USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 596 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 31 THR OG1 : rot -145:sc= 0.67 USER MOD Set 1.2: B 131 THR OG1 : rot 79:sc= 1.01 USER MOD Set 2.1: B 114 TYR OH : rot -29:sc= -0.583! USER MOD Set 2.2: B 123 ASN : amide:sc= -3.29! C(o=-3.9!,f=-7!) USER MOD Set 3.1: A 14 TYR OH : rot 130:sc= -0.611 USER MOD Set 3.2: A 15 GLN : amide:sc= -0.574! C(o=-0.66!,f=-20!) USER MOD Set 3.3: A 18 LYS NZ :NH3+ 144:sc= 0.92 (180deg=0) USER MOD Set 3.4: B 103 GLN : amide:sc= -0.398 K(o=-0.66,f=-4.5!) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= -0.104 K(o=-0.1,f=-1.1) USER MOD Single : A 6 THR OG1 : rot -80:sc= -3.03! USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.0302 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot -110:sc= -0.791 USER MOD Single : A 20 TYR OH : rot 150:sc= -0.147 USER MOD Single : A 23 ASN : amide:sc= -2.14! C(o=-2.1!,f=-3.9!) USER MOD Single : A 25 SER OG : rot 180:sc= -0.697 USER MOD Single : A 29 SER OG : rot 158:sc= 0.891 USER MOD Single : A 30 THR OG1 : rot 93:sc= 1.04 USER MOD Single : A 32 MET CE :methyl 141:sc= -19.1! (180deg=-24.6!) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 ASN : amide:sc= -0.242 K(o=-0.24,f=-2.1!) USER MOD Single : B 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 106 THR OG1 : rot 70:sc= -2.99! USER MOD Single : B 108 THR OG1 : rot 54:sc= 0.015 USER MOD Single : B 111 SER OG : rot -42:sc= 1.22 USER MOD Single : B 113 SER OG : rot 124:sc= -2.17! USER MOD Single : B 115 GLN : amide:sc= -2.28! C(o=-2.3!,f=-2.1!) USER MOD Single : B 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 120 TYR OH : rot 180:sc= -1.36! USER MOD Single : B 125 SER OG : rot 180:sc= 0 USER MOD Single : B 129 SER OG : rot -140:sc= -1.37! USER MOD Single : B 130 THR OG1 : rot 180:sc= 0 USER MOD Single : B 132 MET CE :methyl -146:sc= -17.1! (180deg=-21.4!) USER MOD Single : B 133 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 134 ASN : amide:sc= -0.314 X(o=-0.31,f=-0.57) USER MOD ----------------------------------------------------------------- ATOM 20 N LYS A 2 4.611 -10.462 12.475 1.00 0.00 N ATOM 21 CA LYS A 2 4.638 -10.247 11.024 1.00 0.00 C ATOM 22 C LYS A 2 3.317 -10.655 10.371 1.00 0.00 C ATOM 23 O LYS A 2 3.260 -11.621 9.605 1.00 0.00 O ATOM 24 CB LYS A 2 5.789 -11.025 10.379 1.00 0.00 C ATOM 25 CG LYS A 2 7.169 -10.531 10.780 1.00 0.00 C ATOM 26 CD LYS A 2 8.253 -11.505 10.345 1.00 0.00 C ATOM 27 CE LYS A 2 9.570 -11.226 11.049 1.00 0.00 C ATOM 28 NZ LYS A 2 9.848 -12.230 12.119 1.00 0.00 N ATOM 0 HA LYS A 2 4.790 -9.180 10.861 1.00 0.00 H new ATOM 0 HB2 LYS A 2 5.699 -12.077 10.648 1.00 0.00 H new ATOM 0 HB3 LYS A 2 5.693 -10.964 9.295 1.00 0.00 H new ATOM 0 HG2 LYS A 2 7.353 -9.555 10.331 1.00 0.00 H new ATOM 0 HG3 LYS A 2 7.210 -10.397 11.861 1.00 0.00 H new ATOM 0 HD2 LYS A 2 7.934 -12.525 10.559 1.00 0.00 H new ATOM 0 HD3 LYS A 2 8.394 -11.435 9.266 1.00 0.00 H new ATOM 0 HE2 LYS A 2 10.381 -11.236 10.321 1.00 0.00 H new ATOM 0 HE3 LYS A 2 9.545 -10.227 11.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 10.755 -12.007 12.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 9.087 -12.203 12.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 9.897 -13.180 11.699 1.00 0.00 H new ATOM 42 N GLN A 3 2.261 -9.901 10.648 1.00 0.00 N ATOM 43 CA GLN A 3 0.963 -10.175 10.067 1.00 0.00 C ATOM 44 C GLN A 3 0.979 -9.873 8.593 1.00 0.00 C ATOM 45 O GLN A 3 1.141 -8.724 8.180 1.00 0.00 O ATOM 46 CB GLN A 3 -0.161 -9.364 10.763 1.00 0.00 C ATOM 47 CG GLN A 3 -1.501 -9.448 10.035 1.00 0.00 C ATOM 48 CD GLN A 3 -2.490 -10.397 10.685 1.00 0.00 C ATOM 49 OE1 GLN A 3 -2.515 -10.559 11.903 1.00 0.00 O ATOM 50 NE2 GLN A 3 -3.321 -11.022 9.867 1.00 0.00 N ATOM 0 H GLN A 3 2.283 -9.095 11.273 1.00 0.00 H new ATOM 0 HA GLN A 3 0.752 -11.234 10.217 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -0.285 -9.728 11.783 1.00 0.00 H new ATOM 0 HB3 GLN A 3 0.143 -8.320 10.832 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -1.943 -8.453 9.989 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -1.327 -9.767 9.007 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -3.266 -10.859 8.862 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -4.017 -11.667 10.242 1.00 0.00 H new ATOM 59 N ARG A 4 0.805 -10.913 7.799 1.00 0.00 N ATOM 60 CA ARG A 4 0.805 -10.739 6.373 1.00 0.00 C ATOM 61 C ARG A 4 -0.531 -10.179 5.944 1.00 0.00 C ATOM 62 O ARG A 4 -1.516 -10.900 5.788 1.00 0.00 O ATOM 63 CB ARG A 4 1.076 -12.056 5.663 1.00 0.00 C ATOM 64 CG ARG A 4 1.955 -11.902 4.441 1.00 0.00 C ATOM 65 CD ARG A 4 2.464 -13.245 3.948 1.00 0.00 C ATOM 66 NE ARG A 4 3.767 -13.579 4.536 1.00 0.00 N ATOM 67 CZ ARG A 4 4.897 -13.722 3.848 1.00 0.00 C ATOM 68 NH1 ARG A 4 4.906 -13.622 2.535 1.00 0.00 N ATOM 69 NH2 ARG A 4 6.027 -13.975 4.483 1.00 0.00 N ATOM 0 H ARG A 4 0.664 -11.871 8.119 1.00 0.00 H new ATOM 0 HA ARG A 4 1.600 -10.045 6.101 1.00 0.00 H new ATOM 0 HB2 ARG A 4 1.551 -12.747 6.360 1.00 0.00 H new ATOM 0 HB3 ARG A 4 0.128 -12.504 5.367 1.00 0.00 H new ATOM 0 HG2 ARG A 4 1.393 -11.411 3.647 1.00 0.00 H new ATOM 0 HG3 ARG A 4 2.800 -11.256 4.679 1.00 0.00 H new ATOM 0 HD2 ARG A 4 1.742 -14.022 4.198 1.00 0.00 H new ATOM 0 HD3 ARG A 4 2.549 -13.226 2.861 1.00 0.00 H new ATOM 0 HE ARG A 4 3.809 -13.711 5.547 1.00 0.00 H new ATOM 0 HH11 ARG A 4 4.039 -13.433 2.032 1.00 0.00 H new ATOM 0 HH12 ARG A 4 5.780 -13.734 2.021 1.00 0.00 H new ATOM 0 HH21 ARG A 4 6.033 -14.061 5.499 1.00 0.00 H new ATOM 0 HH22 ARG A 4 6.894 -14.085 3.957 1.00 0.00 H new ATOM 83 N ILE A 5 -0.539 -8.881 5.740 1.00 0.00 N ATOM 84 CA ILE A 5 -1.721 -8.170 5.308 1.00 0.00 C ATOM 85 C ILE A 5 -1.593 -7.964 3.825 1.00 0.00 C ATOM 86 O ILE A 5 -0.608 -7.391 3.377 1.00 0.00 O ATOM 87 CB ILE A 5 -1.841 -6.817 6.040 1.00 0.00 C ATOM 88 CG1 ILE A 5 -1.073 -5.715 5.309 1.00 0.00 C ATOM 89 CG2 ILE A 5 -1.306 -6.968 7.458 1.00 0.00 C ATOM 90 CD1 ILE A 5 -1.352 -4.329 5.831 1.00 0.00 C ATOM 0 H ILE A 5 0.279 -8.286 5.870 1.00 0.00 H new ATOM 0 HA ILE A 5 -2.621 -8.739 5.541 1.00 0.00 H new ATOM 0 HB ILE A 5 -2.892 -6.529 6.064 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -0.005 -5.915 5.390 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -1.325 -5.751 4.249 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -1.388 -6.015 7.981 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -1.886 -7.724 7.987 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -0.260 -7.273 7.422 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -0.771 -3.602 5.263 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -2.414 -4.107 5.725 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -1.073 -4.273 6.883 1.00 0.00 H new ATOM 102 N THR A 6 -2.521 -8.476 3.045 1.00 0.00 N ATOM 103 CA THR A 6 -2.373 -8.349 1.611 1.00 0.00 C ATOM 104 C THR A 6 -3.626 -7.848 0.896 1.00 0.00 C ATOM 105 O THR A 6 -4.694 -8.454 0.987 1.00 0.00 O ATOM 106 CB THR A 6 -1.878 -9.687 1.011 1.00 0.00 C ATOM 107 OG1 THR A 6 -2.657 -10.073 -0.112 1.00 0.00 O ATOM 108 CG2 THR A 6 -1.895 -10.846 1.985 1.00 0.00 C ATOM 0 H THR A 6 -3.357 -8.967 3.363 1.00 0.00 H new ATOM 0 HA THR A 6 -1.625 -7.574 1.443 1.00 0.00 H new ATOM 0 HB THR A 6 -0.845 -9.484 0.729 1.00 0.00 H new ATOM 0 HG1 THR A 6 -3.491 -10.487 0.195 1.00 0.00 H new ATOM 0 HG21 THR A 6 -1.534 -11.746 1.486 1.00 0.00 H new ATOM 0 HG22 THR A 6 -1.250 -10.618 2.834 1.00 0.00 H new ATOM 0 HG23 THR A 6 -2.913 -11.010 2.337 1.00 0.00 H new ATOM 116 N VAL A 7 -3.452 -6.773 0.112 1.00 0.00 N ATOM 117 CA VAL A 7 -4.531 -6.217 -0.715 1.00 0.00 C ATOM 118 C VAL A 7 -4.335 -6.724 -2.139 1.00 0.00 C ATOM 119 O VAL A 7 -3.386 -6.325 -2.814 1.00 0.00 O ATOM 120 CB VAL A 7 -4.562 -4.646 -0.729 1.00 0.00 C ATOM 121 CG1 VAL A 7 -3.194 -4.063 -0.412 1.00 0.00 C ATOM 122 CG2 VAL A 7 -5.067 -4.086 -2.076 1.00 0.00 C ATOM 0 H VAL A 7 -2.568 -6.270 0.034 1.00 0.00 H new ATOM 0 HA VAL A 7 -5.480 -6.542 -0.287 1.00 0.00 H new ATOM 0 HB VAL A 7 -5.265 -4.345 0.048 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -3.249 -2.975 -0.430 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -2.878 -4.394 0.577 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -2.473 -4.402 -1.156 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -5.071 -2.997 -2.039 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -4.409 -4.419 -2.878 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -6.078 -4.446 -2.264 1.00 0.00 H new ATOM 132 N THR A 8 -5.202 -7.613 -2.601 1.00 0.00 N ATOM 133 CA THR A 8 -5.072 -8.135 -3.952 1.00 0.00 C ATOM 134 C THR A 8 -5.427 -7.033 -4.956 