ATOM 1127 CG1 ILE A 89 2.517 -6.837 7.582 1.00 0.73 C ATOM 1128 CG2 ILE A 89 2.352 -9.171 8.431 1.00 0.66 C ATOM 1129 CD1 ILE A 89 3.492 -7.391 6.567 1.00 1.15 C ATOM 0 H ILE A 89 0.098 -6.054 7.246 1.00 0.42 H new ATOM 0 HA ILE A 89 0.629 -8.606 6.419 1.00 0.47 H new ATOM 0 HB ILE A 89 1.257 -7.468 9.169 1.00 0.60 H new ATOM 0 HG12 ILE A 89 1.907 -6.074 7.099 1.00 0.73 H new ATOM 0 HG13 ILE A 89 3.080 -6.342 8.373 1.00 0.73 H new ATOM 0 HG21 ILE A 89 3.240 -8.977 9.033 1.00 0.66 H new ATOM 0 HG22 ILE A 89 1.712 -9.885 8.949 1.00 0.66 H new ATOM 0 HG23 ILE A 89 2.650 -9.583 7.467 1.00 0.66 H new ATOM 0 HD11 ILE A 89 4.106 -6.581 6.172 1.00 1.15 H new ATOM 0 HD12 ILE A 89 4.133 -8.132 7.045 1.00 1.15 H new ATOM 0 HD13 ILE A 89 2.941 -7.860 5.751 1.00 1.15 H new ATOM 1141 N GLU A 90 -1.352 -8.443 9.059 1.00 0.42 N ATOM 1142 CA GLU A 90 -2.221 -9.189 9.958 1.00 0.43 C ATOM 1143 C GLU A 90 -3.411 -9.794 9.220 1.00 0.40 C ATOM 1144 O GLU A 90 -3.896 -10.872 9.573 1.00 0.47 O ATOM 1145 CB GLU A 90 -2.696 -8.266 11.073 1.00 0.44 C ATOM 1146 CG GLU A 90 -1.544 -7.681 11.870 1.00 0.50 C ATOM 1147 CD GLU A 90 -0.699 -8.756 12.516 1.00 0.58 C ATOM 1148 OE1 GLU A 90 -1.126 -9.314 13.549 1.00 0.82 O ATOM 1149 OE2 GLU A 90 0.406 -9.031 12.007 1.00 0.73 O ATOM 0 H GLU A 90 -1.406 -7.430 9.163 1.00 0.42 H new ATOM 0 HA GLU A 90 -1.653 -10.017 10.382 1.00 0.43 H new ATOM 0 HB2 GLU A 90 -3.286 -7.456 10.644 1.00 0.44 H new ATOM 0 HB3 GLU A 90 -3.354 -8.819 11.743 1.00 0.44 H new ATOM 0 HG2 GLU A 90 -0.920 -7.075 11.213 1.00 0.50 H new ATOM 0 HG3 GLU A 90 -1.936 -7.017 12.640 1.00 0.50 H new ATOM 1156 N LEU A 91 -3.874 -9.100 8.198 1.00 0.38 N ATOM 1157 CA LEU A 91 -5.003 -9.558 7.405 1.00 0.39 C ATOM 1158 C LEU A 91 -4.551 -10.595 6.385 1.00 0.43 C ATOM 1159 O LEU A 91 -5.119 -11.685 6.293 1.00 0.51 O ATOM 1160 CB LEU A 91 -5.632 -8.376 6.687 1.00 0.36 C ATOM 1161 CG LEU A 91 -6.067 -7.224 7.585 1.00 0.37 C ATOM 1162 CD1 LEU A 91 -6.462 -6.038 6.739 1.00 0.39 C ATOM 1163 CD2 LEU A 91 -7.218 -7.634 8.488 1.00 0.45 C ATOM 0 H LEU A 91 -3.483 -8.209 7.894 1.00 0.38 H new ATOM 0 HA LEU A 91 -5.736 -10.016 8.069 1.00 0.39 H new ATOM 0 HB2 LEU A 91 -4.919 -7.995 5.955 1.00 0.36 H new ATOM 0 HB3 LEU A 91 -6.501 -8.730 6.132 1.00 0.36 H new ATOM 0 HG LEU A 91 -5.226 -6.949 8.221 1.00 0.37 H new ATOM 0 HD11 LEU A 91 -6.772 -5.217 7.386 1.00 0.39 H new ATOM 0 HD12 LEU A 91 -5.611 -5.723 6.135 1.00 0.39 H new ATOM 0 HD13 LEU A 91 -7.288 -6.317 6.085 1.00 0.39 H new ATOM 0 HD21 LEU A 91 -7.506 -6.791 9.116 1.00 0.45 H new ATOM 0 HD22 LEU A 91 -8.068 -7.939 7.878 1.00 0.45 H new ATOM 0 HD23 LEU A 91 -6.907 -8.467 9.118 1.00 0.45 H new ATOM 1175 N ASP A 92 -3.512 -10.246 5.643 1.00 0.46 N ATOM 1176 CA ASP A 92 -2.917 -11.126 4.664 1.00 0.53 C ATOM 1177 C ASP A 92 -1.444 -11.225 4.972 1.00 0.56 C ATOM 1178 O ASP A 92 -0.654 -10.364 4.581 1.00 0.82 O ATOM 1179 CB ASP A 92 -3.122 -10.629 3.223 1.00 0.66 C ATOM 1180 CG ASP A 92 -4.535 -10.830 2.700 1.00 1.77 C ATOM 1181 OD1 ASP A 92 -5.111 -11.920 2.901 1.00 2.32 O ATOM 1182 OD2 ASP A 92 -5.072 -9.902 2.059 1.00 2.34 O ATOM 0 H ASP A 92 -3.058 -9.335 5.708 1.00 0.46 H new ATOM 0 HA ASP A 92 -3.402 -12.100 4.726 1.00 0.53 H new ATOM 0 HB2 ASP A 92 -2.874 -9.569 3.176 1.00 0.66 H new ATOM 0 HB3 ASP A 92 -2.424 -11.149 2.567 1.00 0.66 H new ATOM 1187 N LYS A 93 -1.094 -12.257 5.718 1.00 0.48 N ATOM 1188 CA LYS A 93 0.254 -12.419 6.235 1.00 0.50 C ATOM 1189 C LYS A 93 1.262 -12.433 5.101 1.00 0.55 C ATOM 1190 O LYS A 93 2.363 -11.897 5.232 1.00 0.64 O ATOM 1191 CB LYS A 93 0.329 -13.695 7.065 1.00 0.55 C ATOM 1192 CG LYS A 93 1.586 -13.812 7.910 1.00 0.73 C ATOM 1193 CD LYS A 93 1.675 -12.688 8.931 1.00 1.22 C ATOM 1194 CE LYS A 93 0.502 -12.724 9.904 1.00 1.76 C ATOM 1195 NZ LYS A 93 0.537 -11.596 10.876 1.00 2.61 N ATOM 0 H LYS A 93 -1.734 -13.006 5.983 1.00 0.48 H new ATOM 0 HA LYS A 93 0.500 -11.574 6.878 1.00 0.50 H new ATOM 0 HB2 LYS A 93 -0.541 -13.742 7.719 1.00 0.55 H new ATOM 0 HB3 LYS A 93 0.272 -14.554 6.397 1.00 0.55 H new ATOM 0 HG2 LYS A 93 1.593 -14.773 8.424 1.00 0.73 H new ATOM 0 HG3 LYS A 93 2.464 -13.789 7.264 1.00 0.73 H new ATOM 0 HD2 LYS A 93 2.611 -12.770 9.484 1.00 1.22 H new ATOM 0 HD3 LYS A 93 1.693 -11.728 8.416 1.00 1.22 H new ATOM 0 HE2 LYS A 93 -0.432 -12.689 9.344 1.00 1.76 H new ATOM 0 HE3 LYS A 93 0.513 -13.669 10.447 1.00 1.76 H new ATOM 0 HZ1 LYS A 93 -0.198 -11.737 11.598 1.00 2.61 H new ATOM 0 HZ2 LYS A 93 1.470 -11.561 11.334 1.00 2.61 H new ATOM 0 HZ3 LYS A 93 0.364 -10.701 10.375 1.00 2.61 H new ATOM 1209 N LYS A 94 0.893 -13.026 3.980 1.00 0.55 N ATOM 1210 CA LYS A 94 1.666 -12.810 2.783 1.00 0.61 C ATOM 1211 C LYS A 94 0.860 -11.972 1.808 1.00 0.60 C ATOM 1212 O LYS A 94 -0.037 -12.459 1.119 1.00 0.69 O ATOM 1213 CB LYS A 94 2.106 -14.126 2.144 1.00 0.76 C ATOM 1214 CG LYS A 94 2.936 -14.995 3.076 1.00 0.96 C ATOM 1215 CD LYS A 94 3.881 -15.900 2.309 1.00 1.17 C ATOM 1216 CE LYS A 94 5.016 -15.106 1.683 1.00 1.41 C ATOM 1217 NZ LYS A 94 5.819 -14.387 2.711 1.00 2.11 N ATOM 0 H LYS A 94 0.087 -13.642 3.878 1.00 0.55 H new ATOM 0 HA LYS A 94 2.576 -12.274 3.052 1.00 0.61 H new ATOM 0 HB2 LYS A 94 1.223 -14.682 1.828 1.00 0.76 H new ATOM 0 HB3 LYS A 94 2.685 -13.911 1.246 1.00 0.76 H new ATOM 0 HG2 LYS A 94 3.509 -14.360 3.751 1.00 0.96 H new ATOM 0 HG3 LYS A 94 2.274 -15.601 3.694 1.00 0.96 H new ATOM 0 HD2 LYS A 94 4.289 -16.656 2.980 1.00 1.17 H new ATOM 0 HD3 LYS A 94 3.331 -16.428 1.530 1.00 1.17 H new ATOM 0 HE2 LYS A 94 5.664 -15.779 1.121 1.00 1.41 H new ATOM 0 HE3 LYS A 94 4.608 -14.388 0.972 1.00 1.41 H new ATOM 0 HZ1 LYS A 94 6.757 -14.160 2.323 1.00 2.11 H new ATOM 0 HZ2 LYS A 94 5.333 -13.508 2.979 1.00 2.11 H new ATOM 0 HZ3 LYS A 94 5.929 -14.991 3.550 1.00 2.11 H new ATOM 1231 N TYR A 95 1.205 -10.703 1.778 1.00 0.53 N ATOM 1232 CA TYR A 95 0.638 -9.741 0.858 1.00 0.58 C ATOM 1233 C TYR A 95 1.781 -8.875 0.365 1.00 0.55 C ATOM 1234 O TYR A 95 2.287 -8.028 1.103 1.00 0.55 O ATOM 1235 CB TYR A 95 -0.450 -8.912 1.562 1.00 0.63 C ATOM 1236 CG TYR A 95 -1.032 -7.772 0.747 1.00 0.81 C ATOM 1237 CD1 TYR A 95 -1.229 -7.878 -0.625 1.00 0.99 C ATOM 1238 CD2 TYR A 95 -1.378 -6.576 1.363 1.00 0.91 C ATOM 1239 CE1 TYR A 95 -1.752 -6.826 -1.354 1.00 1.19 C ATOM 1240 CE2 TYR A 95 -1.899 -5.522 0.641 1.00 1.12 C ATOM 1241 CZ TYR A 95 -2.084 -5.651 -0.716 1.00 1.23 C ATOM 1242 OH TYR A 95 -2.594 -4.596 -1.438 1.00 1.46 O ATOM 0 H TYR A 95 1.902 -10.303 2.406 1.00 0.53 H new ATOM 0 HA TYR A 95 0.155 -10.231 0.012 1.00 0.58 H new ATOM 0 HB2 TYR A 95 -1.261 -9.580 1.851 1.00 0.63 H new ATOM 0 HB3 TYR A 95 -0.032 -8.502 2.481 1.00 0.63 H new ATOM 0 HD1 TYR A 95 -0.969 -8.797 -1.130 1.00 0.99 H new ATOM 0 HD2 TYR A 95 -1.236 -6.469 2.428 1.00 0.91 H new ATOM 0 HE1 TYR A 95 -1.900 -6.925 -2.419 1.00 1.19 H new ATOM 0 HE2 TYR A 95 -2.160 -4.600 1.139 1.00 1.12 H new ATOM 0 HH TYR A 95 -2.776 -3.845 -0.836 1.00 1.46 H new ATOM 1252 N ILE A 96 2.213 -9.122 -0.857 1.00 0.56 N ATOM 1253 CA ILE A 96 3.445 -8.535 -1.361 1.00 0.55 C ATOM 1254 C ILE A 96 3.357 -7.017 -1.428 1.00 0.49 C ATOM 1255 O ILE A 96 4.261 -6.315 -0.967 1.00 0.45 O ATOM 1256 CB ILE A 96 3.813 -9.109 -2.744 1.00 0.64 C ATOM 1257 CG1 ILE A 96 3.919 -10.634 -2.663 1.00 0.87 C ATOM 1258 CG2 ILE A 96 5.119 -8.513 -3.238 1.00 0.59 C ATOM 1259 CD1 ILE A 96 4.866 -11.116 -1.581 1.00 0.83 C ATOM 0 H ILE A 96 1.730 -9.726 -1.522 1.00 0.56 H new ATOM 0 HA ILE A 96 4.234 -8.798 -0.657 1.00 0.55 H new ATOM 0 HB ILE A 96 3.028 -8.846 -3.453 1.00 0.64 H new ATOM 0 HG12 ILE A 96 