USER MOD reduce.3.24.130724 H: found=0, std=0, add=637, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 635 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 23 THR OG1 : rot -7:sc= 0.86 USER MOD Set 1.2: A 26 THR OG1 : rot -170:sc= 0.787 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.106 USER MOD Single : A 8 THR OG1 : rot 75:sc= 1.25 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot -52:sc= 0.681 USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0.0672 USER MOD Single : A 38 SER OG : rot -159:sc= -0.0192 USER MOD Single : A 39 HIS :FLIP no HD1:sc= -0.595 F(o=-1.2,f=-0.59) USER MOD Single : A 40 MET CE :methyl -168:sc= -0.0893 (180deg=-0.435) USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 45 SER OG : rot 76:sc= 1.03 USER MOD Single : A 49 HIS : no HD1:sc= -0.369 X(o=-0.37,f=0.091) USER MOD Single : A 50 TYR OH : rot 120:sc= -0.122 USER MOD Single : A 51 LYS NZ :NH3+ -128:sc= 0.133 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= -0.0775 X(o=-0.077,f=-0.077) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= 0.064 K(o=0.064,f=-0.51) USER MOD Single : A 74 LYS NZ :NH3+ -113:sc= -0.255 (180deg=-0.494) USER MOD Single : A 75 LYS NZ :NH3+ -160:sc= 0.493 (180deg=0.154) USER MOD Single : A 79 LYS NZ :NH3+ -168:sc= 0.123 (180deg=0.0321) USER MOD ----------------------------------------------------------------- ATOM 20 N PRO A 2 -10.056 4.403 7.691 1.00 0.00 N ATOM 21 CA PRO A 2 -10.027 5.880 7.623 1.00 0.00 C ATOM 22 C PRO A 2 -8.885 6.384 6.713 1.00 0.00 C ATOM 23 O PRO A 2 -8.188 7.345 7.044 1.00 0.00 O ATOM 24 CB PRO A 2 -9.795 6.238 9.107 1.00 0.00 C ATOM 25 CG PRO A 2 -8.865 5.159 9.614 1.00 0.00 C ATOM 26 CD PRO A 2 -9.107 3.924 8.735 1.00 0.00 C ATOM 0 HA PRO A 2 -10.921 6.333 7.194 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -9.350 7.227 9.212 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -10.732 6.249 9.664 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -7.826 5.482 9.551 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -9.066 4.935 10.662 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -8.179 3.560 8.294 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -9.530 3.101 9.311 1.00 0.00 H new ATOM 34 N THR A 3 -8.754 5.736 5.543 1.00 0.00 N ATOM 35 CA THR A 3 -7.591 5.879 4.647 1.00 0.00 C ATOM 36 C THR A 3 -7.416 7.324 4.120 1.00 0.00 C ATOM 37 O THR A 3 -6.565 8.054 4.631 1.00 0.00 O ATOM 38 CB THR A 3 -7.691 4.857 3.472 1.00 0.00 C ATOM 39 OG1 THR A 3 -8.982 4.966 2.848 1.00 0.00 O ATOM 40 CG2 THR A 3 -7.474 3.414 3.951 1.00 0.00 C ATOM 0 H THR A 3 -9.460 5.091 5.188 1.00 0.00 H new ATOM 0 HA THR A 3 -6.699 5.660 5.233 1.00 0.00 H new ATOM 0 HB THR A 3 -6.905 5.094 2.755 1.00 0.00 H new ATOM 0 HG1 THR A 3 -9.043 4.325 2.109 1.00 0.00 H new ATOM 0 HG21 THR A 3 -7.552 2.734 3.103 1.00 0.00 H new ATOM 0 HG22 THR A 3 -6.484 3.324 4.399 1.00 0.00 H new ATOM 0 HG23 THR A 3 -8.232 3.159 4.692 1.00 0.00 H new ATOM 48 N LEU A 4 -8.256 7.748 3.143 1.00 0.00 N ATOM 49 CA LEU A 4 -8.176 9.108 2.545 1.00 0.00 C ATOM 50 C LEU A 4 -8.475 10.182 3.609 1.00 0.00 C ATOM 51 O LEU A 4 -7.948 11.284 3.532 1.00 0.00 O ATOM 52 CB LEU A 4 -9.149 9.258 1.341 1.00 0.00 C ATOM 53 CG LEU A 4 -8.896 8.303 0.131 1.00 0.00 C ATOM 54 CD1 LEU A 4 -9.955 8.499 -0.974 1.00 0.00 C ATOM 55 CD2 LEU A 4 -7.468 8.481 -0.436 1.00 0.00 C ATOM 0 H LEU A 4 -8.998 7.168 2.751 1.00 0.00 H new ATOM 0 HA LEU A 4 -7.160 9.248 2.175 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -10.166 9.096 1.699 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -9.097 10.286 0.983 1.00 0.00 H new ATOM 0 HG LEU A 4 -8.986 7.281 0.500 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -9.749 7.819 -1.800 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -10.945 8.289 -0.570 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -9.920 9.528 -1.333 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -7.323 7.803 -1.277 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -7.336 9.509 -0.772 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -6.737 8.257 0.341 1.00 0.00 H new ATOM 67 N ASP A 5 -9.315 9.823 4.601 1.00 0.00 N ATOM 68 CA ASP A 5 -9.652 10.693 5.757 1.00 0.00 C ATOM 69 C ASP A 5 -8.385 11.161 6.504 1.00 0.00 C ATOM 70 O ASP A 5 -8.265 12.332 6.873 1.00 0.00 O ATOM 71 CB ASP A 5 -10.589 9.944 6.744 1.00 0.00 C ATOM 72 CG ASP A 5 -11.844 9.382 6.061 1.00 0.00 C ATOM 73 OD1 ASP A 5 -12.794 10.156 5.802 1.00 0.00 O ATOM 74 OD2 ASP A 5 -11.880 8.168 5.753 1.00 0.00 O ATOM 0 H ASP A 5 -9.784 8.917 4.627 1.00 0.00 H new ATOM 0 HA ASP A 5 -10.163 11.572 5.365 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -10.039 9.128 7.212 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -10.888 10.624 7.541 1.00 0.00 H new ATOM 79 N ALA A 6 -7.447 10.223 6.698 1.00 0.00 N ATOM 80 CA ALA A 6 -6.171 10.476 7.390 1.00 0.00 C ATOM 81 C ALA A 6 -5.090 10.994 6.417 1.00 0.00 C ATOM 82 O ALA A 6 -4.232 11.782 6.816 1.00 0.00 O ATOM 83 CB ALA A 6 -5.706 9.195 8.100 1.00 0.00 C ATOM 0 H ALA A 6 -7.551 9.260 6.378 1.00 0.00 H new ATOM 0 HA ALA A 6 -6.330 11.257 8.134 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -4.762 9.384 8.611 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -6.458 8.889 8.828 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -5.568 8.402 7.366 1.00 0.00 H new ATOM 89 N LEU A 7 -5.147 10.562 5.138 1.00 0.00 N ATOM 90 CA LEU A 7 -4.132 10.930 