USER MOD reduce.3.24.130724 H: found=0, std=0, add=1236, rem=0, adj=54 USER MOD reduce.3.24.130724 removed 1236 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 115 SER OG : rot -87:sc= 0.0768 USER MOD Set 1.2: A 116 ASN : amide:sc= 0.0766 X(o=0.15,f=0) USER MOD Set 2.1: A 12 TYR OH : rot 5:sc= 0.456 USER MOD Set 2.2: A 53 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 20 ASN :FLIP amide:sc= 0.75 F(o=-2!,f=1.8) USER MOD Set 3.2: A 22 GLN : amide:sc= 1.01 K(o=1.8,f=-3.2) USER MOD Set 4.1: A 17 SER OG : rot -76:sc= 0.33 USER MOD Set 4.2: A 23 SER OG : rot 180:sc= 0.31 USER MOD Single : A 0 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.103 USER MOD Single : A 7 SER OG : rot 180:sc= -0.596 USER MOD Single : A 10 THR OG1 : rot 180:sc= -0.0798 USER MOD Single : A 15 SER OG : rot 105:sc= 0.0192 USER MOD Single : A 18 THR OG1 : rot 165:sc= -1.42 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot -170:sc= -0.127 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot 126:sc= 0.796 USER MOD Single : A 36 TYR OH : rot 163:sc= 0.0501 USER MOD Single : A 41 LYS NZ :NH3+ -167:sc= -0.0188 (180deg=-0.227) USER MOD Single : A 42 LYS NZ :NH3+ 161:sc= -0.0717 (180deg=-0.447) USER MOD Single : A 45 LYS NZ :NH3+ -108:sc= -0.534 (180deg=-1.82) USER MOD Single : A 46 LYS NZ :NH3+ 175:sc= -0.843 (180deg=-1.06) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= -0.486 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc=-0.000643 USER MOD Single : A 57 GLN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 58 HIS : no HD1:sc= -0.126 K(o=-0.13,f=-2.2!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -0.119 X(o=-0.12,f=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 161:sc= -0.078 (180deg=-0.765) USER MOD Single : A 71 MET CE :methyl 144:sc= -0.0828 (180deg=-1.34) USER MOD Single : A 73 MET CE :methyl -113:sc= -0.437 (180deg=-1.62) USER MOD Single : A 75 THR OG1 : rot 21:sc= -1.07 USER MOD Single : A 77 SER OG : rot 63:sc= 0.549 USER MOD Single : A 79 THR OG1 : rot -42:sc= -2.1! USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 HIS : no HE2:sc= -0.0102 X(o=-0.01,f=-0.38) USER MOD Single : A 87 ASN : amide:sc= -0.34 K(o=-0.34,f=-3.5!) USER MOD Single : A 88 ASN : amide:sc= -0.308 K(o=-0.31,f=-1.1) USER MOD Single : A 89 LYS NZ :NH3+ -145:sc= -0.112 (180deg=-0.58) USER MOD Single : A 91 HIS : no HD1:sc= 0 X(o=0,f=-0.0058) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 96 HIS : no HD1:sc= -0.182 X(o=-0.18,f=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 CYS SG : rot 180:sc= -0.0302 USER MOD Single : A 100 LYS NZ :NH3+ -162:sc= -0.0651 (180deg=-0.375) USER MOD Single : A 105 GLN : amide:sc= 0.103 X(o=0.1,f=0) USER MOD Single : A 111 HIS : no HD1:sc= -0.705 K(o=-0.71,f=-1.9) USER MOD Single : A 112 ASN : amide:sc= -0.391 K(o=-0.39,f=-3.7!) USER MOD Single : A 113 MET CE :methyl -159:sc= -0.112 (180deg=-1.15) USER MOD Single : A 114 HIS : no HD1:sc= -0.427 X(o=-0.43,f=0) USER MOD Single : A 117 CYS SG : rot -137:sc= 0.0333 USER MOD Single : A 119 SER OG : rot -133:sc= 0.37 USER MOD Single : A 122 CYS SG : rot 72:sc= -0.311 USER MOD Single : A 123 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0266) USER MOD Single : A 124 THR OG1 : rot 74:sc= 0.777 USER MOD Single : A 133 LYS NZ :NH3+ 144:sc= -0.0268 (180deg=-0.26) USER MOD Single : A 135 ASN : amide:sc= -0.908 X(o=-0.91,f=-0.91) USER MOD Single : A 136 HIS : no HD1:sc= -0.108 X(o=-0.11,f=-0.026) USER MOD Single : A 141 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 144 SER OG : rot 180:sc= 0 USER MOD Single : A 145 SER OG : rot -36:sc= 0.869 USER MOD Single : A 147 ASN :FLIP amide:sc= -0.013 F(o=-1.3,f=-0.013) USER MOD Single : A 149 CYS SG : rot 180:sc= 0 USER MOD Single : A 150 THR OG1 : rot 96:sc= -0.497 USER MOD Single : A 152 ASN : amide:sc= -0.408 K(o=-0.41,f=-4.7!) USER MOD Single : A 156 LYS NZ :NH3+ -115:sc= -3.16 (180deg=-4.05!) USER MOD Single : A 158 SER OG : rot 180:sc= 0 USER MOD Single : A 160 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 0 21.343 6.966 6.400 1.00 7.74 N ATOM 2 CA GLY A 0 20.928 8.268 5.809 1.00 7.29 C ATOM 3 C GLY A 0 21.944 8.807 4.823 1.00 6.59 C ATOM 4 O GLY A 0 22.721 9.706 5.150 1.00 6.87 O ATOM 0 H1 GLY A 0 20.615 6.640 7.067 1.00 7.74 H new ATOM 0 H2 GLY A 0 21.459 6.262 5.643 1.00 7.74 H new ATOM 0 H3 GLY A 0 22.245 7.085 6.903 1.00 7.74 H new ATOM 0 HA2 GLY A 0 19.968 8.146 5.307 1.00 7.29 H new ATOM 0 HA3 GLY A 0 20.780 8.995 6.607 1.00 7.29 H new ATOM 10 N SER A 1 21.940 8.259 3.611 1.00 5.98 N ATOM 11 CA SER A 1 22.867 8.693 2.573 1.00 5.55 C ATOM 12 C SER A 1 22.320 8.381 1.184 1.00 4.98 C ATOM 13 O SER A 1 22.685 9.030 0.204 1.00 4.98 O ATOM 14 CB SER A 1 24.228 8.017 2.761 1.00 5.73 C ATOM 15 OG SER A 1 24.113 6.607 2.677 1.00 6.24 O ATOM 0 H SER A 1 21.305 7.514 3.325 1.00 5.98 H new ATOM 0 HA SER A 1 22.988 9.773 2.660 1.00 5.55 H new ATOM 0 HB2 SER A 1 24.923 8.374 2.001 1.00 5.73 H new ATOM 0 HB3 SER A 1 24.644 8.294 3.729 1.00 5.73 H new ATOM 0 HG SER A 1 24.996 6.199 2.799 1.00 6.24 H new ATOM 21 N SER A 2 21.443 7.383 1.108 1.00 4.86 N ATOM 22 CA SER A 2 20.848 6.986 -0.163 1.00 4.65 C ATOM 23 C SER A 2 19.372 6.639 0.009 1.00 3.55 C ATOM 24 O SER A 2 18.869 5.696 -0.605 1.00 3.84 O ATOM 25 CB SER A 2 21.604 5.790 -0.749 1.00 5.55 C ATOM 26 OG SER A 2 21.569 4.683 0.136 1.00 5.99 O ATOM 0 H SER A 2 21.130 6.836 1.910 1.00 4.86 H new ATOM 0 HA SER A 2 20.923 7.828 -0.851 1.00 4.65 H new ATOM 0 HB2 SER A 2 21.163 5.510 -1.705 1.00 5.55 H new ATOM 0 HB3 SER A 2 22.639 6.070 -0.946 1.00 5.55 H new ATOM 0 HG SER A 2 22.057 3.931 -0.261 1.00 5.99 H new ATOM 32 N ILE A 3 18.682 7.405 0.848 1.00 2.69 N ATOM 33 CA ILE A 3 17.264 7.179 1.100 1.00 1.87 C ATOM 34 C ILE A 3 16.396 8.070 0.215 1.00 1.35 C ATOM 35 O ILE A 3 15.287 7.693 -0.162 1.00 1.91 O ATOM 36 CB ILE A 3 16.911 7.432 2.582 1.00 2.23 C ATOM 37 CG1 ILE A 3 15.426 7.156 2.836 1.00 2.35 C ATOM 38 CG2 ILE A 3 17.264 8.858 2.978 1.00 2.72 C ATOM 39 CD1 ILE A 3 15.028 5.712 2.613 1.00 2.23 C ATOM 0 H ILE A 3 19.082 8.188 1.365 1.00 2.69 H new ATOM 0 HA ILE A 3 17.061 6.135 0.861 1.00 1.87 H new ATOM 0 HB ILE A 3 17.497 6.749 3.197 1.00 2.23 H new ATOM 0 HG12 ILE A 3 15.184 7.436 3.861 1.00 2.35 H new ATOM 0 HG13 ILE A 3 14.830 7.793 2.182 1.00 2.35 H new ATOM 0 HG21 ILE A 3 17.008 9.019 4.025 1.00 2.72 H new ATOM 0 HG22 ILE A 3 18.332 9.021 2.836 1.00 2.72 H new ATOM 0 HG23 ILE A 3 16.704 9.557 2.357 1.00 2.72 H new ATOM 0 HD11 ILE A 3 13.963 5.593 2.812 1.00 2.23 H new ATOM 0 HD12 ILE A 3 15.238 5.432 1.581 1.00 2.23 H new ATOM 0 HD13 ILE A 3 15.597 5.070 3.286 1.00 2.23 H new ATOM 51 N THR A 4 16.909 9.252 -0.112 1.00 1.51 N ATOM 52 CA THR A 4 16.176 10.194 -0.950 1.00 1.85 C ATOM 53 C THR A 4 16.860 10.381 -2.300 1.00 1.58 C ATOM 54 O THR A 4 18.051 10.106 -2.447 1.00 1.84 O ATOM 55 CB THR A 4 16.033 11.566 -0.265 1.00 3.01 C ATOM 56 OG1 THR A 4 15.350 12.479 -1.133 1.00 3.60 O ATOM 57 CG2 THR A 4 17.397 12.131 0.105 1.00 3.68 C ATOM 0 H THR A 4 17.827 9.579 0.190 1.00 1.51 H new ATOM 0 HA THR A 4 15.184 9.769 -1.105 1.00 1.85 H new ATOM 0 HB THR A 4 15.453 11.433 0.648 1.00 3.01 H new ATOM 0 HG1 THR A 4 15.262 13.348 -0.689 1.00 3.60 H new ATOM 0 HG21 THR A 4 17.271 13.100 0.587 1.00 3.68 H new ATOM 0 HG22 THR A 4 17.900 11.448 0.789 1.00 3.68 H new ATOM 0 HG23 THR A 4 17.998 12.250 -0.796 1.00 3.68 H new ATOM 65 N GLY A 5 16.098 10.852 -3.283 1.00 1.36 N ATOM 66 CA GLY A 5 16.645 11.068 -4.609 1.00 1.29 C ATOM 67 C GLY A 5 16.376 9.906 -5.546 1.00 1.13 C ATOM 68 O GLY A 5 17.062 9.743 -6.554 1.00 1.34 O ATOM 0 H GLY A 5 15.111 11.088 -3.184 1.00 1.36 H new ATOM 0 HA2 GLY A 5 16.217 11.977 -5.031 1.00 1.29 H new ATOM 0 HA3 GLY A 5 17.721 11.227 -4.533 1.00 1.29 H new ATOM 72 N ILE A 6 15.375 9.098 -5.210 1.00 0.84 N ATOM 73 CA ILE A 6 15.017 7.947 -6.032 1.00 0.72 C ATOM 74 C ILE A 6 13.966 8.319 -7.071 1.00 0.71 C ATOM 75 O ILE A 6 12.992 9.008 -6.768 1.00 0.85 O ATOM 76 CB ILE A 6 14.493 6.782 -5.169 1.00 0.64 C ATOM 77 CG1 ILE A 6 13.325 7.246 -4.294 1.00 0.78 C ATOM 78 CG2 ILE A 6 15.618 6.220 -4.311 1.00 0.90 C ATOM 79 CD1 ILE A 6 12.661 6.126 -3.519 1.00 0.88 C ATOM 0 H ILE A 6 14.799 9.218 -4.377 1.00 0.84 H new ATOM 0 HA ILE A 6 15.925 7.626 -6.543 1.00 0.72 H new ATOM 0 HB ILE A 6 14.131 5.992 -5.828 1.00 0.64 H new ATOM 0 HG12 ILE A 6 13.685 7.998 -3.592 1.00 0.78 H new ATOM 0 HG13 ILE A 6 12.580 7.730 -4.925 1.00 0.78 H new ATOM 0 HG21 ILE A 6 15.237 5.398 -3.705 1.00 0.90 H new ATOM 0 HG22 ILE A 6 16.419 5.856 -4.954 1.00 0.90 H new ATOM 0 HG23 ILE A 6 16.004 7.003 -3.658 1.00 0.90 H new ATOM 0 HD11 ILE A 6 11.843 6.531 -2.923 1.00 0.88 H new ATOM 0 HD12 ILE A 6 12.269 5.384 -4.215 1.00 0.88 H new ATOM 0 HD13 ILE A 6 13.392 5.656 -2.861 1.00 0.88 H new ATOM 91 N SER A 7 14.172 7.859 -8.300 1.00 0.67 N ATOM 92 CA SER A 7 13.247 8.143 -9.390 1.00 0.69 C ATOM 93 C SER A 7 12.167 7.064 -9.490 1.00 0.58 C ATOM 94 O SER A 7 12.439 5.885 -9.260 1.00 0.54 O ATOM 95 CB SER A 7 14.010 8.246 -10.713 1.00 0.81 C ATOM 96 OG SER A 7 13.132 8.519 -11.791 1.00 1.60 O ATOM 0 H SER A 7 14.973 7.287 -8.566 1.00 0.67 H new ATOM 0 HA SER A 7 12.759 9.095 -9.182 1.00 0.69 H new ATOM 0 HB2 SER A 7 14.760 9.034 -10.643 1.00 0.81 H new ATOM 0 HB3 SER A 7 14.543 7.314 -10.902 1.00 0.81 H new ATOM 0 HG SER A 7 13.645 8.581 -12.623 1.00 1.60 H new ATOM 102 N PRO A 8 10.924 7.455 -9.836 1.00 0.57 N ATOM 103 CA PRO A 8 9.805 6.512 -9.964 1.00 0.48 C ATOM 104 C PRO A 8 9.957 5.589 -11.169 1.00 0.47 C ATOM 105 O PRO A 8 10.160 6.046 -12.294 1.00 0.58 O ATOM 106 CB PRO A 8 8.589 7.422 -10.139 1.00 0.49 C ATOM 107 CG PRO A 8 9.136 8.679 -10.718 1.00 0.69 C ATOM 108 CD PRO A 8 10.510 8.842 -10.127 1.00 0.67 C ATOM 0 HA PRO A 8 9.735 5.846 -9.104 1.00 0.48 H new ATOM 0 HB2 PRO A 8 7.849 6.971 -10.800 1.00 0.49 H new ATOM 0 HB3 PRO A 8 8.094 7.608 -9.186 1.00 0.49 H new ATOM 0 HG2 PRO A 8 9.183 8.620 -11.805 1.00 0.69 H new ATOM 0 HG3 PRO A 8 8.502 9.531 -10.472 1.00 0.69 H new ATOM 0 HD2 PRO A 8 11.193 9.327 -10.825 1.00 0.67 H new ATOM 0 HD3 PRO A 8 10.489 9.453 -9.225 1.00 0.67 H new ATOM 116 N ILE A 9 9.855 4.287 -10.921 1.00 0.41 N ATOM 117 CA ILE A 9 9.982 3.288 -11.977 1.00 0.46 C ATOM 118 C ILE A 9 8.814 3.364 -12.953 1.00 0.45 C ATOM 119 O ILE A 9 9.007 3.360 -14.169 1.00 0.53 O ATOM 120 CB ILE A 9 10.049 1.867 -11.396 1.00 0.48 C ATOM 121 CG1 ILE A 9 11.023 1.826 -10.220 1.00 0.51 C ATOM 122 CG2 ILE A 9 10.469 0.877 -12.474 1.00 0.65 C ATOM 123 CD1 ILE A 9 11.096 0.477 -9.546 1.00 1.53 C ATOM 0 H ILE A 9 9.684 3.898 -9.994 1.00 0.41 H new ATOM 0 HA ILE A 9 10.910 3.506 -12.506 1.00 0.46 H new ATOM 0 HB ILE A 9 9.059 1.585 -11.036 1.00 0.48 H new ATOM 0 HG12 ILE A 9 12.017 2.102 -10.572 1.00 0.51 H new ATOM 0 HG13 ILE A 9 10.726 2.575 -9.486 1.00 0.51 H new ATOM 0 HG21 ILE A 9 10.513 -0.126 -12.050 1.00 0.65 H new ATOM 0 HG22 ILE A 9 9.744 0.896 -13.288 1.00 0.65 H new ATOM 0 HG23 ILE A 9 11.452 1.152 -12.858 1.00 0.65 H new ATOM 0 HD11 ILE A 9 11.806 0.521 -8.720 1.00 1.53 H new ATOM 0 HD12 ILE A 9 10.111 0.208 -9.164 1.00 1.53 H new ATOM 0 HD13 ILE A 9 11.423 -0.273 -10.267 1.00 1.53 H new ATOM 135 N THR A 10 7.601 3.429 -12.411 1.00 0.41 N ATOM 136 CA THR A 10 6.398 3.503 -13.232 1.00 0.42 C ATOM 137 C THR A 10 5.190 3.908 -12.395 1.00 0.31 C ATOM 138 O THR A 10 5.172 3.714 -11.177 1.00 0.28 O ATOM 139 CB THR A 10 6.107 2.159 -13.926 1.00 0.52 C ATOM 140 OG1 THR A 10 4.892 2.251 -14.680 1.00 0.54 O ATOM 141 CG2 THR A 10 5.994 1.034 -12.908 1.00 0.53 C ATOM 0 H THR A 10 7.426 3.432 -11.406 1.00 0.41 H new ATOM 0 HA THR A 10 6.578 4.261 -13.994 1.00 0.42 H new ATOM 0 HB THR A 10 6.936 1.936 -14.597 1.00 0.52 H new ATOM 0 HG1 THR A 10 4.714 1.393 -15.120 1.00 0.54 H new ATOM 0 HG21 THR A 10 5.788 0.096 -13.424 1.00 0.53 H new ATOM 0 HG22 THR A 10 6.930 0.947 -12.356 1.00 0.53 H new ATOM 0 HG23 THR A 10 5.183 1.252 -12.214 1.00 0.53 H new ATOM 149 N GLU A 11 4.181 4.468 -13.055 1.00 0.34 N ATOM 150 CA GLU A 11 2.967 4.904 -12.375 1.00 0.27 C ATOM 151 C GLU A 11 1.725 4.470 -13.147 1.00 0.23 C ATOM 152 O GLU A 11 1.718 4.470 -14.378 1.00 0.32 O ATOM 153 CB GLU A 11 2.966 6.427 -12.214 1.00 0.35 C ATOM 154 CG GLU A 11 4.219 6.971 -11.549 1.00 1.07 C ATOM 155 CD GLU A 11 4.155 8.470 -11.326 1.00 1.05 C ATOM 156 OE1 GLU A 11 3.675 8.891 -10.254 1.00 0.76 O ATOM 157 OE2 GLU A 11 4.586 9.221 -12.225 1.00 1.46 O ATOM 0 H GLU A 11 4.181 4.631 -14.062 1.00 0.34 H new ATOM 0 HA GLU A 11 2.947 4.437 -11.390 1.00 0.27 H new ATOM 0 HB2 GLU A 11 2.857 6.887 -13.196 1.00 0.35 H new ATOM 0 HB3 GLU A 11 2.096 6.721 -11.626 1.00 0.35 H new ATOM 0 HG2 GLU A 11 4.365 6.471 -10.592 1.00 1.07 H new ATOM 0 HG3 GLU A 11 5.086 6.736 -12.167 1.00 1.07 H new ATOM 164 N TYR A 12 0.676 4.099 -12.419 1.00 0.33 N ATOM 165 CA TYR A 12 -0.569 3.665 -13.044 1.00 0.46 C ATOM 166 C TYR A 12 -1.727 3.710 -12.052 1.00 0.33 C ATOM 167 O TYR A 12 -1.518 3.732 -10.838 1.00 0.28 O ATOM 168 CB TYR A 12 -0.420 2.250 -13.609 1.00 0.67 C ATOM 169 CG TYR A 12 -0.068 1.211 -12.568 1.00 0.46 C ATOM 170 CD1 TYR A 12 1.236 1.066 -12.114 1.00 0.71 C ATOM 171 CD2 TYR A 12 -1.044 0.376 -12.037 1.00 0.62 C ATOM 172 CE1 TYR A 12 1.560 0.118 -11.160 1.00 1.26 C ATOM 173 CE2 TYR A 12 -0.729 -0.573 -11.084 1.00 1.16 C ATOM 174 CZ TYR A 12 0.582 -0.705 -10.659 1.00 1.50 C ATOM 175 OH TYR A 12 0.890 -1.642 -9.700 1.00 2.11 O ATOM 0 H TYR A 12 0.663 4.090 -11.399 1.00 0.33 H new ATOM 0 HA TYR A 12 -0.789 4.352 -13.861 1.00 0.46 H new ATOM 0 HB2 TYR A 12 -1.353 1.963 -14.095 1.00 0.67 H new ATOM 0 HB3 TYR A 12 0.352 2.256 -14.379 1.00 0.67 H new ATOM 0 HD1 TYR A 12 2.011 1.704 -12.512 1.00 0.71 H new ATOM 0 HD2 TYR A 12 -2.065 0.471 -12.375 1.00 0.62 H new ATOM 0 HE1 TYR A 12 2.578 0.026 -10.811 1.00 1.26 H new ATOM 0 HE2 TYR A 12 -1.500 -1.208 -10.673 1.00 1.16 H new ATOM 0 HH TYR A 12 1.828 -1.541 -9.434 1.00 2.11 H new ATOM 185 N LEU A 13 -2.948 3.728 -12.578 1.00 0.42 N ATOM 186 CA LEU A 13 -4.141 3.771 -11.742 1.00 0.35 C ATOM 187 C LEU A 13 -4.677 2.368 -11.484 1.00 0.29 C ATOM 188 O LEU A 13 -4.953 1.617 -12.421 1.00 0.35 O ATOM 189 CB LEU A 13 -5.224 4.629 -12.403 1.00 0.45 C ATOM 190 CG LEU A 13 -4.850 6.096 -12.620 1.00 0.59 C ATOM 191 CD1 LEU A 13 -5.927 6.808 -13.425 1.00 1.17 C ATOM 192 CD2 LEU A 13 -4.634 6.793 -11.286 1.00 0.93 C ATOM 0 H LEU A 13 -3.136 3.713 -13.580 1.00 0.42 H new ATOM 0 HA LEU A 13 -3.866 4.217 -10.786 1.00 0.35 H new ATOM 0 HB2 LEU A 13 -5.476 4.188 -13.368 1.00 0.45 H new ATOM 0 HB3 LEU A 13 -6.124 4.587 -11.789 1.00 0.45 H new ATOM 0 HG LEU A 13 -3.918 6.134 -13.184 1.00 0.59 H new ATOM 0 HD11 LEU A 13 -5.644 7.851 -13.569 1.00 1.17 H new ATOM 0 HD12 LEU A 13 -6.036 6.324 -14.395 1.00 1.17 H new ATOM 0 HD13 LEU A 13 -6.874 6.760 -12.888 1.00 1.17 H new ATOM 0 HD21 LEU A 13 -4.369 7.836 -11.459 1.00 0.93 H new ATOM 0 HD22 LEU A 13 -5.550 6.745 -10.698 1.00 0.93 H new ATOM 0 HD23 LEU A 13 -3.828 6.299 -10.744 1.00 0.93 H new ATOM 204 N ALA A 14 -4.821 2.022 -10.210 1.00 0.22 N ATOM 205 CA ALA A 14 -5.327 0.711 -9.827 1.00 0.20 C ATOM 206 C ALA A 14 -6.113 0.796 -8.525 1.00 0.20 C ATOM 207 O ALA A 14 -6.097 1.819 -7.847 1.00 0.32 O ATOM 208 CB ALA A 14 -4.179 -0.277 -9.690 1.00 0.30 C ATOM 0 H ALA A 14 -4.594 2.632 -9.425 1.00 0.22 H new ATOM 0 HA ALA A 14 -6.000 0.360 -10.609 1.00 0.20 H new ATOM 0 HB1 ALA A 14 -4.571 -1.253 -9.403 1.00 0.30 H new ATOM 0 HB2 ALA A 14 -3.656 -0.362 -10.643 1.00 0.30 H new ATOM 0 HB3 ALA A 14 -3.486 0.074 -8.926 1.00 0.30 H new ATOM 214 N SER A 15 -6.805 -0.286 -8.185 1.00 0.27 N ATOM 215 CA SER A 15 -7.595 -0.333 -6.961 1.00 0.32 C ATOM 216 C SER A 15 -7.296 -1.603 -6.172 1.00 0.30 C ATOM 217 O SER A 15 -7.174 -2.685 -6.743 1.00 0.29 O ATOM 218 CB SER A 15 -9.088 -0.256 -7.290 1.00 0.40 C ATOM 219 OG SER A 15 -9.879 -0.468 -6.133 1.00 1.30 O ATOM 0 H SER A 15 -6.835 -1.142 -8.740 1.00 0.27 H new ATOM 0 HA SER A 15 -7.324 0.525 -6.346 1.00 0.32 H new ATOM 0 HB2 SER A 15 -9.319 0.719 -7.718 1.00 0.40 H new ATOM 0 HB3 SER A 15 -9.336 -1.002 -8.045 1.00 0.40 H new ATOM 0 HG SER A 15 -10.244 0.388 -5.825 1.00 1.30 H new ATOM 225 N LEU A 16 -7.180 -1.461 -4.855 1.00 0.31 N ATOM 226 CA LEU A 16 -6.899 -2.597 -3.987 1.00 0.30 C ATOM 227 C LEU A 16 -8.159 -3.429 -3.777 1.00 0.29 C ATOM 228 O LEU A 16 -9.171 -2.921 -3.298 1.00 0.37 O ATOM 229 CB LEU A 16 -6.369 -2.124 -2.627 1.00 0.34 C ATOM 230 CG LEU A 16 -4.995 -1.438 -2.634 1.00 0.35 C ATOM 231 CD1 LEU A 16 -3.964 -2.279 -3.372 1.00 1.11 C ATOM 232 CD2 LEU A 16 -5.087 -0.049 -3.245 1.00 0.98 C ATOM 0 H LEU A 16 -7.276 -0.571 -4.367 1.00 0.31 H new ATOM 0 HA LEU A 16 -6.138 -3.209 -4.471 1.00 0.30 H new ATOM 0 HB2 LEU A 16 -7.095 -1.433 -2.199 1.00 0.34 H new ATOM 0 HB3 LEU A 16 -6.318 -2.985 -1.961 1.00 0.34 H new ATOM 0 HG LEU A 16 -4.669 -1.337 -1.599 1.00 0.35 H new ATOM 0 HD11 LEU A 16 -3.001 -1.768 -3.360 1.00 1.11 H new ATOM 0 HD12 LEU A 16 -3.866 -3.248 -2.882 1.00 1.11 H new ATOM 0 HD13 LEU A 16 -4.285 -2.425 -4.403 1.00 1.11 H new ATOM 0 HD21 LEU A 16 -4.102 0.417 -3.239 1.00 0.98 H new ATOM 0 HD22 LEU A 16 -5.446 -0.126 -4.271 1.00 0.98 H new ATOM 0 HD23 LEU A 16 -5.780 0.559 -2.663 1.00 0.98 H new ATOM 244 N SER A 17 -8.097 -4.704 -4.145 1.00 0.21 N ATOM 245 CA SER A 17 -9.242 -5.593 -3.985 1.00 0.21 C ATOM 246 C SER A 17 -8.906 -6.759 -3.062 1.00 0.19 C ATOM 247 O SER A 17 -7.910 -7.454 -3.258 1.00 0.22 O ATOM 248 CB SER A 17 -9.699 -6.119 -5.346 1.00 0.25 C ATOM 249 OG SER A 17 -10.116 -5.057 -6.188 1.00 0.98 O ATOM 0 H SER A 17 -7.272 -5.143 -4.554 1.00 0.21 H new ATOM 0 HA SER A 17 -10.052 -5.021 -3.533 1.00 0.21 H new ATOM 0 HB2 SER A 17 -8.884 -6.666 -5.821 1.00 0.25 H new ATOM 0 HB3 SER A 17 -10.519 -6.824 -5.211 1.00 0.25 H new ATOM 0 HG SER A 17 -11.004 -4.748 -5.910 1.00 0.98 H new ATOM 255 N THR A 18 -9.748 -6.972 -2.055 1.00 0.18 N ATOM 256 CA THR A 18 -9.544 -8.057 -1.104 1.00 0.19 C ATOM 257 C