2.928 -11.050 -2.480 1.00 0.87 H new ATOM 0 HG13 ILE A 96 4.254 -11.019 -3.626 1.00 0.87 H new ATOM 0 HG21 ILE A 96 5.363 -8.930 -4.215 1.00 0.59 H new ATOM 0 HG22 ILE A 96 5.017 -7.431 -3.320 1.00 0.59 H new ATOM 0 HG23 ILE A 96 5.916 -8.750 -2.534 1.00 0.59 H new ATOM 0 HD11 ILE A 96 4.893 -12.206 -1.580 1.00 0.83 H new ATOM 0 HD12 ILE A 96 5.866 -10.729 -1.774 1.00 0.83 H new ATOM 0 HD13 ILE A 96 4.520 -10.761 -0.610 1.00 0.83 H new ATOM 1271 N LYS A 97 2.263 -6.509 -1.971 1.00 0.54 N ATOM 1272 CA LYS A 97 2.055 -5.072 -2.045 1.00 0.55 C ATOM 1273 C LYS A 97 1.838 -4.497 -0.644 1.00 0.50 C ATOM 1274 O LYS A 97 1.991 -3.298 -0.422 1.00 0.51 O ATOM 1275 CB LYS A 97 0.868 -4.750 -2.954 1.00 0.71 C ATOM 1276 CG LYS A 97 1.037 -3.455 -3.732 1.00 1.28 C ATOM 1277 CD LYS A 97 2.244 -3.525 -4.662 1.00 1.65 C ATOM 1278 CE LYS A 97 2.385 -2.265 -5.502 1.00 1.73 C ATOM 1279 NZ LYS A 97 1.219 -2.065 -6.401 1.00 1.59 N ATOM 0 H LYS A 97 1.507 -7.068 -2.366 1.00 0.54 H new ATOM 0 HA LYS A 97 2.945 -4.610 -2.473 1.00 0.55 H new ATOM 0 HB2 LYS A 97 0.725 -5.571 -3.656 1.00 0.71 H new ATOM 0 HB3 LYS A 97 -0.037 -4.686 -2.349 1.00 0.71 H new ATOM 0 HG2 LYS A 97 0.137 -3.257 -4.314 1.00 1.28 H new ATOM 0 HG3 LYS A 97 1.157 -2.623 -3.038 1.00 1.28 H new ATOM 0 HD2 LYS A 97 3.149 -3.672 -4.072 1.00 1.65 H new ATOM 0 HD3 LYS A 97 2.147 -4.390 -5.318 1.00 1.65 H new ATOM 0 HE2 LYS A 97 2.490 -1.401 -4.846 1.00 1.73 H new ATOM 0 HE3 LYS A 97 3.296 -2.326 -6.097 1.00 1.73 H new ATOM 0 HZ1 LYS A 97 1.547 -1.705 -7.320 1.00 1.59 H new ATOM 0 HZ2 LYS A 97 0.728 -2.971 -6.540 1.00 1.59 H new ATOM 0 HZ3 LYS A 97 0.565 -1.379 -5.974 1.00 1.59 H new ATOM 1293 N GLY A 98 1.510 -5.371 0.303 1.00 0.51 N ATOM 1294 CA GLY A 98 1.365 -4.961 1.687 1.00 0.52 C ATOM 1295 C GLY A 98 2.707 -4.686 2.305 1.00 0.43 C ATOM 1296 O GLY A 98 2.922 -3.627 2.905 1.00 0.48 O ATOM 0 H GLY A 98 1.341 -6.363 0.134 1.00 0.51 H new ATOM 0 HA2 GLY A 98 0.744 -4.067 1.743 1.00 0.52 H new ATOM 0 HA3 GLY A 98 0.853 -5.741 2.250 1.00 0.52 H new ATOM 1300 N TYR A 99 3.618 -5.646 2.159 1.00 0.35 N ATOM 1301 CA TYR A 99 5.000 -5.448 2.567 1.00 0.29 C ATOM 1302 C TYR A 99 5.533 -4.170 1.914 1.00 0.31 C ATOM 1303 O TYR A 99 6.214 -3.357 2.537 1.00 0.32 O ATOM 1304 CB TYR A 99 5.901 -6.610 2.123 1.00 0.30 C ATOM 1305 CG TYR A 99 5.466 -8.020 2.504 1.00 0.38 C ATOM 1306 CD1 TYR A 99 4.891 -8.325 3.737 1.00 0.64 C ATOM 1307 CD2 TYR A 99 5.673 -9.064 1.612 1.00 0.98 C ATOM 1308 CE1 TYR A 99 4.538 -9.625 4.056 1.00 0.71 C ATOM 1309 CE2 TYR A 99 5.330 -10.364 1.930 1.00 1.11 C ATOM 1310 CZ TYR A 99 4.763 -10.639 3.152 1.00 0.72 C ATOM 1311 OH TYR A 99 4.433 -11.935 3.479 1.00 0.92 O ATOM 0 H TYR A 99 3.421 -6.565 1.762 1.00 0.35 H new ATOM 0 HA TYR A 99 5.017 -5.385 3.655 1.00 0.29 H new ATOM 0 HB2 TYR A 99 5.994 -6.568 1.038 1.00 0.30 H new ATOM 0 HB3 TYR A 99 6.896 -6.441 2.535 1.00 0.30 H new ATOM 0 HD1 TYR A 99 4.718 -7.536 4.454 1.00 0.64 H new ATOM 0 HD2 TYR A 99 6.112 -8.855 0.648 1.00 0.98 H new ATOM 0 HE1 TYR A 99 4.087 -9.844 5.013 1.00 0.71 H new ATOM 0 HE2 TYR A 99 5.506 -11.160 1.222 1.00 1.11 H new ATOM 0 HH TYR A 99 3.899 -11.939 4.300 1.00 0.92 H new ATOM 1321 N TYR A 100 5.175 -4.020 0.644 1.00 0.34 N ATOM 1322 CA TYR A 100 5.622 -2.920 -0.199 1.00 0.37 C ATOM 1323 C TYR A 100 5.215 -1.558 0.376 1.00 0.39 C ATOM 1324 O TYR A 100 6.029 -0.636 0.449 1.00 0.42 O ATOM 1325 CB TYR A 100 5.011 -3.111 -1.588 1.00 0.42 C ATOM 1326 CG TYR A 100 5.714 -2.380 -2.703 1.00 0.43 C ATOM 1327 CD1 TYR A 100 6.855 -2.911 -3.286 1.00 0.46 C ATOM 1328 CD2 TYR A 100 5.216 -1.182 -3.199 1.00 0.51 C ATOM 1329 CE1 TYR A 100 7.484 -2.269 -4.332 1.00 0.55 C ATOM 1330 CE2 TYR A 100 5.843 -0.531 -4.243 1.00 0.60 C ATOM 1331 CZ TYR A 100 6.974 -1.081 -4.804 1.00 0.60 C ATOM 1332 OH TYR A 100 7.594 -0.449 -5.852 1.00 0.73 O ATOM 0 H TYR A 100 4.555 -4.672 0.164 1.00 0.34 H new ATOM 0 HA TYR A 100 6.711 -2.929 -0.250 1.00 0.37 H new ATOM 0 HB2 TYR A 100 5.003 -4.176 -1.821 1.00 0.42 H new ATOM 0 HB3 TYR A 100 3.972 -2.784 -1.559 1.00 0.42 H new ATOM 0 HD1 TYR A 100 7.257 -3.842 -2.915 1.00 0.46 H new ATOM 0 HD2 TYR A 100 4.326 -0.754 -2.762 1.00 0.51 H new ATOM 0 HE1 TYR A 100 8.371 -2.695 -4.778 1.00 0.55 H new ATOM 0 HE2 TYR A 100 5.449 0.403 -4.617 1.00 0.60 H new ATOM 0 HH TYR A 100 8.133 -1.097 -6.352 1.00 0.73 H new ATOM 1342 N ARG A 101 3.954 -1.436 0.784 1.00 0.41 N ATOM 1343 CA ARG A 101 3.440 -0.175 1.321 1.00 0.46 C ATOM 1344 C ARG A 101 4.141 0.195 2.625 1.00 0.43 C ATOM 1345 O ARG A 101 4.310 1.377 2.936 1.00 0.46 O ATOM 1346 CB ARG A 101 1.924 -0.249 1.545 1.00 0.53 C ATOM 1347 CG ARG A 101 1.123 -0.463 0.268 1.00 0.82 C ATOM 1348 CD ARG A 101 1.369 0.644 -0.747 1.00 1.06 C ATOM 1349 NE ARG A 101 0.696 0.387 -2.023 1.00 1.18 N ATOM 1350 CZ ARG A 101 1.046 0.953 -3.180 1.00 1.58 C ATOM 1351 NH1 ARG A 101 2.052 1.820 -3.225 1.00 2.34 N ATOM 1352 NH2 ARG A 101 0.393 0.653 -4.295 1.00 1.89 N ATOM 0 H ARG A 101 3.270 -2.192 0.754 1.00 0.41 H new ATOM 0 HA ARG A 101 3.647 0.601 0.584 1.00 0.46 H new ATOM 0 HB2 ARG A 101 1.708 -1.062 2.239 1.00 0.53 H new ATOM 0 HB3 ARG A 101 1.591 0.673 2.021 1.00 0.53 H new ATOM 0 HG2 ARG A 101 1.390 -1.424 -0.171 1.00 0.82 H new ATOM 0 HG3 ARG A 101 0.061 -0.506 0.508 1.00 0.82 H new ATOM 0 HD2 ARG A 101 1.020 1.592 -0.339 1.00 1.06 H new ATOM 0 HD3 ARG A 101 2.441 0.746 -0.918 1.00 1.06 H new ATOM 0 HE ARG A 101 -0.089 -0.265 -2.027 1.00 1.18 H new ATOM 0 HH11 ARG A 101 2.561 2.056 -2.373 1.00 2.34 H new ATOM 0 HH12 ARG A 101 2.316 2.250 -4.112 1.00 2.34 H new ATOM 0 HH21 ARG A 101 -0.380 -0.012 -4.270 1.00 1.89 H new ATOM 0 HH22 ARG A 101 0.664 1.088 -5.177 1.00 1.89 H new ATOM 1366 N ARG A 102 4.550 -0.816 3.383 1.00 0.41 N ATOM 1367 CA ARG A 102 5.275 -0.594 4.630 1.00 0.43 C ATOM 1368 C ARG A 102 6.618 0.036 4.346 1.00 0.37 C ATOM 1369 O ARG A 102 6.974 1.060 4.921 1.00 0.38 O ATOM 1370 CB ARG A 102 5.498 -1.903 5.341 1.00 0.52 C ATOM 1371 CG ARG A 102 5.822 -1.774 6.820 1.00 0.87 C ATOM 1372 CD ARG A 102 5.512 -3.078 7.534 1.00 1.12 C ATOM 1373 NE ARG A 102 4.202 -3.577 7.118 1.00 1.87 N ATOM 1374 CZ ARG A 102 4.031 -4.365 6.057 1.00 2.58 C ATOM 1375 NH1 ARG A 102 5.086 -4.906 5.463 1.00 2.78 N ATOM 1376 NH2 ARG A 102 2.817 -4.623 5.596 1.00 3.57 N ATOM 0 H ARG A 102 4.392 -1.798 3.156 1.00 0.41 H new ATOM 0 HA ARG A 102 4.681 0.070 5.257 1.00 0.43 H new ATOM 0 HB2 ARG A 102 4.605 -2.518 5.231 1.00 0.52 H new ATOM 0 HB3 ARG A 102 6.313 -2.434 4.849 1.00 0.52 H new ATOM 0 HG2 ARG A 102 6.874 -1.520 6.950 1.00 0.87 H new ATOM 0 HG3 ARG A 102 5.241 -0.962 7.259 1.00 0.87 H new ATOM 0 HD2 ARG A 102 6.280 -3.817 7.308 1.00 1.12 H new ATOM 0 HD3 ARG A 102 5.526 -2.924 8.613 1.00 1.12 H new ATOM 0 HE ARG A 102 3.383 -3.310 7.664 1.00 1.87 H new ATOM 0 HH11 ARG A 102 6.023 -4.718 5.819 1.00 2.78 H new ATOM 0 HH12 ARG A 102 4.960 -5.510 4.651 1.00 2.78 H new ATOM 0 HH21 ARG A 102 2.001 -4.217 6.054 1.00 3.57 H new ATOM 0 HH22 ARG A 102 2.698 -5.228 4.783 1.00 3.57 H new ATOM 1390 N ALA A 103 7.355 -0.607 3.454 1.00 0.34 N ATOM 1391 CA ALA A 103 8.654 -0.115 3.029 1.00 0.32 C ATOM 1392 C ALA A 103 8.569 1.342 2.557 1.00 0.33 C ATOM 1393 O ALA A 103 9.428 2.163 2.880 1.00 0.35 O ATOM 1394 CB ALA A 103 9.200 -0.995 1.925 1.00 0.33 C ATOM 0 H ALA A 103 7.071 -1.479 3.007 1.00 0.34 H new ATOM 0 HA ALA A 103 9.330 -0.149 3.883 1.00 0.32 H new ATOM 0 HB1 ALA A 103 10.174 -0.621 1.610 1.00 0.33 H new ATOM 0 HB2 ALA A 103 9.304 -2.016 2.292 1.00 0.33 H new ATOM 0 HB3 ALA A 103 8.515 -0.982 1.077 1.00 0.33 H new ATOM 1400 N