4.122 1.00 0.00 C ATOM 91 C LEU A 7 -4.277 12.397 3.680 1.00 0.00 C ATOM 92 O LEU A 7 -3.269 13.072 3.503 1.00 0.00 O ATOM 93 CB LEU A 7 -4.192 10.004 2.869 1.00 0.00 C ATOM 94 CG LEU A 7 -3.819 8.502 3.076 1.00 0.00 C ATOM 95 CD1 LEU A 7 -3.819 7.744 1.729 1.00 0.00 C ATOM 96 CD2 LEU A 7 -2.469 8.342 3.813 1.00 0.00 C ATOM 0 H LEU A 7 -5.887 9.956 4.782 1.00 0.00 H new ATOM 0 HA LEU A 7 -3.163 10.798 4.603 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -5.203 10.049 2.463 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -3.526 10.417 2.111 1.00 0.00 H new ATOM 0 HG LEU A 7 -4.584 8.058 3.713 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -3.556 6.700 1.899 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -4.811 7.800 1.280 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -3.090 8.197 1.057 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -2.246 7.282 3.937 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -1.678 8.814 3.230 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -2.530 8.817 4.792 1.00 0.00 H new ATOM 108 N THR A 8 -5.528 12.881 3.525 1.00 0.00 N ATOM 109 CA THR A 8 -5.808 14.215 2.936 1.00 0.00 C ATOM 110 C THR A 8 -5.095 15.380 3.685 1.00 0.00 C ATOM 111 O THR A 8 -4.411 16.155 3.020 1.00 0.00 O ATOM 112 CB THR A 8 -7.346 14.488 2.768 1.00 0.00 C ATOM 113 OG1 THR A 8 -7.933 13.469 1.948 1.00 0.00 O ATOM 114 CG2 THR A 8 -7.649 15.852 2.130 1.00 0.00 C ATOM 0 H THR A 8 -6.366 12.368 3.800 1.00 0.00 H new ATOM 0 HA THR A 8 -5.376 14.185 1.936 1.00 0.00 H new ATOM 0 HB THR A 8 -7.770 14.484 3.772 1.00 0.00 H new ATOM 0 HG1 THR A 8 -8.020 12.642 2.466 1.00 0.00 H new ATOM 0 HG21 THR A 8 -8.728 15.981 2.041 1.00 0.00 H new ATOM 0 HG22 THR A 8 -7.239 16.645 2.755 1.00 0.00 H new ATOM 0 HG23 THR A 8 -7.195 15.899 1.140 1.00 0.00 H new ATOM 122 N PRO A 9 -5.180 15.514 5.066 1.00 0.00 N ATOM 123 CA PRO A 9 -4.425 16.568 5.800 1.00 0.00 C ATOM 124 C PRO A 9 -2.885 16.414 5.680 1.00 0.00 C ATOM 125 O PRO A 9 -2.154 17.411 5.733 1.00 0.00 O ATOM 126 CB PRO A 9 -4.906 16.417 7.272 1.00 0.00 C ATOM 127 CG PRO A 9 -6.200 15.668 7.168 1.00 0.00 C ATOM 128 CD PRO A 9 -6.017 14.720 6.006 1.00 0.00 C ATOM 0 HA PRO A 9 -4.618 17.558 5.388 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -4.179 15.872 7.873 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -5.047 17.389 7.745 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -6.416 15.126 8.088 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -7.035 16.347 6.995 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -5.521 13.798 6.310 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -6.970 14.437 5.560 1.00 0.00 H new ATOM 136 N ILE A 10 -2.410 15.161 5.475 1.00 0.00 N ATOM 137 CA ILE A 10 -0.966 14.869 5.291 1.00 0.00 C ATOM 138 C ILE A 10 -0.503 15.411 3.928 1.00 0.00 C ATOM 139 O ILE A 10 0.561 16.008 3.830 1.00 0.00 O ATOM 140 CB ILE A 10 -0.638 13.326 5.402 1.00 0.00 C ATOM 141 CG1 ILE A 10 -1.103 12.775 6.786 1.00 0.00 C ATOM 142 CG2 ILE A 10 0.878 13.041 5.171 1.00 0.00 C ATOM 143 CD1 ILE A 10 -0.855 11.287 7.006 1.00 0.00 C ATOM 0 H ILE A 10 -3.007 14.335 5.433 1.00 0.00 H new ATOM 0 HA ILE A 10 -0.426 15.366 6.097 1.00 0.00 H new ATOM 0 HB ILE A 10 -1.187 12.808 4.615 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -0.593 13.333 7.572 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -2.170 12.970 6.898 1.00 0.00 H new ATOM 0 HG21 ILE A 10 1.064 11.970 5.255 1.00 0.00 H new ATOM 0 HG22 ILE A 10 1.165 13.382 4.176 1.00 0.00 H new ATOM 0 HG23 ILE A 10 1.466 13.571 5.920 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -1.212 11.001 7.995 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -1.388 10.713 6.248 1.00 0.00 H new ATOM 0 HD13 ILE A 10 0.213 11.081 6.932 1.00 0.00 H new ATOM 155 N PHE A 11 -1.336 15.222 2.887 1.00 0.00 N ATOM 156 CA PHE A 11 -1.085 15.764 1.536 1.00 0.00 C ATOM 157 C PHE A 11 -1.156 17.301 1.554 1.00 0.00 C ATOM 158 O PHE A 11 -0.310 17.977 0.965 1.00 0.00 O ATOM 159 CB PHE A 11 -2.096 15.186 0.504 1.00 0.00 C ATOM 160 CG PHE A 11 -1.771 13.780 -0.013 1.00 0.00 C ATOM 161 CD1 PHE A 11 -1.726 12.683 0.842 1.00 0.00 C ATOM 162 CD2 PHE A 11 -1.521 13.561 -1.369 1.00 0.00 C ATOM 163 CE1 PHE A 11 -1.448 11.417 0.366 1.00 0.00 C ATOM 164 CE2 PHE A 11 -1.245 12.298 -1.845 1.00 0.00 C ATOM 165 CZ PHE A 11 -1.208 11.227 -0.980 1.00 0.00 C ATOM 0 H PHE A 11 -2.203 14.689 2.958 1.00 0.00 H new ATOM 0 HA PHE A 11 -0.083 15.462 1.231 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -3.086 15.168 0.960 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -2.150 15.865 -0.347 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -1.912 12.824 1.896 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -1.544 14.395 -2.055 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -1.418 10.578 1.045 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -1.057 12.148 -2.898 1.00 0.00 H new ATOM 0 HZ PHE A 11 -0.991 10.238 -1.355 1.00 0.00 H new ATOM 175 N ARG A 12 -2.158 17.843 2.266 1.00 0.00 N ATOM 176 CA ARG A 12 -2.339 19.298 2.417 1.00 0.00 C ATOM 177 C ARG A 12 -1.140 19.943 3.128 1.00 0.00 C ATOM 178 O ARG A 12 -0.890 21.131 2.947 1.00 0.00 O ATOM 179 CB ARG A 12 -3.643 19.612 3.194 1.00 0.00 C ATOM 180 CG ARG A 12 -4.944 19.204 2.468 1.00 0.00 C ATOM 181 CD ARG A 12 -6.217 19.584 3.245 1.00 0.00 C ATOM 182 NE ARG A 12 -7.428 19.158 2.525 1.00 0.00 N ATOM 183 CZ ARG A 12 -8.660 19.655 2.688 1.00 0.00 C ATOM 184 NH1 ARG A 12 -8.884 20.657 3.530 1.00 0.00 N ATOM 185 NH2 ARG A 12 -9.660 19.157 1.977 1.00 0.00 N ATOM 0 H ARG A 12 -2.863 17.288 2.752 1.00 0.00 H new ATOM 0 HA ARG A 12 -2.411 19.722 1.415 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -3.607 19.104 4.157 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -3.678 20.682 3.399 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -4.969 19.679 1.487 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -4.936 18.127 2.300 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -6.196 19.121 4.232 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -6.243 20.663 3.400 1.00 0.00 H new ATOM 0 HE ARG A 12 -7.318 18.413 1.837 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -8.112 21.058 4.063 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -9.828 21.026 3.644 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -9.487 18.402 1.313 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -10.603 19.528 2.093 1.00 0.00 H new ATOM 199 N GLN A 13 -0.416 19.150 3.939 1.00 0.00 N ATOM 200 CA GLN A 13 0.790 19.607 4.645 1.00 0.00 C ATOM 201 C GLN A 13 2.044 19.504 3.739 1.00 0.00 C ATOM 202 O GLN A 13 2.680 20.521 3.442 1.00 0.00 O ATOM 203 CB GLN A 13 0.990 18.778 5.939 1.00 0.00 C ATOM 204 CG GLN A 13 2.163 19.258 6.817 1.00 0.00 C ATOM 205 CD GLN A 13 2.382 18.382 8.043 1.00 0.00 C ATOM 206 OE1 GLN A 13 1.817 18.633 9.105 1.00 0.00 O ATOM 207 NE2 GLN A 13 3.205 17.355 7.917 1.00 0.00 N ATOM 0 H GLN A 13 -0.653 18.175 4.122 1.00 0.00 H new ATOM 0 HA GLN A 13 0.655 20.656 4.909 1.00 0.00 H new ATOM 0 HB2 GLN A 13 0.072 18.813 6.526 1.00 0.00 H new ATOM 0 HB3 GLN A 13 1.155 17.735 5.668 1.00 0.00 H new ATOM 0 HG2 GLN A 13 3.075 19.273 6.220 1.00 0.00 H new ATOM 0 HG3 GLN A 13 1.975 20.283 7.138 1.00 0.00 H new ATOM 0 HE21 GLN A 13 3.659 17.172 7.022 1.00 0.00 H new ATOM 0 HE22 GLN A 13 3.386 16.745 8.715 1.00 0.00 H new ATOM 216 N VAL A 14 2.360 18.260 3.297 1.00 0.00 N ATOM 217 CA VAL A 14 3.580 17.931 2.513 1.00 0.00 C ATOM 218 C VAL A 14 3.661 18.762 1.217 1.00 0.00 C ATOM 219 O VAL A 14 4.721 19.304 0.874 1.00 0.00 O ATOM 220 CB VAL A 14 3.644 16.386 2.163 1.00 0.00 C ATOM 221 CG1 VAL A 14 4.831 16.045 1.214 1.00 0.00 C ATOM 222 CG2 VAL A 14 3.709 15.528 3.452 1.00 0.00 C ATOM 0 H VAL A 14 1.769 17.448 3.476 1.00 0.00 H new ATOM 0 HA VAL A 14 4.435 18.183 3.141 1.00 0.00 H new ATOM 0 HB VAL A 14 2.725 16.143 1.630 1.00 0.00 H new ATOM 0 HG11 VAL A 14 4.833 14.976 1.003 1.00 0.00 H new ATOM 0 HG12 VAL A 14 4.722 16.598 0.281 1.00 0.00 H new ATOM 0 HG13 VAL A 14 5.770 16.322 1.692 1.00 0.00 H new ATOM 0 HG21 VAL A 14 3.752 14.472 3.185 1.00 0.00 H new ATOM 0 HG22 VAL A 14 4.599 15.795 4.022 1.00 0.00 H new ATOM 0 HG23 VAL A 14 2.822 15.713 4.057 1.00 0.00 H new ATOM 232 N PHE A 15 2.525 18.866 0.525 1.00 0.00 N ATOM 233 CA PHE A 15 2.417 19.599 -0.750 1.00 0.00 C ATOM 234 C PHE A 15 2.040 21.071 -0.512 1.00 0.00 C ATOM 235 O PHE A 15 2.234 21.901 -1.408 1.00 0.00 O ATOM 236 CB PHE A 15 1.385 18.907 -1.674 1.00 0.00 C ATOM 237 CG PHE A 15 1.750 17.457 -1.995 1.00 0.00 C ATOM 238 CD1 PHE A 15 1.339 16.413 -1.171 1.00 0.00 C ATOM 239 CD2 PHE A 15 2.527 17.143 -3.101 1.00 0.00 C ATOM 240 CE1 PHE A 15 1.689 15.110 -1.438 1.00 0.00 C ATOM 241 CE2 PHE A 15 2.872 15.841 -3.366 1.00 0.00 C ATOM 242 CZ PHE A 15 2.456 14.824 -2.538 1.00 0.00 C ATOM 0 H PHE A 15 1.647 18.445 0.829 1.00 0.00 H new ATOM 0 HA PHE A 15 3.390 19.584 -1.241 1.00 0.00 H new ATOM 0 HB2 PHE A 15 0.405 18.933 -1.198 1.00 0.00 H new ATOM 0 HB3 PHE A 15 1.303 19.470 -2.604 1.00 0.00 H new ATOM 0 HD1 PHE A 15 0.733 16.631 -0.304 1.00 0.00 H new ATOM 0 HD2 PHE A 15 2.863 17.930 -3.759 1.00 0.00 H new ATOM 0 HE1 PHE A 15 1.361 14.315 -0.784 1.00 0.00 H new ATOM 0 HE2 PHE A 15 3.475 15.613 -4.232 1.00 0.00 H new ATOM 0 HZ PHE A 15 2.733 13.803 -2.754 1.00 0.00 H new ATOM 252 N ASP A 16 1.517 21.375 0.705 1.00 0.00 N ATOM 253 CA ASP A 16 1.052 22.726 1.098 1.00 0.00 C ATOM 254 C ASP A 16 -0.046 23.227 0.142 1.00 0.00 C ATOM 255 O ASP A 16 0.236 23.961 -0.812 1.00 0.00 O ATOM 256 CB ASP A 16 2.230 23.737 1.226 1.00 0.00 C ATOM 257 CG ASP A 16 1.768 25.161 1.598 1.00 0.00 C ATOM 258 OD1 ASP A 16 1.167 25.331 2.677 1.00 0.00 O ATOM 259 OD2 ASP A 16 2.001 26.115 0.817 1.00 0.00 O ATOM 0 H ASP A 16 1.407 20.681 1.445 1.00 0.00 H new ATOM 0 HA ASP A 16 0.611 22.648 2.092 1.00 0.00 H new ATOM 0 HB2 ASP A 16 2.928 23.379 1.983 1.00 0.00 H new ATOM 0 HB3 ASP A 16 2.774 23.773 0.282 1.00 0.00 H new ATOM 264 N ASP A 17 -1.284 22.760 0.380 1.00 0.00 N ATOM 265 CA ASP A 17 -2.446 23.113 -0.439 1.00 0.00 C ATOM 266 C ASP A 17 -3.720 22.557 0.228 1.00 0.00 C ATOM 267 O ASP A 17 -3.925 21.344 0.244 1.00 0.00 O ATOM 268 CB ASP A 17 -2.286 22.555 -1.889 1.00 0.00 C ATOM 269 CG ASP A 17 -3.376 23.064 -2.841 1.00 0.00 C ATOM 270 OD1 ASP A 17 -4.454 22.447 -2.924 1.00 0.00 O ATOM 271 OD2 ASP A 17 -3.175 24.112 -3.485 1.00 0.00 O ATOM 0 H ASP A 17 -1.502 22.126 1.149 1.00 0.00 H new ATOM 0 HA ASP A 17 -2.525 24.198 -0.511 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -1.308 22.839 -2.278 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -2.314 21.466 -1.860 1.00 0.00 H new ATOM 276 N ASP A 18 -4.559 23.451 0.788 1.00 0.00 N ATOM 277 CA ASP A 18 -5.822 23.070 1.470 1.00 0.00 C ATOM 278 C ASP A 18 -6.904 22.610 0.465 1.00 0.00 C ATOM 279 O ASP A 18 -7.858 21.928 