USER MOD reduce.3.24.130724 H: found=0, std=0, add=1236, rem=0, adj=51 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 135 ASN : amide:sc= -0.194 K(o=-0.23,f=-4.2!) USER MOD Set 1.2: A 136 HIS : no HE2:sc= -0.0366 K(o=-0.23,f=-1.9) USER MOD Set 2.1: A 56 SER OG : rot 170:sc= 0 USER MOD Set 2.2: A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 12 TYR OH : rot -130:sc= 0.321 USER MOD Set 3.2: A 53 TYR OH : rot 17:sc= 0.341 USER MOD Set 4.1: A 45 LYS NZ :NH3+ 151:sc= -1.68! (180deg=-2.4!) USER MOD Set 4.2: A 48 LYS NZ :NH3+ -133:sc= -0.0176 (180deg=-0.219) USER MOD Set 4.3: A 160 THR OG1 : rot 45:sc= 0.697 USER MOD Set 5.1: A 17 SER OG : rot 180:sc= 0 USER MOD Set 5.2: A 23 SER OG : rot -140:sc= -0.431 USER MOD Single : A 0 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= -0.145 USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.0104 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 173:sc= -0.541 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -0.469 K(o=-0.47,f=-1.3) USER MOD Single : A 22 GLN : amide:sc= -0.812 X(o=-0.81,f=-0.43) USER MOD Single : A 25 THR OG1 : rot -168:sc= 1.26 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ -167:sc= -0.0391 (180deg=-0.267) USER MOD Single : A 42 LYS NZ :NH3+ 166:sc= -0.0364 (180deg=-0.305) USER MOD Single : A 46 LYS NZ :NH3+ 165:sc= -1.65 (180deg=-2.76!) USER MOD Single : A 52 SER OG : rot -146:sc= 0.799 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -0.388 X(o=-0.39,f=-0.13) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -123:sc= 0 (180deg=-0.55) USER MOD Single : A 73 MET CE :methyl -162:sc= -0.133 (180deg=-0.83) USER MOD Single : A 75 THR OG1 : rot 180:sc= -1.32 USER MOD Single : A 77 SER OG : rot -75:sc= 0.272 USER MOD Single : A 79 THR OG1 : rot -39:sc= -2.2! USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 HIS : no HE2:sc= -1.48! C(o=-1.5!,f=-2.9!) USER MOD Single : A 87 ASN : amide:sc= -0.226 K(o=-0.23,f=-3.9!) USER MOD Single : A 88 ASN : amide:sc= -0.278 X(o=-0.28,f=-0.015) USER MOD Single : A 89 LYS NZ :NH3+ -163:sc= -0.0477 (180deg=-0.33) USER MOD Single : A 91 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 96 HIS : no HE2:sc= -1.15 K(o=-1.1,f=-2.3!) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 CYS SG : rot 180:sc= -0.0294 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 111 HIS : no HD1:sc= -0.66 X(o=-0.66,f=-0.4) USER MOD Single : A 112 ASN : amide:sc=-0.00879 X(o=-0.0088,f=0.032) USER MOD Single : A 113 MET CE :methyl -138:sc= -0.078 (180deg=-0.514) USER MOD Single : A 114 HIS : no HD1:sc= -0.111 X(o=-0.11,f=0) USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 116 ASN : amide:sc= -0.977 K(o=-0.98,f=0) USER MOD Single : A 117 CYS SG : rot -111:sc= -0.0442 USER MOD Single : A 119 SER OG : rot 180:sc= -0.368 USER MOD Single : A 122 CYS SG : rot 180:sc= -2.6 USER MOD Single : A 123 LYS NZ :NH3+ -176:sc= 0.353 (180deg=0.346) USER MOD Single : A 124 THR OG1 : rot 81:sc= 0.598 USER MOD Single : A 133 LYS NZ :NH3+ 162:sc= -0.0772 (180deg=-0.471) 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 180:sc= 0 USER MOD Single : A 147 ASN : amide:sc= -0.65 K(o=-0.65,f=-4.1!) USER MOD Single : A 149 CYS SG : rot -54:sc= -0.217 USER MOD Single : A 150 THR OG1 : rot 44:sc= 0.262 USER MOD Single : A 152 ASN : amide:sc= -0.229 K(o=-0.23,f=-3.1!) USER MOD Single : A 156 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 158 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 0 17.065 11.264 6.854 1.00 7.74 N ATOM 2 CA GLY A 0 16.568 12.050 5.690 1.00 7.29 C ATOM 3 C GLY A 0 15.176 11.633 5.260 1.00 6.59 C ATOM 4 O GLY A 0 14.203 11.859 5.979 1.00 6.87 O ATOM 0 H1 GLY A 0 18.020 11.587 7.109 1.00 7.74 H new ATOM 0 H2 GLY A 0 16.426 11.400 7.663 1.00 7.74 H new ATOM 0 H3 GLY A 0 17.096 10.255 6.604 1.00 7.74 H new ATOM 0 HA2 GLY A 0 16.563 13.109 5.946 1.00 7.29 H new ATOM 0 HA3 GLY A 0 17.255 11.928 4.853 1.00 7.29 H new ATOM 10 N SER A 1 15.081 11.022 4.082 1.00 5.98 N ATOM 11 CA SER A 1 13.796 10.572 3.556 1.00 5.55 C ATOM 12 C SER A 1 13.971 9.339 2.673 1.00 4.98 C ATOM 13 O SER A 1 13.446 8.269 2.977 1.00 4.98 O ATOM 14 CB SER A 1 13.126 11.695 2.762 1.00 5.73 C ATOM 15 OG SER A 1 13.933 12.107 1.675 1.00 6.24 O ATOM 0 H SER A 1 15.877 10.828 3.475 1.00 5.98 H new ATOM 0 HA SER A 1 13.159 10.304 4.399 1.00 5.55 H new ATOM 0 HB2 SER A 1 12.159 11.355 2.392 1.00 5.73 H new ATOM 0 HB3 SER A 1 12.935 12.544 3.419 1.00 5.73 H new ATOM 0 HG SER A 1 13.480 12.824 1.184 1.00 6.24 H new ATOM 21 N SER A 2 14.712 9.499 1.581 1.00 4.86 N ATOM 22 CA SER A 2 14.953 8.398 0.654 1.00 4.65 C ATOM 23 C SER A 2 16.401 7.924 0.737 1.00 3.55 C ATOM 24 O SER A 2 17.140 8.315 1.640 1.00 3.84 O ATOM 25 CB SER A 2 14.622 8.826 -0.776 1.00 5.55 C ATOM 26 OG SER A 2 15.419 9.927 -1.178 1.00 5.99 O ATOM 0 H SER A 2 15.155 10.379 1.316 1.00 4.86 H new ATOM 0 HA SER A 2 14.303 7.569 0.935 1.00 4.65 H new ATOM 0 HB2 SER A 2 14.783 7.989 -1.456 1.00 5.55 H new ATOM 0 HB3 SER A 2 13.567 9.093 -0.844 1.00 5.55 H new ATOM 0 HG SER A 2 15.189 10.180 -2.096 1.00 5.99 H new ATOM 32 N ILE A 3 16.802 7.083 -0.212 1.00 2.69 N ATOM 33 CA ILE A 3 18.164 6.559 -0.240 1.00 1.87 C ATOM 34 C ILE A 3 19.113 7.547 -0.911 1.00 1.35 C ATOM 35 O ILE A 3 19.948 8.165 -0.251 1.00 1.91 O ATOM 36 CB ILE A 3 18.242 5.202 -0.973 1.00 2.23 C ATOM 37 CG1 ILE A 3 17.327 4.170 -0.302 1.00 2.35 C ATOM 38 CG2 ILE A 3 19.676 4.694 -1.004 1.00 2.72 C ATOM 39 CD1 ILE A 3 15.866 4.311 -0.676 1.00 2.23 C ATOM 0 H ILE A 3 16.205 6.751 -0.970 1.00 2.69 H new ATOM 0 HA ILE A 3 18.466 6.411 0.797 1.00 1.87 H new ATOM 0 HB ILE A 3 17.902 5.349 -1.998 1.00 2.23 H new ATOM 0 HG12 ILE A 3 17.666 3.169 -0.570 1.00 2.35 H new ATOM 0 HG13 ILE A 3 17.425 4.260 0.780 1.00 2.35 H new ATOM 0 HG21 ILE A 3 19.712 3.737 -1.524 1.00 2.72 H new ATOM 0 HG22 ILE A 3 20.306 5.414 -1.526 1.00 2.72 H new ATOM 0 HG23 ILE A 3 20.039 4.566 0.016 1.00 2.72 H new ATOM 0 HD11 ILE A 3 15.283 3.546 -0.162 1.00 2.23 H new ATOM 0 HD12 ILE A 3 15.509 5.298 -0.382 1.00 2.23 H new ATOM 0 HD13 ILE A 3 15.753 4.190 -1.753 1.00 2.23 H new ATOM 51 N THR A 4 18.979 7.692 -2.227 1.00 1.51 N ATOM 52 CA THR A 4 19.827 8.607 -2.984 1.00 1.85 C ATOM 53 C THR A 4 19.127 9.093 -4.252 1.00 1.58 C ATOM 54 O THR A 4 19.376 8.586 -5.346 1.00 1.84 O ATOM 55 CB THR A 4 21.171 7.949 -3.359 1.00 3.01 C ATOM 56 OG1 THR A 4 21.869 8.764 -4.308 1.00 3.60 O ATOM 57 CG2 THR A 4 20.959 6.556 -3.937 1.00 3.68 C ATOM 0 H THR A 4 18.293 7.189 -2.790 1.00 1.51 H new ATOM 0 HA THR A 4 20.023 9.463 -2.339 1.00 1.85 H new ATOM 0 HB THR A 4 21.766 7.857 -2.450 1.00 3.01 H new ATOM 0 HG1 THR A 4 22.722 8.340 -4.539 1.00 3.60 H new ATOM 0 HG21 THR A 4 21.924 6.117 -4.192 1.00 3.68 H new ATOM 0 HG22 THR A 4 20.458 5.928 -3.200 1.00 3.68 H new ATOM 0 HG23 THR A 4 20.343 6.624 -4.834 1.00 3.68 H new ATOM 65 N GLY A 5 18.253 10.083 -4.096 1.00 1.36 N ATOM 66 CA GLY A 5 17.531 10.628 -5.231 1.00 1.29 C ATOM 67 C GLY A 5 16.791 9.564 -6.018 1.00 1.13 C ATOM 68 O GLY A 5 16.895 9.505 -7.244 1.00 1.34 O ATOM 0 H GLY A 5 18.032 10.518 -3.201 1.00 1.36 H new ATOM 0 HA2 GLY A 5 16.819 11.375 -4.879 1.00 1.29 H new ATOM 0 HA3 GLY A 5 18.232 11.141 -5.890 1.00 1.29 H new ATOM 72 N ILE A 6 16.044 8.718 -5.311 1.00 0.84 N ATOM 73 CA ILE A 6 15.287 7.648 -5.949 1.00 0.72 C ATOM 74 C ILE A 6 14.326 8.200 -6.998 1.00 0.71 C ATOM 75 O ILE A 6 13.936 9.367 -6.944 1.00 0.85 O ATOM 76 CB ILE A 6 14.489 6.829 -4.914 1.00 0.64 C ATOM 77 CG1 ILE A 6 13.587 7.748 -4.089 1.00 0.78 C ATOM 78 CG2 ILE A 6 15.438 6.055 -4.011 1.00 0.90 C ATOM 79 CD1 ILE A 6 12.637 7.007 -3.171 1.00 0.88 C ATOM 0 H ILE A 6 15.948 8.755 -4.296 1.00 0.84 H new ATOM 0 HA ILE A 6 16.012 6.996 -6.436 1.00 0.72 H new ATOM 0 HB ILE A 6 13.858 6.115 -5.443 1.00 0.64 H new ATOM 0 HG12 ILE A 6 14.211 8.413 -3.491 1.00 0.78 H new ATOM 0 HG13 ILE A 6 13.008 8.376 -4.766 1.00 0.78 H new ATOM 0 HG21 ILE A 6 14.862 5.481 -3.285 1.00 0.90 H new ATOM 0 HG22 ILE A 6 16.041 5.376 -4.614 1.00 0.90 H new ATOM 0 HG23 ILE A 6 16.091 6.752 -3.486 1.00 0.90 H new ATOM 0 HD11 ILE A 6 12.030 7.725 -2.619 1.00 0.88 H new ATOM 0 HD12 ILE A 6 11.987 6.362 -3.763 1.00 0.88 H new ATOM 0 HD13 ILE A 6 13.209 6.400 -2.469 1.00 0.88 H new ATOM 91 N SER A 7 13.949 7.352 -7.950 1.00 0.67 N ATOM 92 CA SER A 7 13.037 7.752 -9.015 1.00 0.69 C ATOM 93 C SER A 7 11.988 6.669 -9.266 1.00 0.58 C ATOM 94 O SER A 7 12.233 5.490 -9.009 1.00 0.54 O ATOM 95 CB SER A 7 13.818 8.028 -10.301 1.00 0.81 C ATOM 96 OG SER A 7 14.770 9.060 -10.108 1.00 1.60 O ATOM 0 H SER A 7 14.262 6.383 -8.005 1.00 0.67 H new ATOM 0 HA SER A 7 12.526 8.663 -8.703 1.00 0.69 H new ATOM 0 HB2 SER A 7 14.324 7.119 -10.625 1.00 0.81 H new ATOM 0 HB3 SER A 7 13.128 8.310 -11.096 1.00 0.81 H new ATOM 0 HG SER A 7 15.257 9.216 -10.944 1.00 1.60 H new ATOM 102 N PRO A 8 10.800 7.056 -9.773 1.00 0.57 N ATOM 103 CA PRO A 8 9.717 6.110 -10.055 1.00 0.48 C ATOM 104 C PRO A 8 10.006 5.245 -11.277 1.00 0.47 C ATOM 105 O PRO A 8 10.324 5.756 -12.351 1.00 0.58 O ATOM 106 CB PRO A 8 8.514 7.018 -10.312 1.00 0.49 C ATOM 107 CG PRO A 8 9.103 8.287 -10.815 1.00 0.69 C ATOM 108 CD PRO A 8 10.422 8.444 -10.108 1.00 0.67 C ATOM 0 HA PRO A 8 9.568 5.404 -9.238 1.00 0.48 H new ATOM 0 HB2 PRO A 8 7.835 6.579 -11.043 1.00 0.49 H new ATOM 0 HB3 PRO A 8 7.939 7.182 -9.401 1.00 0.49 H new ATOM 0 HG2 PRO A 8 9.242 8.251 -11.896 1.00 0.69 H new ATOM 0 HG3 PRO A 8 8.446 9.131 -10.606 1.00 0.69 H new ATOM 0 HD2 PRO A 8 11.166 8.920 -10.747 1.00 0.67 H new ATOM 0 HD3 PRO A 8 10.328 9.061 -9.215 1.00 0.67 H new ATOM 116 N ILE A 9 9.886 3.934 -11.104 1.00 0.41 N ATOM 117 CA ILE A 9 10.137 2.988 -12.186 1.00 0.46 C ATOM 118 C ILE A 9 8.920 2.854 -13.093 1.00 0.45 C ATOM 119 O ILE A 9 9.051 2.727 -14.310 1.00 0.53 O ATOM 120 CB ILE A 9 10.505 1.595 -11.636 1.00 0.48 C ATOM 121 CG1 ILE A 9 11.409 1.725 -10.406 1.00 0.51 C ATOM 122 CG2 ILE A 9 11.179 0.759 -12.715 1.00 0.65 C ATOM 123 CD1 ILE A 9 12.696 2.480 -10.667 1.00 1.53 C ATOM 0 H ILE A 9 9.615 3.500 -10.221 1.00 0.41 H new ATOM 0 HA ILE A 9 10.975 3.380 -12.762 1.00 0.46 H new ATOM 0 HB ILE A 9 9.589 1.089 -11.333 1.00 0.48 H new ATOM 0 HG12 ILE A 9 10.857 2.230 -9.614 1.00 0.51 H new ATOM 0 HG13 ILE A 9 11.652 0.728 -10.039 1.00 0.51 H new ATOM 0 HG21 ILE A 9 11.432 -0.221 -12.311 1.00 0.65 H new ATOM 0 HG22 ILE A 9 10.500 0.639 -13.559 1.00 0.65 H new ATOM 0 HG23 ILE A 9 12.088 1.260 -13.049 1.00 0.65 H new ATOM 0 HD11 ILE A 9 13.281 2.530 -9.749 1.00 1.53 H new ATOM 0 HD12 ILE A 9 13.271 1.964 -11.436 1.00 1.53 H new ATOM 0 HD13 ILE A 9 12.463 3.490 -11.004 1.00 1.53 H new ATOM 135 N THR A 10 7.736 2.884 -12.490 1.00 0.41 N ATOM 136 CA THR A 10 6.492 2.766 -13.241 1.00 0.42 C ATOM 137 C THR A 10 5.304 3.250 -12.416 1.00 0.31 C ATOM 138 O THR A 10 5.156 2.889 -11.247 1.00 0.28 O ATOM 139 CB THR A 10 6.240 1.314 -13.689 1.00 0.52 C ATOM 140 OG1 THR A 10 4.955 1.206 -14.313 1.00 0.54 O ATOM 141 CG2 THR A 10 6.316 0.359 -12.507 1.00 0.53 C ATOM 0 H THR A 10 7.612 2.989 -11.483 1.00 0.41 H new ATOM 0 HA THR A 10 6.595 3.395 -14.125 1.00 0.42 H new ATOM 0 HB THR A 10 7.015 1.042 -14.406 1.00 0.52 H new ATOM 0 HG1 THR A 10 4.805 0.280 -14.596 1.00 0.54 H new ATOM 0 HG21 THR A 10 6.134 -0.660 -12.850 1.00 0.53 H new ATOM 0 HG22 THR A 10 7.306 0.419 -12.054 1.00 0.53 H new ATOM 0 HG23 THR A 10 5.562 0.633 -11.769 1.00 0.53 H new ATOM 149 N GLU A 11 4.465 4.074 -13.033 1.00 0.34 N ATOM 150 CA GLU A 11 3.288 4.612 -12.365 1.00 0.27 C ATOM 151 C GLU A 11 2.032 4.340 -13.186 1.00 0.23 C ATOM 152 O GLU A 11 1.940 4.747 -14.344 1.00 0.32 O ATOM 153 CB GLU A 11 3.448 6.119 -12.142 1.00 0.35 C ATOM 154 CG GLU A 11 4.767 6.500 -11.490 1.00 1.07 C ATOM 155 CD GLU A 11 4.875 7.987 -11.217 1.00 1.05 C ATOM 156 OE1 GLU A 11 5.256 8.734 -12.144 1.00 1.46 O ATOM 157 OE2 GLU A 11 4.582 8.405 -10.078 1.00 0.76 O ATOM 0 H GLU A 11 4.579 4.384 -13.998 1.00 0.34 H new ATOM 0 HA GLU A 11 3.187 4.117 -11.399 1.00 0.27 H new ATOM 0 HB2 GLU A 11 3.365 6.631 -13.101 1.00 0.35 H new ATOM 0 HB3 GLU A 11 2.628 6.475 -11.519 1.00 0.35 H new ATOM 0 HG2 GLU A 11 4.876 5.954 -10.553 1.00 1.07 H new ATOM 0 HG3 GLU A 11 5.589 6.192 -12.136 1.00 1.07 H new ATOM 164 N TYR A 12 1.069 3.649 -12.584 1.00 0.33 N ATOM 165 CA TYR A 12 -0.174 3.327 -13.275 1.00 0.46 C ATOM 166 C TYR A 12 -1.358 3.349 -12.316 1.00 0.33 C ATOM 167 O TYR A 12 -1.191 3.235 -11.102 1.00 0.28 O ATOM 168 CB TYR A 12 -0.070 1.959 -13.953 1.00 0.67 C ATOM 169 CG TYR A 12 0.228 0.824 -12.998 1.00 0.46 C ATOM 170 CD1 TYR A 12 1.536 0.467 -12.702 1.00 0.71 C ATOM 171 CD2 TYR A 12 -0.801 0.107 -12.399 1.00 0.62 C ATOM 172 CE1 TYR A 12 1.813 -0.571 -11.834 1.00 1.26 C ATOM 173 CE2 TYR A 12 -0.532 -0.933 -11.529 1.00 1.16 C ATOM 174 CZ TYR A 12 0.777 -1.267 -11.250 1.00 1.50 C ATOM 175 OH TYR A 12 1.051 -2.302 -10.384 1.00 2.11 O ATOM 0 H TYR A 12 1.125 3.303 -11.626 1.00 0.33 H new ATOM 0 HA TYR A 12 -0.340 4.088 -14.038 1.00 0.46 H new ATOM 0 HB2 TYR A 12 -1.006 1.749 -14.471 1.00 0.67 H new ATOM 0 HB3 TYR A 12 0.712 1.998 -14.711 1.00 0.67 H new ATOM 0 HD1 TYR A 12 2.351 1.010 -13.158 1.00 0.71 H new ATOM 0 HD2 TYR A 12 -1.827 0.366 -12.617 1.00 0.62 H new ATOM 0 HE1 TYR A 12 2.837 -0.836 -11.614 1.00 1.26 H new ATOM 0 HE2 TYR A 12 -1.342 -1.481 -11.070 1.00 1.16 H new ATOM 0 HH TYR A 12 0.533 -3.092 -10.644 1.00 2.11 H new ATOM 185 N LEU A 13 -2.556 3.498 -12.874 1.00 0.42 N ATOM 186 CA LEU A 13 -3.776 3.538 -12.075 1.00 0.35 C ATOM 187 C LEU A 13 -4.275 2.131 -11.767 1.00 0.29 C ATOM 188 O LEU A 13 -4.508 1.331 -12.673 1.00 0.35 O ATOM 189 CB LEU A 13 -4.865 4.329 -12.805 1.00 0.45 C ATOM 190 CG LEU A 13 -4.551 5.810 -13.033 1.00 0.59 C ATOM 191 CD1 LEU A 13 -5.657 6.468 -13.841 1.00 1.17 C ATOM 192 CD2 LEU A 13 -4.362 6.526 -11.702 1.00 0.93 C ATOM 0 H LEU A 13 -2.708 3.593 -13.878 1.00 0.42 H new ATOM 0 HA LEU A 13 -3.544 4.035 -11.133 1.00 0.35 H new ATOM 0 HB2 LEU A 13 -5.047 3.859 -13.772 1.00 0.45 H new ATOM 0 HB3 LEU A 13 -5.791 4.254 -12.235 1.00 0.45 H new ATOM 0 HG LEU A 13 -3.621 5.884 -13.597 1.00 0.59 H new ATOM 0 HD11 LEU A 13 -5.419 7.521 -13.994 1.00 1.17 H new ATOM 0 HD12 LEU A 13 -5.746 5.972 -14.807 1.00 1.17 H new ATOM 0 HD13 LEU A 13 -6.601 6.385 -13.302 1.00 1.17 H new ATOM 0 HD21 LEU A 13 -4.140 7.578 -11.883 1.00 0.93 H new ATOM 0 HD22 LEU A 13 -5.275 6.445 -11.112 1.00 0.93 H new ATOM 0 HD23 LEU A 13 -3.536 6.069 -11.157 1.00 0.93 H new ATOM 204 N ALA A 14 -4.440 1.840 -10.481 1.00 0.22 N ATOM 205 CA ALA A 14 -4.913 0.532 -10.044 1.00 0.20 C ATOM 206 C ALA A 14 -5.710 0.648 -8.750 1.00 0.20 C ATOM 207 O ALA A 14 -5.340 1.401 -7.849 1.00 0.32 O ATOM 208 CB ALA A 14 -3.743 -0.421 -9.862 1.00 0.30 C ATOM 0 H ALA A 14 -4.253 2.494 -9.721 1.00 0.22 H new ATOM 0 HA ALA A 14 -5.572 0.133 -10.815 1.00 0.20 H new ATOM 0 HB1 ALA A 14 -4.113 -1.393 -9.536 1.00 0.30 H new ATOM 0 HB2 ALA A 14 -3.214 -0.533 -10.809 1.00 0.30 H new ATOM 0 HB3 ALA A 14 -3.062 -0.021 -9.111 1.00 0.30 H new ATOM 214 N SER A 15 -6.801 -0.103 -8.664 1.00 0.27 N ATOM 215 CA SER A 15 -7.651 -0.082 -7.481 1.00 0.32 C ATOM 216 C SER A 15 -7.358 -1.272 -6.575 1.00 0.30 C ATOM 217 O SER A 15 -7.194 -2.399 -7.046 1.00 0.29 O ATOM 218 CB SER A 15 -9.126 -0.092 -7.888 1.00 0.40 C ATOM 219 OG SER A 15 -9.435 -1.244 -8.652 1.00 1.30 O ATOM 0 H SER A 15 -7.118 -0.734 -9.400 1.00 0.27 H new ATOM 0 HA SER A 15 -7.436 0.833 -6.929 1.00 0.32 H new ATOM 0 HB2 SER A 15 -9.753 -0.064 -6.997 1.00 0.40 H new ATOM 0 HB3 SER A 15 -9.353 0.804 -8.466 1.00 0.40 H new ATOM 0 HG SER A 15 -10.383 -1.228 -8.899 1.00 1.30 H new ATOM 225 N LEU A 16 -7.290 -1.015 -5.273 1.00 0.31 N ATOM 226 CA LEU A 16 -7.027 -2.068 -4.297 1.00 0.30 C ATOM 227 C LEU A 16 -8.290 -2.886 -4.056 1.00 0.29 C ATOM 228 O LEU A 16 -9.330 -2.341 -3.687 1.00 0.37 O ATOM 229 CB LEU A 16 -6.531 -1.470 -2.975 1.00 0.34 C ATOM 230 CG LEU A 16 -5.084 -0.957 -2.975 1.00 0.35 C ATOM 231 CD1 LEU A 16 -4.111 -2.086 -3.282 1.00 1.11 C ATOM 232 CD2 LEU A 16 -4.911 0.183 -3.967 1.00 0.98 C ATOM 0 H LEU A 16 -7.413 -0.087 -4.869 1.00 0.31 H new ATOM 0 HA LEU A 16 -6.250 -2.720 -4.696 1.00 0.30 H new ATOM 0 HB2 LEU A 16 -7.189 -0.645 -2.702 1.00 0.34 H new ATOM 0 HB3 LEU A 16 -6.628 -2.227 -2.197 1.00 0.34 H new ATOM 0 HG LEU A 16 -4.863 -0.576 -1.978 1.00 0.35 H new ATOM 0 HD11 LEU A 16 -3.092 -1.699 -3.277 1.00 1.11 H new ATOM 0 HD12 LEU A 16 -4.207 -2.865 -2.526 1.00 1.11 H new ATOM 0 HD13 LEU A 16 -4.336 -2.503 -4.264 1.00 1.11 H new ATOM 0 HD21 LEU A 16 -3.877 0.528 -3.948 1.00 0.98 H new ATOM 0 HD22 LEU A 16 -5.158 -0.166 -4.969 1.00 0.98 H new ATOM 0 HD23 LEU A 16 -5.573 1.005 -3.696 1.00 0.98 H new ATOM 244 N SER A 17 -8.198 -4.195 -4.271 1.00 0.21 N ATOM 245 CA SER A 17 -9.345 -5.075 -4.082 1.00 0.21 C ATOM 246 C SER A 17 -8.981 -6.297 -3.243 1.00 0.19 C ATOM 247 O SER A 17 -8.006 -6.991 -3.525 1.00 0.22 O ATOM 248 CB SER A 17 -9.888 -5.523 -5.440 1.00 0.25 C ATOM 249 OG SER A 17 -10.318 -4.411 -6.208 1.00 0.98 O ATOM 0 H SER A 17 -7.346 -4.667 -4.574 1.00 0.21 H new ATOM 0 HA SER A 17 -10.112 -4.515 -3.547 1.00 0.21 H new ATOM 0 HB2 SER A 17 -9.115 -6.067 -5.983 1.00 0.25 H new ATOM 0 HB3 SER A 17 -10.720 -6.212 -5.294 1.00 0.25 H new ATOM 0 HG SER A 17 -10.659 -4.723 -7.072 1.00 0.98 H new ATOM 255 N THR A 18 -9.775 -6.551 -2.205 1.00 0.18 N ATOM 256 CA THR A 18 -9.553 -7.693 -1.327 1.00 0.19 C ATOM 257 C THR A 18 -9.760 -9.003 -2.077 1.00 0.21 C ATOM 258 O THR A 18 -10.360 -9.025 -3.153 1.00 0.31 O ATOM 259 CB THR A 18 -10.502 -7.656 -0.115 1.00 0.18 C ATOM 260 OG1 THR A 18 -11.846 -7.925 -0.537 1.00 0.23 O ATOM 261 CG2 THR A 18 -10.447 -6.302 0.575 1.00 0.18 C ATOM 0 H THR A 18 -10.580 -5.978 -1.952 1.00 0.18 H new ATOM 0 HA THR A 18 -8.523 -7.633 -0.977 1.00 0.19 H new ATOM 0 HB THR A 18 -10.181 -8.421 0.592 1.00 0.18 H new ATOM 0 HG1 THR A 18 -12.425 -8.012 0.249 1.00 0.23 H new ATOM 0 HG21 THR A 18 -11.126 -6.300 1.428 1.00 0.18 H new ATOM 0 HG22 THR A 18 -9.431 -6.110 0.920 1.00 0.18 H new ATOM 0 HG23 THR A 18 -10.745 -5.523 -0.127 1.00 0.18 H new ATOM 269 N TYR A 19 -9.265 -10.096 -1.503 1.00 0.21 N ATOM 270 CA TYR A 19 -9.398 -11.412 -2.118 1.00 0.23 C ATOM 271 C TYR A 19 -10.838 -11.908 -2.032 1.00 0.24 C ATOM 272 O TYR A 19 -11.191 -12.929 -2.621 1.00 0.29 O ATOM 273 CB TYR A 19 -8.459 -12.412 -1.439 1.00 0.28 C ATOM 274 CG TYR A 19 -8.339 -13.730 -2.174 1.00 0.33 C ATOM 275 CD1 TYR A 19 -7.748 -13.798 -3.430 1.00 0.39 C ATOM 276 CD2 TYR A 19 -8.817 -14.905 -1.610 1.00 0.36 C ATOM 277 CE1 TYR A 19 -7.640 -15.001 -4.103 1.00 0.45 C ATOM 278 CE2 TYR A 19 -8.710 -16.112 -2.275 1.00 0.42 C ATOM 279 CZ TYR A 19 -8.112 -16.147 -3.530 1.00 0.45 C ATOM 280 OH TYR A 19 -8.013 -17.354 -4.185 1.00 0.52 O ATOM 0 H TYR A 19 -8.768 -10.096 -0.612 1.00 0.21 H new ATOM 0 HA TYR A 19 -9.125 -11.325 -3.170 1.00 0.23 H new ATOM 0 HB2 TYR A 19 -7.469 -11.964 -1.350 1.00 0.28 H new ATOM 0 HB3 TYR A 19 -8.815 -12.602 -0.427 1.00 0.28 H new ATOM 0 HD1 TYR A 19 -7.367 -12.897 -3.888 1.00 0.39 H new ATOM 0 HD2 TYR A 19 -9.280 -14.876 -0.635 1.00 0.36 H new ATOM 0 HE1 TYR A 19 -7.183 -15.034 -5.081 1.00 0.45 H new ATOM 0 HE2 TYR A 19 -9.087 -17.018 -1.825 1.00 0.42 H new ATOM 0 HH TYR A 19 -8.400 -18.061 -3.628 1.00 0.52 H new ATOM 290 N ASN A 20 -11.667 -11.174 -1.297 1.00 0.22 N ATOM 291 CA ASN A 20 -13.070 -11.536 -1.132 1.00 0.27 C ATOM 292 C ASN A 20 -13.921 -10.919 -2.240 1.00 0.26 C ATOM 293 O ASN A 20 -15.129 -10.738 -2.083 1.00 0.30 O ATOM 294 CB ASN A 20 -13.573 -11.076 0.239 1.00 0.32 C ATOM 295 CG ASN A 20 -14.947 -11.629 0.572 1.00 1.21 C ATOM 296 OD1 ASN A 20 -15.307 -12.727 0.146 1.00 2.23 O ATOM 297 ND2 ASN A 20 -15.719 -10.868 1.335 1.00 1.58 N ATOM 0 H ASN A 20 -11.391 -10.324 -0.806 1.00 0.22 H new ATOM 0 HA ASN A 20 -13.157 -12.621 -1.197 1.00 0.27 H new ATOM 0 HB2 ASN A 20 -12.864 -11.388 1.006 1.00 0.32 H new ATOM 0 HB3 ASN A 20 -13.608 -9.987 0.262 1.00 0.32 H new ATOM 0 HD21 ASN A 20 -16.654 -11.186 1.592 1.00 1.58 H new ATOM 0 HD22 ASN A 20 -15.378 -9.965 1.665 1.00 1.58 H new ATOM 304 N ASP A 21 -13.278 -10.599 -3.360 1.00 0.26 N ATOM 305 CA ASP A 21 -13.966 -10.002 -4.502 1.00 0.30 C ATOM 306 C ASP A 21 -14.617 -8.675 -4.121 1.00 0.31 C ATOM 307 O ASP A 21 -15.708 -8.350 -4.591 1.00 0.54 O ATOM 308 CB ASP A 21 -15.025 -10.963 -5.050 1.00 0.36 C ATOM 309 CG ASP A 21 -14.443 -12.312 -5.425 1.00 1.14 C ATOM 310 OD1 ASP A 21 -14.362 -13.189 -4.541 1.00 2.07 O ATOM 311 OD2 ASP A 21 -14.067 -12.489 -6.603 1.00 1.01 O ATOM 0 H ASP A 21 -12.278 -10.744 -3.501 1.00 0.26 H new ATOM 0 HA ASP A 21 -13.223 -9.810 -5.276 1.00 0.30 H new ATOM 0 HB2 ASP A 21 -15.806 -11.103 -4.303 1.00 0.36 H new ATOM 0 HB3 ASP A 21 -15.497 -10.518 -5.926 1.00 0.36 H new ATOM 316 N GLN A 22 -13.941 -7.911 -3.268 1.00 0.22 N ATOM 317 CA GLN A 22 -14.453 -6.617 -2.827 1.00 0.21 C ATOM 318 C GLN A 22 -13.435 -5.513 -3.096 1.00 0.20 C ATOM 319 O GLN A 22 -12.228 -5.745 -3.042 1.00 0.29 O ATOM 320 CB GLN A 22 -14.797 -6.657 -1.336 1.00 0.22 C ATOM 321 CG GLN A 22 -15.827 -7.718 -0.977 1.00 0.30 C ATOM 322 CD GLN A 22 -16.229 -7.676 0.486 1.00 0.37 C ATOM 323 OE1 GLN A 22 -17.356 -8.026 0.839 1.00 1.13 O ATOM 324 NE2 GLN A 22 -15.311 -7.250 1.347 1.00 1.17 N ATOM 0 H GLN A 22 -13.038 -8.165 -2.868 1.00 0.22 H new ATOM 0 HA GLN A 22 -15.359 -6.401 -3.393 1.00 0.21 H new ATOM 0 HB2 GLN A 22 -13.886 -6.839 -0.766 1.00 0.22 H new ATOM 0 HB3 GLN A 22 -15.173 -5.680 -1.032 1.00 0.22 H new ATOM 0 HG2 GLN A 22 -16.713 -7.582 -1.597 1.00 0.30 H new ATOM 0 HG3 GLN A 22 -15.423 -8.703 -1.210 1.00 0.30 H new ATOM 0 HE21 GLN A 22 -14.389 -6.969 1.012 1.00 1.17 H new ATOM 0 HE22 GLN A 22 -15.528 -7.204 2.343 1.00 1.17 H new ATOM 333 N SER A 23 -13.928 -4.315 -3.392 1.00 0.29 N ATOM 334 CA SER A 23 -13.056 -3.179 -3.671 1.00 0.31 C ATOM 335 C SER A 23 -12.947 -2.261 -2.456 1.00 0.26 C ATOM 336 O SER A 23 -13.864 -2.185 -1.638 1.00 0.23 O ATOM 337 CB SER A 23 -13.582 -2.389 -4.872 1.00 0.37 C ATOM 338 OG SER A 23 -13.589 -3.188 -6.042 1.00 1.17 O ATOM 0 H SER A 23 -14.925 -4.105 -3.445 1.00 0.29 H new ATOM 0 HA SER A 23 -12.063 -3.566 -3.902 1.00 0.31 H new ATOM 0 HB2 SER A 23 -14.591 -2.034 -4.664 1.00 0.37 H new ATOM 0 HB3 SER A 23 -12.961 -1.508 -5.033 1.00 0.37 H new ATOM 0 HG SER A 23 -13.299 -2.649 -6.808 1.00 1.17 H new ATOM 344 N ILE A 24 -11.818 -1.566 -2.346 1.00 0.28 N ATOM 345 CA ILE A 24 -11.584 -0.653 -1.233 1.00 0.26 C ATOM 346 C ILE A 24 -12.077 0.752 -1.567 1.00 0.26 C ATOM 347 O ILE A 24 -11.496 1.440 -2.405 1.00 0.45 O ATOM 348 CB ILE A 24 -10.085 -0.582 -0.874 1.00 0.29 C ATOM 349 CG1 ILE A 24 -9.515 -1.987 -0.646 1.00 0.32 C ATOM 350 CG2 ILE A 24 -9.871 0.294 0.354 1.00 0.31 C ATOM 351 CD1 ILE A 24 -10.118 -2.714 0.536 1.00 0.31 C ATOM 0 H ILE A 24 -11.050 -1.618 -3.016 1.00 0.28 H new ATOM 0 HA ILE A 24 -12.140 -1.041 -0.379 1.00 0.26 H new ATOM 0 HB ILE A 24 -9.552 -0.132 -1.712 1.00 0.29 H new ATOM 0 HG12 ILE A 24 -9.675 -2.582 -1.545 1.00 0.32 H new ATOM 0 HG13 ILE A 24 -8.437 -1.911 -0.501 1.00 0.32 H new ATOM 0 HG21 ILE A 24 -8.808 0.333 0.593 1.00 0.31 H new ATOM 0 HG22 ILE A 24 -10.234 1.301 0.150 1.00 0.31 H new ATOM 0 HG23 ILE A 24 -10.418 -0.124 1.199 1.00 0.31 H new ATOM 0 HD11 ILE A 24 -9.661 -3.699 0.629 1.00 0.31 H new ATOM 0 HD12 ILE A 24 -9.936 -2.143 1.446 1.00 0.31 H new ATOM 0 HD13 ILE A 24 -11.192 -2.824 0.386 1.00 0.31 H new ATOM 363 N THR A 25 -13.151 1.171 -0.905 1.00 0.32 N ATOM 364 CA THR A 25 -13.718 2.495 -1.131 1.00 0.35 C ATOM 365 C THR A 25 -13.092 3.525 -0.197 1.00 0.38 C ATOM 366 O THR A 25 -12.999 3.308 1.011 1.00 0.46 O ATOM 367 CB THR A 25 -15.246 2.490 -0.926 1.00 0.40 C ATOM 368 OG1 THR A 25 -15.855 1.559 -1.827 1.00 0.40 O ATOM 369 CG2 THR A 25 -15.831 3.876 -1.149 1.00 0.44 C ATOM 0 H THR A 25 -13.645 0.613 -0.209 1.00 0.32 H new ATOM 0 HA THR A 25 -13.498 2.766 -2.164 1.00 0.35 H new ATOM 0 HB THR A 25 -15.451 2.191 0.102 1.00 0.40 H new ATOM 0 HG1 THR A 25 -16.826 1.695 -1.831 1.00 0.40 H new ATOM 0 HG21 THR A 25 -16.910 3.844 -0.998 1.00 0.44 H new ATOM 0 HG22 THR A 25 -15.386 4.577 -0.442 1.00 0.44 H new ATOM 0 HG23 THR A 25 -15.616 4.202 -2.167 1.00 0.44 H new ATOM 377 N PHE A 26 -12.663 4.649 -0.764 1.00 0.37 N ATOM 378 CA PHE A 26 -12.047 5.714 0.019 1.00 0.40 C ATOM 379 C PHE A 26 -12.985 6.910 0.141 1.00 0.48 C ATOM 380 O PHE A 26 -12.989 7.799 -0.711 1.00 0.52 O ATOM 381 CB PHE A 26 -10.726 6.148 -0.619 1.00 0.39 C ATOM 382 CG PHE A 26 -9.702 5.049 -0.685 1.00 0.36 C ATOM 383 CD1 PHE A 26 -9.664 4.184 -1.766 1.00 0.38 C ATOM 384 CD2 PHE A 26 -8.781 4.879 0.337 1.00 0.37 C ATOM 385 CE1 PHE A 26 -8.725 3.171 -1.829 1.00 0.40 C ATOM 386 CE2 PHE A 26 -7.840 3.869 0.280 1.00 0.38 C ATOM 387 CZ PHE A 26 -7.813 3.013 -0.805 1.00 0.39 C ATOM 0 H PHE A 26 -12.731 4.845 -1.763 1.00 0.37 H new ATOM 0 HA PHE A 26 -11.848 5.328 1.019 1.00 0.40 H new ATOM 0 HB2 PHE A 26 -10.921 6.513 -1.627 1.00 0.39 H new ATOM 0 HB3 PHE A 26 -10.315 6.983 -0.052 1.00 0.39 H new ATOM 0 HD1 PHE A 26 -10.376 4.302 -2.569 1.00 0.38 H new ATOM 0 HD2 PHE A 26 -8.799 5.544 1.188 1.00 0.37 H new ATOM 0 HE1 PHE A 26 -8.705 2.504 -2.678 1.00 0.40 H new ATOM 0 HE2 PHE A 26 -7.127 3.748 1.082 1.00 0.38 H new ATOM 0 HZ PHE A 26 -7.079 2.222 -0.851 1.00 0.39 H new ATOM 397 N ALA A 27 -13.783 6.925 1.205 1.00 0.53 N ATOM 398 CA ALA A 27 -14.726 8.012 1.440 1.00 0.62 C ATOM 399 C ALA A 27 -14.017 9.239 2.001 1.00 0.64 C ATOM 400 O ALA A 27 -13.616 9.259 3.165 1.00 0.65 O ATOM 401 CB ALA A 27 -15.831 7.560 2.383 1.00 0.65 C ATOM 0 H ALA A 27 -13.795 6.196 1.918 1.00 0.53 H new ATOM 0 HA ALA A 27 -15.172 8.287 0.484 1.00 0.62 H new ATOM 0 HB1 ALA A 27 -16.527 8.382 2.549 1.00 0.65 H new ATOM 0 HB2 ALA A 27 -16.363 6.717 1.942 1.00 0.65 H new ATOM 0 HB3 ALA A 27 -15.395 7.256 3.335 1.00 0.65 H new ATOM 407 N LEU A 28 -13.868 10.261 1.166 1.00 0.79 N ATOM 408 CA LEU A 28 -13.201 11.493 1.575 1.00 0.88 C ATOM 409 C LEU A 28 -14.216 12.541 2.026 1.00 0.88 C ATOM 410 O LEU A 28 -14.781 13.267 1.208 1.00 1.02 O ATOM 411 CB LEU A 28 -12.356 12.041 0.423 1.00 1.22 C ATOM 412 CG LEU A 28 -11.210 11.131 -0.027 1.00 1.08 C ATOM 413 CD1 LEU A 28 -10.676 11.569 -1.381 1.00 1.52 C ATOM 414 CD2 LEU A 28 -10.094 11.130 1.006 1.00 1.17 C ATOM 0 H LEU A 28 -14.200 10.262 0.201 1.00 0.79 H new ATOM 0 HA LEU A 28 -12.550 11.264 2.419 1.00 0.88 H new ATOM 0 HB2 LEU A 28 -13.009 12.227 -0.430 1.00 1.22 H new ATOM 0 HB3 LEU A 28 -11.940 13.003 0.723 1.00 1.22 H new ATOM 0 HG LEU A 28 -11.597 10.117 -0.122 1.00 1.08 H new ATOM 0 HD11 LEU A 28 -9.862 10.909 -1.682 1.00 1.52 H new ATOM 0 HD12 LEU A 28 -11.475 11.520 -2.120 1.00 1.52 H new ATOM 0 HD13 LEU A 28 -10.307 12.592 -1.313 1.00 1.52 H new ATOM 0 HD21 LEU A 28 -9.288 10.478 0.670 1.00 1.17 H new ATOM 0 HD22 LEU A 28 -9.713 12.144 1.131 1.00 1.17 H new ATOM 0 HD23 LEU A 28 -10.480 10.768 1.959 1.00 1.17 H new ATOM 426 N GLU A 29 -14.441 12.611 3.335 1.00 0.83 N ATOM 427 CA GLU A 29 -15.382 13.570 3.902 1.00 0.96 C ATOM 428 C GLU A 29 -14.802 14.981 3.863 1.00 1.04 C ATOM 429 O GLU A 29 -13.751 15.211 3.264 1.00 1.03 O ATOM 430 CB GLU A 29 -15.732 13.190 5.341 1.00 1.00 C ATOM 431 CG GLU A 29 -16.312 11.791 5.480 1.00 1.07 C ATOM 432 CD GLU A 29 -17.577 11.598 4.665 1.00 1.79 C ATOM 433 OE1 GLU A 29 -18.668 11.925 5.176 1.00 2.32 O ATOM 434 OE2 GLU A 29 -17.474 11.120 3.515 1.00 2.42 O ATOM 0 H GLU A 29 -13.983 12.014 4.023 1.00 0.83 H new ATOM 0 HA GLU A 29 -16.291 13.549 3.301 1.00 0.96 H new ATOM 0 HB2 GLU A 29 -14.835 13.264 5.956 1.00 1.00 H new ATOM 0 HB3 GLU A 29 -16.448 13.911 5.734 1.00 1.00 H new ATOM 0 HG2 GLU A 29 -15.567 11.060 5.165 1.00 1.07 H new ATOM 0 HG3 GLU A 29 -16.528 11.594 6.530 1.00 1.07 H new ATOM 441 N ASP A 30 -15.491 15.924 4.501 1.00 1.19 N ATOM 442 CA ASP A 30 -15.035 17.310 4.534 1.00 1.30 C ATOM 443 C ASP A 30 -13.617 17.399 5.094 1.00 1.12 C ATOM 444 O ASP A 30 -12.820 18.233 4.664 1.00 1.19 O ATOM 445 CB ASP A 30 -15.988 18.164 5.374 1.00 1.51 C ATOM 446 CG ASP A 30 -15.578 19.624 5.410 1.00 1.91 C ATOM 447 OD1 ASP A 30 -15.923 20.361 4.464 1.00 2.03 O ATOM 448 OD2 ASP A 30 -14.911 20.031 6.386 1.00 2.56 O ATOM 0 H ASP A 30 -16.364 15.754 5.000 1.00 1.19 H new ATOM 0 HA ASP A 30 -15.028 17.691 3.513 1.00 1.30 H new ATOM 0 HB2 ASP A 30 -16.997 18.083 4.969 1.00 1.51 H new ATOM 0 HB3 ASP A 30 -16.020 17.773 6.391 1.00 1.51 H new ATOM 453 N GLU A 31 -13.311 16.529 6.053 1.00 0.94 N ATOM 454 CA GLU A 31 -11.990 16.504 6.671 1.00 0.83 C ATOM 455 C GLU A 31 -11.755 15.183 7.397 1.00 0.75 C ATOM 456 O GLU A 31 -10.739 15.003 8.068 1.00 0.74 O ATOM 457 CB GLU A 31 -11.834 17.673 7.645 1.00 0.84 C ATOM 458 CG GLU A 31 -12.852 17.664 8.776 1.00 0.91 C ATOM 459 CD GLU A 31 -12.670 18.828 9.729 1.00 0.99 C ATOM 460 OE1 GLU A 31 -13.259 19.901 9.476 1.00 0.95 O ATOM 461 OE2 GLU A 31 -11.941 18.667 10.730 1.00 1.15 O ATOM 0 H GLU A 31 -13.960 15.832 6.418 1.00 0.94 H new ATOM 0 HA GLU A 31 -11.245 16.601 5.881 1.00 0.83 H new ATOM 0 HB2 GLU A 31 -10.831 17.649 8.070 1.00 0.84 H new ATOM 0 HB3 GLU A 31 -11.924 18.609 7.094 1.00 0.84 H new ATOM 0 HG2 GLU A 31 -13.857 17.696 8.356 1.00 0.91 H new ATOM 0 HG3 GLU A 31 -12.767 16.729 9.329 1.00 0.91 H new ATOM 468 N SER A 32 -12.703 14.262 7.253 1.00 0.75 N ATOM 469 CA SER A 32 -12.607 12.955 7.892 1.00 0.72 C ATOM 470 C SER A 32 -12.264 11.878 6.869 1.00 0.67 C ATOM 471 O SER A 32 -12.966 11.714 5.869 1.00 0.83 O ATOM 472 CB SER A 32 -13.922 12.612 8.594 1.00 0.84 C ATOM 473 OG SER A 32 -13.844 11.352 9.240 1.00 1.53 O ATOM 0 H SER A 32 -13.548 14.398 6.698 1.00 0.75 H new ATOM 0 HA SER A 32 -11.809 12.994 8.633 1.00 0.72 H new ATOM 0 HB2 SER A 32 -14.159 13.385 9.325 1.00 0.84 H new ATOM 0 HB3 SER A 32 -14.734 12.601 7.867 1.00 0.84 H new ATOM 0 HG SER A 32 -14.697 11.158 9.682 1.00 1.53 H new ATOM 479 N TYR A 33 -11.185 11.146 7.123 1.00 0.57 N ATOM 480 CA TYR A 33 -10.751 10.088 6.220 1.00 0.50 C ATOM 481 C TYR A 33 -11.452 8.772 6.536 1.00 0.46 C ATOM 482 O TYR A 33 -10.958 7.965 7.324 1.00 0.59 O ATOM 483 CB TYR A 33 -9.234 9.905 6.308 1.00 0.53 C ATOM 484 CG TYR A 33 -8.454 11.167 6.018 1.00 0.60 C ATOM 485 CD1 TYR A 33 -8.229 11.582 4.712 1.00 0.58 C ATOM 486 CD2 TYR A 33 -7.943 11.942 7.053 1.00 0.72 C ATOM 487 CE1 TYR A 33 -7.515 12.733 4.444 1.00 0.67 C ATOM 488 CE2 TYR A 33 -7.227 13.095 6.791 1.00 0.80 C ATOM 489 CZ TYR A 33 -7.023 13.492 5.492 1.00 0.76 C ATOM 490 OH TYR A 33 -6.305 14.633 5.221 1.00 0.86 O ATOM 0 H TYR A 33 -10.595 11.266 7.947 1.00 0.57 H new ATOM 0 HA TYR A 33 -11.019 10.383 5.205 1.00 0.50 H new ATOM 0 HB2 TYR A 33 -8.977 9.550 7.306 1.00 0.53 H new ATOM 0 HB3 TYR A 33 -8.929 9.130 5.605 1.00 0.53 H new ATOM 0 HD1 TYR A 33 -8.619 10.995 3.893 1.00 0.58 H new ATOM 0 HD2 TYR A 33 -8.108 11.639 8.076 1.00 0.72 H new ATOM 0 HE1 TYR A 33 -7.341 13.039 3.423 1.00 0.67 H new ATOM 0 HE2 TYR A 33 -6.829 13.682 7.605 1.00 0.80 H new ATOM 0 HH TYR A 33 -6.030 15.054 6.062 1.00 0.86 H new ATOM 500 N GLU A 34 -12.609 8.564 5.916 1.00 0.46 N ATOM 501 CA GLU A 34 -13.379 7.345 6.122 1.00 0.42 C ATOM 502 C GLU A 34 -13.073 6.330 5.026 1.00 0.39 C ATOM 503 O GLU A 34 -13.207 6.628 3.841 1.00 0.46 O ATOM 504 CB GLU A 34 -14.876 7.656 6.141 1.00 0.50 C ATOM 505 CG GLU A 34 -15.288 8.612 7.250 1.00 0.55 C ATOM 506 CD GLU A 34 -15.057 8.036 8.633 1.00 1.50 C ATOM 507 OE1 GLU A 34 -13.924 8.159 9.144 1.00 2.46 O ATOM 508 OE2 GLU A 34 -16.007 7.461 9.203 1.00 1.48 O ATOM 0 H GLU A 34 -13.034 9.226 5.266 1.00 0.46 H new ATOM 0 HA GLU A 34 -13.096 6.920 7.085 1.00 0.42 H new ATOM 0 HB2 GLU A 34 -15.161 8.084 5.180 1.00 0.50 H new ATOM 0 HB3 GLU A 34 -15.430 6.724 6.252 1.00 0.50 H new ATOM 0 HG2 GLU A 34 -14.728 9.542 7.150 1.00 0.55 H new ATOM 0 HG3 GLU A 34 -16.343 8.861 7.136 1.00 0.55 H new ATOM 515 N ILE A 35 -12.657 5.135 5.429 1.00 0.34 N ATOM 516 CA ILE A 35 -12.330 4.084 4.474 1.00 0.32 C ATOM 517 C ILE A 35 -13.120 2.814 4.765 1.00 0.26 C ATOM 518 O ILE A 35 -13.244 2.398 5.916 1.00 0.32 O ATOM 519 CB ILE A 35 -10.826 3.756 4.493 1.00 0.39 C ATOM 520 CG1 ILE A 35 -10.001 5.034 4.296 1.00 0.46 C ATOM 521 CG2 ILE A 35 -10.495 2.730 3.418 1.00 0.44 C ATOM 522 CD1 ILE A 35 -8.509 4.825 4.458 1.00 0.54 C ATOM 0 H ILE A 35 -12.539 4.871 6.407 1.00 0.34 H new ATOM 0 HA ILE A 35 -12.599 4.458 3.486 1.00 0.32 H new ATOM 0 HB ILE A 35 -10.572 3.329 5.463 1.00 0.39 H new ATOM 0 HG12 ILE A 35 -10.197 5.433 3.301 1.00 0.46 H new ATOM 0 HG13 ILE A 35 -10.334 5.785 5.012 1.00 0.46 H new ATOM 0 HG21 ILE A 35 -9.428 2.508 3.443 1.00 0.44 H new ATOM 0 HG22 ILE A 35 -11.060 1.816 3.601 1.00 0.44 H new ATOM 0 HG23 ILE A 35 -10.759 3.130 2.439 1.00 0.44 H new ATOM 0 HD11 ILE A 35 -7.990 5.771 4.305 1.00 0.54 H new ATOM 0 HD12 ILE A 35 -8.300 4.455 5.462 1.00 0.54 H new ATOM 0 HD13 ILE A 35 -8.162 4.098 3.724 1.00 0.54 H new ATOM 534 N TYR A 36 -13.655 2.206 3.712 1.00 0.21 N ATOM 535 CA TYR A 36 -14.431 0.979 3.846 1.00 0.21 C ATOM 536 C TYR A 36 -14.187 0.053 2.662 1.00 0.23 C ATOM 537 O TYR A 36 -13.459 0.397 1.730 1.00 0.48 O ATOM 538 CB TYR A 36 -15.924 1.301 3.951 1.00 0.29 C ATOM 539 CG TYR A 36 -16.286 2.133 5.161 1.00 1.07 C ATOM 540 CD1 TYR A 36 -16.397 1.554 6.419 1.00 2.26 C ATOM 541 CD2 TYR A 36 -16.517 3.499 5.045 1.00 0.96 C ATOM 542 CE1 TYR A 36 -16.729 2.312 7.526 1.00 3.30 C ATOM 543 CE2 TYR A 36 -16.849 4.263 6.145 1.00 1.97 C ATOM 544 CZ TYR A 36 -16.954 3.665 7.384 1.00 3.14 C ATOM 545 OH TYR A 36 -17.285 4.422 8.484 1.00 4.17 O ATOM 0 H TYR A 36 -13.565 2.544 2.754 1.00 0.21 H new ATOM 0 HA TYR A 36 -14.109 0.474 4.757 1.00 0.21 H new ATOM 0 HB2 TYR A 36 -16.236 1.831 3.051 1.00 0.29 H new ATOM 0 HB3 TYR A 36 -16.486 0.368 3.982 1.00 0.29 H new ATOM 0 HD1 TYR A 36 -16.221 0.495 6.534 1.00 2.26 H new ATOM 0 HD2 TYR A 36 -16.435 3.971 4.077 1.00 0.96 H new ATOM 0 HE1 TYR A 36 -16.812 1.847 8.497 1.00 3.30 H new ATOM 0 HE2 TYR A 36 -17.026 5.323 6.037 1.00 1.97 H new ATOM 0 HH TYR A 36 -17.409 5.356 8.213 1.00 4.17 H new ATOM 555 N VAL A 37 -14.796 -1.127 2.707 1.00 0.19 N ATOM 556 CA VAL A 37 -14.655 -2.106 1.636 1.00 0.17 C ATOM 557 C VAL A 37 -16.025 -2.517 1.106 1.00 0.18 C ATOM 558 O VAL A 37 -16.737 -3.297 1.738 1.00 0.27 O ATOM 559 CB VAL A 37 -13.907 -3.366 2.115 1.00 0.21 C ATOM 560 CG1 VAL A 37 -13.662 -4.319 0.956 1.00 0.24 C ATOM 561 CG2 VAL A 37 -12.596 -2.991 2.788 1.00 0.24 C ATOM 0 H VAL A 37 -15.394 -1.429 3.476 1.00 0.19 H new ATOM 0 HA VAL A 37 -14.076 -1.634 0.843 1.00 0.17 H new ATOM 0 HB VAL A 37 -14.533 -3.874 2.848 1.00 0.21 H new ATOM 0 HG11 VAL A 37 -13.133 -5.201 1.316 1.00 0.24 H new ATOM 0 HG12 VAL A 37 -14.617 -4.619 0.524 1.00 0.24 H new ATOM 0 HG13 VAL A 37 -13.061 -3.820 0.196 1.00 0.24 H new ATOM 0 HG21 VAL A 37 -12.085 -3.895 3.118 1.00 0.24 H new ATOM 0 HG22 VAL A 37 -11.964 -2.455 2.080 1.00 0.24 H new ATOM 0 HG23 VAL A 37 -12.798 -2.354 3.649 1.00 0.24 H new ATOM 571 N GLU A 38 -16.392 -1.986 -0.057 1.00 0.24 N ATOM 572 CA GLU A 38 -17.682 -2.296 -0.667 1.00 0.27 C ATOM 573 C GLU A 38 -17.563 -3.462 -1.643 1.00 0.31 C ATOM 574 O GLU A 38 -16.592 -3.564 -2.392 1.00 0.39 O ATOM 575 CB GLU A 38 -18.241 -1.066 -1.385 1.00 0.29 C ATOM 576 CG GLU A 38 -18.521 0.107 -0.458 1.00 0.33 C ATOM 577 CD GLU A 38 -19.197 1.265 -1.167 1.00 1.05 C ATOM 578 OE1 GLU A 38 -18.479 2.113 -1.738 1.00 2.07 O ATOM 579 OE2 GLU A 38 -20.445 1.325 -1.150 1.00 0.89 O ATOM 0 H GLU A 38 -15.815 -1.340 -0.596 1.00 0.24 H new ATOM 0 HA GLU A 38 -18.368 -2.586 0.129 1.00 0.27 H new ATOM 0 HB2 GLU A 38 -17.534 -0.751 -2.152 1.00 0.29 H new ATOM 0 HB3 GLU A 38 -19.163 -1.342 -1.896 1.00 0.29 H new ATOM 0 HG2 GLU A 38 -19.152 -0.228 0.365 1.00 0.33 H new ATOM 0 HG3 GLU A 38 -17.584 0.451 -0.021 1.00 0.33 H new ATOM 586 N ASP A 39 -18.560 -4.341 -1.627 1.00 0.35 N ATOM 587 CA ASP A 39 -18.571 -5.501 -2.509 1.00 0.43 C ATOM 588 C ASP A 39 -19.183 -5.150 -3.863 1.00 0.47 C ATOM 589 O ASP A 39 -20.218 -4.490 -3.933 1.00 0.61 O ATOM 590 CB ASP A 39 -19.349 -6.652 -1.867 1.00 0.52 C ATOM 591 CG ASP A 39 -19.440 -7.865 -2.772 1.00 1.42 C ATOM 592 OD1 ASP A 39 -20.404 -7.946 -3.563 1.00 2.20 O ATOM 593 OD2 ASP A 39 -18.546 -8.733 -2.693 1.00 1.91 O ATOM 0 H ASP A 39 -19.371 -4.271 -1.012 1.00 0.35 H new ATOM 0 HA ASP A 39 -17.539 -5.814 -2.667 1.00 0.43 H new ATOM 0 HB2 ASP A 39 -18.867 -6.936 -0.932 1.00 0.52 H new ATOM 0 HB3 ASP A 39 -20.354 -6.312 -1.617 1.00 0.52 H new ATOM 598 N LEU A 40 -18.533 -5.598 -4.932 1.00 0.46 N ATOM 599 CA LEU A 40 -19.011 -5.331 -6.284 1.00 0.53 C ATOM 600 C LEU A 40 -20.024 -6.381 -6.726 1.00 0.57 C ATOM 601 O LEU A 40 -19.860 -7.571 -6.450 1.00 0.62 O ATOM 602 CB LEU A 40 -17.839 -5.294 -7.268 1.00 0.62 C ATOM 603 CG LEU A 40 -16.878 -4.118 -7.097 1.00 0.86 C ATOM 604 CD1 LEU A 40 -15.690 -4.261 -8.035 1.00 1.05 C ATOM 605 CD2 LEU A 40 -17.598 -2.801 -7.349 1.00 1.02 C ATOM 0 H LEU A 40 -17.675 -6.147 -4.889 1.00 0.46 H new ATOM 0 HA LEU A 40 -19.503 -4.358 -6.277 1.00 0.53 H new ATOM 0 HB2 LEU A 40 -17.274 -6.221 -7.169 1.00 0.62 H new ATOM 0 HB3 LEU A 40 -18.238 -5.271 -8.282 1.00 0.62 H new ATOM 0 HG LEU A 40 -16.510 -4.120 -6.071 1.00 0.86 H new ATOM 0 HD11 LEU A 40 -15.016 -3.415 -7.900 1.00 1.05 H new ATOM 0 HD12 LEU A 40 -15.160 -5.187 -7.812 1.00 1.05 H new ATOM 0 HD13 LEU A 40 -16.042 -4.284 -9.067 1.00 1.05 H new ATOM 0 HD21 LEU A 40 -16.899 -1.974 -7.223 1.00 1.02 H new ATOM 0 HD22 LEU A 40 -17.993 -2.791 -8.365 1.00 1.02 H new ATOM 0 HD23 LEU A 40 -18.419 -2.693 -6.640 1.00 1.02 H new ATOM 617 N LYS A 41 -21.067 -5.932 -7.412 1.00 0.84 N ATOM 618 CA LYS A 41 -22.111 -6.827 -7.899 1.00 1.06 C ATOM 619 C LYS A 41 -22.376 -6.584 -9.381 1.00 1.17 C ATOM 620 O LYS A 41 -22.429 -7.521 -10.177 1.00 1.58 O ATOM 621 CB LYS A 41 -23.396 -6.631 -7.096 1.00 1.22 C ATOM 622 CG LYS A 41 -23.230 -6.899 -5.609 1.00 1.38 C ATOM 623 CD LYS A 41 -24.541 -6.722 -4.860 1.00 1.63 C ATOM 624 CE LYS A 41 -24.375 -6.977 -3.372 1.00 1.68 C ATOM 625 NZ LYS A 41 -23.890 -8.357 -3.097 1.00 2.27 N ATOM 0 H LYS A 41 -21.214 -4.950 -7.645 1.00 0.84 H new ATOM 0 HA LYS A 41 -21.770 -7.854 -7.771 1.00 1.06 H new ATOM 0 HB2 LYS A 41 -23.750 -5.609 -7.235 1.00 1.22 H new ATOM 0 HB3 LYS A 41 -24.167 -7.292 -7.492 1.00 1.22 H new ATOM 0 HG2 LYS A 41 -22.859 -7.913 -5.460 1.00 1.38 H new ATOM 0 HG3 LYS A 41 -22.481 -6.222 -5.198 1.00 1.38 H new ATOM 0 HD2 LYS A 41 -24.916 -5.711 -5.017 1.00 1.63 H new ATOM 0 HD3 LYS A 41 -25.287 -7.405 -5.266 1.00 1.63 H new ATOM 0 HE2 LYS A 41 -23.672 -6.255 -2.956 1.00 1.68 H new ATOM 0 HE3 LYS A 41 -25.329 -6.820 -2.868 1.00 1.68 H new ATOM 0 HZ1 LYS A 41 -23.998 -8.567 -2.084 1.00 2.27 H new ATOM 0 HZ2 LYS A 41 -24.446 -9.038 -3.653 1.00 2.27 H new ATOM 0 HZ3 LYS A 41 -22.887 -8.432 -3.361 1.00 2.27 H new ATOM 639 N LYS A 42 -22.543 -5.315 -9.742 1.00 1.21 N ATOM 640 CA LYS A 42 -22.799 -4.937 -11.128 1.00 1.37 C ATOM 641 C LYS A 42 -21.545 -4.343 -11.760 1.00 1.45 C ATOM 642 O LYS A 42 -20.497 -4.254 -11.118 1.00 1.51 O ATOM 643 CB LYS A 42 -23.949 -3.928 -11.207 1.00 1.51 C ATOM 644 CG LYS A 42 -25.331 -4.550 -11.042 1.00 1.51 C ATOM 645 CD LYS A 42 -25.537 -5.112 -9.643 1.00 1.81 C ATOM 646 CE LYS A 42 -26.928 -5.702 -9.479 1.00 1.87 C ATOM 647 NZ LYS A 42 -27.204 -6.763 -10.487 1.00 2.49 N ATOM 0 H LYS A 42 -22.505 -4.530 -9.092 1.00 1.21 H new ATOM 0 HA LYS A 42 -23.080 -5.835 -11.678 1.00 1.37 H new ATOM 0 HB2 LYS A 42 -23.808 -3.171 -10.436 1.00 1.51 H new ATOM 0 HB3 LYS A 42 -23.904 -3.416 -12.168 1.00 1.51 H new ATOM 0 HG2 LYS A 42 -26.094 -3.799 -11.248 1.00 1.51 H new ATOM 0 HG3 LYS A 42 -25.461 -5.346 -11.776 1.00 1.51 H new ATOM 0 HD2 LYS A 42 -24.789 -5.880 -9.444 1.00 1.81 H new ATOM 0 HD3 LYS A 42 -25.386 -4.322 -8.907 1.00 1.81 H new ATOM 0 HE2 LYS A 42 -27.030 -6.118 -8.477 1.00 1.87 H new ATOM 0 HE3 LYS A 42 -27.671 -4.910 -9.572 1.00 1.87 H new ATOM 0 HZ1 LYS A 42 -28.049 -7.299 -10.204 1.00 2.49 H new ATOM 0 HZ2 LYS A 42 -27.367 -6.325 -11.416 1.00 2.49 H new ATOM 0 HZ3 LYS A 42 -26.389 -7.407 -10.546 1.00 2.49 H new ATOM 661 N ASP A 43 -21.655 -3.939 -13.023 1.00 1.86 N ATOM 662 CA ASP A 43 -20.528 -3.354 -13.738 1.00 2.00 C ATOM 663 C ASP A 43 -20.327 -1.899 -13.328 1.00 1.95 C ATOM 664 O ASP A 43 -20.658 -0.980 -14.076 1.00 2.34 O ATOM 665 CB ASP A 43 -20.751 -3.448 -15.249 1.00 2.46 C ATOM 666 CG ASP A 43 -19.531 -3.022 -16.043 1.00 2.78 C ATOM 667 OD1 ASP A 43 -19.413 -1.816 -16.349 1.00 3.40 O ATOM 668 OD2 ASP A 43 -18.693 -3.891 -16.359 1.00 2.94 O ATOM 0 H ASP A 43 -22.513 -4.007 -13.571 1.00 1.86 H new ATOM 0 HA ASP A 43 -19.630 -3.914 -13.478 1.00 2.00 H new ATOM 0 HB2 ASP A 43 -21.012 -4.473 -15.512 1.00 2.46 H new ATOM 0 HB3 ASP A 43 -21.599 -2.822 -15.528 1.00 2.46 H new ATOM 673 N GLU A 44 -19.782 -1.700 -12.131 1.00 1.52 N ATOM 674 CA GLU A 44 -19.538 -0.360 -11.613 1.00 1.51 C ATOM 675 C GLU A 44 -18.063 -0.176 -11.271 1.00 1.33 C ATOM 676 O GLU A 44 -17.452 -1.033 -10.634 1.00 1.10 O ATOM 677 CB GLU A 44 -20.401 -0.103 -10.376 1.00 1.42 C ATOM 678 CG GLU A 44 -21.893 -0.244 -10.637 1.00 1.69 C ATOM 679 CD GLU A 44 -22.731 0.014 -9.400 1.00 2.24 C ATOM 680 OE1 GLU A 44 -23.099 1.183 -9.166 1.00 2.42 O ATOM 681 OE2 GLU A 44 -23.020 -0.955 -8.667 1.00 2.84 O ATOM 0 H GLU A 44 -19.501 -2.452 -11.502 1.00 1.52 H new ATOM 0 HA GLU A 44 -19.807 0.360 -12.386 1.00 1.51 H new ATOM 0 HB2 GLU A 44 -20.111 -0.799 -9.589 1.00 1.42 H new ATOM 0 HB3 GLU A 44 -20.199 0.901 -10.004 1.00 1.42 H new ATOM 0 HG2 GLU A 44 -22.188 0.452 -11.422 1.00 1.69 H new ATOM 0 HG3 GLU A 44 -22.099 -1.248 -11.008 1.00 1.69 H new ATOM 688 N LYS A 45 -17.497 0.949 -11.699 1.00 1.57 N ATOM 689 CA LYS A 45 -16.093 1.245 -11.444 1.00 1.48 C ATOM 690 C LYS A 45 -15.922 1.974 -10.115 1.00 1.22 C ATOM 691 O LYS A 45 -16.631 2.938 -9.827 1.00 1.49 O ATOM 692 CB LYS A 45 -15.519 2.090 -12.583 1.00 1.83 C ATOM 693 CG LYS A 45 -15.825 1.538 -13.970 1.00 2.22 C ATOM 694 CD LYS A 45 -15.280 0.127 -14.155 1.00 1.95 C ATOM 695 CE LYS A 45 -13.765 0.090 -14.037 1.00 2.20 C ATOM 696 NZ LYS A 45 -13.113 1.026 -14.994 1.00 3.04 N ATOM 0 H LYS A 45 -17.991 1.670 -12.224 1.00 1.57 H new ATOM 0 HA LYS A 45 -15.550 0.302 -11.389 1.00 1.48 H new ATOM 0 HB2 LYS A 45 -15.917 3.102 -12.509 1.00 1.83 H new ATOM 0 HB3 LYS A 45 -14.438 2.162 -12.461 1.00 1.83 H new ATOM 0 HG2 LYS A 45 -16.903 1.534 -14.129 1.00 2.22 H new ATOM 0 HG3 LYS A 45 -15.394 2.195 -14.725 1.00 2.22 H new ATOM 0 HD2 LYS A 45 -15.720 -0.534 -13.408 1.00 1.95 H new ATOM 0 HD3 LYS A 45 -15.578 -0.253 -15.132 1.00 1.95 H new ATOM 0 HE2 LYS A 45 -13.473 0.349 -13.019 1.00 2.20 H new ATOM 0 HE3 LYS A 45 -13.411 -0.924 -14.222 1.00 2.20 H new ATOM 0 HZ1 LYS A 45 -12.208 1.352 -14.599 1.00 3.04 H new ATOM 0 HZ2 LYS A 45 -12.941 0.537 -15.896 1.00 3.04 H new ATOM 0 HZ3 LYS A 45 -13.734 1.844 -15.157 1.00 3.04 H new ATOM 710 N LYS A 46 -14.975 1.506 -9.307 1.00 0.85 N ATOM 711 CA LYS A 46 -14.710 2.110 -8.007 1.00 0.63 C ATOM 712 C LYS A 46 -13.574 3.125 -8.094 1.00 0.59 C ATOM 713 O LYS A 46 -13.148 3.503 -9.184 1.00 0.73 O ATOM 714 CB LYS A 46 -14.366 1.031 -6.977 1.00 0.43 C ATOM 715 CG LYS A 46 -15.554 0.177 -6.564 1.00 0.49 C ATOM 716 CD LYS A 46 -16.550 0.971 -5.736 1.00 0.75 C ATOM 717 CE LYS A 46 -17.761 0.130 -5.374 1.00 0.88 C ATOM 718 NZ LYS A 46 -17.395 -1.029 -4.513 1.00 1.71 N ATOM 0 H LYS A 46 -14.378 0.710 -9.531 1.00 0.85 H new ATOM 0 HA LYS A 46 -15.614 2.631 -7.690 1.00 0.63 H new ATOM 0 HB2 LYS A 46 -13.590 0.384 -7.387 1.00 0.43 H new ATOM 0 HB3 LYS A 46 -13.947 1.508 -6.091 1.00 0.43 H new ATOM 0 HG2 LYS A 46 -16.049 -0.214 -7.453 1.00 0.49 H new ATOM 0 HG3 LYS A 46 -15.204 -0.681 -5.990 1.00 0.49 H new ATOM 0 HD2 LYS A 46 -16.067 1.328 -4.826 1.00 0.75 H new ATOM 0 HD3 LYS A 46 -16.870 1.851 -6.294 1.00 0.75 H new ATOM 0 HE2 LYS A 46 -18.492 0.751 -4.856 1.00 0.88 H new ATOM 0 HE3 LYS A 46 -18.238 -0.231 -6.285 1.00 0.88 H new ATOM 0 HZ1 LYS A 46 -18.254 -1.426 -4.082 1.00 1.71 H new ATOM 0 HZ2 LYS A 46 -16.929 -1.757 -5.091 1.00 1.71 H new ATOM 0 HZ3 LYS A 46 -16.746 -0.714 -3.764 1.00 1.71 H new ATOM 732 N ASP A 47 -13.090 3.560 -6.936 1.00 0.48 N ATOM 733 CA ASP A 47 -12.005 4.532 -6.874 1.00 0.44 C ATOM 734 C ASP A 47 -10.684 3.913 -7.323 1.00 0.39 C ATOM 735 O ASP A 47 -10.382 2.765 -6.996 1.00 0.42 O ATOM 736 CB ASP A 47 -11.867 5.075 -5.450 1.00 0.45 C ATOM 737 CG ASP A 47 -13.086 5.865 -5.013 1.00 1.22 C ATOM 738 OD1 ASP A 47 -14.039 5.249 -4.494 1.00 2.20 O ATOM 739 OD2 ASP A 47 -13.087 7.102 -5.192 1.00 1.14 O ATOM 0 H ASP A 47 -13.433 3.254 -6.025 1.00 0.48 H new ATOM 0 HA ASP A 47 -12.246 5.351 -7.552 1.00 0.44 H new ATOM 0 HB2 ASP A 47 -11.709 4.245 -4.761 1.00 0.45 H new ATOM 0 HB3 ASP A 47 -10.984 5.711 -5.390 1.00 0.45 H new ATOM 744 N LYS A 48 -9.905 4.680 -8.079 1.00 0.37 N ATOM 745 CA LYS A 48 -8.614 4.214 -8.572 1.00 0.34 C ATOM 746 C LYS A 48 -7.479 4.788 -7.728 1.00 0.30 C ATOM 747 O LYS A 48 -7.552 5.926 -7.267 1.00 0.39 O ATOM 748 CB LYS A 48 -8.423 4.609 -10.040 1.00 0.41 C ATOM 749 CG LYS A 48 -9.021 3.621 -11.031 1.00 0.46 C ATOM 750 CD LYS A 48 -10.517 3.442 -10.822 1.00 0.64 C ATOM 751 CE LYS A 48 -11.128 2.560 -11.898 1.00 0.82 C ATOM 752 NZ LYS A 48 -11.089 3.210 -13.238 1.00 1.35 N ATOM 0 H LYS A 48 -10.146 5.629 -8.364 1.00 0.37 H new ATOM 0 HA LYS A 48 -8.595 3.127 -8.495 1.00 0.34 H new ATOM 0 HB2 LYS A 48 -8.873 5.588 -10.203 1.00 0.41 H new ATOM 0 HB3 LYS A 48 -7.357 4.710 -10.242 1.00 0.41 H new ATOM 0 HG2 LYS A 48 -8.836 3.969 -12.047 1.00 0.46 H new ATOM 0 HG3 LYS A 48 -8.522 2.657 -10.928 1.00 0.46 H new ATOM 0 HD2 LYS A 48 -10.698 3.001 -9.842 1.00 0.64 H new ATOM 0 HD3 LYS A 48 -11.005 4.416 -10.828 1.00 0.64 H new ATOM 0 HE2 LYS A 48 -10.591 1.612 -11.939 1.00 0.82 H new ATOM 0 HE3 LYS A 48 -12.161 2.330 -11.636 1.00 0.82 H new ATOM 0 HZ1 LYS A 48 -12.019 3.120 -13.695 1.00 1.35 H new ATOM 0 HZ2 LYS A 48 -10.853 4.217 -13.129 1.00 1.35 H new ATOM 0 HZ3 LYS A 48 -10.368 2.748 -13.827 1.00 1.35 H new ATOM 766 N VAL A 49 -6.434 3.992 -7.530 1.00 0.29 N ATOM 767 CA VAL A 49 -5.287 4.424 -6.741 1.00 0.27 C ATOM 768 C VAL A 49 -4.017 4.448 -7.582 1.00 0.23 C ATOM 769 O VAL A 49 -3.617 3.432 -8.151 1.00 0.28 O ATOM 770 CB VAL A 49 -5.066 3.502 -5.526 1.00 0.31 C ATOM 771 CG1 VAL A 49 -3.970 4.051 -4.624 1.00 0.61 C ATOM 772 CG2 VAL A 49 -6.362 3.319 -4.751 1.00 0.87 C ATOM 0 H VAL A 49 -6.358 3.046 -7.904 1.00 0.29 H new ATOM 0 HA VAL A 49 -5.505 5.433 -6.391 1.00 0.27 H new ATOM 0 HB VAL A 49 -4.746 2.526 -5.891 1.00 0.31 H new ATOM 0 HG11 VAL A 49 -3.831 3.384 -3.773 1.00 0.61 H new ATOM 0 HG12 VAL A 49 -3.038 4.122 -5.185 1.00 0.61 H new ATOM 0 HG13 VAL A 49 -4.255 5.041 -4.267 1.00 0.61 H new ATOM 0 HG21 VAL A 49 -6.186 2.665 -3.897 1.00 0.87 H new ATOM 0 HG22 VAL A 49 -6.715 4.288 -4.399 1.00 0.87 H new ATOM 0 HG23 VAL A 49 -7.115 2.872 -5.401 1.00 0.87 H new ATOM 782 N LEU A 50 -3.386 5.615 -7.662 1.00 0.21 N ATOM 783 CA LEU A 50 -2.159 5.764 -8.430 1.00 0.21 C ATOM 784 C LEU A 50 -1.013 5.028 -7.746 1.00 0.20 C ATOM 785 O LEU A 50 -0.489 5.483 -6.728 1.00 0.26 O ATOM 786 CB LEU A 50 -1.804 7.243 -8.598 1.00 0.24 C ATOM 787 CG LEU A 50 -0.534 7.518 -9.406 1.00 0.29 C ATOM 788 CD1 LEU A 50 -0.720 7.097 -10.856 1.00 0.31 C ATOM 789 CD2 LEU A 50 -0.157 8.989 -9.320 1.00 0.35 C ATOM 0 H LEU A 50 -3.705 6.469 -7.205 1.00 0.21 H new ATOM 0 HA LEU A 50 -2.319 5.330 -9.417 1.00 0.21 H new ATOM 0 HB2 LEU A 50 -2.640 7.749 -9.081 1.00 0.24 H new ATOM 0 HB3 LEU A 50 -1.691 7.688 -7.609 1.00 0.24 H new ATOM 0 HG LEU A 50 0.279 6.929 -8.981 1.00 0.29 H new ATOM 0 HD11 LEU A 50 0.194 7.301 -11.414 1.00 0.31 H new ATOM 0 HD12 LEU A 50 -0.942 6.031 -10.900 1.00 0.31 H new ATOM 0 HD13 LEU A 50 -1.545 7.658 -11.295 1.00 0.31 H new ATOM 0 HD21 LEU A 50 0.748 9.167 -9.900 1.00 0.35 H new ATOM 0 HD22 LEU A 50 -0.969 9.597 -9.719 1.00 0.35 H new ATOM 0 HD23 LEU A 50 0.020 9.259 -8.279 1.00 0.35 H new ATOM 801 N LEU A 51 -0.633 3.887 -8.311 1.00 0.20 N ATOM 802 CA LEU A 51 0.447 3.083 -7.754 1.00 0.22 C ATOM 803 C LEU A 51 1.763 3.340 -8.481 1.00 0.23 C ATOM 804 O LEU A 51 1.841 3.233 -9.707 1.00 0.37 O ATOM 805 CB LEU A 51 0.089 1.597 -7.812 1.00 0.24 C ATOM 806 CG LEU A 51 -0.580 1.060 -6.546 1.00 0.58 C ATOM 807 CD1 LEU A 51 -1.980 1.632 -6.390 1.00 0.98 C ATOM 808 CD2 LEU A 51 -0.621 -0.459 -6.548 1.00 1.50 C ATOM 0 H LEU A 51 -1.057 3.499 -9.154 1.00 0.20 H new ATOM 0 HA LEU A 51 0.578 3.375 -6.712 1.00 0.22 H new ATOM 0 HB2 LEU A 51 -0.576 1.428 -8.659 1.00 0.24 H new ATOM 0 HB3 LEU A 51 0.997 1.024 -8.000 1.00 0.24 H new ATOM 0 HG LEU A 51 0.019 1.380 -5.693 1.00 0.58 H new ATOM 0 HD11 LEU A 51 -2.436 1.236 -5.483 1.00 0.98 H new ATOM 0 HD12 LEU A 51 -1.924 2.718 -6.323 1.00 0.98 H new ATOM 0 HD13 LEU A 51 -2.585 1.352 -7.252 1.00 0.98 H new ATOM 0 HD21 LEU A 51 -1.102 -0.811 -5.636 1.00 1.50 H new ATOM 0 HD22 LEU A 51 -1.185 -0.807 -7.413 1.00 1.50 H new ATOM 0 HD23 LEU A 51 0.395 -0.850 -6.597 1.00 1.50 H new ATOM 820 N SER A 52 2.794 3.685 -7.709 1.00 0.17 N ATOM 821 CA SER A 52 4.116 3.957 -8.267 1.00 0.18 C ATOM 822 C SER A 52 5.176 3.080 -7.609 1.00 0.20 C ATOM 823 O SER A 52 5.235 2.977 -6.384 1.00 0.28 O ATOM 824 CB SER A 52 4.474 5.432 -8.087 1.00 0.18 C ATOM 825 OG SER A 52 3.482 6.271 -8.656 1.00 1.18 O ATOM 0 H SER A 52 2.737 3.782 -6.695 1.00 0.17 H new ATOM 0 HA SER A 52 4.088 3.724 -9.331 1.00 0.18 H new ATOM 0 HB2 SER A 52 4.580 5.657 -7.026 1.00 0.18 H new ATOM 0 HB3 SER A 52 5.438 5.635 -8.554 1.00 0.18 H new ATOM 0 HG SER A 52 3.904 7.078 -9.018 1.00 1.18 H new ATOM 831 N TYR A 53 6.018 2.454 -8.427 1.00 0.19 N ATOM 832 CA TYR A 53 7.074 1.582 -7.917 1.00 0.21 C ATOM 833 C TYR A 53 8.395 2.334 -7.776 1.00 0.20 C ATOM 834 O TYR A 53 8.633 3.326 -8.463 1.00 0.21 O ATOM 835 CB TYR A 53 7.255 0.375 -8.840 1.00 0.25 C ATOM 836 CG TYR A 53 6.141 -0.644 -8.731 1.00 0.36 C ATOM 837 CD1 TYR A 53 4.853 -0.344 -9.158 1.00 0.52 C ATOM 838 CD2 TYR A 53 6.379 -1.906 -8.200 1.00 0.52 C ATOM 839 CE1 TYR A 53 3.835 -1.272 -9.061 1.00 0.65 C ATOM 840 CE2 TYR A 53 5.364 -2.838 -8.099 1.00 0.64 C ATOM 841 CZ TYR A 53 4.094 -2.517 -8.530 1.00 0.66 C ATOM 842 OH TYR A 53 3.082 -3.444 -8.429 1.00 0.82 O ATOM 0 H TYR A 53 5.990 2.534 -9.444 1.00 0.19 H new ATOM 0 HA TYR A 53 6.774 1.236 -6.928 1.00 0.21 H new ATOM 0 HB2 TYR A 53 7.318 0.723 -9.871 1.00 0.25 H new ATOM 0 HB3 TYR A 53 8.203 -0.110 -8.609 1.00 0.25 H new ATOM 0 HD1 TYR A 53 4.645 0.631 -9.573 1.00 0.52 H new ATOM 0 HD2 TYR A 53 7.372 -2.162 -7.861 1.00 0.52 H new ATOM 0 HE1 TYR A 53 2.840 -1.023 -9.400 1.00 0.65 H new ATOM 0 HE2 TYR A 53 5.565 -3.815 -7.684 1.00 0.64 H new ATOM 0 HH TYR A 53 2.338 -3.181 -9.010 1.00 0.82 H new ATOM 852 N TYR A 54 9.249 1.851 -6.876 1.00 0.21 N ATOM 853 CA TYR A 54 10.551 2.473 -6.640 1.00 0.22 C ATOM 854 C TYR A 54 11.619 1.417 -6.367 1.00 0.25 C ATOM 855 O TYR A 54 11.332 0.361 -5.804 1.00 0.31 O ATOM 856 CB TYR A 54 10.473 3.446 -5.462 1.00 0.22 C ATOM 857 CG TYR A 54 9.658 4.688 -5.751 1.00 0.23 C ATOM 858 CD1 TYR A 54 10.238 5.792 -6.365 1.00 0.31 C ATOM 859 CD2 TYR A 54 8.314 4.757 -5.411 1.00 0.22 C ATOM 860 CE1 TYR A 54 9.500 6.929 -6.631 1.00 0.35 C ATOM 861 CE2 TYR A 54 7.569 5.891 -5.675 1.00 0.25 C ATOM 862 CZ TYR A 54 8.167 6.974 -6.285 1.00 0.30 C ATOM 863 OH TYR A 54 7.430 8.105 -6.548 1.00 0.35 O ATOM 0 H TYR A 54 9.063 1.031 -6.298 1.00 0.21 H new ATOM 0 HA TYR A 54 10.827 3.023 -7.540 1.00 0.22 H new ATOM 0 HB2 TYR A 54 10.041 2.930 -4.604 1.00 0.22 H new ATOM 0 HB3 TYR A 54 11.483 3.743 -5.180 1.00 0.22 H new ATOM 0 HD1 TYR A 54 11.282 5.760 -6.638 1.00 0.31 H new ATOM 0 HD2 TYR A 54 7.843 3.911 -4.933 1.00 0.22 H new ATOM 0 HE1 TYR A 54 9.966 7.779 -7.108 1.00 0.35 H new ATOM 0 HE2 TYR A 54 6.524 5.929 -5.405 1.00 0.25 H new ATOM 0 HH TYR A 54 6.508 7.973 -6.243 1.00 0.35 H new ATOM 873 N GLU A 55 12.853 1.711 -6.770 1.00 0.26 N ATOM 874 CA GLU A 55 13.965 0.787 -6.565 1.00 0.30 C ATOM 875 C GLU A 55 14.806 1.197 -5.361 1.00 0.33 C ATOM 876 O GLU A 55 15.407 2.273 -5.347 1.00 0.53 O ATOM 877 CB GLU A 55 14.847 0.726 -7.815 1.00 0.44 C ATOM 878 CG GLU A 55 14.323 -0.211 -8.890 1.00 1.14 C ATOM 879 CD GLU A 55 15.214 -0.249 -10.116 1.00 1.52 C ATOM 880 OE1 GLU A 55 16.261 -0.930 -10.070 1.00 2.05 O ATOM 881 OE2 GLU A 55 14.867 0.406 -11.122 1.00 1.73 O ATOM 0 H GLU A 55 13.108 2.580 -7.239 1.00 0.26 H new ATOM 0 HA GLU A 55 13.545 -0.201 -6.373 1.00 0.30 H new ATOM 0 HB2 GLU A 55 14.938 1.728 -8.233 1.00 0.44 H new ATOM 0 HB3 GLU A 55 15.849 0.408 -7.526 1.00 0.44 H new ATOM 0 HG2 GLU A 55 14.235 -1.216 -8.479 1.00 1.14 H new ATOM 0 HG3 GLU A 55 13.321 0.103 -9.183 1.00 1.14 H new ATOM 888 N SER A 56 14.846 0.333 -4.353 1.00 0.45 N ATOM 889 CA SER A 56 15.618 0.600 -3.146 1.00 0.57 C ATOM 890 C SER A 56 16.883 -0.250 -3.117 1.00 0.83 C ATOM 891 O SER A 56 16.818 -1.476 -3.032 1.00 1.21 O ATOM 892 CB SER A 56 14.774 0.323 -1.901 1.00 0.71 C ATOM 893 OG SER A 56 15.508 0.588 -0.718 1.00 1.19 O ATOM 0 H SER A 56 14.352 -0.559 -4.348 1.00 0.45 H new ATOM 0 HA SER A 56 15.905 1.652 -3.152 1.00 0.57 H new ATOM 0 HB2 SER A 56 13.876 0.941 -1.922 1.00 0.71 H new ATOM 0 HB3 SER A 56 14.446 -0.716 -1.904 1.00 0.71 H new ATOM 0 HG SER A 56 14.905 0.560 0.054 1.00 1.19 H new ATOM 899 N GLN A 57 18.034 0.411 -3.187 1.00 0.92 N ATOM 900 CA GLN A 57 19.317 -0.281 -3.173 1.00 1.22 C ATOM 901 C GLN A 57 20.248 0.325 -2.127 1.00 1.17 C ATOM 902 O GLN A 57 20.222 1.530 -1.882 1.00 1.33 O ATOM 903 CB GLN A 57 19.966 -0.218 -4.556 1.00 1.70 C ATOM 904 CG GLN A 57 20.228 1.198 -5.043 1.00 1.81 C ATOM 905 CD GLN A 57 20.842 1.234 -6.430 1.00 2.29 C ATOM 906 OE1 GLN A 57 20.131 1.275 -7.433 1.00 2.89 O ATOM 