1.00 0.00 C ATOM 135 O THR A 8 -6.599 -6.801 -5.253 1.00 0.00 O ATOM 136 CB THR A 8 -5.941 -9.384 -4.137 1.00 0.00 C ATOM 137 OG1 THR A 8 -7.171 -9.280 -3.435 1.00 0.00 O ATOM 138 CG2 THR A 8 -5.265 -10.655 -3.676 1.00 0.00 C ATOM 0 H THR A 8 -5.991 -7.983 -2.070 1.00 0.00 H new ATOM 0 HA THR A 8 -4.041 -8.441 -4.130 1.00 0.00 H new ATOM 0 HB THR A 8 -6.114 -9.439 -5.212 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.699 -10.093 -3.578 1.00 0.00 H new ATOM 0 HG21 THR A 8 -5.934 -11.501 -3.835 1.00 0.00 H new ATOM 0 HG22 THR A 8 -4.348 -10.806 -4.245 1.00 0.00 H new ATOM 0 HG23 THR A 8 -5.026 -10.576 -2.616 1.00 0.00 H new ATOM 146 N VAL A 9 -4.404 -6.325 -5.442 1.00 0.00 N ATOM 147 CA VAL A 9 -4.614 -5.210 -6.375 1.00 0.00 C ATOM 148 C VAL A 9 -4.364 -5.616 -7.839 1.00 0.00 C ATOM 149 O VAL A 9 -5.091 -6.477 -8.335 1.00 0.00 O ATOM 150 CB VAL A 9 -3.791 -3.954 -5.970 1.00 0.00 C ATOM 151 CG1 VAL A 9 -4.661 -2.932 -5.278 1.00 0.00 C ATOM 152 CG2 VAL A 9 -2.649 -4.326 -5.068 1.00 0.00 C ATOM 0 H VAL A 9 -3.427 -6.501 -5.208 1.00 0.00 H new ATOM 0 HA VAL A 9 -5.667 -4.938 -6.305 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.395 -3.519 -6.887 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -4.058 -2.065 -5.007 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -5.462 -2.622 -5.949 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -5.092 -3.371 -4.378 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -2.090 -3.429 -4.800 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -3.037 -4.795 -4.164 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -1.990 -5.024 -5.585 1.00 0.00 H new ATOM 162 N ASP A 10 -3.409 -4.961 -8.556 1.00 0.00 N ATOM 163 CA ASP A 10 -3.163 -5.225 -9.994 1.00 0.00 C ATOM 164 C ASP A 10 -3.902 -4.176 -10.831 1.00 0.00 C ATOM 165 O ASP A 10 -4.033 -4.286 -12.052 1.00 0.00 O ATOM 166 CB ASP A 10 -3.664 -6.592 -10.392 1.00 0.00 C ATOM 167 CG ASP A 10 -2.989 -7.153 -11.627 1.00 0.00 C ATOM 168 OD1 ASP A 10 -1.859 -7.662 -11.497 1.00 0.00 O ATOM 169 OD2 ASP A 10 -3.594 -7.095 -12.721 1.00 0.00 O ATOM 0 H ASP A 10 -2.799 -4.247 -8.157 1.00 0.00 H new ATOM 0 HA ASP A 10 -2.088 -5.178 -10.169 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -3.512 -7.281 -9.561 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -4.738 -6.538 -10.569 1.00 0.00 H new ATOM 174 N SER A 11 -4.370 -3.155 -10.137 1.00 0.00 N ATOM 175 CA SER A 11 -5.096 -2.050 -10.751 1.00 0.00 C ATOM 176 C SER A 11 -5.330 -0.894 -9.777 1.00 0.00 C ATOM 177 O SER A 11 -5.271 0.271 -10.176 1.00 0.00 O ATOM 178 CB SER A 11 -6.443 -2.537 -11.292 1.00 0.00 C ATOM 179 OG SER A 11 -7.106 -1.513 -12.019 1.00 0.00 O ATOM 0 H SER A 11 -4.259 -3.065 -9.127 1.00 0.00 H new ATOM 0 HA SER A 11 -4.476 -1.679 -11.567 1.00 0.00 H new ATOM 0 HB2 SER A 11 -6.287 -3.402 -11.937 1.00 0.00 H new ATOM 0 HB3 SER A 11 -7.073 -2.865 -10.465 1.00 0.00 H new ATOM 0 HG SER A 11 -7.962 -1.852 -12.354 1.00 0.00 H new ATOM 185 N ASP A 12 -5.662 -1.207 -8.519 1.00 0.00 N ATOM 186 CA ASP A 12 -5.980 -0.181 -7.532 1.00 0.00 C ATOM 187 C ASP A 12 -4.769 0.686 -7.106 1.00 0.00 C ATOM 188 O ASP A 12 -4.549 0.923 -5.924 1.00 0.00 O ATOM 189 CB ASP A 12 -6.661 -0.833 -6.312 1.00 0.00 C ATOM 190 CG ASP A 12 -7.410 -2.123 -6.635 1.00 0.00 C ATOM 191 OD1 ASP A 12 -6.787 -3.067 -7.175 1.00 0.00 O ATOM 192 OD2 ASP A 12 -8.617 -2.193 -6.337 1.00 0.00 O ATOM 0 H ASP A 12 -5.716 -2.162 -8.166 1.00 0.00 H new ATOM 0 HA ASP A 12 -6.667 0.516 -8.012 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -5.904 -1.044 -5.556 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -7.359 -0.120 -5.874 1.00 0.00 H new ATOM 197 N SER A 13 -4.031 1.214 -8.085 1.00 0.00 N ATOM 198 CA SER A 13 -2.894 2.122 -7.841 1.00 0.00 C ATOM 199 C SER A 13 -1.841 1.609 -6.850 1.00 0.00 C ATOM 200 O SER A 13 -0.987 2.383 -6.424 1.00 0.00 O ATOM 201 CB SER A 13 -3.439 3.446 -7.316 1.00 0.00 C ATOM 202 OG SER A 13 -3.588 4.385 -8.366 1.00 0.00 O ATOM 0 H SER A 13 -4.201 1.027 -9.073 1.00 0.00 H new ATOM 0 HA SER A 13 -2.381 2.217 -8.798 1.00 0.00 H new ATOM 0 HB2 SER A 13 -4.401 3.281 -6.832 1.00 0.00 H new ATOM 0 HB3 SER A 13 -2.765 3.846 -6.558 1.00 0.00 H new ATOM 0 HG SER A 13 -2.921 5.096 -8.266 1.00 0.00 H new ATOM 208 N TYR A 14 -1.876 0.332 -6.489 1.00 0.00 N ATOM 209 CA TYR A 14 -0.900 -0.203 -5.536 1.00 0.00 C ATOM 210 C TYR A 14 0.513 -0.219 -6.108 1.00 0.00 C ATOM 211 O TYR A 14 1.452 0.316 -5.519 1.00 0.00 O ATOM 212 CB TYR A 14 -1.284 -1.621 -5.111 1.00 0.00 C ATOM 213 CG TYR A 14 -0.131 -2.616 -5.147 1.00 0.00 C ATOM 214 CD1 TYR A 14 0.888 -2.564 -4.206 1.00 0.00 C ATOM 215 CD2 TYR A 14 -0.065 -3.600 -6.124 1.00 0.00 C ATOM 216 CE1 TYR A 14 1.937 -3.465 -4.236 1.00 0.00 C ATOM 217 CE2 TYR A 14 0.977 -4.505 -6.162 1.00 0.00 C ATOM 218 CZ TYR A 14 1.976 -4.435 -5.217 1.00 0.00 C ATOM 219 OH TYR A 14 3.015 -5.336 -5.253 1.00 0.00 O ATOM 0 H TYR A 14 -2.556 -0.346 -6.833 1.00 0.00 H new ATOM 0 HA TYR A 14 -0.911 0.460 -4.671 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -1.690 -1.588 -4.100 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -2.080 -1.981 -5.762 1.00 0.00 H new ATOM 0 HD1 TYR A 14 0.861 -1.807 -3.437 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -0.844 -3.659 -6.869 1.00 0.00 H new ATOM 0 HE1 TYR A 14 2.721 -3.410 -3.496 1.00 0.00 H new ATOM 0 HE2 TYR A 14 1.008 -5.264 -6.929 1.00 0.00 H new ATOM 0 HH TYR A 14 2.657 -6.246 -5.320 1.00 0.00 H new ATOM 229 N GLN A 15 0.666 -0.899 -7.230 1.00 0.00 N ATOM 230 CA GLN A 15 1.967 -1.063 -7.843 1.00 0.00 C ATOM 231 C GLN A 15 2.739 0.250 -8.013 1.00 0.00 C ATOM 232 O GLN A 15 3.961 0.235 -7.985 1.00 0.00 O ATOM 233 CB GLN A 15 1.820 -1.814 -9.157 1.00 0.00 C ATOM 234 CG GLN A 15 1.485 -3.278 -8.925 1.00 0.00 C ATOM 235 CD GLN A 15 2.291 -4.219 -9.800 1.00 0.00 C ATOM 236 OE1 GLN A 15 3.348 -4.711 -9.395 1.00 0.00 O ATOM 237 NE2 GLN A 15 1.805 -4.474 -11.004 1.00 0.00 N ATOM 0 H GLN A 15 -0.099 -1.347 -7.735 1.00 0.00 H new ATOM 0 HA GLN A 15 2.577 -1.653 -7.159 1.00 0.00 H new ATOM 0 HB2 GLN A 15 1.037 -1.351 -9.757 1.00 0.00 H new ATOM 0 HB3 GLN A 15 2.746 -1.737 -9.727 1.00 0.00 H new ATOM 0 HG2 GLN A 15 1.663 -3.524 -7.878 1.00 0.00 H new ATOM 0 HG3 GLN A 15 0.423 -3.436 -9.114 1.00 0.00 H new ATOM 0 HE21 GLN A 15 0.928 -4.047 -11.301 1.00 0.00 H new ATOM 0 HE22 GLN A 15 2.308 -5.098 -11.635 1.00 0.00 H new ATOM 246 N LEU A 16 2.044 1.381 -8.167 1.00 0.00 N ATOM 247 CA LEU A 16 2.724 2.673 -8.319 1.00 0.00 C ATOM 248 C LEU A 16 3.546 3.032 -7.070 1.00 0.00 C ATOM 249 O LEU A 16 4.751 3.266 -7.163 1.00 0.00 O ATOM 250 CB LEU A 16 1.704 3.782 -8.603 1.00 0.00 C ATOM 251 CG LEU A 16 2.016 4.655 -9.820 1.00 0.00 C ATOM 252 CD1 LEU A 16 0.790 5.451 -10.242 1.00 0.00 C ATOM 253 CD2 LEU A 16 3.177 5.591 -9.520 1.00 0.00 C ATOM 0 H LEU A 16 1.025 1.430 -8.190 1.00 0.00 H new ATOM 0 HA LEU A 16 3.409 2.585 -9.162 1.00 0.00 H new ATOM 0 HB2 LEU A 16 0.724 3.326 -8.744 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.633 4.423 -7.724 1.00 0.00 H new ATOM 0 HG LEU A 16 2.300 4.001 -10.644 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.035 6.064 -11.109 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.018 4.766 -10.499 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.473 6.094 -9.421 1.00 0.00 H new ATOM 0 HD21 LEU A 16 3.386 6.205 -10.396 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.917 6.235 -8.680 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.061 5.005 -9.269 1.00 0.00 H new ATOM 265 N LEU A 17 2.879 3.084 -5.911 1.00 0.00 N ATOM 266 CA LEU A 17 3.561 3.436 -4.649 1.00 0.00 C ATOM 267 C LEU A 17 4.860 2.665 -4.472 1.00 0.00 C ATOM 268 O LEU A 17 5.907 3.222 -4.144 1.00 0.00 O ATOM 269 CB LEU A 17 2.688 3.132 -3.458 1.00 0.00 C ATOM 270 CG LEU A 17 2.289 4.326 -2.596 1.00 0.00 C ATOM 271 CD1 LEU A 17 1.344 3.877 -1.505 1.00 0.00 C ATOM 272 CD2 LEU A 17 3.515 4.979 -1.985 1.00 0.00 C ATOM 0 H LEU A 17 1.882 2.891 -5.815 1.00 0.00 H new ATOM 0 HA LEU A 17 3.772 4.504 -4.708 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.779 2.647 -3.814 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.208 2.411 -2.827 1.00 0.00 H new ATOM 0 HG LEU A 17 1.787 5.059 -3.228 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.062 4.733 -0.892 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.451 3.442 -1.954 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.837 3.131 -0.881 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.209 5.828 -1.374 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.041 4.255 -1.362 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.178 5.324 -2.779 1.00 0.00 H new ATOM 284 N LYS A 18 4.762 1.369 -4.677 1.00 0.00 N ATOM 285 CA LYS A 18 5.896 0.468 -4.529 1.00 0.00 C ATOM 286 C LYS A 18 6.811 0.511 -5.745 1.00 0.00 C ATOM 287 O LYS A 18 8.008 0.247 -5.649 1.00 0.00 O ATOM 288 CB LYS A 18 5.382 -0.942 -4.301 1.00 0.00 C ATOM 289 CG LYS A 18 4.548 -1.426 -5.457 1.00 0.00 C ATOM 290 CD LYS A 18 4.881 -2.862 -5.817 1.00 0.00 C ATOM 291 CE LYS A 18 4.482 -3.176 -7.243 1.00 0.00 C ATOM 292 NZ LYS A 18 5.146 -4.407 -7.752 1.00 0.00 N ATOM 0 H LYS A 18 3.896 0.905 -4.951 1.00 0.00 H new ATOM 0 HA LYS A 18 6.486 0.790 -3.671 1.00 0.00 H new ATOM 0 HB2 LYS A 18 6.225 -1.617 -4.153 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.788 -0.969 -3.388 1.00 0.00 H new ATOM 0 HG2 LYS A 18 3.491 -1.349 -5.202 1.00 0.00 H new ATOM 0 HG3 LYS A 18 4.715 -0.784 -6.322 1.00 0.00 H new ATOM 0 HD2 LYS A 18 5.950 -3.033 -5.690 1.00 0.00 H new ATOM 0 HD3 LYS A 18 4.367 -3.539 -5.135 1.00 0.00 H new ATOM 0 HE2 LYS A 18 3.400 -3.299 -7.298 1.00 0.00 H new ATOM 0 HE3 LYS A 18 4.740 -2.334 -7.