0.843 1.00 0.00 O ATOM 280 CB ASP A 18 -6.332 24.258 2.330 1.00 0.00 C ATOM 281 CG ASP A 18 -7.643 23.967 3.095 1.00 0.00 C ATOM 282 OD1 ASP A 18 -7.594 23.317 4.157 1.00 0.00 O ATOM 283 OD2 ASP A 18 -8.728 24.404 2.636 1.00 0.00 O ATOM 0 H ASP A 18 -4.385 24.456 0.783 1.00 0.00 H new ATOM 0 HA ASP A 18 -5.614 22.221 2.121 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -5.558 24.531 3.048 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -6.486 25.121 1.683 1.00 0.00 H new ATOM 288 N SER A 19 -6.731 22.946 -0.823 1.00 0.00 N ATOM 289 CA SER A 19 -7.713 22.593 -1.869 1.00 0.00 C ATOM 290 C SER A 19 -7.556 21.116 -2.306 1.00 0.00 C ATOM 291 O SER A 19 -8.368 20.619 -3.095 1.00 0.00 O ATOM 292 CB SER A 19 -7.578 23.551 -3.069 1.00 0.00 C ATOM 293 OG SER A 19 -7.785 24.897 -2.670 1.00 0.00 O ATOM 0 H SER A 19 -5.922 23.462 -1.168 1.00 0.00 H new ATOM 0 HA SER A 19 -8.715 22.703 -1.455 1.00 0.00 H new ATOM 0 HB2 SER A 19 -6.588 23.447 -3.512 1.00 0.00 H new ATOM 0 HB3 SER A 19 -8.301 23.280 -3.838 1.00 0.00 H new ATOM 0 HG SER A 19 -7.693 25.487 -3.447 1.00 0.00 H new ATOM 299 N ILE A 20 -6.502 20.423 -1.800 1.00 0.00 N ATOM 300 CA ILE A 20 -6.332 18.972 -2.001 1.00 0.00 C ATOM 301 C ILE A 20 -7.491 18.206 -1.330 1.00 0.00 C ATOM 302 O ILE A 20 -7.609 18.182 -0.108 1.00 0.00 O ATOM 303 CB ILE A 20 -4.940 18.446 -1.451 1.00 0.00 C ATOM 304 CG1 ILE A 20 -3.754 19.081 -2.249 1.00 0.00 C ATOM 305 CG2 ILE A 20 -4.857 16.894 -1.490 1.00 0.00 C ATOM 306 CD1 ILE A 20 -2.361 18.661 -1.793 1.00 0.00 C ATOM 0 H ILE A 20 -5.759 20.854 -1.249 1.00 0.00 H new ATOM 0 HA ILE A 20 -6.345 18.790 -3.076 1.00 0.00 H new ATOM 0 HB ILE A 20 -4.862 18.754 -0.408 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -3.867 18.822 -3.302 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -3.830 20.166 -2.178 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -3.889 16.572 -1.106 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -5.651 16.472 -0.874 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -4.972 16.549 -2.518 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -1.611 19.157 -2.410 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -2.218 18.945 -0.750 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -2.256 17.581 -1.892 1.00 0.00 H new ATOM 318 N VAL A 21 -8.363 17.639 -2.159 1.00 0.00 N ATOM 319 CA VAL A 21 -9.455 16.755 -1.750 1.00 0.00 C ATOM 320 C VAL A 21 -9.197 15.412 -2.442 1.00 0.00 C ATOM 321 O VAL A 21 -9.421 15.285 -3.652 1.00 0.00 O ATOM 322 CB VAL A 21 -10.859 17.344 -2.165 1.00 0.00 C ATOM 323 CG1 VAL A 21 -12.021 16.392 -1.779 1.00 0.00 C ATOM 324 CG2 VAL A 21 -11.069 18.761 -1.571 1.00 0.00 C ATOM 0 H VAL A 21 -8.329 17.786 -3.168 1.00 0.00 H new ATOM 0 HA VAL A 21 -9.482 16.645 -0.666 1.00 0.00 H new ATOM 0 HB VAL A 21 -10.865 17.433 -3.251 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -12.970 16.835 -2.082 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -11.890 15.435 -2.283 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -12.021 16.237 -0.700 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -12.045 19.141 -1.874 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -11.021 18.710 -0.483 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -10.289 19.429 -1.938 1.00 0.00 H new ATOM 334 N LEU A 22 -8.656 14.442 -1.692 1.00 0.00 N ATOM 335 CA LEU A 22 -8.219 13.159 -2.258 1.00 0.00 C ATOM 336 C LEU A 22 -9.402 12.289 -2.675 1.00 0.00 C ATOM 337 O LEU A 22 -10.382 12.147 -1.934 1.00 0.00 O ATOM 338 CB LEU A 22 -7.326 12.391 -1.257 1.00 0.00 C ATOM 339 CG LEU A 22 -5.951 13.051 -0.934 1.00 0.00 C ATOM 340 CD1 LEU A 22 -5.167 12.198 0.077 1.00 0.00 C ATOM 341 CD2 LEU A 22 -5.129 13.301 -2.226 1.00 0.00 C ATOM 0 H LEU A 22 -8.510 14.523 -0.686 1.00 0.00 H new ATOM 0 HA LEU A 22 -7.637 13.386 -3.151 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -7.878 12.270 -0.325 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -7.145 11.392 -1.653 1.00 0.00 H new ATOM 0 HG LEU A 22 -6.139 14.023 -0.479 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -4.210 12.674 0.290 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -5.741 12.108 0.999 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -4.993 11.206 -0.341 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -4.176 13.762 -1.967 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -4.948 12.352 -2.731 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -5.685 13.965 -2.888 1.00 0.00 H new ATOM 353 N THR A 23 -9.269 11.714 -3.867 1.00 0.00 N ATOM 354 CA THR A 23 -10.191 10.734 -4.430 1.00 0.00 C ATOM 355 C THR A 23 -9.334 9.553 -4.916 1.00 0.00 C ATOM 356 O THR A 23 -8.123 9.717 -5.155 1.00 0.00 O ATOM 357 CB THR A 23 -11.053 11.341 -5.590 1.00 0.00 C ATOM 358 OG1 THR A 23 -10.204 11.886 -6.609 1.00 0.00 O ATOM 359 CG2 THR A 23 -12.018 12.435 -5.092 1.00 0.00 C ATOM 0 H THR A 23 -8.489 11.926 -4.489 1.00 0.00 H new ATOM 0 HA THR A 23 -10.909 10.407 -3.678 1.00 0.00 H new ATOM 0 HB THR A 23 -11.651 10.527 -5.999 1.00 0.00 H new ATOM 0 HG1 THR A 23 -9.273 11.869 -6.303 1.00 0.00 H new ATOM 0 HG21 THR A 23 -12.592 12.824 -5.933 1.00 0.00 H new ATOM 0 HG22 THR A 23 -12.698 12.011 -4.353 1.00 0.00 H new ATOM 0 HG23 THR A 23 -11.447 13.245 -4.637 1.00 0.00 H new ATOM 367 N ARG A 24 -9.942 8.374 -5.038 1.00 0.00 N ATOM 368 CA ARG A 24 -9.198 7.117 -5.248 1.00 0.00 C ATOM 369 C ARG A 24 -8.422 7.069 -6.584 1.00 