THR A 18 -9.774 -9.408 -1.772 1.00 0.21 C ATOM 258 O THR A 18 -10.440 -9.493 -2.804 1.00 0.31 O ATOM 259 CB THR A 18 -10.489 -7.926 0.106 1.00 0.18 C ATOM 260 OG1 THR A 18 -11.824 -8.267 -0.280 1.00 0.23 O ATOM 261 CG2 THR A 18 -10.465 -6.508 0.660 1.00 0.18 C ATOM 0 H THR A 18 -10.578 -6.407 -1.877 1.00 0.18 H new ATOM 0 HA THR A 18 -8.513 -7.993 -0.756 1.00 0.19 H new ATOM 0 HB THR A 18 -10.147 -8.610 0.883 1.00 0.18 H new ATOM 0 HG1 THR A 18 -12.368 -8.417 0.521 1.00 0.23 H new ATOM 0 HG21 THR A 18 -11.140 -6.439 1.513 1.00 0.18 H new ATOM 0 HG22 THR A 18 -9.452 -6.258 0.977 1.00 0.18 H new ATOM 0 HG23 THR A 18 -10.786 -5.810 -0.113 1.00 0.18 H new ATOM 269 N TYR A 19 -9.224 -10.463 -1.177 1.00 0.21 N ATOM 270 CA TYR A 19 -9.366 -11.812 -1.720 1.00 0.23 C ATOM 271 C TYR A 19 -10.827 -12.250 -1.729 1.00 0.24 C ATOM 272 O TYR A 19 -11.171 -13.281 -2.307 1.00 0.29 O ATOM 273 CB TYR A 19 -8.529 -12.801 -0.905 1.00 0.28 C ATOM 274 CG TYR A 19 -8.340 -14.141 -1.584 1.00 0.33 C ATOM 275 CD1 TYR A 19 -7.490 -14.272 -2.674 1.00 0.39 C ATOM 276 CD2 TYR A 19 -9.012 -15.270 -1.135 1.00 0.36 C ATOM 277 CE1 TYR A 19 -7.311 -15.493 -3.298 1.00 0.45 C ATOM 278 CE2 TYR A 19 -8.838 -16.496 -1.754 1.00 0.42 C ATOM 279 CZ TYR A 19 -7.988 -16.600 -2.836 1.00 0.45 C ATOM 280 OH TYR A 19 -7.813 -17.816 -3.453 1.00 0.52 O ATOM 0 H TYR A 19 -8.676 -10.410 -0.319 1.00 0.21 H new ATOM 0 HA TYR A 19 -9.006 -11.801 -2.749 1.00 0.23 H new ATOM 0 HB2 TYR A 19 -7.551 -12.361 -0.710 1.00 0.28 H new ATOM 0 HB3 TYR A 19 -9.007 -12.958 0.062 1.00 0.28 H new ATOM 0 HD1 TYR A 19 -6.960 -13.406 -3.041 1.00 0.39 H new ATOM 0 HD2 TYR A 19 -9.680 -15.191 -0.290 1.00 0.36 H new ATOM 0 HE1 TYR A 19 -6.644 -15.578 -4.143 1.00 0.45 H new ATOM 0 HE2 TYR A 19 -9.365 -17.367 -1.392 1.00 0.42 H new ATOM 0 HH TYR A 19 -8.361 -18.493 -3.004 1.00 0.52 H new ATOM 290 N ASN A 20 -11.684 -11.461 -1.087 1.00 0.22 N ATOM 291 CA ASN A 20 -13.107 -11.768 -1.027 1.00 0.27 C ATOM 292 C ASN A 20 -13.848 -11.112 -2.191 1.00 0.26 C ATOM 293 O ASN A 20 -15.050 -10.858 -2.114 1.00 0.30 O ATOM 294 CB ASN A 20 -13.696 -11.299 0.305 1.00 0.32 C ATOM 295 CG ASN A 20 -15.094 -11.837 0.548 1.00 1.21 C ATOM 296 OD1 ASN A 20 -15.378 -13.017 0.006 1.00 2.23 O flip ATOM 297 ND2 ASN A 20 -15.909 -11.201 1.216 1.00 1.58 N flip ATOM 0 H ASN A 20 -11.416 -10.605 -0.602 1.00 0.22 H new ATOM 0 HA ASN A 20 -13.229 -12.848 -1.104 1.00 0.27 H new ATOM 0 HB2 ASN A 20 -13.043 -11.615 1.118 1.00 0.32 H new ATOM 0 HB3 ASN A 20 -13.722 -10.209 0.323 1.00 0.32 H new ATOM 0 HD21 ASN A 20 -15.649 -10.299 1.614 1.00 1.58 H new ATOM 0 HD22 ASN A 20 -16.845 -11.576 1.372 1.00 1.58 H new ATOM 304 N ASP A 21 -13.111 -10.838 -3.266 1.00 0.26 N ATOM 305 CA ASP A 21 -13.674 -10.213 -4.461 1.00 0.30 C ATOM 306 C ASP A 21 -14.172 -8.799 -4.164 1.00 0.31 C ATOM 307 O ASP A 21 -14.806 -8.164 -5.007 1.00 0.54 O ATOM 308 CB ASP A 21 -14.813 -11.068 -5.028 1.00 0.36 C ATOM 309 CG ASP A 21 -15.302 -10.563 -6.372 1.00 1.14 C ATOM 310 OD1 ASP A 21 -14.638 -10.848 -7.390 1.00 1.01 O ATOM 311 OD2 ASP A 21 -16.352 -9.885 -6.405 1.00 2.07 O ATOM 0 H ASP A 21 -12.114 -11.041 -3.333 1.00 0.26 H new ATOM 0 HA ASP A 21 -12.881 -10.143 -5.206 1.00 0.30 H new ATOM 0 HB2 ASP A 21 -14.473 -12.098 -5.132 1.00 0.36 H new ATOM 0 HB3 ASP A 21 -15.643 -11.076 -4.322 1.00 0.36 H new ATOM 316 N GLN A 22 -13.876 -8.309 -2.965 1.00 0.22 N ATOM 317 CA GLN A 22 -14.294 -6.968 -2.565 1.00 0.21 C ATOM 318 C GLN A 22 -13.212 -5.946 -2.902 1.00 0.20 C ATOM 319 O GLN A 22 -12.083 -6.310 -3.224 1.00 0.29 O ATOM 320 CB GLN A 22 -14.601 -6.929 -1.067 1.00 0.22 C ATOM 321 CG GLN A 22 -15.786 -7.791 -0.662 1.00 0.30 C ATOM 322 CD GLN A 22 -16.081 -7.709 0.823 1.00 0.37 C ATOM 323 OE1 GLN A 22 -15.577 -8.507 1.615 1.00 1.13 O ATOM 324 NE2 GLN A 22 -16.899 -6.737 1.212 1.00 1.17 N ATOM 0 H GLN A 22 -13.350 -8.818 -2.254 1.00 0.22 H new ATOM 0 HA GLN A 22 -15.199 -6.714 -3.117 1.00 0.21 H new ATOM 0 HB2 GLN A 22 -13.720 -7.257 -0.516 1.00 0.22 H new ATOM 0 HB3 GLN A 22 -14.796 -5.898 -0.772 1.00 0.22 H new ATOM 0 HG2 GLN A 22 -16.667 -7.478 -1.222 1.00 0.30 H new ATOM 0 HG3 GLN A 22 -15.587 -8.828 -0.933 1.00 0.30 H new ATOM 0 HE21 GLN A 22 -17.295 -6.097 0.523 1.00 1.17 H new ATOM 0 HE22 GLN A 22 -17.131 -6.630 2.200 1.00 1.17 H new ATOM 333 N SER A 23 -13.568 -4.666 -2.828 1.00 0.29 N ATOM 334 CA SER A 23 -12.623 -3.592 -3.127 1.00 0.31 C ATOM 335 C SER A 23 -12.639 -2.531 -2.030 1.00 0.26 C ATOM 336 O SER A 23 -13.645 -2.347 -1.344 1.00 0.23 O ATOM 337 CB SER A 23 -12.957 -2.952 -4.476 1.00 0.37 C ATOM 338 OG SER A 23 -12.872 -3.902 -5.527 1.00 1.17 O ATOM 0 H SER A 23 -14.500 -4.347 -2.565 1.00 0.29 H new ATOM 0 HA SER A 23 -11.624 -4.024 -3.175 1.00 0.31 H new ATOM 0 HB2 SER A 23 -13.962 -2.530 -4.443 1.00 0.37 H new ATOM 0 HB3 SER A 23 -12.271 -2.127 -4.671 1.00 0.37 H new ATOM 0 HG SER A 23 -13.091 -3.469 -6.378 1.00 1.17 H new ATOM 344 N ILE A 24 -11.517 -1.833 -1.872 1.00 0.28 N ATOM 345 CA ILE A 24 -11.395 -0.794 -0.855 1.00 0.26 C ATOM 346 C ILE A 24 -11.896 0.546 -1.384 1.00 0.26 C ATOM 347 O ILE A 24 -11.278 1.145 -2.263 1.00 0.45 O ATOM 348 CB ILE A 24 -9.933 -0.627 -0.388 1.00 0.29 C ATOM 349 CG1 ILE A 24 -9.245 -1.991 -0.251 1.00 0.32 C ATOM 350 CG2 ILE A 24 -9.880 0.136 0.929 1.00 0.31 C ATOM 351 CD1 ILE A 24 -9.921 -2.931 0.723 1.00 0.31 C ATOM 0 H ILE A 24 -10.679 -1.969 -2.437 1.00 0.28 H new ATOM 0 HA ILE A 24 -12.006 -1.108 -0.008 1.00 0.26 H new ATOM 0 HB ILE A 24 -9.396 -0.052 -1.143 1.00 0.29 H new ATOM 0 HG12 ILE A 24 -9.207 -2.467 -1.231 1.00 0.32 H new ATOM 0 HG13 ILE A 24 -8.214 -1.835 0.067 1.00 0.32 H new ATOM 0 HG21 ILE A 24 -8.842 0.245 1.245 1.00 0.31 H new ATOM 0 HG22 ILE A 24 -10.325 1.122 0.796 1.00 0.31 H new ATOM 0 HG23 ILE A 24 -10.435 -0.413 1.690 1.00 0.31 H new ATOM 0 HD11 ILE A 24 -9.372 -3.872 0.761 1.00 0.31 H new ATOM 0 HD12 ILE A 24 -9.935 -2.479 1.715 1.00 0.31 H new ATOM 0 HD13 ILE A 24 -10.943 -3.120 0.396 1.00 0.31 H new ATOM 363 N THR A 25 -13.017 1.009 -0.841 1.00 0.32 N ATOM 364 CA THR A 25 -13.598 2.278 -1.261 1.00 0.35 C ATOM 365 C THR A 25 -13.073 3.430 -0.408 1.00 0.38 C ATOM 366 O THR A 25 -13.177 3.404 0.818 1.00 0.46 O ATOM 367 CB THR A 25 -15.136 2.247 -1.173 1.00 0.40 C ATOM 368 OG1 THR A 25 -15.651 1.184 -1.984 1.00 0.40 O ATOM 369 CG2 THR A 25 -15.733 3.572 -1.628 1.00 0.44 C ATOM 0 H THR A 25 -13.540 0.525 -0.111 1.00 0.32 H new ATOM 0 HA THR A 25 -13.304 2.434 -2.299 1.00 0.35 H new ATOM 0 HB THR A 25 -15.414 2.080 -0.133 1.00 0.40 H new ATOM 0 HG1 THR A 25 -16.625 1.266 -2.051 1.00 0.40 H new ATOM 0 HG21 THR A 25 -16.820 3.525 -1.557 1.00 0.44 H new ATOM 0 HG22 THR A 25 -15.362 4.376 -0.992 1.00 0.44 H new ATOM 0 HG23 THR A 25 -15.445 3.765 -2.661 1.00 0.44 H new ATOM 377 N PHE A 26 -12.510 4.437 -1.068 1.00 0.37 N ATOM 378 CA PHE A 26 -11.972 5.601 -0.372 1.00 0.40 C ATOM 379 C PHE A 26 -12.918 6.792 -0.496 1.00 0.48 C ATOM 380 O PHE A 26 -12.843 7.561 -1.455 1.00 0.52 O ATOM 381 CB PHE A 26 -10.595 5.967 -0.931 1.00 0.39 C ATOM 382 CG PHE A 26 -9.556 4.903 -0.719 1.00 0.36 C ATOM 383 CD1 PHE A 26 -9.463 3.826 -1.585 1.00 0.38 C ATOM 384 CD2 PHE A 26 -8.675 4.981 0.347 1.00 0.37 C ATOM 385 CE1 PHE A 26 -8.508 2.846 -1.392 1.00 0.40 C ATOM 386 CE2 PHE A 26 -7.717 4.004 0.545 1.00 0.38 C ATOM 387 CZ PHE A 26 -7.637 2.934 -0.321 1.00 0.39 C ATOM 0 H PHE A 26 -12.414 4.471 -2.083 1.00 0.37 H new ATOM 0 HA PHE A 26 -11.870 5.348 0.683 1.00 0.40 H new ATOM 0 HB2 PHE A 26 -10.687 6.165 -1.999 1.00 0.39 H new ATOM 0 HB3 PHE A 26 -10.257 6.892 -0.463 1.00 0.39 H new ATOM 0 HD1 PHE A 26 -10.144 3.751 -2.420 1.00 0.38 H new ATOM 0 HD2 PHE A 26 -8.737 5.814 1.031 1.00 0.37 H new ATOM 0 HE1 PHE A 26 -8.442 2.013 -2.076 1.00 0.40 H new ATOM 0 HE2 PHE A 26 -7.032 4.079 1.377 1.00 0.38 H new ATOM 0 HZ PHE A 26 -6.895 2.165 -0.163 1.00 0.39 H new ATOM 397 N ALA A 27 -13.809 6.934 0.478 1.00 0.53 N ATOM 398 CA ALA A 27 -14.772 8.029 0.483 1.00 0.62 C ATOM 399 C ALA A 27 -14.119 9.328 0.946 1.00 0.64 C ATOM 400 O ALA A 27 -13.811 9.493 2.126 1.00 0.65 O ATOM 401 CB ALA A 27 -15.957 7.685 1.371 1.00 0.65 C ATOM 0 H ALA A 27 -13.885 6.303 1.276 1.00 0.53 H new ATOM 0 HA ALA A 27 -15.128 8.174 -0.537 1.00 0.62 H new ATOM 0 HB1 ALA A 27 -16.668 8.511 1.365 1.00 0.65 H new ATOM 0 HB2 ALA A 27 -16.444 6.785 0.996 1.00 0.65 H new ATOM 0 HB3 ALA A 27 -15.610 7.512 2.390 1.00 0.65 H new ATOM 407 N LEU A 28 -13.913 10.246 0.006 1.00 0.79 N ATOM 408 CA LEU A 28 -13.295 11.531 0.315 1.00 0.88 C ATOM 409 C LEU A 28 -14.346 12.619 0.503 1.00 0.88 C ATOM 410 O LEU A 28 -15.046 12.994 -0.439 1.00 1.02 O ATOM 411 CB LEU A 28 -12.321 11.933 -0.796 1.00 1.22 C ATOM 412 CG LEU A 28 -11.035 11.110 -0.857 1.00 1.08 C ATOM 413 CD1 LEU A 28 -10.269 11.416 -2.133 1.00 1.52 C ATOM 414 CD2 LEU A 28 -10.167 11.386 0.365 1.00 1.17 C ATOM 0 H LEU A 28 -14.165 10.124 -0.975 1.00 0.79 H new ATOM 0 HA LEU A 28 -12.747 11.421 1.251 1.00 0.88 H new ATOM 0 HB2 LEU A 28 -12.833 11.851 -1.755 1.00 1.22 H new ATOM 0 HB3 LEU A 28 -12.057 12.982 -0.665 1.00 1.22 H new ATOM 0 HG LEU A 28 -11.301 10.053 -0.859 1.00 1.08 H new ATOM 0 HD11 LEU A 28 -9.356 10.822 -2.161 1.00 1.52 H new ATOM 0 HD12 LEU A 28 -10.888 11.171 -2.996 1.00 1.52 H new ATOM 0 HD13 LEU A 28 -10.013 12.475 -2.159 1.00 1.52 H new ATOM 0 HD21 LEU A 28 -9.255 10.792 0.305 1.00 1.17 H new ATOM 0 HD22 LEU A 28 -9.909 12.445 0.396 1.00 1.17 H new ATOM 0 HD23 LEU A 28 -10.715 11.119 1.269 1.00 1.17 H new ATOM 426 N GLU A 29 -14.449 13.125 1.728 1.00 0.83 N ATOM 427 CA GLU A 29 -15.406 14.175 2.049 1.00 0.96 C ATOM 428 C GLU A 29 -14.759 15.551 1.919 1.00 1.04 C ATOM 429 O GLU A 29 -13.633 15.670 1.431 1.00 1.03 O ATOM 430 CB GLU A 29 -15.951 13.987 3.466 1.00 1.00 C ATOM 431 CG GLU A 29 -16.743 12.704 3.652 1.00 1.07 C ATOM 432 CD GLU A 29 -17.924 12.601 2.705 1.00 1.79 C ATOM 433 OE1 GLU A 29 -18.966 13.229 2.987 1.00 2.32 O ATOM 434 OE2 GLU A 29 -17.805 11.892 1.684 1.00 2.42 O ATOM 0 H GLU A 29 -13.878 12.822 2.517 1.00 0.83 H new ATOM 0 HA GLU A 29 -16.232 14.109 1.341 1.00 0.96 H new ATOM 0 HB2 GLU A 29 -15.119 13.995 4.170 1.00 1.00 H new ATOM 0 HB3 GLU A 29 -16.588 14.836 3.716 1.00 1.00 H new ATOM 0 HG2 GLU A 29 -16.084 11.850 3.498 1.00 1.07 H new ATOM 0 HG3 GLU A 29 -17.101 12.649 4.680 1.00 1.07 H new ATOM 441 N ASP A 30 -15.472 16.586 2.349 1.00 1.19 N ATOM 442 CA ASP A 30 -14.954 17.949 2.278 1.00 1.30 C ATOM 443 C ASP A 30 -13.682 18.085 3.108 1.00 1.12 C ATOM 444 O ASP A 30 -12.771 18.831 2.748 1.00 1.19 O ATOM 445 CB ASP A 30 -16.007 18.945 2.770 1.00 1.51 C ATOM 446 CG ASP A 30 -17.273 18.906 1.935 1.00 1.91 C ATOM 447 OD1 ASP A 30 -17.294 19.545 0.861 1.00 2.03 O ATOM 448 OD2 ASP A 30 -18.241 18.239 2.354 1.00 2.56 O ATOM 0 H ASP A 30 -16.407 16.509 2.749 1.00 1.19 H new ATOM 0 HA ASP A 30 -14.717 18.170 1.237 1.00 1.30 H new ATOM 0 HB2 ASP A 30 -16.253 18.726 3.809 1.00 1.51 H new ATOM 0 HB3 ASP A 30 -15.590 19.952 2.747 1.00 1.51 H new ATOM 453 N GLU A 31 -13.627 17.356 4.219 1.00 0.94 N ATOM 454 CA GLU A 31 -12.467 17.392 5.101 1.00 0.83 C ATOM 455 C GLU A 31 -12.350 16.096 5.897 1.00 0.75 C ATOM 456 O GLU A 31 -11.369 15.879 6.609 1.00 0.74 O ATOM 457 CB GLU A 31 -12.561 18.585 6.054 1.00 0.84 C ATOM 458 CG GLU A 31 -13.828 18.592 6.894 1.00 0.91 C ATOM 459 CD GLU A 31 -13.900 19.783 7.829 1.00 0.99 C ATOM 460 OE1 GLU A 31 -14.416 20.839 7.406 1.00 0.95 O ATOM 461 OE2 GLU A 31 -13.442 19.660 8.984 1.00 1.15 O ATOM 0 H GLU A 31 -14.373 16.733 4.529 1.00 0.94 H new ATOM 0 HA GLU A 31 -11.575 17.500 4.484 1.00 0.83 H new ATOM 0 HB2 GLU A 31 -11.695 18.580 6.716 1.00 0.84 H new ATOM 0 HB3 GLU A 31 -12.513 19.507 5.475 1.00 0.84 H new ATOM 0 HG2 GLU A 31 -14.696 18.599 6.235 1.00 0.91 H new ATOM 0 HG3 GLU A 31 -13.878 17.673 7.478 1.00 0.91 H new ATOM 468 N SER A 32 -13.358 15.238 5.770 1.00 0.75 N ATOM 469 CA SER A 32 -13.365 13.960 6.473 1.00 0.72 C ATOM 470 C SER A 32 -12.790 12.857 5.591 1.00 0.67 C ATOM 471 O SER A 32 -12.837 12.945 4.362 1.00 0.83 O ATOM 472 CB SER A 32 -14.787 13.598 6.909 1.00 0.84 C ATOM 473 OG SER A 32 -14.807 12.367 7.610 1.00 1.53 O ATOM 0 H SER A 32 -14.179 15.404 5.188 1.00 0.75 H new ATOM 0 HA SER A 32 -12.739 14.056 7.360 1.00 0.72 H new ATOM 0 HB2 SER A 32 -15.189 14.388 7.544 1.00 0.84 H new ATOM 0 HB3 SER A 32 -15.434 13.532 6.034 1.00 0.84 H new ATOM 0 HG SER A 32 -15.726 12.159 7.879 1.00 1.53 H new ATOM 479 N TYR A 33 -12.246 11.821 6.221 1.00 0.57 N ATOM 480 CA TYR A 33 -11.659 10.704 5.489 1.00 0.50 C ATOM 481 C TYR A 33 -12.250 9.376 5.953 1.00 0.46 C ATOM 482 O TYR A 33 -11.927 8.888 7.037 1.00 0.59 O ATOM 483 CB TYR A 33 -10.139 10.694 5.671 1.00 0.53 C ATOM 484 CG TYR A 33 -9.461 11.953 5.178 1.00 0.60 C ATOM 485 CD1 TYR A 33 -9.291 13.047 6.017 1.00 0.72 C ATOM 486 CD2 TYR A 33 -8.991 12.046 3.873 1.00 0.58 C ATOM 487 CE1 TYR A 33 -8.672 14.199 5.569 1.00 0.80 C ATOM 488 CE2 TYR A 33 -8.370 13.193 3.419 1.00 0.67 C ATOM 489 CZ TYR A 33 -8.214 14.269 4.273 1.00 0.76 C ATOM 490 OH TYR A 33 -7.597 15.413 3.822 1.00 0.86 O ATOM 0 H TYR A 33 -12.199 11.731 7.236 1.00 0.57 H new ATOM 0 HA TYR A 33 -11.891 10.831 4.432 1.00 0.50 H new ATOM 0 HB2 TYR A 33 -9.909 10.558 6.728 1.00 0.53 H new ATOM 0 HB3 TYR A 33 -9.724 9.837 5.141 1.00 0.53 H new ATOM 0 HD1 TYR A 33 -9.648 12.997 7.035 1.00 0.72 H new ATOM 0 HD2 TYR A 33 -9.113 11.208 3.203 1.00 0.58 H new ATOM 0 HE1 TYR A 33 -8.548 15.041 6.234 1.00 0.80 H new ATOM 0 HE2 TYR A 33 -8.008 13.249 2.403 1.00 0.67 H new ATOM 0 HH TYR A 33 -6.723 15.185 3.443 1.00 0.86 H new ATOM 500 N GLU A 34 -13.113 8.796 5.125 1.00 0.46 N ATOM 501 CA GLU A 34 -13.751 7.524 5.449 1.00 0.42 C ATOM 502 C GLU A 34 -13.367 6.449 4.437 1.00 0.39 C ATOM 503 O GLU A 34 -13.590 6.605 3.236 1.00 0.46 O ATOM 504 CB GLU A 34 -15.272 7.685 5.479 1.00 0.50 C ATOM 505 CG GLU A 34 -15.757 8.723 6.478 1.00 0.55 C ATOM 506 CD GLU A 34 -15.405 8.368 7.910 1.00 1.50 C ATOM 507 OE1 GLU A 34 -16.175 7.616 8.541 1.00 1.48 O ATOM 508 OE2 GLU A 34 -14.358 8.844 8.399 1.00 2.46 O ATOM 0 H GLU A 34 -13.387 9.187 4.224 1.00 0.46 H new ATOM 0 HA GLU A 34 -13.403 7.214 6.435 1.00 0.42 H new ATOM 0 HB2 GLU A 34 -15.619 7.962 4.483 1.00 0.50 H new ATOM 0 HB3 GLU A 34 -15.726 6.723 5.719 1.00 0.50 H new ATOM 0 HG2 GLU A 34 -15.321 9.691 6.230 1.00 0.55 H new ATOM 0 HG3 GLU A 34 -16.838 8.829 6.390 1.00 0.55 H new ATOM 515 N ILE A 35 -12.787 5.359 4.929 1.00 0.34 N ATOM 516 CA ILE A 35 -12.375 4.257 4.068 1.00 0.32 C ATOM 517 C ILE A 35 -13.005 2.945 4.524 1.00 0.26 C ATOM 518 O ILE A 35 -12.785 2.501 5.650 1.00 0.32 O ATOM 519 CB ILE A 35 -10.840 4.099 4.050 1.00 0.39 C ATOM 520 CG1 ILE A 35 -10.171 5.426 3.691 1.00 0.46 C ATOM 521 CG2 ILE A 35 -10.434 3.010 3.066 1.00 0.44 C ATOM 522 CD1 ILE A 35 -8.668 5.414 3.863 1.00 0.54 C ATOM 0 H ILE A 35 -12.592 5.216 5.920 1.00 0.34 H new ATOM 0 HA ILE A 35 -12.718 4.494 3.061 1.00 0.32 H new ATOM 0 HB ILE A 35 -10.507 3.807 5.046 1.00 0.39 H new ATOM 0 HG12 ILE A 35 -10.408 5.674 2.656 1.00 0.46 H new ATOM 0 HG13 ILE A 35 -10.593 6.216 4.313 1.00 0.46 H new ATOM 0 HG21 ILE A 35 -9.349 2.909 3.063 1.00 0.44 H new ATOM 0 HG22 ILE A 35 -10.886 2.064 3.364 1.00 0.44 H new ATOM 0 HG23 ILE A 35 -10.776 3.277 2.066 1.00 0.44 H new ATOM 0 HD11 ILE A 35 -8.263 6.388 3.590 1.00 0.54 H new ATOM 0 HD12 ILE A 35 -8.422 5.197 4.903 1.00 0.54 H new ATOM 0 HD13 ILE A 35 -8.234 4.648 3.221 1.00 0.54 H new ATOM 534 N TYR A 36 -13.791 2.333 3.644 1.00 0.21 N ATOM 535 CA TYR A 36 -14.452 1.071 3.959 1.00 0.21 C ATOM 536 C TYR A 36 -14.471 0.151 2.743 1.00 0.23 C ATOM 537 O TYR A 36 -14.456 0.614 1.602 1.00 0.48 O ATOM 538 CB TYR A 36 -15.882 1.323 4.442 1.00 0.29 C ATOM 539 CG TYR A 36 -15.957 2.148 5.706 1.00 1.07 C ATOM 540 CD1 TYR A 36 -15.673 1.585 6.943 1.00 2.26 C ATOM 541 CD2 TYR A 36 -16.314 3.490 5.661 1.00 0.96 C ATOM 542 CE1 TYR A 36 -15.741 2.336 8.100 1.00 3.30 C ATOM 543 CE2 TYR A 36 -16.385 4.248 6.814 1.00 1.97 C ATOM 544 CZ TYR A 36 -16.094 3.669 8.029 1.00 3.14 C ATOM 545 OH TYR A 36 -16.168 4.419 9.181 1.00 4.17 O ATOM 0 H TYR A 36 -13.986 2.690 2.708 1.00 0.21 H new ATOM 0 HA TYR A 36 -13.888 0.585 4.755 1.00 0.21 H new ATOM 0 HB2 TYR A 36 -16.439 1.830 3.654 1.00 0.29 H new ATOM 0 HB3 TYR A 36 -16.373 0.365 4.614 1.00 0.29 H new ATOM 0 HD1 TYR A 36 -15.394 0.543 7.001 1.00 2.26 H new ATOM 0 HD2 TYR A 36 -16.540 3.948 4.709 1.00 0.96 H new ATOM 0 HE1 TYR A 36 -15.519 1.883 9.055 1.00 3.30 H new ATOM 0 HE2 TYR A 36 -16.667 5.289 6.763 1.00 1.97 H new ATOM 0 HH TYR A 36 -16.152 5.372 8.953 1.00 4.17 H new ATOM 555 N VAL A 37 -14.500 -1.153 2.997 1.00 0.19 N ATOM 556 CA VAL A 37 -14.520 -2.141 1.925 1.00 0.17 C ATOM 557 C VAL A 37 -15.950 -2.457 1.498 1.00 0.18 C ATOM 558 O VAL A 37 -16.805 -2.757 2.331 1.00 0.27 O ATOM 559 CB VAL A 37 -13.827 -3.448 2.353 1.00 0.21 C ATOM 560 CG1 VAL A 37 -13.717 -4.407 1.178 1.00 0.24 C ATOM 561 CG2 VAL A 37 -12.456 -3.157 2.942 1.00 0.24 C ATOM 0 H VAL A 37 -14.510 -1.550 3.936 1.00 0.19 H new ATOM 0 HA VAL A 37 -13.977 -1.708 1.085 1.00 0.17 H new ATOM 0 HB VAL A 37 -14.435 -3.923 3.123 1.00 0.21 H new ATOM 0 HG11 VAL A 37 -13.225 -5.324 1.502 1.00 0.24 H new ATOM 0 HG12 VAL A 37 -14.714 -4.642 0.806 1.00 0.24 H new ATOM 0 HG13 VAL A 37 -13.133 -3.943 0.383 1.00 0.24 H new ATOM 0 HG21 VAL A 37 -11.981 -4.092 3.239 1.00 0.24 H new ATOM 0 HG22 VAL A 37 -11.838 -2.657 2.196 1.00 0.24 H new ATOM 0 HG23 VAL A 37 -12.564 -2.512 3.814 1.00 0.24 H new ATOM 571 N GLU A 38 -16.200 -2.388 0.194 1.00 0.24 N ATOM 572 CA GLU A 38 -17.526 -2.671 -0.347 1.00 0.27 C ATOM 573 C GLU A 38 -17.493 -3.915 -1.229 1.00 0.31 C ATOM 574 O GLU A 38 -16.427 -4.359 -1.653 1.00 0.39 O ATOM 575 CB GLU A 38 -18.036 -1.473 -1.151 1.00 0.29 C ATOM 576 CG GLU A 38 -18.185 -0.202 -0.329 1.00 0.33 C ATOM 577 CD GLU A 38 -19.153 -0.362 0.828 1.00 1.05 C ATOM 578 OE1 GLU A 38 -20.366 -0.150 0.619 1.00 0.89 O ATOM 579 OE2 GLU A 38 -18.698 -0.698 1.941 1.00 2.07 O ATOM 0 H GLU A 38 -15.503 -2.139 -0.507 1.00 0.24 H new ATOM 0 HA GLU A 38 -18.204 -2.854 0.486 1.00 0.27 H new ATOM 0 HB2 GLU A 38 -17.350 -1.283 -1.977 1.00 0.29 H new ATOM 0 HB3 GLU A 38 -19.001 -1.726 -1.590 1.00 0.29 H new ATOM 0 HG2 GLU A 38 -17.209 0.092 0.057 1.00 0.33 H new ATOM 0 HG3 GLU A 38 -18.529 0.606 -0.976 1.00 0.33 H new ATOM 586 N ASP A 39 -18.670 -4.472 -1.501 1.00 0.35 N ATOM 587 CA ASP A 39 -18.777 -5.666 -2.334 1.00 0.43 C ATOM 588 C ASP A 39 -19.204 -5.305 -3.752 1.00 0.47 C ATOM 589 O ASP A 39 -20.074 -4.457 -3.953 1.00 0.61 O ATOM 590 CB ASP A 39 -19.779 -6.650 -1.722 1.00 0.52 C ATOM 591 CG ASP A 39 -19.853 -7.954 -2.493 1.00 1.42 C ATOM 592 OD1 ASP A 39 -20.630 -8.022 -3.469 1.00 2.20 O ATOM 593 OD2 ASP A 39 -19.135 -8.905 -2.122 1.00 1.91 O ATOM 0 H ASP A 39 -19.562 -4.116 -1.157 1.00 0.35 H new ATOM 0 HA ASP A 39 -17.795 -6.137 -2.379 1.00 0.43 H new ATOM 0 HB2 ASP A 39 -19.497 -6.857 -0.690 1.00 0.52 H new ATOM 0 HB3 ASP A 39 -20.767 -6.190 -1.696 1.00 0.52 H new ATOM 598 N LEU A 40 -18.590 -5.957 -4.735 1.00 0.46 N ATOM 599 CA LEU A 40 -18.905 -5.704 -6.136 1.00 0.53 C ATOM 600 C LEU A 40 -20.114 -6.518 -6.582 1.00 0.57 C ATOM 601 O LEU A 40 -20.058 -7.746 -6.653 1.00 0.62 O ATOM 602 CB LEU A 40 -17.699 -6.031 -7.020 1.00 0.62 C ATOM 603 CG LEU A 40 -16.472 -5.141 -6.809 1.00 0.86 C ATOM 604 CD1 LEU A 40 -15.313 -5.616 -7.668 1.00 1.05 C ATOM 605 CD2 LEU A 40 -16.807 -3.689 -7.118 1.00 1.02 C ATOM 0 H LEU A 40 -17.871 -6.665 -4.586 1.00 0.46 H new ATOM 0 HA LEU A 40 -19.147 -4.646 -6.240 1.00 0.53 H new ATOM 0 HB2 LEU A 40 -17.410 -7.067 -6.843 1.00 0.62 H new ATOM 0 HB3 LEU A 40 -18.004 -5.959 -8.064 1.00 0.62 H new ATOM 0 HG LEU A 40 -16.173 -5.210 -5.763 1.00 0.86 H new ATOM 0 HD11 LEU A 40 -14.450 -4.971 -7.504 1.00 1.05 H new ATOM 0 HD12 LEU A 40 -15.056 -6.640 -7.398 1.00 1.05 H new ATOM 0 HD13 LEU A 40 -15.600 -5.578 -8.719 1.00 1.05 H new ATOM 0 HD21 LEU A 40 -15.923 -3.071 -6.963 1.00 1.02 H new ATOM 0 HD22 LEU A 40 -17.132 -3.603 -8.155 1.00 1.02 H new ATOM 0 HD23 LEU A 40 -17.606 -3.352 -6.458 1.00 1.02 H new ATOM 617 N LYS A 41 -21.205 -5.823 -6.886 1.00 0.84 N ATOM 618 CA LYS A 41 -22.433 -6.474 -7.327 1.00 1.06 C ATOM 619 C LYS A 41 -22.782 -6.057 -8.753 1.00 1.17 C ATOM 620 O LYS A 41 -22.930 -4.870 -9.039 1.00 1.58 O ATOM 621 CB LYS A 41 -23.588 -6.126 -6.385 1.00 1.22 C ATOM 622 CG LYS A 41 -23.377 -6.607 -4.958 1.00 1.38 C ATOM 623 CD LYS A 41 -24.518 -6.171 -4.049 1.00 1.63 C ATOM 624 CE LYS A 41 -24.342 -6.703 -2.635 1.00 1.68 C ATOM 625 NZ LYS A 41 -24.375 -8.193 -2.593 1.00 2.27 N ATOM 0 H LYS A 41 -21.264 -4.806 -6.835 1.00 0.84 H new ATOM 0 HA LYS A 41 -22.272 -7.552 -7.308 1.00 1.06 H new ATOM 0 HB2 LYS A 41 -23.727 -5.045 -6.378 1.00 1.22 H new ATOM 0 HB3 LYS A 41 -24.507 -6.563 -6.774 1.00 1.22 H new ATOM 0 HG2 LYS A 41 -23.297 -7.694 -4.947 1.00 1.38 H new ATOM 0 HG3 LYS A 41 -22.435 -6.214 -4.576 1.00 1.38 H new ATOM 0 HD2 LYS A 41 -24.569 -5.082 -4.025 1.00 1.63 H new ATOM 0 HD3 LYS A 41 -25.465 -6.526 -4.457 1.00 1.63 H new ATOM 0 HE2 LYS A 41 -23.394 -6.349 -2.230 1.00 1.68 H new ATOM 0 HE3 LYS A 41 -25.130 -6.304 -1.996 1.00 1.68 H new ATOM 0 HZ1 LYS A 41 -24.474 -8.510 -1.608 1.00 2.27 H new ATOM 0 HZ2 LYS A 41 -25.182 -8.538 -3.150 1.00 2.27 H new ATOM 0 HZ3 LYS A 41 -23.492 -8.571 -2.992 1.00 2.27 H new ATOM 639 N LYS A 42 -22.921 -7.043 -9.636 1.00 1.21 N ATOM 640 CA LYS A 42 -23.251 -6.790 -11.034 1.00 1.37 C ATOM 641 C LYS A 42 -22.267 -5.810 -11.675 1.00 1.45 C ATOM 642 O LYS A 42 -21.274 -6.221 -12.275 1.00 1.51 O ATOM 643 CB LYS A 42 -24.677 -6.256 -11.143 1.00 1.51 C ATOM 644 CG LYS A 42 -25.750 -7.312 -10.923 1.00 1.51 C ATOM 645 CD LYS A 42 -25.746 -8.359 -12.027 1.00 1.81 C ATOM 646 CE LYS A 42 -26.904 -9.332 -11.875 1.00 1.87 C ATOM 647 NZ LYS A 42 -28.221 -8.638 -11.911 1.00 2.49 N ATOM 0 H LYS A 42 -22.809 -8.030 -9.405 1.00 1.21 H new ATOM 0 HA LYS A 42 -23.176 -7.734 -11.575 1.00 1.37 H new ATOM 0 HB2 LYS A 42 -24.812 -5.458 -10.413 1.00 1.51 H new ATOM 0 HB3 LYS A 42 -24.814 -5.813 -12.129 1.00 1.51 H new ATOM 0 HG2 LYS A 42 -25.590 -7.798 -9.960 1.00 1.51 H new ATOM 0 HG3 LYS A 42 -26.728 -6.833 -10.880 1.00 1.51 H new ATOM 0 HD2 LYS A 42 -25.808 -7.866 -12.997 1.00 1.81 H new ATOM 0 HD3 LYS A 42 -24.804 -8.907 -12.007 1.00 1.81 H new ATOM 0 HE2 LYS A 42 -26.862 -10.073 -12.673 1.00 1.87 H new ATOM 0 HE3 LYS A 42 -26.804 -9.872 -10.933 1.00 1.87 H new ATOM 0 HZ1 LYS A 42 -28.970 -9.326 -12.127 1.00 2.49 H new ATOM 0 HZ2 LYS A 42 -28.409 -8.201 -10.986 1.00 2.49 H new ATOM 0 HZ3 LYS A 42 -28.205 -7.901 -12.645 1.00 2.49 H new ATOM 661 N ASP A 43 -22.548 -4.516 -11.542 1.00 1.86 N ATOM 662 CA ASP A 43 -21.687 -3.483 -12.108 1.00 2.00 C ATOM 663 C ASP A 43 -21.643 -2.252 -11.206 1.00 1.95 C ATOM 664 O ASP A 43 -22.521 -1.392 -11.273 1.00 2.34 O ATOM 665 CB ASP A 43 -22.173 -3.089 -13.503 1.00 2.46 C ATOM 666 CG ASP A 43 -21.357 -1.960 -14.103 1.00 2.78 C ATOM 667 OD1 ASP A 43 -20.293 -2.245 -14.694 1.00 2.94 O ATOM 668 OD2 ASP A 43 -21.782 -0.792 -13.982 1.00 3.40 O ATOM 0 H ASP A 43 -23.365 -4.159 -11.047 1.00 1.86 H new ATOM 0 HA ASP A 43 -20.679 -3.891 -12.184 1.00 2.00 H new ATOM 0 HB2 ASP A 43 -22.125 -3.957 -14.160 1.00 2.46 H new ATOM 0 HB3 ASP A 43 -23.219 -2.788 -13.449 1.00 2.46 H new ATOM 673 N GLU A 44 -20.616 -2.178 -10.367 1.00 1.52 N ATOM 674 CA GLU A 44 -20.453 -1.050 -9.455 1.00 1.51 C ATOM 675 C GLU A 44 -19.055 -0.453 -9.573 1.00 1.33 C ATOM 676 O GLU A 44 -18.063 -1.179 -9.650 1.00 1.10 O ATOM 677 CB GLU A 44 -20.710 -1.485 -8.012 1.00 1.42 C ATOM 678 CG GLU A 44 -22.141 -1.924 -7.753 1.00 1.69 C ATOM 679 CD GLU A 44 -22.413 -2.195 -6.286 1.00 2.24 C ATOM 680 OE1 GLU A 44 -22.127 -3.322 -5.827 1.00 2.84 O ATOM 681 OE2 GLU A 44 -22.913 -1.283 -5.596 1.00 2.42 O ATOM 0 H GLU A 44 -19.884 -2.885 -10.299 1.00 1.52 H new ATOM 0 HA GLU A 44 -21.182 -0.288 -9.731 1.00 1.51 H new ATOM 0 HB2 GLU A 44 -20.037 -2.306 -7.764 1.00 1.42 H new ATOM 0 HB3 GLU A 44 -20.466 -0.659 -7.344 1.00 1.42 H new ATOM 0 HG2 GLU A 44 -22.824 -1.152 -8.108 1.00 1.69 H new ATOM 0 HG3 GLU A 44 -22.350 -2.825 -8.330 1.00 1.69 H new ATOM 688 N LYS A 45 -18.984 0.873 -9.590 1.00 1.57 N ATOM 689 CA LYS A 45 -17.709 1.569 -9.699 1.00 1.48 C ATOM 690 C LYS A 45 -17.087 1.779 -8.323 1.00 1.22 C ATOM 691 O LYS A 45 -17.789 2.066 -7.352 1.00 1.49 O ATOM 692 CB LYS A 45 -17.898 2.918 -10.397 1.00 1.83 C ATOM 693 CG LYS A 45 -18.575 2.821 -11.757 1.00 2.22 C ATOM 694 CD LYS A 45 -17.672 2.173 -12.797 1.00 1.95 C ATOM 695 CE LYS A 45 -17.916 0.675 -12.902 1.00 2.20 C ATOM 696 NZ LYS A 45 -19.333 0.363 -13.229 1.00 3.04 N ATOM 0 H LYS A 45 -19.796 1.488 -9.530 1.00 1.57 H new ATOM 0 HA LYS A 45 -17.035 0.952 -10.293 1.00 1.48 H new ATOM 0 HB2 LYS A 45 -18.490 3.569 -9.753 1.00 1.83 H new ATOM 0 HB3 LYS A 45 -16.924 3.392 -10.520 1.00 1.83 H new ATOM 0 HG2 LYS A 45 -19.494 2.243 -11.664 1.00 2.22 H new ATOM 0 HG3 LYS A 45 -18.858 3.818 -12.093 1.00 2.22 H new ATOM 0 HD2 LYS A 45 -17.843 2.638 -13.768 1.00 1.95 H new ATOM 0 HD3 LYS A 45 -16.629 2.354 -12.536 1.00 1.95 H new ATOM 0 HE2 LYS A 45 -17.266 0.255 -13.669 1.00 2.20 H new ATOM 0 HE3 LYS A 45 -17.648 0.197 -11.960 1.00 2.20 H new ATOM 0 HZ1 LYS A 45 -19.803 -0.036 -12.391 1.00 3.04 H new ATOM 0 HZ2 LYS A 45 -19.822 1.234 -13.518 1.00 3.04 H new ATOM 0 HZ3 LYS A 45 -19.366 -0.327 -14.006 1.00 3.04 H new ATOM 710 N LYS A 46 -15.768 1.634 -8.245 1.00 0.85 N ATOM 711 CA LYS A 46 -15.053 1.807 -6.986 1.00 0.63 C ATOM 712 C LYS A 46 -14.023 2.925 -7.087 1.00 0.59 C ATOM 713 O LYS A 46 -13.850 3.532 -8.144 1.00 0.73 O ATOM 714 CB LYS A 46 -14.369 0.499 -6.580 1.00 0.43 C ATOM 715 CG LYS A 46 -15.342 -0.604 -6.186 1.00 0.49 C ATOM 716 CD LYS A 46 -16.181 -0.208 -4.982 1.00 0.75 C ATOM 717 CE LYS A 46 -17.150 -1.312 -4.593 1.00 0.88 C ATOM 718 NZ LYS A 46 -16.446 -2.502 -4.042 1.00 1.71 N ATOM 0 H LYS A 46 -15.173 1.397 -9.039 1.00 0.85 H new ATOM 0 HA LYS A 46 -15.780 2.082 -6.222 1.00 0.63 H new ATOM 0 HB2 LYS A 46 -13.753 0.149 -7.408 1.00 0.43 H new ATOM 0 HB3 LYS A 46 -13.698 0.695 -5.744 1.00 0.43 H new ATOM 0 HG2 LYS A 46 -15.997 -0.830 -7.028 1.00 0.49 H new ATOM 0 HG3 LYS A 46 -14.788 -1.515 -5.960 1.00 0.49 H new ATOM 0 HD2 LYS A 46 -15.527 0.018 -4.140 1.00 0.75 H new ATOM 0 HD3 LYS A 46 -16.736 0.703 -5.207 1.00 0.75 H new ATOM 0 HE2 LYS A 46 -17.854 -0.932 -3.853 1.00 0.88 H new ATOM 0 HE3 LYS A 46 -17.733 -1.607 -5.466 1.00 0.88 H new ATOM 0 HZ1 LYS A 46 -17.146 -3.197 -3.711 1.00 1.71 H new ATOM 0 HZ2 LYS A 46 -15.856 -2.931 -4.784 1.00 1.71 H new ATOM 0 HZ3 LYS A 46 -15.844 -2.211 -3.246 1.00 1.71 H new ATOM 732 N ASP A 47 -13.341 3.193 -5.978 1.00 0.48 N ATOM 733 CA ASP A 47 -12.329 4.240 -5.930 1.00 0.44 C ATOM 734 C ASP A 47 -10.993 3.738 -6.464 1.00 0.39 C ATOM 735 O ASP A 47 -10.494 2.697 -6.034 1.00 0.42 O ATOM 736 CB ASP A 47 -12.157 4.744 -4.496 1.00 0.45 C ATOM 737 CG ASP A 47 -11.166 5.888 -4.399 1.00 1.22 C ATOM 738 OD1 ASP A 47 -9.959 5.613 -4.231 1.00 2.20 O ATOM 739 OD2 ASP A 47 -11.596 7.057 -4.494 1.00 1.14 O ATOM 0 H ASP A 47 -13.473 2.696 -5.097 1.00 0.48 H new ATOM 0 HA ASP A 47 -12.666 5.061 -6.563 1.00 0.44 H new ATOM 0 HB2 ASP A 47 -13.123 5.070 -4.110 1.00 0.45 H new ATOM 0 HB3 ASP A 47 -11.822 3.922 -3.863 1.00 0.45 H new ATOM 744 N LYS A 48 -10.419 4.484 -7.401 1.00 0.37 N ATOM 745 CA LYS A 48 -9.138 4.120 -7.991 1.00 0.34 C ATOM 746 C LYS A 48 -8.010 4.957 -7.398 1.00 0.30 C ATOM 747 O LYS A 48 -8.086 6.185 -7.359 1.00 0.39 O ATOM 748 CB LYS A 48 -9.185 4.292 -9.511 1.00 0.41 C ATOM 749 CG LYS A 48 -9.278 2.979 -10.276 1.00 0.46 C ATOM 750 CD LYS A 48 -10.459 2.136 -9.816 1.00 0.64 C ATOM 751 CE LYS A 48 -10.557 0.837 -10.600 1.00 0.82 C ATOM 752 NZ LYS A 48 -11.621 -0.058 -10.063 1.00 1.35 N ATOM 0 H LYS A 48 -10.822 5.346 -7.768 1.00 0.37 H new ATOM 0 HA LYS A 48 -8.942 3.072 -7.762 1.00 0.34 H new ATOM 0 HB2 LYS A 48 -10.042 4.914 -9.770 1.00 0.41 H new ATOM 0 HB3 LYS A 48 -8.292 4.828 -9.834 1.00 0.41 H new ATOM 0 HG2 LYS A 48 -9.373 3.186 -11.342 1.00 0.46 H new ATOM 0 HG3 LYS A 48 -8.355 2.415 -10.142 1.00 0.46 H new ATOM 0 HD2 LYS A 48 -10.357 1.914 -8.754 1.00 0.64 H new ATOM 0 HD3 LYS A 48 -11.381 2.704 -9.935 1.00 0.64 H new ATOM 0 HE2 LYS A 48 -10.764 1.060 -11.647 1.00 0.82 H new ATOM 0 HE3 LYS A 48 -9.598 0.320 -10.568 1.00 0.82 H new ATOM 0 HZ1 LYS A 48 -11.655 -0.932 -10.625 1.00 1.35 H new ATOM 0 HZ2 LYS A 48 -11.411 -0.292 -9.072 1.00 1.35 H new ATOM 0 HZ3 LYS A 48 -12.541 0.425 -10.117 1.00 1.35 H new ATOM 766 N VAL A 49 -6.966 4.278 -6.939 1.00 0.29 N ATOM 767 CA VAL A 49 -5.816 4.942 -6.336 1.00 0.27 C ATOM 768 C VAL A 49 -4.602 4.903 -7.265 1.00 0.23 C ATOM 769 O VAL A 49 -4.349 3.901 -7.934 1.00 0.28 O ATOM 770 CB VAL A 49 -5.454 4.284 -4.988 1.00 0.31 C ATOM 771 CG1 VAL A 49 -5.283 2.784 -5.154 1.00 0.61 C ATOM 772 CG2 VAL A 49 -4.202 4.906 -4.393 1.00 0.87 C ATOM 0 H VAL A 49 -6.892 3.261 -6.973 1.00 0.29 H new ATOM 0 HA VAL A 49 -6.091 5.983 -6.167 1.00 0.27 H new ATOM 0 HB VAL A 49 -6.277 4.462 -4.295 1.00 0.31 H new ATOM 0 HG11 VAL A 49 -5.028 2.338 -4.193 1.00 0.61 H new ATOM 0 HG12 VAL A 49 -6.214 2.350 -5.520 1.00 0.61 H new ATOM 0 HG13 VAL A 49 -4.485 2.586 -5.869 1.00 0.61 H new ATOM 0 HG21 VAL A 49 -3.971 4.422 -3.444 1.00 0.87 H new ATOM 0 HG22 VAL A 49 -3.367 4.772 -5.081 1.00 0.87 H new ATOM 0 HG23 VAL A 49 -4.368 5.970 -4.227 1.00 0.87 H new ATOM 782 N LEU A 50 -3.854 6.006 -7.301 1.00 0.21 N ATOM 783 CA LEU A 50 -2.666 6.104 -8.144 1.00 0.21 C ATOM 784 C LEU A 50 -1.470 5.443 -7.465 1.00 0.20 C ATOM 785 O LEU A 50 -0.970 5.936 -6.454 1.00 0.26 O ATOM 786 CB LEU A 50 -2.349 7.573 -8.440 1.00 0.24 C ATOM 787 CG LEU A 50 -1.078 7.818 -9.255 1.00 0.29 C ATOM 788 CD1 LEU A 50 -1.230 7.275 -10.669 1.00 0.31 C ATOM 789 CD2 LEU A 50 -0.745 9.303 -9.286 1.00 0.35 C ATOM 0 H LEU A 50 -4.052 6.844 -6.755 1.00 0.21 H new ATOM 0 HA LEU A 50 -2.866 5.585 -9.082 1.00 0.21 H new ATOM 0 HB2 LEU A 50 -3.193 8.009 -8.975 1.00 0.24 H new ATOM 0 HB3 LEU A 50 -2.262 8.106 -7.493 1.00 0.24 H new ATOM 0 HG LEU A 50 -0.256 7.288 -8.774 1.00 0.29 H new ATOM 0 HD11 LEU A 50 -0.314 7.460 -11.230 1.00 0.31 H new ATOM 0 HD12 LEU A 50 -1.420 6.202 -10.628 1.00 0.31 H new ATOM 0 HD13 LEU A 50 -2.065 7.773 -11.162 1.00 0.31 H new ATOM 0 HD21 LEU A 50 0.162 9.460 -9.870 1.00 0.35 H new ATOM 0 HD22 LEU A 50 -1.570 9.851 -9.742 1.00 0.35 H new ATOM 0 HD23 LEU A 50 -0.589 9.662 -8.269 1.00 0.35 H new ATOM 801 N LEU A 51 -1.009 4.328 -8.027 1.00 0.20 N ATOM 802 CA LEU A 51 0.122 3.602 -7.456 1.00 0.22 C ATOM 803 C LEU A 51 1.393 3.816 -8.272 1.00 0.23 C ATOM 804 O LEU A 51 1.354 3.883 -9.502 1.00 0.37 O ATOM 805 CB LEU A 51 -0.191 2.104 -7.369 1.00 0.24 C ATOM 806 CG LEU A 51 -1.559 1.745 -6.770 1.00 0.58 C ATOM 807 CD1 LEU A 51 -1.568 0.301 -6.291 1.00 0.98 C ATOM 808 CD2 LEU A 51 -1.919 2.686 -5.631 1.00 1.50 C ATOM 0 H LEU A 51 -1.398 3.910 -8.872 1.00 0.20 H new ATOM 0 HA LEU A 51 0.290 3.994 -6.453 1.00 0.22 H new ATOM 0 HB2 LEU A 51 -0.131 1.680 -8.371 1.00 0.24 H new ATOM 0 HB3 LEU A 51 0.584 1.623 -6.772 1.00 0.24 H new ATOM 0 HG LEU A 51 -2.311 1.857 -7.552 1.00 0.58 H new ATOM 0 HD11 LEU A 51 -2.545 0.064 -5.870 1.00 0.98 H new ATOM 0 HD12 LEU A 51 -1.364 -0.362 -7.132 1.00 0.98 H new ATOM 0 HD13 LEU A 51 -0.801 0.166 -5.528 1.00 0.98 H new ATOM 0 HD21 LEU A 51 -2.892 2.410 -5.225 1.00 1.50 H new ATOM 0 HD22 LEU A 51 -1.165 2.614 -4.847 1.00 1.50 H new ATOM 0 HD23 LEU A 51 -1.959 3.710 -6.003 1.00 1.50 H new ATOM 820 N SER A 52 2.519 3.922 -7.569 1.00 0.17 N ATOM 821 CA SER A 52 3.814 4.124 -8.215 1.00 0.18 C ATOM 822 C SER A 52 4.871 3.200 -7.614 1.00 0.20 C ATOM 823 O SER A 52 4.818 2.869 -6.431 1.00 0.28 O ATOM 824 CB SER A 52 4.255 5.582 -8.067 1.00 0.18 C ATOM 825 OG SER A 52 3.261 6.468 -8.552 1.00 1.18 O ATOM 0 H SER A 52 2.560 3.871 -6.551 1.00 0.17 H new ATOM 0 HA SER A 52 3.707 3.886 -9.273 1.00 0.18 H new ATOM 0 HB2 SER A 52 4.459 5.799 -7.018 1.00 0.18 H new ATOM 0 HB3 SER A 52 5.185 5.741 -8.612 1.00 0.18 H new ATOM 0 HG SER A 52 3.567 7.393 -8.445 1.00 1.18 H new ATOM 831 N TYR A 53 5.833 2.783 -8.437 1.00 0.19 N ATOM 832 CA TYR A 53 6.899 1.896 -7.979 1.00 0.21 C ATOM 833 C TYR A 53 8.206 2.657 -7.783 1.00 0.20 C ATOM 834 O TYR A 53 8.427 3.702 -8.395 1.00 0.21 O ATOM 835 CB TYR A 53 7.115 0.753 -8.972 1.00 0.25 C ATOM 836 CG TYR A 53 6.126 -0.382 -8.818 1.00 0.36 C ATOM 837 CD1 TYR A 53 6.216 -1.261 -7.747 1.00 0.52 C ATOM 838 CD2 TYR A 53 5.108 -0.576 -9.743 1.00 0.52 C ATOM 839 CE1 TYR A 53 5.318 -2.299 -7.599 1.00 0.64 C ATOM 840 CE2 TYR A 53 4.204 -1.612 -9.601 1.00 0.65 C ATOM 841 CZ TYR A 53 4.314 -2.472 -8.528 1.00 0.66 C ATOM 842 OH TYR A 53 3.415 -3.504 -8.384 1.00 0.82 O ATOM 0 H TYR A 53 5.895 3.045 -9.421 1.00 0.19 H new ATOM 0 HA TYR A 53 6.590 1.483 -7.019 1.00 0.21 H new ATOM 0 HB2 TYR A 53 7.047 1.147 -9.986 1.00 0.25 H new ATOM 0 HB3 TYR A 53 8.125 0.362 -8.849 1.00 0.25 H new ATOM 0 HD1 TYR A 53 7.002 -1.130 -7.018 1.00 0.52 H new ATOM 0 HD2 TYR A 53 5.021 0.093 -10.586 1.00 0.52 H new ATOM 0 HE1 TYR A 53 5.402 -2.973 -6.759 1.00 0.64 H new ATOM 0 HE2 TYR A 53 3.416 -1.747 -10.326 1.00 0.65 H new ATOM 0 HH TYR A 53 2.772 -3.483 -9.123 1.00 0.82 H new ATOM 852 N TYR A 54 9.068 2.124 -6.919 1.00 0.21 N ATOM 853 CA TYR A 54 10.360 2.744 -6.640 1.00 0.22 C ATOM 854 C TYR A 54 11.439 1.684 -6.440 1.00 0.25 C ATOM 855 O TYR A 54 11.205 0.657 -5.803 1.00 0.31 O ATOM 856 CB TYR A 54 10.270 3.639 -5.402 1.00 0.22 C ATOM 857 CG TYR A 54 9.463 4.898 -5.626 1.00 0.23 C ATOM 858 CD1 TYR A 54 8.092 4.913 -5.411 1.00 0.22 C ATOM 859 CD2 TYR A 54 10.074 6.071 -6.048 1.00 0.31 C ATOM 860 CE1 TYR A 54 7.350 6.061 -5.610 1.00 0.25 C ATOM 861 CE2 TYR A 54 9.340 7.226 -6.246 1.00 0.35 C ATOM 862 CZ TYR A 54 7.983 7.212 -6.055 1.00 0.30 C ATOM 863 OH TYR A 54 7.245 8.363 -6.224 1.00 0.35 O ATOM 0 H TYR A 54 8.894 1.263 -6.400 1.00 0.21 H new ATOM 0 HA TYR A 54 10.631 3.357 -7.499 1.00 0.22 H new ATOM 0 HB2 TYR A 54 9.824 3.072 -4.585 1.00 0.22 H new ATOM 0 HB3 TYR A 54 11.277 3.913 -5.088 1.00 0.22 H new ATOM 0 HD1 TYR A 54 7.597 4.011 -5.082 1.00 0.22 H new ATOM 0 HD2 TYR A 54 11.139 6.082 -6.224 1.00 0.31 H new ATOM 0 HE1 TYR A 54 6.287 6.062 -5.421 1.00 0.25 H new ATOM 0 HE2 TYR A 54 9.835 8.137 -6.550 1.00 0.35 H new ATOM 0 HH TYR A 54 7.830 9.083 -6.539 1.00 0.35 H new ATOM 873 N GLU A 55 12.621 1.941 -6.993 1.00 0.26 N ATOM 874 CA GLU A 55 13.738 1.009 -6.878 1.00 0.30 C ATOM 875 C GLU A 55 14.755 1.502 -5.852 1.00 0.33 C ATOM 876 O GLU A 55 14.853 2.700 -5.586 1.00 0.53 O ATOM 877 CB GLU A 55 14.413 0.810 -8.240 1.00 0.44 C ATOM 878 CG GLU A 55 15.211 2.015 -8.720 1.00 1.14 C ATOM 879 CD GLU A 55 14.348 3.238 -8.958 1.00 1.52 C ATOM 880 OE1 GLU A 55 13.779 3.358 -10.064 1.00 1.73 O ATOM 881 OE2 GLU A 55 14.244 4.079 -8.041 1.00 2.05 O ATOM 0 H GLU A 55 12.830 2.786 -7.525 1.00 0.26 H new ATOM 0 HA GLU A 55 13.345 0.051 -6.538 1.00 0.30 H new ATOM 0 HB2 GLU A 55 15.077 -0.052 -8.182 1.00 0.44 H new ATOM 0 HB3 GLU A 55 13.649 0.575 -8.981 1.00 0.44 H new ATOM 0 HG2 GLU A 55 15.976 2.255 -7.982 1.00 1.14 H new ATOM 0 HG3 GLU A 55 15.729 1.757 -9.644 1.00 1.14 H new ATOM 888 N SER A 56 15.508 0.568 -5.279 1.00 0.45 N ATOM 889 CA SER A 56 16.516 0.901 -4.281 1.00 0.57 C ATOM 890 C SER A 56 17.895 0.416 -4.717 1.00 0.83 C ATOM 891 O SER A 56 18.012 -0.531 -5.493 1.00 1.21 O ATOM 892 CB SER A 56 16.149 0.284 -2.930 1.00 0.71 C ATOM 893 OG SER A 56 17.123 0.587 -1.946 1.00 1.19 O ATOM 0 H SER A 56 15.438 -0.427 -5.490 1.00 0.45 H new ATOM 0 HA SER A 56 16.548 1.986 -4.181 1.00 0.57 H new ATOM 0 HB2 SER A 56 15.176 0.657 -2.609 1.00 0.71 H new ATOM 0 HB3 SER A 56 16.058 -0.797 -3.034 1.00 0.71 H new ATOM 0 HG SER A 56 16.863 0.182 -1.092 1.00 1.19 H new ATOM 899 N GLN A 57 18.936 1.070 -4.211 1.00 0.92 N ATOM 900 CA GLN A 57 20.307 0.704 -4.550 1.00 1.22 C ATOM 901 C