ALA A 104 7.513 1.660 1.810 1.00 0.33 N ATOM 1401 CA ALA A 104 7.304 3.014 1.309 1.00 0.35 C ATOM 1402 C ALA A 104 7.058 3.972 2.464 1.00 0.35 C ATOM 1403 O ALA A 104 7.589 5.084 2.494 1.00 0.38 O ATOM 1404 CB ALA A 104 6.137 3.045 0.330 1.00 0.39 C ATOM 0 H ALA A 104 6.788 0.995 1.539 1.00 0.33 H new ATOM 0 HA ALA A 104 8.203 3.332 0.781 1.00 0.35 H new ATOM 0 HB1 ALA A 104 5.995 4.062 -0.034 1.00 0.39 H new ATOM 0 HB2 ALA A 104 6.350 2.385 -0.511 1.00 0.39 H new ATOM 0 HB3 ALA A 104 5.230 2.710 0.834 1.00 0.39 H new ATOM 1410 N SER A 105 6.254 3.523 3.418 1.00 0.34 N ATOM 1411 CA SER A 105 6.008 4.273 4.639 1.00 0.36 C ATOM 1412 C SER A 105 7.318 4.493 5.395 1.00 0.34 C ATOM 1413 O SER A 105 7.590 5.586 5.879 1.00 0.33 O ATOM 1414 CB SER A 105 4.990 3.514 5.499 1.00 0.40 C ATOM 1415 OG SER A 105 3.725 3.479 4.864 1.00 0.64 O ATOM 0 H SER A 105 5.757 2.634 3.367 1.00 0.34 H new ATOM 0 HA SER A 105 5.598 5.253 4.395 1.00 0.36 H new ATOM 0 HB2 SER A 105 5.342 2.498 5.676 1.00 0.40 H new ATOM 0 HB3 SER A 105 4.900 3.994 6.473 1.00 0.40 H new ATOM 0 HG SER A 105 3.733 2.802 4.155 1.00 0.64 H new ATOM 1421 N ASN A 106 8.148 3.459 5.453 1.00 0.36 N ATOM 1422 CA ASN A 106 9.450 3.555 6.107 1.00 0.37 C ATOM 1423 C ASN A 106 10.341 4.579 5.413 1.00 0.36 C ATOM 1424 O ASN A 106 10.955 5.417 6.076 1.00 0.37 O ATOM 1425 CB ASN A 106 10.150 2.199 6.127 1.00 0.40 C ATOM 1426 CG ASN A 106 9.539 1.224 7.109 1.00 0.43 C ATOM 1427 OD1 ASN A 106 9.036 1.728 8.226 1.00 1.09 O flip ATOM 1428 ND2 ASN A 106 9.537 0.019 6.876 1.00 1.32 N flip ATOM 0 H ASN A 106 7.944 2.542 5.055 1.00 0.36 H new ATOM 0 HA ASN A 106 9.275 3.881 7.132 1.00 0.37 H new ATOM 0 HB2 ASN A 106 10.116 1.766 5.127 1.00 0.40 H new ATOM 0 HB3 ASN A 106 11.201 2.344 6.376 1.00 0.40 H new ATOM 0 HD21 ASN A 106 9.933 -0.333 6.004 1.00 1.32 H new ATOM 0 HD22 ASN A 106 9.139 -0.631 7.554 1.00 1.32 H new ATOM 1435 N MET A 107 10.408 4.516 4.079 1.00 0.38 N ATOM 1436 CA MET A 107 11.189 5.486 3.308 1.00 0.40 C ATOM 1437 C MET A 107 10.715 6.902 3.609 1.00 0.40 C ATOM 1438 O MET A 107 11.515 7.832 3.714 1.00 0.45 O ATOM 1439 CB MET A 107 11.072 5.243 1.797 1.00 0.46 C ATOM 1440 CG MET A 107 11.787 4.001 1.291 1.00 0.44 C ATOM 1441 SD MET A 107 11.811 3.916 -0.509 1.00 1.26 S ATOM 1442 CE MET A 107 12.975 5.227 -0.877 1.00 0.70 C ATOM 0 H MET A 107 9.935 3.810 3.516 1.00 0.38 H new ATOM 0 HA MET A 107 12.231 5.363 3.603 1.00 0.40 H new ATOM 0 HB2 MET A 107 10.016 5.168 1.537 1.00 0.46 H new ATOM 0 HB3 MET A 107 11.469 6.112 1.272 1.00 0.46 H new ATOM 0 HG2 MET A 107 12.810 3.994 1.667 1.00 0.44 H new ATOM 0 HG3 MET A 107 11.295 3.113 1.689 1.00 0.44 H new ATOM 0 HE1 MET A 107 12.440 6.084 -1.286 1.00 0.70 H new ATOM 0 HE2 MET A 107 13.491 5.523 0.037 1.00 0.70 H new ATOM 0 HE3 MET A 107 13.704 4.873 -1.606 1.00 0.70 H new ATOM 1452 N ALA A 108 9.404 7.042 3.757 1.00 0.36 N ATOM 1453 CA ALA A 108 8.777 8.332 4.006 1.00 0.38 C ATOM 1454 C ALA A 108 9.151 8.886 5.384 1.00 0.39 C ATOM 1455 O ALA A 108 9.352 10.091 5.544 1.00 0.43 O ATOM 1456 CB ALA A 108 7.269 8.197 3.869 1.00 0.38 C ATOM 0 H ALA A 108 8.746 6.264 3.708 1.00 0.36 H new ATOM 0 HA ALA A 108 9.145 9.043 3.266 1.00 0.38 H new ATOM 0 HB1 ALA A 108 6.799 9.163 4.055 1.00 0.38 H new ATOM 0 HB2 ALA A 108 7.024 7.862 2.861 1.00 0.38 H new ATOM 0 HB3 ALA A 108 6.902 7.469 4.592 1.00 0.38 H new ATOM 1462 N LEU A 109 9.246 8.002 6.371 1.00 0.38 N ATOM 1463 CA LEU A 109 9.600 8.410 7.732 1.00 0.40 C ATOM 1464 C LEU A 109 11.103 8.644 7.867 1.00 0.43 C ATOM 1465 O LEU A 109 11.538 9.511 8.626 1.00 0.65 O ATOM 1466 CB LEU A 109 9.145 7.361 8.757 1.00 0.38 C ATOM 1467 CG LEU A 109 7.689 7.466 9.237 1.00 0.48 C ATOM 1468 CD1 LEU A 109 6.711 7.295 8.094 1.00 0.75 C ATOM 1469 CD2 LEU A 109 7.424 6.430 10.318 1.00 0.82 C ATOM 0 H LEU A 109 9.084 7.001 6.258 1.00 0.38 H new ATOM 0 HA LEU A 109 9.082 9.348 7.933 1.00 0.40 H new ATOM 0 HB2 LEU A 109 9.292 6.372 8.323 1.00 0.38 H new ATOM 0 HB3 LEU A 109 9.798 7.427 9.627 1.00 0.38 H new ATOM 0 HG LEU A 109 7.542 8.464 9.649 1.00 0.48 H new ATOM 0 HD11 LEU A 109 5.692 7.375 8.472 1.00 0.75 H new ATOM 0 HD12 LEU A 109 6.884 8.071 7.348 1.00 0.75 H new ATOM 0 HD13 LEU A 109 6.852 6.315 7.638 1.00 0.75 H new ATOM 0 HD21 LEU A 109 6.390 6.510 10.653 1.00 0.82 H new ATOM 0 HD22 LEU A 109 7.599 5.432 9.916 1.00 0.82 H new ATOM 0 HD23 LEU A 109 8.093 6.604 11.161 1.00 0.82 H new ATOM 1481 N GLY A 110 11.893 7.869 7.134 1.00 0.39 N ATOM 1482 CA GLY A 110 13.339 8.006 7.203 1.00 0.41 C ATOM 1483 C GLY A 110 14.022 6.724 7.634 1.00 0.39 C ATOM 1484 O GLY A 110 15.187 6.729 8.036 1.00 0.47 O ATOM 0 H GLY A 110 11.561 7.148 6.493 1.00 0.39 H new ATOM 0 HA2 GLY A 110 13.720 8.306 6.227 1.00 0.41 H new ATOM 0 HA3 GLY A 110 13.593 8.802 7.903 1.00 0.41 H new ATOM 1488 N LYS A 111 13.298 5.619 7.556 1.00 0.36 N ATOM 1489 CA LYS A 111 13.847 4.317 7.900 1.00 0.38 C ATOM 1490 C LYS A 111 14.265 3.586 6.633 1.00 0.30 C ATOM 1491 O LYS A 111 13.519 2.761 6.112 1.00 0.32 O ATOM 1492 CB LYS A 111 12.812 3.490 8.667 1.00 0.53 C ATOM 1493 CG LYS A 111 12.396 4.104 9.994 1.00 0.74 C ATOM 1494 CD LYS A 111 11.191 3.390 10.586 1.00 0.54 C ATOM 1495 CE LYS A 111 10.707 4.061 11.863 1.00 1.22 C ATOM 1496 NZ LYS A 111 11.690 3.944 12.972 1.00 1.73 N ATOM 0 H LYS A 111 12.323 5.598 7.256 1.00 0.36 H new ATOM 0 HA LYS A 111 14.720 4.458 8.537 1.00 0.38 H new ATOM 0 HB2 LYS A 111 11.927 3.363 8.043 1.00 0.53 H new ATOM 0 HB3 LYS A 111 13.219 2.495 8.849 1.00 0.53 H new ATOM 0 HG2 LYS A 111 13.229 4.056 10.695 1.00 0.74 H new ATOM 0 HG3 LYS A 111 12.161 5.159 9.850 1.00 0.74 H new ATOM 0 HD2 LYS A 111 10.383 3.374 9.855 1.00 0.54 H new ATOM 0 HD3 LYS A 111 11.451 2.353 10.797 1.00 0.54 H new ATOM 0 HE2 LYS A 111 10.511 5.115 11.665 1.00 1.22 H new ATOM 0 HE3 LYS A 111 9.762 3.613 12.170 1.00 1.22 H new ATOM 0 HZ1 LYS A 111 11.294 4.371 13.833 1.00 1.73 H new ATOM 0 HZ2 LYS A 111 11.898 2.940 13.147 1.00 1.73 H new ATOM 0 HZ3 LYS A 111 12.567 4.439 12.712 1.00 1.73 H new ATOM 1510 N PHE A 112 15.443 3.917 6.124 1.00 0.30 N ATOM 1511 CA PHE A 112 15.903 3.393 4.840 1.00 0.29 C ATOM 1512 C PHE A 112 16.252 1.910 4.907 1.00 0.30 C ATOM 1513 O PHE A 112 15.854 1.142 4.034 1.00 0.34 O ATOM 1514 CB PHE A 112 17.091 4.208 4.342 1.00 0.35 C ATOM 1515 CG PHE A 112 16.773 5.671 4.256 1.00 0.39 C ATOM 1516 CD1 PHE A 112 15.856 6.139 3.328 1.00 0.41 C ATOM 1517 CD2 PHE A 112 17.368 6.573 5.121 1.00 0.48 C ATOM 1518 CE1 PHE A 112 15.543 7.481 3.261 1.00 0.48 C ATOM 1519 CE2 PHE A 112 17.055 7.916 5.062 1.00 0.54 C ATOM 1520 CZ PHE A 112 16.143 8.369 4.130 1.00 0.53 C ATOM 0 H PHE A 112 16.102 4.548 6.580 1.00 0.30 H new ATOM 0 HA PHE A 112 15.079 3.487 4.132 1.00 0.29 H new ATOM 0 HB2 PHE A 112 17.938 4.060 5.012 1.00 0.35 H new ATOM 0 HB3 PHE A 112 17.394 3.845 3.360 1.00 0.35 H new ATOM 0 HD1 PHE A 112 15.381 5.445 2.650 1.00 0.41 H new ATOM 0 HD2 PHE A 112 18.084 6.222 5.849 1.00 0.48 H new ATOM 0 HE1 PHE A 112 14.831 7.835 2.531 1.00 0.48 H new ATOM 0 HE2 PHE A 112 17.523 8.611 5.744 1.00 0.54 H new ATOM 0 HZ PHE A 112 15.899 9.420 4.081 1.00 0.53 H new ATOM 1530 N ARG A 113 16.987 1.494 5.929 1.00 0.34 N ATOM 1531 CA ARG A 113 17.307 0.077 6.080 1.00 0.38 C ATOM 1532 C ARG A 113 16.057 -0.719 6.411 1.00 0.34 C ATOM 1533 O ARG A 113 15.870 -1.829 5.914 1.00 0.34 O ATOM 1534 CB ARG A 113 18.355 -0.155 7.160 1.00 0.49 C ATOM 1535 CG ARG A 113 19.780 0.139 6.720 1.00 1.21 C ATOM 1536 CD ARG A 113 20.276 -0.908 5.727 1.00 1.58 C ATOM 1537 NE ARG A 113 20.286 -2.258 6.305 1.00 2.42 N ATOM 1538 