0.00 C ATOM 370 O ARG A 24 -7.378 6.428 -6.662 1.00 0.00 O ATOM 371 CB ARG A 24 -10.148 5.897 -5.104 1.00 0.00 C ATOM 372 CG ARG A 24 -10.826 5.805 -3.715 1.00 0.00 C ATOM 373 CD ARG A 24 -11.695 4.547 -3.525 1.00 0.00 C ATOM 374 NE ARG A 24 -10.894 3.311 -3.469 1.00 0.00 N ATOM 375 CZ ARG A 24 -11.385 2.066 -3.411 1.00 0.00 C ATOM 376 NH1 ARG A 24 -12.688 1.834 -3.461 1.00 0.00 N ATOM 377 NH2 ARG A 24 -10.542 1.056 -3.324 1.00 0.00 N ATOM 0 H ARG A 24 -10.954 8.255 -4.996 1.00 0.00 H new ATOM 0 HA ARG A 24 -8.437 7.073 -4.468 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -10.918 5.953 -5.873 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -9.583 4.983 -5.285 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -10.056 5.822 -2.944 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -11.446 6.689 -3.565 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -12.273 4.644 -2.606 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -12.410 4.476 -4.345 1.00 0.00 H new ATOM 0 HE ARG A 24 -9.879 3.412 -3.475 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -13.342 2.612 -3.546 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -13.038 0.877 -3.415 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -9.537 1.231 -3.302 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -10.895 0.100 -3.279 1.00 0.00 H new ATOM 391 N GLU A 25 -8.912 7.771 -7.612 1.00 0.00 N ATOM 392 CA GLU A 25 -8.253 7.792 -8.950 1.00 0.00 C ATOM 393 C GLU A 25 -7.429 9.082 -9.177 1.00 0.00 C ATOM 394 O GLU A 25 -7.034 9.372 -10.311 1.00 0.00 O ATOM 395 CB GLU A 25 -9.278 7.545 -10.104 1.00 0.00 C ATOM 396 CG GLU A 25 -10.417 8.583 -10.249 1.00 0.00 C ATOM 397 CD GLU A 25 -11.457 8.526 -9.120 1.00 0.00 C ATOM 398 OE1 GLU A 25 -12.264 7.574 -9.089 1.00 0.00 O ATOM 399 OE2 GLU A 25 -11.447 9.407 -8.241 1.00 0.00 O ATOM 0 H GLU A 25 -9.760 8.335 -7.557 1.00 0.00 H new ATOM 0 HA GLU A 25 -7.545 6.963 -8.965 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -8.730 7.506 -11.045 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -9.728 6.563 -9.957 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -9.983 9.582 -10.280 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -10.921 8.424 -11.202 1.00 0.00 H new ATOM 406 N THR A 26 -7.144 9.833 -8.090 1.00 0.00 N ATOM 407 CA THR A 26 -6.140 10.927 -8.116 1.00 0.00 C ATOM 408 C THR A 26 -4.734 10.310 -8.239 1.00 0.00 C ATOM 409 O THR A 26 -4.436 9.381 -7.513 1.00 0.00 O ATOM 410 CB THR A 26 -6.194 11.795 -6.804 1.00 0.00 C ATOM 411 OG1 THR A 26 -7.496 12.356 -6.659 1.00 0.00 O ATOM 412 CG2 THR A 26 -5.148 12.929 -6.783 1.00 0.00 C ATOM 0 H THR A 26 -7.593 9.704 -7.183 1.00 0.00 H new ATOM 0 HA THR A 26 -6.363 11.572 -8.966 1.00 0.00 H new ATOM 0 HB THR A 26 -5.961 11.128 -5.974 1.00 0.00 H new ATOM 0 HG1 THR A 26 -7.488 13.018 -5.936 1.00 0.00 H new ATOM 0 HG21 THR A 26 -5.238 13.490 -5.853 1.00 0.00 H new ATOM 0 HG22 THR A 26 -4.147 12.502 -6.855 1.00 0.00 H new ATOM 0 HG23 THR A 26 -5.319 13.597 -7.627 1.00 0.00 H new ATOM 420 N SER A 27 -3.889 10.817 -9.146 1.00 0.00 N ATOM 421 CA SER A 27 -2.484 10.369 -9.273 1.00 0.00 C ATOM 422 C SER A 27 -1.544 11.583 -9.302 1.00 0.00 C ATOM 423 O SER A 27 -1.983 12.732 -9.108 1.00 0.00 O ATOM 424 CB SER A 27 -2.316 9.510 -10.549 1.00 0.00 C ATOM 425 OG SER A 27 -2.590 10.262 -11.722 1.00 0.00 O ATOM 0 H SER A 27 -4.151 11.545 -9.811 1.00 0.00 H new ATOM 0 HA SER A 27 -2.224 9.756 -8.410 1.00 0.00 H new ATOM 0 HB2 SER A 27 -1.299 9.120 -10.595 1.00 0.00 H new ATOM 0 HB3 SER A 27 -2.985 8.651 -10.501 1.00 0.00 H new ATOM 0 HG SER A 27 -3.461 10.702 -11.633 1.00 0.00 H new ATOM 431 N ALA A 28 -0.239 11.319 -9.520 1.00 0.00 N ATOM 432 CA ALA A 28 0.772 12.376 -9.684 1.00 0.00 C ATOM 433 C ALA A 28 0.527 13.245 -10.935 1.00 0.00 C ATOM 434 O ALA A 28 1.054 14.347 -11.026 1.00 0.00 O ATOM 435 CB ALA A 28 2.172 11.758 -9.699 1.00 0.00 C ATOM 0 H ALA A 28 0.138 10.374 -9.586 1.00 0.00 H new ATOM 0 HA ALA A 28 0.689 13.049 -8.830 1.00 0.00 H new ATOM 0 HB1 ALA A 28 2.916 12.545 -9.821 1.00 0.00 H new ATOM 0 HB2 ALA A 28 2.348 11.234 -8.760 1.00 0.00 H new ATOM 0 HB3 ALA A 28 2.250 11.054 -10.527 1.00 0.00 H new ATOM 441 N ASN A 29 -0.274 12.740 -11.892 1.00 0.00 N ATOM 442 CA ASN A 29 -0.714 13.533 -13.057 1.00 0.00 C ATOM 443 C ASN A 29 -1.810 14.536 -12.625 1.00 0.00 C ATOM 444 O ASN A 29 -1.851 15.675 -13.101 1.00 0.00 O ATOM 445 CB ASN A 29 -1.240 12.607 -14.184 1.00 0.00 C ATOM 446 CG ASN A 29 -1.712 13.374 -15.430 1.00 0.00 C ATOM 447 OD1 ASN A 29 -0.920 13.674 -16.326 1.00 0.00 O ATOM 448 ND2 ASN A 29 -2.998 13.696 -15.489 1.00 0.00 N ATOM 0 H ASN A 29 -0.631 11.784 -11.882 1.00 0.00 H new ATOM 0 HA ASN A 29 0.140 14.087 -13.446 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -0.451 11.911 -14.471 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -2.067 12.010 -13.798 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -3.359 14.208 -16.294 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -3.625 13.432 -14.729 1.00 0.00 H new ATOM 455 N ASP A 30 -2.682 14.093 -11.692 1.00 0.00 N ATOM 456 CA ASP A 30 -3.826 14.895 -11.199 1.00 0.00 C ATOM 457 C ASP A 30 -3.375 15.952 -10.176 1.00 0.00 C ATOM 458 O ASP A 30 -4.168 16.806 -9.785 1.00 0.00 O ATOM 459 CB ASP A 30 -4.916 13.979 -10.580 1.00 0.00 C ATOM 460 CG ASP A 30 -5.524 13.017 -11.610 1.00 0.00 C ATOM 461 OD1 ASP A 30 -4.973 11.915 -11.806 1.00 0.00 O ATOM 462 OD2 ASP