907 NE2 GLN A 57 22.168 1.219 -6.490 1.00 2.56 N ATOM 0 H GLN A 57 18.104 1.426 -3.254 1.00 0.92 H new ATOM 0 HA GLN A 57 19.140 -1.324 -2.912 1.00 1.22 H new ATOM 0 HB2 GLN A 57 20.909 -0.765 -4.531 1.00 1.70 H new ATOM 0 HB3 GLN A 57 19.322 -0.726 -5.274 1.00 1.70 H new ATOM 0 HG2 GLN A 57 19.291 1.755 -5.050 1.00 1.81 H new ATOM 0 HG3 GLN A 57 20.893 1.702 -4.342 1.00 1.81 H new ATOM 0 HE21 GLN A 57 22.717 1.185 -5.631 1.00 2.56 H new ATOM 0 HE22 GLN A 57 22.638 1.242 -7.395 1.00 2.56 H new ATOM 916 N HIS A 58 21.071 -0.521 -1.511 1.00 1.16 N ATOM 917 CA HIS A 58 22.009 -0.068 -0.489 1.00 1.25 C ATOM 918 C HIS A 58 23.402 0.142 -1.079 1.00 1.32 C ATOM 919 O HIS A 58 23.804 -0.566 -2.003 1.00 1.40 O ATOM 920 CB HIS A 58 22.076 -1.083 0.653 1.00 1.42 C ATOM 921 CG HIS A 58 20.745 -1.376 1.272 1.00 1.68 C ATOM 922 ND1 HIS A 58 19.910 -0.394 1.762 1.00 2.18 N ATOM 923 CD2 HIS A 58 20.101 -2.551 1.475 1.00 2.23 C ATOM 924 CE1 HIS A 58 18.812 -0.951 2.241 1.00 2.52 C ATOM 925 NE2 HIS A 58 18.903 -2.258 2.079 1.00 2.46 N ATOM 0 H HIS A 58 21.107 -1.522 -1.702 1.00 1.16 H new ATOM 0 HA HIS A 58 21.652 0.886 -0.101 1.00 1.25 H new ATOM 0 HB2 HIS A 58 22.505 -2.012 0.278 1.00 1.42 H new ATOM 0 HB3 HIS A 58 22.751 -0.708 1.422 1.00 1.42 H new ATOM 0 HD2 HIS A 58 20.462 -3.534 1.211 1.00 2.23 H new ATOM 0 HE1 HIS A 58 17.981 -0.426 2.689 1.00 2.52 H new ATOM 0 HE2 HIS A 58 18.198 -2.940 2.357 1.00 2.46 H new ATOM 934 N PRO A 59 24.161 1.122 -0.547 1.00 1.53 N ATOM 935 CA PRO A 59 25.513 1.421 -1.029 1.00 1.67 C ATOM 936 C PRO A 59 26.521 0.346 -0.640 1.00 1.84 C ATOM 937 O PRO A 59 27.681 0.394 -1.052 1.00 2.52 O ATOM 938 CB PRO A 59 25.851 2.742 -0.337 1.00 2.10 C ATOM 939 CG PRO A 59 25.037 2.732 0.909 1.00 2.33 C ATOM 940 CD PRO A 59 23.763 2.010 0.565 1.00 1.88 C ATOM 0 HA PRO A 59 25.555 1.469 -2.117 1.00 1.67 H new ATOM 0 HB2 PRO A 59 26.916 2.812 -0.114 1.00 2.10 H new ATOM 0 HB3 PRO A 59 25.601 3.595 -0.967 1.00 2.10 H new ATOM 0 HG2 PRO A 59 25.566 2.227 1.717 1.00 2.33 H new ATOM 0 HG3 PRO A 59 24.831 3.747 1.249 1.00 2.33 H new ATOM 0 HD2 PRO A 59 23.381 1.444 1.414 1.00 1.88 H new ATOM 0 HD3 PRO A 59 22.977 2.703 0.264 1.00 1.88 H new ATOM 948 N SER A 60 26.075 -0.621 0.155 1.00 1.87 N ATOM 949 CA SER A 60 26.941 -1.708 0.598 1.00 2.25 C ATOM 950 C SER A 60 27.059 -2.782 -0.479 1.00 2.28 C ATOM 951 O SER A 60 26.061 -3.189 -1.074 1.00 2.89 O ATOM 952 CB SER A 60 26.400 -2.322 1.889 1.00 2.98 C ATOM 953 OG SER A 60 26.372 -1.367 2.936 1.00 3.59 O ATOM 0 H SER A 60 25.119 -0.674 0.506 1.00 1.87 H new ATOM 0 HA SER A 60 27.933 -1.297 0.786 1.00 2.25 H new ATOM 0 HB2 SER A 60 25.395 -2.708 1.718 1.00 2.98 H new ATOM 0 HB3 SER A 60 27.022 -3.168 2.181 1.00 2.98 H new ATOM 0 HG SER A 60 26.020 -1.784 3.750 1.00 3.59 H new ATOM 959 N ASN A 61 28.285 -3.237 -0.722 1.00 2.36 N ATOM 960 CA ASN A 61 28.533 -4.265 -1.727 1.00 2.83 C ATOM 961 C ASN A 61 28.501 -5.657 -1.102 1.00 3.18 C ATOM 962 O ASN A 61 29.256 -6.545 -1.499 1.00 3.77 O ATOM 963 CB ASN A 61 29.881 -4.025 -2.411 1.00 3.70 C ATOM 964 CG ASN A 61 31.037 -4.028 -1.430 1.00 4.39 C ATOM 965 OD1 ASN A 61 31.629 -5.073 -1.153 1.00 4.96 O ATOM 966 ND2 ASN A 61 31.367 -2.858 -0.899 1.00 4.80 N ATOM 0 H ASN A 61 29.121 -2.910 -0.237 1.00 2.36 H new ATOM 0 HA ASN A 61 27.742 -4.207 -2.474 1.00 2.83 H new ATOM 0 HB2 ASN A 61 30.045 -4.796 -3.164 1.00 3.70 H new ATOM 0 HB3 ASN A 61 29.855 -3.069 -2.934 1.00 3.70 H new ATOM 0 HD21 ASN A 61 32.138 -2.799 -0.233 1.00 4.80 H new ATOM 0 HD22 ASN A 61 30.850 -2.017 -1.156 1.00 4.80 H new ATOM 973 N GLU A 62 27.620 -5.841 -0.121 1.00 3.41 N ATOM 974 CA GLU A 62 27.486 -7.126 0.557 1.00 4.31 C ATOM 975 C GLU A 62 26.420 -7.979 -0.122 1.00 4.66 C ATOM 976 O GLU A 62 25.226 -7.826 0.141 1.00 5.26 O ATOM 977 CB GLU A 62 27.132 -6.918 2.030 1.00 5.11 C ATOM 978 CG GLU A 62 27.086 -8.207 2.837 1.00 6.02 C ATOM 979 CD GLU A 62 28.430 -8.912 2.889 1.00 6.49 C ATOM 980 OE1 GLU A 62 28.707 -9.726 1.985 1.00 6.92 O ATOM 981 OE2 GLU A 62 29.201 -8.650 3.837 1.00 6.66 O ATOM 0 H GLU A 62 26.989 -5.116 0.221 1.00 3.41 H new ATOM 0 HA GLU A 62 28.442 -7.647 0.496 1.00 4.31 H new ATOM 0 HB2 GLU A 62 27.863 -6.245 2.478 1.00 5.11 H new ATOM 0 HB3 GLU A 62 26.162 -6.424 2.095 1.00 5.11 H new ATOM 0 HG2 GLU A 62 26.757 -7.984 3.852 1.00 6.02 H new ATOM 0 HG3 GLU A 62 26.345 -8.877 2.402 1.00 6.02 H new ATOM 988 N SER A 63 26.861 -8.878 -0.995 1.00 4.71 N ATOM 989 CA SER A 63 25.948 -9.756 -1.720 1.00 5.40 C ATOM 990 C SER A 63 25.363 -10.824 -0.801 1.00 5.72 C ATOM 991 O SER A 63 24.175 -10.793 -0.480 1.00 6.12 O ATOM 992 CB SER A 63 26.673 -10.416 -2.893 1.00 6.13 C ATOM 993 OG SER A 63 25.802 -11.269 -3.616 1.00 6.64 O ATOM 0 H SER A 63 27.846 -9.018 -1.218 1.00 4.71 H new ATOM 0 HA SER A 63 25.127 -9.148 -2.100 1.00 5.40 H new ATOM 0 HB2 SER A 63 27.070 -9.649 -3.558 1.00 6.13 H new ATOM 0 HB3 SER A 63 27.524 -10.988 -2.523 1.00 6.13 H new ATOM 0 HG SER A 63 26.289 -11.678 -4.362 1.00 6.64 H new ATOM 999 N GLY A 64 26.204 -11.765 -0.382 1.00 5.83 N ATOM 1000 CA GLY A 64 25.745 -12.830 0.491 1.00 6.37 C ATOM 1001 C GLY A 64 24.738 -13.737 -0.190 1.00 6.20 C ATOM 1002 O GLY A 64 23.573 -13.785 0.203 1.00 6.52 O ATOM 0 H GLY A 64 27.192 -11.809 -0.631 1.00 5.83 H new ATOM 0 HA2 GLY A 64 26.600 -13.421 0.820 1.00 6.37 H new ATOM 0 HA3 GLY A 64 25.295 -12.396 1.384 1.00 6.37 H new ATOM 1006 N ASP A 65 25.192 -14.454 -1.215 1.00 5.88 N ATOM 1007 CA ASP A 65 24.329 -15.366 -1.962 1.00 5.83 C ATOM 1008 C ASP A 65 23.106 -14.629 -2.501 1.00 5.38 C ATOM 1009 O ASP A 65 21.987 -14.830 -2.027 1.00 5.77 O ATOM 1010 CB ASP A 65 23.892 -16.533 -1.073 1.00 6.69 C ATOM 1011 CG ASP A 65 23.178 -17.620 -1.853 1.00 7.43 C ATOM 1012 OD1 ASP A 65 21.949 -17.510 -2.039 1.00 8.04 O ATOM 1013 OD2 ASP A 65 23.850 -18.585 -2.276 1.00 7.57 O ATOM 0 H ASP A 65 26.155 -14.421 -1.548 1.00 5.88 H new ATOM 0 HA ASP A 65 24.896 -15.760 -2.806 1.00 5.83 H new ATOM 0 HB2 ASP A 65 24.767 -16.958 -0.581 1.00 6.69 H new ATOM 0 HB3 ASP A 65 23.234 -16.161 -0.288 1.00 6.69 H new ATOM 1018 N GLY A 66 23.329 -13.773 -3.494 1.00 4.75 N ATOM 1019 CA GLY A 66 22.237 -13.017 -4.082 1.00 4.50 C ATOM 1020 C GLY A 66 22.278 -13.019 -5.596 1.00 4.15 C ATOM 1021 O GLY A 66 23.294 -12.669 -6.198 1.00 4.62 O ATOM 0 H GLY A 66 24.246 -13.589 -3.902 1.00 4.75 H new ATOM 0 HA2 GLY A 66 21.288 -13.436 -3.747 1.00 4.50 H new ATOM 0 HA3 GLY A 66 22.276 -11.989 -3.722 1.00 4.50 H new ATOM 1025 N VAL A 67 21.169 -13.412 -6.214 1.00 3.74 N ATOM 1026 CA VAL A 67 21.078 -13.459 -7.668 1.00 3.83 C ATOM 1027 C VAL A 67 20.314 -12.256 -8.215 1.00 3.19 C ATOM 1028 O VAL A 67 19.443 -12.398 -9.074 1.00 3.45 O ATOM 1029 CB VAL A 67 20.395 -14.758 -8.143 1.00 4.57 C ATOM 1030 CG1 VAL A 67 21.288 -15.960 -7.875 1.00 5.42 C ATOM 1031 CG2 VAL A 67 19.043 -14.931 -7.465 1.00 4.44 C ATOM 0 H VAL A 67 20.320 -13.703 -5.729 1.00 3.74 H new ATOM 0 HA VAL A 67 22.098 -13.434 -8.052 1.00 3.83 H new ATOM 0 HB VAL A 67 20.231 -14.687 -9.218 1.00 4.57 H new ATOM 0 HG11 VAL A 67 20.789 -16.867 -8.217 1.00 5.42 H new ATOM 0 HG12 VAL A 67 22.230 -15.840 -8.410 1.00 5.42 H new ATOM 0 HG13 VAL A 67 21.485 -16.035 -6.806 1.00 5.42 H new ATOM 0 HG21 VAL A 67 18.577 -15.853 -7.813 1.00 4.44 H new ATOM 0 HG22 VAL A 67 19.181 -14.979 -6.385 1.00 4.44 H new ATOM 0 HG23 VAL A 67 18.402 -14.085 -7.711 1.00 4.44 H new ATOM 1041 N ASP A 68 20.654 -11.070 -7.711 1.00 2.69 N ATOM 1042 CA ASP A 68 20.009 -9.832 -8.142 1.00 2.47 C ATOM 1043 C ASP A 68 18.516 -9.853 -7.829 1.00 1.74 C ATOM 1044 O ASP A 68 17.713 -10.371 -8.606 1.00 2.03 O ATOM 1045 CB ASP A 68 20.229 -9.605 -9.639 1.00 3.50 C ATOM 1046 CG ASP A 68 21.696 -9.466 -9.996 1.00 4.42 C ATOM 1047 OD1 ASP A 68 22.362 -10.504 -10.186 1.00 5.19 O ATOM 1048 OD2 ASP A 68 22.176 -8.317 -10.088 1.00 4.69 O ATOM 0 H ASP A 68 21.375 -10.941 -7.001 1.00 2.69 H new ATOM 0 HA ASP A 68 20.463 -9.009 -7.590 1.00 2.47 H new ATOM 0 HB2 ASP A 68 19.800 -10.438 -10.196 1.00 3.50 H new ATOM 0 HB3 ASP A 68 19.696 -8.706 -9.949 1.00 3.50 H new ATOM 1053 N GLY A 69 18.152 -9.283 -6.685 1.00 1.09 N ATOM 1054 CA GLY A 69 16.758 -9.240 -6.281 1.00 0.76 C ATOM 1055 C GLY A 69 16.477 -8.113 -5.306 1.00 0.68 C ATOM 1056 O GLY A 69 16.211 -8.354 -4.128 1.00 0.66 O ATOM 0 H GLY A 69 18.800 -8.848 -6.028 1.00 1.09 H new ATOM 0 HA2 GLY A 69 16.130 -9.119 -7.163 1.00 0.76 H new ATOM 0 HA3 GLY A 69 16.485 -10.191 -5.823 1.00 0.76 H new ATOM 1060 N LYS A 70 16.535 -6.880 -5.800 1.00 0.67 N ATOM 1061 CA LYS A 70 16.286 -5.709 -4.966 1.00 0.60 C ATOM 1062 C LYS A 70 14.809 -5.602 -4.614 1.00 0.51 C ATOM 1063 O LYS A 70 13.942 -5.981 -5.402 1.00 0.50 O ATOM 1064 CB LYS A 70 16.737 -4.432 -5.680 1.00 0.66 C ATOM 1065 CG LYS A 70 18.225 -4.138 -5.543 1.00 0.76 C ATOM 1066 CD LYS A 70 18.981 -4.450 -6.825 1.00 1.25 C ATOM 1067 CE LYS A 70 19.225 -5.941 -6.978 1.00 1.58 C ATOM 1068 NZ LYS A 70 19.728 -6.284 -8.336 1.00 2.43 N ATOM 0 H LYS A 70 16.752 -6.666 -6.773 1.00 0.67 H new ATOM 0 HA LYS A 70 16.861 -5.825 -4.047 1.00 0.60 H new ATOM 0 HB2 LYS A 70 16.489 -4.513 -6.738 1.00 0.66 H new ATOM 0 HB3 LYS A 70 16.172 -3.588 -5.284 1.00 0.66 H new ATOM 0 HG2 LYS A 70 18.366 -3.089 -5.284 1.00 0.76 H new ATOM 0 HG3 LYS A 70 18.638 -4.727 -4.724 1.00 0.76 H new ATOM 0 HD2 LYS A 70 18.415 -4.083 -7.681 1.00 1.25 H new ATOM 0 HD3 LYS A 70 19.935 -3.922 -6.824 1.00 1.25 H new ATOM 0 HE2 LYS A 70 19.946 -6.270 -6.230 1.00 1.58 H new ATOM 0 HE3 LYS A 70 18.298 -6.482 -6.787 1.00 1.58 H new ATOM 0 HZ1 LYS A 70 19.092 -6.979 -8.776 1.00 2.43 H new ATOM 0 HZ2 LYS A 70 19.761 -5.425 -8.921 1.00 2.43 H new ATOM 0 HZ3 LYS A 70 20.683 -6.688 -8.261 1.00 2.43 H new ATOM 1082 N MET A 71 14.529 -5.084 -3.423 1.00 0.45 N ATOM 1083 CA MET A 71 13.154 -4.921 -2.970 1.00 0.36 C ATOM 1084 C MET A 71 12.530 -3.671 -3.585 1.00 0.33 C ATOM 1085 O MET A 71 13.017 -2.557 -3.386 1.00 0.36 O ATOM 1086 CB MET A 71 13.094 -4.853 -1.439 1.00 0.35 C ATOM 1087 CG MET A 71 13.896 -3.710 -0.837 1.00 0.39 C ATOM 1088 SD MET A 71 13.816 -3.684 0.964 1.00 0.40 S ATOM 1089 CE MET A 71 14.646 -2.138 1.320 1.00 0.47 C ATOM 0 H MET A 71 15.234 -4.771 -2.756 1.00 0.45 H new ATOM 0 HA MET A 71 12.581 -5.788 -3.298 1.00 0.36 H new ATOM 0 HB2 MET A 71 12.053 -4.754 -1.131 1.00 0.35 H new ATOM 0 HB3 MET A 71 13.460 -5.795 -1.029 1.00 0.35 H new ATOM 0 HG2 MET A 71 14.937 -3.796 -1.150 1.00 0.39 H new ATOM 0 HG3 MET A 71 13.523 -2.763 -1.228 1.00 0.39 H new ATOM 0 HE1 MET A 71 14.676 -1.981 2.398 1.00 0.47 H new ATOM 0 HE2 MET A 71 15.663 -2.173 0.930 1.00 0.47 H new ATOM 0 HE3 MET A 71 14.105 -1.318 0.849 1.00 0.47 H new ATOM 1099 N LEU A 72 11.454 -3.866 -4.339 1.00 0.30 N ATOM 1100 CA LEU A 72 10.769 -2.759 -4.993 1.00 0.29 C ATOM 1101 C LEU A 72 9.675 -2.184 -4.101 1.00 0.28 C ATOM 1102 O LEU A 72 8.745 -2.889 -3.707 1.00 0.33 O ATOM 1103 CB LEU A 72 10.162 -3.221 -6.319 1.00 0.29 C ATOM 1104 CG LEU A 72 11.153 -3.837 -7.311 1.00 0.32 C ATOM 1105 CD1 LEU A 72 10.417 -4.369 -8.531 1.00 0.34 C ATOM 1106 CD2 LEU A 72 12.201 -2.816 -7.724 1.00 0.34 C ATOM 0 H LEU A 72 11.038 -4.781 -4.512 1.00 0.30 H new ATOM 0 HA LEU A 72 11.504 -1.978 -5.184 1.00 0.29 H new ATOM 0 HB2 LEU A 72 9.382 -3.953 -6.108 1.00 0.29 H new ATOM 0 HB3 LEU A 72 9.678 -2.368 -6.795 1.00 0.29 H new ATOM 0 HG LEU A 72 11.660 -4.668 -6.822 1.00 0.32 H new ATOM 0 HD11 LEU A 72 11.134 -4.804 -9.227 1.00 0.34 H new ATOM 0 HD12 LEU A 72 9.703 -5.132 -8.221 1.00 0.34 H new ATOM 0 HD13 LEU A 72 9.886 -3.553 -9.020 1.00 0.34 H new ATOM 0 HD21 LEU A 72 12.896 -3.273 -8.429 1.00 0.34 H new ATOM 0 HD22 LEU A 72 11.712 -1.964 -8.196 1.00 0.34 H new ATOM 0 HD23 LEU A 72 12.747 -2.479 -6.843 1.00 0.34 H new ATOM 1118 N MET A 73 9.792 -0.898 -3.783 1.00 0.26 N ATOM 1119 CA MET A 73 8.806 -0.227 -2.946 1.00 0.26 C ATOM 1120 C MET A 73 7.628 0.244 -3.790 1.00 0.21 C ATOM 1121 O MET A 73 7.702 0.257 -5.020 1.00 0.20 O ATOM 1122 CB MET A 73 9.440 0.963 -2.222 1.00 0.30 C ATOM 1123 CG MET A 73 10.615 0.579 -1.339 1.00 0.36 C ATOM 1124 SD MET A 73 11.271 1.977 -0.406 1.00 1.17 S ATOM 1125 CE MET A 73 11.777 3.066 -1.734 1.00 0.80 C ATOM 0 H MET A 73 10.559 -0.301 -4.092 1.00 0.26 H new ATOM 0 HA MET A 73 8.445 -0.938 -2.202 1.00 0.26 H new ATOM 0 HB2 MET A 73 9.774 1.692 -2.961 1.00 0.30 H new ATOM 0 HB3 MET A 73 8.682 1.453 -1.611 1.00 0.30 H new ATOM 0 HG2 MET A 73 10.303 -0.201 -0.645 1.00 0.36 H new ATOM 0 HG3 MET A 73 11.407 0.157 -1.958 1.00 0.36 H new ATOM 0 HE1 MET A 73 12.476 3.809 -1.349 1.00 0.80 H new ATOM 0 HE2 MET A 73 12.262 2.483 -2.518 1.00 0.80 H new ATOM 0 HE3 MET A 73 10.902 3.570 -2.145 1.00 0.80 H new ATOM 1135 N VAL A 74 6.545 0.634 -3.128 1.00 0.20 N ATOM 1136 CA VAL A 74 5.354 1.096 -3.828 1.00 0.16 C ATOM 1137 C VAL A 74 4.636 2.192 -3.049 1.00 0.17 C ATOM 1138 O VAL A 74 4.574 2.161 -1.818 1.00 0.24 O ATOM 1139 CB VAL A 74 4.364 -0.061 -4.084 1.00 0.18 C ATOM 1140 CG1 VAL A 74 3.929 -0.701 -2.777 1.00 0.26 C ATOM 1141 CG2 VAL A 74 3.155 0.426 -4.869 1.00 0.14 C ATOM 0 H VAL A 74 6.468 0.639 -2.111 1.00 0.20 H new ATOM 0 HA VAL A 74 5.694 1.498 -4.782 1.00 0.16 H new ATOM 0 HB VAL A 74 4.877 -0.817 -4.679 1.00 0.18 H new ATOM 0 HG11 VAL A 74 3.232 -1.513 -2.984 1.00 0.26 H new ATOM 0 HG12 VAL A 74 4.802 -1.096 -2.257 1.00 0.26 H new ATOM 0 HG13 VAL A 74 3.441 0.046 -2.151 1.00 0.26 H new ATOM 0 HG21 VAL A 74 2.471 -0.406 -5.038 1.00 0.14 H new ATOM 0 HG22 VAL A 74 2.645 1.206 -4.304 1.00 0.14 H new ATOM 0 HG23 VAL A 74 3.482 0.827 -5.828 1.00 0.14 H new ATOM 1151 N THR A 75 4.107 3.165 -3.781 1.00 0.12 N ATOM 1152 CA THR A 75 3.363 4.264 -3.185 1.00 0.12 C ATOM 1153 C THR A 75 1.939 4.258 -3.720 1.00 0.11 C ATOM 1154 O THR A 75 1.722 4.143 -4.930 1.00 0.11 O ATOM 1155 CB THR A 75 4.015 5.628 -3.482 1.00 0.16 C ATOM 1156 OG1 THR A 75 4.149 5.811 -4.896 1.00 0.18 O ATOM 1157 CG2 THR A 75 5.381 5.732 -2.818 1.00 0.18 C ATOM 0 H THR A 75 4.182 3.213 -4.797 1.00 0.12 H new ATOM 0 HA THR A 75 3.365 4.121 -2.104 1.00 0.12 H new ATOM 0 HB THR A 75 3.372 6.409 -3.076 1.00 0.16 H new ATOM 0 HG1 THR A 75 4.563 6.681 -5.075 1.00 0.18 H new ATOM 0 HG21 THR A 75 5.821 6.704 -3.042 1.00 0.18 H new ATOM 0 HG22 THR A 75 5.270 5.624 -1.739 1.00 0.18 H new ATOM 0 HG23 THR A 75 6.031 4.943 -3.197 1.00 0.18 H new ATOM 1165 N LEU A 76 0.971 4.381 -2.818 1.00 0.12 N ATOM 1166 CA LEU A 76 -0.434 4.369 -3.203 1.00 0.14 C ATOM 1167 C LEU A 76 -1.064 5.744 -3.006 1.00 0.14 C ATOM 1168 O LEU A 76 -1.135 6.250 -1.886 1.00 0.18 O ATOM 1169 CB LEU A 76 -1.197 3.315 -2.388 1.00 0.18 C ATOM 1170 CG LEU A 76 -0.400 2.049 -2.040 1.00 0.16 C ATOM 1171 CD1 LEU A 76 -1.277 1.034 -1.332 1.00 0.21 C ATOM 1172 CD2 LEU A 76 0.194 1.424 -3.286 1.00 0.16 C ATOM 0 H LEU A 76 1.134 4.490 -1.817 1.00 0.12 H new ATOM 0 HA LEU A 76 -0.496 4.113 -4.261 1.00 0.14 H new ATOM 0 HB2 LEU A 76 -1.539 3.775 -1.461 1.00 0.18 H new ATOM 0 HB3 LEU A 76 -2.086 3.022 -2.946 1.00 0.18 H new ATOM 0 HG LEU A 76 0.409 2.344 -1.372 1.00 0.16 H new ATOM 0 HD11 LEU A 76 -0.689 0.147 -1.096 1.00 0.21 H new ATOM 0 HD12 LEU A 76 -1.664 1.468 -0.410 1.00 0.21 H new ATOM 0 HD13 LEU A 76 -2.109 0.757 -1.980 1.00 0.21 H new ATOM 0 HD21 LEU A 76 0.753 0.529 -3.013 1.00 0.16 H new ATOM 0 HD22 LEU A 76 -0.606 1.155 -3.975 1.00 0.16 H new ATOM 0 HD23 LEU A 76 0.863 2.137 -3.767 1.00 0.16 H new ATOM 1184 N SER A 77 -1.514 6.344 -4.104 1.00 0.20 N ATOM 1185 CA SER A 77 -2.134 7.663 -4.052 1.00 0.23 C ATOM 1186 C SER A 77 -3.531 7.646 -4.674 1.00 0.23 C ATOM 1187 O SER A 77 -3.684 7.900 -5.869 1.00 0.19 O ATOM 1188 CB SER A 77 -1.258 8.686 -4.779 1.00 0.26 C ATOM 1189 OG SER A 77 -1.847 9.975 -4.751 1.00 0.29 O ATOM 0 H SER A 77 -1.461 5.939 -5.038 1.00 0.20 H new ATOM 0 HA SER A 77 -2.230 7.945 -3.004 1.00 0.23 H new ATOM 0 HB2 SER A 77 -0.273 8.723 -4.313 1.00 0.26 H new ATOM 0 HB3 SER A 77 -1.110 8.373 -5.813 1.00 0.26 H new ATOM 0 HG SER A 77 -2.595 10.007 -5.383 1.00 0.29 H new ATOM 1195 N PRO A 78 -4.571 7.341 -3.874 1.00 0.30 N ATOM 1196 CA PRO A 78 -5.954 7.306 -4.362 1.00 0.33 C ATOM 1197 C PRO A 78 -6.460 8.694 -4.730 1.00 0.34 C ATOM 1198 O PRO A 78 -7.459 8.839 -5.434 1.00 0.41 O ATOM 1199 CB PRO A 78 -6.744 6.745 -3.177 1.00 0.39 C ATOM 1200 CG PRO A 78 -5.916 7.064 -1.980 1.00 0.41 C ATOM 1201 CD PRO A 78 -4.485 7.007 -2.440 1.00 0.37 C ATOM 0 HA PRO A 78 -6.053 6.709 -5.269 1.00 0.33 H new ATOM 0 HB2 PRO A 78 -7.731 7.202 -3.108 1.00 0.39 H new ATOM 0 HB3 PRO A 78 -6.897 5.670 -3.277 1.00 0.39 H new ATOM 0 HG2 PRO A 78 -6.161 8.051 -1.588 1.00 0.41 H new ATOM 0 HG3 PRO A 78 -6.097 6.348 -1.178 1.00 0.41 H new ATOM 0 HD2 PRO A 78 -3.861 7.718 -1.899 1.00 0.37 H new ATOM 0 HD3 PRO A 78 -4.052 6.019 -2.283 1.00 0.37 H new ATOM 1209 N THR A 79 -5.755 9.712 -4.246 1.00 0.34 N ATOM 1210 CA THR A 79 -6.118 11.097 -4.515 1.00 0.37 C ATOM 1211 C THR A 79 -5.014 11.797 -5.305 1.00 0.36 C ATOM 1212 O THR A 79 -4.248 11.150 -6.019 1.00 0.32 O ATOM 1213 CB THR A 79 -6.370 11.870 -3.210 1.00 0.44 C ATOM 1214 OG1 THR A 79 -5.129 12.104 -2.539 1.00 0.52 O ATOM 1215 CG2 THR A 79 -7.311 11.101 -2.294 1.00 0.51 C ATOM 0 H THR A 79 -4.925 9.601 -3.663 1.00 0.34 H new ATOM 0 HA THR A 79 -7.037 11.085 -5.102 1.00 0.37 H new ATOM 0 HB THR A 79 -6.836 12.823 -3.461 1.00 0.44 H new ATOM 0 HG1 THR A 79 -4.559 11.311 -2.619 1.00 0.52 H new ATOM 0 HG21 THR A 79 -7.473 11.670 -1.378 1.00 0.51 H new ATOM 0 HG22 THR A 79 -8.265 10.947 -2.799 1.00 0.51 H new ATOM 0 HG23 THR A 79 -6.870 10.135 -2.048 1.00 0.51 H new ATOM 1223 N LYS A 80 -4.937 13.119 -5.176 1.00 0.41 N ATOM 1224 CA LYS A 80 -3.926 13.894 -5.888 1.00 0.43 C ATOM 1225 C LYS A 80 -2.635 14.015 -5.079 1.00 0.43 C ATOM 1226 O LYS A 80 -1.644 13.347 -5.375 1.00 0.47 O ATOM 1227 CB LYS A 80 -4.461 15.290 -6.220 1.00 0.46 C ATOM 1228 CG LYS A 80 -5.900 15.296 -6.726 1.00 0.44 C ATOM 1229 CD LYS A 80 -6.090 