CZ ARG A 113 20.028 -3.375 5.617 1.00 3.14 C ATOM 1539 NH1 ARG A 113 19.777 -3.316 4.315 1.00 3.25 N ATOM 1540 NH2 ARG A 113 20.044 -4.555 6.226 1.00 4.15 N ATOM 0 H ARG A 113 17.368 2.102 6.654 1.00 0.34 H new ATOM 0 HA ARG A 113 17.716 -0.262 5.128 1.00 0.38 H new ATOM 0 HB2 ARG A 113 18.117 0.469 8.021 1.00 0.49 H new ATOM 0 HB3 ARG A 113 18.296 -1.192 7.491 1.00 0.49 H new ATOM 0 HG2 ARG A 113 19.826 1.128 6.264 1.00 1.21 H new ATOM 0 HG3 ARG A 113 20.436 0.159 7.590 1.00 1.21 H new ATOM 0 HD2 ARG A 113 19.639 -0.898 4.842 1.00 1.58 H new ATOM 0 HD3 ARG A 113 21.282 -0.647 5.399 1.00 1.58 H new ATOM 0 HE ARG A 113 20.504 -2.350 7.297 1.00 2.42 H new ATOM 0 HH11 ARG A 113 19.780 -2.416 3.835 1.00 3.25 H new ATOM 0 HH12 ARG A 113 19.581 -4.171 3.794 1.00 3.25 H new ATOM 0 HH21 ARG A 113 20.254 -4.612 7.223 1.00 4.15 H new ATOM 0 HH22 ARG A 113 19.847 -5.405 5.697 1.00 4.15 H new ATOM 1554 N ALA A 114 15.204 -0.148 7.253 1.00 0.34 N ATOM 1555 CA ALA A 114 13.947 -0.785 7.600 1.00 0.34 C ATOM 1556 C ALA A 114 13.094 -0.969 6.353 1.00 0.28 C ATOM 1557 O ALA A 114 12.553 -2.047 6.107 1.00 0.30 O ATOM 1558 CB ALA A 114 13.201 0.026 8.648 1.00 0.40 C ATOM 0 H ALA A 114 15.362 0.752 7.705 1.00 0.34 H new ATOM 0 HA ALA A 114 14.160 -1.766 8.025 1.00 0.34 H new ATOM 0 HB1 ALA A 114 12.262 -0.471 8.892 1.00 0.40 H new ATOM 0 HB2 ALA A 114 13.812 0.109 9.547 1.00 0.40 H new ATOM 0 HB3 ALA A 114 12.993 1.022 8.257 1.00 0.40 H new ATOM 1564 N ALA A 115 13.011 0.088 5.549 1.00 0.26 N ATOM 1565 CA ALA A 115 12.292 0.037 4.287 1.00 0.23 C ATOM 1566 C ALA A 115 12.918 -0.992 3.367 1.00 0.23 C ATOM 1567 O ALA A 115 12.221 -1.748 2.691 1.00 0.25 O ATOM 1568 CB ALA A 115 12.303 1.399 3.617 1.00 0.23 C ATOM 0 H ALA A 115 13.436 0.992 5.754 1.00 0.26 H new ATOM 0 HA ALA A 115 11.260 -0.249 4.490 1.00 0.23 H new ATOM 0 HB1 ALA A 115 11.761 1.345 2.673 1.00 0.23 H new ATOM 0 HB2 ALA A 115 11.824 2.129 4.269 1.00 0.23 H new ATOM 0 HB3 ALA A 115 13.332 1.703 3.427 1.00 0.23 H new ATOM 1574 N LEU A 116 14.242 -1.025 3.364 1.00 0.24 N ATOM 1575 CA LEU A 116 14.969 -1.948 2.522 1.00 0.28 C ATOM 1576 C LEU A 116 14.686 -3.380 2.925 1.00 0.29 C ATOM 1577 O LEU A 116 14.679 -4.253 2.081 1.00 0.30 O ATOM 1578 CB LEU A 116 16.470 -1.683 2.569 1.00 0.32 C ATOM 1579 CG LEU A 116 17.255 -2.406 1.479 1.00 0.40 C ATOM 1580 CD1 LEU A 116 16.747 -1.990 0.114 1.00 0.47 C ATOM 1581 CD2 LEU A 116 18.741 -2.137 1.599 1.00 0.49 C ATOM 0 H LEU A 116 14.831 -0.421 3.937 1.00 0.24 H new ATOM 0 HA LEU A 116 14.626 -1.793 1.499 1.00 0.28 H new ATOM 0 HB2 LEU A 116 16.644 -0.611 2.479 1.00 0.32 H new ATOM 0 HB3 LEU A 116 16.853 -1.987 3.543 1.00 0.32 H new ATOM 0 HG LEU A 116 17.103 -3.478 1.603 1.00 0.40 H new ATOM 0 HD11 LEU A 116 17.313 -2.511 -0.659 1.00 0.47 H new ATOM 0 HD12 LEU A 116 15.691 -2.246 0.025 1.00 0.47 H new ATOM 0 HD13 LEU A 116 16.871 -0.914 -0.008 1.00 0.47 H new ATOM 0 HD21 LEU A 116 19.272 -2.667 0.808 1.00 0.49 H new ATOM 0 HD22 LEU A 116 18.926 -1.067 1.506 1.00 0.49 H new ATOM 0 HD23 LEU A 116 19.096 -2.484 2.569 1.00 0.49 H new ATOM 1593 N ARG A 117 14.440 -3.617 4.207 1.00 0.34 N ATOM 1594 CA ARG A 117 14.087 -4.952 4.671 1.00 0.40 C ATOM 1595 C ARG A 117 12.752 -5.372 4.092 1.00 0.34 C ATOM 1596 O ARG A 117 12.569 -6.520 3.671 1.00 0.35 O ATOM 1597 CB ARG A 117 13.988 -5.003 6.189 1.00 0.57 C ATOM 1598 CG ARG A 117 15.311 -4.873 6.908 1.00 0.70 C ATOM 1599 CD ARG A 117 15.113 -5.029 8.403 1.00 1.01 C ATOM 1600 NE ARG A 117 14.539 -6.335 8.741 1.00 1.90 N ATOM 1601 CZ ARG A 117 14.705 -6.953 9.913 1.00 2.55 C ATOM 1602 NH1 ARG A 117 15.453 -6.411 10.867 1.00 2.45 N ATOM 1603 NH2 ARG A 117 14.123 -8.124 10.133 1.00 3.56 N ATOM 0 H ARG A 117 14.478 -2.908 4.939 1.00 0.34 H new ATOM 0 HA ARG A 117 14.874 -5.629 4.339 1.00 0.40 H new ATOM 0 HB2 ARG A 117 13.327 -4.204 6.524 1.00 0.57 H new ATOM 0 HB3 ARG A 117 13.522 -5.945 6.479 1.00 0.57 H new ATOM 0 HG2 ARG A 117 16.006 -5.630 6.545 1.00 0.70 H new ATOM 0 HG3 ARG A 117 15.756 -3.902 6.692 1.00 0.70 H new ATOM 0 HD2 ARG A 117 16.070 -4.910 8.911 1.00 1.01 H new ATOM 0 HD3 ARG A 117 14.458 -4.238 8.768 1.00 1.01 H new ATOM 0 HE ARG A 117 13.974 -6.804 8.033 1.00 1.90 H new ATOM 0 HH11 ARG A 117 15.909 -5.512 10.709 1.00 2.45 H new ATOM 0 HH12 ARG A 117 15.572 -6.893 11.758 1.00 2.45 H new ATOM 0 HH21 ARG A 117 13.549 -8.552 9.407 1.00 3.56 H new ATOM 0 HH22 ARG A 117 14.250 -8.596 11.028 1.00 3.56 H new ATOM 1617 N ASP A 118 11.815 -4.439 4.069 1.00 0.33 N ATOM 1618 CA ASP A 118 10.489 -4.739 3.579 1.00 0.33 C ATOM 1619 C ASP A 118 10.498 -4.886 2.062 1.00 0.28 C ATOM 1620 O ASP A 118 9.875 -5.799 1.520 1.00 0.31 O ATOM 1621 CB ASP A 118 9.473 -3.698 4.040 1.00 0.40 C ATOM 1622 CG ASP A 118 8.836 -4.089 5.363 1.00 0.63 C ATOM 1623 OD1 ASP A 118 9.477 -3.908 6.415 1.00 1.06 O ATOM 1624 OD2 ASP A 118 7.702 -4.618 5.352 1.00 0.77 O ATOM 0 H ASP A 118 11.950 -3.478 4.382 1.00 0.33 H new ATOM 0 HA ASP A 118 10.179 -5.693 4.005 1.00 0.33 H new ATOM 0 HB2 ASP A 118 9.964 -2.730 4.143 1.00 0.40 H new ATOM 0 HB3 ASP A 118 8.698 -3.583 3.282 1.00 0.40 H new ATOM 1629 N TYR A 119 11.237 -4.008 1.383 1.00 0.24 N ATOM 1630 CA TYR A 119 11.445 -4.138 -0.057 1.00 0.26 C ATOM 1631 C TYR A 119 12.198 -5.421 -0.368 1.00 0.28 C ATOM 1632 O TYR A 119 11.898 -6.109 -1.340 1.00 0.33 O ATOM 1633 CB TYR A 119 12.243 -2.962 -0.619 1.00 0.28 C ATOM 1634 CG TYR A 119 11.471 -1.671 -0.714 1.00 0.33 C ATOM 1635 CD1 TYR A 119 10.233 -1.622 -1.344 1.00 0.38 C ATOM 1636 CD2 TYR A 119 11.986 -0.499 -0.183 1.00 0.38 C ATOM 1637 CE1 TYR A 119 9.531 -0.436 -1.438 1.00 0.46 C ATOM 1638 CE2 TYR A 119 11.294 0.688 -0.273 1.00 0.47 C ATOM 1639 CZ TYR A 119 10.068 0.718 -0.901 1.00 0.50 C ATOM 1640 OH TYR A 119 9.383 1.907 -0.997 1.00 0.60 O ATOM 0 H TYR A 119 11.699 -3.203 1.806 1.00 0.24 H new ATOM 0 HA TYR A 119 10.460 -4.154 -0.523 1.00 0.26 H new ATOM 0 HB2 TYR A 119 13.119 -2.801 0.009 1.00 0.28 H new ATOM 0 HB3 TYR A 119 12.606 -3.227 -1.612 1.00 0.28 H new ATOM 0 HD1 TYR A 119 9.814 -2.524 -1.766 1.00 0.38 H new ATOM 0 HD2 TYR A 119 12.947 -0.517 0.310 1.00 0.38 H new ATOM 0 HE1 TYR A 119 8.569 -0.411 -1.928 1.00 0.46 H new ATOM 0 HE2 TYR A 119 11.710 1.592 0.147 1.00 0.47 H new ATOM 0 HH TYR A 119 10.004 2.654 -0.866 1.00 0.60 H new ATOM 1650 N GLU A 120 13.179 -5.719 0.471 1.00 0.28 N ATOM 1651 CA GLU A 120 13.997 -6.913 0.336 1.00 0.34 C ATOM 1652 C GLU A 120 13.112 -8.141 0.317 1.00 0.37 C ATOM 1653 O GLU A 120 13.286 -9.032 -0.501 1.00 0.43 O ATOM 1654 CB GLU A 120 14.972 -7.010 1.508 1.00 0.36 C ATOM 1655 CG GLU A 120 16.182 -7.883 1.240 1.00 0.42 C ATOM 1656 CD GLU A 120 16.941 -8.225 2.505 1.00 0.48 C ATOM 1657 OE1 GLU A 120 17.726 -7.383 2.982 1.00 0.58 O ATOM 1658 OE2 GLU A 120 16.744 -9.342 3.036 1.00 0.61 O ATOM 0 H GLU A 120 13.431 -5.135 1.269 1.00 0.28 H new ATOM 0 HA GLU A 120 14.557 -6.854 -0.597 1.00 0.34 H new ATOM 0 HB2 GLU A 120 15.312 -6.007 1.767 1.00 0.36 H new ATOM 0 HB3 GLU A 120 14.441 -7.401 2.376 1.00 0.36 H new ATOM 0 HG2 GLU A 120 15.861 -8.804 0.752 1.00 0.42 H new ATOM 0 HG3 GLU A 120 16.849 -7.371 0.547 1.00 0.42 H new ATOM 1665 N THR A 121 12.154 -8.170 1.223 1.00 0.36 N ATOM 1666 CA THR A 121 11.209 -9.260 1.287 1.00 0.40 C ATOM 1667 C THR A 121 10.398 -9.343 -0.004 1.00 0.40 C ATOM 1668 O THR A 121 10.215 -10.422 -0.565 1.00 0.45 O ATOM 1669 CB THR A 121 10.267 -9.087 2.484 1.00 0.41 C ATOM 1670 OG1 THR A 121 11.032 -8.865 3.678 1.00 0.43 O ATOM 1671 CG2 THR A 121 9.394 -10.320 2.646 1.00 0.47 C ATOM 0 H THR A 121 12.012 -7.446 1.927 1.00 