A 30 -6.537 13.371 -12.250 1.00 0.00 O ATOM 0 H ASP A 30 -2.614 13.172 -11.260 1.00 0.00 H new ATOM 0 HA ASP A 30 -4.252 15.416 -12.056 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -4.482 13.404 -9.762 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -5.706 14.596 -10.152 1.00 0.00 H new ATOM 467 N ILE A 31 -2.103 15.881 -9.725 1.00 0.00 N ATOM 468 CA ILE A 31 -1.480 16.916 -8.878 1.00 0.00 C ATOM 469 C ILE A 31 -0.170 17.364 -9.567 1.00 0.00 C ATOM 470 O ILE A 31 0.806 16.617 -9.582 1.00 0.00 O ATOM 471 CB ILE A 31 -1.197 16.387 -7.410 1.00 0.00 C ATOM 472 CG1 ILE A 31 -2.530 15.959 -6.698 1.00 0.00 C ATOM 473 CG2 ILE A 31 -0.415 17.433 -6.565 1.00 0.00 C ATOM 474 CD1 ILE A 31 -2.367 15.446 -5.268 1.00 0.00 C ATOM 0 H ILE A 31 -1.480 15.102 -9.940 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.162 17.759 -8.772 1.00 0.00 H new ATOM 0 HB ILE A 31 -0.565 15.503 -7.495 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.207 16.813 -6.686 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.008 15.182 -7.294 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -0.239 17.035 -5.565 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.541 17.646 -7.044 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -0.998 18.351 -6.493 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -3.343 15.177 -4.865 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -1.720 14.569 -5.268 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -1.922 16.226 -4.650 1.00 0.00 H new ATOM 486 N ASP A 32 -0.190 18.581 -10.158 1.00 0.00 N ATOM 487 CA ASP A 32 0.943 19.163 -10.934 1.00 0.00 C ATOM 488 C ASP A 32 2.256 19.218 -10.129 1.00 0.00 C ATOM 489 O ASP A 32 3.338 18.992 -10.678 1.00 0.00 O ATOM 490 CB ASP A 32 0.590 20.596 -11.421 1.00 0.00 C ATOM 491 CG ASP A 32 -0.473 20.613 -12.529 1.00 0.00 C ATOM 492 OD1 ASP A 32 -1.672 20.538 -12.214 1.00 0.00 O ATOM 493 OD2 ASP A 32 -0.113 20.689 -13.724 1.00 0.00 O ATOM 0 H ASP A 32 -1.001 19.198 -10.112 1.00 0.00 H new ATOM 0 HA ASP A 32 1.100 18.501 -11.785 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.233 21.183 -10.575 1.00 0.00 H new ATOM 0 HB3 ASP A 32 1.495 21.082 -11.787 1.00 0.00 H new ATOM 498 N ALA A 33 2.141 19.540 -8.836 1.00 0.00 N ATOM 499 CA ALA A 33 3.300 19.719 -7.941 1.00 0.00 C ATOM 500 C ALA A 33 3.682 18.415 -7.199 1.00 0.00 C ATOM 501 O ALA A 33 4.472 18.454 -6.254 1.00 0.00 O ATOM 502 CB ALA A 33 3.001 20.860 -6.952 1.00 0.00 C ATOM 0 H ALA A 33 1.242 19.685 -8.376 1.00 0.00 H new ATOM 0 HA ALA A 33 4.166 19.982 -8.549 1.00 0.00 H new ATOM 0 HB1 ALA A 33 3.854 20.998 -6.287 1.00 0.00 H new ATOM 0 HB2 ALA A 33 2.819 21.782 -7.504 1.00 0.00 H new ATOM 0 HB3 ALA A 33 2.119 20.609 -6.363 1.00 0.00 H new ATOM 508 N TRP A 34 3.126 17.258 -7.618 1.00 0.00 N ATOM 509 CA TRP A 34 3.517 15.946 -7.060 1.00 0.00 C ATOM 510 C TRP A 34 4.714 15.386 -7.852 1.00 0.00 C ATOM 511 O TRP A 34 4.564 14.497 -8.704 1.00 0.00 O ATOM 512 CB TRP A 34 2.308 14.962 -7.061 1.00 0.00 C ATOM 513 CG TRP A 34 2.453 13.723 -6.190 1.00 0.00 C ATOM 514 CD1 TRP A 34 3.575 13.242 -5.567 1.00 0.00 C ATOM 515 CD2 TRP A 34 1.403 12.811 -5.853 1.00 0.00 C ATOM 516 NE1 TRP A 34 3.276 12.106 -4.863 1.00 0.00 N ATOM 517 CE2 TRP A 34 1.955 11.815 -5.031 1.00 0.00 C ATOM 518 CE3 TRP A 34 0.052 12.745 -6.168 1.00 0.00 C ATOM 519 CZ2 TRP A 34 1.205 10.760 -4.527 1.00 0.00 C ATOM 520 CZ3 TRP A 34 -0.689 11.701 -5.672 1.00 0.00 C ATOM 521 CH2 TRP A 34 -0.113 10.717 -4.859 1.00 0.00 C ATOM 0 H TRP A 34 2.407 17.206 -8.339 1.00 0.00 H new ATOM 0 HA TRP A 34 3.823 16.071 -6.021 1.00 0.00 H new ATOM 0 HB2 TRP A 34 1.422 15.507 -6.737 1.00 0.00 H new ATOM 0 HB3 TRP A 34 2.128 14.641 -8.087 1.00 0.00 H new ATOM 0 HD1 TRP A 34 4.554 13.694 -5.623 1.00 0.00 H new ATOM 0 HE1 TRP A 34 3.935 11.565 -4.303 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -0.406 13.499 -6.790 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 1.651 10.004 -3.897 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -1.740 11.637 -5.914 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -0.727 9.909 -4.489 1.00 0.00 H new ATOM 532 N ASP A 35 5.890 15.970 -7.592 1.00 0.00 N ATOM 533 CA ASP A 35 7.180 15.515 -8.141 1.00 0.00 C ATOM 534 C ASP A 35 7.581 14.159 -7.557 1.00 0.00 C ATOM 535 O ASP A 35 7.042 13.732 -6.530 1.00 0.00 O ATOM 536 CB ASP A 35 8.271 16.571 -7.834 1.00 0.00 C ATOM 537 CG ASP A 35 7.993 17.915 -8.524 1.00 0.00 C ATOM 538 OD1 ASP A 35 7.263 18.751 -7.956 1.00 0.00 O ATOM 539 OD2 ASP A 35 8.482 18.138 -9.661 1.00 0.00 O ATOM 0 H ASP A 35 5.977 16.785 -6.985 1.00 0.00 H new ATOM 0 HA ASP A 35 7.077 15.397 -9.220 1.00 0.00 H new ATOM 0 HB2 ASP A 35 8.332 16.724 -6.757 1.00 0.00 H new ATOM 0 HB3 ASP A 35 9.241 16.193 -8.158 1.00 0.00 H new ATOM 544 N SER A 36 8.530 13.481 -8.231 1.00 0.00 N ATOM 545 CA SER A 36 9.155 12.228 -7.751 1.00 0.00 C ATOM 546 C SER A 36 9.764 12.419 -6.332 1.00 0.00 C ATOM 547 O SER A 36 9.762 11.510 -5.496 1.00 0.00 O ATOM 548 CB SER A 36 10.261 11.798 -8.767 1.00 0.00 C ATOM 549 OG SER A 36 9.912 12.156 -10.135 1.00 0.00 O ATOM 0 H SER A 36 8.890 13.789 -9.134 1.00 0.00 H new ATOM 0 HA SER A 36 8.395 11.449 -7.681 1.00 0.00 H new ATOM 0 HB2 SER A 36 11.205 12.272 -8.498 1.00 0.00 H new ATOM 0 HB3 SER A 36 10.415 10.721 -8.702 1.00 0.00 H new ATOM 0 HG SER A 36 10.629 11.872 -10.740 1.00 0.00 H new ATOM 554 N LEU A 37 10.292 13.630 -6.108 1.00 0.00 N ATOM 555 