GLN A 57 21.157 0.542 -3.292 1.00 1.17 C ATOM 902 O GLN A 57 21.115 1.379 -2.390 1.00 1.33 O ATOM 903 CB GLN A 57 20.926 1.756 -5.471 1.00 1.70 C ATOM 904 CG GLN A 57 20.969 3.151 -4.865 1.00 1.81 C ATOM 905 CD GLN A 57 21.551 4.184 -5.810 1.00 2.29 C ATOM 906 OE1 GLN A 57 22.467 3.751 -6.671 1.00 2.89 O flip ATOM 907 NE2 GLN A 57 21.183 5.357 -5.767 1.00 2.56 N flip ATOM 0 H GLN A 57 18.856 1.856 -3.565 1.00 0.92 H new ATOM 0 HA GLN A 57 20.282 -0.253 -5.072 1.00 1.22 H new ATOM 0 HB2 GLN A 57 21.940 1.450 -5.728 1.00 1.70 H new ATOM 0 HB3 GLN A 57 20.359 1.791 -6.401 1.00 1.70 H new ATOM 0 HG2 GLN A 57 19.960 3.451 -4.583 1.00 1.81 H new ATOM 0 HG3 GLN A 57 21.562 3.127 -3.951 1.00 1.81 H new ATOM 0 HE21 GLN A 57 20.477 5.646 -5.090 1.00 2.56 H new ATOM 0 HE22 GLN A 57 21.584 6.041 -6.409 1.00 2.56 H new ATOM 916 N HIS A 58 21.929 -0.540 -3.240 1.00 1.16 N ATOM 917 CA HIS A 58 22.792 -0.816 -2.097 1.00 1.25 C ATOM 918 C HIS A 58 24.239 -0.414 -2.396 1.00 1.32 C ATOM 919 O HIS A 58 24.835 -0.907 -3.354 1.00 1.40 O ATOM 920 CB HIS A 58 22.729 -2.302 -1.735 1.00 1.42 C ATOM 921 CG HIS A 58 23.568 -2.669 -0.550 1.00 1.68 C ATOM 922 ND1 HIS A 58 24.751 -3.373 -0.653 1.00 2.18 N ATOM 923 CD2 HIS A 58 23.390 -2.430 0.770 1.00 2.23 C ATOM 924 CE1 HIS A 58 25.263 -3.550 0.551 1.00 2.52 C ATOM 925 NE2 HIS A 58 24.456 -2.988 1.433 1.00 2.46 N ATOM 0 H HIS A 58 21.974 -1.242 -3.979 1.00 1.16 H new ATOM 0 HA HIS A 58 22.437 -0.226 -1.252 1.00 1.25 H new ATOM 0 HB2 HIS A 58 21.693 -2.574 -1.534 1.00 1.42 H new ATOM 0 HB3 HIS A 58 23.052 -2.890 -2.594 1.00 1.42 H new ATOM 0 HD2 HIS A 58 22.563 -1.899 1.219 1.00 2.23 H new ATOM 0 HE1 HIS A 58 26.184 -4.066 0.776 1.00 2.52 H new ATOM 0 HE2 HIS A 58 24.601 -2.971 2.443 1.00 2.46 H new ATOM 934 N PRO A 59 24.828 0.485 -1.580 1.00 1.53 N ATOM 935 CA PRO A 59 26.211 0.938 -1.779 1.00 1.67 C ATOM 936 C PRO A 59 27.226 -0.168 -1.511 1.00 1.84 C ATOM 937 O PRO A 59 26.999 -1.043 -0.675 1.00 2.52 O ATOM 938 CB PRO A 59 26.370 2.069 -0.759 1.00 2.10 C ATOM 939 CG PRO A 59 25.359 1.779 0.295 1.00 2.33 C ATOM 940 CD PRO A 59 24.200 1.133 -0.412 1.00 1.88 C ATOM 0 HA PRO A 59 26.392 1.249 -2.808 1.00 1.67 H new ATOM 0 HB2 PRO A 59 27.378 2.089 -0.345 1.00 2.10 H new ATOM 0 HB3 PRO A 59 26.195 3.042 -1.218 1.00 2.10 H new ATOM 0 HG2 PRO A 59 25.769 1.117 1.058 1.00 2.33 H new ATOM 0 HG3 PRO A 59 25.048 2.694 0.800 1.00 2.33 H new ATOM 0 HD2 PRO A 59 23.694 0.408 0.226 1.00 1.88 H new ATOM 0 HD3 PRO A 59 23.453 1.868 -0.714 1.00 1.88 H new ATOM 948 N SER A 60 28.346 -0.121 -2.230 1.00 1.87 N ATOM 949 CA SER A 60 29.404 -1.116 -2.079 1.00 2.25 C ATOM 950 C SER A 60 28.871 -2.523 -2.334 1.00 2.28 C ATOM 951 O SER A 60 28.765 -3.335 -1.415 1.00 2.89 O ATOM 952 CB SER A 60 30.020 -1.033 -0.680 1.00 2.98 C ATOM 953 OG SER A 60 31.056 -1.988 -0.522 1.00 3.59 O ATOM 0 H SER A 60 28.544 0.599 -2.925 1.00 1.87 H new ATOM 0 HA SER A 60 30.176 -0.902 -2.818 1.00 2.25 H new ATOM 0 HB2 SER A 60 30.416 -0.031 -0.512 1.00 2.98 H new ATOM 0 HB3 SER A 60 29.248 -1.201 0.071 1.00 2.98 H new ATOM 0 HG SER A 60 31.434 -1.914 0.379 1.00 3.59 H new ATOM 959 N ASN A 61 28.538 -2.801 -3.590 1.00 2.36 N ATOM 960 CA ASN A 61 28.016 -4.107 -3.974 1.00 2.83 C ATOM 961 C ASN A 61 28.049 -4.277 -5.488 1.00 3.18 C ATOM 962 O ASN A 61 28.364 -5.354 -5.994 1.00 3.77 O ATOM 963 CB ASN A 61 26.585 -4.280 -3.462 1.00 3.70 C ATOM 964 CG ASN A 61 26.035 -5.665 -3.739 1.00 4.39 C ATOM 965 OD1 ASN A 61 26.177 -6.577 -2.924 1.00 4.96 O ATOM 966 ND2 ASN A 61 25.403 -5.831 -4.896 1.00 4.80 N ATOM 0 H ASN A 61 28.621 -2.138 -4.361 1.00 2.36 H new ATOM 0 HA ASN A 61 28.649 -4.871 -3.524 1.00 2.83 H new ATOM 0 HB2 ASN A 61 26.561 -4.090 -2.389 1.00 3.70 H new ATOM 0 HB3 ASN A 61 25.942 -3.536 -3.932 1.00 3.70 H new ATOM 0 HD21 ASN A 61 25.013 -6.742 -5.138 1.00 4.80 H new ATOM 0 HD22 ASN A 61 25.308 -5.048 -5.542 1.00 4.80 H new ATOM 973 N GLU A 62 27.722 -3.203 -6.204 1.00 3.41 N ATOM 974 CA GLU A 62 27.717 -3.223 -7.664 1.00 4.31 C ATOM 975 C GLU A 62 26.821 -4.339 -8.196 1.00 4.66 C ATOM 976 O GLU A 62 27.265 -5.475 -8.371 1.00 5.26 O ATOM 977 CB GLU A 62 29.141 -3.393 -8.200 1.00 5.11 C ATOM 978 CG GLU A 62 29.233 -3.342 -9.716 1.00 6.02 C ATOM 979 CD GLU A 62 30.654 -3.508 -10.219 1.00 6.49 C ATOM 980 OE1 GLU A 62 31.068 -4.663 -10.457 1.00 6.92 O ATOM 981 OE2 GLU A 62 31.350 -2.484 -10.375 1.00 6.66 O ATOM 0 H GLU A 62 27.457 -2.307 -5.795 1.00 3.41 H new ATOM 0 HA GLU A 62 27.318 -2.270 -8.011 1.00 4.31 H new ATOM 0 HB2 GLU A 62 29.774 -2.611 -7.780 1.00 5.11 H new ATOM 0 HB3 GLU A 62 29.539 -4.346 -7.852 1.00 5.11 H new ATOM 0 HG2 GLU A 62 28.607 -4.126 -10.141 1.00 6.02 H new ATOM 0 HG3 GLU A 62 28.835 -2.390 -10.069 1.00 6.02 H new ATOM 988 N SER A 63 25.560 -4.008 -8.453 1.00 4.71 N ATOM 989 CA SER A 63 24.604 -4.981 -8.968 1.00 5.40 C ATOM 990 C SER A 63 25.031 -5.480 -10.345 1.00 5.72 C ATOM 991 O SER A 63 25.644 -4.744 -11.117 1.00 6.12 O ATOM 992 CB SER A 63 23.205 -4.367 -9.044 1.00 6.13 C ATOM 993 OG SER A 63 22.762 -3.944 -7.765 1.00 6.64 O ATOM 0 H SER A 63 25.176 -3.073 -8.313 1.00 4.71 H new ATOM 0 HA SER A 63 24.580 -5.829 -8.283 1.00 5.40 H new ATOM 0 HB2 SER A 63 23.214 -3.518 -9.728 1.00 6.13 H new ATOM 0 HB3 SER A 63 22.506 -5.097 -9.451 1.00 6.13 H new ATOM 0 HG SER A 63 21.866 -3.554 -7.842 1.00 6.64 H new ATOM 999 N GLY A 64 24.702 -6.733 -10.644 1.00 5.83 N ATOM 1000 CA GLY A 64 25.063 -7.305 -11.928 1.00 6.37 C ATOM 1001 C GLY A 64 24.057 -8.330 -12.413 1.00 6.20 C ATOM 1002 O GLY A 64 24.302 -9.032 -13.395 1.00 6.52 O ATOM 0 H GLY A 64 24.193 -7.361 -10.022 1.00 5.83 H new ATOM 0 HA2 GLY A 64 25.148 -6.507 -12.666 1.00 6.37 H new ATOM 0 HA3 GLY A 64 26.044 -7.773 -11.850 1.00 6.37 H new ATOM 1006 N ASP A 65 22.920 -8.415 -11.723 1.00 5.88 N ATOM 1007 CA ASP A 65 21.867 -9.359 -12.084 1.00 5.83 C ATOM 1008 C ASP A 65 22.389 -10.794 -12.074 1.00 5.38 C ATOM 1009 O ASP A 65 22.878 -11.296 -13.088 1.00 5.77 O ATOM 1010 CB ASP A 65 21.298 -9.019 -13.464 1.00 6.69 C ATOM 1011 CG ASP A 65 20.671 -7.640 -13.506 1.00 7.43 C ATOM 1012 OD1 ASP A 65 21.402 -6.664 -13.777 1.00 7.57 O ATOM 1013 OD2 ASP A 65 19.450 -7.534 -13.266 1.00 8.04 O ATOM 0 H ASP A 65 22.706 -7.839 -10.909 1.00 5.88 H new ATOM 0 HA ASP A 65 21.074 -9.278 -11.341 1.00 5.83 H new ATOM 0 HB2 ASP A 65 22.094 -9.076 -14.206 1.00 6.69 H new ATOM 0 HB3 ASP A 65 20.551 -9.763 -13.740 1.00 6.69 H new ATOM 1018 N GLY A 66 22.280 -11.449 -10.921 1.00 4.75 N ATOM 1019 CA GLY A 66 22.743 -12.819 -10.800 1.00 4.50 C ATOM 1020 C GLY A 66 22.344 -13.450 -9.480 1.00 4.15 C ATOM 1021 O GLY A 66 21.918 -14.605 -9.441 1.00 4.62 O ATOM 0 H GLY A 66 21.880 -11.055 -10.070 1.00 4.75 H new ATOM 0 HA2 GLY A 66 22.336 -13.411 -11.620 1.00 4.50 H new ATOM 0 HA3 GLY A 66 23.828 -12.843 -10.898 1.00 4.50 H new ATOM 1025 N VAL A 67 22.483 -12.691 -8.397 1.00 3.74 N ATOM 1026 CA VAL A 67 22.140 -13.179 -7.069 1.00 3.83 C ATOM 1027 C VAL A 67 21.478 -12.085 -6.238 1.00 3.19 C ATOM 1028 O VAL A 67 21.953 -10.950 -6.194 1.00 3.45 O ATOM 1029 CB VAL A 67 23.383 -13.701 -6.322 1.00 4.57 C ATOM 1030 CG1 VAL A 67 23.918 -14.961 -6.984 1.00 5.42 C ATOM 1031 CG2 VAL A 67 24.459 -12.625 -6.262 1.00 4.44 C ATOM 0 H VAL A 67 22.832 -11.733 -8.415 1.00 3.74 H new ATOM 0 HA VAL A 67 21.439 -14.002 -7.204 1.00 3.83 H new ATOM 0 HB VAL A 67 23.091 -13.952 -5.302 1.00 4.57 H new ATOM 0 HG11 VAL A 67 24.795 -15.313 -6.441 1.00 5.42 H new ATOM 0 HG12 VAL A 67 23.149 -15.733 -6.971 1.00 5.42 H new ATOM 0 HG13 VAL A 67 24.194 -14.741 -8.015 1.00 5.42 H new ATOM 0 HG21 VAL A 67 25.330 -13.010 -5.731 1.00 4.44 H new ATOM 0 HG22 VAL A 67 24.747 -12.342 -7.274 1.00 4.44 H new ATOM 0 HG23 VAL A 67 24.071 -11.752 -5.737 1.00 4.44 H new ATOM 1041 N ASP A 68 20.371 -12.438 -5.588 1.00 2.69 N ATOM 1042 CA ASP A 68 19.628 -11.499 -4.750 1.00 2.47 C ATOM 1043 C ASP A 68 19.081 -10.333 -5.570 1.00 1.74 C ATOM 1044 O ASP A 68 19.498 -10.105 -6.706 1.00 2.03 O ATOM 1045 CB ASP A 68 20.516 -10.971 -3.619 1.00 3.50 C ATOM 1046 CG ASP A 68 21.000 -12.075 -2.699 1.00 4.42 C ATOM 1047 OD1 ASP A 68 22.026 -12.709 -3.022 1.00 4.69 O ATOM 1048 OD2 ASP A 68 20.354 -12.305 -1.654 1.00 5.19 O ATOM 0 H ASP A 68 19.967 -13.374 -5.626 1.00 2.69 H new ATOM 0 HA ASP A 68 18.784 -12.038 -4.320 1.00 2.47 H new ATOM 0 HB2 ASP A 68 21.376 -10.455 -4.047 1.00 3.50 H new ATOM 0 HB3 ASP A 68 19.960 -10.235 -3.038 1.00 3.50 H new ATOM 1053 N GLY A 69 18.138 -9.599 -4.986 1.00 1.09 N ATOM 1054 CA GLY A 69 17.545 -8.465 -5.671 1.00 0.76 C ATOM 1055 C GLY A 69 17.069 -7.393 -4.710 1.00 0.68 C ATOM 1056 O GLY A 69 16.549 -7.700 -3.637 1.00 0.66 O ATOM 0 H GLY A 69 17.774 -9.770 -4.049 1.00 1.09 H new ATOM 0 HA2 GLY A 69 18.275 -8.036 -6.357 1.00 0.76 H new ATOM 0 HA3 GLY A 69 16.704 -8.808 -6.274 1.00 0.76 H new ATOM 1060 N LYS A 70 17.245 -6.134 -5.095 1.00 0.67 N ATOM 1061 CA LYS A 70 16.828 -5.014 -4.259 1.00 0.60 C ATOM 1062 C LYS A 70 15.310 -4.972 -4.134 1.00 0.51 C ATOM 1063 O LYS A 70 14.589 -5.235 -5.096 1.00 0.50 O ATOM 1064 CB LYS A 70 17.341 -3.696 -4.840 1.00 0.66 C ATOM 1065 CG LYS A 70 18.845 -3.668 -5.079 1.00 0.76 C ATOM 1066 CD LYS A 70 19.626 -3.629 -3.774 1.00 1.25 C ATOM 1067 CE LYS A 70 19.990 -5.027 -3.292 1.00 1.58 C ATOM 1068 NZ LYS A 70 20.783 -4.991 -2.033 1.00 2.43 N ATOM 0 H LYS A 70 17.673 -5.863 -5.980 1.00 0.67 H new ATOM 0 HA LYS A 70 17.255 -5.153 -3.266 1.00 0.60 H new ATOM 0 HB2 LYS A 70 16.830 -3.503 -5.783 1.00 0.66 H new ATOM 0 HB3 LYS A 70 17.076 -2.884 -4.162 1.00 0.66 H new ATOM 0 HG2 LYS A 70 19.138 -4.548 -5.651 1.00 0.76 H new ATOM 0 HG3 LYS A 70 19.101 -2.796 -5.681 1.00 0.76 H new ATOM 0 HD2 LYS A 70 20.535 -3.044 -3.912 1.00 1.25 H new ATOM 0 HD3 LYS A 70 19.034 -3.124 -3.011 1.00 1.25 H new ATOM 0 HE2 LYS A 70 19.079 -5.604 -3.131 1.00 1.58 H new ATOM 0 HE3 LYS A 70 20.560 -5.541 -4.066 1.00 1.58 H new ATOM 0 HZ1 LYS A 70 20.739 -5.920 -1.568 1.00 2.43 H new ATOM 0 HZ2 LYS A 70 21.773 -4.761 -2.253 1.00 2.43 H new ATOM 0 HZ3 LYS A 70 20.392 -4.267 -1.397 1.00 2.43 H new ATOM 1082 N MET A 71 14.832 -4.641 -2.939 1.00 0.45 N ATOM 1083 CA MET A 71 13.400 -4.563 -2.684 1.00 0.36 C ATOM 1084 C MET A 71 12.796 -3.331 -3.353 1.00 0.33 C ATOM 1085 O MET A 71 13.337 -2.230 -3.252 1.00 0.36 O ATOM 1086 CB MET A 71 13.129 -4.531 -1.179 1.00 0.35 C ATOM 1087 CG MET A 71 13.751 -3.338 -0.475 1.00 0.39 C ATOM 1088 SD MET A 71 13.547 -3.401 1.316 1.00 0.40 S ATOM 1089 CE MET A 71 14.435 -1.924 1.807 1.00 0.47 C ATOM 0 H MET A 71 15.416 -4.423 -2.132 1.00 0.45 H new ATOM 0 HA MET A 71 12.930 -5.450 -3.109 1.00 0.36 H new ATOM 0 HB2 MET A 71 12.052 -4.520 -1.012 1.00 0.35 H new ATOM 0 HB3 MET A 71 13.511 -5.448 -0.730 1.00 0.35 H new ATOM 0 HG2 MET A 71 14.814 -3.294 -0.714 1.00 0.39 H new ATOM 0 HG3 MET A 71 13.300 -2.421 -0.856 1.00 0.39 H new ATOM 0 HE1 MET A 71 13.932 -1.463 2.657 1.00 0.47 H new ATOM 0 HE2 MET A 71 15.454 -2.189 2.089 1.00 0.47 H new ATOM 0 HE3 MET A 71 14.460 -1.221 0.975 1.00 0.47 H new ATOM 1099 N LEU A 72 11.675 -3.529 -4.036 1.00 0.30 N ATOM 1100 CA LEU A 72 10.994 -2.436 -4.724 1.00 0.29 C ATOM 1101 C LEU A 72 9.891 -1.845 -3.853 1.00 0.28 C ATOM 1102 O LEU A 72 8.987 -2.557 -3.412 1.00 0.33 O ATOM 1103 CB LEU A 72 10.403 -2.933 -6.045 1.00 0.29 C ATOM 1104 CG LEU A 72 11.421 -3.427 -7.074 1.00 0.32 C ATOM 1105 CD1 LEU A 72 10.716 -4.078 -8.253 1.00 0.34 C ATOM 1106 CD2 LEU A 72 12.301 -2.279 -7.547 1.00 0.34 C ATOM 0 H LEU A 72 11.217 -4.436 -4.129 1.00 0.30 H new ATOM 0 HA LEU A 72 11.727 -1.655 -4.928 1.00 0.29 H new ATOM 0 HB2 LEU A 72 9.707 -3.743 -5.830 1.00 0.29 H new ATOM 0 HB3 LEU A 72 9.824 -2.125 -6.491 1.00 0.29 H new ATOM 0 HG LEU A 72 12.056 -4.174 -6.598 1.00 0.32 H new ATOM 0 HD11 LEU A 72 11.457 -4.423 -8.974 1.00 0.34 H new ATOM 0 HD12 LEU A 72 10.128 -4.926 -7.902 1.00 0.34 H new ATOM 0 HD13 LEU A 72 10.057 -3.352 -8.729 1.00 0.34 H new ATOM 0 HD21 LEU A 72 13.019 -2.649 -8.279 1.00 0.34 H new ATOM 0 HD22 LEU A 72 11.680 -1.509 -8.005 1.00 0.34 H new ATOM 0 HD23 LEU A 72 12.835 -1.855 -6.696 1.00 0.34 H new ATOM 1118 N MET A 73 9.971 -0.539 -3.607 1.00 0.26 N ATOM 1119 CA MET A 73 8.972 0.145 -2.793 1.00 0.26 C ATOM 1120 C MET A 73 7.770 0.550 -3.641 1.00 0.21 C ATOM 1121 O MET A 73 7.825 0.516 -4.871 1.00 0.20 O ATOM 1122 CB MET A 73 9.574 1.383 -2.125 1.00 0.30 C ATOM 1123 CG MET A 73 10.639 1.062 -1.087 1.00 0.36 C ATOM 1124 SD MET A 73 12.192 0.523 -1.825 1.00 1.17 S ATOM 1125 CE MET A 73 12.689 2.012 -2.686 1.00 0.80 C ATOM 0 H MET A 73 10.715 0.064 -3.959 1.00 0.26 H new ATOM 0 HA MET A 73 8.640 -0.547 -2.019 1.00 0.26 H new ATOM 0 HB2 MET A 73 10.009 2.024 -2.892 1.00 0.30 H new ATOM 0 HB3 MET A 73 8.776 1.952 -1.649 1.00 0.30 H new ATOM 0 HG2 MET A 73 10.820 1.945 -0.474 1.00 0.36 H new ATOM 0 HG3 MET A 73 10.268 0.282 -0.422 1.00 0.36 H new ATOM 0 HE1 MET A 73 12.654 1.839 -3.762 1.00 0.80 H new ATOM 0 HE2 MET A 73 12.011 2.825 -2.427 1.00 0.80 H new ATOM 0 HE3 MET A 73 13.705 2.279 -2.394 1.00 0.80 H new ATOM 1135 N VAL A 74 6.689 0.939 -2.973 1.00 0.20 N ATOM 1136 CA VAL A 74 5.471 1.347 -3.660 1.00 0.16 C ATOM 1137 C VAL A 74 4.770 2.474 -2.909 1.00 0.17 C ATOM 1138 O VAL A 74 4.844 2.557 -1.682 1.00 0.24 O ATOM 1139 CB VAL A 74 4.487 0.166 -3.819 1.00 0.18 C ATOM 1140 CG1 VAL A 74 3.866 -0.208 -2.481 1.00 0.26 C ATOM 1141 CG2 VAL A 74 3.407 0.498 -4.833 1.00 0.14 C ATOM 0 H VAL A 74 6.633 0.980 -1.955 1.00 0.20 H new ATOM 0 HA VAL A 74 5.770 1.697 -4.648 1.00 0.16 H new ATOM 0 HB VAL A 74 5.049 -0.693 -4.185 1.00 0.18 H new ATOM 0 HG11 VAL A 74 3.177 -1.041 -2.620 1.00 0.26 H new ATOM 0 HG12 VAL A 74 4.652 -0.499 -1.784 1.00 0.26 H new ATOM 0 HG13 VAL A 74 3.323 0.648 -2.080 1.00 0.26 H new ATOM 0 HG21 VAL A 74 2.726 -0.347 -4.929 1.00 0.14 H new ATOM 0 HG22 VAL A 74 2.852 1.375 -4.500 1.00 0.14 H new ATOM 0 HG23 VAL A 74 3.867 0.705 -5.799 1.00 0.14 H new ATOM 1151 N THR A 75 4.098 3.340 -3.652 1.00 0.12 N ATOM 1152 CA THR A 75 3.370 4.452 -3.059 1.00 0.12 C ATOM 1153 C THR A 75 1.925 4.454 -3.538 1.00 0.11 C ATOM 1154 O THR A 75 1.655 4.308 -4.733 1.00 0.11 O ATOM 1155 CB THR A 75 4.021 5.805 -3.400 1.00 0.16 C ATOM 1156 OG1 THR A 75 4.099 5.970 -4.820 1.00 0.18 O ATOM 1157 CG2 THR A 75 5.413 5.899 -2.794 1.00 0.18 C ATOM 0 H THR A 75 4.042 3.294 -4.669 1.00 0.12 H new ATOM 0 HA THR A 75 3.400 4.319 -1.978 1.00 0.12 H new ATOM 0 HB THR A 75 3.403 6.598 -2.980 1.00 0.16 H new ATOM 0 HG1 THR A 75 3.444 5.384 -5.254 1.00 0.18 H new ATOM 0 HG21 THR A 75 5.856 6.863 -3.047 1.00 0.18 H new ATOM 0 HG22 THR A 75 5.345 5.804 -1.710 1.00 0.18 H new ATOM 0 HG23 THR A 75 6.037 5.098 -3.190 1.00 0.18 H new ATOM 1165 N LEU A 76 1.000 4.617 -2.596 1.00 0.12 N ATOM 1166 CA LEU A 76 -0.423 4.627 -2.909 1.00 0.14 C ATOM 1167 C LEU A 76 -1.024 6.002 -2.627 1.00 0.14 C ATOM 1168 O LEU A 76 -1.106 6.430 -1.478 1.00 0.18 O ATOM 1169 CB LEU A 76 -1.145 3.550 -2.091 1.00 0.18 C ATOM 1170 CG LEU A 76 -0.341 2.264 -1.846 1.00 0.16 C ATOM 1171 CD1 LEU A 76 -1.141 1.276 -1.015 1.00 0.21 C ATOM 1172 CD2 LEU A 76 0.071 1.622 -3.160 1.00 0.16 C ATOM 0 H LEU A 76 1.213 4.744 -1.607 1.00 0.12 H new ATOM 0 HA LEU A 76 -0.550 4.410 -3.970 1.00 0.14 H new ATOM 0 HB2 LEU A 76 -1.423 3.975 -1.126 1.00 0.18 H new ATOM 0 HB3 LEU A 76 -2.071 3.288 -2.603 1.00 0.18 H new ATOM 0 HG LEU A 76 0.559 2.537 -1.295 1.00 0.16 H new ATOM 0 HD11 LEU A 76 -0.551 0.374 -0.855 1.00 0.21 H new ATOM 0 HD12 LEU A 76 -1.386 1.725 -0.052 1.00 0.21 H new ATOM 0 HD13 LEU A 76 -2.061 1.019 -1.541 1.00 0.21 H new ATOM 0 HD21 LEU A 76 0.639 0.714 -2.959 1.00 0.16 H new ATOM 0 HD22 LEU A 76 -0.819 1.373 -3.738 1.00 0.16 H new ATOM 0 HD23 LEU A 76 0.689 2.318 -3.727 1.00 0.16 H new ATOM 1184 N SER A 77 -1.443 6.689 -3.686 1.00 0.20 N ATOM 1185 CA SER A 77 -2.029 8.021 -3.556 1.00 0.23 C ATOM 1186 C SER A 77 -3.428 8.075 -4.171 1.00 0.23 C ATOM 1187 O SER A 77 -3.569 8.185 -5.389 1.00 0.19 O ATOM 1188 CB SER A 77 -1.130 9.060 -4.228 1.00 0.26 C ATOM 1189 OG SER A 77 -1.718 10.347 -4.186 1.00 0.29 O ATOM 0 H SER A 77 -1.388 6.346 -4.645 1.00 0.20 H new ATOM 0 HA SER A 77 -2.114 8.246 -2.493 1.00 0.23 H new ATOM 0 HB2 SER A 77 -0.161 9.083 -3.730 1.00 0.26 H new ATOM 0 HB3 SER A 77 -0.949 8.773 -5.264 1.00 0.26 H new ATOM 0 HG SER A 77 -1.816 10.632 -3.253 1.00 0.29 H new ATOM 1195 N PRO A 78 -4.486 7.992 -3.337 1.00 0.30 N ATOM 1196 CA PRO A 78 -5.869 8.039 -3.820 1.00 0.33 C ATOM 1197 C PRO A 78 -6.268 9.436 -4.283 1.00 0.34 C ATOM 1198 O PRO A 78 -7.308 9.620 -4.916 1.00 0.41 O ATOM 1199 CB PRO A 78 -6.689 7.626 -2.596 1.00 0.39 C ATOM 1200 CG PRO A 78 -5.847 8.016 -1.430 1.00 0.41 C ATOM 1201 CD PRO A 78 -4.419 7.840 -1.870 1.00 0.37 C ATOM 0 HA PRO A 78 -6.022 7.395 -4.686 1.00 0.33 H new ATOM 0 HB2 PRO A 78 -7.654 8.133 -2.576 1.00 0.39 H new ATOM 0 HB3 PRO A 78 -6.892 6.555 -2.598 1.00 0.39 H new ATOM 0 HG2 PRO A 78 -6.040 9.048 -1.137 1.00 0.41 H new ATOM 0 HG3 PRO A 78 -6.068 7.392 -0.564 1.00 0.41 H new ATOM 0 HD2 PRO A 78 -3.766 8.587 -1.419 1.00 0.37 H new ATOM 0 HD3 PRO A 78 -4.030 6.862 -1.586 1.00 0.37 H new ATOM 1209 N THR A 79 -5.429 10.416 -3.962 1.00 0.34 N ATOM 1210 CA THR A 79 -5.686 11.800 -4.341 1.00 0.37 C ATOM 1211 C THR A 79 -4.511 12.373 -5.126 1.00 0.36 C ATOM 1212 O THR A 79 -3.762 11.635 -5.765 1.00 0.32 O ATOM 1213 CB THR A 79 -5.939 12.683 -3.104 1.00 0.44 C ATOM 1214 OG1 THR A 79 -4.693 13.034 -2.494 1.00 0.52 O ATOM 1215 CG2 THR A 79 -6.815 11.963 -2.092 1.00 0.51 C ATOM 0 H THR A 79 -4.564 10.276 -3.440 1.00 0.34 H new ATOM 0 HA THR A 79 -6.579 11.801 -4.966 1.00 0.37 H new ATOM 0 HB THR A 79 -6.455 13.586 -3.430 1.00 0.44 H new ATOM 0 HG1 THR A 79 -4.104 12.251 -2.479 1.00 0.52 H new ATOM 0 HG21 THR A 79 -6.978 12.608 -1.228 1.00 0.51 H new ATOM 0 HG22 THR A 79 -7.774 11.719 -2.549 1.00 0.51 H new ATOM 0 HG23 THR A 79 -6.322 11.045 -1.771 1.00 0.51 H new ATOM 1223 N LYS A 80 -4.356 13.692 -5.074 1.00 0.41 N ATOM 1224 CA