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 4.491 -4.923 -8.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 5.998 -4.146 -8.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 5.413 -5.014 -6.951 1.00 0.00 H new ATOM 306 N ALA A 19 6.230 0.861 -6.881 1.00 0.00 N ATOM 307 CA ALA A 19 6.976 0.968 -8.127 1.00 0.00 C ATOM 308 C ALA A 19 7.915 2.162 -8.070 1.00 0.00 C ATOM 309 O ALA A 19 8.923 2.201 -8.779 1.00 0.00 O ATOM 310 CB ALA A 19 6.044 1.081 -9.324 1.00 0.00 C ATOM 0 H ALA A 19 5.237 1.077 -6.967 1.00 0.00 H new ATOM 0 HA ALA A 19 7.563 0.058 -8.250 1.00 0.00 H new ATOM 0 HB1 ALA A 19 6.633 1.159 -10.238 1.00 0.00 H new ATOM 0 HB2 ALA A 19 5.410 0.196 -9.376 1.00 0.00 H new ATOM 0 HB3 ALA A 19 5.421 1.969 -9.217 1.00 0.00 H new ATOM 316 N TYR A 20 7.594 3.131 -7.206 1.00 0.00 N ATOM 317 CA TYR A 20 8.435 4.290 -7.064 1.00 0.00 C ATOM 318 C TYR A 20 9.515 4.022 -6.022 1.00 0.00 C ATOM 319 O TYR A 20 10.666 4.366 -6.275 1.00 0.00 O ATOM 320 CB TYR A 20 7.618 5.574 -6.802 1.00 0.00 C ATOM 321 CG TYR A 20 7.185 5.853 -5.376 1.00 0.00 C ATOM 322 CD1 TYR A 20 8.093 5.937 -4.326 1.00 0.00 C ATOM 323 CD2 TYR A 20 5.846 6.074 -5.096 1.00 0.00 C ATOM 324 CE1 TYR A 20 7.669 6.227 -3.042 1.00 0.00 C ATOM 325 CE2 TYR A 20 5.419 6.363 -3.824 1.00 0.00 C ATOM 326 CZ TYR A 20 6.329 6.439 -2.798 1.00 0.00 C ATOM 327 OH TYR A 20 5.895 6.719 -1.524 1.00 0.00 O ATOM 0 H TYR A 20 6.767 3.123 -6.609 1.00 0.00 H new ATOM 0 HA TYR A 20 8.943 4.478 -8.010 1.00 0.00 H new ATOM 0 HB2 TYR A 20 8.208 6.423 -7.146 1.00 0.00 H new ATOM 0 HB3 TYR A 20 6.723 5.535 -7.423 1.00 0.00 H new ATOM 0 HD1 TYR A 20 9.144 5.774 -4.516 1.00 0.00 H new ATOM 0 HD2 TYR A 20 5.123 6.018 -5.896 1.00 0.00 H new ATOM 0 HE1 TYR A 20 8.384 6.287 -2.235 1.00 0.00 H new ATOM 0 HE2 TYR A 20 4.370 6.530 -3.630 1.00 0.00 H new ATOM 0 HH TYR A 20 5.092 7.280 -1.568 1.00 0.00 H new ATOM 337 N ASP A 21 9.185 3.359 -4.883 1.00 0.00 N ATOM 338 CA ASP A 21 10.247 3.039 -3.898 1.00 0.00 C ATOM 339 C ASP A 21 9.727 2.580 -2.541 1.00 0.00 C ATOM 340 O ASP A 21 10.493 2.078 -1.716 1.00 0.00 O ATOM 341 CB ASP A 21 11.175 4.245 -3.681 1.00 0.00 C ATOM 342 CG ASP A 21 12.579 4.015 -4.214 1.00 0.00 C ATOM 343 OD1 ASP A 21 13.047 2.855 -4.200 1.00 0.00 O ATOM 344 OD2 ASP A 21 13.213 5.002 -4.638 1.00 0.00 O ATOM 0 H ASP A 21 8.245 3.051 -4.633 1.00 0.00 H new ATOM 0 HA ASP A 21 10.790 2.202 -4.338 1.00 0.00 H new ATOM 0 HB2 ASP A 21 10.745 5.120 -4.169 1.00 0.00 H new ATOM 0 HB3 ASP A 21 11.229 4.469 -2.616 1.00 0.00 H new ATOM 349 N VAL A 22 8.447 2.756 -2.298 1.00 0.00 N ATOM 350 CA VAL A 22 7.855 2.378 -1.037 1.00 0.00 C ATOM 351 C VAL A 22 6.954 1.180 -1.195 1.00 0.00 C ATOM 352 O VAL A 22 5.736 1.325 -1.331 1.00 0.00 O ATOM 353 CB VAL A 22 7.062 3.568 -0.485 1.00 0.00 C ATOM 354 CG1 VAL A 22 6.291 3.195 0.773 1.00 0.00 C ATOM 355 CG2 VAL A 22 7.999 4.731 -0.221 1.00 0.00 C ATOM 0 H VAL A 22 7.792 3.163 -2.966 1.00 0.00 H new ATOM 0 HA VAL A 22 8.648 2.104 -0.341 1.00 0.00 H new ATOM 0 HB VAL A 22 6.328 3.865 -1.233 1.00 0.00 H new ATOM 0 HG11 VAL A 22 5.742 4.064 1.134 1.00 0.00 H new ATOM 0 HG12 VAL A 22 5.590 2.392 0.545 1.00 0.00 H new ATOM 0 HG13 VAL A 22 6.988 2.861 1.542 1.00 0.00 H new ATOM 0 HG21 VAL A 22 7.431 5.574 0.171 1.00 0.00 H new ATOM 0 HG22 VAL A 22 8.754 4.432 0.507 1.00 0.00 H new ATOM 0 HG23 VAL A 22 8.487 5.023 -1.151 1.00 0.00 H new ATOM 365 N ASN A 23 7.558 -0.011 -1.230 1.00 0.00 N ATOM 366 CA ASN A 23 6.781 -1.230 -1.400 1.00 0.00 C ATOM 367 C ASN A 23 5.834 -1.442 -0.228 1.00 0.00 C ATOM 368 O ASN A 23 5.913 -2.446 0.483 1.00 0.00 O ATOM 369 CB ASN A 23 7.646 -2.466 -1.580 1.00 0.00 C ATOM 370 CG ASN A 23 8.386 -2.492 -2.904 1.00 0.00 C ATOM 371 OD1 ASN A 23 7.835 -2.897 -3.925 1.00 0.00 O ATOM 372 ND2 ASN A 23 9.640 -2.064 -2.896 1.00 0.00 N ATOM 0 H ASN A 23 8.565 -0.151 -1.144 1.00 0.00 H new ATOM 0 HA ASN A 23 6.208 -1.092 -2.317 1.00 0.00 H new ATOM 0 HB2 ASN A 23 8.369 -2.517 -0.766 1.00 0.00 H new ATOM 0 HB3 ASN A 23 7.019 -3.354 -1.505 1.00 0.00 H new ATOM 0 HD21 ASN A 23 10.184 -2.063 -3.759 1.00 0.00 H new ATOM 0 HD22 ASN A 23 10.061 -1.736 -2.027 1.00 0.00 H new ATOM 379 N ILE A 24 4.947 -0.471 -0.067 1.00 0.00 N ATOM 380 CA ILE A 24 3.901 -0.400 0.936 1.00 0.00 C ATOM 381 C ILE A 24 4.276 -0.735 2.374 1.00 0.00 C ATOM 382 O ILE A 24 3.508 -0.401 3.278 1.00 0.00 O ATOM 383 CB ILE A 24 2.713 -1.265 0.564 1.00 0.00 C ATOM 384 CG1 ILE A 24 2.890 -1.798 -0.827 1.00 0.00 C ATOM 385 CG2 ILE A 24 1.420 -0.507 0.716 1.00 0.00 C ATOM 386 CD1 ILE A 24 3.758 -2.993 -0.773 1.00 0.00 C ATOM 0 H ILE A 24 4.941 0.345 -0.679 1.00 0.00 H new ATOM 0 HA ILE A 24 3.668 0.665 0.927 1.00 0.00 H new ATOM 0 HB ILE A 24 2.662 -2.112 1.249 1.00 0.00 H new ATOM 0 HG12 ILE A 24 1.922 -2.054 -1.259 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.335 -1.037 -1.469 1.00 0.00 H new ATOM 0 HG21 ILE A 24 0.585 -1.153 0.442 1.00 0.00 H new ATOM 0 HG22 ILE A 24 1.306 -0.186 1.751 1.00 0.00 H new ATOM 0 HG23 ILE A 24 1.432 0.367 0.064 1.00 0.00 H new ATOM 0 HD11 ILE A 24 3.894 -3.390 -1.779 1.00 0.00 H new ATOM 0 HD12 ILE A 24 4.728 -2.720 -0.356 1.00 0.00 H new ATOM 0 HD13 ILE A 24 3.293 -3.752 -0.144 1.00 0.00 H new ATOM 398 N SER A 25 5.359 -1.474 2.592 1.00 0.00 N ATOM 399 CA SER A 25 5.692 -1.932 3.929 1.00 0.00 C ATOM 400 C SER A 25 5.390 -0.868 5.001 1.00 0.00 C ATOM 401 O SER A 25 4.499 -1.054 5.851 1.00 0.00 O ATOM 402 CB SER A 25 7.170 -2.363 3.993 1.00 0.00 C ATOM 403 OG SER A 25 7.939 -1.513 4.832 1.00 0.00 O ATOM 0 H SER A 25 6.013 -1.764 1.865 1.00 0.00 H new ATOM 0 HA SER A 25 5.060 -2.793 4.146 1.00 0.00 H new ATOM 0 HB2 SER A 25 7.233 -3.387 4.360 1.00 0.00 H new ATOM 0 HB3 SER A 25 7.592 -2.358 2.988 1.00 0.00 H new ATOM 0 HG SER A 25 8.869 -1.822 4.846 1.00 0.00 H new ATOM 409 N GLY A 26 6.090 0.264 4.929 1.00 0.00 N ATOM 410 CA GLY A 26 5.857 1.346 5.875 1.00 0.00 C ATOM 411 C GLY A 26 4.702 2.233 5.460 1.00 0.00 C ATOM 412 O GLY A 26 4.203 3.026 6.256 1.00 0.00 O ATOM 0 H GLY A 26 6.813 0.451 4.234 1.00 0.00 H new ATOM 0 HA2 GLY A 26 5.654 0.927 6.861 1.00 0.00 H new ATOM 0 HA3 GLY A 26 6.761 1.948 5.965 1.00 0.00 H new ATOM 416 N LEU A 27 4.276 2.100 4.209 1.00 0.00 N ATOM 417 CA LEU A 27 3.182 2.880 3.678 1.00 0.00 C ATOM 418 C LEU A 27 1.882 2.518 4.377 1.00 0.00 C ATOM 419 O LEU A 27 1.270 3.374 5.021 1.00 0.00 O ATOM 420 CB LEU A 27 3.066 2.630 2.187 1.00 0.00 C ATOM 421 CG LEU A 27 2.030 3.460 1.449 1.00 0.00 C ATOM 422 CD1 LEU A 27 0.788 2.618 1.214 1.00 0.00 C ATOM 423 CD2 LEU A 27 1.704 4.729 2.219 1.00 0.00 C ATOM 0 H LEU A 27 4.684 1.447 3.540 1.00 0.00 H new ATOM 0 HA LEU A 27 3.378 3.938 3.853 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.039 2.812 1.732 1.00 0.00 H new ATOM 0 HB3 LEU A 27 2.835 1.576 2.033 1.00 0.00 H new ATOM 0 HG LEU A 27 2.433 3.766 0.484 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.042 3.210 0.684 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.048 1.744 0.617 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.381 2.294 2.172 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.960 5.306 1.670 1.00 0.00 H new ATOM 0 HD22 LEU A 27 1.309 4.468 3.201 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.609 5.324 2.339 1.00 0.00 H new ATOM 435 N VAL A 28 1.457 1.246 4.265 1.00 0.00 N ATOM 436 CA VAL A 28 0.237 0.826 4.920 1.00 0.00 C ATOM 437 C VAL A 28 0.288 1.241 6.387 1.00 0.00 C ATOM 438 O VAL A 28 -0.532 2.026 6.848 1.00 0.00 O ATOM 439 CB VAL A 28 0.037 -0.694 4.812 1.00 0.00 C ATOM 440 CG1 VAL A 28 -1.094 -1.137 5.716 1.00 0.00 C ATOM 