CA LEU A 37 10.868 14.062 -4.819 1.00 0.00 C ATOM 556 C LEU A 37 9.766 14.259 -3.750 1.00 0.00 C ATOM 557 O LEU A 37 9.980 13.981 -2.562 1.00 0.00 O ATOM 558 CB LEU A 37 11.683 15.376 -5.001 1.00 0.00 C ATOM 559 CG LEU A 37 12.905 15.341 -5.988 1.00 0.00 C ATOM 560 CD1 LEU A 37 13.822 14.126 -5.734 1.00 0.00 C ATOM 561 CD2 LEU A 37 12.472 15.439 -7.467 1.00 0.00 C ATOM 0 H LEU A 37 10.333 14.352 -6.827 1.00 0.00 H new ATOM 0 HA LEU A 37 11.538 13.276 -4.472 1.00 0.00 H new ATOM 0 HB2 LEU A 37 10.998 16.152 -5.341 1.00 0.00 H new ATOM 0 HB3 LEU A 37 12.050 15.682 -4.022 1.00 0.00 H new ATOM 0 HG LEU A 37 13.495 16.233 -5.778 1.00 0.00 H new ATOM 0 HD11 LEU A 37 14.653 14.143 -6.439 1.00 0.00 H new ATOM 0 HD12 LEU A 37 14.209 14.169 -4.716 1.00 0.00 H new ATOM 0 HD13 LEU A 37 13.252 13.206 -5.867 1.00 0.00 H new ATOM 0 HD21 LEU A 37 13.354 15.410 -8.107 1.00 0.00 H new ATOM 0 HD22 LEU A 37 11.819 14.601 -7.711 1.00 0.00 H new ATOM 0 HD23 LEU A 37 11.937 16.375 -7.628 1.00 0.00 H new ATOM 573 N SER A 38 8.594 14.756 -4.198 1.00 0.00 N ATOM 574 CA SER A 38 7.412 14.967 -3.341 1.00 0.00 C ATOM 575 C SER A 38 6.862 13.618 -2.827 1.00 0.00 C ATOM 576 O SER A 38 6.365 13.540 -1.701 1.00 0.00 O ATOM 577 CB SER A 38 6.326 15.729 -4.127 1.00 0.00 C ATOM 578 OG SER A 38 6.857 16.892 -4.734 1.00 0.00 O ATOM 0 H SER A 38 8.442 15.023 -5.171 1.00 0.00 H new ATOM 0 HA SER A 38 7.707 15.562 -2.477 1.00 0.00 H new ATOM 0 HB2 SER A 38 5.902 15.078 -4.891 1.00 0.00 H new ATOM 0 HB3 SER A 38 5.513 16.005 -3.456 1.00 0.00 H new ATOM 0 HG SER A 38 6.130 17.518 -4.933 1.00 0.00 H new ATOM 584 N HIS A 39 6.950 12.573 -3.693 1.00 0.00 N ATOM 585 CA HIS A 39 6.661 11.168 -3.311 1.00 0.00 C ATOM 586 C HIS A 39 7.500 10.745 -2.103 1.00 0.00 C ATOM 587 O HIS A 39 6.964 10.236 -1.136 1.00 0.00 O ATOM 588 CB HIS A 39 6.917 10.180 -4.484 1.00 0.00 C ATOM 589 CG HIS A 39 5.876 10.217 -5.557 1.00 0.00 C ATOM 590 ND1 HIS A 39 5.848 10.897 -6.722 1.00 0.00 N flip ATOM 591 CD2 HIS A 39 4.747 9.453 -5.463 1.00 0.00 C flip ATOM 592 CE1 HIS A 39 4.689 10.547 -7.360 1.00 0.00 C flip ATOM 593 NE2 HIS A 39 4.071 9.670 -6.565 1.00 0.00 N flip ATOM 0 H HIS A 39 7.222 12.682 -4.670 1.00 0.00 H new ATOM 0 HA HIS A 39 5.603 11.128 -3.052 1.00 0.00 H new ATOM 0 HB2 HIS A 39 7.887 10.404 -4.927 1.00 0.00 H new ATOM 0 HB3 HIS A 39 6.975 9.167 -4.085 1.00 0.00 H new ATOM 0 HD2 HIS A 39 4.468 8.803 -4.647 1.00 0.00 H new ATOM 0 HE1 HIS A 39 4.343 10.909 -8.317 1.00 0.00 H new ATOM 0 HE2 HIS A 39 3.181 9.223 -6.788 1.00 0.00 H new ATOM 601 N MET A 40 8.813 11.023 -2.160 1.00 0.00 N ATOM 602 CA MET A 40 9.772 10.624 -1.103 1.00 0.00 C ATOM 603 C MET A 40 9.388 11.233 0.258 1.00 0.00 C ATOM 604 O MET A 40 9.386 10.543 1.278 1.00 0.00 O ATOM 605 CB MET A 40 11.223 11.031 -1.489 1.00 0.00 C ATOM 606 CG MET A 40 11.818 10.234 -2.666 1.00 0.00 C ATOM 607 SD MET A 40 11.840 8.449 -2.362 1.00 0.00 S ATOM 608 CE MET A 40 12.744 8.331 -0.804 1.00 0.00 C ATOM 0 H MET A 40 9.243 11.528 -2.934 1.00 0.00 H new ATOM 0 HA MET A 40 9.730 9.539 -1.012 1.00 0.00 H new ATOM 0 HB2 MET A 40 11.234 12.091 -1.742 1.00 0.00 H new ATOM 0 HB3 MET A 40 11.866 10.904 -0.618 1.00 0.00 H new ATOM 0 HG2 MET A 40 11.239 10.438 -3.567 1.00 0.00 H new ATOM 0 HG3 MET A 40 12.835 10.579 -2.856 1.00 0.00 H new ATOM 0 HE1 MET A 40 13.011 7.291 -0.616 1.00 0.00 H new ATOM 0 HE2 MET A 40 13.650 8.934 -0.863 1.00 0.00 H new ATOM 0 HE3 MET A 40 12.117 8.697 0.009 1.00 0.00 H new ATOM 618 N ASN A 41 9.011 12.517 0.227 1.00 0.00 N ATOM 619 CA ASN A 41 8.608 13.289 1.426 1.00 0.00 C ATOM 620 C ASN A 41 7.276 12.770 2.008 1.00 0.00 C ATOM 621 O ASN A 41 7.152 12.579 3.219 1.00 0.00 O ATOM 622 CB ASN A 41 8.500 14.789 1.053 1.00 0.00 C ATOM 623 CG ASN A 41 9.857 15.396 0.695 1.00 0.00 C ATOM 624 OD1 ASN A 41 10.865 15.128 1.352 1.00 0.00 O ATOM 625 ND2 ASN A 41 9.898 16.184 -0.365 1.00 0.00 N ATOM 0 H ASN A 41 8.974 13.061 -0.635 1.00 0.00 H new ATOM 0 HA ASN A 41 9.367 13.162 2.198 1.00 0.00 H new ATOM 0 HB2 ASN A 41 7.819 14.903 0.210 1.00 0.00 H new ATOM 0 HB3 ASN A 41 8.067 15.339 1.889 1.00 0.00 H new ATOM 0 HD21 ASN A 41 10.784 16.592 -0.663 1.00 0.00 H new ATOM 0 HD22 ASN A 41 9.044 16.384 -0.885 1.00 0.00 H new ATOM 632 N LEU A 42 6.303 12.517 1.117 1.00 0.00 N ATOM 633 CA LEU A 42 4.959 12.028 1.487 1.00 0.00 C ATOM 634 C LEU A 42 5.043 10.603 2.094 1.00 0.00 C ATOM 635 O LEU A 42 4.424 10.319 3.123 1.00 0.00 O ATOM 636 CB LEU A 42 4.049 12.086 0.212 1.00 0.00 C ATOM 637 CG LEU A 42 2.505 11.857 0.379 1.00 0.00 C ATOM 638 CD1 LEU A 42 2.136 10.371 0.520 1.00 0.00 C ATOM 639 CD2 LEU A 42 1.938 12.695 1.548 1.00 0.00 C ATOM 0 H LEU A 42 6.425 12.646 0.113 1.00 0.00 H new ATOM 0 HA LEU A 42 4.519 12.660 2.259 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.190 13.062 -0.251 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.420 11.342 -0.493 1.00 0.00 H new ATOM 0 HG LEU A 42 2.037 12.203 -0.542 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.056 10.273 0.632 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.459 9.830 -0.370 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.631 9.955 1.397 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.867 12.515 1.639 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.434 12.408 2.475 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.113 13.753 1.355 1.00 0.00 H new ATOM 651 N ILE A 43 5.846 9.749 1.452 1.00 0.00 N ATOM 