0.36 H new ATOM 0 HA THR A 121 11.769 -10.187 1.411 1.00 0.40 H new ATOM 0 HB THR A 121 9.625 -8.224 2.307 1.00 0.41 H new ATOM 0 HG1 THR A 121 11.423 -7.967 3.654 1.00 0.43 H new ATOM 0 HG21 THR A 121 8.729 -10.186 3.499 1.00 0.47 H new ATOM 0 HG22 THR A 121 8.801 -10.467 1.743 1.00 0.47 H new ATOM 0 HG23 THR A 121 10.025 -11.193 2.812 1.00 0.47 H new ATOM 1679 N VAL A 122 9.948 -8.189 -0.482 1.00 0.37 N ATOM 1680 CA VAL A 122 9.197 -8.113 -1.729 1.00 0.39 C ATOM 1681 C VAL A 122 10.027 -8.651 -2.898 1.00 0.44 C ATOM 1682 O VAL A 122 9.540 -9.449 -3.702 1.00 0.50 O ATOM 1683 CB VAL A 122 8.764 -6.662 -2.033 1.00 0.38 C ATOM 1684 CG1 VAL A 122 8.011 -6.578 -3.351 1.00 0.43 C ATOM 1685 CG2 VAL A 122 7.911 -6.112 -0.903 1.00 0.36 C ATOM 0 H VAL A 122 10.091 -7.290 -0.023 1.00 0.37 H new ATOM 0 HA VAL A 122 8.305 -8.728 -1.609 1.00 0.39 H new ATOM 0 HB VAL A 122 9.666 -6.056 -2.119 1.00 0.38 H new ATOM 0 HG11 VAL A 122 7.719 -5.545 -3.538 1.00 0.43 H new ATOM 0 HG12 VAL A 122 8.654 -6.926 -4.160 1.00 0.43 H new ATOM 0 HG13 VAL A 122 7.120 -7.203 -3.301 1.00 0.43 H new ATOM 0 HG21 VAL A 122 7.615 -5.089 -1.135 1.00 0.36 H new ATOM 0 HG22 VAL A 122 7.020 -6.729 -0.786 1.00 0.36 H new ATOM 0 HG23 VAL A 122 8.484 -6.123 0.024 1.00 0.36 H new ATOM 1695 N VAL A 123 11.287 -8.236 -2.970 1.00 0.44 N ATOM 1696 CA VAL A 123 12.165 -8.647 -4.059 1.00 0.51 C ATOM 1697 C VAL A 123 12.635 -10.093 -3.874 1.00 0.57 C ATOM 1698 O VAL A 123 13.061 -10.742 -4.820 1.00 0.67 O ATOM 1699 CB VAL A 123 13.383 -7.696 -4.199 1.00 0.50 C ATOM 1700 CG1 VAL A 123 14.410 -7.926 -3.101 1.00 0.48 C ATOM 1701 CG2 VAL A 123 14.018 -7.827 -5.575 1.00 0.59 C ATOM 0 H VAL A 123 11.723 -7.616 -2.288 1.00 0.44 H new ATOM 0 HA VAL A 123 11.585 -8.589 -4.980 1.00 0.51 H new ATOM 0 HB VAL A 123 13.014 -6.676 -4.088 1.00 0.50 H new ATOM 0 HG11 VAL A 123 15.246 -7.240 -3.236 1.00 0.48 H new ATOM 0 HG12 VAL A 123 13.949 -7.750 -2.129 1.00 0.48 H new ATOM 0 HG13 VAL A 123 14.771 -8.953 -3.150 1.00 0.48 H new ATOM 0 HG21 VAL A 123 14.869 -7.150 -5.649 1.00 0.59 H new ATOM 0 HG22 VAL A 123 14.356 -8.853 -5.724 1.00 0.59 H new ATOM 0 HG23 VAL A 123 13.285 -7.572 -6.340 1.00 0.59 H new ATOM 1711 N LYS A 124 12.545 -10.598 -2.651 1.00 0.55 N ATOM 1712 CA LYS A 124 12.894 -11.989 -2.384 1.00 0.61 C ATOM 1713 C LYS A 124 11.760 -12.918 -2.791 1.00 0.63 C ATOM 1714 O LYS A 124 11.969 -14.114 -2.997 1.00 0.72 O ATOM 1715 CB LYS A 124 13.267 -12.200 -0.912 1.00 0.62 C ATOM 1716 CG LYS A 124 14.657 -11.674 -0.579 1.00 0.67 C ATOM 1717 CD LYS A 124 15.053 -11.917 0.869 1.00 0.75 C ATOM 1718 CE LYS A 124 14.136 -11.191 1.835 1.00 0.67 C ATOM 1719 NZ LYS A 124 14.719 -11.116 3.200 1.00 1.07 N ATOM 0 H LYS A 124 12.236 -10.072 -1.834 1.00 0.55 H new ATOM 0 HA LYS A 124 13.770 -12.232 -2.986 1.00 0.61 H new ATOM 0 HB2 LYS A 124 12.533 -11.701 -0.280 1.00 0.62 H new ATOM 0 HB3 LYS A 124 13.219 -13.263 -0.678 1.00 0.62 H new ATOM 0 HG2 LYS A 124 15.386 -12.150 -1.234 1.00 0.67 H new ATOM 0 HG3 LYS A 124 14.694 -10.604 -0.785 1.00 0.67 H new ATOM 0 HD2 LYS A 124 15.027 -12.986 1.078 1.00 0.75 H new ATOM 0 HD3 LYS A 124 16.080 -11.586 1.025 1.00 0.75 H new ATOM 0 HE2 LYS A 124 13.944 -10.183 1.466 1.00 0.67 H new ATOM 0 HE3 LYS A 124 13.175 -11.703 1.878 1.00 0.67 H new ATOM 0 HZ1 LYS A 124 13.975 -10.866 3.882 1.00 1.07 H new ATOM 0 HZ2 LYS A 124 15.126 -12.038 3.455 1.00 1.07 H new ATOM 0 HZ3 LYS A 124 15.464 -10.391 3.220 1.00 1.07 H new ATOM 1733 N VAL A 125 10.562 -12.365 -2.904 1.00 0.59 N ATOM 1734 CA VAL A 125 9.421 -13.128 -3.383 1.00 0.63 C ATOM 1735 C VAL A 125 9.336 -13.064 -4.908 1.00 0.69 C ATOM 1736 O VAL A 125 9.086 -14.077 -5.565 1.00 0.75 O ATOM 1737 CB VAL A 125 8.102 -12.627 -2.761 1.00 0.60 C ATOM 1738 CG1 VAL A 125 6.916 -13.422 -3.289 1.00 0.66 C ATOM 1739 CG2 VAL A 125 8.169 -12.718 -1.242 1.00 0.59 C ATOM 0 H VAL A 125 10.356 -11.394 -2.671 1.00 0.59 H new ATOM 0 HA VAL A 125 9.568 -14.163 -3.076 1.00 0.63 H new ATOM 0 HB VAL A 125 7.964 -11.584 -3.045 1.00 0.60 H new ATOM 0 HG11 VAL A 125 5.997 -13.050 -2.835 1.00 0.66 H new ATOM 0 HG12 VAL A 125 6.857 -13.311 -4.372 1.00 0.66 H new ATOM 0 HG13 VAL A 125 7.043 -14.475 -3.038 1.00 0.66 H new ATOM 0 HG21 VAL A 125 7.232 -12.361 -0.814 1.00 0.59 H new ATOM 0 HG22 VAL A 125 8.332 -13.754 -0.946 1.00 0.59 H new ATOM 0 HG23 VAL A 125 8.992 -12.103 -0.877 1.00 0.59 H new ATOM 1749 N LYS A 126 9.554 -11.877 -5.471 1.00 0.68 N ATOM 1750 CA LYS A 126 9.579 -11.720 -6.920 1.00 0.76 C ATOM 1751 C LYS A 126 10.700 -10.779 -7.370 1.00 0.75 C ATOM 1752 O LYS A 126 10.497 -9.583 -7.564 1.00 0.73 O ATOM 1753 CB LYS A 126 8.210 -11.284 -7.474 1.00 0.80 C ATOM 1754 CG LYS A 126 7.346 -10.450 -6.527 1.00 0.73 C ATOM 1755 CD LYS A 126 7.625 -8.962 -6.649 1.00 0.71 C ATOM 1756 CE LYS A 126 6.380 -8.136 -6.334 1.00 0.73 C ATOM 1757 NZ LYS A 126 6.592 -6.679 -6.555 1.00 1.12 N ATOM 0 H LYS A 126 9.715 -11.016 -4.948 1.00 0.68 H new ATOM 0 HA LYS A 126 9.795 -12.701 -7.343 1.00 0.76 H new ATOM 0 HB2 LYS A 126 8.374 -10.711 -8.386 1.00 0.80 H new ATOM 0 HB3 LYS A 126 7.651 -12.177 -7.755 1.00 0.80 H new ATOM 0 HG2 LYS A 126 6.293 -10.638 -6.739 1.00 0.73 H new ATOM 0 HG3 LYS A 126 7.526 -10.768 -5.500 1.00 0.73 H new ATOM 0 HD2 LYS A 126 8.430 -8.684 -5.969 1.00 0.71 H new ATOM 0 HD3 LYS A 126 7.968 -8.736 -7.659 1.00 0.71 H new ATOM 0 HE2 LYS A 126 5.554 -8.478 -6.957 1.00 0.73 H new ATOM 0 HE3 LYS A 126 6.089 -8.304 -5.297 1.00 0.73 H new ATOM 0 HZ1 LYS A 126 5.671 -6.201 -6.628 1.00 1.12 H new ATOM 0 HZ2 LYS A 126 7.126 -6.281 -5.756 1.00 1.12 H new ATOM 0 HZ3 LYS A 126 7.127 -6.536 -7.435 1.00 1.12 H new ATOM 1771 N PRO A 127 11.913 -11.333 -7.529 1.00 0.80 N ATOM 1772 CA PRO A 127 13.106 -10.578 -7.934 1.00 0.83 C ATOM 1773 C PRO A 127 13.157 -10.311 -9.432 1.00 0.92 C ATOM 1774 O PRO A 127 14.012 -9.571 -9.915 1.00 0.96 O ATOM 1775 CB PRO A 127 14.250 -11.505 -7.535 1.00 0.87 C ATOM 1776 CG PRO A 127 13.674 -12.873 -7.647 1.00 0.97 C ATOM 1777 CD PRO A 127 12.218 -12.751 -7.284 1.00 0.86 C ATOM 0 HA PRO A 127 13.136 -9.593 -7.469 1.00 0.83 H new ATOM 0 HB2 PRO A 127 15.110 -11.381 -8.193 1.00 0.87 H new ATOM 0 HB3 PRO A 127 14.592 -11.300 -6.521 1.00 0.87 H new ATOM 0 HG2 PRO A 127 13.791 -13.262 -8.658 1.00 0.97 H new ATOM 0 HG3 PRO A 127 14.185 -13.566 -6.978 1.00 0.97 H new ATOM 0 HD2 PRO A 127 11.597 -13.405 -7.896 1.00 0.86 H new ATOM 0 HD3 PRO A 127 12.041 -13.024 -6.244 1.00 0.86 H new ATOM 1785 N HIS A 128 12.247 -10.927 -10.166 1.00 0.99 N ATOM 1786 CA HIS A 128 12.170 -10.724 -11.606 1.00 1.12 C ATOM 1787 C HIS A 128 11.125 -9.669 -11.906 1.00 1.04 C ATOM 1788 O HIS A 128 10.761 -9.435 -13.059 1.00 1.11 O ATOM 1789 CB HIS A 128 11.825 -12.032 -12.327 1.00 1.33 C ATOM 1790 CG HIS A 128 12.873 -13.093 -12.194 1.00 2.00 C ATOM 1791 ND1 HIS A 128 13.856 -13.305 -13.133 1.00 2.75 N ATOM 1792 CD2 HIS A 128 13.089 -14.004 -11.218 1.00 2.49 C ATOM 1793 CE1 HIS A 128 14.631 -14.298 -12.741 1.00 3.56 C ATOM 1794 NE2 HIS A 128 14.187 -14.741 -11.583 1.00 3.37 N ATOM 0 H HIS A 128 11.551 -11.572 -9.791 1.00 0.99 H new ATOM 0 HA HIS A 128 13.142 -10.390 -11.968 1.00 1.12 H new ATOM 0 HB2 HIS A 128 10.883 -12.414 -11.934 1.00 1.33 H new ATOM 0 HB3 HIS A 128 11.667 -11.822 -13.385 1.00 1.33 H new ATOM 0 HD2 HIS A 128 12.505 -14.128 -10.318 1.00 2.49 H new ATOM 0 HE1 HIS A 128 15.485 -14.683 -13.279 1.00 3.56 H new ATOM 0 HE2 HIS A 128 14.593 -15.507 -11.045 1.00 3.37 H new ATOM 1803 N ASP A 129 10.657 -9.027 -10.850 1.00 0.92 N ATOM 1804 CA ASP A 129 9.596 -8.046 -10.960 1.00 0.89 C ATOM 