14.365 -7.916 1.00 0.43 C ATOM 1230 CE LYS A 80 -5.280 14.818 -9.121 1.00 1.19 C ATOM 1231 NZ LYS A 80 -5.450 13.902 -10.282 1.00 2.08 N ATOM 0 H LYS A 80 -5.559 13.673 -4.588 1.00 0.41 H new ATOM 0 HA LYS A 80 -3.698 13.363 -6.812 1.00 0.43 H new ATOM 0 HB2 LYS A 80 -4.397 15.914 -5.329 1.00 0.46 H new ATOM 0 HB3 LYS A 80 -3.819 15.745 -6.975 1.00 0.46 H new ATOM 0 HG2 LYS A 80 -6.569 14.995 -5.920 1.00 0.44 H new ATOM 0 HG3 LYS A 80 -6.180 16.310 -7.011 1.00 0.44 H new ATOM 0 HD2 LYS A 80 -5.793 13.354 -7.638 1.00 0.43 H new ATOM 0 HD3 LYS A 80 -7.146 14.325 -8.182 1.00 0.43 H new ATOM 0 HE2 LYS A 80 -5.585 15.825 -9.406 1.00 1.19 H new ATOM 0 HE3 LYS A 80 -4.225 14.869 -8.851 1.00 1.19 H new ATOM 0 HZ1 LYS A 80 -4.882 14.246 -11.082 1.00 2.08 H new ATOM 0 HZ2 LYS A 80 -5.135 12.946 -10.019 1.00 2.08 H new ATOM 0 HZ3 LYS A 80 -6.453 13.872 -10.557 1.00 2.08 H new ATOM 1245 N ASP A 81 -2.652 14.873 -4.060 1.00 0.41 N ATOM 1246 CA ASP A 81 -1.476 15.098 -3.225 1.00 0.43 C ATOM 1247 C ASP A 81 -1.435 14.164 -2.018 1.00 0.43 C ATOM 1248 O ASP A 81 -0.361 13.749 -1.590 1.00 0.61 O ATOM 1249 CB ASP A 81 -1.440 16.553 -2.753 1.00 0.42 C ATOM 1250 CG ASP A 81 -1.435 17.535 -3.909 1.00 0.44 C ATOM 1251 OD1 ASP A 81 -0.346 17.797 -4.461 1.00 0.48 O ATOM 1252 OD2 ASP A 81 -2.520 18.042 -4.260 1.00 0.44 O ATOM 0 H ASP A 81 -3.468 15.423 -3.794 1.00 0.41 H new ATOM 0 HA ASP A 81 -0.600 14.883 -3.837 1.00 0.43 H new ATOM 0 HB2 ASP A 81 -2.304 16.748 -2.118 1.00 0.42 H new ATOM 0 HB3 ASP A 81 -0.552 16.712 -2.141 1.00 0.42 H new ATOM 1257 N PHE A 82 -2.599 13.838 -1.467 1.00 0.31 N ATOM 1258 CA PHE A 82 -2.666 12.965 -0.297 1.00 0.30 C ATOM 1259 C PHE A 82 -2.081 11.585 -0.595 1.00 0.27 C ATOM 1260 O PHE A 82 -2.451 10.939 -1.575 1.00 0.32 O ATOM 1261 CB PHE A 82 -4.110 12.821 0.188 1.00 0.31 C ATOM 1262 CG PHE A 82 -4.826 14.133 0.358 1.00 0.34 C ATOM 1263 CD1 PHE A 82 -4.634 14.898 1.498 1.00 0.34 C ATOM 1264 CD2 PHE A 82 -5.689 14.599 -0.619 1.00 0.43 C ATOM 1265 CE1 PHE A 82 -5.289 16.105 1.657 1.00 0.39 C ATOM 1266 CE2 PHE A 82 -6.346 15.805 -0.466 1.00 0.47 C ATOM 1267 CZ PHE A 82 -6.153 16.555 0.674 1.00 0.44 C ATOM 0 H PHE A 82 -3.504 14.162 -1.808 1.00 0.31 H new ATOM 0 HA PHE A 82 -2.069 13.428 0.489 1.00 0.30 H new ATOM 0 HB2 PHE A 82 -4.662 12.205 -0.522 1.00 0.31 H new ATOM 0 HB3 PHE A 82 -4.113 12.290 1.140 1.00 0.31 H new ATOM 0 HD1 PHE A 82 -3.965 14.547 2.270 1.00 0.34 H new ATOM 0 HD2 PHE A 82 -5.851 14.013 -1.512 1.00 0.43 H new ATOM 0 HE1 PHE A 82 -5.127 16.696 2.547 1.00 0.39 H new ATOM 0 HE2 PHE A 82 -7.011 16.160 -1.240 1.00 0.47 H new ATOM 0 HZ PHE A 82 -6.675 17.492 0.800 1.00 0.44 H new ATOM 1277 N TRP A 83 -1.162 11.142 0.263 1.00 0.22 N ATOM 1278 CA TRP A 83 -0.522 9.838 0.110 1.00 0.20 C ATOM 1279 C TRP A 83 -0.836 8.942 1.305 1.00 0.19 C ATOM 1280 O TRP A 83 -1.269 9.419 2.356 1.00 0.22 O ATOM 1281 CB TRP A 83 0.994 9.994 -0.033 1.00 0.21 C ATOM 1282 CG TRP A 83 1.420 10.499 -1.378 1.00 0.22 C ATOM 1283 CD1 TRP A 83 1.344 9.832 -2.566 1.00 0.25 C ATOM 1284 CD2 TRP A 83 1.995 11.778 -1.673 1.00 0.27 C ATOM 1285 NE1 TRP A 83 1.830 10.619 -3.582 1.00 0.31 N ATOM 1286 CE2 TRP A 83 2.235 11.818 -3.058 1.00 0.32 C ATOM 1287 CE3 TRP A 83 2.323 12.893 -0.899 1.00 0.31 C ATOM 1288 CZ2 TRP A 83 2.792 12.931 -3.685 1.00 0.39 C ATOM 1289 CZ3 TRP A 83 2.874 13.997 -1.520 1.00 0.38 C ATOM 1290 CH2 TRP A 83 3.104 14.009 -2.902 1.00 0.41 C ATOM 0 H TRP A 83 -0.844 11.671 1.075 1.00 0.22 H new ATOM 0 HA TRP A 83 -0.916 9.374 -0.794 1.00 0.20 H new ATOM 0 HB2 TRP A 83 1.354 10.679 0.734 1.00 0.21 H new ATOM 0 HB3 TRP A 83 1.469 9.031 0.151 1.00 0.21 H new ATOM 0 HD1 TRP A 83 0.958 8.831 -2.690 1.00 0.25 H new ATOM 0 HE1 TRP A 83 1.881 10.354 -4.566 1.00 0.31 H new ATOM 0 HE3 TRP A 83 2.149 12.892 0.167 1.00 0.31 H new ATOM 0 HZ2 TRP A 83 2.971 12.942 -4.750 1.00 0.39 H new ATOM 0 HZ3 TRP A 83 3.132 14.865 -0.931 1.00 0.38 H new ATOM 0 HH2 TRP A 83 3.536 14.887 -3.359 1.00 0.41 H new ATOM 1301 N LEU A 84 -0.613 7.641 1.141 1.00 0.16 N ATOM 1302 CA LEU A 84 -0.875 6.678 2.205 1.00 0.17 C ATOM 1303 C LEU A 84 0.267 6.653 3.216 1.00 0.17 C ATOM 1304 O LEU A 84 1.425 6.439 2.859 1.00 0.24 O ATOM 1305 CB LEU A 84 -1.086 5.278 1.624 1.00 0.19 C ATOM 1306 CG LEU A 84 -2.548 4.866 1.437 1.00 0.14 C ATOM 1307 CD1 LEU A 84 -3.233 5.759 0.415 1.00 0.22 C ATOM 1308 CD2 LEU A 84 -2.640 3.406 1.018 1.00 0.16 C ATOM 0 H LEU A 84 -0.251 7.230 0.281 1.00 0.16 H new ATOM 0 HA LEU A 84 -1.784 6.990 2.718 1.00 0.17 H new ATOM 0 HB2 LEU A 84 -0.583 5.223 0.659 1.00 0.19 H new ATOM 0 HB3 LEU A 84 -0.601 4.553 2.278 1.00 0.19 H new ATOM 0 HG LEU A 84 -3.062 4.985 2.391 1.00 0.14 H new ATOM 0 HD11 LEU A 84 -4.271 5.448 0.298 1.00 0.22 H new ATOM 0 HD12 LEU A 84 -3.200 6.794 0.756 1.00 0.22 H new ATOM 0 HD13 LEU A 84 -2.719 5.676 -0.543 1.00 0.22 H new ATOM 0 HD21 LEU A 84 -3.687 3.130 0.889 1.00 0.16 H new ATOM 0 HD22 LEU A 84 -2.109 3.263 0.077 1.00 0.16 H new ATOM 0 HD23 LEU A 84 -2.191 2.778 1.787 1.00 0.16 H new ATOM 1320 N HIS A 85 -0.076 6.872 4.481 1.00 0.23 N ATOM 1321 CA HIS A 85 0.907 6.872 5.557 1.00 0.24 C ATOM 1322 C HIS A 85 0.493 5.900 6.657 1.00 0.27 C ATOM 1323 O HIS A 85 -0.630 5.963 7.165 1.00 0.36 O ATOM 1324 CB HIS A 85 1.071 8.279 6.134 1.00 0.24 C ATOM 1325 CG HIS A 85 1.774 9.225 5.212 1.00 0.23 C ATOM 1326 ND1 HIS A 85 1.116 9.995 4.274 1.00 0.29 N ATOM 1327 CD2 HIS A 85 3.088 9.530 5.088 1.00 0.33 C ATOM 1328 CE1 HIS A 85 1.995 10.730 3.615 1.00 0.29 C ATOM 1329 NE2 HIS A 85 3.198 10.467 4.089 1.00 0.30 N ATOM 0 H HIS A 85 -1.032 7.053 4.787 1.00 0.23 H new ATOM 0 HA HIS A 85 1.864 6.550 5.146 1.00 0.24 H new ATOM 0 HB2 HIS A 85 0.087 8.682 6.373 1.00 0.24 H new ATOM 0 HB3 HIS A 85 1.626 8.217 7.070 1.00 0.24 H new ATOM 0 HD1 HIS A 85 0.109 9.997 4.114 1.00 0.29 H new ATOM 0 HD2 HIS A 85 3.899 9.114 5.667 1.00 0.33 H new ATOM 0 HE1 HIS A 85 1.767 11.428 2.823 1.00 0.29 H new ATOM 1338 N ALA A 86 1.403 5.002 7.015 1.00 0.27 N ATOM 1339 CA ALA A 86 1.137 4.011 8.051 1.00 0.31 C ATOM 1340 C ALA A 86 1.442 4.565 9.437 1.00 0.29 C ATOM 1341 O ALA A 86 2.600 4.796 9.785 1.00 0.47 O ATOM 1342 CB ALA A 86 1.956 2.754 7.800 1.00 0.47 C ATOM 0 H ALA A 86 2.334 4.940 6.602 1.00 0.27 H new ATOM 0 HA ALA A 86 0.077 3.761 8.012 1.00 0.31 H new ATOM 0 HB1 ALA A 86 1.748 2.022 8.581 1.00 0.47 H new ATOM 0 HB2 ALA A 86 1.691 2.335 6.830 1.00 0.47 H new ATOM 0 HB3 ALA A 86 3.017 3.003 7.810 1.00 0.47 H new ATOM 1348 N ASN A 87 0.394 4.774 10.226 1.00 0.33 N ATOM 1349 CA ASN A 87 0.549 5.290 11.581 1.00 0.43 C ATOM 1350 C ASN A 87 0.461 4.151 12.591 1.00 0.46 C ATOM 1351 O ASN A 87 -0.628 3.779 13.030 1.00 0.53 O ATOM 1352 CB ASN A 87 -0.516 6.347 11.878 1.00 0.56 C ATOM 1353 CG ASN A 87 -0.383 7.569 10.990 1.00 1.09 C ATOM 1354 OD1 ASN A 87 0.063 7.475 9.847 1.00 1.83 O ATOM 1355 ND2 ASN A 87 -0.770 8.728 11.513 1.00 1.83 N ATOM 0 H ASN A 87 -0.572 4.594 9.951 1.00 0.33 H new ATOM 0 HA ASN A 87 1.530 5.757 11.664 1.00 0.43 H new ATOM 0 HB2 ASN A 87 -1.505 5.910 11.743 1.00 0.56 H new ATOM 0 HB3 ASN A 87 -0.441 6.650 12.922 1.00 0.56 H new ATOM 0 HD21 ASN A 87 -0.703 9.584 10.962 1.00 1.83 H new ATOM 0 HD22 ASN A 87 -1.134 8.762 12.465 1.00 1.83 H new ATOM 1362 N ASN A 88 1.615 3.597 12.949 1.00 0.49 N ATOM 1363 CA ASN A 88 1.677 2.493 13.900 1.00 0.56 C ATOM 1364 C ASN A 88 1.070 2.889 15.243 1.00 0.60 C ATOM 1365 O ASN A 88 0.681 2.030 16.034 1.00 0.73 O ATOM 1366 CB ASN A 88 3.125 2.039 14.092 1.00 0.65 C ATOM 1367 CG ASN A 88 3.237 0.836 15.007 1.00 1.56 C ATOM 1368 OD1 ASN A 88 3.215 -0.308 14.552 1.00 2.56 O ATOM 1369 ND2 ASN A 88 3.355 1.088 16.305 1.00 1.79 N ATOM 0 H ASN A 88 2.523 3.896 12.593 1.00 0.49 H new ATOM 0 HA ASN A 88 1.095 1.666 13.494 1.00 0.56 H new ATOM 0 HB2 ASN A 88 3.558 1.796 13.122 1.00 0.65 H new ATOM 0 HB3 ASN A 88 3.709 2.862 14.505 1.00 0.65 H new ATOM 0 HD21 ASN A 88 3.432 0.318 16.969 1.00 1.79 H new ATOM 0 HD22 ASN A 88 3.369 2.052 16.638 1.00 1.79 H new ATOM 1376 N LYS A 89 0.997 4.192 15.495 1.00 0.56 N ATOM 1377 CA LYS A 89 0.432 4.697 16.740 1.00 0.63 C ATOM 1378 C LYS A 89 -1.009 4.221 16.909 1.00 0.61 C ATOM 1379 O LYS A 89 -1.482 4.021 18.027 1.00 0.77 O ATOM 1380 CB LYS A 89 0.489 6.226 16.768 1.00 0.72 C ATOM 1381 CG LYS A 89 1.884 6.792 16.540 1.00 1.41 C ATOM 1382 CD LYS A 89 2.850 6.379 17.643 1.00 1.89 C ATOM 1383 CE LYS A 89 2.481 7.011 18.974 1.00 2.63 C ATOM 1384 NZ LYS A 89 2.525 8.498 18.916 1.00 3.20 N ATOM 0 H LYS A 89 1.322 4.916 14.854 1.00 0.56 H new ATOM 0 HA LYS A 89 1.024 4.308 17.568 1.00 0.63 H new ATOM 0 HB2 LYS A 89 -0.182 6.620 16.005 1.00 0.72 H new ATOM 0 HB3 LYS A 89 0.117 6.577 17.731 1.00 0.72 H new ATOM 0 HG2 LYS A 89 2.263 6.448 15.578 1.00 1.41 H new ATOM 0 HG3 LYS A 89 1.831 7.880 16.492 1.00 1.41 H new ATOM 0 HD2 LYS A 89 2.848 5.293 17.742 1.00 1.89 H new ATOM 0 HD3 LYS A 89 3.863 6.672 17.369 1.00 1.89 H new ATOM 0 HE2 LYS A 89 1.481 6.689 19.263 1.00 2.63 H new ATOM 0 HE3 LYS A 89 3.165 6.658 19.745 1.00 2.63 H new ATOM 0 HZ1 LYS A 89 2.554 8.882 19.882 1.00 3.20 H new ATOM 0 HZ2 LYS A 89 3.374 8.800 18.397 1.00 3.20 H new ATOM 0 HZ3 LYS A 89 1.677 8.852 18.428 1.00 3.20 H new ATOM 1398 N GLU A 90 -1.697 4.042 15.785 1.00 0.52 N ATOM 1399 CA GLU A 90 -3.083 3.585 15.798 1.00 0.55 C ATOM 1400 C GLU A 90 -3.240 2.322 14.956 1.00 0.41 C ATOM 1401 O GLU A 90 -4.345 1.797 14.805 1.00 0.42 O ATOM 1402 CB GLU A 90 -4.012 4.681 15.271 1.00 0.72 C ATOM 1403 CG GLU A 90 -3.964 5.964 16.085 1.00 0.91 C ATOM 1404 CD GLU A 90 -4.955 7.001 15.595 1.00 1.03 C ATOM 1405 OE1 GLU A 90 -4.594 7.790 14.695 1.00 1.61 O ATOM 1406 OE2 GLU A 90 -6.092 7.025 16.110 1.00 1.04 O ATOM 0 H GLU A 90 -1.317 4.207 14.853 1.00 0.52 H new ATOM 0 HA GLU A 90 -3.356 3.355 16.828 1.00 0.55 H new ATOM 0 HB2 GLU A 90 -3.745 4.906 14.238 1.00 0.72 H new ATOM 0 HB3 GLU A 90 -5.035 4.305 15.262 1.00 0.72 H new ATOM 0 HG2 GLU A 90 -4.170 5.735 17.130 1.00 0.91 H new ATOM 0 HG3 GLU A 90 -2.957 6.380 16.042 1.00 0.91 H new ATOM 1413 N HIS A 91 -2.124 1.845 14.409 1.00 0.33 N ATOM 1414 CA HIS A 91 -2.117 0.643 13.579 1.00 0.29 C ATOM 1415 C HIS A 91 -3.074 0.781 12.396 1.00 0.29 C ATOM 1416 O HIS A 91 -3.733 -0.182 12.005 1.00 0.34 O ATOM 1417 CB HIS A 91 -2.494 -0.585 14.413 1.00 0.38 C ATOM 1418 CG HIS A 91 -1.575 -0.833 15.567 1.00 0.49 C ATOM 1419 ND1 HIS A 91 -1.987 -0.780 16.882 1.00 1.11 N ATOM 1420 CD2 HIS A 91 -0.258 -1.150 15.600 1.00 1.24 C ATOM 1421 CE1 HIS A 91 -0.963 -1.051 17.674 1.00 0.91 C ATOM 1422 NE2 HIS A 91 0.096 -1.280 16.920 1.00 0.95 N ATOM 0 H HIS A 91 -1.207 2.276 14.527 1.00 0.33 H new ATOM 0 HA HIS A 91 -1.107 0.515 13.189 1.00 0.29 H new ATOM 0 HB2 HIS A 91 -3.509 -0.460 14.789 1.00 0.38 H new ATOM 0 HB3 HIS A 91 -2.499 -1.464 13.768 1.00 0.38 H new ATOM 0 HD2 HIS A 91 0.392 -1.277 14.747 1.00 1.24 H new ATOM 0 HE1 HIS A 91 -0.989 -1.080 18.753 1.00 0.91 H new ATOM 0 HE2 HIS A 91 1.027 -1.516 17.263 1.00 0.95 H new ATOM 1431 N SER A 92 -3.141 1.983 11.826 1.00 0.34 N ATOM 1432 CA SER A 92 -4.025 2.238 10.691 1.00 0.44 C ATOM 1433 C SER A 92 -3.347 3.125 9.650 1.00 0.35 C ATOM 1434 O SER A 92 -2.377 3.823 9.948 1.00 0.30 O ATOM 1435 CB SER A 92 -5.321 2.895 11.170 1.00 0.61 C ATOM 1436 OG SER A 92 -5.060 4.132 11.810 1.00 1.33 O ATOM 0 H SER A 92 -2.597 2.791 12.129 1.00 0.34 H new ATOM 0 HA SER A 92 -4.256 1.281 10.224 1.00 0.44 H new ATOM 0 HB2 SER A 92 -5.987 3.054 10.322 1.00 0.61 H new ATOM 0 HB3 SER A 92 -5.838 2.227 11.859 1.00 0.61 H new ATOM 0 HG SER A 92 -5.904 4.532 12.105 1.00 1.33 H new ATOM 1442 N VAL A 93 -3.867 3.088 8.427 1.00 0.38 N ATOM 1443 CA VAL A 93 -3.325 3.889 7.335 1.00 0.33 C ATOM 1444 C VAL A 93 -4.218 5.091 7.048 1.00 0.29 C ATOM 1445 O VAL A 93 -5.431 4.950 6.896 1.00 0.31 O ATOM 1446 CB VAL A 93 -3.179 3.054 6.046 1.00 0.40 C ATOM 1447 CG1 VAL A 93 -2.608 3.899 4.916 1.00 0.84 C ATOM 1448 CG2 VAL A 93 -2.307 1.831 6.294 1.00 1.20 C ATOM 0 H VAL A 93 -4.666 2.510 8.167 1.00 0.38 H new ATOM 0 HA VAL A 93 -2.340 4.234 7.649 1.00 0.33 H new ATOM 0 HB VAL A 93 -4.171 2.713 5.748 1.00 0.40 H new ATOM 0 HG11 VAL A 93 -2.514 3.289 4.017 1.00 0.84 H new ATOM 0 HG12 VAL A 93 -3.274 4.738 4.717 1.00 0.84 H new ATOM 0 HG13 VAL A 93 -1.626 4.275 5.203 1.00 0.84 H new ATOM 0 HG21 VAL A 93 -2.217 1.256 5.373 1.00 1.20 H new ATOM 0 HG22 VAL A 93 -1.317 2.150 6.621 1.00 1.20 H new ATOM 0 HG23 VAL A 93 -2.762 1.210 7.066 1.00 1.20 H new ATOM 1458 N GLU A 94 -3.612 6.274 6.975 1.00 0.30 N ATOM 1459 CA GLU A 94 -4.362 7.497 6.709 1.00 0.31 C ATOM 1460 C GLU A 94 -3.725 8.302 5.582 1.00 0.27 C ATOM 1461 O GLU A 94 -2.531 8.174 5.312 1.00 0.29 O ATOM 1462 CB GLU A 94 -4.450 8.353 7.974 1.00 0.39 C ATOM 1463 CG GLU A 94 -5.142 7.657 9.134 1.00 0.67 C ATOM 1464 CD GLU A 94 -5.233 8.534 10.369 1.00 1.47 C ATOM 1465 OE1 GLU A 94 -4.286 8.511 11.183 1.00 2.41 O ATOM 1466 OE2 GLU A 94 -6.250 9.242 10.521 1.00 1.54 O ATOM 0 H GLU A 94 -2.608 6.410 7.096 1.00 0.30 H new ATOM 0 HA GLU A 94 -5.367 7.210 6.399 1.00 0.31 H new ATOM 0 HB2 GLU A 94 -3.443 8.638 8.281 1.00 0.39 H new ATOM 0 HB3 GLU A 94 -4.985 9.274 7.743 1.00 0.39 H new ATOM 0 HG2 GLU A 94 -6.145 7.360 8.829 1.00 0.67 H new ATOM 0 HG3 GLU A 94 -4.601 6.744 9.380 1.00 0.67 H new ATOM 1473 N LEU A 95 -4.533 9.131 4.926 1.00 0.31 N ATOM 1474 CA LEU A 95 -4.055 9.963 3.829 1.00 0.32 C ATOM 1475 C LEU A 95 -3.541 11.301 4.352 1.00 0.29 C ATOM 1476 O LEU A 95 -4.295 12.079 4.936 1.00 0.37 O ATOM 1477 CB LEU A 95 -5.173 10.198 2.806 1.00 0.44 C ATOM 1478 CG LEU A 95 -5.622 8.959 2.024 1.00 0.50 C ATOM 1479 CD1 LEU A 95 -6.411 8.010 2.914 1.00 1.11 C ATOM 1480 CD2 LEU A 95 -6.450 9.367 0.815 1.00 0.62 C ATOM 0 H LEU A 95 -5.525 9.243 5.137 1.00 0.31 H new ATOM 0 HA LEU A 95 -3.234 9.439 3.340 1.00 0.32 H new ATOM 0 HB2 LEU A 95 -6.037 10.611 3.327 1.00 0.44 H new ATOM 0 HB3 LEU A 95 -4.838 10.953 2.095 1.00 0.44 H new ATOM 0 HG LEU A 95 -4.732 8.435 1.677 1.00 0.50 H new ATOM 0 HD11 LEU A 95 -6.718 7.139 2.335 1.00 1.11 H new ATOM 0 HD12 LEU A 95 -5.787 7.690 3.748 1.00 1.11 H new ATOM 0 HD13 LEU A 95 -7.294 8.521 3.297 1.00 1.11 H new ATOM 0 HD21 LEU A 95 -6.761 8.476 0.270 1.00 0.62 H new ATOM 0 HD22 LEU A 95 -7.331 9.916 1.146 1.00 0.62 H new ATOM 0 HD23 LEU A 95 -5.851 10.002 0.161 1.00 0.62 H new ATOM 1492 N HIS A 96 -2.253 11.563 4.141 1.00 0.25 N ATOM 1493 CA HIS A 96 -1.643 12.808 4.600 1.00 0.30 C ATOM 1494 C HIS A 96 -0.995 13.563 3.443 1.00 0.25 C ATOM 1495 O HIS A 96 -0.454 12.957 2.518 1.00 0.22 O ATOM 1496 CB HIS A 96 -0.600 12.521 5.681 1.00 0.39 C ATOM 1497 CG HIS A 96 -1.176 11.920 6.926 1.00 0.73 C ATOM 1498 ND1 HIS A 96 -1.363 12.637 8.089 1.00 1.24 N ATOM 1499 CD2 HIS A 96 -1.602 10.663 7.188 1.00 1.11 C ATOM 1500 CE1 HIS A 96 -1.879 11.846 9.014 1.00 1.64 C ATOM 1501 NE2 HIS A 96 -2.034 10.643 8.491 1.00 1.57 N ATOM 0 H HIS A 96 -1.614 10.932 3.657 1.00 0.25 H new ATOM 0 HA HIS A 96 -2.432 13.433 5.019 1.00 0.30 H new ATOM 0 HB2 HIS A 96 0.154 11.845 5.277 1.00 0.39 H new ATOM 0 HB3 HIS A 96 -0.090 13.450 5.938 1.00 0.39 H new ATOM 0 HD1 HIS A 96 -1.138 13.624 8.216 1.00 1.24 H new ATOM 0 HD2 HIS A 96 -1.602 9.830 6.500 1.00 1.11 H new ATOM 0 HE1 HIS A 96 -2.131 12.134 10.024 1.00 1.64 H new ATOM 1510 N LYS A 97 -1.051 14.889 3.505 1.00 0.32 N ATOM 1511 CA LYS A 97 -0.469 15.732 2.466 1.00 0.32 C ATOM 1512 C LYS A 97 0.717 16.523 3.009 1.00 0.34 C ATOM 1513 O LYS A 97 0.560 17.373 3.885 1.00 0.50 O ATOM 1514 CB LYS A 97 -1.524 16.688 1.906 1.00 0.39 C ATOM 1515 CG LYS A 97 -0.977 17.678 0.892 1.00 0.42 C ATOM 1516 CD LYS A 97 -2.078 18.559 0.326 1.00 0.53 C ATOM 1517 CE LYS A 97 -1.524 19.595 -0.638 1.00 1.29 C ATOM 1518 NZ LYS A 97 -2.600 20.439 -1.227 1.00 2.10 N ATOM 0 H LYS A 97 -1.494 15.404 4.265 1.00 0.32 H new ATOM 0 HA LYS A 97 -0.114 15.086 1.664 1.00 0.32 H new ATOM 0 HB2 LYS A 97 -2.318 16.105 1.439 1.00 0.39 H new ATOM 0 HB3 LYS A 97 -1.976 17.239 2.731 1.00 0.39 H new ATOM 0 HG2 LYS A 97 -0.217 18.301 1.363 1.00 0.42 H new ATOM 0 HG3 LYS A 97 -0.488 17.138 0.081 1.00 0.42 H new ATOM 0 HD2 LYS A 97 -2.813 17.939 -0.188 1.00 0.53 H new ATOM 0 HD3 LYS A 97 -2.599 19.061 1.141 1.00 0.53 H new ATOM 0 HE2 LYS A 97 -0.809 20.231 -0.116 1.00 1.29 H new ATOM 0 HE3 LYS A 97 -0.979 19.092 -1.437 1.00 1.29 H new ATOM 0 HZ1 LYS A 97 -2.180 21.132 -1.878 1.00 2.10 H new ATOM 0 HZ2 LYS A 97 -3.269 19.836 -1.747 1.00 2.10 H new ATOM 0 HZ3 LYS A 97 -3.104 20.939 -0.467 1.00 2.10 H new ATOM 1532 N CYS A 98 1.904 16.240 2.479 1.00 0.37 N ATOM 1533 CA CYS A 98 3.118 16.923 2.913 1.00 0.43 C ATOM 1534 C CYS A 98 3.971 17.336 1.718 1.00 0.40 C ATOM 1535 O CYS A 98 3.596 17.109 0.567 1.00 0.37 O ATOM 1536 CB CYS A 98 3.929 16.026 3.849 1.00 0.49 C ATOM 1537 SG CYS A 98 3.040 15.519 5.341 1.00 1.10 S ATOM 0 H CYS A 98 2.050 15.543 1.749 1.00 0.37 H new ATOM 0 HA CYS A 98 2.822 17.823 3.452 1.00 0.43 H new ATOM 0 HB2 CYS A 98 4.238 15.135 3.303 1.00 0.49 H new ATOM 0 HB3 CYS A 98 4.838 16.552 4.142 1.00 0.49 H new ATOM 0 HG CYS A 98 3.808 14.762 6.067 1.00 1.10 H new ATOM 1543 N GLU A 99 5.119 17.943 1.999 1.00 0.46 N ATOM 1544 CA GLU A 99 6.028 18.394 0.950 1.00 0.47 C ATOM 1545 C GLU A 99 6.510 17.225 0.092 1.00 0.42 C ATOM 1546 O GLU A 99 6.193 16.068 0.369 1.00 0.38 O ATOM 1547 CB GLU A 99 7.228 19.122 1.561 1.00 0.53 C ATOM 1548 CG GLU A 99 6.840 20.279 2.469 1.00 1.09 C ATOM 1549 CD GLU A 99 6.014 21.332 1.756 1.00 1.85 C ATOM 1550 OE1 GLU A 99 6.609 22.188 1.071 1.00 2.07 O ATOM 1551 OE2 GLU A 99 4.771 21.300 1.884 1.00 2.55 O ATOM 0 H GLU A 99 5.443 18.135 2.947 1.00 0.46 H new ATOM 0 HA GLU A 99 5.479 19.084 0.309 1.00 0.47 H new ATOM 0 HB2 GLU A 99 7.824 18.409 2.130 1.00 0.53 H new ATOM 0 HB3 GLU A 99 7.862 19.498 0.758 1.00 0.53 H new ATOM 0 HG2 GLU A 99 6.276 19.895 3.319 1.00 1.09 H new ATOM 0 HG3 GLU A 99 7.743 20.741 2.868 1.00 1.09 H new ATOM 1558 N LYS A 100 7.271 