LYS A 80 -3.274 14.363 -5.783 1.00 0.43 C ATOM 1225 C LYS A 80 -1.997 14.389 -4.943 1.00 0.43 C ATOM 1226 O LYS A 80 -1.022 13.706 -5.259 1.00 0.47 O ATOM 1227 CB LYS A 80 -3.688 15.792 -6.144 1.00 0.46 C ATOM 1228 CG LYS A 80 -5.134 15.911 -6.601 1.00 0.44 C ATOM 1229 CD LYS A 80 -5.410 15.046 -7.819 1.00 0.43 C ATOM 1230 CE LYS A 80 -6.871 15.111 -8.230 1.00 1.19 C ATOM 1231 NZ LYS A 80 -7.169 14.194 -9.366 1.00 2.08 N ATOM 0 H LYS A 80 -4.967 14.317 -4.548 1.00 0.41 H new ATOM 0 HA LYS A 80 -3.071 13.804 -6.696 1.00 0.43 H new ATOM 0 HB2 LYS A 80 -3.536 16.435 -5.277 1.00 0.46 H new ATOM 0 HB3 LYS A 80 -3.035 16.162 -6.934 1.00 0.46 H new ATOM 0 HG2 LYS A 80 -5.798 15.618 -5.788 1.00 0.44 H new ATOM 0 HG3 LYS A 80 -5.357 16.952 -6.835 1.00 0.44 H new ATOM 0 HD2 LYS A 80 -4.783 15.373 -8.648 1.00 0.43 H new ATOM 0 HD3 LYS A 80 -5.138 14.013 -7.602 1.00 0.43 H new ATOM 0 HE2 LYS A 80 -7.500 14.851 -7.379 1.00 1.19 H new ATOM 0 HE3 LYS A 80 -7.124 16.133 -8.512 1.00 1.19 H new ATOM 0 HZ1 LYS A 80 -8.176 14.268 -9.617 1.00 2.08 H new ATOM 0 HZ2 LYS A 80 -6.588 14.458 -10.187 1.00 2.08 H new ATOM 0 HZ3 LYS A 80 -6.952 13.216 -9.088 1.00 2.08 H new ATOM 1245 N ASP A 81 -2.013 15.180 -3.873 1.00 0.41 N ATOM 1246 CA ASP A 81 -0.854 15.308 -2.995 1.00 0.43 C ATOM 1247 C ASP A 81 -0.884 14.289 -1.858 1.00 0.43 C ATOM 1248 O ASP A 81 0.110 13.614 -1.598 1.00 0.61 O ATOM 1249 CB ASP A 81 -0.786 16.722 -2.419 1.00 0.42 C ATOM 1250 CG ASP A 81 -0.669 17.783 -3.497 1.00 0.44 C ATOM 1251 OD1 ASP A 81 0.470 18.086 -3.911 1.00 0.48 O ATOM 1252 OD2 ASP A 81 -1.717 18.310 -3.929 1.00 0.44 O ATOM 0 H ASP A 81 -2.817 15.742 -3.593 1.00 0.41 H new ATOM 0 HA ASP A 81 0.034 15.111 -3.595 1.00 0.43 H new ATOM 0 HB2 ASP A 81 -1.679 16.911 -1.823 1.00 0.42 H new ATOM 0 HB3 ASP A 81 0.068 16.796 -1.746 1.00 0.42 H new ATOM 1257 N PHE A 82 -2.027 14.184 -1.184 1.00 0.31 N ATOM 1258 CA PHE A 82 -2.179 13.260 -0.057 1.00 0.30 C ATOM 1259 C PHE A 82 -1.639 11.868 -0.381 1.00 0.27 C ATOM 1260 O PHE A 82 -2.030 11.251 -1.373 1.00 0.32 O ATOM 1261 CB PHE A 82 -3.649 13.157 0.357 1.00 0.31 C ATOM 1262 CG PHE A 82 -4.258 14.468 0.766 1.00 0.34 C ATOM 1263 CD1 PHE A 82 -4.799 15.320 -0.181 1.00 0.43 C ATOM 1264 CD2 PHE A 82 -4.284 14.850 2.099 1.00 0.34 C ATOM 1265 CE1 PHE A 82 -5.358 16.529 0.190 1.00 0.47 C ATOM 1266 CE2 PHE A 82 -4.842 16.056 2.476 1.00 0.39 C ATOM 1267 CZ PHE A 82 -5.388 16.893 1.523 1.00 0.44 C ATOM 0 H PHE A 82 -2.864 14.727 -1.397 1.00 0.31 H new ATOM 0 HA PHE A 82 -1.594 13.664 0.769 1.00 0.30 H new ATOM 0 HB2 PHE A 82 -4.222 12.744 -0.473 1.00 0.31 H new ATOM 0 HB3 PHE A 82 -3.735 12.453 1.185 1.00 0.31 H new ATOM 0 HD1 PHE A 82 -4.784 15.037 -1.223 1.00 0.43 H new ATOM 0 HD2 PHE A 82 -3.864 14.198 2.850 1.00 0.34 H new ATOM 0 HE1 PHE A 82 -5.770 17.187 -0.560 1.00 0.47 H new ATOM 0 HE2 PHE A 82 -4.851 16.345 3.517 1.00 0.39 H new ATOM 0 HZ PHE A 82 -5.837 17.830 1.818 1.00 0.44 H new ATOM 1277 N TRP A 83 -0.738 11.383 0.469 1.00 0.22 N ATOM 1278 CA TRP A 83 -0.141 10.061 0.296 1.00 0.20 C ATOM 1279 C TRP A 83 -0.552 9.136 1.438 1.00 0.19 C ATOM 1280 O TRP A 83 -0.890 9.595 2.529 1.00 0.22 O ATOM 1281 CB TRP A 83 1.386 10.163 0.236 1.00 0.21 C ATOM 1282 CG TRP A 83 1.908 10.567 -1.110 1.00 0.22 C ATOM 1283 CD1 TRP A 83 1.879 9.824 -2.255 1.00 0.25 C ATOM 1284 CD2 TRP A 83 2.545 11.804 -1.451 1.00 0.27 C ATOM 1285 NE1 TRP A 83 2.455 10.523 -3.287 1.00 0.31 N ATOM 1286 CE2 TRP A 83 2.871 11.743 -2.820 1.00 0.32 C ATOM 1287 CE3 TRP A 83 2.868 12.960 -0.734 1.00 0.31 C ATOM 1288 CZ2 TRP A 83 3.505 12.790 -3.484 1.00 0.39 C ATOM 1289 CZ3 TRP A 83 3.497 13.999 -1.394 1.00 0.38 C ATOM 1290 CH2 TRP A 83 3.809 13.908 -2.756 1.00 0.41 C ATOM 0 H TRP A 83 -0.403 11.889 1.289 1.00 0.22 H new ATOM 0 HA TRP A 83 -0.503 9.646 -0.644 1.00 0.20 H new ATOM 0 HB2 TRP A 83 1.723 10.886 0.979 1.00 0.21 H new ATOM 0 HB3 TRP A 83 1.817 9.200 0.510 1.00 0.21 H new ATOM 0 HD1 TRP A 83 1.463 8.831 -2.337 1.00 0.25 H new ATOM 0 HE1 TRP A 83 2.557 10.189 -4.245 1.00 0.31 H new ATOM 0 HE3 TRP A 83 2.630 13.040 0.317 1.00 0.31 H new ATOM 0 HZ2 TRP A 83 3.748 12.722 -4.534 1.00 0.39 H new ATOM 0 HZ3 TRP A 83 3.752 14.896 -0.850 1.00 0.38 H new ATOM 0 HH2 TRP A 83 4.300 14.738 -3.242 1.00 0.41 H new ATOM 1301 N LEU A 84 -0.520 7.830 1.181 1.00 0.16 N ATOM 1302 CA LEU A 84 -0.893 6.842 2.190 1.00 0.17 C ATOM 1303 C LEU A 84 0.189 6.706 3.255 1.00 0.17 C ATOM 1304 O LEU A 84 1.314 6.297 2.963 1.00 0.24 O ATOM 1305 CB LEU A 84 -1.147 5.480 1.541 1.00 0.19 C ATOM 1306 CG LEU A 84 -2.573 4.947 1.691 1.00 0.14 C ATOM 1307 CD1 LEU A 84 -3.540 5.752 0.837 1.00 0.22 C ATOM 1308 CD2 LEU A 84 -2.632 3.472 1.324 1.00 0.16 C ATOM 0 H LEU A 84 -0.240 7.432 0.284 1.00 0.16 H new ATOM 0 HA LEU A 84 -1.809 7.189 2.667 1.00 0.17 H new ATOM 0 HB2 LEU A 84 -0.912 5.551 0.479 1.00 0.19 H new ATOM 0 HB3 LEU A 84 -0.457 4.755 1.972 1.00 0.19 H new ATOM 0 HG LEU A 84 -2.871 5.053 2.734 1.00 0.14 H new ATOM 0 HD11 LEU A 84 -4.548 5.357 0.958 1.00 0.22 H new ATOM 0 HD12 LEU A 84 -3.520 6.796 1.150 1.00 0.22 H new ATOM 0 HD13 LEU A 84 -3.246 5.681 -0.210 1.00 0.22 H new ATOM 0 HD21 LEU A 84 -3.654 3.110 1.437 1.00 0.16 H new ATOM 0 HD22 LEU A 84 -2.312 3.341 0.290 1.00 0.16 H new ATOM 0 HD23 LEU A 84 -1.972 2.907 1.982 1.00 0.16 H new ATOM 1320 N HIS A 85 -0.162 7.047 4.491 1.00 0.23 N ATOM 1321 CA HIS A 85 0.774 6.957 5.606 1.00 0.24 C ATOM 1322 C HIS A 85 0.228 6.035 6.692 1.00 0.27 C ATOM 1323 O HIS A 85 -0.934 6.143 7.084 1.00 0.36 O ATOM 1324 CB HIS A 85 1.050 8.345 6.186 1.00 0.24 C ATOM 1325 CG HIS A 85 1.807 9.241 5.255 1.00 0.23 C ATOM 1326 ND1 HIS A 85 1.251 10.356 4.663 1.00 0.29 N ATOM 1327 CD2 HIS A 85 3.088 9.184 4.817 1.00 0.33 C ATOM 1328 CE1 HIS A 85 2.157 10.945 3.901 1.00 0.29 C ATOM 1329 NE2 HIS A 85 3.278 10.253 3.977 1.00 0.30 N ATOM 0 H HIS A 85 -1.089 7.388 4.746 1.00 0.23 H new ATOM 0 HA HIS A 85 1.710 6.540 5.233 1.00 0.24 H new ATOM 0 HB2 HIS A 85 0.102 8.818 6.442 1.00 0.24 H new ATOM 0 HB3 HIS A 85 1.614 8.237 7.113 1.00 0.24 H new ATOM 0 HD1 HIS A 85 0.291 10.676 4.793 1.00 0.29 H new ATOM 0 HD2 HIS A 85 3.822 8.437 5.080 1.00 0.33 H new ATOM 0 HE1 HIS A 85 2.005 11.840 3.316 1.00 0.29 H new ATOM 1338 N ALA A 86 1.073 5.128 7.172 1.00 0.27 N ATOM 1339 CA ALA A 86 0.670 4.182 8.206 1.00 0.31 C ATOM 1340 C ALA A 86 1.196 4.595 9.577 1.00 0.29 C ATOM 1341 O ALA A 86 2.405 4.690 9.787 1.00 0.47 O ATOM 1342 CB ALA A 86 1.158 2.786 7.855 1.00 0.47 C ATOM 0 H ALA A 86 2.040 5.028 6.862 1.00 0.27 H new ATOM 0 HA ALA A 86 -0.419 4.181 8.254 1.00 0.31 H new ATOM 0 HB1 ALA A 86 0.852 2.087 8.633 1.00 0.47 H new ATOM 0 HB2 ALA A 86 0.727 2.479 6.902 1.00 0.47 H new ATOM 0 HB3 ALA A 86 2.245 2.789 7.778 1.00 0.47 H new ATOM 1348 N ASN A 87 0.277 4.838 10.507 1.00 0.33 N ATOM 1349 CA ASN A 87 0.643 5.234 11.863 1.00 0.43 C ATOM 1350 C ASN A 87 0.853 4.007 12.744 1.00 0.46 C ATOM 1351 O ASN A 87 -0.096 3.290 13.062 1.00 0.53 O ATOM 1352 CB ASN A 87 -0.441 6.131 12.466 1.00 0.56 C ATOM 1353 CG ASN A 87 -0.562 7.460 11.748 1.00 1.09 C ATOM 1354 OD1 ASN A 87 -0.271 7.564 10.556 1.00 1.83 O ATOM 1355 ND2 ASN A 87 -0.995 8.486 12.471 1.00 1.83 N ATOM 0 H ASN A 87 -0.728 4.767 10.346 1.00 0.33 H new ATOM 0 HA ASN A 87 1.578 5.792 11.815 1.00 0.43 H new ATOM 0 HB2 ASN A 87 -1.399 5.613 12.428 1.00 0.56 H new ATOM 0 HB3 ASN A 87 -0.217 6.309 13.518 1.00 0.56 H new ATOM 0 HD21 ASN A 87 -1.098 9.405 12.041 1.00 1.83 H new ATOM 0 HD22 ASN A 87 -1.225 8.355 13.456 1.00 1.83 H new ATOM 1362 N ASN A 88 2.102 3.774 13.139 1.00 0.49 N ATOM 1363 CA ASN A 88 2.435 2.632 13.982 1.00 0.56 C ATOM 1364 C ASN A 88 1.933 2.842 15.408 1.00 0.60 C ATOM 1365 O ASN A 88 2.060 1.959 16.258 1.00 0.73 O ATOM 1366 CB ASN A 88 3.949 2.403 13.987 1.00 0.65 C ATOM 1367 CG ASN A 88 4.344 1.148 14.741 1.00 1.56 C ATOM 1368 OD1 ASN A 88 3.598 0.170 14.778 1.00 2.56 O ATOM 1369 ND2 ASN A 88 5.522 1.171 15.353 1.00 1.79 N ATOM 0 H ASN A 88 2.898 4.360 12.889 1.00 0.49 H new ATOM 0 HA ASN A 88 1.942 1.751 13.571 1.00 0.56 H new ATOM 0 HB2 ASN A 88 4.306 2.333 12.960 1.00 0.65 H new ATOM 0 HB3 ASN A 88 4.442 3.264 14.438 1.00 0.65 H new ATOM 0 HD21 ASN A 88 5.839 0.357 15.879 1.00 1.79 H new ATOM 0 HD22 ASN A 88 6.110 2.003 15.297 1.00 1.79 H new ATOM 1376 N LYS A 89 1.360 4.015 15.666 1.00 0.56 N ATOM 1377 CA LYS A 89 0.838 4.337 16.989 1.00 0.63 C ATOM 1378 C LYS A 89 -0.416 3.522 17.294 1.00 0.61 C ATOM 1379 O LYS A 89 -0.478 2.813 18.299 1.00 0.77 O ATOM 1380 CB LYS A 89 0.529 5.831 17.092 1.00 0.72 C ATOM 1381 CG LYS A 89 1.730 6.719 16.804 1.00 1.41 C ATOM 1382 CD LYS A 89 1.432 8.174 17.104 1.00 1.89 C ATOM 1383 CE LYS A 89 2.666 9.038 16.913 1.00 2.63 C ATOM 1384 NZ LYS A 89 3.825 8.534 17.698 1.00 3.20 N ATOM 0 H LYS A 89 1.246 4.757 14.976 1.00 0.56 H new ATOM 0 HA LYS A 89 1.602 4.082 17.724 1.00 0.63 H new ATOM 0 HB2 LYS A 89 -0.271 6.078 16.394 1.00 0.72 H new ATOM 0 HB3 LYS A 89 0.157 6.049 18.093 1.00 0.72 H new ATOM 0 HG2 LYS A 89 2.579 6.390 17.403 1.00 1.41 H new ATOM 0 HG3 LYS A 89 2.018 6.614 15.758 1.00 1.41 H new ATOM 0 HD2 LYS A 89 0.633 8.526 16.451 1.00 1.89 H new ATOM 0 HD3 LYS A 89 1.072 8.271 18.128 1.00 1.89 H new ATOM 0 HE2 LYS A 89 2.929 9.066 15.856 1.00 2.63 H new ATOM 0 HE3 LYS A 89 2.442 10.062 17.213 1.00 2.63 H new ATOM 0 HZ1 LYS A 89 4.391 9.338 18.037 1.00 3.20 H new ATOM 0 HZ2 LYS A 89 3.481 7.985 18.512 1.00 3.20 H new ATOM 0 HZ3 LYS A 89 4.415 7.926 17.095 1.00 3.20 H new ATOM 1398 N GLU A 90 -1.412 3.628 16.419 1.00 0.52 N ATOM 1399 CA GLU A 90 -2.665 2.897 16.593 1.00 0.55 C ATOM 1400 C GLU A 90 -2.847 1.853 15.496 1.00 0.41 C ATOM 1401 O GLU A 90 -3.933 1.296 15.330 1.00 0.42 O ATOM 1402 CB GLU A 90 -3.850 3.865 16.598 1.00 0.72 C ATOM 1403 CG GLU A 90 -3.850 4.821 17.779 1.00 0.91 C ATOM 1404 CD GLU A 90 -5.077 5.713 17.808 1.00 1.03 C ATOM 1405 OE1 GLU A 90 -6.094 5.305 18.408 1.00 1.04 O ATOM 1406 OE2 GLU A 90 -5.020 6.819 17.231 1.00 1.61 O ATOM 0 H GLU A 90 -1.377 4.212 15.583 1.00 0.52 H new ATOM 0 HA GLU A 90 -2.623 2.382 17.553 1.00 0.55 H new ATOM 0 HB2 GLU A 90 -3.840 4.443 15.674 1.00 0.72 H new ATOM 0 HB3 GLU A 90 -4.777 3.291 16.606 1.00 0.72 H new ATOM 0 HG2 GLU A 90 -3.800 4.248 18.705 1.00 0.91 H new ATOM 0 HG3 GLU A 90 -2.955 5.442 17.739 1.00 0.91 H new ATOM 1413 N HIS A 91 -1.775 1.595 14.752 1.00 0.33 N ATOM 1414 CA HIS A 91 -1.800 0.615 13.669 1.00 0.29 C ATOM 1415 C HIS A 91 -2.904 0.931 12.663 1.00 0.29 C ATOM 1416 O HIS A 91 -3.545 0.026 12.126 1.00 0.34 O ATOM 1417 CB HIS A 91 -1.994 -0.797 14.231 1.00 0.38 C ATOM 1418 CG HIS A 91 -0.879 -1.244 15.124 1.00 0.49 C ATOM 1419 ND1 HIS A 91 -1.055 -1.531 16.462 1.00 1.11 N ATOM 1420 CD2 HIS A 91 0.433 -1.462 14.866 1.00 1.24 C ATOM 1421 CE1 HIS A 91 0.097 -1.905 16.986 1.00 0.91 C ATOM 1422 NE2 HIS A 91 1.016 -1.873 16.039 1.00 0.95 N ATOM 0 H HIS A 91 -0.873 2.054 14.880 1.00 0.33 H new ATOM 0 HA HIS A 91 -0.842 0.665 13.152 1.00 0.29 H new ATOM 0 HB2 HIS A 91 -2.931 -0.832 14.787 1.00 0.38 H new ATOM 0 HB3 HIS A 91 -2.089 -1.499 13.403 1.00 0.38 H new ATOM 0 HD2 HIS A 91 0.928 -1.336 13.915 1.00 1.24 H new ATOM 0 HE1 HIS A 91 0.260 -2.189 18.015 1.00 0.91 H new ATOM 0 HE2 HIS A 91 2.000 -2.114 16.159 1.00 0.95 H new ATOM 1431 N SER A 92 -3.122 2.217 12.408 1.00 0.34 N ATOM 1432 CA SER A 92 -4.149 2.645 11.464 1.00 0.44 C ATOM 1433 C SER A 92 -3.525 3.326 10.251 1.00 0.35 C ATOM 1434 O SER A 92 -2.506 4.007 10.367 1.00 0.30 O ATOM 1435 CB SER A 92 -5.135 3.594 12.147 1.00 0.61 C ATOM 1436 OG SER A 92 -5.779 2.961 13.240 1.00 1.33 O ATOM 0 H SER A 92 -2.602 2.980 12.841 1.00 0.34 H new ATOM 0 HA SER A 92 -4.685 1.759 11.123 1.00 0.44 H new ATOM 0 HB2 SER A 92 -4.608 4.482 12.496 1.00 0.61 H new ATOM 0 HB3 SER A 92 -5.881 3.929 11.426 1.00 0.61 H new ATOM 0 HG SER A 92 -6.403 3.589 13.661 1.00 1.33 H new ATOM 1442 N VAL A 93 -4.144 3.137 9.089 1.00 0.38 N ATOM 1443 CA VAL A 93 -3.653 3.733 7.851 1.00 0.33 C ATOM 1444 C VAL A 93 -4.541 4.895 7.419 1.00 0.29 C ATOM 1445 O VAL A 93 -5.763 4.763 7.348 1.00 0.31 O ATOM 1446 CB VAL A 93 -3.592 2.696 6.712 1.00 0.40 C ATOM 1447 CG1 VAL A 93 -3.034 3.322 5.441 1.00 0.84 C ATOM 1448 CG2 VAL A 93 -2.762 1.491 7.129 1.00 1.20 C ATOM 0 H VAL A 93 -4.988 2.575 8.979 1.00 0.38 H new ATOM 0 HA VAL A 93 -2.646 4.099 8.050 1.00 0.33 H new ATOM 0 HB VAL A 93 -4.607 2.357 6.505 1.00 0.40 H new ATOM 0 HG11 VAL A 93 -3.000 2.572 4.651 1.00 0.84 H new ATOM 0 HG12 VAL A 93 -3.674 4.148 5.131 1.00 0.84 H new ATOM 0 HG13 VAL A 93 -2.028 3.695 5.631 1.00 0.84 H new ATOM 0 HG21 VAL A 93 -2.731 0.770 6.312 1.00 1.20 H new ATOM 0 HG22 VAL A 93 -1.748 1.813 7.368 1.00 1.20 H new ATOM 0 HG23 VAL A 93 -3.211 1.026 8.006 1.00 1.20 H new ATOM 1458 N GLU A 94 -3.915 6.030 7.130 1.00 0.30 N ATOM 1459 CA GLU A 94 -4.646 7.218 6.706 1.00 0.31 C ATOM 1460 C GLU A 94 -3.813 8.041 5.727 1.00 0.27 C ATOM 1461 O GLU A 94 -2.584 8.049 5.797 1.00 0.29 O ATOM 1462 CB GLU A 94 -5.036 8.070 7.916 1.00 0.39 C ATOM 1463 CG GLU A 94 -3.873 8.404 8.840 1.00 0.67 C ATOM 1464 CD GLU A 94 -3.420 7.217 9.670 1.00 1.47 C ATOM 1465 OE1 GLU A 94 -4.064 6.934 10.702 1.00 1.54 O ATOM 1466 OE2 GLU A 94 -2.421 6.573 9.289 1.00 2.41 O ATOM 0 H GLU A 94 -2.904 6.153 7.182 1.00 0.30 H new ATOM 0 HA GLU A 94 -5.556 6.895 6.201 1.00 0.31 H new ATOM 0 HB2 GLU A 94 -5.485 8.999 7.564 1.00 0.39 H new ATOM 0 HB3 GLU A 94 -5.800 7.543 8.487 1.00 0.39 H new ATOM 0 HG2 GLU A 94 -3.035 8.766 8.245 1.00 0.67 H new ATOM 0 HG3 GLU A 94 -4.166 9.216 9.506 1.00 0.67 H new ATOM 1473 N LEU A 95 -4.492 8.735 4.820 1.00 0.31 N ATOM 1474 CA LEU A 95 -3.816 9.556 3.821 1.00 0.32 C ATOM 1475 C LEU A 95 -3.648 10.991 4.312 1.00 0.29 C ATOM 1476 O LEU A 95 -4.586 11.592 4.839 1.00 0.37 O ATOM 1477 CB LEU A 95 -4.594 9.537 2.501 1.00 0.44 C ATOM 1478 CG LEU A 95 -6.101 9.781 2.626 1.00 0.50 C ATOM 1479 CD1 LEU A 95 -6.594 10.657 1.485 1.00 1.11 C ATOM 1480 CD2 LEU A 95 -6.855 8.458 2.640 1.00 0.62 C ATOM 0 H LEU A 95 -5.510 8.746 4.756 1.00 0.31 H new ATOM 0 HA LEU A 95 -2.824 9.135 3.654 1.00 0.32 H new ATOM 0 HB2 LEU A 95 -4.174 10.295 1.840 1.00 0.44 H new ATOM 0 HB3 LEU A 95 -4.438 8.571 2.020 1.00 0.44 H new ATOM 0 HG LEU A 95 -6.289 10.298 3.567 1.00 0.50 H new ATOM 0 HD11 LEU A 95 -7.667 10.820 1.589 1.00 1.11 H new ATOM 0 HD12 LEU A 95 -6.076 11.616 1.513 1.00 1.11 H new ATOM 0 HD13 LEU A 95 -6.393 10.163 0.534 1.00 1.11 H new ATOM 0 HD21 LEU A 95 -7.924 8.650 2.729 1.00 0.62 H new ATOM 0 HD22 LEU A 95 -6.659 7.918 1.714 1.00 0.62 H new ATOM 0 HD23 LEU A 95 -6.522 7.858 3.487 1.00 0.62 H new ATOM 1492 N HIS A 96 -2.445 11.532 4.135 1.00 0.25 N ATOM 1493 CA HIS A 96 -2.149 12.898 4.557 1.00 0.30 C ATOM 1494 C HIS A 96 -1.194 13.578 3.582 1.00 0.25 C ATOM 1495 O HIS A 96 -0.345 12.930 2.972 1.00 0.22 O ATOM 1496 CB HIS A 96 -1.543 12.905 5.962 1.00 0.39 C ATOM 1497 CG HIS A 96 -2.557 12.732 7.051 1.00 0.73 C ATOM 1498 ND1 HIS A 96 -3.265 13.784 7.592 1.00 1.24 N ATOM 1499 CD2 HIS A 96 -2.983 11.621 7.698 1.00 1.11 C ATOM 1500 CE1 HIS A 96 -4.081 13.328 8.527 1.00 1.64 C ATOM 1501 NE2 HIS A 96 -3.929 12.020 8.609 1.00 1.57 N ATOM 0 H HIS A 96 -1.660 11.045 3.702 1.00 0.25 H new ATOM 0 HA HIS A 96 -3.087 13.453 4.569 1.00 0.30 H new ATOM 0 HB2 HIS A 96 -0.804 12.107 6.034 1.00 0.39 H new ATOM 0 HB3 HIS A 96 -1.013 13.845 6.116 1.00 0.39 H new ATOM 0 HD2 HIS A 96 -2.642 10.610 7.529 1.00 1.11 H new ATOM 0 HE1 HIS A 96 -4.757 13.924 9.122 1.00 1.64 H new ATOM 0 HE2 HIS A 96 -4.433 11.404 9.247 1.00 1.57 H new ATOM 1510 N LYS A 97 -1.341 14.893 3.445 1.00 0.32 N ATOM 1511 CA LYS A 97 -0.496 15.672 2.546 1.00 0.32 C ATOM 1512 C LYS A 97 0.688 16.273 3.297 1.00 0.34 C ATOM 1513 O LYS A 97 0.515 16.917 4.333 1.00 0.50 O ATOM 1514 CB LYS A 97 -1.318 16.782 1.884 1.00 0.39 C ATOM 1515 CG LYS A 97 -0.490 17.731 1.035 1.00 0.42 C ATOM 1516 CD LYS A 97 -1.357 18.803 0.393 1.00 0.53 C ATOM 1517 CE LYS A 97 -0.515 19.821 -0.358 1.00 1.29 C ATOM 1518 NZ LYS A 97 -1.353 20.876 -0.993 1.00 2.10 N ATOM 0 H LYS A 97 -2.039 15.442 3.947 1.00 0.32 H new ATOM 0 HA LYS A 97 -0.109 15.005 1.775 1.00 0.32 H new ATOM 0 HB2 LYS A 97 -2.088 16.329 1.260 1.00 0.39 H new ATOM 0 HB3 LYS A 97 -1.830 17.354 2.658 1.00 0.39 H new ATOM 0 HG2 LYS A 97 0.274 18.202 1.653 1.00 0.42 H new ATOM 0 HG3 LYS A 97 0.029 17.168 0.259 1.00 0.42 H new ATOM 0 HD2 LYS A 97 -2.065 18.338 -0.293 1.00 0.53 H new ATOM 0 HD3 LYS A 97 -1.942 19.308 1.161 1.00 0.53 H new ATOM 0 HE2 LYS A 97 0.193 20.285 0.329 1.00 1.29 H new ATOM 0 HE3 LYS A 97 0.071 19.313 -1.124 1.00 1.29 H new ATOM 0 HZ1 LYS A 97 -0.741 21.550 -1.495 1.00 2.10 H new ATOM 0 HZ2 LYS A 97 -2.011 20.437 -1.668 1.00 2.10 H new ATOM 0 HZ3 LYS A 97 -1.893 21.378 -0.260 1.00 2.10 H new ATOM 1532 N CYS A 98 1.889 16.060 2.769 1.00 0.37 N ATOM 1533 CA CYS A 98 3.102 16.581 3.391 1.00 0.43 C ATOM 1534 C CYS A 98 4.020 17.219 2.353 1.00 0.40 C ATOM 1535 O CYS A 98 3.693 17.268 1.168 1.00 0.37 O ATOM 1536 CB CYS A 98 3.843 15.464 4.129 1.00 0.49 C ATOM 1537 SG CYS A 98 2.875 14.678 5.437 1.00 1.10 S ATOM 0 H CYS A 98 2.049 15.530 1.912 1.00 0.37 H new ATOM 0 HA CYS A 98 2.810 17.349 4.108 1.00 0.43 H new ATOM 0 HB2 CYS A 98 4.145 14.704 3.408 1.00 0.49 H new ATOM 0 HB3 CYS A 98 4.756 15.872 4.562 1.00 0.49 H new ATOM 0 HG CYS A 98 3.584 13.746 6.001 1.00 1.10 H new ATOM 1543 N GLU A 99 5.171 17.708 2.807 1.00 0.46 N ATOM 1544 CA GLU A 99 6.136 18.346 1.918 1.00 0.47 C ATOM 1545 C GLU A 99 6.583 17.385 0.818 1.00 0.42 C ATOM 1546 O GLU A 99 6.225 16.207 0.827 1.00 0.38 O ATOM 1547 CB GLU A 99 7.353 18.831 2.709 1.00 0.53 C ATOM 1548 CG GLU A 99 7.005 19.796 3.832 1.00 1.09 C ATOM 1549 CD GLU A 99 6.371 21.077 3.328 1.00 1.85 C ATOM 1550 OE1 GLU A 99 7.122 22.024 3.008 1.00 2.07 O ATOM 1551 OE2 GLU A 99 5.126 21.135 3.255 1.00 2.55 O ATOM 0 H GLU A 99 5.458 17.674 3.785 1.00 0.46 H new ATOM 0 HA GLU A 99 5.648 19.203 1.454 1.00 0.47 H new ATOM 0 HB2 GLU A 99 7.870 17.968 3.130 