441 CG2 VAL A 28 -0.239 -1.091 3.372 1.00 0.00 C ATOM 0 H VAL A 28 1.938 0.518 3.737 1.00 0.00 H new ATOM 0 HA VAL A 28 -0.606 1.308 4.425 1.00 0.00 H new ATOM 0 HB VAL A 28 0.952 -1.192 5.133 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.226 -2.216 5.631 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -0.856 -0.881 6.748 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -2.015 -0.634 5.420 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -0.378 -2.170 3.312 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -1.141 -0.589 3.023 1.00 0.00 H new ATOM 0 HG23 VAL A 28 0.604 -0.799 2.746 1.00 0.00 H new ATOM 451 N SER A 29 1.296 0.748 7.094 1.00 0.00 N ATOM 452 CA SER A 29 1.485 1.088 8.500 1.00 0.00 C ATOM 453 C SER A 29 1.420 2.605 8.754 1.00 0.00 C ATOM 454 O SER A 29 0.881 3.035 9.775 1.00 0.00 O ATOM 455 CB SER A 29 2.821 0.543 8.996 1.00 0.00 C ATOM 456 OG SER A 29 3.905 1.353 8.584 1.00 0.00 O ATOM 0 H SER A 29 1.997 0.110 6.717 1.00 0.00 H new ATOM 0 HA SER A 29 0.665 0.628 9.052 1.00 0.00 H new ATOM 0 HB2 SER A 29 2.807 0.481 10.084 1.00 0.00 H new ATOM 0 HB3 SER A 29 2.962 -0.471 8.621 1.00 0.00 H new ATOM 0 HG SER A 29 4.669 1.206 9.180 1.00 0.00 H new ATOM 462 N THR A 30 1.941 3.420 7.833 1.00 0.00 N ATOM 463 CA THR A 30 1.897 4.868 8.001 1.00 0.00 C ATOM 464 C THR A 30 0.493 5.365 7.747 1.00 0.00 C ATOM 465 O THR A 30 -0.108 6.029 8.595 1.00 0.00 O ATOM 466 CB THR A 30 2.861 5.571 7.042 1.00 0.00 C ATOM 467 OG1 THR A 30 4.196 5.181 7.293 1.00 0.00 O ATOM 468 CG2 THR A 30 2.800 7.082 7.130 1.00 0.00 C ATOM 0 H THR A 30 2.392 3.104 6.975 1.00 0.00 H new ATOM 0 HA THR A 30 2.199 5.098 9.023 1.00 0.00 H new ATOM 0 HB THR A 30 2.543 5.268 6.044 1.00 0.00 H new ATOM 0 HG1 THR A 30 4.431 4.426 6.713 1.00 0.00 H new ATOM 0 HG21 THR A 30 3.508 7.516 6.424 1.00 0.00 H new ATOM 0 HG22 THR A 30 1.792 7.420 6.888 1.00 0.00 H new ATOM 0 HG23 THR A 30 3.056 7.398 8.141 1.00 0.00 H new ATOM 476 N THR A 31 -0.025 5.045 6.563 1.00 0.00 N ATOM 477 CA THR A 31 -1.359 5.471 6.195 1.00 0.00 C ATOM 478 C THR A 31 -2.382 4.998 7.229 1.00 0.00 C ATOM 479 O THR A 31 -3.261 5.759 7.646 1.00 0.00 O ATOM 480 CB THR A 31 -1.725 4.997 4.780 1.00 0.00 C ATOM 481 OG1 THR A 31 -2.517 5.972 4.113 1.00 0.00 O ATOM 482 CG2 THR A 31 -2.492 3.693 4.739 1.00 0.00 C ATOM 0 H THR A 31 0.460 4.497 5.852 1.00 0.00 H new ATOM 0 HA THR A 31 -1.376 6.561 6.184 1.00 0.00 H new ATOM 0 HB THR A 31 -0.766 4.843 4.286 1.00 0.00 H new ATOM 0 HG1 THR A 31 -3.170 5.524 3.535 1.00 0.00 H new ATOM 0 HG21 THR A 31 -2.710 3.431 3.704 1.00 0.00 H new ATOM 0 HG22 THR A 31 -1.893 2.904 5.194 1.00 0.00 H new ATOM 0 HG23 THR A 31 -3.426 3.803 5.290 1.00 0.00 H new ATOM 490 N MET A 32 -2.248 3.737 7.640 1.00 0.00 N ATOM 491 CA MET A 32 -3.140 3.143 8.628 1.00 0.00 C ATOM 492 C MET A 32 -3.234 3.998 9.891 1.00 0.00 C ATOM 493 O MET A 32 -4.326 4.240 10.388 1.00 0.00 O ATOM 494 CB MET A 32 -2.669 1.733 8.974 1.00 0.00 C ATOM 495 CG MET A 32 -2.666 0.800 7.778 1.00 0.00 C ATOM 496 SD MET A 32 -4.288 0.143 7.411 1.00 0.00 S ATOM 497 CE MET A 32 -3.868 -1.456 6.755 1.00 0.00 C ATOM 0 H MET A 32 -1.523 3.105 7.299 1.00 0.00 H new ATOM 0 HA MET A 32 -4.138 3.093 8.192 1.00 0.00 H new ATOM 0 HB2 MET A 32 -1.663 1.784 9.391 1.00 0.00 H new ATOM 0 HB3 MET A 32 -3.315 1.320 9.749 1.00 0.00 H new ATOM 0 HG2 MET A 32 -2.289 1.335 6.906 1.00 0.00 H new ATOM 0 HG3 MET A 32 -1.979 -0.025 7.967 1.00 0.00 H new ATOM 0 HE1 MET A 32 -4.589 -2.194 7.106 1.00 0.00 H new ATOM 0 HE2 MET A 32 -3.887 -1.419 5.666 1.00 0.00 H new ATOM 0 HE3 MET A 32 -2.870 -1.736 7.091 1.00 0.00 H new ATOM 507 N GLN A 33 -2.091 4.460 10.410 1.00 0.00 N ATOM 508 CA GLN A 33 -2.087 5.292 11.619 1.00 0.00 C ATOM 509 C GLN A 33 -2.900 6.569 11.403 1.00 0.00 C ATOM 510 O GLN A 33 -3.751 6.915 12.224 1.00 0.00 O ATOM 511 CB GLN A 33 -0.646 5.613 12.057 1.00 0.00 C ATOM 512 CG GLN A 33 -0.293 7.101 12.103 1.00 0.00 C ATOM 513 CD GLN A 33 0.692 7.443 13.208 1.00 0.00 C ATOM 514 OE1 GLN A 33 0.402 8.260 14.080 1.00 0.00 O ATOM 515 NE2 GLN A 33 1.864 6.823 13.180 1.00 0.00 N ATOM 0 H GLN A 33 -1.168 4.275 10.018 1.00 0.00 H new ATOM 0 HA GLN A 33 -2.561 4.729 12.423 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -0.481 5.187 13.046 1.00 0.00 H new ATOM 0 HB3 GLN A 33 0.043 5.114 11.376 1.00 0.00 H new ATOM 0 HG2 GLN A 33 0.129 7.399 11.143 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -1.205 7.681 12.244 1.00 0.00 H new ATOM 0 HE21 GLN A 33 2.068 6.151 12.440 1.00 0.00 H new ATOM 0 HE22 GLN A 33 2.561 7.018 13.898 1.00 0.00 H new ATOM 524 N ASN A 34 -2.653 7.249 10.286 1.00 0.00 N ATOM 525 CA ASN A 34 -3.388 8.470 9.963 1.00 0.00 C ATOM 526 C ASN A 34 -4.876 8.161 9.846 1.00 0.00 C ATOM 527 O ASN A 34 -5.702 8.806 10.500 1.00 0.00 O ATOM 528 CB ASN A 34 -2.859 9.090 8.664 1.00 0.00 C ATOM 529 CG ASN A 34 -1.872 10.215 8.897 1.00 0.00 C ATOM 530 OD1 ASN A 34 -1.836 10.823 9.967 1.00 0.00 O ATOM 531 ND2 ASN A 34 -1.056 10.496 7.890 1.00 0.00 N ATOM 0 H ASN A 34 -1.955 6.978 9.593 1.00 0.00 H new ATOM 0 HA ASN A 34 -3.242 9.193 10.765 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -2.380 8.314 8.067 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -3.699 9.468 8.081 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -0.365 11.240 7.986 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -1.119 9.968 7.020 1.00 0.00 H new ATOM 538 N GLU A 35 -5.212 7.153 9.037 1.00 0.00 N ATOM 539 CA GLU A 35 -6.606 6.746 8.872 1.00 0.00 C ATOM 540 C GLU A 35 -7.163 6.232 10.203 1.00 0.00 C ATOM 541 O GLU A 35 -8.329 6.453 10.513 1.00 0.00 O ATOM 542 CB GLU A 35 -6.745 5.685 7.775 1.00 0.00 C ATOM 543 CG GLU A 35 -7.323 6.237 6.475 1.00 0.00 C ATOM 544 CD GLU A 35 -8.820 6.022 6.347 1.00 0.00 C ATOM 545 OE1 GLU A 35 -9.584 6.755 7.007 1.00 0.00 O ATOM 546 OE2 GLU A 35 -9.228 5.125 5.578 1.00 0.00 O ATOM 0 H GLU A 35 -4.543 6.609 8.491 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.186 7.616 8.563 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -5.766 5.249 7.574 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -7.384 4.880 8.136 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -7.109 7.304 6.414 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.821 5.763 5.632 1.00 0.00 H new ATOM 553 N ALA A 36 -6.310 5.583 11.002 1.00 0.00 N ATOM 554 CA ALA A 36 -6.702 5.082 12.316 1.00 0.00 C ATOM 555 C ALA A 36 -6.993 6.251 13.252 1.00 0.00 C ATOM 556 O ALA A 36 -8.006 6.266 13.952 1.00 0.00 O ATOM 557 CB ALA A 36 -5.597 4.205 12.890 1.00 0.00 C ATOM 0 H ALA A 36 -5.338 5.393 10.756 1.00 0.00 H new ATOM 0 HA ALA A 36 -7.606 4.481 12.214 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -5.898 3.836 13.870 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -5.419 3.361 12.223 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.682 4.790 12.988 1.00 0.00 H new ATOM 563 N ARG A 37 -6.102 7.245 13.235 1.00 0.00 N ATOM 564 CA ARG A 37 -6.269 8.439 14.051 1.00 0.00 C ATOM 565 C ARG A 37 -7.558 9.133 13.691 1.00 0.00 C ATOM 566 O ARG A 37 -8.388 9.438 14.548 1.00 0.00 O ATOM 567 CB ARG A 37 -5.148 9.427 13.799 1.00 0.00 C ATOM 568 CG ARG A 37 -4.197 9.591 14.969 1.00 0.00 C ATOM 569 CD ARG A 37 -4.932 10.042 16.220 1.00 0.00 C ATOM 570 NE ARG A 37 -4.046 10.091 17.386 1.00 0.00 N ATOM 571 CZ ARG A 37 -3.174 11.063 17.625 1.00 0.00 C ATOM 572 NH1 ARG A 37 -3.039 12.067 16.780 1.00 0.00 N ATOM 573 NH2 ARG A 37 -2.433 11.024 18.713 1.00 0.00 N ATOM 0 H ARG A 37 -5.258 7.242 12.662 1.00 0.00 H new ATOM 0 HA ARG A 37 -6.268 8.123 15.094 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -4.581 9.103 12.926 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -5.580 10.398 13.556 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -3.690 8.646 15.163 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -3.427 10.319 14.715 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -5.365 11.028 16.051 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -5.759 9.361 16.421 1.00 0.00 H new ATOM 0 HE ARG A 37 -4.103 9.327 18.059 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -3.608 12.101 15.934 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -2.366 12.809 16.973 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -2.530 10.249 19.369 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -1.762 11.769 18.900 1.00 0.00 H new ATOM 587 N ARG A 38 -7.691 9.402 12.401 1.00 0.00 N ATOM 588 CA ARG A 38 -8.858 10.084 11.894 1.00 0.00 C ATOM 589 C ARG A 38 -10.109 9.201 12.010 1.00 0.00 C ATOM 590 O ARG A 38 -11.113 9.620 12.587 1.00 0.00 O ATOM 591 CB ARG A 38 -8.640 10.518 10.441 1.00 0.00 