1805 C ASP A 129 10.115 -6.624 -10.786 1.00 0.83 C ATOM 1806 O ASP A 129 10.705 -6.280 -9.759 1.00 0.80 O ATOM 1807 CB ASP A 129 8.512 -8.341 -9.939 1.00 0.89 C ATOM 1808 CG ASP A 129 7.457 -7.271 -9.912 1.00 0.89 C ATOM 1809 OD1 ASP A 129 6.617 -7.221 -10.834 1.00 1.09 O ATOM 1810 OD2 ASP A 129 7.470 -6.467 -8.972 1.00 1.11 O ATOM 0 H ASP A 129 11.000 -9.170 -9.900 1.00 0.92 H new ATOM 0 HA ASP A 129 9.178 -8.118 -11.964 1.00 0.89 H new ATOM 0 HB2 ASP A 129 8.049 -9.301 -10.169 1.00 0.89 H new ATOM 0 HB3 ASP A 129 8.961 -8.432 -8.950 1.00 0.89 H new ATOM 1815 N LYS A 130 9.898 -5.817 -11.818 1.00 0.85 N ATOM 1816 CA LYS A 130 10.270 -4.399 -11.827 1.00 0.89 C ATOM 1817 C LYS A 130 9.762 -3.650 -10.590 1.00 0.84 C ATOM 1818 O LYS A 130 10.456 -2.788 -10.064 1.00 0.84 O ATOM 1819 CB LYS A 130 9.739 -3.705 -13.099 1.00 1.04 C ATOM 1820 CG LYS A 130 8.243 -3.360 -13.078 1.00 1.18 C ATOM 1821 CD LYS A 130 7.341 -4.590 -13.023 1.00 1.44 C ATOM 1822 CE LYS A 130 5.947 -4.235 -12.523 1.00 2.28 C ATOM 1823 NZ LYS A 130 5.140 -5.444 -12.205 1.00 3.05 N ATOM 0 H LYS A 130 9.455 -6.127 -12.683 1.00 0.85 H new ATOM 0 HA LYS A 130 11.359 -4.365 -11.814 1.00 0.89 H new ATOM 0 HB2 LYS A 130 10.305 -2.787 -13.256 1.00 1.04 H new ATOM 0 HB3 LYS A 130 9.935 -4.351 -13.955 1.00 1.04 H new ATOM 0 HG2 LYS A 130 8.035 -2.727 -12.216 1.00 1.18 H new ATOM 0 HG3 LYS A 130 7.999 -2.778 -13.967 1.00 1.18 H new ATOM 0 HD2 LYS A 130 7.271 -5.036 -14.015 1.00 1.44 H new ATOM 0 HD3 LYS A 130 7.785 -5.339 -12.367 1.00 1.44 H new ATOM 0 HE2 LYS A 130 6.030 -3.611 -11.633 1.00 2.28 H new ATOM 0 HE3 LYS A 130 5.431 -3.644 -13.280 1.00 2.28 H new ATOM 0 HZ1 LYS A 130 4.491 -5.232 -11.420 1.00 3.05 H new ATOM 0 HZ2 LYS A 130 4.591 -5.725 -13.042 1.00 3.05 H new ATOM 0 HZ3 LYS A 130 5.773 -6.222 -11.930 1.00 3.05 H new ATOM 1837 N ASP A 131 8.563 -3.996 -10.128 1.00 0.86 N ATOM 1838 CA ASP A 131 7.921 -3.289 -9.022 1.00 0.90 C ATOM 1839 C ASP A 131 8.699 -3.515 -7.741 1.00 0.77 C ATOM 1840 O ASP A 131 8.992 -2.576 -7.000 1.00 0.80 O ATOM 1841 CB ASP A 131 6.476 -3.772 -8.867 1.00 1.05 C ATOM 1842 CG ASP A 131 5.800 -3.248 -7.614 1.00 1.45 C ATOM 1843 OD1 ASP A 131 5.487 -2.039 -7.561 1.00 1.60 O ATOM 1844 OD2 ASP A 131 5.569 -4.056 -6.685 1.00 1.82 O ATOM 0 H ASP A 131 8.013 -4.767 -10.505 1.00 0.86 H new ATOM 0 HA ASP A 131 7.911 -2.220 -9.236 1.00 0.90 H new ATOM 0 HB2 ASP A 131 5.901 -3.461 -9.739 1.00 1.05 H new ATOM 0 HB3 ASP A 131 6.464 -4.862 -8.849 1.00 1.05 H new ATOM 1849 N ALA A 132 9.048 -4.771 -7.511 1.00 0.69 N ATOM 1850 CA ALA A 132 9.845 -5.151 -6.361 1.00 0.62 C ATOM 1851 C ALA A 132 11.224 -4.532 -6.444 1.00 0.59 C ATOM 1852 O ALA A 132 11.687 -3.894 -5.499 1.00 0.56 O ATOM 1853 CB ALA A 132 9.967 -6.663 -6.279 1.00 0.65 C ATOM 0 H ALA A 132 8.787 -5.551 -8.115 1.00 0.69 H new ATOM 0 HA ALA A 132 9.346 -4.785 -5.464 1.00 0.62 H new ATOM 0 HB1 ALA A 132 10.568 -6.933 -5.411 1.00 0.65 H new ATOM 0 HB2 ALA A 132 8.974 -7.104 -6.184 1.00 0.65 H new ATOM 0 HB3 ALA A 132 10.446 -7.039 -7.183 1.00 0.65 H new ATOM 1859 N LYS A 133 11.873 -4.722 -7.588 1.00 0.63 N ATOM 1860 CA LYS A 133 13.224 -4.221 -7.786 1.00 0.66 C ATOM 1861 C LYS A 133 13.273 -2.711 -7.640 1.00 0.65 C ATOM 1862 O LYS A 133 13.957 -2.209 -6.767 1.00 0.63 O ATOM 1863 CB LYS A 133 13.775 -4.618 -9.158 1.00 0.74 C ATOM 1864 CG LYS A 133 13.804 -6.112 -9.398 1.00 0.75 C ATOM 1865 CD LYS A 133 14.696 -6.498 -10.573 1.00 0.95 C ATOM 1866 CE LYS A 133 14.156 -6.001 -11.908 1.00 1.21 C ATOM 1867 NZ LYS A 133 14.524 -4.585 -12.175 1.00 1.93 N ATOM 0 H LYS A 133 11.484 -5.219 -8.390 1.00 0.63 H new ATOM 0 HA LYS A 133 13.847 -4.675 -7.015 1.00 0.66 H new ATOM 0 HB2 LYS A 133 13.169 -4.147 -9.932 1.00 0.74 H new ATOM 0 HB3 LYS A 133 14.786 -4.224 -9.261 1.00 0.74 H new ATOM 0 HG2 LYS A 133 14.157 -6.614 -8.498 1.00 0.75 H new ATOM 0 HG3 LYS A 133 12.790 -6.467 -9.584 1.00 0.75 H new ATOM 0 HD2 LYS A 133 15.695 -6.091 -10.415 1.00 0.95 H new ATOM 0 HD3 LYS A 133 14.796 -7.583 -10.607 1.00 0.95 H new ATOM 0 HE2 LYS A 133 14.540 -6.631 -12.710 1.00 1.21 H new ATOM 0 HE3 LYS A 133 13.071 -6.100 -11.918 1.00 1.21 H new ATOM 0 HZ1 LYS A 133 13.667 -3.996 -12.164 1.00 1.93 H new ATOM 0 HZ2 LYS A 133 15.182 -4.253 -11.441 1.00 1.93 H new ATOM 0 HZ3 LYS A 133 14.980 -4.515 -13.107 1.00 1.93 H new ATOM 1881 N MET A 134 12.510 -2.006 -8.472 1.00 0.68 N ATOM 1882 CA MET A 134 12.581 -0.545 -8.573 1.00 0.72 C ATOM 1883 C MET A 134 12.754 0.130 -7.220 1.00 0.65 C ATOM 1884 O MET A 134 13.709 0.872 -7.007 1.00 0.68 O ATOM 1885 CB MET A 134 11.321 -0.003 -9.245 1.00 0.78 C ATOM 1886 CG MET A 134 11.282 1.515 -9.337 1.00 0.84 C ATOM 1887 SD MET A 134 9.706 2.122 -9.972 1.00 0.97 S ATOM 1888 CE MET A 134 9.581 1.200 -11.505 1.00 1.61 C ATOM 0 H MET A 134 11.824 -2.429 -9.097 1.00 0.68 H new ATOM 0 HA MET A 134 13.461 -0.315 -9.173 1.00 0.72 H new ATOM 0 HB2 MET A 134 11.247 -0.421 -10.249 1.00 0.78 H new ATOM 0 HB3 MET A 134 10.448 -0.347 -8.691 1.00 0.78 H new ATOM 0 HG2 MET A 134 11.462 1.941 -8.350 1.00 0.84 H new ATOM 0 HG3 MET A 134 12.089 1.858 -9.985 1.00 0.84 H new ATOM 0 HE1 MET A 134 8.991 1.768 -12.224 1.00 1.61 H new ATOM 0 HE2 MET A 134 10.579 1.029 -11.909 1.00 1.61 H new ATOM 0 HE3 MET A 134 9.097 0.242 -11.315 1.00 1.61 H new ATOM 1898 N LYS A 135 11.841 -0.146 -6.306 1.00 0.59 N ATOM 1899 CA LYS A 135 11.853 0.502 -5.007 1.00 0.54 C ATOM 1900 C LYS A 135 12.872 -0.146 -4.068 1.00 0.48 C ATOM 1901 O LYS A 135 13.416 0.522 -3.189 1.00 0.46 O ATOM 1902 CB LYS A 135 10.455 0.482 -4.402 1.00 0.54 C ATOM 1903 CG LYS A 135 9.608 1.705 -4.741 1.00 0.65 C ATOM 1904 CD LYS A 135 9.511 1.933 -6.241 1.00 0.76 C ATOM 1905 CE LYS A 135 8.376 2.881 -6.593 1.00 1.05 C ATOM 1906 NZ LYS A 135 7.043 2.265 -6.355 1.00 1.94 N ATOM 0 H LYS A 135 11.082 -0.814 -6.439 1.00 0.59 H new ATOM 0 HA LYS A 135 12.158 1.539 -5.143 1.00 0.54 H new ATOM 0 HB2 LYS A 135 9.935 -0.412 -4.746 1.00 0.54 H new ATOM 0 HB3 LYS A 135 10.542 0.403 -3.318 1.00 0.54 H new ATOM 0 HG2 LYS A 135 8.607 1.579 -4.328 1.00 0.65 H new ATOM 0 HG3 LYS A 135 10.039 2.587 -4.267 1.00 0.65 H new ATOM 0 HD2 LYS A 135 10.453 2.340 -6.609 1.00 0.76 H new ATOM 0 HD3 LYS A 135 9.358 0.979 -6.745 1.00 0.76 H new ATOM 0 HE2 LYS A 135 8.466 3.791 -6.000 1.00 1.05 H new ATOM 0 HE3 LYS A 135 8.459 3.173 -7.640 1.00 1.05 H new ATOM 0 HZ1 LYS A 135 6.485 2.295 -7.232 1.00 1.94 H new ATOM 0 HZ2 LYS A 135 7.166 1.276 -6.056 1.00 1.94 H new ATOM 0 HZ3 LYS A 135 6.545 2.793 -5.610 1.00 1.94 H new ATOM 1920 N TYR A 136 13.139 -1.438 -4.261 1.00 0.48 N ATOM 1921 CA TYR A 136 14.205 -2.109 -3.519 1.00 0.46 C ATOM 1922 C TYR A 136 15.528 -1.427 -3.800 1.00 0.47 C ATOM 1923 O TYR A 136 16.239 -1.011 -2.894 1.00 0.48 O ATOM 1924 CB TYR A 136 14.325 -3.589 -3.919 1.00 0.48 C ATOM 1925 CG TYR A 136 15.529 -4.273 -3.306 1.00 0.48 C ATOM 1926 CD1 TYR A 136 15.540 -4.639 -1.968 1.00 0.48 C ATOM 1927 CD2 TYR A 136 16.662 -4.535 -4.067 1.00 0.54 C ATOM 1928 CE1 TYR A 136 16.646 -5.244 -1.404 1.00 0.51 C ATOM 1929 CE2 TYR A 136 17.771 -5.144 -3.511 1.00 0.57 C ATOM 1930 CZ TYR A 136 17.759 -5.495 -2.178 1.00 0.54 C ATOM 1931 OH TYR A 136 18.864 -6.091 -1.617 1.00 0.59 O ATOM 0 H TYR A 136 12.637 -2.035 -4.918 1.00 0.48 H new ATOM 0 HA TYR A 136 13.958 -2.050 -2.459 1.00 0.46 H new ATOM 0 HB2 TYR A 136 13.421 -4.116 -3.615 1.00 0.48 H new ATOM 0 HB3 TYR A 136 14.386 -3.662 -5.005 1.00 0.48 H new ATOM 0 HD1 TYR A 136 14.670 -4.448 -1.358 1.00 0.48 H new ATOM 0 HD2 TYR A 136 16.676 -4.258 -5.111 1.00 0.54 H new ATOM 0 HE1 TYR A 136 