1.00 0.53 H new ATOM 0 HB3 GLU A 99 8.049 19.318 2.026 1.00 0.53 H new ATOM 0 HG2 GLU A 99 6.323 19.307 4.527 1.00 1.09 H new ATOM 0 HG3 GLU A 99 7.909 20.038 4.390 1.00 1.09 H new ATOM 1558 N LYS A 100 7.366 17.893 -0.128 1.00 0.45 N ATOM 1559 CA LYS A 100 7.858 17.078 -1.233 1.00 0.46 C ATOM 1560 C LYS A 100 8.655 15.868 -0.731 1.00 0.45 C ATOM 1561 O LYS A 100 8.382 14.739 -1.142 1.00 0.45 O ATOM 1562 CB LYS A 100 8.705 17.925 -2.192 1.00 0.52 C ATOM 1563 CG LYS A 100 9.394 17.120 -3.289 1.00 0.56 C ATOM 1564 CD LYS A 100 8.414 16.231 -4.040 1.00 0.60 C ATOM 1565 CE LYS A 100 9.078 15.535 -5.218 1.00 0.96 C ATOM 1566 NZ LYS A 100 9.573 16.507 -6.232 1.00 1.77 N ATOM 0 H LYS A 100 7.674 18.865 -0.152 1.00 0.45 H new ATOM 0 HA LYS A 100 6.992 16.699 -1.775 1.00 0.46 H new ATOM 0 HB2 LYS A 100 8.067 18.678 -2.655 1.00 0.52 H new ATOM 0 HB3 LYS A 100 9.462 18.458 -1.617 1.00 0.52 H new ATOM 0 HG2 LYS A 100 9.877 17.801 -3.990 1.00 0.56 H new ATOM 0 HG3 LYS A 100 10.179 16.505 -2.849 1.00 0.56 H new ATOM 0 HD2 LYS A 100 8.004 15.485 -3.360 1.00 0.60 H new ATOM 0 HD3 LYS A 100 7.577 16.831 -4.396 1.00 0.60 H new ATOM 0 HE2 LYS A 100 9.910 14.929 -4.859 1.00 0.96 H new ATOM 0 HE3 LYS A 100 8.366 14.854 -5.685 1.00 0.96 H new ATOM 0 HZ1 LYS A 100 9.735 16.015 -7.134 1.00 1.77 H new ATOM 0 HZ2 LYS A 100 8.865 17.257 -6.369 1.00 1.77 H new ATOM 0 HZ3 LYS A 100 10.465 16.929 -5.902 1.00 1.77 H new ATOM 1580 N PRO A 101 9.653 16.072 0.160 1.00 0.46 N ATOM 1581 CA PRO A 101 10.464 14.969 0.694 1.00 0.48 C ATOM 1582 C PRO A 101 9.604 13.867 1.307 1.00 0.42 C ATOM 1583 O PRO A 101 9.206 13.949 2.468 1.00 0.45 O ATOM 1584 CB PRO A 101 11.336 15.631 1.771 1.00 0.55 C ATOM 1585 CG PRO A 101 10.724 16.970 2.013 1.00 0.64 C ATOM 1586 CD PRO A 101 10.076 17.365 0.718 1.00 0.48 C ATOM 0 HA PRO A 101 11.044 14.482 -0.090 1.00 0.48 H new ATOM 0 HB2 PRO A 101 11.351 15.036 2.684 1.00 0.55 H new ATOM 0 HB3 PRO A 101 12.369 15.726 1.436 1.00 0.55 H new ATOM 0 HG2 PRO A 101 9.991 16.925 2.819 1.00 0.64 H new ATOM 0 HG3 PRO A 101 11.480 17.697 2.310 1.00 0.64 H new ATOM 0 HD2 PRO A 101 9.230 18.034 0.876 1.00 0.48 H new ATOM 0 HD3 PRO A 101 10.772 17.882 0.058 1.00 0.48 H new ATOM 1594 N LEU A 102 9.322 12.840 0.511 1.00 0.40 N ATOM 1595 CA LEU A 102 8.509 11.716 0.965 1.00 0.36 C ATOM 1596 C LEU A 102 9.163 11.002 2.149 1.00 0.37 C ATOM 1597 O LEU A 102 10.362 10.724 2.125 1.00 0.45 O ATOM 1598 CB LEU A 102 8.294 10.728 -0.183 1.00 0.38 C ATOM 1599 CG LEU A 102 7.558 11.293 -1.399 1.00 0.41 C ATOM 1600 CD1 LEU A 102 7.574 10.292 -2.544 1.00 0.50 C ATOM 1601 CD2 LEU A 102 6.127 11.661 -1.030 1.00 0.45 C ATOM 0 H LEU A 102 9.645 12.763 -0.453 1.00 0.40 H new ATOM 0 HA LEU A 102 7.546 12.107 1.293 1.00 0.36 H new ATOM 0 HB2 LEU A 102 9.266 10.355 -0.507 1.00 0.38 H new ATOM 0 HB3 LEU A 102 7.734 9.872 0.195 1.00 0.38 H new ATOM 0 HG LEU A 102 8.073 12.196 -1.726 1.00 0.41 H new ATOM 0 HD11 LEU A 102 7.046 10.711 -3.401 1.00 0.50 H new ATOM 0 HD12 LEU A 102 8.605 10.076 -2.824 1.00 0.50 H new ATOM 0 HD13 LEU A 102 7.083 9.371 -2.229 1.00 0.50 H new ATOM 0 HD21 LEU A 102 5.617 12.062 -1.906 1.00 0.45 H new ATOM 0 HD22 LEU A 102 5.602 10.773 -0.679 1.00 0.45 H new ATOM 0 HD23 LEU A 102 6.137 12.413 -0.241 1.00 0.45 H new ATOM 1613 N PRO A 103 8.383 10.692 3.203 1.00 0.37 N ATOM 1614 CA PRO A 103 8.895 10.008 4.393 1.00 0.40 C ATOM 1615 C PRO A 103 8.963 8.494 4.214 1.00 0.35 C ATOM 1616 O PRO A 103 8.344 7.936 3.309 1.00 0.30 O ATOM 1617 CB PRO A 103 7.863 10.373 5.454 1.00 0.47 C ATOM 1618 CG PRO A 103 6.583 10.472 4.700 1.00 0.46 C ATOM 1619 CD PRO A 103 6.939 10.986 3.327 1.00 0.42 C ATOM 0 HA PRO A 103 9.915 10.305 4.636 1.00 0.40 H new ATOM 0 HB2 PRO A 103 7.808 9.614 6.234 1.00 0.47 H new ATOM 0 HB3 PRO A 103 8.111 11.315 5.943 1.00 0.47 H new ATOM 0 HG2 PRO A 103 6.093 9.500 4.636 1.00 0.46 H new ATOM 0 HG3 PRO A 103 5.888 11.147 5.200 1.00 0.46 H new ATOM 0 HD2 PRO A 103 6.361 10.485 2.550 1.00 0.42 H new ATOM 0 HD3 PRO A 103 6.739 12.054 3.235 1.00 0.42 H new ATOM 1627 N ASP A 104 9.717 7.841 5.092 1.00 0.40 N ATOM 1628 CA ASP A 104 9.877 6.391 5.043 1.00 0.41 C ATOM 1629 C ASP A 104 8.548 5.680 5.287 1.00 0.41 C ATOM 1630 O ASP A 104 8.391 4.508 4.944 1.00 0.54 O ATOM 1631 CB ASP A 104 10.907 5.939 6.079 1.00 0.52 C ATOM 1632 CG ASP A 104 10.662 6.557 7.442 1.00 1.05 C ATOM 1633 OD1 ASP A 104 9.622 6.245 8.059 1.00 1.57 O ATOM 1634 OD2 ASP A 104 11.512 7.353 7.894 1.00 1.45 O ATOM 0 H ASP A 104 10.229 8.294 5.849 1.00 0.40 H new ATOM 0 HA ASP A 104 10.228 6.125 4.046 1.00 0.41 H new ATOM 0 HB2 ASP A 104 10.880 4.853 6.165 1.00 0.52 H new ATOM 0 HB3 ASP A 104 11.906 6.207 5.735 1.00 0.52 H new ATOM 1639 N GLN A 105 7.598 6.392 5.886 1.00 0.36 N ATOM 1640 CA GLN A 105 6.285 5.825 6.171 1.00 0.39 C ATOM 1641 C GLN A 105 5.370 5.941 4.956 1.00 0.34 C ATOM 1642 O GLN A 105 4.184 5.617 5.027 1.00 0.42 O ATOM 1643 CB GLN A 105 5.647 6.525 7.373 1.00 0.48 C ATOM 1644 CG GLN A 105 6.346 6.232 8.690 1.00 0.67 C ATOM 1645 CD GLN A 105 5.673 6.910 9.867 1.00 0.83 C ATOM 1646 OE1 GLN A 105 6.014 8.037 10.227 1.00 1.41 O ATOM 1647 NE2 GLN A 105 4.710 6.224 10.472 1.00 1.65 N ATOM 0 H GLN A 105 7.713 7.361 6.183 1.00 0.36 H new ATOM 0 HA GLN A 105 6.418 4.769 6.407 1.00 0.39 H new ATOM 0 HB2 GLN A 105 5.652 7.601 7.201 1.00 0.48 H new ATOM 0 HB3 GLN A 105 4.604 6.219 7.449 1.00 0.48 H new ATOM 0 HG2 GLN A 105 6.364 5.155 8.857 1.00 0.67 H new ATOM 0 HG3 GLN A 105 7.383 6.562 8.629 1.00 0.67 H new ATOM 0 HE21 GLN A 105 4.461 5.293 10.139 1.00 1.65 H new ATOM 0 HE22 GLN A 105 4.220 6.629 11.270 1.00 1.65 H new ATOM 1656 N ALA A 106 5.930 6.405 3.844 1.00 0.31 N ATOM 1657 CA ALA A 106 5.168 6.564 2.613 1.00 0.30 C ATOM 1658 C ALA A 106 5.532 5.484 1.599 1.00 0.31 C ATOM 1659 O ALA A 106 4.782 5.225 0.657 1.00 0.62 O ATOM 1660 CB ALA A 106 5.404 7.945 2.024 1.00 0.31 C ATOM 0 H ALA A 106 6.910 6.678 3.771 1.00 0.31 H new ATOM 0 HA ALA A 106 4.110 6.458 2.852 1.00 0.30 H new ATOM 0 HB1 ALA A 106 4.829 8.051 1.104 1.00 0.31 H new ATOM 0 HB2 ALA A 106 5.088 8.704 2.739 1.00 0.31 H new ATOM 0 HB3 ALA A 106 6.464 8.071 1.806 1.00 0.31 H new ATOM 1666 N PHE A 107 6.688 4.857 1.799 1.00 0.21 N ATOM 1667 CA PHE A 107 7.154 3.804 0.902 1.00 0.19 C ATOM 1668 C PHE A 107 6.902 2.423 1.503 1.00 0.18 C ATOM 1669 O PHE A 107 7.298 2.147 2.636 1.00 0.24 O ATOM 1670 CB PHE A 107 8.646 3.975 0.608 1.00 0.23 C ATOM 1671 CG PHE A 107 8.983 5.259 -0.093 1.00 0.19 C ATOM 1672 CD1 PHE A 107 8.938 5.342 -1.476 1.00 0.22 C ATOM 1673 CD2 PHE A 107 9.341 6.387 0.629 1.00 0.26 C ATOM 1674 CE1 PHE A 107 9.244 6.524 -2.124 1.00 0.22 C ATOM 1675 CE2 PHE A 107 9.648 7.571 -0.013 1.00 0.27 C ATOM 1676 CZ PHE A 107 9.617 7.635 -1.391 1.00 0.21 C ATOM 0 H PHE A 107 7.319 5.060 2.574 1.00 0.21 H new ATOM 0 HA PHE A 107 6.594 3.885 -0.029 1.00 0.19 H new ATOM 0 HB2 PHE A 107 9.199 3.928 1.546 1.00 0.23 H new ATOM 0 HB3 PHE A 107 8.984 3.139 -0.004 1.00 0.23 H new ATOM 0 HD1 PHE A 107 8.661 4.473 -2.054 1.00 0.22 H new ATOM 0 HD2 PHE A 107 9.380 6.339 1.707 1.00 0.26 H new ATOM 0 HE1 PHE A 107 9.192 6.579 -3.201 1.00 0.22 H new ATOM 0 HE2 PHE A 107 9.912 8.446 0.563 1.00 0.27 H new ATOM 0 HZ PHE A 107 9.884 8.552 -1.896 1.00 0.21 H new ATOM 1686 N PHE A 108 6.241 1.561 0.735 1.00 0.16 N ATOM 1687 CA PHE A 108 5.939 0.207 1.188 1.00 0.17 C ATOM 1688 C PHE A 108 6.591 -0.826 0.274 1.00 0.18 C ATOM 1689 O PHE A 108 6.545 -0.702 -0.947 1.00 0.27 O ATOM 1690 CB PHE A 108 4.426 -0.013 1.225 1.00 0.17 C ATOM 1691 CG PHE A 108 3.713 0.867 2.213 1.00 0.20 C ATOM 1692 CD1 PHE A 108 3.823 0.634 3.575 1.00 0.26 C ATOM 1693 CD2 PHE A 108 2.936 1.928 1.779 1.00 0.27 C ATOM 1694 CE1 PHE A 108 3.168 1.442 4.485 1.00 0.30 C ATOM 1695 CE2 PHE A 108 2.279 2.740 2.685 1.00 0.32 C ATOM 1696 CZ PHE A 108 2.395 2.496 4.039 1.00 0.32 C ATOM 0 H PHE A 108 5.905 1.776 -0.204 1.00 0.16 H new ATOM 0 HA PHE A 108 6.342 0.086 2.193 1.00 0.17 H new ATOM 0 HB2 PHE A 108 4.017 0.166 0.231 1.00 0.17 H new ATOM 0 HB3 PHE A 108 4.225 -1.056 1.469 1.00 0.17 H new ATOM 0 HD1 PHE A 108 4.427 -0.188 3.929 1.00 0.26 H new ATOM 0 HD2 PHE A 108 2.842 2.123 0.721 1.00 0.27 H new ATOM 0 HE1 PHE A 108 3.261 1.249 5.544 1.00 0.30 H new ATOM 0 HE2 PHE A 108 1.676 3.564 2.334 1.00 0.32 H new ATOM 0 HZ PHE A 108 1.882 3.128 4.748 1.00 0.32 H new ATOM 1706 N VAL A 109 7.198 -1.845 0.870 1.00 0.17 N ATOM 1707 CA VAL A 109 7.851 -2.894 0.096 1.00 0.18 C ATOM 1708 C VAL A 109 6.839 -3.948 -0.348 1.00 0.20 C ATOM 1709 O VAL A 109 6.267 -4.662 0.475 1.00 0.22 O ATOM 1710 CB VAL A 109 8.981 -3.569 0.897 1.00 0.21 C ATOM 1711 CG1 VAL A 109 9.650 -4.653 0.070 1.00 0.23 C ATOM 1712 CG2 VAL A 109 10.004 -2.540 1.341 1.00 0.21 C ATOM 0 H VAL A 109 7.252 -1.967 1.881 1.00 0.17 H new ATOM 0 HA VAL A 109 8.288 -2.421 -0.784 1.00 0.18 H new ATOM 0 HB VAL A 109 8.544 -4.031 1.782 1.00 0.21 H new ATOM 0 HG11 VAL A 109 10.445 -5.117 0.654 1.00 0.23 H new ATOM 0 HG12 VAL A 109 8.913 -5.408 -0.205 1.00 0.23 H new ATOM 0 HG13 VAL A 109 10.073 -4.213 -0.833 1.00 0.23 H new ATOM 0 HG21 VAL A 109 10.795 -3.034 1.905 1.00 0.21 H new ATOM 0 HG22 VAL A 109 10.433 -2.052 0.466 1.00 0.21 H new ATOM 0 HG23 VAL A 109 9.520 -1.794 1.971 1.00 0.21 H new ATOM 1722 N LEU A 110 6.627 -4.033 -1.658 1.00 0.24 N ATOM 1723 CA LEU A 110 5.676 -4.987 -2.223 1.00 0.27 C ATOM 1724 C LEU A 110 6.251 -6.401 -2.239 1.00 0.25 C ATOM 1725 O LEU A 110 7.420 -6.605 -2.565 1.00 0.30 O ATOM 1726 CB LEU A 110 5.286 -4.570 -3.643 1.00 0.35 C ATOM 1727 CG LEU A 110 4.267 -5.483 -4.333 1.00 0.48 C ATOM 1728 CD1 LEU A 110 2.906 -5.363 -3.666 1.00 0.89 C ATOM 1729 CD2 LEU A 110 4.170 -5.150 -5.815 1.00 1.01 C ATOM 0 H LEU A 110 7.101 -3.452 -2.350 1.00 0.24 H new ATOM 0 HA LEU A 110 4.789 -4.986 -1.590 1.00 0.27 H new ATOM 0 HB2 LEU A 110 4.880 -3.559 -3.609 1.00 0.35 H new ATOM 0 HB3 LEU A 110 6.188 -4.531 -4.254 1.00 0.35 H new ATOM 0 HG LEU A 110 4.606 -6.514 -4.235 1.00 0.48 H new ATOM 0 HD11 LEU A 110 2.195 -6.018 -4.169 1.00 0.89 H new ATOM 0 HD12 LEU A 110 2.987 -5.652 -2.618 1.00 0.89 H new ATOM 0 HD13 LEU A 110 2.558 -4.332 -3.732 1.00 0.89 H new ATOM 0 HD21 LEU A 110 3.442 -5.808 -6.289 1.00 1.01 H new ATOM 0 HD22 LEU A 110 3.855 -4.114 -5.935 1.00 1.01 H new ATOM 0 HD23 LEU A 110 5.144 -5.289 -6.284 1.00 1.01 H new ATOM 1741 N HIS A 111 5.414 -7.373 -1.886 1.00 0.24 N ATOM 1742 CA HIS A 111 5.828 -8.773 -1.865 1.00 0.26 C ATOM 1743 C HIS A 111 4.751 -9.665 -2.475 1.00 0.25 C ATOM 1744 O HIS A 111 3.573 -9.550 -2.142 1.00 0.26 O ATOM 1745 CB HIS A 111 6.127 -9.221 -0.435 1.00 0.27 C ATOM 1746 CG HIS A 111 7.386 -8.638 0.124 1.00 0.32 C ATOM 1747 ND1 HIS A 111 8.639 -9.134 -0.168 1.00 0.55 N ATOM 1748 CD2 HIS A 111 7.584 -7.595 0.964 1.00 0.26 C ATOM 1749 CE1 HIS A 111 9.551 -8.424 0.469 1.00 0.55 C ATOM 1750 NE2 HIS A 111 8.937 -7.484 1.162 1.00 0.36 N ATOM 0 H HIS A 111 4.444 -7.217 -1.610 1.00 0.24 H new ATOM 0 HA HIS A 111 6.736 -8.866 -2.461 1.00 0.26 H new ATOM 0 HB2 HIS A 111 5.291 -8.942 0.207 1.00 0.27 H new ATOM 0 HB3 HIS A 111 6.198 -10.308 -0.411 1.00 0.27 H new ATOM 0 HD2 HIS A 111 6.819 -6.967 1.397 1.00 0.26 H new ATOM 0 HE1 HIS A 111 10.618 -8.585 0.430 1.00 0.55 H new ATOM 0 HE2 HIS A 111 9.394 -6.787 1.750 1.00 0.36 H new ATOM 1759 N ASN A 112 5.169 -10.554 -3.372 1.00 0.29 N ATOM 1760 CA ASN A 112 4.242 -11.470 -4.032 1.00 0.30 C ATOM 1761 C ASN A 112 3.806 -12.579 -3.082 1.00 0.29 C ATOM 1762 O ASN A 112 4.640 -13.249 -2.469 1.00 0.44 O ATOM 1763 CB ASN A 112 4.890 -12.072 -5.280 1.00 0.46 C ATOM 1764 CG ASN A 112 5.272 -11.019 -6.303 1.00 1.42 C ATOM 1765 OD1 ASN A 112 5.588 -9.882 -5.953 1.00 2.14 O ATOM 1766 ND2 ASN A 112 5.243 -11.394 -7.576 1.00 2.13 N ATOM 0 H ASN A 112 6.142 -10.660 -3.659 1.00 0.29 H new ATOM 0 HA ASN A 112 3.359 -10.905 -4.329 1.00 0.30 H new ATOM 0 HB2 ASN A 112 5.780 -12.631 -4.990 1.00 0.46 H new ATOM 0 HB3 ASN A 112 4.201 -12.783 -5.736 1.00 0.46 H new ATOM 0 HD21 ASN A 112 5.489 -10.729 -8.309 1.00 2.13 H new ATOM 0 HD22 ASN A 112 4.975 -12.347 -7.821 1.00 2.13 H new ATOM 1773 N MET A 113 2.496 -12.769 -2.964 1.00 0.28 N ATOM 1774 CA MET A 113 1.946 -13.797 -2.086 1.00 0.36 C ATOM 1775 C MET A 113 1.440 -14.993 -2.886 1.00 0.40 C ATOM 1776 O MET A 113 1.854 -16.128 -2.650 1.00 0.46 O ATOM 1777 CB MET A 113 0.811 -13.214 -1.241 1.00 0.43 C ATOM 1778 CG MET A 113 1.257 -12.097 -0.313 1.00 0.47 C ATOM 1779 SD MET A 113 2.421 -12.661 0.944 1.00 0.89 S ATOM 1780 CE MET A 113 1.395 -13.809 1.860 1.00 0.58 C ATOM 0 H MET A 113 1.794 -12.224 -3.466 1.00 0.28 H new ATOM 0 HA MET A 113 2.744 -14.142 -1.428 1.00 0.36 H new ATOM 0 HB2 MET A 113 0.033 -12.836 -1.904 1.00 0.43 H new ATOM 0 HB3 MET A 113 0.364 -14.012 -0.648 1.00 0.43 H new ATOM 0 HG2 MET A 113 1.719 -11.304 -0.901 1.00 0.47 H new ATOM 0 HG3 MET A 113 0.383 -11.664 0.174 1.00 0.47 H new ATOM 0 HE1 MET A 113 1.814 -13.957 2.855 1.00 0.58 H new ATOM 0 HE2 MET A 113 0.386 -13.406 1.947 1.00 0.58 H new ATOM 0 HE3 MET A 113 1.360 -14.764 1.335 1.00 0.58 H new ATOM 1790 N HIS A 114 0.542 -14.731 -3.832 1.00 0.45 N ATOM 1791 CA HIS A 114 -0.020 -15.789 -4.666 1.00 0.51 C ATOM 1792 C HIS A 114 0.082 -15.431 -6.145 1.00 0.47 C ATOM 1793 O HIS A 114 0.862 -14.560 -6.530 1.00 0.46 O ATOM 1794 CB HIS A 114 -1.481 -16.046 -4.288 1.00 0.54 C ATOM 1795 CG HIS A 114 -1.661 -16.526 -2.881 1.00 0.67 C ATOM 1796 ND1 HIS A 114 -1.953 -17.835 -2.562 1.00 0.94 N ATOM 1797 CD2 HIS A 114 -1.595 -15.859 -1.703 1.00 1.39 C ATOM 1798 CE1 HIS A 114 -2.057 -17.954 -1.250 1.00 1.40 C ATOM 1799 NE2 HIS A 114 -1.843 -16.770 -0.706 1.00 1.75 N ATOM 0 H HIS A 114 0.189 -13.797 -4.040 1.00 0.45 H new ATOM 0 HA HIS A 114 0.557 -16.697 -4.492 1.00 0.51 H new ATOM 0 HB2 HIS A 114 -2.050 -15.126 -4.425 1.00 0.54 H new ATOM 0 HB3 HIS A 114 -1.900 -16.785 -4.971 1.00 0.54 H new ATOM 0 HD2 HIS A 114 -1.386 -14.807 -1.573 1.00 1.39 H new ATOM 0 HE1 HIS A 114 -2.279 -18.865 -0.714 1.00 1.40 H new ATOM 0 HE2 HIS A 114 -1.859 -16.565 0.293 1.00 1.75 H new ATOM 1808 N SER A 115 -0.712 -16.110 -6.969 1.00 0.49 N ATOM 1809 CA SER A 115 -0.716 -15.871 -8.407 1.00 0.54 C ATOM 1810 C SER A 115 -0.951 -14.398 -8.729 1.00 0.50 C ATOM 1811 O SER A 115 -0.164 -13.777 -9.442 1.00 0.56 O ATOM 1812 CB SER A 115 -1.793 -16.724 -9.082 1.00 0.59 C ATOM 1813 OG SER A 115 -1.791 -16.531 -10.486 1.00 1.50 O ATOM 0 H SER A 115 -1.363 -16.833 -6.662 1.00 0.49 H new ATOM 0 HA SER A 115 0.265 -16.151 -8.791 1.00 0.54 H new ATOM 0 HB2 SER A 115 -1.622 -17.777 -8.856 1.00 0.59 H new ATOM 0 HB3 SER A 115 -2.772 -16.466 -8.678 1.00 0.59 H new ATOM 0 HG SER A 115 -2.358 -15.764 -10.712 1.00 1.50 H new ATOM 1819 N ASN A 116 -2.036 -13.842 -8.197 1.00 0.45 N ATOM 1820 CA ASN A 116 -2.371 -12.444 -8.438 1.00 0.50 C ATOM 1821 C ASN A 116 -2.509 -11.670 -7.130 1.00 0.44 C ATOM 1822 O ASN A 116 -2.818 -10.477 -7.135 1.00 0.66 O ATOM 1823 CB ASN A 116 -3.668 -12.342 -9.244 1.00 0.61 C ATOM 1824 CG ASN A 116 -3.492 -12.808 -10.675 1.00 1.08 C ATOM 1825 OD1 ASN A 116 -3.698 -13.981 -10.989 1.00 1.93 O ATOM 1826 ND2 ASN A 116 -3.102 -11.890 -11.551 1.00 1.68 N ATOM 0 H ASN A 116 -2.696 -14.338 -7.598 1.00 0.45 H new ATOM 0 HA ASN A 116 -1.555 -12.000 -9.009 1.00 0.50 H new ATOM 0 HB2 ASN A 116 -4.441 -12.940 -8.762 1.00 0.61 H new ATOM 0 HB3 ASN A 116 -4.015 -11.309 -9.240 1.00 0.61 H new ATOM 0 HD21 ASN A 116 -2.961 -12.145 -12.529 1.00 1.68 H new ATOM 0 HD22 ASN A 116 -2.943 -10.930 -11.247 1.00 1.68 H new ATOM 1833 N CYS A 117 -2.278 -12.351 -6.014 1.00 0.32 N ATOM 1834 CA CYS A 117 -2.375 -11.718 -4.703 1.00 0.32 C ATOM 1835 C CYS A 117 -1.037 -11.107 -4.295 1.00 0.28 C ATOM 1836 O CYS A 117 0.016 -11.718 -4.479 1.00 0.34 O ATOM 1837 CB CYS A 117 -2.825 -12.735 -3.653 1.00 0.43 C ATOM 1838 SG CYS A 117 -4.385 -13.561 -4.045 1.00 0.97 S ATOM 0 H CYS A 117 -2.023 -13.338 -5.990 1.00 0.32 H new ATOM 0 HA CYS A 117 -3.116 -10.921 -4.766 1.00 0.32 H new ATOM 0 HB2 CYS A 117 -2.047 -13.489 -3.536 1.00 0.43 H new ATOM 0 HB3 CYS A 117 -2.926 -12.229 -2.693 1.00 0.43 H new ATOM 0 HG CYS A 117 -5.120 -13.632 -2.975 1.00 0.97 H new ATOM 1844 N VAL A 118 -1.087 -9.898 -3.743 1.00 0.25 N ATOM 1845 CA VAL A 118 0.122 -9.205 -3.313 1.00 0.27 C ATOM 1846 C VAL A 118 -0.029 -8.664 -1.894 1.00 0.24 C ATOM 1847 O VAL A 118 -1.140 -8.563 -1.373 1.00 0.28 O ATOM 1848 CB VAL A 118 0.469 -8.040 -4.259 1.00 0.37 C ATOM 1849 CG1 VAL A 118 0.797 -8.562 -5.649 1.00 0.46 C ATOM 1850 CG2 VAL A 118 -0.673 -7.036 -4.314 1.00 0.41 C ATOM 0 H VAL A 118 -1.951 -9.379 -3.583 1.00 0.25 H new ATOM 0 HA VAL A 118 0.930 -9.936 -3.337 1.00 0.27 H new ATOM 0 HB VAL A 118 1.350 -7.530 -3.869 1.00 0.37 H new ATOM 0 HG11 VAL A 118 1.040 -7.725 -6.304 1.00 0.46 H new ATOM 0 HG12 VAL A 118 1.651 -9.238 -5.592 1.00 0.46 H new ATOM 0 HG13 VAL A 118 -0.064 -9.098 -6.049 1.00 0.46 H new ATOM 0 HG21 VAL A 118 -0.409 -6.221 -4.987 1.00 0.41 H new ATOM 0 HG22 VAL A 118 -1.574 -7.530 -4.678 1.00 0.41 H new ATOM 0 HG23 VAL A 118 -0.856 -6.638 -3.316 1.00 0.41 H new ATOM 1860 N SER A 119 1.096 -8.314 -1.276 1.00 0.24 N ATOM 1861 CA SER A 119 1.088 -7.783 0.083 1.00 0.23 C ATOM 1862 C SER A 119 1.965 -6.539 0.196 1.00 0.21 C ATOM 1863 O SER A 119 3.042 -6.469 -0.399 1.00 0.30 O ATOM 1864 CB SER A 119 1.564 -8.849 1.072 1.00 0.29 C ATOM 1865 OG SER A 119 2.882 -9.275 0.770 1.00 1.09 O ATOM 0 H SER A 119 2.023 -8.389 -1.694 1.00 0.24 H new ATOM 0 HA SER A 119 0.064 -7.501 0.326 1.00 0.23 H new ATOM 0 HB2 SER A 119 1.531 -8.449 2.086 1.00 0.29 H new ATOM 0 HB3 SER A 119 0.887 -9.703 1.044 1.00 0.29 H new ATOM 0 HG SER A 119 2.920 -10.254 0.781 1.00 1.09 H new ATOM 1871 N PHE A 120 1.492 -5.560 0.961 1.00 0.20 N ATOM 1872 CA PHE A 120 2.225 -4.314 1.163 1.00 0.18 C ATOM 1873 C PHE A 120 2.929 -4.315 2.517 1.00 0.18 C ATOM 1874 O PHE A 120 2.316 -4.019 3.544 1.00 0.27 O ATOM 1875 CB PHE A 120 1.273 -3.121 1.072 1.00 0.21 C ATOM 1876 CG PHE A 120 0.620 -2.977 -0.272 