17.540 -0.953 1.00 0.45 N ATOM 1559 CA LYS A 100 7.798 16.523 -1.858 1.00 0.46 C ATOM 1560 C LYS A 100 8.544 15.416 -1.102 1.00 0.45 C ATOM 1561 O LYS A 100 8.263 14.235 -1.311 1.00 0.45 O ATOM 1562 CB LYS A 100 8.715 17.169 -2.907 1.00 0.52 C ATOM 1563 CG LYS A 100 9.533 16.170 -3.716 1.00 0.56 C ATOM 1564 CD LYS A 100 8.653 15.146 -4.420 1.00 0.60 C ATOM 1565 CE LYS A 100 7.721 15.804 -5.427 1.00 0.96 C ATOM 1566 NZ LYS A 100 6.925 14.798 -6.185 1.00 1.77 N ATOM 0 H LYS A 100 7.537 18.495 -1.194 1.00 0.45 H new ATOM 0 HA LYS A 100 6.950 16.059 -2.362 1.00 0.46 H new ATOM 0 HB2 LYS A 100 8.107 17.762 -3.590 1.00 0.52 H new ATOM 0 HB3 LYS A 100 9.395 17.858 -2.405 1.00 0.52 H new ATOM 0 HG2 LYS A 100 10.129 16.705 -4.456 1.00 0.56 H new ATOM 0 HG3 LYS A 100 10.231 15.655 -3.056 1.00 0.56 H new ATOM 0 HD2 LYS A 100 9.281 14.415 -4.929 1.00 0.60 H new ATOM 0 HD3 LYS A 100 8.065 14.602 -3.681 1.00 0.60 H new ATOM 0 HE2 LYS A 100 7.046 16.484 -4.907 1.00 0.96 H new ATOM 0 HE3 LYS A 100 8.305 16.405 -6.124 1.00 0.96 H new ATOM 0 HZ1 LYS A 100 6.303 15.285 -6.861 1.00 1.77 H new ATOM 0 HZ2 LYS A 100 7.568 14.164 -6.701 1.00 1.77 H new ATOM 0 HZ3 LYS A 100 6.348 14.241 -5.523 1.00 1.77 H new ATOM 1580 N PRO A 101 9.504 15.769 -0.217 1.00 0.46 N ATOM 1581 CA PRO A 101 10.269 14.775 0.548 1.00 0.48 C ATOM 1582 C PRO A 101 9.380 13.717 1.198 1.00 0.42 C ATOM 1583 O PRO A 101 8.838 13.927 2.284 1.00 0.45 O ATOM 1584 CB PRO A 101 10.964 15.614 1.620 1.00 0.55 C ATOM 1585 CG PRO A 101 11.122 16.958 0.999 1.00 0.64 C ATOM 1586 CD PRO A 101 9.925 17.148 0.107 1.00 0.48 C ATOM 0 HA PRO A 101 10.951 14.214 -0.090 1.00 0.48 H new ATOM 0 HB2 PRO A 101 10.368 15.666 2.531 1.00 0.55 H new ATOM 0 HB3 PRO A 101 11.929 15.188 1.894 1.00 0.55 H new ATOM 0 HG2 PRO A 101 11.168 17.736 1.761 1.00 0.64 H new ATOM 0 HG3 PRO A 101 12.048 17.017 0.427 1.00 0.64 H new ATOM 0 HD2 PRO A 101 9.133 17.700 0.613 1.00 0.48 H new ATOM 0 HD3 PRO A 101 10.181 17.710 -0.791 1.00 0.48 H new ATOM 1594 N LEU A 102 9.232 12.581 0.522 1.00 0.40 N ATOM 1595 CA LEU A 102 8.415 11.486 1.032 1.00 0.36 C ATOM 1596 C LEU A 102 9.189 10.674 2.074 1.00 0.37 C ATOM 1597 O LEU A 102 10.237 10.107 1.765 1.00 0.45 O ATOM 1598 CB LEU A 102 7.976 10.573 -0.116 1.00 0.38 C ATOM 1599 CG LEU A 102 7.193 11.261 -1.237 1.00 0.41 C ATOM 1600 CD1 LEU A 102 6.967 10.302 -2.395 1.00 0.50 C ATOM 1601 CD2 LEU A 102 5.864 11.791 -0.719 1.00 0.45 C ATOM 0 H LEU A 102 9.668 12.395 -0.381 1.00 0.40 H new ATOM 0 HA LEU A 102 7.531 11.912 1.507 1.00 0.36 H new ATOM 0 HB2 LEU A 102 8.862 10.108 -0.547 1.00 0.38 H new ATOM 0 HB3 LEU A 102 7.362 9.771 0.294 1.00 0.38 H new ATOM 0 HG LEU A 102 7.782 12.105 -1.596 1.00 0.41 H new ATOM 0 HD11 LEU A 102 6.409 10.808 -3.183 1.00 0.50 H new ATOM 0 HD12 LEU A 102 7.929 9.971 -2.787 1.00 0.50 H new ATOM 0 HD13 LEU A 102 6.401 9.438 -2.047 1.00 0.50 H new ATOM 0 HD21 LEU A 102 5.324 12.276 -1.532 1.00 0.45 H new ATOM 0 HD22 LEU A 102 5.269 10.964 -0.331 1.00 0.45 H new ATOM 0 HD23 LEU A 102 6.046 12.513 0.077 1.00 0.45 H new ATOM 1613 N PRO A 103 8.690 10.607 3.326 1.00 0.37 N ATOM 1614 CA PRO A 103 9.353 9.853 4.396 1.00 0.40 C ATOM 1615 C PRO A 103 9.236 8.347 4.196 1.00 0.35 C ATOM 1616 O PRO A 103 8.569 7.888 3.268 1.00 0.30 O ATOM 1617 CB PRO A 103 8.603 10.286 5.655 1.00 0.47 C ATOM 1618 CG PRO A 103 7.250 10.676 5.173 1.00 0.46 C ATOM 1619 CD PRO A 103 7.451 11.258 3.799 1.00 0.42 C ATOM 0 HA PRO A 103 10.424 10.054 4.434 1.00 0.40 H new ATOM 0 HB2 PRO A 103 8.546 9.475 6.381 1.00 0.47 H new ATOM 0 HB3 PRO A 103 9.104 11.120 6.147 1.00 0.47 H new ATOM 0 HG2 PRO A 103 6.585 9.813 5.138 1.00 0.46 H new ATOM 0 HG3 PRO A 103 6.792 11.405 5.842 1.00 0.46 H new ATOM 0 HD2 PRO A 103 6.608 11.040 3.144 1.00 0.42 H new ATOM 0 HD3 PRO A 103 7.556 12.342 3.834 1.00 0.42 H new ATOM 1627 N ASP A 104 9.888 7.580 5.065 1.00 0.40 N ATOM 1628 CA ASP A 104 9.855 6.123 4.973 1.00 0.41 C ATOM 1629 C ASP A 104 8.420 5.604 4.968 1.00 0.41 C ATOM 1630 O ASP A 104 8.076 4.710 4.192 1.00 0.54 O ATOM 1631 CB ASP A 104 10.630 5.499 6.134 1.00 0.52 C ATOM 1632 CG ASP A 104 12.099 5.868 6.111 1.00 1.05 C ATOM 1633 OD1 ASP A 104 12.461 6.903 6.711 1.00 1.45 O ATOM 1634 OD2 ASP A 104 12.888 5.122 5.495 1.00 1.57 O ATOM 0 H ASP A 104 10.445 7.942 5.839 1.00 0.40 H new ATOM 0 HA ASP A 104 10.327 5.837 4.033 1.00 0.41 H new ATOM 0 HB2 ASP A 104 10.191 5.824 7.077 1.00 0.52 H new ATOM 0 HB3 ASP A 104 10.530 4.414 6.093 1.00 0.52 H new ATOM 1639 N GLN A 105 7.586 6.170 5.835 1.00 0.36 N ATOM 1640 CA GLN A 105 6.188 5.763 5.934 1.00 0.39 C ATOM 1641 C GLN A 105 5.469 5.925 4.598 1.00 0.34 C ATOM 1642 O GLN A 105 4.461 5.265 4.342 1.00 0.42 O ATOM 1643 CB GLN A 105 5.473 6.578 7.012 1.00 0.48 C ATOM 1644 CG GLN A 105 5.994 6.323 8.417 1.00 0.67 C ATOM 1645 CD GLN A 105 5.303 7.180 9.458 1.00 0.83 C ATOM 1646 OE1 GLN A 105 4.874 8.299 9.172 1.00 1.41 O ATOM 1647 NE2 GLN A 105 5.190 6.660 10.673 1.00 1.65 N ATOM 0 H GLN A 105 7.854 6.913 6.480 1.00 0.36 H new ATOM 0 HA GLN A 105 6.166 4.708 6.208 1.00 0.39 H new ATOM 0 HB2 GLN A 105 5.577 7.638 6.782 1.00 0.48 H new ATOM 0 HB3 GLN A 105 4.408 6.349 6.982 1.00 0.48 H new ATOM 0 HG2 GLN A 105 5.855 5.271 8.667 1.00 0.67 H new ATOM 0 HG3 GLN A 105 7.066 6.518 8.444 1.00 0.67 H new ATOM 0 HE21 GLN A 105 5.560 5.729 10.866 1.00 1.65 H new ATOM 0 HE22 GLN A 105 4.733 7.191 11.415 1.00 1.65 H new ATOM 1656 N ALA A 106 5.991 6.805 3.749 1.00 0.31 N ATOM 1657 CA ALA A 106 5.396 7.050 2.442 1.00 0.30 C ATOM 1658 C ALA A 106 5.881 6.034 1.414 1.00 0.31 C ATOM 1659 O ALA A 106 5.765 6.254 0.209 1.00 0.62 O ATOM 1660 CB ALA A 106 5.711 8.461 1.971 1.00 0.31 C ATOM 0 H ALA A 106 6.825 7.360 3.944 1.00 0.31 H new ATOM 0 HA ALA A 106 4.316 6.942 2.543 1.00 0.30 H new ATOM 0 HB1 ALA A 106 5.259 8.628 0.993 1.00 0.31 H new ATOM 0 HB2 ALA A 106 5.309 9.181 2.684 1.00 0.31 H new ATOM 0 HB3 ALA A 106 6.791 8.588 1.898 1.00 0.31 H new ATOM 1666 N PHE A 107 6.425 4.921 1.896 1.00 0.21 N ATOM 1667 CA PHE A 107 6.923 3.869 1.017 1.00 0.19 C ATOM 1668 C PHE A 107 6.618 2.492 1.594 1.00 0.18 C ATOM 1669 O PHE A 107 6.999 2.184 2.723 1.00 0.24 O ATOM 1670 CB PHE A 107 8.430 4.018 0.800 1.00 0.23 C ATOM 1671 CG PHE A 107 8.805 5.226 -0.011 1.00 0.19 C ATOM 1672 CD1 PHE A 107 8.664 5.221 -1.389 1.00 0.22 C ATOM 1673 CD2 PHE A 107 9.299 6.364 0.605 1.00 0.26 C ATOM 1674 CE1 PHE A 107 9.008 6.330 -2.137 1.00 0.22 C ATOM 1675 CE2 PHE A 107 9.645 7.475 -0.139 1.00 0.27 C ATOM 1676 CZ PHE A 107 9.500 7.459 -1.513 1.00 0.21 C ATOM 0 H PHE A 107 6.532 4.724 2.891 1.00 0.21 H new ATOM 0 HA PHE A 107 6.416 3.966 0.057 1.00 0.19 H new ATOM 0 HB2 PHE A 107 8.924 4.074 1.770 1.00 0.23 H new ATOM 0 HB3 PHE A 107 8.807 3.125 0.301 1.00 0.23 H new ATOM 0 HD1 PHE A 107 8.281 4.341 -1.884 1.00 0.22 H new ATOM 0 HD2 PHE A 107 9.415 6.383 1.679 1.00 0.26 H new ATOM 0 HE1 PHE A 107 8.892 6.314 -3.211 1.00 0.22 H new ATOM 0 HE2 PHE A 107 10.029 8.356 0.353 1.00 0.27 H new ATOM 0 HZ PHE A 107 9.771 8.326 -2.097 1.00 0.21 H new ATOM 1686 N PHE A 108 5.929 1.667 0.814 1.00 0.16 N ATOM 1687 CA PHE A 108 5.575 0.322 1.253 1.00 0.17 C ATOM 1688 C PHE A 108 6.291 -0.731 0.414 1.00 0.18 C ATOM 1689 O PHE A 108 6.173 -0.745 -0.807 1.00 0.27 O ATOM 1690 CB PHE A 108 4.062 0.120 1.161 1.00 0.17 C ATOM 1691 CG PHE A 108 3.277 1.153 1.916 1.00 0.20 C ATOM 1692 CD1 PHE A 108 3.183 1.098 3.296 1.00 0.26 C ATOM 1693 CD2 PHE A 108 2.634 2.183 1.245 1.00 0.27 C ATOM 1694 CE1 PHE A 108 2.464 2.048 3.994 1.00 0.30 C ATOM 1695 CE2 PHE A 108 1.914 3.136 1.938 1.00 0.32 C ATOM 1696 CZ PHE A 108 1.829 3.069 3.315 1.00 0.32 C ATOM 0 H PHE A 108 5.605 1.905 -0.123 1.00 0.16 H new ATOM 0 HA PHE A 108 5.890 0.209 2.290 1.00 0.17 H new ATOM 0 HB2 PHE A 108 3.763 0.141 0.113 1.00 0.17 H new ATOM 0 HB3 PHE A 108 3.811 -0.869 1.544 1.00 0.17 H new ATOM 0 HD1 PHE A 108 3.678 0.302 3.833 1.00 0.26 H new ATOM 0 HD2 PHE A 108 2.697 2.240 0.168 1.00 0.27 H new ATOM 0 HE1 PHE A 108 2.398 1.992 5.071 1.00 0.30 H new ATOM 0 HE2 PHE A 108 1.418 3.933 1.404 1.00 0.32 H new ATOM 0 HZ PHE A 108 1.267 3.814 3.859 1.00 0.32 H new ATOM 1706 N VAL A 109 7.038 -1.607 1.076 1.00 0.17 N ATOM 1707 CA VAL A 109 7.760 -2.661 0.377 1.00 0.18 C ATOM 1708 C VAL A 109 6.794 -3.739 -0.097 1.00 0.20 C ATOM 1709 O VAL A 109 6.176 -4.430 0.709 1.00 0.22 O ATOM 1710 CB VAL A 109 8.842 -3.297 1.273 1.00 0.21 C ATOM 1711 CG1 VAL A 109 9.541 -4.437 0.554 1.00 0.23 C ATOM 1712 CG2 VAL A 109 9.852 -2.251 1.712 1.00 0.21 C ATOM 0 H VAL A 109 7.159 -1.608 2.089 1.00 0.17 H new ATOM 0 HA VAL A 109 8.251 -2.206 -0.483 1.00 0.18 H new ATOM 0 HB VAL A 109 8.352 -3.702 2.158 1.00 0.21 H new ATOM 0 HG11 VAL A 109 10.299 -4.869 1.207 1.00 0.23 H new ATOM 0 HG12 VAL A 109 8.811 -5.202 0.290 1.00 0.23 H new ATOM 0 HG13 VAL A 109 10.015 -4.060 -0.352 1.00 0.23 H new ATOM 0 HG21 VAL A 109 10.608 -2.718 2.343 1.00 0.21 H new ATOM 0 HG22 VAL A 109 10.330 -1.816 0.834 1.00 0.21 H new ATOM 0 HG23 VAL A 109 9.343 -1.467 2.274 1.00 0.21 H new ATOM 1722 N LEU A 110 6.664 -3.874 -1.413 1.00 0.24 N ATOM 1723 CA LEU A 110 5.760 -4.858 -1.994 1.00 0.27 C ATOM 1724 C LEU A 110 6.322 -6.269 -1.865 1.00 0.25 C ATOM 1725 O LEU A 110 7.514 -6.496 -2.072 1.00 0.30 O ATOM 1726 CB LEU A 110 5.497 -4.537 -3.466 1.00 0.35 C ATOM 1727 CG LEU A 110 4.403 -5.377 -4.129 1.00 0.48 C ATOM 1728 CD1 LEU A 110 3.048 -5.085 -3.501 1.00 0.89 C ATOM 1729 CD2 LEU A 110 4.365 -5.112 -5.626 1.00 1.01 C ATOM 0 H LEU A 110 7.174 -3.314 -2.096 1.00 0.24 H new ATOM 0 HA LEU A 110 4.821 -4.811 -1.443 1.00 0.27 H new ATOM 0 HB2 LEU A 110 5.226 -3.485 -3.549 1.00 0.35 H new ATOM 0 HB3 LEU A 110 6.424 -4.672 -4.022 1.00 0.35 H new ATOM 0 HG LEU A 110 4.634 -6.430 -3.970 1.00 0.48 H new ATOM 0 HD11 LEU A 110 2.284 -5.692 -3.986 1.00 0.89 H new ATOM 0 HD12 LEU A 110 3.081 -5.324 -2.438 1.00 0.89 H new ATOM 0 HD13 LEU A 110 2.808 -4.029 -3.628 1.00 0.89 H new ATOM 0 HD21 LEU A 110 3.582 -5.717 -6.083 1.00 1.01 H new ATOM 0 HD22 LEU A 110 4.158 -4.057 -5.804 1.00 1.01 H new ATOM 0 HD23 LEU A 110 5.328 -5.372 -6.066 1.00 1.01 H new ATOM 1741 N HIS A 111 5.450 -7.212 -1.521 1.00 0.24 N ATOM 1742 CA HIS A 111 5.846 -8.607 -1.369 1.00 0.26 C ATOM 1743 C HIS A 111 4.891 -9.522 -2.127 1.00 0.25 C ATOM 1744 O HIS A 111 3.671 -9.353 -2.065 1.00 0.26 O ATOM 1745 CB HIS A 111 5.879 -9.000 0.110 1.00 0.27 C ATOM 1746 CG HIS A 111 7.045 -8.432 0.858 1.00 0.32 C ATOM 1747 ND1 HIS A 111 8.208 -9.136 1.086 1.00 0.55 N ATOM 1748 CD2 HIS A 111 7.221 -7.221 1.434 1.00 0.26 C ATOM 1749 CE1 HIS A 111 9.048 -8.383 1.774 1.00 0.55 C ATOM 1750 NE2 HIS A 111 8.474 -7.215 1.996 1.00 0.36 N ATOM 0 H HIS A 111 4.462 -7.034 -1.342 1.00 0.24 H new ATOM 0 HA HIS A 111 6.847 -8.721 -1.785 1.00 0.26 H new ATOM 0 HB2 HIS A 111 4.957 -8.667 0.586 1.00 0.27 H new ATOM 0 HB3 HIS A 111 5.904 -10.087 0.187 1.00 0.27 H new ATOM 0 HD2 HIS A 111 6.509 -6.409 1.449 1.00 0.26 H new ATOM 0 HE1 HIS A 111 10.036 -8.674 2.099 1.00 0.55 H new ATOM 0 HE2 HIS A 111 8.893 -6.435 2.503 1.00 0.36 H new ATOM 1759 N ASN A 112 5.452 -10.489 -2.844 1.00 0.29 N ATOM 1760 CA ASN A 112 4.652 -11.432 -3.616 1.00 0.30 C ATOM 1761 C ASN A 112 4.199 -12.598 -2.744 1.00 0.29 C ATOM 1762 O ASN A 112 5.021 -13.306 -2.161 1.00 0.44 O ATOM 1763 CB ASN A 112 5.454 -11.952 -4.810 1.00 0.46 C ATOM 1764 CG ASN A 112 4.676 -12.959 -5.635 1.00 1.42 C ATOM 1765 OD1 ASN A 112 3.449 -12.898 -5.716 1.00 2.14 O ATOM 1766 ND2 ASN A 112 5.389 -13.894 -6.254 1.00 2.13 N ATOM 0 H ASN A 112 6.459 -10.640 -2.907 1.00 0.29 H new ATOM 0 HA ASN A 112 3.768 -10.910 -3.982 1.00 0.30 H new ATOM 0 HB2 ASN A 112 5.743 -11.113 -5.443 1.00 0.46 H new ATOM 0 HB3 ASN A 112 6.375 -12.413 -4.453 1.00 0.46 H new ATOM 0 HD21 ASN A 112 4.921 -14.599 -6.824 1.00 2.13 H new ATOM 0 HD22 ASN A 112 6.405 -13.907 -6.159 1.00 2.13 H new ATOM 1773 N MET A 113 2.887 -12.794 -2.658 1.00 0.28 N ATOM 1774 CA MET A 113 2.324 -13.875 -1.858 1.00 0.36 C ATOM 1775 C MET A 113 1.793 -14.994 -2.746 1.00 0.40 C ATOM 1776 O MET A 113 2.328 -16.104 -2.747 1.00 0.46 O ATOM 1777 CB MET A 113 1.202 -13.345 -0.962 1.00 0.43 C ATOM 1778 CG MET A 113 1.668 -12.310 0.050 1.00 0.47 C ATOM 1779 SD MET A 113 2.895 -12.962 1.198 1.00 0.89 S ATOM 1780 CE MET A 113 1.935 -14.213 2.047 1.00 0.58 C ATOM 0 H MET A 113 2.193 -12.217 -3.134 1.00 0.28 H new ATOM 0 HA MET A 113 3.120 -14.280 -1.233 1.00 0.36 H new ATOM 0 HB2 MET A 113 0.426 -12.905 -1.588 1.00 0.43 H new ATOM 0 HB3 MET A 113 0.747 -14.181 -0.431 1.00 0.43 H new ATOM 0 HG2 MET A 113 2.089 -11.455 -0.479 1.00 0.47 H new ATOM 0 HG3 MET A 113 0.808 -11.945 0.612 1.00 0.47 H new ATOM 0 HE1 MET A 113 2.157 -14.180 3.114 1.00 0.58 H new ATOM 0 HE2 MET A 113 0.873 -14.024 1.891 1.00 0.58 H new ATOM 0 HE3 MET A 113 2.190 -15.197 1.653 1.00 0.58 H new ATOM 1790 N HIS A 114 0.742 -14.697 -3.504 1.00 0.45 N ATOM 1791 CA HIS A 114 0.139 -15.680 -4.396 1.00 0.51 C ATOM 1792 C HIS A 114 0.352 -15.296 -5.857 1.00 0.47 C ATOM 1793 O HIS A 114 1.233 -14.496 -6.178 1.00 0.46 O ATOM 1794 CB HIS A 114 -1.355 -15.814 -4.103 1.00 0.54 C ATOM 1795 CG HIS A 114 -1.651 -16.378 -2.748 1.00 0.67 C ATOM 1796 ND1 HIS A 114 -2.229 -17.615 -2.558 1.00 0.94 N ATOM 1797 CD2 HIS A 114 -1.446 -15.866 -1.511 1.00 1.39 C ATOM 1798 CE1 HIS A 114 -2.370 -17.840 -1.263 1.00 1.40 C ATOM 1799 NE2 HIS A 114 -1.902 -16.794 -0.607 1.00 1.75 N ATOM 0 H HIS A 114 0.290 -13.783 -3.518 1.00 0.45 H new ATOM 0 HA HIS A 114 0.625 -16.640 -4.220 1.00 0.51 H new ATOM 0 HB2 HIS A 114 -1.823 -14.834 -4.190 1.00 0.54 H new ATOM 0 HB3 HIS A 114 -1.810 -16.452 -4.861 1.00 0.54 H new ATOM 0 HD2 HIS A 114 -1.006 -14.907 -1.279 1.00 1.39 H new ATOM 0 HE1 HIS A 114 -2.795 -18.727 -0.818 1.00 1.40 H new ATOM 0 HE2 HIS A 114 -1.882 -16.692 0.408 1.00 1.75 H new ATOM 1808 N SER A 115 -0.458 -15.874 -6.739 1.00 0.49 N ATOM 1809 CA SER A 115 -0.361 -15.602 -8.169 1.00 0.54 C ATOM 1810 C SER A 115 -0.510 -14.111 -8.463 1.00 0.50 C ATOM 1811 O SER A 115 0.360 -13.505 -9.088 1.00 0.56 O ATOM 1812 CB SER A 115 -1.428 -16.389 -8.931 1.00 0.59 C ATOM 1813 OG SER A 115 -1.272 -17.784 -8.737 1.00 1.50 O ATOM 0 H SER A 115 -1.192 -16.536 -6.487 1.00 0.49 H new ATOM 0 HA SER A 115 0.628 -15.918 -8.501 1.00 0.54 H new ATOM 0 HB2 SER A 115 -2.419 -16.081 -8.597 1.00 0.59 H new ATOM 0 HB3 SER A 115 -1.364 -16.158 -9.994 1.00 0.59 H new ATOM 0 HG SER A 115 -1.968 -18.263 -9.234 1.00 1.50 H new ATOM 1819 N ASN A 116 -1.614 -13.526 -8.011 1.00 0.45 N ATOM 1820 CA ASN A 116 -1.874 -12.107 -8.239 1.00 0.50 C ATOM 1821 C ASN A 116 -1.973 -11.341 -6.923 1.00 0.44 C ATOM 1822 O ASN A 116 -1.879 -10.113 -6.903 1.00 0.66 O ATOM 1823 CB ASN A 116 -3.164 -11.929 -9.042 1.00 0.61 C ATOM 1824 CG ASN A 116 -3.129 -12.667 -10.368 1.00 1.08 C ATOM 1825 OD1 ASN A 116 -4.157 -13.135 -10.856 1.00 1.93 O ATOM 1826 ND2 ASN A 116 -1.944 -12.772 -10.959 1.00 1.68 N ATOM 0 H ASN A 116 -2.342 -14.010 -7.486 1.00 0.45 H new ATOM 0 HA ASN A 116 -1.036 -11.701 -8.806 1.00 0.50 H new ATOM 0 HB2 ASN A 116 -4.008 -12.288 -8.452 1.00 0.61 H new ATOM 0 HB3 ASN A 116 -3.331 -10.867 -9.225 1.00 0.61 H new ATOM 0 HD21 ASN A 116 -1.861 -13.256 -11.853 1.00 1.68 H new ATOM 0 HD22 ASN A 116 -1.117 -12.369 -10.519 1.00 1.68 H new ATOM 1833 N CYS A 117 -2.163 -12.069 -5.828 1.00 0.32 N ATOM 1834 CA CYS A 117 -2.276 -11.450 -4.512 1.00 0.32 C ATOM 1835 C CYS A 117 -0.935 -10.877 -4.066 1.00 0.28 C ATOM 1836 O CYS A 117 0.107 -11.511 -4.232 1.00 0.34 O ATOM 1837 CB CYS A 117 -2.773 -12.467 -3.483 1.00 0.43 C ATOM 1838 SG CYS A 117 -4.345 -13.248 -3.919 1.00 0.97 S ATOM 0 H CYS A 117 -2.242 -13.086 -5.825 1.00 0.32 H new ATOM 0 HA CYS A 117 -2.997 -10.636 -4.584 1.00 0.32 H new ATOM 0 HB2 CYS A 117 -2.016 -13.242 -3.359 1.00 0.43 H new ATOM 0 HB3 CYS A 117 -2.881 -11.970 -2.519 1.00 0.43 H new ATOM 0 HG CYS A 117 -5.274 -12.834 -3.110 1.00 0.97 H new ATOM 1844 N VAL A 118 -0.967 -9.674 -3.498 1.00 0.25 N ATOM 1845 CA VAL A 118 0.250 -9.021 -3.033 1.00 0.27 C ATOM 1846 C VAL A 118 0.066 -8.431 -1.639 1.00 0.24 C ATOM 1847 O VAL A 118 -1.059 -8.255 -1.170 1.00 0.28 O ATOM 1848 CB VAL A 118 0.686 -7.901 -3.997 1.00 0.37 C ATOM 1849 CG1 VAL A 118 0.998 -8.470 -5.370 1.00 0.46 C ATOM 1850 CG2 VAL A 118 -0.390 -6.829 -4.090 1.00 0.41 C ATOM 0 H VAL A 118 -1.820 -9.135 -3.350 1.00 0.25 H new ATOM 0 HA VAL A 118 1.024 -9.787 -2.998 1.00 0.27 H new ATOM 0 HB VAL A 118 1.593 -7.442 -3.604 1.00 0.37 H new ATOM 0 HG11 VAL A 118 1.304 -7.664 -6.037 1.00 0.46 H new ATOM 0 HG12 VAL A 118 1.805 -9.199 -5.287 1.00 0.46 H new ATOM 0 HG13 VAL A 118 0.110 -8.956 -5.773 1.00 0.46 H new ATOM 0 HG21 VAL A 118 -0.065 -6.046 -4.775 1.00 0.41 H new ATOM 0 HG22 VAL A 118 -1.315 -7.273 -4.458 1.00 0.41 H new ATOM 0 HG23 VAL A 118 -0.562 -6.399 -3.103 1.00 0.41 H new ATOM 1860 N SER A 119 1.182 -8.130 -0.980 1.00 0.24 N ATOM 1861 CA SER A 119 1.148 -7.553 0.361 1.00 0.23 C ATOM 1862 C SER A 119 2.007 -6.291 0.428 1.00 0.21 C ATOM 1863 O SER A 119 3.079 -6.226 -0.171 1.00 0.30 O ATOM 1864 CB SER A 119 1.640 -8.571 1.394 1.00 0.29 C ATOM 1865 OG SER A 119 0.805 -9.716 1.420 1.00 1.09 O ATOM 0 H SER A 119 2.120 -8.276 -1.352 1.00 0.24 H new ATOM 0 HA SER A 119 0.116 -7.287 0.589 1.00 0.23 H new ATOM 0 HB2 SER A 119 2.662 -8.868 1.158 1.00 0.29 H new ATOM 0 HB3 SER A 119 1.661 -8.110 2.382 1.00 0.29 H new ATOM 0 HG SER A 119 1.141 -10.351 2.086 1.00 1.09 H new ATOM 1871 N PHE A 120 1.525 -5.291 1.162 1.00 0.20 N ATOM 1872 CA PHE A 120 2.247 -4.030 1.309 1.00 0.18 C ATOM 1873 C PHE A 120 2.903 -3.937 2.685 1.00 0.18 C ATOM 1874 O PHE A 120 2.265 -3.544 3.661 1.00 0.27 O ATOM 1875 CB PHE A 120 1.295 -2.848 1.107 1.00 0.21 C ATOM 1876 CG PHE A 120 0.616 -2.845 -0.233 1.00 0.24 C ATOM 1877 CD1 PHE A 120 -0.543 -3.578 -0.441 1.00 0.28 C ATOM 1878 CD2 PHE A 120 1.136 -2.109 -1.287 1.00 0.40 C ATOM 1879 CE1 PHE A 120 -1.169 -3.576 -1.672 1.00 0.32 C ATOM 1880 CE2 PHE A 120 0.514 -2.103 -2.520 1.00 0.45 C ATOM 1881 CZ PHE A 120 -0.641 -2.837 -2.714 1.00 0.35 C ATOM 0 H PHE A 120 0.638 -5.329 1.664 1.00 0.20 H new ATOM 0 HA PHE A 120 3.028 -3.995 0.549 1.00 0.18 H new ATOM 0 HB2 PHE A 120 0.536 -2.866 1.889 1.00 0.21 H new ATOM 0 HB3 PHE A 120 1.853 -1.919 1.225 1.00 0.21 H new ATOM 0 HD1 PHE A 120 -0.961 -4.157 0.369 1.00 0.28 H new ATOM 0 HD2 PHE A 120 2.038 -1.534 -1.142 1.00 0.40 H new ATOM 0 HE1 PHE A 120 -2.071 -4.152 -1.820 1.00 0.32 H new ATOM 0 HE2 PHE A 120 0.930 -1.525 -3.332 1.00 0.45 H new ATOM 0 HZ PHE A 120 -1.130 -2.833 -3.677 1.00 0.35 H new ATOM 1891 N GLU A 121 4.182 -4.298 2.756 1.00 0.19 N ATOM 1892 CA GLU A 121 4.922 -4.259 4.014 1.00 0.19 C ATOM 1893 C GLU A 121 5.367 -2.839 4.348 1.00 0.19 C ATOM 1894 O GLU A 121 5.735 -2.067 3.461 1.00 0.19 O ATOM 1895 CB GLU A 121 6.146 -5.172 3.942 1.00 0.23 C ATOM 1896 CG GLU A 121 6.934 -5.242 5.242 1.00 0.29 C ATOM 1897 CD GLU A 121 8.208 -6.052 5.111 1.00 0.33 C ATOM 1898 OE1 GLU A 121 8.151 -7.286 5.305 1.00 0.45 O ATOM 1899 OE2 GLU A 121 9.265 -5.454 4.816 1.00 0.35 O ATOM 0 H GLU A 121 4.727 -4.621 1.957 1.00 0.19 H new ATOM 0 HA GLU A 121 4.254 -4.609 4.801 1.00 0.19 H new ATOM 0 HB2 GLU A 121 5.823 -6.177 3.668 1.00 0.23 H new ATOM 0 HB3 GLU A 121 6.804 -4.821 3.147 1.00 0.23 H new ATOM 0 HG2 GLU A 121 7.183 -4.231 5.566 1.00 0.29 H new ATOM 0 HG3 GLU A 121 6.308 -5.681 6.019 1.00 0.29 H new ATOM 1906 N CYS A 122 5.335 -2.504 5.636 1.00 0.22 N ATOM 1907 CA CYS A 122 5.742 -1.177 6.090 1.00 0.24 C ATOM 1908 C CYS A 122 7.263 -1.059 6.115 1.00 0.27 C ATOM 1909 O CYS A 122 7.954 -1.922 6.658 1.00 0.26 O ATOM 1910 CB CYS A 122 5.173 -0.896 7.480 1.00 0.27 C ATOM 1911 SG CYS A 122 3.367 -0.923 7.557 1.00 0.31 S ATOM 0 H CYS A 122 5.032 -3.131 6.381 1.00 0.22 H new ATOM 0 HA CYS A 122 5.348 -0.440 5.390 1.00 0.24 H new ATOM 0 HB2 CYS A 122 5.567 -1.634 8.178 1.00 0.27 H new ATOM 0 HB3 CYS A 122 5.526 0.079 7.815 1.00 0.27 H new ATOM 0 HG CYS A 122 2.981 -0.677 8.774 1.00 0.31 H new ATOM 1917 N LYS A 123 7.777 0.016 5.525 1.00 0.34 N ATOM 1918 CA LYS A 123 9.217 0.249 5.475 1.00 0.41 C ATOM 1919 C LYS A 123 9.763 0.601 6.855 1.00 0.43 C ATOM 1920 O LYS A 123 10.936 0.361 7.147 1.00 0.48 O ATOM 1921 CB LYS A 123 9.540 1.368 4.483 1.00 0.48 C ATOM 1922 CG LYS A 123 11.030 1.615 4.304 1.00 0.65 C ATOM 1923 CD LYS A 123 11.298 2.639 3.212 1.00 0.67 C ATOM 1924 CE LYS A 123 12.788 2.882 3.029 1.00 0.69 C ATOM 1925 NZ LYS A 123 13.063 3.834 1.919 1.00 1.39 N ATOM 0 H LYS A 123 7.217 0.740 5.074 1.00 0.34 H new ATOM 0 HA LYS A 123 9.696 -0.672 5.142 1.00 0.41 H new ATOM 0 HB2 LYS A 123 9.103 1.121 3.516 1.00 0.48 H new ATOM 0 HB3 LYS A 123 9.066 2.289 4.821 1.00 0.48 H new ATOM 0 HG2 LYS A 123 11.458 1.964 5.244 1.00 0.65 H new ATOM 0 HG3 LYS A 123 11.528 0.678 4.056 1.00 0.65 H new ATOM 0 HD2 LYS A 123 10.867 2.292 2.273 1.00 0.67 H new ATOM 0 HD3 LYS A 123 10.803 3.577 3.462 1.00 0.67 H new ATOM 0 HE2 LYS A 123 13.208 3.273 3.955 1.00 0.69 H new ATOM 0 HE3 LYS A 123 13.288 1.935 2.827 1.00 0.69 H new ATOM 0 HZ1 LYS A 123 14.090 3.921 1.782 1.00 1.39 H new ATOM 0 HZ2 LYS A 123 12.626 3.482 1.043 1.00 1.39 H new ATOM 0 HZ3 LYS A 123 12.665 4.766 2.154 1.00 1.39 H new ATOM 1939 N THR A 124 8.911 1.173 7.698 1.00 0.43 N ATOM 1940 CA THR A 124 9.312 1.552 9.046 1.00 0.49 C ATOM 1941 C THR A 124 9.195 0.371 10.001 1.00 0.44 C ATOM 1942 O THR A 124 9.955 0.258 10.963 1.00 0.50 O ATOM 1943 CB THR A 124 8.463 2.721 9.582 1.00 0.59 C ATOM 1944 OG1 THR A 124 7.072 2.383 9.525 1.00 1.19 O ATOM 1945 CG2 THR A 124 8.718 3.986 8.779 1.00 0.88 C ATOM 0 H THR A 124 7.939 1.384 7.471 1.00 0.43 H new ATOM 0 HA THR A 124 10.353 1.871 8.989 1.00 0.49 H new ATOM 0 HB THR A 124 8.748 2.904 10.618 1.00 0.59 H new ATOM 0 HG1 THR A 124 6.841 1.820 10.293 1.00 1.19 H new ATOM 0 HG21 THR A 124 8.108 4.798 9.175 1.00 0.88 H new ATOM 0 HG22 THR A 124 9.772 4.256 8.850 1.00 0.88 H new ATOM 0 HG23 THR A 124 8.457 3.813 7.735 1.00 0.88 H new ATOM 1953 N ASP A 125 8.236 -0.508 9.728 1.00 0.39 N ATOM 1954 CA ASP A 125 8.015 -1.685 10.558 1.00 0.42 C ATOM 1955 C ASP A 125 8.019 -2.955 9.706 1.00 0.35 C ATOM 1956 O ASP A 125 7.020 -3.278 9.066 1.00 0.36 O ATOM 1957 CB ASP A 125 6.683 -1.566 11.303 1.00 0.52 C ATOM 1958 CG ASP A 125 6.612 -0.324 12.170 1.00 0.64 C ATOM 1959 OD1 ASP A 125 7.114 -0.368 13.313 1.00 0.78 O ATOM 1960 OD2 ASP A 125 6.053 0.691 11.706 1.00 0.65 O ATOM 0 H ASP A 125 7.598 -0.426 8.936 1.00 0.39 H new ATOM 0 HA ASP A 125 8.826 -1.747 11.283 1.00 0.42 H new ATOM 0 HB2 ASP A 125 5.867 -1.548 10.581 1.00 0.52 H new ATOM 0 HB3 ASP A 125 6.539 -2.449 11.926 1.00 0.52 H new ATOM 1965 N PRO A 126 9.145 -3.690 9.674 1.00 0.43 N ATOM 1966 CA PRO A 126 9.251 -4.925 8.892 1.00 0.46 C ATOM 1967 C PRO A 126 8.421 -6.059 9.485 1.00 0.45 C ATOM 1968 O PRO A 126 8.477 -6.319 10.686 1.00 0.56 O ATOM 1969 CB PRO A 126 10.742 -5.262 8.958 1.00 0.62 C ATOM 1970 CG PRO A 126 11.222 -4.627 10.216 1.00 0.89 C ATOM 1971 CD PRO A 126 10.399 -3.380 10.391 1.00 0.60 C ATOM 0 HA PRO A 126 8.875 -4.798 7.877 1.00 0.46 H new ATOM 0 HB2 PRO A 126 10.903 -6.340 8.973 1.00 0.62 H new ATOM 0 HB3 PRO A 126 11.274 -4.872 8.090 1.00 0.62 H new ATOM 0 HG2 PRO A 126 11.097 -5.299 11.065 1.00 0.89 H new ATOM 0 HG3 PRO A 126 12.284 -4.388 10.152 1.00 0.89 H new ATOM 0 HD2 PRO A 126 10.216 -3.164 11.444 1.00 0.60 H new ATOM 0 HD3 PRO A 126 10.898 -2.508 9.969 1.00 0.60 H new ATOM 1979 N GLY A 127 7.651 -6.734 8.633 1.00 0.40 N ATOM 1980 CA GLY A 127 6.828 -7.838 9.093 1.00 0.43 C ATOM 1981 C GLY A 127 5.339 -7.542 9.035 1.00 0.44 C ATOM 1982 O GLY A 127 4.526 -8.462 8.946 1.00 0.65 O ATOM 0 H GLY A 127 7.583 -6.535 7.635 1.00 0.40 H new ATOM 0 HA2 GLY A 127 7.040 -8.718 8.486 1.00 0.43 H new ATOM 0 HA3 GLY A 127 7.103 -8.084 10.119 1.00 0.43 H new ATOM 1986 N VAL A 128 4.974 -6.262 9.085 1.00 0.28 N ATOM 1987 CA VAL A 128 3.568 -5.874 9.038 1.00 0.32 C ATOM 1988 C VAL A 128 3.158 -5.437 7.636 1.00 0.21 C ATOM 1989 O VAL A 128 3.868 -4.678 6.975 1.00 0.16 O ATOM 1990 CB VAL A 128 3.252 -4.745 10.040 1.00 0.42 C ATOM 1991 CG1 VAL A 128 4.153 -3.548 9.815 1.00 0.93 C ATOM 1992 CG2 VAL A 128 1.787 -4.340 9.957 1.00 1.27 C ATOM 0 H VAL A 128 5.628 -5.482 9.157 1.00 0.28 H new ATOM 0 HA VAL A 128 2.993 -6.757 9.317 1.00 0.32 H new ATOM 0 HB VAL A 128 3.443 -5.126 11.043 1.00 0.42 H new ATOM 0 HG11 VAL A 128 3.908 -2.768 10.535 1.00 0.93 H new ATOM 0 HG12 VAL A 128 5.193 -3.847 9.943 1.00 0.93 H new ATOM 0 HG13 VAL A 128 4.007 -3.167 8.804 1.00 0.93 H new ATOM 0 HG21 VAL A 128 1.589 -3.542 10.673 1.00 1.27 H new ATOM 0 HG22 VAL A 128 1.563 -3.987 8.950 1.00 1.27 H new ATOM 0 HG23 VAL A 128 1.158 -5.200 10.188 1.00 1.27 H new ATOM 2002 N PHE A 129 2.000 -5.923 7.192 1.00 0.23 N ATOM 2003 CA PHE A 129 1.486 -5.592 5.870 1.00 0.19 C ATOM 2004 C PHE A 129 0.105 -4.949 5.969 1.00 0.16 C ATOM 2005 O PHE A 129 -0.630 -5.182 6.929 1.00 0.18 O ATOM 2006 CB PHE A 129 1.397 -6.852 5.002 1.00 0.29 C ATOM 2007 CG PHE A 129 2.607 -7.737 5.079 1.00 0.26 C ATOM 2008 CD1 PHE A 129 2.711 -8.710 6.060 1.00 0.49 C ATOM 2009 CD2 PHE A 129 3.646 -7.593 4.173 1.00 0.30 C ATOM 2010 CE1 PHE A 129 3.826 -9.523 6.136 1.00 0.58 C ATOM 2011 CE2 PHE A 129 4.764 -8.402 4.245 1.00 0.38 C ATOM 2012 CZ PHE A 129 4.838 -9.390 5.218 1.00 0.46 C ATOM 0 H PHE A 129 1.401 -6.548 7.732 1.00 0.23 H new ATOM 0 HA PHE A 129 2.175 -4.883 5.411 1.00 0.19 H new ATOM 0 HB2 PHE A 129 0.521 -7.426 5.303 1.00 0.29 H new ATOM 0 HB3 PHE A 129 1.243 -6.555 3.965 1.00 0.29 H new ATOM 0 HD1 PHE A 129 1.911 -8.835 6.774 1.00 0.49 H new ATOM 0 HD2 PHE A 129 3.581 -6.840 3.402 1.00 0.30 H new ATOM 0 HE1 PHE A 129 3.901 -10.264 6.918 1.00 0.58 H new ATOM 0 HE2 PHE A 129 5.577 -8.266 3.547 1.00 0.38 H new ATOM 0 HZ PHE A 129 5.690 -10.053 5.252 1.00 0.46 H new ATOM 2022 N ILE A 130 -0.240 -4.138 4.973 1.00 0.16 N ATOM 2023 CA ILE A 130 -1.539 -3.481 4.942 1.00 0.16 C ATOM 2024 C ILE A 130 -2.633 -4.506 4.676 1.00 0.18 C ATOM 2025 O ILE A 130 -2.415 -5.475 3.948 1.00 0.26 O ATOM 2026 CB ILE A 130 -1.599 -2.386 3.854 1.00 0.19 C ATOM 2027 CG1 ILE A 130 -0.445 -1.394 4.029 1.00 0.21 C ATOM 2028 CG2 ILE A 130 -2.940 -1.664 3.900 1.00 0.25 C ATOM 2029 CD1 ILE A 130 -0.387 -0.332 2.949 1.00 0.25 C ATOM 0 H ILE A 130 0.362 -3.921 4.179 1.00 0.16 H new ATOM 0 HA ILE A 130 -1.692 -3.010 5.913 1.00 0.16 H new ATOM 0 HB ILE A 130 -1.498 -2.861 2.878 1.00 0.19 H new ATOM 0 HG12 ILE A 130 -0.539 -0.908 5.000 1.00 0.21 H new ATOM 0 HG13 ILE A 130 0.497 -1.943 4.038 1.00 0.21 H new ATOM 0 HG21 ILE A 130 -2.966 -0.896 3.127 1.00 0.25 H new ATOM 0 HG22 ILE A 130 -3.744 -2.379 3.728 1.00 0.25 H new ATOM 0 HG23 ILE A 130 -3.070 -1.200 4.878 1.00 0.25 H new ATOM 0 HD11 ILE A 130 0.455 0.334 3.139 1.00 0.25 H new ATOM 0 HD12 ILE A 130 -0.261 -0.808 1.977 1.00 0.25 H new ATOM 0 HD13 ILE A 130 -1.313 0.243 2.954 1.00 0.25 H new ATOM 2041 N GLY A 131 -3.804 -4.302 5.267 1.00 0.19 N ATOM 2042 CA GLY A 131 -4.891 -5.239 5.064 1.00 0.20 C ATOM 2043 C GLY A 131 -6.177 -4.810 5.736 1.00 0.16 C ATOM 2044 O GLY A 131 -6.162 -4.042 6.697 1.00 0.19 O ATOM 0 H GLY A 131 -4.019 -3.513 5.877 1.00 0.19 H new ATOM 0 HA2 GLY A 131 -5.068 -5.355 3.995 1.00 0.20 H new ATOM 0 HA3 GLY A 131 -4.597 -6.216 5.446 1.00 0.20 H new ATOM 2048 N VAL A 132 -7.291 -5.315 5.226 1.00 0.18 N ATOM 2049 CA VAL A 132 -8.601 -4.998 5.772 1.00 0.16 C ATOM 2050 C VAL A 132 -8.815 -5.693 7.112 1.00 0.17 C ATOM 2051 O VAL A 132 -8.898 -6.920 7.179 1.00 0.22 O ATOM 2052 CB VAL A 132 -9.718 -5.415 4.800 1.00 0.17 C ATOM 2053 CG1 VAL A 132 -11.086 -5.055 5.357 1.00 0.18 C ATOM 2054 CG2 VAL A 132 -9.502 -4.767 3.443 1.00 0.22 C ATOM 0 H VAL A 132 -7.312 -5.951 4.429 1.00 0.18 H new ATOM 0 HA VAL A 132 -8.640 -3.919 5.919 1.00 0.16 H new ATOM 0 HB VAL A 132 -9.681 -6.498 4.678 1.00 0.17 H new ATOM 0 HG11 VAL A 132 -11.858 -5.360 4.651 1.00 0.18 H new ATOM 0 HG12 VAL A 132 -11.239 -5.568 6.306 1.00 0.18 H new ATOM 0 HG13 VAL A 132 -11.143 -3.978 5.514 1.00 0.18 H new ATOM 0 HG21 VAL A 132 -10.299 -5.070 2.764 1.00 0.22 H new ATOM 0 HG22 VAL A 132 -9.511 -3.683 3.552 1.00 0.22 H new ATOM 0 HG23 VAL A 132 -8.541 -5.083 3.038 1.00 0.22 H new ATOM 2064 N LYS A 133 -8.904 -4.900 8.175 1.00 0.17 N ATOM 2065 CA LYS A 133 -9.107 -5.442 9.513 1.00 0.21 C ATOM 2066 C LYS A 133 -10.554 -5.894 9.698 1.00 0.22 C ATOM 2067 O LYS A 133 -10.898 -7.036 9.393 1.00 0.24 O ATOM 2068 CB LYS A 133 -8.735 -4.402 10.574 1.00 0.29 C ATOM 2069 CG LYS A 133 -8.694 -4.961 11.986 1.00 0.35 C ATOM 2070 CD LYS A 133 -7.514 -5.898 12.179 1.00 1.17 C ATOM 2071 CE LYS A 133 -7.519 -6.523 13.561 1.00 1.20 C ATOM 2072 NZ LYS A 133 -8.820 -7.175 13.875 1.00 2.26 N ATOM 0 H LYS A 133 -8.839 -3.883 8.136 1.00 0.17 H new ATOM 0 HA LYS A 133 -8.458 -6.309 9.632 1.00 0.21 H new ATOM 0 HB2 LYS A 133 -7.760 -3.980 10.331 1.00 0.29 H new ATOM 0 HB3 LYS A 133 -9.454 -3.584 10.537 1.00 0.29 H new ATOM 0 HG2 LYS A 133 -8.630 -4.141 12.701 1.00 0.35 H new ATOM 0 HG3 LYS A 133 -9.621 -5.494 12.195 1.00 0.35 H new ATOM 0 HD2 LYS A 133 -7.545 -6.683 11.424 1.00 1.17 H new ATOM 0 HD3 LYS A 133 -6.584 -5.349 12.031 1.00 1.17 H new ATOM 0 HE2 LYS A 133 -6.719 -7.260 13.628 1.00 1.20 H new ATOM 0 HE3 LYS A 133 -7.309 -5.756 14.306 1.00 1.20 H new ATOM 0 HZ1 LYS A 133 -8.695 -7.836 14.668 1.00 2.26 H new ATOM 0 HZ2 LYS A 133 -9.518 -6.449 14.136 1.00 2.26 H new ATOM 0 HZ3 LYS A 133 -9.158 -7.696 13.040 1.00 2.26 H new ATOM 2086 N ASP A 134 -11.396 -4.993 10.196 1.00 0.26 N ATOM 2087 CA ASP A 134 -12.804 -5.305 10.410 1.00 0.31 C ATOM 2088 C ASP A 134 -13.624 -4.996 9.161 1.00 0.28 C ATOM 2089 O ASP A 134 -14.443 -5.805 8.727 1.00 0.30 O ATOM 2090 CB ASP A 134 -13.350 -4.517 11.602 1.00 0.39 C ATOM 2091 CG ASP A 134 -14.803 -4.844 11.890 1.00 1.40 C ATOM 2092 OD1 ASP A 134 -15.056 -5.808 12.643 1.00 1.76 O ATOM 2093 OD2 ASP A 134 -15.686 -4.136 11.362 1.00 2.23 O ATOM 0 H ASP A 134 -11.128 -4.044 10.458 1.00 0.26 H new ATOM 0 HA ASP A 134 -12.886 -6.371 10.623 1.00 0.31 H new ATOM 0 HB2 ASP A 134 -12.749 -4.735 12.485 1.00 0.39 H new ATOM 0 HB3 ASP A 134 -13.252 -3.449 11.405 1.00 0.39 H new ATOM 2098 N ASN A 135 -13.394 -3.818 8.590 1.00 0.27 N ATOM 2099 CA ASN A 135 -14.106 -3.391 7.390 1.00 0.27 C ATOM 2100 C ASN A 135 -13.386 -2.226 6.720 1.00 0.23 C ATOM 2101 O ASN A 135 -13.920 -1.593 5.810 1.00 0.26 O ATOM 2102 CB ASN A 135 -15.538 -2.982 7.741 1.00 0.35 C ATOM 2103 CG ASN A 135 -15.590 -1.824 8.718 1.00 1.25 C ATOM 2104 OD1 ASN A 135 -14.694 -1.651 9.544 1.00 2.08 O ATOM 2105 ND2 ASN A 135 -16.646 -1.022 8.631 1.00 1.98 N ATOM 0 H ASN A 135 -12.718 -3.140 8.940 1.00 0.27 H new ATOM 0 HA ASN A 135 -14.134 -4.230 6.695 1.00 0.27 H new ATOM 0 HB2 ASN A 135 -16.067 -2.707 6.829 1.00 0.35 H new ATOM 0 HB3 ASN A 135 -16.062 -3.837 8.168 1.00 0.35 H new ATOM 0 HD21 ASN A 135 -16.736 -0.227 9.264 1.00 1.98 H new ATOM 0 HD22 ASN A 135 -17.366 -1.201 7.931 1.00 1.98 H new ATOM 2112 N HIS A 136 -12.168 -1.952 7.177 1.00 0.19 N ATOM 2113 CA HIS A 136 -11.372 -0.860 6.626 1.00 0.21 C ATOM 2114 C HIS A 136 -9.896 -1.238 6.566 1.00 0.19 C ATOM 2115 O HIS A 136 -9.497 -2.302 7.035 1.00 0.17 O ATOM 2116 CB HIS A 136 -11.556 0.406 7.463 1.00 0.28 C ATOM 2117 CG HIS A 136 -11.179 0.243 8.902 1.00 0.35 C ATOM 2118 ND1 HIS A 136 -12.087 -0.086 9.887 1.00 1.34 N ATOM 2119 CD2 HIS A 136 -9.982 0.373 9.525 1.00 0.89 C ATOM 2120 CE1 HIS A 136 -11.468 -0.148 11.053 1.00 1.15 C ATOM 2121 NE2 HIS A 136 -10.190 0.124 10.860 1.00 0.49 N ATOM 0 H HIS A 136 -11.711 -2.471 7.927 1.00 0.19 H new ATOM 0 HA HIS A 136 -11.718 -0.667 5.611 1.00 0.21 H new ATOM 0 HB2 HIS A 136 -10.957 1.207 7.029 1.00 0.28 H new ATOM 0 HB3 HIS A 136 -12.598 0.720 7.404 1.00 0.28 H new ATOM 0 HD1 HIS A 136 -13.082 -0.255 9.738 1.00 1.34 H new ATOM 0 HD2 HIS A 136 -9.041 0.625 9.059 1.00 0.89 H new ATOM 0 HE1 HIS A 136 -11.928 -0.381 12.002 1.00 1.15 H new ATOM 2130 N LEU A 137 -9.093 -0.349 5.990 1.00 0.21 N ATOM 2131 CA LEU A 137 -7.660 -0.585 5.859 1.00 0.22 C ATOM 2132 C LEU A 137 -6.940 -0.358 7.183 1.00 0.25 C ATOM 2133 O LEU A 137 -7.161 0.644 7.863 1.00 0.38 O ATOM 2134 CB LEU A 137 -7.065 0.327 4.783 1.00 0.27 C ATOM 2135 CG LEU A 137 -7.461 -0.018 3.346 1.00 0.27 C ATOM 2136 CD1 LEU A 137 -6.898 1.010 2.378 1.00 0.32 C ATOM 2137 CD2 LEU A 137 -6.978 -1.414 2.982 1.00 0.27 C ATOM 0 H LEU A 137 -9.411 0.541 5.607 1.00 0.21 H new ATOM 0 HA LEU A 137 -7.520 -1.625 5.566 1.00 0.22 H new ATOM 0 HB2 LEU A 137 -7.369 1.353 4.990 1.00 0.27 H new ATOM 0 HB3 LEU A 137 -5.978 0.294 4.862 1.00 0.27 H new ATOM 0 HG LEU A 137 -8.548 0.000 3.273 1.00 0.27 H new ATOM 0 HD11 LEU A 137 -7.189 0.749 1.360 1.00 0.32 H new ATOM 0 HD12 LEU A 137 -7.290 1.996 2.626 1.00 0.32 H new ATOM 0 HD13 LEU A 137 -5.811 1.022 2.452 1.00 0.32 H new ATOM 0 HD21 LEU A 137 -7.268 -1.644 1.957 1.00 0.27 H new ATOM 0 HD22 LEU A 137 -5.893 -1.458 3.071 1.00 0.27 H new ATOM 0 HD23 LEU A 137 -7.427 -2.142 3.658 1.00 0.27 H new ATOM 2149 N ALA A 138 -6.075 -1.302 7.538 1.00 0.20 N ATOM 2150 CA ALA A 138 -5.312 -1.220 8.776 1.00 0.21 C ATOM 2151 C ALA A 138 -3.998 -1.981 8.649 1.00 0.22 C ATOM 2152 O ALA A 138 -3.833 -2.812 7.754 1.00 0.30 O ATOM 2153 CB ALA A 138 -6.128 -1.763 9.939 1.00 0.20 C ATOM 0 H ALA A 138 -5.885 -2.136 6.982 1.00 0.20 H new ATOM 0 HA ALA A 138 -5.085 -0.172 8.970 1.00 0.21 H new ATOM 0 HB1 ALA A 138 -5.544 -1.695 10.857 1.00 0.20 H new ATOM 0 HB2 ALA A 138 -7.042 -1.179 10.046 1.00 0.20 H new ATOM 0 HB3 ALA A 138 -6.384 -2.805 9.749 1.00 0.20 H new ATOM 2159 N LEU A 139 -3.063 -1.689 9.549 1.00 0.19 N ATOM 2160 CA LEU A 139 -1.763 -2.348 9.543 1.00 0.21 C ATOM 2161 C LEU A 139 -1.849 -3.705 10.231 1.00 0.22 C ATOM 2162 O LEU A 139 -1.883 -3.788 11.460 1.00 0.28 O ATOM 2163 CB LEU A 139 -0.720 -1.471 10.238 1.00 0.23 C ATOM 2164 CG LEU A 139 -0.557 -0.070 9.650 1.00 0.30 C ATOM 2165 CD1 LEU A 139 0.397 0.756 10.498 1.00 0.62 C ATOM 2166 CD2 LEU A 139 -0.064 -0.149 8.213 1.00 0.82 C ATOM 0 H LEU A 139 -3.183 -1.000 10.291 1.00 0.19 H new ATOM 0 HA LEU A 139 -1.460 -2.502 8.507 1.00 0.21 H new ATOM 0 HB2 LEU A 139 -0.989 -1.378 11.290 1.00 0.23 H new ATOM 0 HB3 LEU A 139 0.244 -1.979 10.199 1.00 0.23 H new ATOM 0 HG LEU A 139 -1.531 0.420 9.652 1.00 0.30 H new ATOM 0 HD11 LEU A 139 0.501 1.751 10.064 1.00 0.62 H new ATOM 0 HD12 LEU A 139 0.003 0.841 11.511 1.00 0.62 H new ATOM 0 HD13 LEU A 139 1.372 0.269 10.528 1.00 0.62 H new ATOM 0 HD21 LEU A 139 0.046 0.858 7.810 1.00 0.82 H new ATOM 0 HD22 LEU A 139 0.899 -0.658 8.186 1.00 0.82 H new ATOM 0 HD23 LEU A 139 -0.784 -0.704 7.611 1.00 0.82 H new ATOM 2178 N ILE A 140 -1.883 -4.767 9.434 1.00 0.18 N ATOM 2179 CA ILE A 140 -1.975 -6.120 9.966 1.00 0.19 C ATOM 2180 C ILE A 140 -0.618 -6.819 9.920 1.00 0.25 C ATOM 2181 O ILE A 140 -0.118 -7.159 8.847 1.00 0.31 O ATOM 2182 CB ILE A 140 -3.008 -6.956 9.185 1.00 0.19 C ATOM 2183 CG1 ILE A 140 -4.296 -6.151 8.987 1.00 0.33 C ATOM 2184 CG2 ILE A 140 -3.298 -8.258 9.917 1.00 0.21 C ATOM 2185 CD1 ILE A 140 -5.345 -6.872 8.167 1.00 0.44 C ATOM 0 H ILE A 140 -1.848 -4.716 8.416 1.00 0.18 H new ATOM 0 HA ILE A 140 -2.299 -6.038 11.004 1.00 0.19 H new ATOM 0 HB ILE A 140 -2.596 -7.198 8.205 1.00 0.19 H new ATOM 0 HG12 ILE A 140 -4.715 -5.907 9.963 1.00 0.33 H new ATOM 0 HG13 ILE A 140 -4.053 -5.207 8.500 1.00 0.33 H new ATOM 0 HG21 ILE A 140 -4.029 -8.837 9.353 1.00 0.21 H new ATOM 0 HG22 ILE A 140 -2.377 -8.833 10.015 1.00 0.21 H new ATOM 0 HG23 ILE A 140 -3.696 -8.038 10.908 1.00 0.21 H new ATOM 0 HD11 ILE A 140 -6.228 -6.240 8.069 1.00 0.44 H new ATOM 0 HD12 ILE A 140 -4.945 -7.092 7.177 1.00 0.44 H new ATOM 0 HD13 ILE A 140 -5.618 -7.803 8.663 1.00 0.44 H new ATOM 2197 N LYS A 141 -0.029 -7.027 11.092 1.00 0.35 N ATOM 2198 CA LYS A 141 1.271 -7.681 11.192 