16.639 -5.520 -0.360 1.00 0.51 H new ATOM 0 HE2 TYR A 136 18.642 -5.344 -4.117 1.00 0.57 H new ATOM 0 HH TYR A 136 19.560 -6.197 -2.299 1.00 0.59 H new ATOM 1941 N GLN A 137 15.823 -1.298 -5.079 1.00 0.49 N ATOM 1942 CA GLN A 137 17.087 -0.768 -5.543 1.00 0.51 C ATOM 1943 C GLN A 137 17.153 0.716 -5.254 1.00 0.53 C ATOM 1944 O GLN A 137 18.224 1.276 -5.035 1.00 0.57 O ATOM 1945 CB GLN A 137 17.211 -1.035 -7.038 1.00 0.55 C ATOM 1946 CG GLN A 137 16.654 -2.398 -7.425 1.00 0.61 C ATOM 1947 CD GLN A 137 16.743 -2.708 -8.895 1.00 1.17 C ATOM 1948 OE1 GLN A 137 15.914 -2.272 -9.694 1.00 2.09 O ATOM 1949 NE2 GLN A 137 17.687 -3.548 -9.244 1.00 1.24 N ATOM 0 H GLN A 137 15.185 -1.561 -5.831 1.00 0.49 H new ATOM 0 HA GLN A 137 17.914 -1.253 -5.024 1.00 0.51 H new ATOM 0 HB2 GLN A 137 16.682 -0.258 -7.590 1.00 0.55 H new ATOM 0 HB3 GLN A 137 18.259 -0.976 -7.331 1.00 0.55 H new ATOM 0 HG2 GLN A 137 17.190 -3.168 -6.870 1.00 0.61 H new ATOM 0 HG3 GLN A 137 15.610 -2.452 -7.117 1.00 0.61 H new ATOM 0 HE21 GLN A 137 18.353 -3.884 -8.549 1.00 1.24 H new ATOM 0 HE22 GLN A 137 17.755 -3.866 -10.211 1.00 1.24 H new ATOM 1958 N GLU A 138 15.985 1.335 -5.255 1.00 0.53 N ATOM 1959 CA GLU A 138 15.839 2.729 -4.891 1.00 0.57 C ATOM 1960 C GLU A 138 16.229 2.950 -3.431 1.00 0.54 C ATOM 1961 O GLU A 138 17.029 3.826 -3.127 1.00 0.60 O ATOM 1962 CB GLU A 138 14.396 3.158 -5.137 1.00 0.60 C ATOM 1963 CG GLU A 138 14.034 4.506 -4.536 1.00 0.69 C ATOM 1964 CD GLU A 138 13.618 5.516 -5.585 1.00 1.33 C ATOM 1965 OE1 GLU A 138 14.502 6.199 -6.145 1.00 1.46 O ATOM 1966 OE2 GLU A 138 12.402 5.634 -5.854 1.00 2.04 O ATOM 0 H GLU A 138 15.108 0.880 -5.510 1.00 0.53 H new ATOM 0 HA GLU A 138 16.505 3.335 -5.505 1.00 0.57 H new ATOM 0 HB2 GLU A 138 14.218 3.193 -6.212 1.00 0.60 H new ATOM 0 HB3 GLU A 138 13.729 2.400 -4.727 1.00 0.60 H new ATOM 0 HG2 GLU A 138 13.222 4.375 -3.820 1.00 0.69 H new ATOM 0 HG3 GLU A 138 14.888 4.894 -3.981 1.00 0.69 H new ATOM 1973 N CYS A 139 15.680 2.148 -2.530 1.00 0.47 N ATOM 1974 CA CYS A 139 16.023 2.271 -1.122 1.00 0.44 C ATOM 1975 C CYS A 139 17.449 1.785 -0.896 1.00 0.43 C ATOM 1976 O CYS A 139 18.187 2.337 -0.082 1.00 0.42 O ATOM 1977 CB CYS A 139 15.056 1.473 -0.244 1.00 0.42 C ATOM 1978 SG CYS A 139 14.891 2.127 1.431 1.00 1.06 S ATOM 0 H CYS A 139 15.004 1.415 -2.745 1.00 0.47 H new ATOM 0 HA CYS A 139 15.945 3.322 -0.842 1.00 0.44 H new ATOM 0 HB2 CYS A 139 14.075 1.460 -0.718 1.00 0.42 H new ATOM 0 HB3 CYS A 139 15.397 0.439 -0.189 1.00 0.42 H new ATOM 0 HG CYS A 139 15.472 1.322 2.270 1.00 1.06 H new ATOM 1984 N ASN A 140 17.828 0.755 -1.643 1.00 0.45 N ATOM 1985 CA ASN A 140 19.161 0.175 -1.552 1.00 0.48 C ATOM 1986 C ASN A 140 20.220 1.220 -1.871 1.00 0.52 C ATOM 1987 O ASN A 140 21.161 1.415 -1.103 1.00 0.54 O ATOM 1988 CB ASN A 140 19.290 -1.019 -2.505 1.00 0.52 C ATOM 1989 CG ASN A 140 20.625 -1.727 -2.386 1.00 0.60 C ATOM 1990 OD1 ASN A 140 20.793 -2.617 -1.553 1.00 1.22 O ATOM 1991 ND2 ASN A 140 21.573 -1.356 -3.230 1.00 1.13 N ATOM 0 H ASN A 140 17.222 0.300 -2.326 1.00 0.45 H new ATOM 0 HA ASN A 140 19.315 -0.175 -0.531 1.00 0.48 H new ATOM 0 HB2 ASN A 140 18.488 -1.729 -2.301 1.00 0.52 H new ATOM 0 HB3 ASN A 140 19.157 -0.675 -3.531 1.00 0.52 H new ATOM 0 HD21 ASN A 140 22.485 -1.813 -3.206 1.00 1.13 H new ATOM 0 HD22 ASN A 140 21.392 -0.613 -3.905 1.00 1.13 H new ATOM 1998 N LYS A 141 20.050 1.909 -2.997 1.00 0.56 N ATOM 1999 CA LYS A 141 20.997 2.942 -3.392 1.00 0.63 C ATOM 2000 C LYS A 141 20.997 4.080 -2.381 1.00 0.60 C ATOM 2001 O LYS A 141 22.043 4.647 -2.097 1.00 0.65 O ATOM 2002 CB LYS A 141 20.690 3.487 -4.791 1.00 0.70 C ATOM 2003 CG LYS A 141 19.335 4.157 -4.903 1.00 0.69 C ATOM 2004 CD LYS A 141 19.218 4.980 -6.168 1.00 0.81 C ATOM 2005 CE LYS A 141 17.811 5.531 -6.330 1.00 0.85 C ATOM 2006 NZ LYS A 141 17.650 6.299 -7.591 1.00 1.15 N ATOM 0 H LYS A 141 19.274 1.771 -3.644 1.00 0.56 H new ATOM 0 HA LYS A 141 21.986 2.484 -3.418 1.00 0.63 H new ATOM 0 HB2 LYS A 141 21.463 4.203 -5.069 1.00 0.70 H new ATOM 0 HB3 LYS A 141 20.741 2.668 -5.509 1.00 0.70 H new ATOM 0 HG2 LYS A 141 18.552 3.399 -4.889 1.00 0.69 H new ATOM 0 HG3 LYS A 141 19.174 4.798 -4.036 1.00 0.69 H new ATOM 0 HD2 LYS A 141 19.933 5.802 -6.139 1.00 0.81 H new ATOM 0 HD3 LYS A 141 19.473 4.365 -7.031 1.00 0.81 H new ATOM 0 HE2 LYS A 141 17.097 4.708 -6.314 1.00 0.85 H new ATOM 0 HE3 LYS A 141 17.575 6.174 -5.482 1.00 0.85 H new ATOM 0 HZ1 LYS A 141 16.675 6.655 -7.658 1.00 1.15 H new ATOM 0 HZ2 LYS A 141 18.313 7.100 -7.596 1.00 1.15 H new ATOM 0 HZ3 LYS A 141 17.849 5.680 -8.402 1.00 1.15 H new ATOM 2020 N ILE A 142 19.826 4.397 -1.827 1.00 0.54 N ATOM 2021 CA ILE A 142 19.716 5.456 -0.830 1.00 0.52 C ATOM 2022 C ILE A 142 20.494 5.099 0.430 1.00 0.49 C ATOM 2023 O ILE A 142 21.128 5.958 1.051 1.00 0.51 O ATOM 2024 CB ILE A 142 18.247 5.782 -0.496 1.00 0.50 C ATOM 2025 CG1 ILE A 142 17.596 6.457 -1.702 1.00 0.58 C ATOM 2026 CG2 ILE A 142 18.158 6.676 0.730 1.00 0.49 C ATOM 2027 CD1 ILE A 142 16.183 6.941 -1.450 1.00 0.60 C ATOM 0 H ILE A 142 18.945 3.936 -2.053 1.00 0.54 H new ATOM 0 HA ILE A 142 20.156 6.355 -1.262 1.00 0.52 H new ATOM 0 HB ILE A 142 17.717 4.856 -0.270 1.00 0.50 H new ATOM 0 HG12 ILE A 142 18.210 7.304 -2.006 1.00 0.58 H new ATOM 0 HG13 ILE A 142 17.585 5.755 -2.536 1.00 0.58 H new ATOM 0 HG21 ILE A 142 17.112 6.893 0.947 1.00 0.49 H new ATOM 0 HG22 ILE A 142 18.608 6.169 1.584 1.00 0.49 H new ATOM 0 HG23 ILE A 142 18.690 7.608 0.540 1.00 0.49 H new ATOM 0 HD11 ILE A 142 15.792 7.408 -2.354 1.00 0.60 H new ATOM 0 HD12 ILE A 142 15.552 6.095 -1.176 1.00 0.60 H new ATOM 0 HD13 ILE A 142 16.187 7.669 -0.638 1.00 0.60 H new ATOM 2039 N VAL A 143 20.473 3.828 0.789 1.00 0.46 N ATOM 2040 CA VAL A 143 21.312 3.336 1.869 1.00 0.47 C ATOM 2041 C VAL A 143 22.783 3.631 1.567 1.00 0.56 C ATOM 2042 O VAL A 143 23.560 3.994 2.454 1.00 0.59 O ATOM 2043 CB VAL A 143 21.123 1.821 2.086 1.00 0.47 C ATOM 2044 CG1 VAL A 143 22.169 1.281 3.043 1.00 0.55 C ATOM 2045 CG2 VAL A 143 19.723 1.527 2.605 1.00 0.41 C ATOM 0 H VAL A 143 19.886 3.119 0.350 1.00 0.46 H new ATOM 0 HA VAL A 143 21.014 3.851 2.782 1.00 0.47 H new ATOM 0 HB VAL A 143 21.248 1.320 1.126 1.00 0.47 H new ATOM 0 HG11 VAL A 143 22.017 0.211 3.182 1.00 0.55 H new ATOM 0 HG12 VAL A 143 23.163 1.456 2.632 1.00 0.55 H new ATOM 0 HG13 VAL A 143 22.079 1.788 4.004 1.00 0.55 H new ATOM 0 HG21 VAL A 143 19.608 0.453 2.752 1.00 0.41 H new ATOM 0 HG22 VAL A 143 19.571 2.042 3.554 1.00 0.41 H new ATOM 0 HG23 VAL A 143 18.986 1.875 1.881 1.00 0.41 H new ATOM 2055 N LYS A 144 23.150 3.502 0.299 1.00 0.63 N ATOM 2056 CA LYS A 144 24.521 3.749 -0.129 1.00 0.74 C ATOM 2057 C LYS A 144 24.792 5.249 -0.231 1.00 0.76 C ATOM 2058 O LYS A 144 25.936 5.683 -0.109 1.00 0.85 O ATOM 2059 CB LYS A 144 24.794 3.076 -1.475 1.00 0.84 C ATOM 2060 CG LYS A 144 24.078 1.748 -1.635 1.00 0.83 C ATOM 2061 CD LYS A 144 24.496 1.024 -2.902 1.00 1.10 C ATOM 2062 CE LYS A 144 25.837 0.339 -2.729 1.00 1.57 C ATOM 2063 NZ LYS A 144 26.329 -0.254 -3.999 1.00 2.23 N ATOM 0 H LYS A 144 22.517 3.227 -0.452 1.00 0.63 H new ATOM 0 HA LYS A 144 25.190 3.323 0.618 1.00 0.74 H new ATOM 0 HB2 LYS A 144 24.487 3.746 -2.278 1.00 0.84 H new ATOM 0 HB3 LYS A 144 25.867 2.918 -1.584 1.00 0.84 H new ATOM 0 HG2 LYS A 144 24.288 1.117 -0.771 1.00 0.83 H new ATOM 0 HG3 LYS A 144 23.001 1.917 -1.653 1.00 0.83 H new ATOM 0 HD2 LYS A 144 23.740 0.285 -3.167 1.00 1.10 H new ATOM 0 HD3 LYS A 144 24.552 1.734 -3.727 1.00 1.10 H new ATOM 0 HE2 LYS A 144 26.567 1.059 -2.359 1.00 