C ATOM 592 CG ARG A 38 -9.073 11.950 10.159 1.00 0.00 C ATOM 593 CD ARG A 38 -8.079 12.667 9.261 1.00 0.00 C ATOM 594 NE ARG A 38 -7.971 12.023 7.949 1.00 0.00 N ATOM 595 CZ ARG A 38 -8.666 12.375 6.872 1.00 0.00 C ATOM 596 NH1 ARG A 38 -9.540 13.359 6.925 1.00 0.00 N ATOM 597 NH2 ARG A 38 -8.496 11.727 5.739 1.00 0.00 N ATOM 0 H ARG A 38 -7.001 9.156 11.691 1.00 0.00 H new ATOM 0 HA ARG A 38 -9.017 10.975 12.502 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -7.584 10.412 10.194 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -9.190 9.845 9.784 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -10.055 11.948 9.687 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -9.173 12.493 11.099 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -8.387 13.705 9.133 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -7.100 12.682 9.741 1.00 0.00 H new ATOM 0 HE ARG A 38 -7.314 11.248 7.855 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -9.690 13.861 7.800 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -10.067 13.619 6.091 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -7.831 10.955 5.688 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -9.029 11.997 4.912 1.00 0.00 H new ATOM 1184 N LYS B 102 -5.063 -9.714 -10.855 1.00 0.00 N ATOM 1185 CA LYS B 102 -4.914 -9.445 -9.424 1.00 0.00 C ATOM 1186 C LYS B 102 -3.473 -9.652 -8.991 1.00 0.00 C ATOM 1187 O LYS B 102 -2.843 -10.647 -9.354 1.00 0.00 O ATOM 1188 CB LYS B 102 -5.807 -10.358 -8.578 1.00 0.00 C ATOM 1189 CG LYS B 102 -7.026 -9.662 -7.992 1.00 0.00 C ATOM 1190 CD LYS B 102 -7.930 -9.090 -9.072 1.00 0.00 C ATOM 1191 CE LYS B 102 -8.120 -7.589 -8.902 1.00 0.00 C ATOM 1192 NZ LYS B 102 -9.555 -7.201 -9.021 1.00 0.00 N ATOM 0 HA LYS B 102 -5.213 -8.409 -9.265 1.00 0.00 H new ATOM 0 HB2 LYS B 102 -6.140 -11.194 -9.193 1.00 0.00 H new ATOM 0 HB3 LYS B 102 -5.214 -10.776 -7.764 1.00 0.00 H new ATOM 0 HG2 LYS B 102 -7.590 -10.370 -7.384 1.00 0.00 H new ATOM 0 HG3 LYS B 102 -6.702 -8.860 -7.329 1.00 0.00 H new ATOM 0 HD2 LYS B 102 -7.501 -9.295 -10.053 1.00 0.00 H new ATOM 0 HD3 LYS B 102 -8.900 -9.587 -9.038 1.00 0.00 H new ATOM 0 HE2 LYS B 102 -7.739 -7.281 -7.928 1.00 0.00 H new ATOM 0 HE3 LYS B 102 -7.536 -7.060 -9.655 1.00 0.00 H new ATOM 0 HZ1 LYS B 102 -9.648 -6.172 -8.900 1.00 0.00 H new ATOM 0 HZ2 LYS B 102 -9.911 -7.473 -9.959 1.00 0.00 H new ATOM 0 HZ3 LYS B 102 -10.108 -7.687 -8.287 1.00 0.00 H new ATOM 1206 N GLN B 103 -2.966 -8.729 -8.194 1.00 0.00 N ATOM 1207 CA GLN B 103 -1.617 -8.833 -7.690 1.00 0.00 C ATOM 1208 C GLN B 103 -1.629 -8.730 -6.187 1.00 0.00 C ATOM 1209 O GLN B 103 -2.099 -7.740 -5.620 1.00 0.00 O ATOM 1210 CB GLN B 103 -0.703 -7.763 -8.292 1.00 0.00 C ATOM 1211 CG GLN B 103 0.662 -7.717 -7.624 1.00 0.00 C ATOM 1212 CD GLN B 103 1.780 -7.307 -8.561 1.00 0.00 C ATOM 1213 OE1 GLN B 103 1.575 -7.122 -9.757 1.00 0.00 O ATOM 1214 NE2 GLN B 103 2.978 -7.167 -8.018 1.00 0.00 N ATOM 0 H GLN B 103 -3.472 -7.900 -7.884 1.00 0.00 H new ATOM 0 HA GLN B 103 -1.218 -9.803 -7.985 1.00 0.00 H new ATOM 0 HB2 GLN B 103 -0.576 -7.956 -9.357 1.00 0.00 H new ATOM 0 HB3 GLN B 103 -1.182 -6.788 -8.200 1.00 0.00 H new ATOM 0 HG2 GLN B 103 0.625 -7.019 -6.788 1.00 0.00 H new ATOM 0 HG3 GLN B 103 0.888 -8.699 -7.209 1.00 0.00 H new ATOM 0 HE21 GLN B 103 3.108 -7.330 -7.019 1.00 0.00 H new ATOM 0 HE22 GLN B 103 3.772 -6.896 -8.598 1.00 0.00 H new ATOM 1223 N ARG B 104 -1.144 -9.771 -5.541 1.00 0.00 N ATOM 1224 CA ARG B 104 -1.135 -9.801 -4.109 1.00 0.00 C ATOM 1225 C ARG B 104 0.016 -8.998 -3.525 1.00 0.00 C ATOM 1226 O ARG B 104 1.186 -9.351 -3.685 1.00 0.00 O ATOM 1227 CB ARG B 104 -1.046 -11.231 -3.609 1.00 0.00 C ATOM 1228 CG ARG B 104 -1.825 -11.448 -2.338 1.00 0.00 C ATOM 1229 CD ARG B 104 -1.705 -12.882 -1.876 1.00 0.00 C ATOM 1230 NE ARG B 104 -2.690 -13.749 -2.521 1.00 0.00 N ATOM 1231 CZ ARG B 104 -4.002 -13.582 -2.428 1.00 0.00 C ATOM 1232 NH1 ARG B 104 -4.498 -12.616 -1.677 1.00 0.00 N ATOM 1233 NH2 ARG B 104 -4.814 -14.395 -3.074 1.00 0.00 N ATOM 0 H ARG B 104 -0.755 -10.600 -5.991 1.00 0.00 H new ATOM 0 HA ARG B 104 -2.069 -9.347 -3.779 1.00 0.00 H new ATOM 0 HB2 ARG B 104 -1.419 -11.906 -4.380 1.00 0.00 H new ATOM 0 HB3 ARG B 104 -0.001 -11.488 -3.439 1.00 0.00 H new ATOM 0 HG2 ARG B 104 -1.456 -10.778 -1.561 1.00 0.00 H new ATOM 0 HG3 ARG B 104 -2.874 -11.200 -2.502 1.00 0.00 H new ATOM 0 HD2 ARG B 104 -0.702 -13.250 -2.092 1.00 0.00 H new ATOM 0 HD3 ARG B 104 -1.835 -12.927 -0.795 1.00 0.00 H new ATOM 0 HE ARG B 104 -2.346 -14.532 -3.078 1.00 0.00 H new ATOM 0 HH11 ARG B 104 -3.871 -11.995 -1.166 1.00 0.00 H new ATOM 0 HH12 ARG B 104 -5.508 -12.491 -1.608 1.00 0.00 H new ATOM 0 HH21 ARG B 104 -4.433 -15.150 -3.644 1.00 0.00 H new ATOM 0 HH22 ARG B 104 -5.824 -14.269 -3.004 1.00 0.00 H new ATOM 1247 N ILE B 105 -0.333 -7.959 -2.794 1.00 0.00 N ATOM 1248 CA ILE B 105 0.649 -7.139 -2.106 1.00 0.00 C ATOM 1249 C ILE B 105 0.425 -7.348 -0.638 1.00 0.00 C ATOM 1250 O ILE B 105 -0.709 -7.271 -0.177 1.00 0.00 O ATOM 1251 CB ILE B 105 0.544 -5.632 -2.444 1.00 0.00 C ATOM 1252 CG1 ILE B 105 0.094 -4.798 -1.242 1.00 0.00 C ATOM 1253 CG2 ILE B 105 -0.402 -5.424 -3.590 1.00 0.00 C ATOM 1254 CD1 ILE B 105 1.192 -4.581 -0.247 1.00 0.00 C ATOM 0 H ILE B 105 -1.298 -7.659 -2.659 1.00 0.00 H new ATOM 0 HA ILE B 105 1.646 -7.440 -2.426 1.00 0.00 H new ATOM 0 HB ILE B 105 1.542 -5.294 -2.723 1.00 0.00 H new ATOM 0 HG12 ILE B 105 -0.271 -3.832 -1.591 1.00 0.00 H new ATOM 0 HG13 ILE B 105 -0.742 -5.296 -0.752 1.00 0.00 H new ATOM 0 HG21 ILE B 105 -0.468 -4.360 -3.819 1.00 0.00 H new ATOM 0 HG22 ILE B 105 -0.037 -5.962 -4.465 1.00 0.00 H new ATOM 0 HG23 ILE B 105 -1.389 -5.799 -3.320 1.00 0.00 H new ATOM 0 HD11 ILE B 105 0.817 -3.984 0.584 1.00 0.00 H new ATOM 0 HD12 ILE B 105 1.540 -5.544 0.126 1.00 0.00 H new ATOM 0 HD13 ILE B 105 2.019 -4.057 -0.726 1.00 0.00 H new ATOM 1266 N THR B 106 1.466 -7.646 0.096 1.00 0.00 N ATOM 1267 CA THR B 106 1.288 -7.889 1.505 1.00 0.00 C ATOM 1268 C THR B 106 2.246 -7.076 2.360 1.00 0.00 C ATOM 1269 O THR B 106 3.458 -7.094 2.155 1.00 0.00 O ATOM 1270 CB THR B 106 1.391 -9.397 1.813 1.00 0.00 C ATOM 1271 OG1 THR B 106 2.151 -9.620 2.983 1.00 0.00 O ATOM 1272 CG2 THR B 106 2.009 -10.230 0.700 1.00 0.00 C ATOM 0 H THR B 106 2.423 -7.725 -0.247 1.00 0.00 H new ATOM 0 HA THR B 106 0.285 -7.554 1.769 1.00 0.00 H new ATOM 0 HB THR B 106 0.356 -9.718 1.935 1.00 0.00 H new ATOM 0 HG1 THR B 106 1.647 -9.310 3.764 1.00 0.00 H new ATOM 0 HG21 THR B 106 2.041 -11.276 1.004 1.00 0.00 H new ATOM 0 HG22 THR B 106 1.408 -10.133 -0.204 1.00 0.00 H new ATOM 0 HG23 THR B 106 3.022 -9.878 0.502 1.00 0.00 H new ATOM 1280 N VAL B 107 1.686 -6.427 3.382 1.00 0.00 N ATOM 1281 CA VAL B 107 2.472 -5.689 4.350 1.00 0.00 C ATOM 1282 C VAL B 107 2.582 -6.578 5.578 1.00 0.00 C ATOM 1283 O VAL B 107 1.699 -6.571 6.437 1.00 0.00 O ATOM 1284 CB VAL B 107 1.867 -4.283 4.700 1.00 0.00 C ATOM 1285 CG1 VAL B 107 2.021 -3.916 6.196 1.00 0.00 C ATOM 1286 CG2 VAL B 107 2.508 -3.240 3.804 1.00 0.00 C ATOM 0 H VAL B 107 0.681 -6.403 3.554 1.00 0.00 H new ATOM 0 HA VAL B 107 3.453 -5.461 3.934 1.00 0.00 H new ATOM 0 HB VAL B 107 0.793 -4.317 4.519 1.00 0.00 H new ATOM 0 HG11 VAL B 107 1.584 -2.934 6.377 1.00 0.00 H new ATOM 0 HG12 VAL B 107 1.509 -4.659 6.807 1.00 0.00 H new ATOM 0 HG13 VAL B 107 3.079 -3.897 6.459 1.00 0.00 H new ATOM 0 HG21 VAL B 107 2.096 -2.258 4.037 1.00 0.00 H new ATOM 0 HG22 VAL B 107 3.585 -3.231 3.970 1.00 0.00 H new ATOM 0 HG23 VAL B 107 2.303 -3.481 2.761 1.00 0.00 H new ATOM 1296 N THR B 108 3.628 -7.397 5.642 1.00 0.00 N ATOM 1297 CA THR B 108 3.786 -8.307 6.762 1.00 0.00 C ATOM 1298 C THR B 108 4.101 -7.516 8.028 1.00 0.00 C ATOM 1299 O THR B 108 5.201 -7.565 8.576 1.00 0.00 O ATOM 1300 CB THR B 108 4.853 -9.348 6.447 1.00 0.00 C ATOM 1301 OG1 THR B 108 6.043 -8.753 5.967 1.00 0.00 O ATOM 1302 CG2 THR B 108 4.401 -10.346 5.428 1.00 0.00 C ATOM 0 H THR B 108 4.367 -7.447 4.940 1.00 0.00 H new ATOM 0 HA THR B 108 2.855 -8.846 6.935 1.00 0.00 H new ATOM 0 HB THR B 108 5.040 -9.856 7.393 1.00 0.00 H new ATOM 0 HG1 THR B 108 6.343 -8.067 6.599 1.00 0.00 H new ATOM 0 HG21 THR B 108 5.200 -11.063 5.242 1.00 0.00 H new ATOM 0 HG22 THR B 108 3.521 -10.871 5.799 1.00 0.00 H new ATOM 0 HG23 THR B 108 4.152 -9.831 4.500 1.00 0.00 H new ATOM 1310 N VAL B 109 3.095 -6.762 8.450 1.00 0.00 N ATOM 1311 CA VAL B 109 3.168 -5.897 9.614 1.00 0.00 C ATOM 1312 C VAL B 109 2.510 -6.571 10.833 1.00 0.00 C ATOM 1313 O VAL B 109 2.851 -7.701 11.147 1.00 0.00 O ATOM 1314 CB VAL B 109 2.514 -4.534 9.263 1.00 0.00 C ATOM 1315 CG1 VAL B 109 1.022 -4.683 8.947 1.00 0.00 C ATOM 1316 CG2 VAL B 109 2.753 -3.504 10.352 1.00 0.00 C ATOM 0 H VAL B 109 2.189 -6.736 7.982 1.00 0.00 H new ATOM 0 HA VAL B 109 4.208 -5.718 9.888 1.00 0.00 H new ATOM 0 HB VAL B 109 2.999 -4.169 8.357 1.00 0.00 H new ATOM 0 HG11 VAL B 109 0.602 -3.706 8.706 1.00 0.00 H new ATOM 0 HG12 VAL B 109 0.895 -5.352 8.096 1.00 0.00 H new ATOM 0 HG13 VAL B 109 0.506 -5.097 9.814 1.00 0.00 H new ATOM 0 HG21 VAL B 109 2.281 -2.562 10.072 1.00 0.00 H new ATOM 0 HG22 VAL B 109 2.325 -3.860 11.289 1.00 0.00 H new ATOM 0 HG23 VAL B 109 3.825 -3.349 10.478 1.00 0.00 H new ATOM 1326 N ASP B 110 1.611 -5.879 11.529 1.00 0.00 N ATOM 1327 CA ASP B 110 0.937 -6.399 12.711 1.00 0.00 C ATOM 1328 C ASP B 110 0.373 -5.215 13.464 1.00 0.00 C ATOM 1329 O ASP B 110 -0.792 -4.871 13.284 1.00 0.00 O ATOM 1330 CB ASP B 110 1.879 -7.222 13.612 1.00 0.00 C ATOM 1331 CG ASP B 110 1.313 -8.577 13.964 1.00 0.00 C ATOM 1332 OD1 ASP B 110 0.318 -8.628 14.711 1.00 0.00 O ATOM 1333 OD2 ASP B 110 1.885 -9.593 13.517 1.00 0.00 O ATOM 0 H ASP B 110 1.328 -4.930 11.283 1.00 0.00 H new ATOM 0 HA ASP B 110 0.146 -7.083 12.405 1.00 0.00 H new ATOM 0 HB2 ASP B 110 2.836 -7.353 13.107 1.00 0.00 H new ATOM 0 HB3 ASP B 110 2.076 -6.666 14.529 1.00 0.00 H new ATOM 1338 N SER B 111 1.193 -4.585 14.305 1.00 0.00 N ATOM 1339 CA SER B 111 0.752 -3.440 15.071 1.00 0.00 C ATOM 1340 C SER B 111 1.259 -2.120 14.493 1.00 0.00 C ATOM 1341 O SER B 111 1.117 -1.085 15.156 1.00 0.00 O ATOM 1342 CB SER B 111 1.210 -3.573 16.528 1.00 0.00 C ATOM 1343 OG SER B 111 0.777 -2.468 17.311 1.00 0.00 O ATOM 0 H SER B 111 2.163 -4.855 14.467 1.00 0.00 H new ATOM 0 HA SER B 111 -0.337 -3.423 15.022 1.00 0.00 H new ATOM 0 HB2 SER B 111 0.817 -4.497 16.952 1.00 0.00 H new ATOM 0 HB3 SER B 111 2.297 -3.643 16.564 1.00 0.00 H new ATOM 0 HG SER B 111 0.898 -1.639 16.802 1.00 0.00 H new ATOM 1349 N ASP B 112 1.833 -2.099 13.267 1.00 0.00 N ATOM 1350 CA ASP B 112 2.289 -0.831 12.730 1.00 0.00 C ATOM 1351 C ASP B 112 1.077 -0.084 12.185 1.00 0.00 C ATOM 1352 O ASP B 112 0.966 0.189 10.998 1.00 0.00 O ATOM 1353 CB ASP B 112 3.370 -1.056 11.666 1.00 0.00 C ATOM 1354 CG ASP B 112 4.476 -0.015 11.711 1.00 0.00 C ATOM 1355 OD1 ASP B 112 4.695 0.583 12.785 1.00 0.00 O ATOM 1356 OD2 ASP B 112 5.129 0.198 10.668 1.00 0.00 O ATOM 0 H ASP B 112 1.979 -2.912 12.669 1.00 0.00 H new ATOM 0 HA ASP B 112 2.751 -0.224 13.509 1.00 0.00 H new ATOM 0 HB2 ASP B 112 3.805 -2.046 11.802 1.00 0.00 H new ATOM 0 HB3 ASP B 112 2.908 -1.044 10.679 1.00 0.00 H new ATOM 1361 N SER B 113 0.141 0.205 13.088 1.00 0.00 N ATOM 1362 CA SER B 113 -1.110 0.894 12.749 1.00 0.00 C ATOM 1363 C SER B 113 -2.003 0.089 11.779 1.00 0.00 C ATOM 1364 O SER B 113 -3.213 0.317 11.737 1.00 0.00 O ATOM 1365 CB SER B 113 -0.809 2.270 12.168 1.00 0.00 C ATOM 1366 OG SER B 113 -0.168 3.087 13.132 1.00 0.00 O ATOM 0 H SER B 113 0.226 -0.031 14.077 1.00 0.00 H new ATOM 0 HA SER B 113 -1.672 0.998 13.677 1.00 0.00 H new ATOM 0 HB2 SER B 113 -0.173 2.169 11.288 1.00 0.00 H new ATOM 0 HB3 SER B 113 -1.735 2.743 11.840 1.00 0.00 H new ATOM 0 HG SER B 113 0.685 3.410 12.772 1.00 0.00 H new ATOM 1372 N TYR B 114 -1.418 -0.854 11.013 1.00 0.00 N ATOM 1373 CA TYR B 114 -2.176 -1.684 10.068 1.00 0.00 C ATOM 1374 C TYR B 114 -3.436 -2.243 10.725 1.00 0.00 C ATOM 1375 O TYR B 114 -4.553 -2.031 10.246 1.00 0.00 O ATOM 1376 CB TYR B 114 -1.320 -2.855 9.571 1.00 0.00 C ATOM 1377 CG TYR B 114 -2.117 -4.130 9.359 1.00 0.00 C ATOM 1378 CD1 TYR B 114 -2.924 -4.285 8.242 1.00 0.00 C ATOM 1379 CD2 TYR B 114 -2.080 -5.165 10.286 1.00 0.00 C ATOM 1380 CE1 TYR B 114 -3.664 -5.426 8.045 1.00 0.00 C ATOM 1381 CE2 TYR B 114 -2.821 -6.313 10.100 1.00 0.00 C ATOM 1382 CZ TYR B 114 -3.613 -6.441 8.975 1.00 0.00 C ATOM 1383 OH TYR B 114 -4.356 -7.583 8.782 1.00 0.00 O ATOM 0 H TYR B 114 -0.419 -1.057 11.034 1.00 0.00 H new ATOM 0 HA TYR B 114 -2.456 -1.050 9.227 1.00 0.00 H new ATOM 0 HB2 TYR B 114 -0.840 -2.574 8.634 1.00 0.00 H new ATOM 0 HB3 TYR B 114 -0.525 -3.047 10.291 1.00 0.00 H new ATOM 0 HD1 TYR B 114 -2.972 -3.492 7.511 1.00 0.00 H new ATOM 0 HD2 TYR B 114 -1.461 -5.069 11.166 1.00 0.00 H new ATOM 0 HE1 TYR B 114 -4.283 -5.527 7.165 1.00 0.00 H new ATOM 0 HE2 TYR B 114 -2.783 -7.108 10.830 1.00 0.00 H new ATOM 0 HH TYR B 114 -5.161 -7.366 8.266 1.00 0.00 H new ATOM 1393 N GLN B 115 -3.228 -3.006 11.802 1.00 0.00 N ATOM 1394 CA GLN B 115 -4.319 -3.657 12.512 1.00 0.00 C ATOM 1395 C GLN B 115 -5.490 -2.700 12.823 1.00 0.00 C ATOM 1396 O GLN B 115 -6.642 -3.103 12.739 1.00 0.00 O ATOM 1397 CB GLN B 115 -3.796 -4.255 13.818 1.00 0.00 C ATOM 1398 CG GLN B 115 -2.796 -3.359 14.528 1.00 0.00 C ATOM 1399 CD GLN B 115 -2.480 -3.832 15.934 1.00 0.00 C ATOM 1400 OE1 GLN B 115 -2.840 -3.187 16.911 1.00 0.00 O ATOM 1401 NE2 GLN B 115 -1.803 -4.964 16.042 1.00 0.00 N ATOM 0 H GLN B 115 -2.306 -3.185 12.199 1.00 0.00 H new ATOM 0 HA GLN B 115 -4.704 -4.438 11.856 1.00 0.00 H new ATOM 0 HB2 GLN B 115 -4.637 -4.449 14.484 1.00 0.00 H new ATOM 0 HB3 GLN B 115 -3.327 -5.216 13.608 1.00 0.00 H new ATOM 0 HG2 GLN B 115 -1.875 -3.319 13.947 1.00 0.00 H new ATOM 0 HG3 GLN B 115 -3.191 -2.344 14.571 1.00 0.00 H new ATOM 0 HE21 GLN B 115 -1.521 -5.472 15.203 1.00 0.00 H new ATOM 0 HE22 GLN B 115 -1.563 -5.329 16.964 1.00 0.00 H new ATOM 1410 N LEU B 116 -5.205 -1.446 13.188 1.00 0.00 N ATOM 1411 CA LEU B 116 -6.274 -0.476 13.507 1.00 0.00 C ATOM 1412 C LEU B 116 -7.271 -0.318 12.353 1.00 0.00 C ATOM 1413 O LEU B 116 -8.480 -0.249 12.569 1.00 0.00 O ATOM 1414 CB LEU B 116 -5.682 0.895 13.845 1.00 0.00 C ATOM 1415 CG LEU B 116 -5.955 1.385 15.270 1.00 0.00 C ATOM 1416 CD1 LEU B 116 -4.780 2.193 15.792 1.00 0.00 C ATOM 1417 CD2 LEU B 116 -7.231 2.212 15.316 1.00 0.00 C ATOM 0 H LEU B 116 -4.258 -1.076 13.271 1.00 0.00 H new ATOM 0 HA LEU B 116 -6.806 -0.872 14.372 1.00 0.00 H new ATOM 0 HB2 LEU B 116 -4.604 0.856 13.691 1.00 0.00 H new ATOM 0 HB3 LEU B 116 -6.078 1.628 13.143 1.00 0.00 H new ATOM 0 HG LEU B 116 -6.086 0.514 15.912 1.00 0.00 H new ATOM 0 HD11 LEU B 116 -4.993 2.532 16.806 1.00 0.00 H new ATOM 0 HD12 LEU B 116 -3.885 1.571 15.798 1.00 0.00 H new ATOM 0 HD13 LEU B 116 -4.617 3.057 15.147 1.00 0.00 H new ATOM 0 HD21 LEU B 116 -7.408 2.551 16.337 1.00 0.00 H new ATOM 0 HD22 LEU B 116 -7.129 3.076 14.659 1.00 0.00 H new ATOM 0 HD23 LEU B 116 -8.072 1.602 14.985 1.00 0.00 H new ATOM 1429 N LEU B 117 -6.745 -0.272 11.132 1.00 0.00 N ATOM 1430 CA LEU B 117 -7.590 -0.130 9.944 1.00 0.00 C ATOM 1431 C LEU B 117 -8.491 -1.342 9.768 1.00 0.00 C ATOM 1432 O LEU B 117 -9.692 -1.216 9.531 1.00 0.00 O ATOM 1433 CB LEU B 117 -6.751 0.074 8.699 1.00 0.00 C ATOM 1434 CG LEU B 117 -6.832 1.475 8.094 1.00 0.00 C ATOM 1435 CD1 LEU B 117 -8.230 1.745 7.569 1.00 0.00 C ATOM 1436 CD2 LEU B 117 -6.435 2.521 9.122 1.00 0.00 C ATOM 0 H LEU B 117 -5.746 -0.330 10.937 1.00 0.00 H new ATOM 0 HA LEU B 117 -8.214 0.751 10.091 1.00 0.00 H new ATOM 0 HB2 LEU B 117 -5.710 -0.143 8.940 1.00 0.00 H new ATOM 0 HB3 LEU B 117 -7.062 -0.650 7.946 1.00 0.00 H new ATOM 0 HG LEU B 117 -6.134 1.533 7.259 1.00 0.00 H new ATOM 0 HD11 LEU B 117 -8.271 2.747 7.141 1.00 0.00 H new ATOM 0 HD12 LEU B 117 -8.478 1.012 6.801 1.00 0.00 H new ATOM 0 HD13 LEU B 117 -8.947 1.670 8.387 1.00 0.00 H new ATOM 0 HD21 LEU B 117 -6.498 3.513 8.675 1.00 0.00 H new ATOM 0 HD22 LEU B 117 -7.109 2.465 9.977 1.00 0.00 H new ATOM 0 HD23 LEU B 117 -5.413 2.337 9.453 1.00 0.00 H new ATOM 1448 N LYS B 118 -7.907 -2.521 9.909 1.00 0.00 N ATOM 1449 CA LYS B 118 -8.660 -3.761 9.792 1.00 0.00 C ATOM 1450 C LYS B 118 -9.511 -3.976 11.036 1.00 0.00 C ATOM 1451 O LYS B 118 -10.557 -4.625 10.990 1.00 0.00 O ATOM 1452 CB LYS B 118 -7.713 -4.934 9.568 1.00 0.00 C ATOM 1453 CG LYS B 118 -6.601 -5.009 10.591 1.00 0.00 C ATOM 1454 CD LYS B 118 -6.180 -6.447 10.839 1.00 0.00 C ATOM 1455 CE LYS B 118 -6.001 -6.741 12.314 1.00 0.00 C ATOM 1456 NZ LYS B 118 -6.372 -8.149 12.632 1.00 0.00 N ATOM 0 H LYS B 118 -6.914 -2.646 10.105 1.00 0.00 H new ATOM 0 HA LYS B 118 -9.325 -3.693 8.931 1.00 0.00 H new ATOM 0 HB2 LYS B 118 -8.283 -5.862 9.593 1.00 0.00 H new ATOM 0 HB3 LYS B 118 -7.277 -4.855 8.572 1.00 0.00 H new ATOM 0 HG2 LYS B 118 -5.744 -4.431 10.244 1.00 0.00 H new ATOM 0 HG3 LYS B 118 -6.932 -4.558 11.526 1.00 0.00 H new ATOM 0 HD2 LYS B 118 -6.930 -7.121 10.424 1.00 0.00 H new ATOM 0 HD3 LYS B 118 -5.246 -6.647 10.314 1.00 0.00 H new ATOM 0 HE2 LYS B 118 -4.965 -6.562 12.600 1.00 0.00 H new ATOM 0 HE3 LYS B 118 -6.616 -6.059 12.901 1.00 0.00 H new ATOM 0 HZ1 LYS B 118 -6.239 -8.322 13.649 1.00 0.00 H new ATOM 0 HZ2 LYS B 118 -7.368 -8.311 12.380 1.00 0.00 H new ATOM 0 HZ3 LYS B 118 -5.768 -8.798 12.089 1.00 0.00 H new ATOM 1470 N ALA B 119 -9.052 -3.394 12.135 1.00 0.00 N ATOM 1471 CA ALA B 119 -9.746 -3.468 13.412 1.00 0.00 C ATOM 1472 C ALA B 119 -11.086 -2.745 13.335 1.00 0.00 C ATOM 1473 O ALA B 119 -12.058 -3.168 13.960 1.00 0.00 O ATOM 1474 CB ALA B 119 -8.883 -2.884 14.523 1.00 0.00 C ATOM 0 H ALA B 119 -8.186 -2.856 12.166 1.00 0.00 H new ATOM 0 HA ALA B 119 -9.936 -4.517 13.641 1.00 0.00 H new ATOM 0 HB1 ALA B 119 -9.418 -2.948 15.471 1.00 0.00 H new ATOM 0 HB2 ALA B 119 -7.952 -3.446 14.594 1.00 0.00 H new ATOM 0 HB3 ALA B 119 -8.661 -1.840 14.301 1.00 0.00 H new ATOM 1480 N TYR B 120 -11.139 -1.658 12.554 1.00 0.00 N ATOM 1481 CA TYR B 120 -12.374 -0.913 12.401 1.00 0.00 C ATOM 1482 C TYR B 120 -13.216 -1.488 11.247 1.00 0.00 C ATOM 1483 O TYR B 120 -14.443 -1.417 11.312 1.00 0.00 O ATOM 1484 CB TYR B 120 -12.108 0.614 12.332 1.00 0.00 C ATOM 1485 CG TYR B 120 -11.869 1.240 10.973 1.00 0.00 C ATOM 1486 CD1 TYR B 120 -12.759 1.069 9.924 1.00 0.00 C ATOM 1487 CD2 TYR B 120 -10.755 2.053 10.760 1.00 0.00 C ATOM 1488 CE1 TYR B 120 -12.542 1.674 8.703 1.00 0.00 C ATOM 1489 CE2 TYR B 120 -10.533 2.656 9.543 1.00 0.00 C ATOM 1490 CZ TYR B 120 -11.426 2.461 8.513 1.00 0.00 C ATOM 1491 OH TYR B 120 -11.213 3.065 7.294 1.00 0.00 O ATOM 0 H TYR B 120 -10.347 -1.287 12.029 1.00 0.00 H new ATOM 0 HA TYR B 120 -12.990 -1.039 13.291 1.00 0.00 H new ATOM 0 HB2 TYR B 120 -12.959 1.121 12.787 1.00 0.00 H new ATOM 0 HB3 TYR B 120 -11.239 0.829 12.955 1.00 0.00 H new ATOM 0 HD1 TYR B 120 -13.635 0.453 10.064 1.00 0.00 H new ATOM 0 HD2 TYR B 120 -10.054 2.212 11.566 1.00 0.00 H new ATOM 0 HE1 TYR B 120 -13.246 1.531 7.897 1.00 0.00 H new ATOM 0 HE2 TYR B 120 -9.663 3.279 9.397 1.00 0.00 H new ATOM 0 HH TYR B 120 -10.383 3.585 7.327 1.00 0.00 H new ATOM 1501 N ASP B 121 -12.548 -2.127 10.245 1.00 0.00 N ATOM 1502 CA ASP B 121 -13.219 -2.818 9.113 1.00 0.00 C ATOM 1503 C ASP B 121 -12.758 -2.324 7.739 1.00 0.00 C ATOM 1504 O ASP B 121 -13.557 -1.805 6.957 1.00 0.00 O ATOM 1505 CB ASP B 121 -14.749 -2.743 9.207 1.00 0.00 C ATOM 1506 CG ASP B 121 -15.441 -3.646 8.203 1.00 0.00 C ATOM 1507 OD1 ASP B 121 -15.090 -4.843 8.139 1.00 0.00 O ATOM 1508 OD2 ASP B 121 -16.332 -3.154 7.479 1.00 0.00 O ATOM 0 H ASP B 121 -11.530 -2.176 10.202 1.00 0.00 H new ATOM 0 HA ASP B 121 -12.914 -3.860 9.206 1.00 0.00 H new ATOM 0 HB2 ASP B 121 -15.061 -3.019 10.214 1.00 0.00 H new ATOM 0 HB3 ASP B 121 -15.069 -1.714 9.045 1.00 0.00 H new ATOM 1513 N VAL B 122 -11.468 -2.482 7.444 1.00 0.00 N ATOM 1514 CA VAL B 122 -10.928 -2.036 6.157 1.00 0.00 C ATOM 1515 C VAL B 122 -9.664 -2.770 5.748 1.00 0.00 C ATOM 1516 O VAL B 122 -9.535 -3.160 4.583 1.00 0.00 O ATOM 1517 CB VAL B 122 -10.651 -0.519 6.186 1.00 0.00 C ATOM 1518 CG1 VAL B 122 -9.737 -0.091 5.047 1.00 0.00 C ATOM 1519 CG2 VAL B 122 -11.959 0.243 6.131 1.00 0.00 C ATOM 0 H VAL B 122 -10.784 -2.909 8.068 1.00 0.00 H new ATOM 0 HA VAL B 122 -11.691 -2.268 5.413 1.00 0.00 H new ATOM 0 HB VAL B 122 -10.137 -0.288 7.119 1.00 0.00 H new ATOM 0 HG11 VAL B 122 -9.566 0.984 5.102 1.00 0.00 H new ATOM 0 HG12 VAL B 122 -8.785 -0.615 5.128 1.00 0.00 H new ATOM 0 HG13 VAL B 122 -10.205 -0.335 4.093 1.00 0.00 H new ATOM 0 HG21 VAL B 122 -11.757 1.314 6.152 1.00 0.00 H new ATOM 0 HG22 VAL B 122 -12.488 -0.009 5.212 1.00 0.00 H new ATOM 0 HG23 VAL B 122 -12.574 -0.027 6.990 1.00 0.00 H new ATOM 1529 N ASN B 123 -8.694 -2.899 6.655 1.00 0.00 N ATOM 1530 CA ASN B 123 -7.424 -3.514 6.305 1.00 0.00 C ATOM 1531 C ASN B 123 -6.735 -2.541 5.349 1.00 0.00 C ATOM 1532 O ASN B 123 -6.392 -1.426 5.746 1.00 0.00 O ATOM 1533 CB ASN B 123 -7.618 -4.917 5.677 1.00 0.00 C ATOM 1534 CG ASN B 123 -7.584 -6.039 6.701 1.00 0.00 C ATOM 1535 OD1 ASN B 123 -6.529 -6.362 7.251 1.00 0.00 O ATOM 1536 ND2 ASN B 123 -8.733 -6.646 6.956 1.00 0.00 N ATOM 0 H ASN B 123 -8.767 -2.589 7.624 1.00 0.00 H new ATOM 0 HA ASN B 123 -6.811 -3.687 7.189 1.00 0.00 H new ATOM 0 HB2 ASN B 123 -8.571 -4.944 5.150 1.00 0.00 H new ATOM 0 HB3 ASN B 123 -6.838 -5.087 4.935 1.00 0.00 H new ATOM 0 HD21 ASN B 123 -8.767 -7.411 7.629 1.00 0.00 H new ATOM 0 HD22 ASN B 123 -9.584 -6.348 6.479 1.00 0.00 H new ATOM 1543 N ILE B 124 -6.574 -2.913 4.092 1.00 0.00 N ATOM 1544 CA ILE B 124 -5.966 -1.997 3.131 1.00 0.00 C ATOM 1545 C ILE B 124 -6.455 -2.182 1.702 1.00 0.00 C ATOM 1546 O ILE B 124 -5.963 -1.500 0.804 1.00 0.00 O ATOM 1547 CB ILE B 124 -4.427 -2.041 3.121 1.00 0.00 C ATOM 1548 CG1 ILE B 124 -3.904 -3.174 3.985 1.00 0.00 C ATOM 1549 CG2 ILE B 124 -3.859 -0.710 3.586 1.00 0.00 C ATOM 1550 CD1 ILE B 124 -4.498 -4.500 3.602 1.00 0.00 C ATOM 0 H ILE B 124 -6.847 -3.820 3.714 1.00 0.00 H new ATOM 0 HA ILE B 124 -6.294 -1.022 3.491 1.00 0.00 H new ATOM 0 HB ILE B 124 -4.100 -2.224 2.097 1.00 0.00 H new ATOM 0 HG12 ILE B 124 -2.819 -3.225 3.897 1.00 0.00 H new ATOM 0 HG13 ILE B 124 -4.129 -2.965 5.031 1.00 0.00 H new ATOM 0 HG21 ILE B 124 -2.770 -0.755 3.574 1.00 0.00 H new ATOM 0 HG22 ILE B 124 -4.197 0.083 2.919 1.00 0.00 H new ATOM 0 HG23 ILE B 124 -4.202 -0.502 4.599 1.00 0.00 H new ATOM 0 HD11 ILE B 124 -4.094 -5.280 4.248 1.00 0.00 H new ATOM 0 HD12 ILE B 124 -5.581 -4.460 3.716 1.00 0.00 H new ATOM 0 HD13 ILE B 124 -4.250 -4.724 2.564 1.00 0.00 H new ATOM 1562 N SER B 125 -7.388 -3.109 1.477 1.00 0.00 N ATOM 1563 CA SER B 125 -7.875 -3.359 0.118 1.00 0.00 C ATOM 1564 C SER B 125 -8.027 -2.030 -0.632 1.00 0.00 C ATOM 1565 O SER B 125 -7.312 -1.765 -1.608 1.00 0.00 O ATOM 1566 CB SER B 125 -9.201 -4.123 0.145 1.00 0.00 C ATOM 1567 OG SER B 125 -9.103 -5.336 -0.586 1.00 0.00 O ATOM 0 H SER B 125 -7.814 -3.688 2.200 1.00 0.00 H new ATOM 0 HA SER B 125 -7.147 -3.978 -0.407 1.00 0.00 H new ATOM 0 HB2 SER B 125 -9.481 -4.337 1.176 1.00 0.00 H new ATOM 0 HB3 SER B 125 -9.991 -3.502 -0.277 1.00 0.00 H new ATOM 0 HG SER B 125 -9.961 -5.808 -0.553 1.00 0.00 H new ATOM 1573 N GLY B 126 -8.926 -1.176 -0.138 1.00 0.00 N ATOM 1574 CA GLY B 126 -9.124 0.133 -0.738 1.00 0.00 C ATOM 1575 C GLY B 126 -8.174 1.175 -0.164 1.00 0.00 C ATOM 1576 O GLY B 126 -7.780 2.111 -0.862 1.00 0.00 O ATOM 0 H GLY B 126 -9.520 -1.370 0.668 1.00 0.00 H new ATOM 0 HA2 GLY B 126 -8.977 0.063 -1.816 1.00 0.00 H new ATOM 0 HA3 GLY B 126 -10.153 0.453 -0.577 1.00 0.00 H new ATOM 1580 N LEU B 127 -7.786 0.999 1.110 1.00 0.00 N ATOM 1581 CA LEU B 127 -6.863 1.920 1.768 1.00 0.00 C ATOM 1582 C LEU B 127 -5.574 2.027 0.983 1.00 0.00 C ATOM 1583 O LEU B 127 -5.235 3.098 0.497 1.00 0.00 O ATOM 1584 CB LEU B 127 -6.524 1.448 3.173 1.00 0.00 C ATOM 1585 CG LEU B 127 -5.936 2.522 4.074 1.00 0.00 C ATOM 1586 CD1 LEU B 127 -7.033 3.422 4.607 1.00 0.00 C ATOM 1587 CD2 LEU B 127 -5.155 1.879 5.206 1.00 0.00 C ATOM 0 H LEU B 127 -8.100 0.227 1.698 1.00 0.00 H new ATOM 0 HA LEU B 127 -7.357 2.890 1.818 1.00 0.00 H new ATOM 0 HB2 LEU B 127 -7.428 1.056 3.639 1.00 0.00 H new ATOM 0 HB3 LEU B 127 -5.816 0.622 3.104 1.00 0.00 H new ATOM 0 HG LEU B 127 -5.250 3.139 3.493 1.00 0.00 H new ATOM 0 HD11 LEU B 127 -6.596 4.186 5.250 1.00 0.00 H new ATOM 0 HD12 LEU B 127 -7.548 3.900 3.774 1.00 0.00 H new ATOM 0 HD13 LEU B 127 -7.745 2.828 5.181 1.00 0.00 H new ATOM 0 HD21 LEU B 127 -4.737 2.655 5.847 1.00 0.00 H new ATOM 0 HD22 LEU B 127 -5.820 1.244 5.792 1.00 0.00 H new ATOM 0 HD23 LEU B 127 -4.347 1.275 4.793 1.00 0.00 H new ATOM 1599 N VAL B 128 -4.870 0.900 0.846 1.00 0.00 N ATOM 1600 CA VAL B 128 -3.627 0.876 0.090 1.00 0.00 C ATOM 1601 C VAL B 128 -3.858 1.559 -1.249 1.00 0.00 C ATOM 1602 O VAL B 128 -3.241 2.558 -1.541 1.00 0.00 O ATOM 1603 CB VAL B 128 -3.101 -0.564 -0.104 1.00 0.00 C ATOM 1604 CG1 VAL B 128 -2.300 -0.700 -1.388 1.00 0.00 C ATOM 1605 CG2 VAL B 128 -2.259 -0.963 1.093 1.00 0.00 C ATOM 0 H VAL B 128 -5.141 0.002 1.247 1.00 0.00 H new ATOM 0 HA VAL B 128 -2.861 1.413 0.650 1.00 0.00 H new ATOM 0 HB VAL B 128 -3.958 -1.233 -0.184 1.00 0.00 H new ATOM 0 HG11 VAL B 128 -1.947 -1.726 -1.490 1.00 0.00 H new ATOM 0 HG12 VAL B 128 -2.932 -0.448 -2.240 1.00 0.00 H new ATOM 0 HG13 VAL B 128 -1.446 -0.024 -1.357 1.00 0.00 H new ATOM 0 HG21 VAL B 128 -1.889 -1.979 0.955 1.00 0.00 H new ATOM 0 HG22 VAL B 128 -1.416 -0.279 1.189 1.00 0.00 H new ATOM 0 HG23 VAL B 128 -2.867 -0.918 1.997 1.00 0.00 H new ATOM 1615 N SER B 129 -4.780 1.021 -2.033 1.00 0.00 N ATOM 1616 CA SER B 129 -5.133 1.576 -3.336 1.00 0.00 C ATOM 1617 C SER B 129 -5.401 3.088 -3.292 1.00 0.00 C ATOM 1618 O SER B 129 -4.885 3.831 -4.132 1.00 0.00 O ATOM 1619 CB SER B 129 -6.391 0.870 -3.845 1.00 0.00 C ATOM 1620 OG SER B 129 -7.102 1.680 -4.767 1.00 0.00 O ATOM 0 H SER B 129 -5.308 0.184 -1.785 1.00 0.00 H new ATOM 0 HA SER B 129 -4.283 1.416 -3.999 1.00 0.00 H new ATOM 0 HB2 SER B 129 -6.114 -0.070 -4.322 1.00 0.00 H new ATOM 0 HB3 SER B 129 -7.037 0.622 -3.003 1.00 0.00 H new ATOM 0 HG SER B 129 -8.065 1.591 -4.606 1.00 0.00 H new ATOM 1626 N THR B 130 -6.185 3.549 -2.316 1.00 0.00 N ATOM 1627 CA THR B 130 -6.481 4.970 -2.195 1.00 0.00 C ATOM 1628 C THR B 130 -5.224 5.698 -1.785 1.00 0.00 C ATOM 1629 O THR B 130 -4.816 6.675 -2.415 1.00 0.00 O ATOM 1630 CB THR B 130 -7.595 5.210 -1.169 1.00 0.00 C ATOM 1631 OG1 THR B 130 -8.857 5.263 -1.808 1.00 0.00 O ATOM 1632 CG2 THR B 130 -7.432 6.496 -0.380 1.00 0.00 C ATOM 0 H THR B 130 -6.621 2.962 -1.605 1.00 0.00 H new ATOM 0 HA THR B 130 -6.828 5.348 -3.157 1.00 0.00 H new ATOM 0 HB THR B 130 -7.529 4.371 -0.477 1.00 0.00 H new ATOM 0 HG1 THR B 130 -9.556 5.415 -1.139 1.00 0.00 H new ATOM 0 HG21 THR B 130 -8.257 6.597 0.325 1.00 0.00 H new ATOM 0 HG22 THR B 130 -6.489 6.471 0.166 1.00 0.00 H new ATOM 0 HG23 THR B 130 -7.433 7.345 -1.064 1.00 0.00 H new ATOM 1640 N THR B 131 -4.605 5.201 -0.726 1.00 0.00 N ATOM 1641 CA THR B 131 -3.386 5.787 -0.229 1.00 0.00 C ATOM 1642 C THR B 131 -2.301 5.758 -1.301 1.00 0.00 C ATOM 1643 O THR B 131 -1.488 6.675 -1.411 1.00 0.00 O ATOM 1644 CB THR B 131 -2.873 5.067 1.013 1.00 0.00 C ATOM 1645 OG1 THR B 131 -3.727 5.286 2.123 1.00 0.00 O ATOM 1646 CG2 THR B 131 -1.492 5.531 1.390 1.00 0.00 C ATOM 0 H THR B 131 -4.933 4.392 -0.198 1.00 0.00 H new ATOM 0 HA THR B 131 -3.618 6.818 0.038 1.00 0.00 H new ATOM 0 HB THR B 131 -2.849 4.006 0.765 1.00 0.00 H new ATOM 0 HG1 THR B 131 -4.512 4.704 2.051 1.00 0.00 H new ATOM 0 HG21 THR B 131 -1.159 4.996 2.279 1.00 0.00 H new ATOM 0 HG22 THR B 131 -0.804 5.332 0.568 1.00 0.00 H new ATOM 0 HG23 THR B 131 -1.511 6.601 1.596 1.00 0.00 H new ATOM 1654 N MET B 132 -2.298 4.687 -2.089 1.00 0.00 N ATOM 1655 CA MET B 132 -1.325 4.506 -3.144 1.00 0.00 C ATOM 1656 C MET B 132 -1.447 5.584 -4.189 1.00 0.00 C ATOM 1657 O MET B 132 -0.498 6.289 -4.431 1.00 0.00 O ATOM 1658 CB MET B 132 -1.476 3.126 -3.795 1.00 0.00 C ATOM 1659 CG MET B 132 -1.114 1.970 -2.875 1.00 0.00 C ATOM 1660 SD MET B 132 0.469 1.233 -3.301 1.00 0.00 S ATOM 1661 CE MET B 132 0.748 0.131 -1.936 1.00 0.00 C ATOM 0 H MET B 132 -2.972 3.925 -2.009 1.00 0.00 H new ATOM 0 HA MET B 132 -0.335 4.575 -2.692 1.00 0.00 H new ATOM 0 HB2 MET B 132 -2.506 3.003 -4.129 1.00 0.00 H new ATOM 0 HB3 MET B 132 -0.845 3.083 -4.683 1.00 0.00 H new ATOM 0 HG2 MET B 132 -1.082 2.324 -1.845 1.00 0.00 H new ATOM 0 HG3 MET B 132 -1.893 1.209 -2.927 1.00 0.00 H new ATOM 0 HE1 MET B 132 1.815 0.082 -1.721 1.00 0.00 H new ATOM 0 HE2 MET B 132 0.217 0.498 -1.058 1.00 0.00 H new ATOM 0 HE3 MET B 132 0.383 -0.864 -2.191 1.00 0.00 H new ATOM 1671 N GLN B 133 -2.612 5.723 -4.799 1.00 0.00 N ATOM 1672 CA GLN B 133 -2.807 6.748 -5.822 1.00 0.00 C ATOM 1673 C GLN B 133 -2.437 8.136 -5.302 1.00 0.00 C ATOM 1674 O GLN B 133 -1.927 8.966 -6.054 1.00 0.00 O ATOM 1675 CB GLN B 133 -4.245 6.709 -6.312 1.00 0.00 C ATOM 1676 CG GLN B 133 -4.608 7.823 -7.285 1.00 0.00 C ATOM 1677 CD GLN B 133 -5.733 8.700 -6.773 1.00 0.00 C ATOM 1678 OE1 GLN B 133 -6.897 8.307 -6.792 1.00 0.00 O ATOM 1679 NE2 GLN B 133 -5.393 9.894 -6.311 1.00 0.00 N ATOM 0 H GLN B 133 -3.432 5.147 -4.609 1.00 0.00 H new ATOM 0 HA GLN B 133 -2.142 6.536 -6.659 1.00 0.00 H new ATOM 0 HB2 GLN B 133 -4.426 5.748 -6.794 1.00 0.00 H new ATOM 0 HB3 GLN B 133 -4.911 6.764 -5.451 1.00 0.00 H new ATOM 0 HG2 GLN B 133 -3.728 8.439 -7.471 1.00 0.00 H new ATOM 0 HG3 GLN B 133 -4.899 7.386 -8.240 1.00 0.00 H new ATOM 0 HE21 GLN B 133 -4.414 10.182 -6.313 1.00 0.00 H new ATOM 0 HE22 GLN B 133 -6.110 10.525 -5.953 1.00 0.00 H new ATOM 1688 N ASN B 134 -2.670 8.378 -4.015 1.00 0.00 N ATOM 1689 CA ASN B 134 -2.329 9.665 -3.411 1.00 0.00 C ATOM 1690 C ASN B 134 -0.816 9.768 -3.199 1.00 0.00 C ATOM 1691 O ASN B 134 -0.182 10.718 -3.667 1.00 0.00 O ATOM 1692 CB ASN B 134 -3.104 9.843 -2.093 1.00 0.00 C ATOM 1693 CG ASN B 134 -2.256 10.363 -0.949 1.00 0.00 C ATOM 1694 OD1 ASN B 134 -1.711 11.460 -1.016 1.00 0.00 O ATOM 1695 ND2 ASN B 134 -2.160 9.582 0.115 1.00 0.00 N ATOM 0 H ASN B 134 -3.090 7.706 -3.373 1.00 0.00 H new ATOM 0 HA ASN B 134 -2.620 10.472 -4.084 1.00 0.00 H new ATOM 0 HB2 ASN B 134 -3.933 10.531 -2.260 1.00 0.00 H new ATOM 0 HB3 ASN B 134 -3.537 8.885 -1.805 1.00 0.00 H new ATOM 0 HD21 ASN B 134 -1.616 9.885 0.923 1.00 0.00 H new ATOM 0 HD22 ASN B 134 -2.630 8.677 0.127 1.00 0.00 H new ATOM 1702 N GLU B 135 -0.236 8.764 -2.540 1.00 0.00 N ATOM 1703 CA GLU B 135 1.210 8.730 -2.311 1.00 0.00 C ATOM 1704 C GLU B 135 1.952 8.448 -3.624 1.00 0.00 C ATOM 1705 O GLU B 135 3.131 8.758 -3.763 1.00 0.00 O ATOM 1706 CB GLU B 135 1.563 7.666 -1.263 1.00 0.00 C ATOM 1707 CG GLU B 135 0.889 7.883 0.092 1.00 0.00 C ATOM 1708 CD GLU B 135 1.328 9.157 0.799 1.00 0.00 C ATOM 1709 OE1 GLU B 135 2.423 9.671 0.487 1.00 0.00 O ATOM 1710 OE2 GLU B 135 0.571 9.633 1.674 1.00 0.00 O ATOM 0 H GLU B 135 -0.743 7.966 -2.156 1.00 0.00 H new ATOM 0 HA GLU B 135 1.522 9.704 -1.935 1.00 0.00 H new ATOM 0 HB2 GLU B 135 1.280 6.685 -1.646 1.00 0.00 H new ATOM 0 HB3 GLU B 135 2.644 7.653 -1.122 1.00 0.00 H new ATOM 0 HG2 GLU B 135 -0.191 7.911 -0.050 1.00 0.00 H new ATOM 0 HG3 GLU B 135 1.103 7.029 0.735 1.00 0.00 H new ATOM 1717 N ALA B 136 1.234 7.870 -4.589 1.00 0.00 N ATOM 1718 CA ALA B 136 1.779 7.547 -5.904 1.00 0.00 C ATOM 1719 C ALA B 136 1.791 8.776 -6.802 1.00 0.00 C ATOM 1720 O ALA B 136 2.656 8.920 -7.661 1.00 0.00 O ATOM 1721 CB ALA B 136 0.948 6.451 -6.554 1.00 0.00 C ATOM 0 H ALA B 136 0.253 7.613 -4.477 1.00 0.00 H new ATOM 0 HA ALA B 136 2.804 7.200 -5.773 1.00 0.00 H new ATOM 0 HB1 ALA B 136 1.360 6.215 -7.535 1.00 0.00 H new ATOM 0 HB2 ALA B 136 0.968 5.559 -5.928 1.00 0.00 H new ATOM 0 HB3 ALA B 136 -0.081 6.792 -6.666 1.00 0.00 H new ATOM 1727 N ARG B 137 0.812 9.655 -6.599 1.00 0.00 N ATOM 1728 CA ARG B 137 0.710 10.878 -7.380 1.00 0.00 C ATOM 1729 C ARG B 137 1.655 11.925 -6.854 1.00 0.00 C ATOM 1730 O ARG B 137 2.423 12.534 -7.600 1.00 0.00 O ATOM 1731 CB ARG B 137 -0.684 11.463 -7.289 1.00 0.00 C ATOM 1732 CG ARG B 137 -1.468 11.371 -8.580 1.00 0.00 C ATOM 1733 CD ARG B 137 -0.830 12.212 -9.673 1.00 0.00 C ATOM 1734 NE ARG B 137 -0.194 11.388 -10.704 1.00 0.00 N ATOM 1735 CZ ARG B 137 0.446 11.875 -11.763 1.00 0.00 C ATOM 1736 NH1 ARG B 137 0.537 13.180 -11.953 1.00 0.00 N ATOM 1737 NH2 ARG B 137 0.996 11.051 -12.631 1.00 0.00 N ATOM 0 H ARG B 137 0.079 9.540 -5.899 1.00 0.00 H new ATOM 0 HA ARG B 137 0.952 10.616 -8.410 1.00 0.00 H new ATOM 0 HB2 ARG B 137 -1.234 10.947 -6.502 1.00 0.00 H new ATOM 0 HB3 ARG B 137 -0.611 12.509 -6.993 1.00 0.00 H new ATOM 0 HG2 ARG B 137 -1.521 10.331 -8.902 1.00 0.00 H new ATOM 0 HG3 ARG B 137 -2.492 11.705 -8.411 1.00 0.00 H new ATOM 0 HD2 ARG B 137 -1.590 12.844 -10.133 1.00 0.00 H new ATOM 0 HD3 ARG B 137 -0.087 12.876 -9.231 1.00 0.00 H new ATOM 0 HE ARG B 137 -0.246 10.374 -10.603 1.00 0.00 H new ATOM 0 HH11 ARG B 137 0.114 13.823 -11.284 1.00 0.00 H new ATOM 0 HH12 ARG B 137 1.030 13.543 -12.769 1.00 0.00 H new ATOM 0 HH21 ARG B 137 0.930 10.043 -12.490 1.00 0.00 H new ATOM 0 HH22 ARG B 137 1.488 11.421 -13.445 1.00 0.00 H new ATOM 1751 N ARG B 138 1.546 12.160 -5.557 1.00 0.00 N ATOM 1752 CA ARG B 138 2.349 13.174 -4.913 1.00 0.00 C ATOM 1753 C ARG B 138 3.789 12.705 -4.637 1.00 0.00 C ATOM 1754 O ARG B 138 4.720 13.502 -4.731 1.00 0.00 O ATOM 1755 CB ARG B 138 1.693 13.647 -3.611 1.00 0.00 C ATOM 1756 CG ARG B 138 0.208 13.944 -3.745 1.00 0.00 C ATOM 1757 CD ARG B 138 -0.056 15.234 -4.514 1.00 0.00 C ATOM 1758 NE ARG B 138 0.133 16.438 -3.691 1.00 0.00 N ATOM 1759 CZ ARG B 138 -0.641 16.792 -2.669 1.00 0.00 C ATOM 1760 NH1 ARG B 138 -1.653 16.037 -2.285 1.00 0.00 N ATOM 1761 NH2 ARG B 138 -0.393 17.914 -2.031 1.00 0.00 N ATOM 0 H ARG B 138 0.910 11.662 -4.935 1.00 0.00 H new ATOM 0 HA ARG B 138 2.407 14.009 -5.611 1.00 0.00 H new ATOM 0 HB2 ARG B 138 1.834 12.884 -2.846 1.00 0.00 H new ATOM 0 HB3 ARG B 138 2.204 14.545 -3.263 1.00 0.00 H new ATOM 0 HG2 ARG B 138 -0.282 13.114 -4.253 1.00 0.00 H new ATOM 0 HG3 ARG B 138 -0.237 14.017 -2.753 1.00 0.00 H new ATOM 0 HD2 ARG B 138 0.610 15.280 -5.376 1.00 0.00 H new ATOM 0 HD3 ARG B 138 -1.075 15.219 -4.899 1.00 0.00 H new ATOM 0 HE ARG B 138 0.917 17.048 -3.921 1.00 0.00 H new ATOM 0 HH11 ARG B 138 -1.853 15.165 -2.774 1.00 0.00 H new ATOM 0 HH12 ARG B 138 -2.235 16.326 -1.499 1.00 0.00 H new ATOM 0 HH21 ARG B 138 0.387 18.504 -2.321 1.00 0.00 H new ATOM 0 HH22 ARG B 138 -0.980 18.195 -1.246 1.00 0.00 H new