1.00 0.24 C ATOM 1877 CD1 PHE A 120 -0.555 -3.649 -0.561 1.00 0.28 C ATOM 1878 CD2 PHE A 120 1.182 -2.168 -1.248 1.00 0.40 C ATOM 1879 CE1 PHE A 120 -1.160 -3.518 -1.797 1.00 0.32 C ATOM 1880 CE2 PHE A 120 0.583 -2.034 -2.485 1.00 0.45 C ATOM 1881 CZ PHE A 120 -0.583 -2.709 -2.763 1.00 0.35 C ATOM 0 H PHE A 120 0.600 -5.606 1.454 1.00 0.20 H new ATOM 0 HA PHE A 120 2.979 -4.230 0.380 1.00 0.18 H new ATOM 0 HB2 PHE A 120 0.500 -3.224 1.833 1.00 0.21 H new ATOM 0 HB3 PHE A 120 1.824 -2.208 1.299 1.00 0.21 H new ATOM 0 HD1 PHE A 120 -1.005 -4.284 0.188 1.00 0.28 H new ATOM 0 HD2 PHE A 120 2.099 -1.637 -1.038 1.00 0.40 H new ATOM 0 HE1 PHE A 120 -2.079 -4.044 -2.009 1.00 0.32 H new ATOM 0 HE2 PHE A 120 1.030 -1.399 -3.235 1.00 0.45 H new ATOM 0 HZ PHE A 120 -1.048 -2.609 -3.733 1.00 0.35 H new ATOM 1891 N GLU A 121 4.216 -4.649 2.510 1.00 0.19 N ATOM 1892 CA GLU A 121 5.002 -4.692 3.740 1.00 0.19 C ATOM 1893 C GLU A 121 5.540 -3.309 4.096 1.00 0.19 C ATOM 1894 O GLU A 121 5.866 -2.512 3.216 1.00 0.19 O ATOM 1895 CB GLU A 121 6.164 -5.676 3.590 1.00 0.23 C ATOM 1896 CG GLU A 121 6.931 -5.915 4.881 1.00 0.29 C ATOM 1897 CD GLU A 121 8.145 -6.802 4.682 1.00 0.33 C ATOM 1898 OE1 GLU A 121 7.962 -8.023 4.493 1.00 0.45 O ATOM 1899 OE2 GLU A 121 9.277 -6.276 4.715 1.00 0.35 O ATOM 0 H GLU A 121 4.737 -4.894 1.668 1.00 0.19 H new ATOM 0 HA GLU A 121 4.348 -5.025 4.546 1.00 0.19 H new ATOM 0 HB2 GLU A 121 5.778 -6.628 3.225 1.00 0.23 H new ATOM 0 HB3 GLU A 121 6.852 -5.300 2.833 1.00 0.23 H new ATOM 0 HG2 GLU A 121 7.249 -4.957 5.293 1.00 0.29 H new ATOM 0 HG3 GLU A 121 6.267 -6.373 5.614 1.00 0.29 H new ATOM 1906 N CYS A 122 5.631 -3.032 5.394 1.00 0.22 N ATOM 1907 CA CYS A 122 6.134 -1.750 5.870 1.00 0.24 C ATOM 1908 C CYS A 122 7.658 -1.733 5.867 1.00 0.27 C ATOM 1909 O CYS A 122 8.299 -2.568 6.504 1.00 0.26 O ATOM 1910 CB CYS A 122 5.612 -1.466 7.280 1.00 0.27 C ATOM 1911 SG CYS A 122 3.810 -1.376 7.397 1.00 0.31 S ATOM 0 H CYS A 122 5.362 -3.680 6.134 1.00 0.22 H new ATOM 0 HA CYS A 122 5.777 -0.972 5.195 1.00 0.24 H new ATOM 0 HB2 CYS A 122 5.970 -2.246 7.952 1.00 0.27 H new ATOM 0 HB3 CYS A 122 6.035 -0.524 7.630 1.00 0.27 H new ATOM 0 HG CYS A 122 3.307 -2.567 7.266 1.00 0.31 H new ATOM 1917 N LYS A 123 8.231 -0.776 5.144 1.00 0.34 N ATOM 1918 CA LYS A 123 9.681 -0.650 5.047 1.00 0.41 C ATOM 1919 C LYS A 123 10.296 -0.281 6.395 1.00 0.43 C ATOM 1920 O LYS A 123 11.490 -0.483 6.618 1.00 0.48 O ATOM 1921 CB LYS A 123 10.049 0.403 3.999 1.00 0.48 C ATOM 1922 CG LYS A 123 11.542 0.498 3.732 1.00 0.65 C ATOM 1923 CD LYS A 123 11.861 1.614 2.750 1.00 0.67 C ATOM 1924 CE LYS A 123 13.349 1.678 2.448 1.00 0.69 C ATOM 1925 NZ LYS A 123 13.681 2.811 1.540 1.00 1.39 N ATOM 0 H LYS A 123 7.712 -0.075 4.616 1.00 0.34 H new ATOM 0 HA LYS A 123 10.083 -1.617 4.744 1.00 0.41 H new ATOM 0 HB2 LYS A 123 9.535 0.170 3.066 1.00 0.48 H new ATOM 0 HB3 LYS A 123 9.685 1.376 4.330 1.00 0.48 H new ATOM 0 HG2 LYS A 123 12.070 0.674 4.669 1.00 0.65 H new ATOM 0 HG3 LYS A 123 11.903 -0.451 3.336 1.00 0.65 H new ATOM 0 HD2 LYS A 123 11.307 1.456 1.825 1.00 0.67 H new ATOM 0 HD3 LYS A 123 11.530 2.568 3.161 1.00 0.67 H new ATOM 0 HE2 LYS A 123 13.905 1.784 3.380 1.00 0.69 H new ATOM 0 HE3 LYS A 123 13.668 0.741 1.992 1.00 0.69 H new ATOM 0 HZ1 LYS A 123 14.710 2.852 1.398 1.00 1.39 H new ATOM 0 HZ2 LYS A 123 13.211 2.670 0.623 1.00 1.39 H new ATOM 0 HZ3 LYS A 123 13.354 3.703 1.964 1.00 1.39 H new ATOM 1939 N THR A 124 9.477 0.261 7.291 1.00 0.43 N ATOM 1940 CA THR A 124 9.949 0.660 8.611 1.00 0.49 C ATOM 1941 C THR A 124 9.505 -0.329 9.683 1.00 0.44 C ATOM 1942 O THR A 124 10.135 -0.439 10.736 1.00 0.50 O ATOM 1943 CB THR A 124 9.444 2.065 8.986 1.00 0.59 C ATOM 1944 OG1 THR A 124 8.012 2.098 8.958 1.00 1.19 O ATOM 1945 CG2 THR A 124 9.998 3.109 8.028 1.00 0.88 C ATOM 0 H THR A 124 8.485 0.433 7.127 1.00 0.43 H new ATOM 0 HA THR A 124 11.038 0.671 8.564 1.00 0.49 H new ATOM 0 HB THR A 124 9.791 2.295 9.994 1.00 0.59 H new ATOM 0 HG1 THR A 124 7.659 1.625 9.740 1.00 1.19 H new ATOM 0 HG21 THR A 124 9.629 4.095 8.311 1.00 0.88 H new ATOM 0 HG22 THR A 124 11.087 3.103 8.073 1.00 0.88 H new ATOM 0 HG23 THR A 124 9.676 2.879 7.013 1.00 0.88 H new ATOM 1953 N ASP A 125 8.421 -1.050 9.413 1.00 0.39 N ATOM 1954 CA ASP A 125 7.898 -2.026 10.362 1.00 0.42 C ATOM 1955 C ASP A 125 7.864 -3.427 9.753 1.00 0.35 C ATOM 1956 O ASP A 125 6.814 -3.891 9.309 1.00 0.36 O ATOM 1957 CB ASP A 125 6.493 -1.621 10.815 1.00 0.52 C ATOM 1958 CG ASP A 125 6.475 -0.274 11.510 1.00 0.64 C ATOM 1959 OD1 ASP A 125 6.338 0.753 10.813 1.00 0.65 O ATOM 1960 OD2 ASP A 125 6.597 -0.245 12.753 1.00 0.78 O ATOM 0 H ASP A 125 7.889 -0.977 8.546 1.00 0.39 H new ATOM 0 HA ASP A 125 8.564 -2.045 11.225 1.00 0.42 H new ATOM 0 HB2 ASP A 125 5.831 -1.589 9.950 1.00 0.52 H new ATOM 0 HB3 ASP A 125 6.099 -2.380 11.490 1.00 0.52 H new ATOM 1965 N PRO A 126 9.018 -4.124 9.722 1.00 0.43 N ATOM 1966 CA PRO A 126 9.105 -5.481 9.167 1.00 0.46 C ATOM 1967 C PRO A 126 8.106 -6.432 9.820 1.00 0.45 C ATOM 1968 O PRO A 126 7.952 -6.445 11.041 1.00 0.56 O ATOM 1969 CB PRO A 126 10.538 -5.910 9.487 1.00 0.62 C ATOM 1970 CG PRO A 126 11.295 -4.638 9.636 1.00 0.89 C ATOM 1971 CD PRO A 126 10.325 -3.645 10.211 1.00 0.60 C ATOM 0 HA PRO A 126 8.871 -5.502 8.103 1.00 0.46 H new ATOM 0 HB2 PRO A 126 10.578 -6.503 10.401 1.00 0.62 H new ATOM 0 HB3 PRO A 126 10.953 -6.526 8.689 1.00 0.62 H new ATOM 0 HG2 PRO A 126 12.154 -4.770 10.293 1.00 0.89 H new ATOM 0 HG3 PRO A 126 11.679 -4.297 8.674 1.00 0.89 H new ATOM 0 HD2 PRO A 126 10.365 -3.628 11.300 1.00 0.60 H new ATOM 0 HD3 PRO A 126 10.536 -2.632 9.868 1.00 0.60 H new ATOM 1979 N GLY A 127 7.432 -7.228 8.996 1.00 0.40 N ATOM 1980 CA GLY A 127 6.451 -8.166 9.508 1.00 0.43 C ATOM 1981 C GLY A 127 5.050 -7.590 9.504 1.00 0.44 C ATOM 1982 O GLY A 127 4.075 -8.304 9.738 1.00 0.65 O ATOM 0 H GLY A 127 7.548 -7.240 7.983 1.00 0.40 H new ATOM 0 HA2 GLY A 127 6.470 -9.074 8.905 1.00 0.43 H new ATOM 0 HA3 GLY A 127 6.721 -8.452 10.524 1.00 0.43 H new ATOM 1986 N VAL A 128 4.952 -6.290 9.234 1.00 0.28 N ATOM 1987 CA VAL A 128 3.664 -5.610 9.195 1.00 0.32 C ATOM 1988 C VAL A 128 3.213 -5.391 7.753 1.00 0.21 C ATOM 1989 O VAL A 128 3.982 -4.908 6.920 1.00 0.16 O ATOM 1990 CB VAL A 128 3.723 -4.252 9.922 1.00 0.42 C ATOM 1991 CG1 VAL A 128 2.349 -3.599 9.950 1.00 0.93 C ATOM 1992 CG2 VAL A 128 4.266 -4.428 11.333 1.00 1.27 C ATOM 0 H VAL A 128 5.752 -5.688 9.039 1.00 0.28 H new ATOM 0 HA VAL A 128 2.945 -6.250 9.707 1.00 0.32 H new ATOM 0 HB VAL A 128 4.399 -3.596 9.374 1.00 0.42 H new ATOM 0 HG11 VAL A 128 2.412 -2.642 10.467 1.00 0.93 H new ATOM 0 HG12 VAL A 128 2.002 -3.438 8.929 1.00 0.93 H new ATOM 0 HG13 VAL A 128 1.648 -4.249 10.473 1.00 0.93 H new ATOM 0 HG21 VAL A 128 4.301 -3.460 11.833 1.00 1.27 H new ATOM 0 HG22 VAL A 128 3.616 -5.101 11.892 1.00 1.27 H new ATOM 0 HG23 VAL A 128 5.270 -4.849 11.286 1.00 1.27 H new ATOM 2002 N PHE A 129 1.965 -5.748 7.466 1.00 0.23 N ATOM 2003 CA PHE A 129 1.417 -5.601 6.121 1.00 0.19 C ATOM 2004 C PHE A 129 0.068 -4.889 6.153 1.00 0.16 C ATOM 2005 O PHE A 129 -0.728 -5.087 7.074 1.00 0.18 O ATOM 2006 CB PHE A 129 1.246 -6.975 5.466 1.00 0.29 C ATOM 2007 CG PHE A 129 2.502 -7.802 5.436 1.00 0.26 C ATOM 2008 CD1 PHE A 129 2.901 -8.520 6.552 1.00 0.49 C ATOM 2009 CD2 PHE A 129 3.276 -7.867 4.290 1.00 0.30 C ATOM 2010 CE1 PHE A 129 4.051 -9.284 6.525 1.00 0.58 C ATOM 2011 CE2 PHE A 129 4.426 -8.630 4.257 1.00 0.38 C ATOM 2012 CZ PHE A 129 4.815 -9.340 5.376 1.00 0.46 C ATOM 0 H PHE A 129 1.314 -6.141 8.146 1.00 0.23 H new ATOM 0 HA PHE A 129 2.118 -5.001 5.540 1.00 0.19 H new ATOM 0 HB2 PHE A 129 0.473 -7.527 6.001 1.00 0.29 H new ATOM 0 HB3 PHE A 129 0.890 -6.837 4.445 1.00 0.29 H new ATOM 0 HD1 PHE A 129 2.306 -8.482 7.453 1.00 0.49 H new ATOM 0 HD2 PHE A 129 2.977 -7.314 3.412 1.00 0.30 H new ATOM 0 HE1 PHE A 129 4.353 -9.837 7.402 1.00 0.58 H new ATOM 0 HE2 PHE A 129 5.021 -8.672 3.357 1.00 0.38 H new ATOM 0 HZ PHE A 129 5.714 -9.937 5.352 1.00 0.46 H new ATOM 2022 N ILE A 130 -0.185 -4.058 5.144 1.00 0.16 N ATOM 2023 CA ILE A 130 -1.450 -3.337 5.053 1.00 0.16 C ATOM 2024 C ILE A 130 -2.570 -4.302 4.684 1.00 0.18 C ATOM 2025 O ILE A 130 -2.451 -5.054 3.716 1.00 0.26 O ATOM 2026 CB ILE A 130 -1.393 -2.210 4.001 1.00 0.19 C ATOM 2027 CG1 ILE A 130 -0.135 -1.359 4.188 1.00 0.21 C ATOM 2028 CG2 ILE A 130 -2.643 -1.343 4.091 1.00 0.25 C ATOM 2029 CD1 ILE A 130 0.042 -0.295 3.124 1.00 0.25 C ATOM 0 H ILE A 130 0.466 -3.869 4.382 1.00 0.16 H new ATOM 0 HA ILE A 130 -1.641 -2.888 6.028 1.00 0.16 H new ATOM 0 HB ILE A 130 -1.353 -2.663 3.010 1.00 0.19 H new ATOM 0 HG12 ILE A 130 -0.173 -0.880 5.166 1.00 0.21 H new ATOM 0 HG13 ILE A 130 0.738 -2.011 4.186 1.00 0.21 H new ATOM 0 HG21 ILE A 130 -2.591 -0.551 3.344 1.00 0.25 H new ATOM 0 HG22 ILE A 130 -3.525 -1.957 3.909 1.00 0.25 H new ATOM 0 HG23 ILE A 130 -2.708 -0.900 5.085 1.00 0.25 H new ATOM 0 HD11 ILE A 130 0.954 0.269 3.321 1.00 0.25 H new ATOM 0 HD12 ILE A 130 0.112 -0.768 2.145 1.00 0.25 H new ATOM 0 HD13 ILE A 130 -0.813 0.381 3.140 1.00 0.25 H new ATOM 2041 N GLY A 131 -3.655 -4.288 5.453 1.00 0.19 N ATOM 2042 CA GLY A 131 -4.760 -5.185 5.170 1.00 0.20 C ATOM 2043 C GLY A 131 -6.070 -4.736 5.787 1.00 0.16 C ATOM 2044 O GLY A 131 -6.098 -3.826 6.617 1.00 0.19 O ATOM 0 H GLY A 131 -3.788 -3.678 6.259 1.00 0.19 H new ATOM 0 HA2 GLY A 131 -4.884 -5.268 4.090 1.00 0.20 H new ATOM 0 HA3 GLY A 131 -4.515 -6.181 5.540 1.00 0.20 H new ATOM 2048 N VAL A 132 -7.156 -5.380 5.375 1.00 0.18 N ATOM 2049 CA VAL A 132 -8.485 -5.062 5.881 1.00 0.16 C ATOM 2050 C VAL A 132 -8.722 -5.717 7.237 1.00 0.17 C ATOM 2051 O VAL A 132 -8.904 -6.932 7.329 1.00 0.22 O ATOM 2052 CB VAL A 132 -9.573 -5.525 4.894 1.00 0.17 C ATOM 2053 CG1 VAL A 132 -10.959 -5.176 5.411 1.00 0.18 C ATOM 2054 CG2 VAL A 132 -9.339 -4.911 3.522 1.00 0.22 C ATOM 0 H VAL A 132 -7.140 -6.132 4.686 1.00 0.18 H new ATOM 0 HA VAL A 132 -8.542 -3.979 5.993 1.00 0.16 H new ATOM 0 HB VAL A 132 -9.513 -6.609 4.802 1.00 0.17 H new ATOM 0 HG11 VAL A 132 -11.710 -5.513 4.696 1.00 0.18 H new ATOM 0 HG12 VAL A 132 -11.124 -5.668 6.370 1.00 0.18 H new ATOM 0 HG13 VAL A 132 -11.039 -4.096 5.538 1.00 0.18 H new ATOM 0 HG21 VAL A 132 -10.116 -5.248 2.835 1.00 0.22 H new ATOM 0 HG22 VAL A 132 -9.369 -3.824 3.600 1.00 0.22 H new ATOM 0 HG23 VAL A 132 -8.364 -5.221 3.146 1.00 0.22 H new ATOM 2064 N LYS A 133 -8.717 -4.902 8.287 1.00 0.17 N ATOM 2065 CA LYS A 133 -8.928 -5.400 9.641 1.00 0.21 C ATOM 2066 C LYS A 133 -10.373 -5.849 9.835 1.00 0.22 C ATOM 2067 O LYS A 133 -10.722 -6.989 9.532 1.00 0.24 O ATOM 2068 CB LYS A 133 -8.565 -4.321 10.666 1.00 0.29 C ATOM 2069 CG LYS A 133 -8.601 -4.809 12.106 1.00 0.35 C ATOM 2070 CD LYS A 133 -7.520 -5.844 12.372 1.00 1.17 C ATOM 2071 CE LYS A 133 -7.491 -6.258 13.832 1.00 1.20 C ATOM 2072 NZ LYS A 133 -8.832 -6.686 14.317 1.00 2.26 N ATOM 0 H LYS A 133 -8.569 -3.895 8.226 1.00 0.17 H new ATOM 0 HA LYS A 133 -8.279 -6.262 9.793 1.00 0.21 H new ATOM 0 HB2 LYS A 133 -7.567 -3.943 10.445 1.00 0.29 H new ATOM 0 HB3 LYS A 133 -9.254 -3.483 10.558 1.00 0.29 H new ATOM 0 HG2 LYS A 133 -8.470 -3.963 12.781 1.00 0.35 H new ATOM 0 HG3 LYS A 133 -9.579 -5.240 12.321 1.00 0.35 H new ATOM 0 HD2 LYS A 133 -7.693 -6.721 11.748 1.00 1.17 H new ATOM 0 HD3 LYS A 133 -6.549 -5.438 12.089 1.00 1.17 H new ATOM 0 HE2 LYS A 133 -6.780 -7.074 13.963 1.00 1.20 H new ATOM 0 HE3 LYS A 133 -7.135 -5.425 14.438 1.00 1.20 H new ATOM 0 HZ1 LYS A 133 -8.723 -7.469 14.992 1.00 2.26 H new ATOM 0 HZ2 LYS A 133 -9.303 -5.886 14.787 1.00 2.26 H new ATOM 0 HZ3 LYS A 133 -9.408 -7.002 13.511 1.00 2.26 H new ATOM 2086 N ASP A 134 -11.212 -4.951 10.343 1.00 0.26 N ATOM 2087 CA ASP A 134 -12.617 -5.263 10.568 1.00 0.31 C ATOM 2088 C ASP A 134 -13.448 -4.953 9.328 1.00 0.28 C ATOM 2089 O ASP A 134 -14.158 -5.816 8.812 1.00 0.30 O ATOM 2090 CB ASP A 134 -13.153 -4.485 11.773 1.00 0.39 C ATOM 2091 CG ASP A 134 -12.901 -2.995 11.659 1.00 1.40 C ATOM 2092 OD1 ASP A 134 -11.802 -2.548 12.048 1.00 2.23 O ATOM 2093 OD2 ASP A 134 -13.804 -2.275 11.184 1.00 1.76 O ATOM 0 H ASP A 134 -10.942 -4.003 10.606 1.00 0.26 H new ATOM 0 HA ASP A 134 -12.697 -6.330 10.776 1.00 0.31 H new ATOM 0 HB2 ASP A 134 -14.224 -4.663 11.869 1.00 0.39 H new ATOM 0 HB3 ASP A 134 -12.684 -4.861 12.682 1.00 0.39 H new ATOM 2098 N ASN A 135 -13.349 -3.714 8.854 1.00 0.27 N ATOM 2099 CA ASN A 135 -14.091 -3.279 7.676 1.00 0.27 C ATOM 2100 C ASN A 135 -13.339 -2.174 6.938 1.00 0.23 C ATOM 2101 O ASN A 135 -13.889 -1.526 6.047 1.00 0.26 O ATOM 2102 CB ASN A 135 -15.483 -2.778 8.077 1.00 0.35 C ATOM 2103 CG ASN A 135 -16.280 -3.818 8.841 1.00 1.25 C ATOM 2104 OD1 ASN A 135 -16.234 -3.871 10.070 1.00 2.08 O ATOM 2105 ND2 ASN A 135 -17.014 -4.653 8.116 1.00 1.98 N ATOM 0 H ASN A 135 -12.760 -2.992 9.270 1.00 0.27 H new ATOM 0 HA ASN A 135 -14.197 -4.135 7.009 1.00 0.27 H new ATOM 0 HB2 ASN A 135 -15.380 -1.882 8.690 1.00 0.35 H new ATOM 0 HB3 ASN A 135 -16.033 -2.490 7.181 1.00 0.35 H new ATOM 0 HD21 ASN A 135 -17.569 -5.375 8.576 1.00 1.98 H new ATOM 0 HD22 ASN A 135 -17.023 -4.573 7.099 1.00 1.98 H new ATOM 2112 N HIS A 136 -12.080 -1.963 7.316 1.00 0.19 N ATOM 2113 CA HIS A 136 -11.260 -0.931 6.696 1.00 0.21 C ATOM 2114 C HIS A 136 -9.786 -1.321 6.707 1.00 0.19 C ATOM 2115 O HIS A 136 -9.424 -2.401 7.174 1.00 0.17 O ATOM 2116 CB HIS A 136 -11.450 0.405 7.418 1.00 0.28 C ATOM 2117 CG HIS A 136 -11.334 0.308 8.909 1.00 0.35 C ATOM 2118 ND1 HIS A 136 -12.407 0.479 9.757 1.00 1.34 N ATOM 2119 CD2 HIS A 136 -10.264 0.066 9.704 1.00 0.89 C ATOM 2120 CE1 HIS A 136 -12.004 0.347 11.008 1.00 1.15 C ATOM 2121 NE2 HIS A 136 -10.708 0.094 11.002 1.00 0.49 N ATOM 0 H HIS A 136 -11.608 -2.494 8.048 1.00 0.19 H new ATOM 0 HA HIS A 136 -11.580 -0.826 5.659 1.00 0.21 H new ATOM 0 HB2 HIS A 136 -10.709 1.115 7.051 1.00 0.28 H new ATOM 0 HB3 HIS A 136 -12.430 0.808 7.165 1.00 0.28 H new ATOM 0 HD2 HIS A 136 -9.251 -0.115 9.377 1.00 0.89 H new ATOM 0 HE1 HIS A 136 -12.628 0.432 11.886 1.00 1.15 H new ATOM 0 HE2 HIS A 136 -10.130 -0.056 11.829 1.00 0.49 H new ATOM 2130 N LEU A 137 -8.941 -0.433 6.193 1.00 0.21 N ATOM 2131 CA LEU A 137 -7.507 -0.687 6.138 1.00 0.22 C ATOM 2132 C LEU A 137 -6.859 -0.498 7.506 1.00 0.25 C ATOM 2133 O LEU A 137 -7.272 0.356 8.290 1.00 0.38 O ATOM 2134 CB LEU A 137 -6.838 0.235 5.117 1.00 0.27 C ATOM 2135 CG LEU A 137 -7.128 -0.101 3.654 1.00 0.27 C ATOM 2136 CD1 LEU A 137 -6.492 0.930 2.734 1.00 0.32 C ATOM 2137 CD2 LEU A 137 -6.628 -1.500 3.317 1.00 0.27 C ATOM 0 H LEU A 137 -9.225 0.468 5.809 1.00 0.21 H new ATOM 0 HA LEU A 137 -7.367 -1.723 5.831 1.00 0.22 H new ATOM 0 HB2 LEU A 137 -7.159 1.259 5.309 1.00 0.27 H new ATOM 0 HB3 LEU A 137 -5.760 0.204 5.274 1.00 0.27 H new ATOM 0 HG LEU A 137 -8.207 -0.077 3.503 1.00 0.27 H new ATOM 0 HD11 LEU A 137 -6.709 0.675 1.697 1.00 0.32 H new ATOM 0 HD12 LEU A 137 -6.898 1.917 2.957 1.00 0.32 H new ATOM 0 HD13 LEU A 137 -5.413 0.938 2.888 1.00 0.32 H new ATOM 0 HD21 LEU A 137 -6.843 -1.721 2.272 1.00 0.27 H new ATOM 0 HD22 LEU A 137 -5.552 -1.552 3.485 1.00 0.27 H new ATOM 0 HD23 LEU A 137 -7.130 -2.229 3.953 1.00 0.27 H new ATOM 2149 N ALA A 138 -5.840 -1.304 7.776 1.00 0.20 N ATOM 2150 CA ALA A 138 -5.122 -1.242 9.040 1.00 0.21 C ATOM 2151 C ALA A 138 -3.841 -2.066 8.972 1.00 0.22 C ATOM 2152 O ALA A 138 -3.711 -2.959 8.132 1.00 0.30 O ATOM 2153 CB ALA A 138 -6.007 -1.731 10.178 1.00 0.20 C ATOM 0 H ALA A 138 -5.491 -2.013 7.131 1.00 0.20 H new ATOM 0 HA ALA A 138 -4.852 -0.203 9.230 1.00 0.21 H new ATOM 0 HB1 ALA A 138 -5.455 -1.678 11.117 1.00 0.20 H new ATOM 0 HB2 ALA A 138 -6.895 -1.103 10.244 1.00 0.20 H new ATOM 0 HB3 ALA A 138 -6.305 -2.762 9.990 1.00 0.20 H new ATOM 2159 N LEU A 139 -2.898 -1.758 9.855 1.00 0.19 N ATOM 2160 CA LEU A 139 -1.626 -2.470 9.897 1.00 0.21 C ATOM 2161 C LEU A 139 -1.795 -3.847 10.531 1.00 0.22 C ATOM 2162 O LEU A 139 -1.853 -3.975 11.755 1.00 0.28 O ATOM 2163 CB LEU A 139 -0.588 -1.660 10.677 1.00 0.23 C ATOM 2164 CG LEU A 139 -0.113 -0.375 9.992 1.00 0.30 C ATOM 2165 CD1 LEU A 139 0.850 0.385 10.891 1.00 0.62 C ATOM 2166 CD2 LEU A 139 0.547 -0.692 8.658 1.00 0.82 C ATOM 0 H LEU A 139 -2.990 -1.019 10.552 1.00 0.19 H new ATOM 0 HA LEU A 139 -1.278 -2.601 8.872 1.00 0.21 H new ATOM 0 HB2 LEU A 139 -1.009 -1.400 11.648 1.00 0.23 H new ATOM 0 HB3 LEU A 139 0.278 -2.294 10.864 1.00 0.23 H new ATOM 0 HG LEU A 139 -0.983 0.255 9.806 1.00 0.30 H new ATOM 0 HD11 LEU A 139 1.177 1.295 10.387 1.00 0.62 H new ATOM 0 HD12 LEU A 139 0.349 0.646 11.823 1.00 0.62 H new ATOM 0 HD13 LEU A 139 1.716 -0.241 11.108 1.00 0.62 H new ATOM 0 HD21 LEU A 139 0.878 0.234 8.187 1.00 0.82 H new ATOM 0 HD22 LEU A 139 1.406 -1.343 8.823 1.00 0.82 H new ATOM 0 HD23 LEU A 139 -0.169 -1.194 8.008 1.00 0.82 H new ATOM 2178 N ILE A 140 -1.874 -4.872 9.690 1.00 0.18 N ATOM 2179 CA ILE A 140 -2.035 -6.241 10.169 1.00 0.19 C ATOM 2180 C ILE A 140 -0.688 -6.953 10.232 1.00 0.25 C ATOM 2181 O ILE A 140 -0.002 -7.097 9.220 1.00 0.31 O ATOM 2182 CB ILE A 140 -2.992 -7.046 9.268 1.00 0.19 C ATOM 2183 CG1 ILE A 140 -4.346 -6.339 9.169 1.00 0.33 C ATOM 2184 CG2 ILE A 140 -3.161 -8.460 9.808 1.00 0.21 C ATOM 2185 CD1 ILE A 140 -5.319 -7.011 8.221 1.00 0.44 C ATOM 0 H ILE A 140 -1.829 -4.782 8.675 1.00 0.18 H new ATOM 0 HA ILE A 140 -2.463 -6.182 11.170 1.00 0.19 H new ATOM 0 HB ILE A 140 -2.563 -7.110 8.268 1.00 0.19 H new ATOM 0 HG12 ILE A 140 -4.794 -6.292 10.161 1.00 0.33 H new ATOM 0 HG13 ILE A 140 -4.186 -5.312 8.842 1.00 0.33 H new ATOM 0 HG21 ILE A 140 -3.839 -9.017 9.162 1.00 0.21 H new ATOM 0 HG22 ILE A 140 -2.192 -8.958 9.833 1.00 0.21 H new ATOM 0 HG23 ILE A 140 -3.573 -8.418 10.816 1.00 0.21 H new ATOM 0 HD11 ILE A 140 -6.255 -6.453 8.204 1.00 0.44 H new ATOM 0 HD12 ILE A 140 -4.892 -7.034 7.218 1.00 0.44 H new ATOM 0 HD13 ILE A 140 -5.510 -8.030 8.558 1.00 0.44 H new ATOM 2197 N LYS