1.00 0.44 C ATOM 2199 C LYS A 141 1.116 -9.167 11.498 1.00 0.32 C ATOM 2200 O LYS A 141 0.801 -9.553 12.624 1.00 0.50 O ATOM 2201 CB LYS A 141 2.129 -7.005 12.267 1.00 0.70 C ATOM 2202 CG LYS A 141 3.475 -7.677 12.490 1.00 0.79 C ATOM 2203 CD LYS A 141 4.341 -6.887 13.460 1.00 0.98 C ATOM 2204 CE LYS A 141 5.702 -7.539 13.651 1.00 1.45 C ATOM 2205 NZ LYS A 141 6.555 -6.775 14.602 1.00 2.04 N ATOM 0 H LYS A 141 -0.432 -6.752 11.988 1.00 0.35 H new ATOM 0 HA LYS A 141 1.771 -7.583 10.229 1.00 0.44 H new ATOM 0 HB2 LYS A 141 2.295 -5.965 11.986 1.00 0.70 H new ATOM 0 HB3 LYS A 141 1.577 -6.997 13.207 1.00 0.70 H new ATOM 0 HG2 LYS A 141 3.320 -8.684 12.877 1.00 0.79 H new ATOM 0 HG3 LYS A 141 3.994 -7.778 11.537 1.00 0.79 H new ATOM 0 HD2 LYS A 141 4.472 -5.871 13.088 1.00 0.98 H new ATOM 0 HD3 LYS A 141 3.835 -6.811 14.422 1.00 0.98 H new ATOM 0 HE2 LYS A 141 5.569 -8.556 14.019 1.00 1.45 H new ATOM 0 HE3 LYS A 141 6.208 -7.612 12.688 1.00 1.45 H new ATOM 0 HZ1 LYS A 141 7.473 -7.252 14.705 1.00 2.04 H new ATOM 0 HZ2 LYS A 141 6.704 -5.812 14.238 1.00 2.04 H new ATOM 0 HZ3 LYS A 141 6.085 -6.726 15.528 1.00 2.04 H new ATOM 2219 N VAL A 142 1.340 -9.996 10.482 1.00 0.35 N ATOM 2220 CA VAL A 142 1.231 -11.441 10.630 1.00 0.41 C ATOM 2221 C VAL A 142 2.609 -12.081 10.776 1.00 0.49 C ATOM 2222 O VAL A 142 3.624 -11.466 10.451 1.00 0.70 O ATOM 2223 CB VAL A 142 0.508 -12.072 9.425 1.00 0.56 C ATOM 2224 CG1 VAL A 142 -0.944 -11.619 9.377 1.00 0.92 C ATOM 2225 CG2 VAL A 142 1.226 -11.723 8.132 1.00 0.81 C ATOM 0 H VAL A 142 1.599 -9.688 9.545 1.00 0.35 H new ATOM 0 HA VAL A 142 0.649 -11.628 11.533 1.00 0.41 H new ATOM 0 HB VAL A 142 0.522 -13.156 9.541 1.00 0.56 H new ATOM 0 HG11 VAL A 142 -1.439 -12.075 8.519 1.00 0.92 H new ATOM 0 HG12 VAL A 142 -1.451 -11.924 10.293 1.00 0.92 H new ATOM 0 HG13 VAL A 142 -0.984 -10.534 9.284 1.00 0.92 H new ATOM 0 HG21 VAL A 142 0.702 -12.177 7.291 1.00 0.81 H new ATOM 0 HG22 VAL A 142 1.244 -10.640 8.007 1.00 0.81 H new ATOM 0 HG23 VAL A 142 2.248 -12.101 8.170 1.00 0.81 H new ATOM 2235 N ASP A 143 2.636 -13.315 11.266 1.00 0.49 N ATOM 2236 CA ASP A 143 3.892 -14.034 11.456 1.00 0.57 C ATOM 2237 C ASP A 143 3.883 -15.368 10.717 1.00 0.84 C ATOM 2238 O ASP A 143 2.894 -15.729 10.076 1.00 1.02 O ATOM 2239 CB ASP A 143 4.153 -14.265 12.945 1.00 0.73 C ATOM 2240 CG ASP A 143 4.354 -12.968 13.703 1.00 1.51 C ATOM 2241 OD1 ASP A 143 3.344 -12.343 14.087 1.00 2.39 O ATOM 2242 OD2 ASP A 143 5.522 -12.579 13.918 1.00 1.78 O ATOM 0 H ASP A 143 1.804 -13.839 11.539 1.00 0.49 H new ATOM 0 HA ASP A 143 4.693 -13.420 11.043 1.00 0.57 H new ATOM 0 HB2 ASP A 143 3.314 -14.810 13.378 1.00 0.73 H new ATOM 0 HB3 ASP A 143 5.036 -14.893 13.063 1.00 0.73 H new ATOM 2247 N SER A 144 4.993 -16.093 10.809 1.00 1.03 N ATOM 2248 CA SER A 144 5.127 -17.390 10.151 1.00 1.43 C ATOM 2249 C SER A 144 3.986 -18.324 10.539 1.00 1.30 C ATOM 2250 O SER A 144 3.416 -18.204 11.625 1.00 1.83 O ATOM 2251 CB SER A 144 6.466 -18.030 10.514 1.00 2.21 C ATOM 2252 OG SER A 144 6.568 -18.240 11.912 1.00 3.06 O ATOM 0 H SER A 144 5.817 -15.803 11.335 1.00 1.03 H new ATOM 0 HA SER A 144 5.086 -17.226 9.074 1.00 1.43 H new ATOM 0 HB2 SER A 144 6.572 -18.981 9.991 1.00 2.21 H new ATOM 0 HB3 SER A 144 7.282 -17.389 10.179 1.00 2.21 H new ATOM 0 HG SER A 144 7.433 -18.652 12.119 1.00 3.06 H new ATOM 2258 N SER A 145 3.655 -19.246 9.635 1.00 1.31 N ATOM 2259 CA SER A 145 2.583 -20.218 9.860 1.00 1.34 C ATOM 2260 C SER A 145 1.209 -19.549 9.874 1.00 1.30 C ATOM 2261 O SER A 145 0.183 -20.225 9.785 1.00 1.61 O ATOM 2262 CB SER A 145 2.809 -20.976 11.172 1.00 1.94 C ATOM 2263 OG SER A 145 4.057 -21.648 11.165 1.00 2.25 O ATOM 0 H SER A 145 4.119 -19.341 8.731 1.00 1.31 H new ATOM 0 HA SER A 145 2.606 -20.925 9.031 1.00 1.34 H new ATOM 0 HB2 SER A 145 2.773 -20.279 12.009 1.00 1.94 H new ATOM 0 HB3 SER A 145 2.005 -21.697 11.322 1.00 1.94 H new ATOM 0 HG SER A 145 4.178 -22.123 12.014 1.00 2.25 H new ATOM 2269 N GLU A 146 1.191 -18.224 9.987 1.00 1.26 N ATOM 2270 CA GLU A 146 -0.058 -17.474 10.009 1.00 1.51 C ATOM 2271 C GLU A 146 -0.174 -16.589 8.774 1.00 1.43 C ATOM 2272 O GLU A 146 -1.259 -16.119 8.431 1.00 1.95 O ATOM 2273 CB GLU A 146 -0.146 -16.623 11.277 1.00 1.75 C ATOM 2274 CG GLU A 146 0.038 -17.420 12.558 1.00 1.72 C ATOM 2275 CD GLU A 146 -0.094 -16.565 13.802 1.00 2.48 C ATOM 2276 OE1 GLU A 146 0.918 -15.964 14.222 1.00 3.04 O ATOM 2277 OE2 GLU A 146 -1.210 -16.494 14.358 1.00 3.07 O ATOM 0 H GLU A 146 2.029 -17.648 10.065 1.00 1.26 H new ATOM 0 HA GLU A 146 -0.884 -18.185 10.005 1.00 1.51 H new ATOM 0 HB2 GLU A 146 0.612 -15.841 11.233 1.00 1.75 H new ATOM 0 HB3 GLU A 146 -1.116 -16.126 11.304 1.00 1.75 H new ATOM 0 HG2 GLU A 146 -0.701 -18.221 12.592 1.00 1.72 H new ATOM 0 HG3 GLU A 146 1.020 -17.893 12.549 1.00 1.72 H new ATOM 2284 N ASN A 147 0.957 -16.365 8.109 1.00 1.13 N ATOM 2285 CA ASN A 147 0.993 -15.539 6.909 1.00 1.51 C ATOM 2286 C ASN A 147 0.780 -16.388 5.659 1.00 1.30 C ATOM 2287 O ASN A 147 1.332 -16.097 4.597 1.00 1.68 O ATOM 2288 CB ASN A 147 2.329 -14.795 6.819 1.00 2.13 C ATOM 2289 CG ASN A 147 3.523 -15.728 6.906 1.00 2.99 C ATOM 2290 OD1 ASN A 147 3.454 -16.886 6.496 1.00 3.45 O ATOM 2291 ND2 ASN A 147 4.628 -15.224 7.444 1.00 3.59 N ATOM 0 H ASN A 147 1.862 -16.746 8.384 1.00 1.13 H new ATOM 0 HA ASN A 147 0.184 -14.811 6.971 1.00 1.51 H new ATOM 0 HB2 ASN A 147 2.371 -14.244 5.880 1.00 2.13 H new ATOM 0 HB3 ASN A 147 2.387 -14.061 7.623 1.00 2.13 H new ATOM 0 HD21 ASN A 147 5.463 -15.803 7.530 1.00 3.59 H new ATOM 0 HD22 ASN A 147 4.641 -14.258 7.771 1.00 3.59 H new ATOM 2298 N LEU A 148 -0.025 -17.438 5.791 1.00 0.97 N ATOM 2299 CA LEU A 148 -0.307 -18.331 4.671 1.00 1.05 C ATOM 2300 C LEU A 148 -1.807 -18.410 4.399 1.00 0.99 C ATOM 2301 O LEU A 148 -2.228 -18.660 3.270 1.00 1.29 O ATOM 2302 CB LEU A 148 0.244 -19.731 4.952 1.00 1.08 C ATOM 2303 CG LEU A 148 1.709 -19.781 5.397 1.00 1.18 C ATOM 2304 CD1 LEU A 148 2.104 -21.202 5.769 1.00 1.72 C ATOM 2305 CD2 LEU A 148 2.621 -19.246 4.303 1.00 1.74 C ATOM 0 H LEU A 148 -0.493 -17.691 6.661 1.00 0.97 H new ATOM 0 HA LEU A 148 0.184 -17.925 3.787 1.00 1.05 H new ATOM 0 HB2 LEU A 148 -0.369 -20.197 5.724 1.00 1.08 H new ATOM 0 HB3 LEU A 148 0.134 -20.334 4.051 1.00 1.08 H new ATOM 0 HG LEU A 148 1.821 -19.148 6.277 1.00 1.18 H new ATOM 0 HD11 LEU A 148 3.148 -21.219 6.083 1.00 1.72 H new ATOM 0 HD12 LEU A 148 1.474 -21.553 6.586 1.00 1.72 H new ATOM 0 HD13 LEU A 148 1.974 -21.854 4.905 1.00 1.72 H new ATOM 0 HD21 LEU A 148 3.657 -19.290 4.639 1.00 1.74 H new ATOM 0 HD22 LEU A 148 2.505 -19.852 3.404 1.00 1.74 H new ATOM 0 HD23 LEU A 148 2.355 -18.212 4.081 1.00 1.74 H new ATOM 2317 N CYS A 149 -2.608 -18.195 5.440 1.00 0.81 N ATOM 2318 CA CYS A 149 -4.060 -18.248 5.310 1.00 0.79 C ATOM 2319 C CYS A 149 -4.706 -16.970 5.838 1.00 0.79 C ATOM 2320 O CYS A 149 -5.476 -16.999 6.800 1.00 1.26 O ATOM 2321 CB CYS A 149 -4.613 -19.466 6.057 1.00 0.77 C ATOM 2322 SG CYS A 149 -6.400 -19.688 5.890 1.00 1.73 S ATOM 0 H CYS A 149 -2.276 -17.983 6.381 1.00 0.81 H new ATOM 0 HA CYS A 149 -4.302 -18.338 4.251 1.00 0.79 H new ATOM 0 HB2 CYS A 149 -4.111 -20.362 5.691 1.00 0.77 H new ATOM 0 HB3 CYS A 149 -4.367 -19.372 7.115 1.00 0.77 H new ATOM 0 HG CYS A 149 -7.007 -18.591 6.233 1.00 1.73 H new ATOM 2328 N THR A 150 -4.385 -15.846 5.203 1.00 0.52 N ATOM 2329 CA THR A 150 -4.934 -14.553 5.597 1.00 0.47 C ATOM 2330 C THR A 150 -5.194 -13.674 4.379 1.00 0.37 C ATOM 2331 O THR A 150 -4.332 -12.898 3.964 1.00 0.35 O ATOM 2332 CB THR A 150 -3.993 -13.807 6.564 1.00 0.52 C ATOM 2333 OG1 THR A 150 -2.658 -13.804 6.046 1.00 0.83 O ATOM 2334 CG2 THR A 150 -4.008 -14.451 7.943 1.00 1.06 C ATOM 0 H THR A 150 -3.745 -15.805 4.410 1.00 0.52 H new ATOM 0 HA THR A 150 -5.876 -14.754 6.107 1.00 0.47 H new ATOM 0 HB THR A 150 -4.347 -12.780 6.658 1.00 0.52 H new ATOM 0 HG1 THR A 150 -2.680 -13.603 5.087 1.00 0.83 H new ATOM 0 HG21 THR A 150 -3.336 -13.906 8.606 1.00 1.06 H new ATOM 0 HG22 THR A 150 -5.020 -14.422 8.347 1.00 1.06 H new ATOM 0 HG23 THR A 150 -3.679 -15.487 7.864 1.00 1.06 H new ATOM 2342 N GLU A 151 -6.388 -13.800 3.808 1.00 0.38 N ATOM 2343 CA GLU A 151 -6.764 -13.016 2.636 1.00 0.34 C ATOM 2344 C GLU A 151 -6.823 -11.528 2.970 1.00 0.28 C ATOM 2345 O GLU A 151 -6.801 -10.680 2.076 1.00 0.28 O ATOM 2346 CB GLU A 151 -8.117 -13.481 2.091 1.00 0.46 C ATOM 2347 CG GLU A 151 -9.265 -13.332 3.079 1.00 1.22 C ATOM 2348 CD GLU A 151 -9.242 -14.385 4.169 1.00 1.34 C ATOM 2349 OE1 GLU A 151 -9.681 -15.525 3.904 1.00 1.95 O ATOM 2350 OE2 GLU A 151 -8.785 -14.072 5.288 1.00 1.46 O ATOM 0 H GLU A 151 -7.112 -14.438 4.138 1.00 0.38 H new ATOM 0 HA GLU A 151 -6.002 -13.170 1.872 1.00 0.34 H new ATOM 0 HB2 GLU A 151 -8.350 -12.912 1.191 1.00 0.46 H new ATOM 0 HB3 GLU A 151 -8.038 -14.527 1.796 1.00 0.46 H new ATOM 0 HG2 GLU A 151 -9.220 -12.343 3.535 1.00 1.22 H new ATOM 0 HG3 GLU A 151 -10.211 -13.393 2.541 1.00 1.22 H new ATOM 2357 N ASN A 152 -6.899 -11.219 4.260 1.00 0.27 N ATOM 2358 CA ASN A 152 -6.970 -9.836 4.719 1.00 0.28 C ATOM 2359 C ASN A 152 -5.782 -9.017 4.218 1.00 0.29 C ATOM 2360 O ASN A 152 -5.955 -7.907 3.714 1.00 0.32 O ATOM 2361 CB ASN A 152 -7.026 -9.793 6.247 1.00 0.37 C ATOM 2362 CG ASN A 152 -8.304 -10.397 6.797 1.00 0.53 C ATOM 2363 OD1 ASN A 152 -8.885 -11.303 6.196 1.00 1.30 O ATOM 2364 ND2 ASN A 152 -8.751 -9.897 7.941 1.00 1.29 N ATOM 0 H ASN A 152 -6.913 -11.911 5.009 1.00 0.27 H new ATOM 0 HA ASN A 152 -7.878 -9.395 4.309 1.00 0.28 H new ATOM 0 HB2 ASN A 152 -6.169 -10.330 6.654 1.00 0.37 H new ATOM 0 HB3 ASN A 152 -6.943 -8.759 6.582 1.00 0.37 H new ATOM 0 HD21 ASN A 152 -9.608 -10.262 8.357 1.00 1.29 H new ATOM 0 HD22 ASN A 152 -8.238 -9.147 8.405 1.00 1.29 H new ATOM 2371 N ILE A 153 -4.579 -9.566 4.358 1.00 0.31 N ATOM 2372 CA ILE A 153 -3.370 -8.874 3.923 1.00 0.37 C ATOM 2373 C ILE A 153 -3.174 -8.987 2.413 1.00 0.38 C ATOM 2374 O ILE A 153 -2.432 -8.207 1.816 1.00 0.71 O ATOM 2375 CB ILE A 153 -2.118 -9.421 4.635 1.00 0.42 C ATOM 2376 CG1 ILE A 153 -1.922 -10.904 4.309 1.00 0.40 C ATOM 2377 CG2 ILE A 153 -2.234 -9.213 6.139 1.00 0.48 C ATOM 2378 CD1 ILE A 153 -0.611 -11.473 4.811 1.00 0.48 C ATOM 0 H ILE A 153 -4.415 -10.485 4.768 1.00 0.31 H new ATOM 0 HA ILE A 153 -3.501 -7.825 4.189 1.00 0.37 H new ATOM 0 HB ILE A 153 -1.246 -8.874 4.277 1.00 0.42 H new ATOM 0 HG12 ILE A 153 -2.744 -11.473 4.743 1.00 0.40 H new ATOM 0 HG13 ILE A 153 -1.976 -11.039 3.229 1.00 0.40 H new ATOM 0 HG21 ILE A 153 -1.343 -9.604 6.630 1.00 0.48 H new ATOM 0 HG22 ILE A 153 -2.329 -8.148 6.353 1.00 0.48 H new ATOM 0 HG23 ILE A 153 -3.114 -9.738 6.512 1.00 0.48 H new ATOM 0 HD11 ILE A 153 -0.545 -12.527 4.542 1.00 0.48 H new ATOM 0 HD12 ILE A 153 0.219 -10.930 4.358 1.00 0.48 H new ATOM 0 HD13 ILE A 153 -0.562 -11.371 5.895 1.00 0.48 H new ATOM 2390 N LEU A 154 -3.843 -9.961 1.804 1.00 0.24 N ATOM 2391 CA LEU A 154 -3.739 -10.175 0.365 1.00 0.22 C ATOM 2392 C LEU A 154 -4.553 -9.136 -0.401 1.00 0.20 C ATOM 2393 O LEU A 154 -5.726 -8.912 -0.104 1.00 0.28 O ATOM 2394 CB LEU A 154 -4.219 -11.583 0.001 1.00 0.23 C ATOM 2395 CG LEU A 154 -3.524 -12.725 0.749 1.00 0.28 C ATOM 2396 CD1 LEU A 154 -4.082 -14.068 0.306 1.00 0.30 C ATOM 2397 CD2 LEU A 154 -2.018 -12.677 0.526 1.00 0.35 C ATOM 0 H LEU A 154 -4.462 -10.614 2.284 1.00 0.24 H new ATOM 0 HA LEU A 154 -2.691 -10.070 0.083 1.00 0.22 H new ATOM 0 HB2 LEU A 154 -5.290 -11.645 0.192 1.00 0.23 H new ATOM 0 HB3 LEU A 154 -4.077 -11.732 -1.069 1.00 0.23 H new ATOM 0 HG LEU A 154 -3.717 -12.603 1.815 1.00 0.28 H new ATOM 0 HD11 LEU A 154 -3.577 -14.868 0.847 1.00 0.30 H new ATOM 0 HD12 LEU A 154 -5.151 -14.105 0.517 1.00 0.30 H new ATOM 0 HD13 LEU A 154 -3.919 -14.195 -0.764 1.00 0.30 H new ATOM 0 HD21 LEU A 154 -1.544 -13.497 1.066 1.00 0.35 H new ATOM 0 HD22 LEU A 154 -1.805 -12.772 -0.539 1.00 0.35 H new ATOM 0 HD23 LEU A 154 -1.626 -11.728 0.891 1.00 0.35 H new ATOM 2409 N PHE A 155 -3.923 -8.507 -1.390 1.00 0.17 N ATOM 2410 CA PHE A 155 -4.592 -7.489 -2.195 1.00 0.18 C ATOM 2411 C PHE A 155 -4.493 -7.797 -3.683 1.00 0.17 C ATOM 2412 O PHE A 155 -3.605 -8.530 -4.123 1.00 0.20 O ATOM 2413 CB PHE A 155 -3.993 -6.109 -1.920 1.00 0.22 C ATOM 2414 CG PHE A 155 -4.527 -5.456 -0.680 1.00 0.24 C ATOM 2415 CD1 PHE A 155 -5.863 -5.095 -0.594 1.00 0.37 C ATOM 2416 CD2 PHE A 155 -3.696 -5.198 0.397 1.00 0.43 C ATOM 2417 CE1 PHE A 155 -6.359 -4.491 0.544 1.00 0.42 C ATOM 2418 CE2 PHE A 155 -4.187 -4.595 1.538 1.00 0.52 C ATOM 2419 CZ PHE A 155 -5.520 -4.241 1.611 1.00 0.42 C ATOM 0 H PHE A 155 -2.953 -8.684 -1.653 1.00 0.17 H new ATOM 0 HA PHE A 155 -5.645 -7.492 -1.912 1.00 0.18 H new ATOM 0 HB2 PHE A 155 -2.911 -6.203 -1.833 1.00 0.22 H new ATOM 0 HB3 PHE A 155 -4.189 -5.461 -2.774 1.00 0.22 H new ATOM 0 HD1 PHE A 155 -6.523 -5.289 -1.427 1.00 0.37 H new ATOM 0 HD2 PHE A 155 -2.653 -5.471 0.344 1.00 0.43 H new ATOM 0 HE1 PHE A 155 -7.402 -4.215 0.599 1.00 0.42 H new ATOM 0 HE2 PHE A 155 -3.529 -4.400 2.372 1.00 0.52 H new ATOM 0 HZ PHE A 155 -5.906 -3.769 2.502 1.00 0.42 H new ATOM 2429 N LYS A 156 -5.415 -7.223 -4.449 1.00 0.18 N ATOM 2430 CA LYS A 156 -5.449 -7.408 -5.893 1.00 0.21 C ATOM 2431 C LYS A 156 -5.501 -6.058 -6.597 1.00 0.22 C ATOM 2432 O LYS A 156 -6.076 -5.100 -6.076 1.00 0.28 O ATOM 2433 CB LYS A 156 -6.656 -8.255 -6.298 1.00 0.24 C ATOM 2434 CG LYS A 156 -6.603 -9.681 -5.772 1.00 0.27 C ATOM 2435 CD LYS A 156 -7.863 -10.456 -6.126 1.00 0.40 C ATOM 2436 CE LYS A 156 -8.048 -10.569 -7.633 1.00 0.93 C ATOM 2437 NZ LYS A 156 -9.287 -11.313 -7.988 1.00 1.38 N ATOM 0 H LYS A 156 -6.155 -6.620 -4.088 1.00 0.18 H new ATOM 0 HA LYS A 156 -4.540 -7.930 -6.194 1.00 0.21 H new ATOM 0 HB2 LYS A 156 -7.564 -7.776 -5.933 1.00 0.24 H new ATOM 0 HB3 LYS A 156 -6.723 -8.280 -7.386 1.00 0.24 H new ATOM 0 HG2 LYS A 156 -5.733 -10.190 -6.187 1.00 0.27 H new ATOM 0 HG3 LYS A 156 -6.477 -9.666 -4.689 1.00 0.27 H new ATOM 0 HD2 LYS A 156 -7.812 -11.453 -5.690 1.00 0.40 H new ATOM 0 HD3 LYS A 156 -8.730 -9.961 -5.689 1.00 0.40 H new ATOM 0 HE2 LYS A 156 -8.087 -9.571 -8.069 1.00 0.93 H new ATOM 0 HE3 LYS A 156 -7.185 -11.074 -8.067 1.00 0.93 H new ATOM 0 HZ1 LYS A 156 -9.375 -11.367 -9.023 1.00 1.38 H new ATOM 0 HZ2 LYS A 156 -9.240 -12.274 -7.594 1.00 1.38 H new ATOM 0 HZ3 LYS A 156 -10.113 -10.818 -7.596 1.00 1.38 H new ATOM 2451 N LEU A 157 -4.903 -5.988 -7.781 1.00 0.25 N ATOM 2452 CA LEU A 157 -4.876 -4.749 -8.548 1.00 0.29 C ATOM 2453 C LEU A 157 -5.592 -4.911 -9.886 1.00 0.32 C ATOM 2454 O LEU A 157 -5.316 -5.843 -10.640 1.00 0.53 O ATOM 2455 CB LEU A 157 -3.430 -4.306 -8.779 1.00 0.39 C ATOM 2456 CG LEU A 157 -2.598 -4.122 -7.509 1.00 0.48 C ATOM 2457 CD1 LEU A 157 -1.147 -3.837 -7.861 1.00 0.58 C ATOM 2458 CD2 LEU A 157 -3.168 -3.003 -6.653 1.00 0.51 C ATOM 0 H LEU A 157 -4.431 -6.773 -8.230 1.00 0.25 H new ATOM 0 HA LEU A 157 -5.400 -3.985 -7.974 1.00 0.29 H new ATOM 0 HB2 LEU A 157 -2.938 -5.043 -9.414 1.00 0.39 H new ATOM 0 HB3 LEU A 157 -3.438 -3.365 -9.329 1.00 0.39 H new ATOM 0 HG LEU A 157 -2.639 -5.047 -6.935 1.00 0.48 H new ATOM 0 HD11 LEU A 157 -0.569 -3.709 -6.946 1.00 0.58 H new ATOM 0 HD12 LEU A 157 -0.741 -4.671 -8.433 1.00 0.58 H new ATOM 0 HD13 LEU A 157 -1.089 -2.926 -8.457 1.00 0.58 H new ATOM 0 HD21 LEU A 157 -2.562 -2.888 -5.754 1.00 0.51 H new ATOM 0 HD22 LEU A 157 -3.159 -2.071 -7.219 1.00 0.51 H new ATOM 0 HD23 LEU A 157 -4.192 -3.246 -6.371 1.00 0.51 H new ATOM 2470 N SER A 158 -6.512 -3.993 -10.172 1.00 0.41 N ATOM 2471 CA SER A 158 -7.265 -4.026 -11.420 1.00 0.48 C ATOM 2472 C SER A 158 -6.615 -3.131 -12.469 1.00 0.50 C ATOM 2473 O SER A 158 -6.019 -2.106 -12.139 1.00 0.69 O ATOM 2474 CB SER A 158 -8.709 -3.579 -11.180 1.00 0.57 C ATOM 2475 OG SER A 158 -9.383 -4.475 -10.314 1.00 1.47 O ATOM 0 H SER A 158 -6.753 -3.217 -9.555 1.00 0.41 H new ATOM 0 HA SER A 158 -7.264 -5.052 -11.789 1.00 0.48 H new ATOM 0 HB2 SER A 158 -8.716 -2.578 -10.749 1.00 0.57 H new ATOM 0 HB3 SER A 158 -9.238 -3.521 -12.131 1.00 0.57 H new ATOM 0 HG SER A 158 -10.303 -4.166 -10.175 1.00 1.47 H new ATOM 2481 N GLU A 159 -6.736 -3.524 -13.732 1.00 0.58 N ATOM 2482 CA GLU A 159 -6.159 -2.755 -14.829 1.00 0.66 C ATOM 2483 C GLU A 159 -7.253 -2.101 -15.665 1.00 0.60 C ATOM 2484 O GLU A 159 -7.718 -2.668 -16.654 1.00 0.73 O ATOM 2485 CB GLU A 159 -5.297 -3.658 -15.713 1.00 0.94 C ATOM 2486 CG GLU A 159 -4.185 -4.367 -14.959 1.00 1.13 C ATOM 2487 CD GLU A 159 -3.380 -5.294 -15.848 1.00 1.69 C ATOM 2488 OE1 GLU A 159 -3.799 -6.458 -16.025 1.00 2.11 O ATOM 2489 OE2 GLU A 159 -2.331 -4.857 -16.367 1.00 2.23 O ATOM 0 H GLU A 159 -7.228 -4.369 -14.022 1.00 0.58 H new ATOM 0 HA GLU A 159 -5.533 -1.971 -14.403 1.00 0.66 H new ATOM 0 HB2 GLU A 159 -5.935 -4.403 -16.188 1.00 0.94 H new ATOM 0 HB3 GLU A 159 -4.859 -3.059 -16.511 1.00 0.94 H new ATOM 0 HG2 GLU A 159 -3.520 -3.625 -14.517 1.00 1.13 H new ATOM 0 HG3 GLU A 159 -4.615 -4.940 -14.137 1.00 1.13 H new ATOM 2496 N THR A 160 -7.663 -0.904 -15.257 1.00 0.57 N ATOM 2497 CA THR A 160 -8.701 -0.170 -15.970 1.00 0.69 C ATOM 2498 C THR A 160 -8.313 1.295 -16.150 1.00 1.35 C ATOM 2499 O THR A 160 -8.589 2.097 -15.234 1.00 1.89 O ATOM 2500 CB THR A 160 -10.051 -0.249 -15.234 1.00 1.14 C ATOM 2501 OG1 THR A 160 -9.901 0.196 -13.880 1.00 1.94 O ATOM 2502 CG2 THR A 160 -10.593 -1.670 -15.249 1.00 1.98 C ATOM 2503 OXT THR A 160 -7.736 1.626 -17.207 1.00 2.15 O ATOM 0 H THR A 160 -7.292 -0.423 -14.437 1.00 0.57 H new ATOM 0 HA THR A 160 -8.804 -0.637 -16.949 1.00 0.69 H new ATOM 0 HB THR A 160 -10.759 0.399 -15.751 1.00 1.14 H new ATOM 0 HG1 THR A 160 -9.369 1.019 -13.863 1.00 1.94 H new ATOM 0 HG21 THR A 160 -11.547 -1.701 -14.723 1.00 1.98 H new ATOM 0 HG22 THR A 160 -10.736 -1.994 -16.280 1.00 1.98 H new ATOM 0 HG23 THR A 160 -9.885 -2.335 -14.755 1.00 1.98 H new TER 2511 THR A 160