1.57 H new ATOM 0 HE3 LYS A 144 25.750 -0.443 -1.974 1.00 1.57 H new ATOM 0 HZ1 LYS A 144 27.248 -0.712 -3.835 1.00 2.23 H new ATOM 0 HZ2 LYS A 144 25.646 -0.960 -4.340 1.00 2.23 H new ATOM 0 HZ3 LYS A 144 26.438 0.495 -4.713 1.00 2.23 H new ATOM 2077 N GLN A 145 23.738 6.037 -0.458 1.00 0.70 N ATOM 2078 CA GLN A 145 23.859 7.496 -0.472 1.00 0.74 C ATOM 2079 C GLN A 145 24.337 7.972 0.885 1.00 0.75 C ATOM 2080 O GLN A 145 25.075 8.952 1.007 1.00 0.84 O ATOM 2081 CB GLN A 145 22.524 8.170 -0.779 1.00 0.71 C ATOM 2082 CG GLN A 145 21.789 7.563 -1.950 1.00 0.72 C ATOM 2083 CD GLN A 145 22.423 7.847 -3.295 1.00 0.94 C ATOM 2084 OE1 GLN A 145 23.641 7.991 -3.417 1.00 1.36 O ATOM 2085 NE2 GLN A 145 21.590 7.935 -4.316 1.00 1.27 N ATOM 0 H GLN A 145 22.795 5.690 -0.634 1.00 0.70 H new ATOM 0 HA GLN A 145 24.571 7.763 -1.253 1.00 0.74 H new ATOM 0 HB2 GLN A 145 21.888 8.115 0.105 1.00 0.71 H new ATOM 0 HB3 GLN A 145 22.699 9.227 -0.980 1.00 0.71 H new ATOM 0 HG2 GLN A 145 21.732 6.484 -1.809 1.00 0.72 H new ATOM 0 HG3 GLN A 145 20.766 7.939 -1.957 1.00 0.72 H new ATOM 0 HE21 GLN A 145 20.589 7.809 -4.169 1.00 1.27 H new ATOM 0 HE22 GLN A 145 21.948 8.129 -5.251 1.00 1.27 H new ATOM 2094 N LYS A 146 23.892 7.252 1.905 1.00 0.67 N ATOM 2095 CA LYS A 146 24.226 7.552 3.285 1.00 0.70 C ATOM 2096 C LYS A 146 25.672 7.183 3.613 1.00 0.84 C ATOM 2097 O LYS A 146 26.239 7.673 4.591 1.00 0.94 O ATOM 2098 CB LYS A 146 23.289 6.788 4.219 1.00 0.58 C ATOM 2099 CG LYS A 146 21.840 7.241 4.156 1.00 0.58 C ATOM 2100 CD LYS A 146 20.955 6.375 5.039 1.00 0.64 C ATOM 2101 CE LYS A 146 21.416 6.404 6.488 1.00 1.40 C ATOM 2102 NZ LYS A 146 21.122 7.705 7.146 1.00 1.73 N ATOM 0 H LYS A 146 23.286 6.439 1.795 1.00 0.67 H new ATOM 0 HA LYS A 146 24.109 8.626 3.427 1.00 0.70 H new ATOM 0 HB2 LYS A 146 23.337 5.727 3.975 1.00 0.58 H new ATOM 0 HB3 LYS A 146 23.647 6.896 5.243 1.00 0.58 H new ATOM 0 HG2 LYS A 146 21.767 8.282 4.473 1.00 0.58 H new ATOM 0 HG3 LYS A 146 21.486 7.196 3.126 1.00 0.58 H new ATOM 0 HD2 LYS A 146 19.924 6.724 4.977 1.00 0.64 H new ATOM 0 HD3 LYS A 146 20.967 5.348 4.673 1.00 0.64 H new ATOM 0 HE2 LYS A 146 20.926 5.601 7.039 1.00 1.40 H new ATOM 0 HE3 LYS A 146 22.488 6.212 6.530 1.00 1.40 H new ATOM 0 HZ1 LYS A 146 21.454 7.678 8.131 1.00 1.73 H new ATOM 0 HZ2 LYS A 146 21.610 8.470 6.637 1.00 1.73 H new ATOM 0 HZ3 LYS A 146 20.097 7.878 7.130 1.00 1.73 H new ATOM 2116 N ALA A 147 26.257 6.312 2.803 1.00 1.04 N ATOM 2117 CA ALA A 147 27.606 5.831 3.053 1.00 1.25 C ATOM 2118 C ALA A 147 28.622 6.575 2.191 1.00 1.72 C ATOM 2119 O ALA A 147 29.148 5.980 1.228 1.00 2.32 O ATOM 2120 CB ALA A 147 27.684 4.331 2.800 1.00 1.87 C ATOM 2121 OXT ALA A 147 28.890 7.762 2.484 1.00 2.18 O ATOM 0 H ALA A 147 25.818 5.925 1.968 1.00 1.04 H new ATOM 0 HA ALA A 147 27.850 6.024 4.098 1.00 1.25 H new ATOM 0 HB1 ALA A 147 28.699 3.982 2.990 1.00 1.87 H new ATOM 0 HB2 ALA A 147 26.992 3.814 3.464 1.00 1.87 H new ATOM 0 HB3 ALA A 147 27.417 4.122 1.764 1.00 1.87 H new TER 2127 ALA A 147 HETATM 2128 C ACE B 0 -3.279 0.524 -15.502 1.00 5.84 C HETATM 2129 O ACE B 0 -2.738 1.486 -14.954 1.00 5.72 O HETATM 2130 CH3 ACE B 0 -4.632 0.679 -16.151 1.00 6.73 C HETATM 0 H1 ACE B 0 -4.557 0.437 -17.211 1.00 6.73 H new HETATM 0 H2 ACE B 0 -5.343 0.004 -15.675 1.00 6.73 H new HETATM 0 H3 ACE B 0 -4.975 1.707 -16.037 1.00 6.73 H new ATOM 2134 N MET B 1 -2.725 -0.694 -15.591 1.00 5.58 N ATOM 2135 CA MET B 1 -1.436 -1.060 -14.980 1.00 5.12 C ATOM 2136 C MET B 1 -1.246 -0.459 -13.589 1.00 4.50 C ATOM 2137 O MET B 1 -0.632 0.600 -13.425 1.00 4.70 O ATOM 2138 CB MET B 1 -0.227 -0.744 -15.887 1.00 5.46 C ATOM 2139 CG MET B 1 -0.154 0.676 -16.431 1.00 6.11 C ATOM 2140 SD MET B 1 -1.118 0.898 -17.940 1.00 6.75 S ATOM 2141 CE MET B 1 -0.795 2.627 -18.287 1.00 6.84 C ATOM 0 H MET B 1 -3.164 -1.464 -16.096 1.00 5.58 H new ATOM 0 HA MET B 1 -1.477 -2.143 -14.863 1.00 5.12 H new ATOM 0 HB2 MET B 1 0.685 -0.944 -15.325 1.00 5.46 H new ATOM 0 HB3 MET B 1 -0.240 -1.435 -16.730 1.00 5.46 H new ATOM 0 HG2 MET B 1 -0.513 1.370 -15.671 1.00 6.11 H new ATOM 0 HG3 MET B 1 0.887 0.931 -16.630 1.00 6.11 H new ATOM 0 HE1 MET B 1 -1.323 2.921 -19.194 1.00 6.84 H new ATOM 0 HE2 MET B 1 -1.141 3.236 -17.452 1.00 6.84 H new ATOM 0 HE3 MET B 1 0.276 2.776 -18.426 1.00 6.84 H new ATOM 2151 N GLU B 2 -1.778 -1.168 -12.595 1.00 4.17 N ATOM 2152 CA GLU B 2 -1.665 -0.779 -11.190 1.00 3.92 C ATOM 2153 C GLU B 2 -2.325 0.575 -10.933 1.00 3.09 C ATOM 2154 O GLU B 2 -1.682 1.623 -11.020 1.00 3.38 O ATOM 2155 CB GLU B 2 -0.199 -0.754 -10.730 1.00 4.79 C ATOM 2156 CG GLU B 2 0.454 -2.131 -10.617 1.00 5.50 C ATOM 2157 CD GLU B 2 0.561 -2.865 -11.943 1.00 6.27 C ATOM 2158 OE1 GLU B 2 1.341 -2.417 -12.816 1.00 6.64 O ATOM 2159 OE2 GLU B 2 -0.138 -3.886 -12.122 1.00 6.76 O ATOM 0 H GLU B 2 -2.301 -2.031 -12.742 1.00 4.17 H new ATOM 0 HA GLU B 2 -2.192 -1.533 -10.605 1.00 3.92 H new ATOM 0 HB2 GLU B 2 0.378 -0.149 -11.430 1.00 4.79 H new ATOM 0 HB3 GLU B 2 -0.144 -0.259 -9.760 1.00 4.79 H new ATOM 0 HG2 GLU B 2 1.452 -2.017 -10.193 1.00 5.50 H new ATOM 0 HG3 GLU B 2 -0.121 -2.740 -9.920 1.00 5.50 H new ATOM 2166 N GLU B 3 -3.615 0.536 -10.626 1.00 2.63 N ATOM 2167 CA GLU B 3 -4.384 1.741 -10.342 1.00 2.33 C ATOM 2168 C GLU B 3 -3.955 2.340 -9.007 1.00 1.99 C ATOM 2169 O GLU B 3 -3.159 3.282 -8.959 1.00 2.69 O ATOM 2170 CB GLU B 3 -5.880 1.417 -10.312 1.00 2.76 C ATOM 2171 CG GLU B 3 -6.438 0.949 -11.649 1.00 3.28 C ATOM 2172 CD GLU B 3 -6.593 2.080 -12.644 1.00 3.76 C ATOM 2173 OE1 GLU B 3 -5.639 2.359 -13.396 1.00 4.07 O ATOM 2174 OE2 GLU B 3 -7.677 2.696 -12.680 1.00 4.29 O ATOM 0 H GLU B 3 -4.156 -0.327 -10.567 1.00 2.63 H new ATOM 0 HA GLU B 3 -4.194 2.469 -11.131 1.00 2.33 H new ATOM 0 HB2 GLU B 3 -6.059 0.644 -9.564 1.00 2.76 H new ATOM 0 HB3 GLU B 3 -6.427 2.304 -9.992 1.00 2.76 H new ATOM 0 HG2 GLU B 3 -5.778 0.189 -12.068 1.00 3.28 H new ATOM 0 HG3 GLU B 3 -7.407 0.476 -11.489 1.00 3.28 H new ATOM 2181 N VAL B 4 -4.478 1.780 -7.928 1.00 1.33 N ATOM 2182 CA VAL B 4 -4.102 2.195 -6.584 1.00 1.08 C ATOM 2183 C VAL B 4 -3.444 1.026 -5.863 1.00 0.96 C ATOM 2184 O VAL B 4 -2.610 1.205 -4.975 1.00 1.58 O ATOM 2185 CB VAL B 4 -5.330 2.664 -5.774 1.00 1.16 C ATOM 2186 CG1 VAL B 4 -4.907 3.251 -4.439 1.00 1.73 C ATOM 2187 CG2 VAL B 4 -6.144 3.670 -6.567 1.00 1.88 C ATOM 0 H VAL B 4 -5.170 1.031 -7.957 1.00 1.33 H new ATOM 0 HA VAL B 4 -3.408 3.031 -6.668 1.00 1.08 H new ATOM 0 HB VAL B 4 -5.957 1.794 -5.578 1.00 1.16 H new ATOM 0 HG11 VAL B 4 -5.790 3.574 -3.887 1.00 1.73 H new ATOM 0 HG12 VAL B 4 -4.375 2.495 -3.862 1.00 1.73 H new ATOM 0 HG13 VAL B 4 -4.252 4.106 -4.608 1.00 1.73 H new ATOM 0 HG21 VAL B 4 -7.004 3.987 -5.978 1.00 1.88 H new ATOM 0 HG22 VAL B 4 -5.525 4.536 -6.800 1.00 1.88 H new ATOM 0 HG23 VAL B 4 -6.488 3.210 -7.493 1.00 1.88 H new ATOM 2197 N ASP B 5 -3.837 -0.169 -6.279 1.00 0.80 N ATOM 2198 CA ASP B 5 -3.325 -1.409 -5.717 1.00 0.80 C ATOM 2199 C ASP B 5 -1.826 -1.500 -5.948 1.00 1.61 C ATOM 2200 O ASP B 5 -1.062 -1.457 -4.964 1.00 2.34 O ATOM 2201 CB ASP B 5 -4.030 -2.605 -6.367 1.00 1.41 C ATOM 2202 CG ASP B 5 -5.522 -2.382 -6.529 1.00 2.34 C ATOM 2203 OD1 ASP B 5 -5.915 -1.654 -7.472 1.00 3.06 O ATOM 2204 OD2 ASP B 5 -6.307 -2.925 -5.731 1.00 2.81 O ATOM 2205 OXT ASP B 5 -1.409 -1.559 -7.124 1.00 2.28 O ATOM 0 H ASP B 5 -4.524 -0.306 -7.020 1.00 0.80 H new ATOM 0 HA ASP B 5 -3.520 -1.423 -4.645 1.00 0.80 H new ATOM 0 HB2 ASP B 5 -3.586 -2.797 -7.344 1.00 1.41 H new ATOM 0 HB3 ASP B 5 -3.863 -3.495 -5.760 1.00 1.41 H new TER 2210 ASP B 5