A 141 -0.318 -7.398 11.428 1.00 0.35 N ATOM 2198 CA LYS A 141 0.949 -8.092 11.629 1.00 0.44 C ATOM 2199 C LYS A 141 0.833 -9.563 11.241 1.00 0.32 C ATOM 2200 O LYS A 141 0.025 -10.302 11.803 1.00 0.50 O ATOM 2201 CB LYS A 141 1.395 -7.963 13.086 1.00 0.70 C ATOM 2202 CG LYS A 141 2.786 -8.515 13.351 1.00 0.79 C ATOM 2203 CD LYS A 141 3.294 -8.109 14.725 1.00 0.98 C ATOM 2204 CE LYS A 141 4.715 -8.595 14.957 1.00 1.45 C ATOM 2205 NZ LYS A 141 5.262 -8.118 16.258 1.00 2.04 N ATOM 0 H LYS A 141 -0.878 -7.290 12.274 1.00 0.35 H new ATOM 0 HA LYS A 141 1.698 -7.629 10.986 1.00 0.44 H new ATOM 0 HB2 LYS A 141 1.371 -6.912 13.372 1.00 0.70 H new ATOM 0 HB3 LYS A 141 0.680 -8.484 13.723 1.00 0.70 H new ATOM 0 HG2 LYS A 141 2.768 -9.602 13.275 1.00 0.79 H new ATOM 0 HG3 LYS A 141 3.474 -8.154 12.586 1.00 0.79 H new ATOM 0 HD2 LYS A 141 3.259 -7.024 14.822 1.00 0.98 H new ATOM 0 HD3 LYS A 141 2.638 -8.519 15.493 1.00 0.98 H new ATOM 0 HE2 LYS A 141 4.734 -9.685 14.933 1.00 1.45 H new ATOM 0 HE3 LYS A 141 5.354 -8.247 14.145 1.00 1.45 H new ATOM 0 HZ1 LYS A 141 6.233 -8.472 16.377 1.00 2.04 H new ATOM 0 HZ2 LYS A 141 5.268 -7.078 16.272 1.00 2.04 H new ATOM 0 HZ3 LYS A 141 4.667 -8.471 17.035 1.00 2.04 H new ATOM 2219 N VAL A 142 1.648 -9.980 10.276 1.00 0.35 N ATOM 2220 CA VAL A 142 1.638 -11.364 9.808 1.00 0.41 C ATOM 2221 C VAL A 142 3.055 -11.927 9.729 1.00 0.49 C ATOM 2222 O VAL A 142 3.960 -11.287 9.192 1.00 0.70 O ATOM 2223 CB VAL A 142 0.966 -11.482 8.424 1.00 0.56 C ATOM 2224 CG1 VAL A 142 1.045 -12.910 7.902 1.00 0.92 C ATOM 2225 CG2 VAL A 142 -0.480 -11.014 8.494 1.00 0.81 C ATOM 0 H VAL A 142 2.324 -9.380 9.803 1.00 0.35 H new ATOM 0 HA VAL A 142 1.063 -11.942 10.531 1.00 0.41 H new ATOM 0 HB VAL A 142 1.504 -10.839 7.727 1.00 0.56 H new ATOM 0 HG11 VAL A 142 0.565 -12.967 6.925 1.00 0.92 H new ATOM 0 HG12 VAL A 142 2.090 -13.207 7.810 1.00 0.92 H new ATOM 0 HG13 VAL A 142 0.537 -13.580 8.596 1.00 0.92 H new ATOM 0 HG21 VAL A 142 -0.939 -11.104 7.510 1.00 0.81 H new ATOM 0 HG22 VAL A 142 -1.028 -11.630 9.208 1.00 0.81 H new ATOM 0 HG23 VAL A 142 -0.510 -9.973 8.815 1.00 0.81 H new ATOM 2235 N ASP A 143 3.237 -13.130 10.265 1.00 0.49 N ATOM 2236 CA ASP A 143 4.543 -13.783 10.258 1.00 0.57 C ATOM 2237 C ASP A 143 4.641 -14.782 9.108 1.00 0.84 C ATOM 2238 O ASP A 143 3.693 -15.514 8.826 1.00 1.02 O ATOM 2239 CB ASP A 143 4.785 -14.492 11.591 1.00 0.73 C ATOM 2240 CG ASP A 143 6.178 -15.083 11.688 1.00 1.51 C ATOM 2241 OD1 ASP A 143 6.373 -16.222 11.215 1.00 2.39 O ATOM 2242 OD2 ASP A 143 7.074 -14.406 12.235 1.00 1.78 O ATOM 0 H ASP A 143 2.497 -13.673 10.710 1.00 0.49 H new ATOM 0 HA ASP A 143 5.308 -13.019 10.118 1.00 0.57 H new ATOM 0 HB2 ASP A 143 4.636 -13.785 12.407 1.00 0.73 H new ATOM 0 HB3 ASP A 143 4.048 -15.285 11.717 1.00 0.73 H new ATOM 2247 N SER A 144 5.795 -14.802 8.449 1.00 1.03 N ATOM 2248 CA SER A 144 6.024 -15.706 7.326 1.00 1.43 C ATOM 2249 C SER A 144 5.885 -17.164 7.751 1.00 1.30 C ATOM 2250 O SER A 144 6.314 -17.547 8.840 1.00 1.83 O ATOM 2251 CB SER A 144 7.414 -15.471 6.734 1.00 2.21 C ATOM 2252 OG SER A 144 7.564 -14.133 6.295 1.00 3.06 O ATOM 0 H SER A 144 6.588 -14.201 8.673 1.00 1.03 H new ATOM 0 HA SER A 144 5.267 -15.497 6.570 1.00 1.43 H new ATOM 0 HB2 SER A 144 8.174 -15.699 7.482 1.00 2.21 H new ATOM 0 HB3 SER A 144 7.576 -16.151 5.898 1.00 2.21 H new ATOM 0 HG SER A 144 8.462 -14.010 5.923 1.00 3.06 H new ATOM 2258 N SER A 145 5.278 -17.971 6.879 1.00 1.31 N ATOM 2259 CA SER A 145 5.078 -19.396 7.142 1.00 1.34 C ATOM 2260 C SER A 145 4.154 -19.624 8.337 1.00 1.30 C ATOM 2261 O SER A 145 3.907 -20.765 8.729 1.00 1.61 O ATOM 2262 CB SER A 145 6.421 -20.090 7.379 1.00 1.94 C ATOM 2263 OG SER A 145 6.247 -21.480 7.589 1.00 2.25 O ATOM 0 H SER A 145 4.914 -17.658 5.979 1.00 1.31 H new ATOM 0 HA SER A 145 4.602 -19.828 6.262 1.00 1.34 H new ATOM 0 HB2 SER A 145 7.074 -19.928 6.521 1.00 1.94 H new ATOM 0 HB3 SER A 145 6.915 -19.647 8.244 1.00 1.94 H new ATOM 0 HG SER A 145 5.416 -21.634 8.085 1.00 2.25 H new ATOM 2269 N GLU A 146 3.643 -18.539 8.911 1.00 1.26 N ATOM 2270 CA GLU A 146 2.750 -18.635 10.061 1.00 1.51 C ATOM 2271 C GLU A 146 1.306 -18.350 9.658 1.00 1.43 C ATOM 2272 O GLU A 146 0.430 -19.201 9.818 1.00 1.95 O ATOM 2273 CB GLU A 146 3.189 -17.663 11.157 1.00 1.75 C ATOM 2274 CG GLU A 146 2.379 -17.783 12.439 1.00 1.72 C ATOM 2275 CD GLU A 146 2.851 -16.826 13.517 1.00 2.48 C ATOM 2276 OE1 GLU A 146 3.755 -17.203 14.291 1.00 3.07 O ATOM 2277 OE2 GLU A 146 2.316 -15.699 13.585 1.00 3.04 O ATOM 0 H GLU A 146 3.831 -17.586 8.600 1.00 1.26 H new ATOM 0 HA GLU A 146 2.804 -19.653 10.446 1.00 1.51 H new ATOM 0 HB2 GLU A 146 4.241 -17.836 11.384 1.00 1.75 H new ATOM 0 HB3 GLU A 146 3.108 -16.643 10.780 1.00 1.75 H new ATOM 0 HG2 GLU A 146 1.329 -17.590 12.221 1.00 1.72 H new ATOM 0 HG3 GLU A 146 2.444 -18.805 12.812 1.00 1.72 H new ATOM 2284 N ASN A 147 1.066 -17.152 9.134 1.00 1.13 N ATOM 2285 CA ASN A 147 -0.273 -16.757 8.714 1.00 1.51 C ATOM 2286 C ASN A 147 -0.283 -16.294 7.259 1.00 1.30 C ATOM 2287 O ASN A 147 -0.739 -15.192 6.950 1.00 1.68 O ATOM 2288 CB ASN A 147 -0.808 -15.649 9.624 1.00 2.13 C ATOM 2289 CG ASN A 147 -0.995 -16.113 11.055 1.00 2.99 C ATOM 2290 OD1 ASN A 147 -1.348 -17.384 11.225 1.00 3.45 O flip ATOM 2291 ND2 ASN A 147 -0.828 -15.340 11.999 1.00 3.59 N flip ATOM 0 H ASN A 147 1.781 -16.439 8.990 1.00 1.13 H new ATOM 0 HA ASN A 147 -0.922 -17.629 8.795 1.00 1.51 H new ATOM 0 HB2 ASN A 147 -0.119 -14.804 9.606 1.00 2.13 H new ATOM 0 HB3 ASN A 147 -1.761 -15.291 9.234 1.00 2.13 H new ATOM 0 HD21 ASN A 147 -0.557 -14.372 11.824 1.00 3.59 H new ATOM 0 HD22 ASN A 147 -0.960 -15.667 12.956 1.00 3.59 H new ATOM 2298 N LEU A 148 0.220 -17.143 6.369 1.00 0.97 N ATOM 2299 CA LEU A 148 0.265 -16.821 4.947 1.00 1.05 C ATOM 2300 C LEU A 148 -1.098 -17.038 4.299 1.00 0.99 C ATOM 2301 O LEU A 148 -1.337 -16.606 3.171 1.00 1.29 O ATOM 2302 CB LEU A 148 1.322 -17.675 4.239 1.00 1.08 C ATOM 2303 CG LEU A 148 2.756 -17.484 4.735 1.00 1.18 C ATOM 2304 CD1 LEU A 148 3.704 -18.411 3.993 1.00 1.72 C ATOM 2305 CD2 LEU A 148 3.192 -16.034 4.568 1.00 1.74 C ATOM 0 H LEU A 148 0.602 -18.058 6.607 1.00 0.97 H new ATOM 0 HA LEU A 148 0.533 -15.769 4.847 1.00 1.05 H new ATOM 0 HB2 LEU A 148 1.053 -18.725 4.353 1.00 1.08 H new ATOM 0 HB3 LEU A 148 1.291 -17.452 3.173 1.00 1.08 H new ATOM 0 HG LEU A 148 2.788 -17.733 5.796 1.00 1.18 H new ATOM 0 HD11 LEU A 148 4.720 -18.261 4.359 1.00 1.72 H new ATOM 0 HD12 LEU A 148 3.407 -19.446 4.161 1.00 1.72 H new ATOM 0 HD13 LEU A 148 3.667 -18.191 2.926 1.00 1.72 H new ATOM 0 HD21 LEU A 148 4.215 -15.918 4.926 1.00 1.74 H new ATOM 0 HD22 LEU A 148 3.143 -15.758 3.515 1.00 1.74 H new ATOM 0 HD23 LEU A 148 2.530 -15.387 5.143 1.00 1.74 H new ATOM 2317 N CYS A 149 -1.990 -17.711 5.021 1.00 0.81 N ATOM 2318 CA CYS A 149 -3.334 -17.982 4.521 1.00 0.79 C ATOM 2319 C CYS A 149 -4.281 -16.839 4.865 1.00 0.79 C ATOM 2320 O CYS A 149 -5.493 -16.942 4.670 1.00 1.26 O ATOM 2321 CB CYS A 149 -3.865 -19.294 5.103 1.00 0.77 C ATOM 2322 SG CYS A 149 -2.862 -20.743 4.700 1.00 1.73 S ATOM 0 H CYS A 149 -1.806 -18.079 5.954 1.00 0.81 H new ATOM 0 HA CYS A 149 -3.280 -18.072 3.436 1.00 0.79 H new ATOM 0 HB2 CYS A 149 -3.927 -19.199 6.187 1.00 0.77 H new ATOM 0 HB3 CYS A 149 -4.880 -19.456 4.739 1.00 0.77 H new ATOM 0 HG CYS A 149 -3.392 -21.801 5.239 1.00 1.73 H new ATOM 2328 N THR A 150 -3.719 -15.748 5.377 1.00 0.52 N ATOM 2329 CA THR A 150 -4.510 -14.580 5.751 1.00 0.47 C ATOM 2330 C THR A 150 -4.949 -13.800 4.514 1.00 0.37 C ATOM 2331 O THR A 150 -4.166 -13.055 3.929 1.00 0.35 O ATOM 2332 CB THR A 150 -3.718 -13.644 6.684 1.00 0.52 C ATOM 2333 OG1 THR A 150 -3.262 -14.369 7.834 1.00 0.83 O ATOM 2334 CG2 THR A 150 -4.572 -12.467 7.132 1.00 1.06 C ATOM 0 H THR A 150 -2.717 -15.648 5.543 1.00 0.52 H new ATOM 0 HA THR A 150 -5.391 -14.945 6.279 1.00 0.47 H new ATOM 0 HB THR A 150 -2.862 -13.260 6.129 1.00 0.52 H new ATOM 0 HG1 THR A 150 -2.342 -14.671 7.686 1.00 0.83 H new ATOM 0 HG21 THR A 150 -3.988 -11.823 7.789 1.00 1.06 H new ATOM 0 HG22 THR A 150 -4.894 -11.898 6.260 1.00 1.06 H new ATOM 0 HG23 THR A 150 -5.447 -12.835 7.668 1.00 1.06 H new ATOM 2342 N GLU A 151 -6.206 -13.981 4.120 1.00 0.38 N ATOM 2343 CA GLU A 151 -6.747 -13.292 2.954 1.00 0.34 C ATOM 2344 C GLU A 151 -6.826 -11.785 3.189 1.00 0.28 C ATOM 2345 O GLU A 151 -6.938 -11.006 2.243 1.00 0.28 O ATOM 2346 CB GLU A 151 -8.133 -13.840 2.600 1.00 0.46 C ATOM 2347 CG GLU A 151 -9.169 -13.667 3.702 1.00 1.22 C ATOM 2348 CD GLU A 151 -8.980 -14.643 4.847 1.00 1.34 C ATOM 2349 OE1 GLU A 151 -9.409 -15.809 4.709 1.00 1.95 O ATOM 2350 OE2 GLU A 151 -8.406 -14.241 5.880 1.00 1.46 O ATOM 0 H GLU A 151 -6.868 -14.598 4.591 1.00 0.38 H new ATOM 0 HA GLU A 151 -6.070 -13.473 2.119 1.00 0.34 H new ATOM 0 HB2 GLU A 151 -8.490 -13.341 1.699 1.00 0.46 H new ATOM 0 HB3 GLU A 151 -8.043 -14.900 2.363 1.00 0.46 H new ATOM 0 HG2 GLU A 151 -9.116 -12.649 4.087 1.00 1.22 H new ATOM 0 HG3 GLU A 151 -10.166 -13.797 3.281 1.00 1.22 H new ATOM 2357 N ASN A 152 -6.769 -11.383 4.454 1.00 0.27 N ATOM 2358 CA ASN A 152 -6.843 -9.970 4.814 1.00 0.28 C ATOM 2359 C ASN A 152 -5.672 -9.179 4.232 1.00 0.29 C ATOM 2360 O ASN A 152 -5.832 -8.024 3.836 1.00 0.32 O ATOM 2361 CB ASN A 152 -6.872 -9.809 6.335 1.00 0.37 C ATOM 2362 CG ASN A 152 -8.067 -10.493 6.970 1.00 0.53 C ATOM 2363 OD1 ASN A 152 -8.566 -11.497 6.462 1.00 1.30 O ATOM 2364 ND2 ASN A 152 -8.533 -9.952 8.091 1.00 1.29 N ATOM 0 H ASN A 152 -6.672 -12.015 5.248 1.00 0.27 H new ATOM 0 HA ASN A 152 -7.765 -9.571 4.390 1.00 0.28 H new ATOM 0 HB2 ASN A 152 -5.955 -10.220 6.758 1.00 0.37 H new ATOM 0 HB3 ASN A 152 -6.890 -8.748 6.584 1.00 0.37 H new ATOM 0 HD21 ASN A 152 -9.334 -10.370 8.564 1.00 1.29 H new ATOM 0 HD22 ASN A 152 -8.089 -9.119 8.478 1.00 1.29 H new ATOM 2371 N ILE A 153 -4.497 -9.801 4.180 1.00 0.31 N ATOM 2372 CA ILE A 153 -3.310 -9.139 3.649 1.00 0.37 C ATOM 2373 C ILE A 153 -3.180 -9.345 2.142 1.00 0.38 C ATOM 2374 O ILE A 153 -2.377 -8.684 1.485 1.00 0.71 O ATOM 2375 CB ILE A 153 -2.023 -9.636 4.340 1.00 0.42 C ATOM 2376 CG1 ILE A 153 -1.845 -11.142 4.125 1.00 0.40 C ATOM 2377 CG2 ILE A 153 -2.067 -9.308 5.826 1.00 0.48 C ATOM 2378 CD1 ILE A 153 -0.488 -11.660 4.556 1.00 0.48 C ATOM 0 H ILE A 153 -4.342 -10.758 4.498 1.00 0.31 H new ATOM 0 HA ILE A 153 -3.434 -8.076 3.854 1.00 0.37 H new ATOM 0 HB ILE A 153 -1.168 -9.126 3.896 1.00 0.42 H new ATOM 0 HG12 ILE A 153 -2.620 -11.674 4.678 1.00 0.40 H new ATOM 0 HG13 ILE A 153 -1.993 -11.370 3.069 1.00 0.40 H new ATOM 0 HG21 ILE A 153 -1.154 -9.663 6.304 1.00 0.48 H new ATOM 0 HG22 ILE A 153 -2.150 -8.229 5.958 1.00 0.48 H new ATOM 0 HG23 ILE A 153 -2.929 -9.797 6.281 1.00 0.48 H new ATOM 0 HD11 ILE A 153 -0.434 -12.733 4.374 1.00 0.48 H new ATOM 0 HD12 ILE A 153 0.292 -11.156 3.986 1.00 0.48 H new ATOM 0 HD13 ILE A 153 -0.344 -11.464 5.619 1.00 0.48 H new ATOM 2390 N LEU A 154 -3.977 -10.263 1.601 1.00 0.24 N ATOM 2391 CA LEU A 154 -3.948 -10.550 0.171 1.00 0.22 C ATOM 2392 C LEU A 154 -4.738 -9.503 -0.609 1.00 0.20 C ATOM 2393 O LEU A 154 -5.940 -9.337 -0.399 1.00 0.28 O ATOM 2394 CB LEU A 154 -4.516 -11.944 -0.108 1.00 0.23 C ATOM 2395 CG LEU A 154 -3.811 -13.096 0.614 1.00 0.28 C ATOM 2396 CD1 LEU A 154 -4.443 -14.426 0.233 1.00 0.30 C ATOM 2397 CD2 LEU A 154 -2.323 -13.101 0.294 1.00 0.35 C ATOM 0 H LEU A 154 -4.649 -10.819 2.130 1.00 0.24 H new ATOM 0 HA LEU A 154 -2.909 -10.518 -0.157 1.00 0.22 H new ATOM 0 HB2 LEU A 154 -5.569 -11.952 0.173 1.00 0.23 H new ATOM 0 HB3 LEU A 154 -4.471 -12.128 -1.181 1.00 0.23 H new ATOM 0 HG LEU A 154 -3.928 -12.951 1.688 1.00 0.28 H new ATOM 0 HD11 LEU A 154 -3.931 -15.235 0.754 1.00 0.30 H new ATOM 0 HD12 LEU A 154 -5.496 -14.422 0.514 1.00 0.30 H new ATOM 0 HD13 LEU A 154 -4.356 -14.575 -0.843 1.00 0.30 H new ATOM 0 HD21 LEU A 154 -1.841 -13.927 0.817 1.00 0.35 H new ATOM 0 HD22 LEU A 154 -2.182 -13.220 -0.780 1.00 0.35 H new ATOM 0 HD23 LEU A 154 -1.878 -12.159 0.616 1.00 0.35 H new ATOM 2409 N PHE A 155 -4.056 -8.800 -1.509 1.00 0.17 N ATOM 2410 CA PHE A 155 -4.700 -7.770 -2.319 1.00 0.18 C ATOM 2411 C PHE A 155 -4.640 -8.107 -3.803 1.00 0.17 C ATOM 2412 O PHE A 155 -3.785 -8.873 -4.247 1.00 0.20 O ATOM 2413 CB PHE A 155 -4.048 -6.406 -2.080 1.00 0.22 C ATOM 2414 CG PHE A 155 -4.607 -5.664 -0.901 1.00 0.24 C ATOM 2415 CD1 PHE A 155 -5.957 -5.364 -0.831 1.00 0.37 C ATOM 2416 CD2 PHE A 155 -3.781 -5.274 0.143 1.00 0.43 C ATOM 2417 CE1 PHE A 155 -6.473 -4.686 0.256 1.00 0.42 C ATOM 2418 CE2 PHE A 155 -4.293 -4.598 1.232 1.00 0.52 C ATOM 2419 CZ PHE A 155 -5.637 -4.278 1.275 1.00 0.42 C ATOM 0 H PHE A 155 -3.061 -8.924 -1.696 1.00 0.17 H new ATOM 0 HA PHE A 155 -5.746 -7.729 -2.015 1.00 0.18 H new ATOM 0 HB2 PHE A 155 -2.977 -6.547 -1.934 1.00 0.22 H new ATOM 0 HB3 PHE A 155 -4.170 -5.794 -2.974 1.00 0.22 H new ATOM 0 HD1 PHE A 155 -6.613 -5.663 -1.635 1.00 0.37 H new ATOM 0 HD2 PHE A 155 -2.726 -5.502 0.103 1.00 0.43 H new ATOM 0 HE1 PHE A 155 -7.531 -4.475 0.308 1.00 0.42 H new ATOM 0 HE2 PHE A 155 -3.644 -4.319 2.049 1.00 0.52 H new ATOM 0 HZ PHE A 155 -6.032 -3.710 2.104 1.00 0.42 H new ATOM 2429 N LYS A 156 -5.559 -7.521 -4.563 1.00 0.18 N ATOM 2430 CA LYS A 156 -5.623 -7.737 -6.002 1.00 0.21 C ATOM 2431 C LYS A 156 -5.707 -6.400 -6.730 1.00 0.22 C ATOM 2432 O LYS A 156 -6.515 -5.539 -6.375 1.00 0.28 O ATOM 2433 CB LYS A 156 -6.831 -8.606 -6.360 1.00 0.24 C ATOM 2434 CG LYS A 156 -6.825 -9.966 -5.680 1.00 0.27 C ATOM 2435 CD LYS A 156 -7.977 -10.845 -6.153 1.00 0.40 C ATOM 2436 CE LYS A 156 -9.324 -10.331 -5.666 1.00 0.93 C ATOM 2437 NZ LYS A 156 -9.832 -9.202 -6.498 1.00 1.38 N ATOM 0 H LYS A 156 -6.274 -6.889 -4.202 1.00 0.18 H new ATOM 0 HA LYS A 156 -4.717 -8.255 -6.315 1.00 0.21 H new ATOM 0 HB2 LYS A 156 -7.743 -8.076 -6.086 1.00 0.24 H new ATOM 0 HB3 LYS A 156 -6.858 -8.749 -7.440 1.00 0.24 H new ATOM 0 HG2 LYS A 156 -5.879 -10.468 -5.882 1.00 0.27 H new ATOM 0 HG3 LYS A 156 -6.891 -9.832 -4.600 1.00 0.27 H new ATOM 0 HD2 LYS A 156 -7.977 -10.887 -7.242 1.00 0.40 H new ATOM 0 HD3 LYS A 156 -7.827 -11.863 -5.795 1.00 0.40 H new ATOM 0 HE2 LYS A 156 -10.048 -11.145 -5.681 1.00 0.93 H new ATOM 0 HE3 LYS A 156 -9.233 -10.004 -4.630 1.00 0.93 H new ATOM 0 HZ1 LYS A 156 -9.875 -8.338 -5.921 1.00 1.38 H new ATOM 0 HZ2 LYS A 156 -9.192 -9.049 -7.303 1.00 1.38 H new ATOM 0 HZ3 LYS A 156 -10.783 -9.431 -6.850 1.00 1.38 H new ATOM 2451 N LEU A 157 -4.864 -6.228 -7.743 1.00 0.25 N ATOM 2452 CA LEU A 157 -4.838 -4.991 -8.518 1.00 0.29 C ATOM 2453 C LEU A 157 -5.602 -5.151 -9.828 1.00 0.32 C ATOM 2454 O LEU A 157 -5.845 -6.267 -10.284 1.00 0.53 O ATOM 2455 CB LEU A 157 -3.392 -4.576 -8.800 1.00 0.39 C ATOM 2456 CG LEU A 157 -2.544 -4.301 -7.556 1.00 0.48 C ATOM 2457 CD1 LEU A 157 -1.099 -4.030 -7.944 1.00 0.58 C ATOM 2458 CD2 LEU A 157 -3.113 -3.128 -6.771 1.00 0.51 C ATOM 0 H LEU A 157 -4.189 -6.930 -8.047 1.00 0.25 H new ATOM 0 HA LEU A 157 -5.325 -4.212 -7.932 1.00 0.29 H new ATOM 0 HB2 LEU A 157 -2.911 -5.362 -9.383 1.00 0.39 H new ATOM 0 HB3 LEU A 157 -3.401 -3.680 -9.420 1.00 0.39 H new ATOM 0 HG LEU A 157 -2.570 -5.186 -6.921 1.00 0.48 H new ATOM 0 HD11 LEU A 157 -0.511 -3.837 -7.047 1.00 0.58 H new ATOM 0 HD12 LEU A 157 -0.693 -4.898 -8.464 1.00 0.58 H new ATOM 0 HD13 LEU A 157 -1.055 -3.161 -8.600 1.00 0.58 H new ATOM 0 HD21 LEU A 157 -2.497 -2.947 -5.890 1.00 0.51 H new ATOM 0 HD22 LEU A 157 -3.118 -2.238 -7.400 1.00 0.51 H new ATOM 0 HD23 LEU A 157 -4.132 -3.358 -6.460 1.00 0.51 H new ATOM 2470 N SER A 158 -5.980 -4.025 -10.426 1.00 0.41 N ATOM 2471 CA SER A 158 -6.720 -4.038 -11.685 1.00 0.48 C ATOM 2472 C SER A 158 -6.300 -2.874 -12.575 1.00 0.50 C ATOM 2473 O SER A 158 -6.149 -1.745 -12.107 1.00 0.69 O ATOM 2474 CB SER A 158 -8.224 -3.965 -11.416 1.00 0.57 C ATOM 2475 OG SER A 158 -8.624 -4.952 -10.482 1.00 1.47 O ATOM 0 H SER A 158 -5.787 -3.093 -10.060 1.00 0.41 H new ATOM 0 HA SER A 158 -6.491 -4.970 -12.201 1.00 0.48 H new ATOM 0 HB2 SER A 158 -8.481 -2.976 -11.037 1.00 0.57 H new ATOM 0 HB3 SER A 158 -8.770 -4.101 -12.349 1.00 0.57 H new ATOM 0 HG SER A 158 -9.589 -4.883 -10.326 1.00 1.47 H new ATOM 2481 N GLU A 159 -6.115 -3.156 -13.861 1.00 0.58 N ATOM 2482 CA GLU A 159 -5.717 -2.128 -14.816 1.00 0.66 C ATOM 2483 C GLU A 159 -6.933 -1.558 -15.533 1.00 0.60 C ATOM 2484 O GLU A 159 -7.310 -2.024 -16.610 1.00 0.73 O ATOM 2485 CB GLU A 159 -4.727 -2.702 -15.833 1.00 0.94 C ATOM 2486 CG GLU A 159 -3.392 -3.109 -15.229 1.00 1.13 C ATOM 2487 CD GLU A 159 -3.510 -4.286 -14.282 1.00 1.69 C ATOM 2488 OE1 GLU A 159 -3.523 -5.438 -14.766 1.00 2.11 O ATOM 2489 OE2 GLU A 159 -3.586 -4.057 -13.057 1.00 2.23 O ATOM 0 H GLU A 159 -6.234 -4.085 -14.265 1.00 0.58 H new ATOM 0 HA GLU A 159 -5.231 -1.322 -14.267 1.00 0.66 H new ATOM 0 HB2 GLU A 159 -5.177 -3.570 -16.314 1.00 0.94 H new ATOM 0 HB3 GLU A 159 -4.551 -1.961 -16.613 1.00 0.94 H new ATOM 0 HG2 GLU A 159 -2.698 -3.362 -16.030 1.00 1.13 H new ATOM 0 HG3 GLU A 159 -2.966 -2.260 -14.694 1.00 1.13 H new ATOM 2496 N THR A 160 -7.542 -0.543 -14.929 1.00 0.57 N ATOM 2497 CA THR A 160 -8.719 0.099 -15.506 1.00 0.69 C ATOM 2498 C THR A 160 -8.385 1.498 -16.018 1.00 1.35 C ATOM 2499 O THR A 160 -8.046 1.625 -17.213 1.00 1.89 O ATOM 2500 CB THR A 160 -9.861 0.195 -14.475 1.00 1.14 C ATOM 2501 OG1 THR A 160 -10.145 -1.101 -13.936 1.00 1.94 O ATOM 2502 CG2 THR A 160 -11.118 0.767 -15.111 1.00 1.98 C ATOM 2503 OXT THR A 160 -8.464 2.453 -15.218 1.00 2.15 O ATOM 0 H THR A 160 -7.240 -0.146 -14.039 1.00 0.57 H new ATOM 0 HA THR A 160 -9.045 -0.519 -16.342 1.00 0.69 H new ATOM 0 HB THR A 160 -9.541 0.861 -13.674 1.00 1.14 H new ATOM 0 HG1 THR A 160 -10.870 -1.031 -13.281 1.00 1.94 H new ATOM 0 HG21 THR A 160 -11.910 0.825 -14.364 1.00 1.98 H new ATOM 0 HG22 THR A 160 -10.909 1.765 -15.496 1.00 1.98 H new ATOM 0 HG23 THR A 160 -11.438 0.122 -15.929 1.00 1.98 H new TER 2511 THR A 160