652 CA ILE A 43 6.013 8.322 1.807 1.00 0.00 C ATOM 653 C ILE A 43 6.614 8.175 3.215 1.00 0.00 C ATOM 654 O ILE A 43 6.065 7.439 4.044 1.00 0.00 O ATOM 655 CB ILE A 43 6.874 7.574 0.680 1.00 0.00 C ATOM 656 CG1 ILE A 43 5.949 6.924 -0.412 1.00 0.00 C ATOM 657 CG2 ILE A 43 7.865 6.524 1.245 1.00 0.00 C ATOM 658 CD1 ILE A 43 4.919 7.838 -1.055 1.00 0.00 C ATOM 0 H ILE A 43 6.414 10.029 0.652 1.00 0.00 H new ATOM 0 HA ILE A 43 5.036 7.840 1.840 1.00 0.00 H new ATOM 0 HB ILE A 43 7.480 8.352 0.216 1.00 0.00 H new ATOM 0 HG12 ILE A 43 6.584 6.517 -1.199 1.00 0.00 H new ATOM 0 HG13 ILE A 43 5.424 6.083 0.041 1.00 0.00 H new ATOM 0 HG21 ILE A 43 8.411 6.060 0.424 1.00 0.00 H new ATOM 0 HG22 ILE A 43 8.569 7.013 1.918 1.00 0.00 H new ATOM 0 HG23 ILE A 43 7.313 5.759 1.791 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.343 7.276 -1.790 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.249 8.227 -0.288 1.00 0.00 H new ATOM 0 HD13 ILE A 43 5.426 8.667 -1.548 1.00 0.00 H new ATOM 670 N VAL A 44 7.710 8.914 3.486 1.00 0.00 N ATOM 671 CA VAL A 44 8.402 8.843 4.779 1.00 0.00 C ATOM 672 C VAL A 44 7.526 9.404 5.920 1.00 0.00 C ATOM 673 O VAL A 44 7.647 8.953 7.061 1.00 0.00 O ATOM 674 CB VAL A 44 9.798 9.564 4.747 1.00 0.00 C ATOM 675 CG1 VAL A 44 10.743 8.896 3.717 1.00 0.00 C ATOM 676 CG2 VAL A 44 9.661 11.086 4.479 1.00 0.00 C ATOM 0 H VAL A 44 8.131 9.565 2.823 1.00 0.00 H new ATOM 0 HA VAL A 44 8.584 7.787 4.976 1.00 0.00 H new ATOM 0 HB VAL A 44 10.242 9.454 5.736 1.00 0.00 H new ATOM 0 HG11 VAL A 44 11.702 9.414 3.714 1.00 0.00 H new ATOM 0 HG12 VAL A 44 10.895 7.851 3.987 1.00 0.00 H new ATOM 0 HG13 VAL A 44 10.297 8.953 2.724 1.00 0.00 H new ATOM 0 HG21 VAL A 44 10.650 11.544 4.465 1.00 0.00 H new ATOM 0 HG22 VAL A 44 9.175 11.244 3.516 1.00 0.00 H new ATOM 0 HG23 VAL A 44 9.061 11.542 5.267 1.00 0.00 H new ATOM 686 N SER A 45 6.639 10.378 5.588 1.00 0.00 N ATOM 687 CA SER A 45 5.630 10.910 6.530 1.00 0.00 C ATOM 688 C SER A 45 4.666 9.793 6.990 1.00 0.00 C ATOM 689 O SER A 45 4.409 9.642 8.189 1.00 0.00 O ATOM 690 CB SER A 45 4.832 12.072 5.884 1.00 0.00 C ATOM 691 OG SER A 45 5.674 13.158 5.543 1.00 0.00 O ATOM 0 H SER A 45 6.606 10.811 4.665 1.00 0.00 H new ATOM 0 HA SER A 45 6.157 11.295 7.403 1.00 0.00 H new ATOM 0 HB2 SER A 45 4.323 11.711 4.990 1.00 0.00 H new ATOM 0 HB3 SER A 45 4.061 12.412 6.575 1.00 0.00 H new ATOM 0 HG SER A 45 6.181 12.937 4.734 1.00 0.00 H new ATOM 697 N LEU A 46 4.170 8.995 6.029 1.00 0.00 N ATOM 698 CA LEU A 46 3.215 7.903 6.311 1.00 0.00 C ATOM 699 C LEU A 46 3.874 6.809 7.172 1.00 0.00 C ATOM 700 O LEU A 46 3.279 6.309 8.132 1.00 0.00 O ATOM 701 CB LEU A 46 2.675 7.282 4.993 1.00 0.00 C ATOM 702 CG LEU A 46 2.043 8.264 3.960 1.00 0.00 C ATOM 703 CD1 LEU A 46 1.468 7.501 2.748 1.00 0.00 C ATOM 704 CD2 LEU A 46 0.987 9.175 4.621 1.00 0.00 C ATOM 0 H LEU A 46 4.415 9.085 5.043 1.00 0.00 H new ATOM 0 HA LEU A 46 2.378 8.330 6.864 1.00 0.00 H new ATOM 0 HB2 LEU A 46 3.495 6.756 4.504 1.00 0.00 H new ATOM 0 HB3 LEU A 46 1.926 6.533 5.252 1.00 0.00 H new ATOM 0 HG LEU A 46 2.835 8.914 3.588 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.034 8.211 2.044 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.266 6.944 2.257 1.00 0.00 H new ATOM 0 HD13 LEU A 46 0.698 6.808 3.086 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.567 9.847 3.873 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.192 8.562 5.046 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.456 9.760 5.412 1.00 0.00 H new ATOM 716 N GLU A 47 5.128 6.478 6.833 1.00 0.00 N ATOM 717 CA GLU A 47 5.876 5.404 7.503 1.00 0.00 C ATOM 718 C GLU A 47 6.082 5.695 8.993 1.00 0.00 C ATOM 719 O GLU A 47 5.753 4.864 9.834 1.00 0.00 O ATOM 720 CB GLU A 47 7.221 5.160 6.787 1.00 0.00 C ATOM 721 CG GLU A 47 7.060 4.637 5.353 1.00 0.00 C ATOM 722 CD GLU A 47 8.379 4.219 4.709 1.00 0.00 C ATOM 723 OE1 GLU A 47 9.154 5.105 4.286 1.00 0.00 O ATOM 724 OE2 GLU A 47 8.661 2.996 4.640 1.00 0.00 O ATOM 0 H GLU A 47 5.650 6.944 6.091 1.00 0.00 H new ATOM 0 HA GLU A 47 5.281 4.493 7.440 1.00 0.00 H new ATOM 0 HB2 GLU A 47 7.787 6.091 6.765 1.00 0.00 H new ATOM 0 HB3 GLU A 47 7.807 4.444 7.364 1.00 0.00 H new ATOM 0 HG2 GLU A 47 6.381 3.784 5.359 1.00 0.00 H new ATOM 0 HG3 GLU A 47 6.595 5.411 4.742 1.00 0.00 H new ATOM 731 N VAL A 48 6.593 6.894 9.315 1.00 0.00 N ATOM 732 CA VAL A 48 6.906 7.264 10.702 1.00 0.00 C ATOM 733 C VAL A 48 5.628 7.475 11.557 1.00 0.00 C ATOM 734 O VAL A 48 5.583 7.045 12.715 1.00 0.00 O ATOM 735 CB VAL A 48 7.831 8.534 10.771 1.00 0.00 C ATOM 736 CG1 VAL A 48 9.183 8.272 10.054 1.00 0.00 C ATOM 737 CG2 VAL A 48 7.136 9.798 10.200 1.00 0.00 C ATOM 0 H VAL A 48 6.798 7.623 8.632 1.00 0.00 H new ATOM 0 HA VAL A 48 7.452 6.422 11.127 1.00 0.00 H new ATOM 0 HB VAL A 48 8.030 8.729 11.825 1.00 0.00 H new ATOM 0 HG11 VAL A 48 9.806 9.164 10.115 1.00 0.00 H new ATOM 0 HG12 VAL A 48 9.695 7.439 10.536 1.00 0.00 H new ATOM 0 HG13 VAL A 48 8.999 8.029 9.008 1.00 0.00 H new ATOM 0 HG21 VAL A 48 7.814 10.649 10.269 1.00 0.00 H new ATOM 0 HG22 VAL A 48 6.873 9.628 9.156 1.00 0.00 H new ATOM 0 HG23 VAL A 48 6.232 10.007 10.773 1.00 0.00 H new ATOM 747 N HIS A 49 4.593 8.120 10.980 1.00 0.00 N ATOM 748 CA HIS A 49 3.346 8.454 11.711 1.00 0.00 C ATOM 749 C HIS A 49 2.519 7.209 12.055 1.00 0.00 C ATOM 750 O HIS A 49 2.124 7.033 13.217 1.00 0.00 O ATOM 751 CB HIS A 49 2.494 9.495 10.932 1.00 0.00 C ATOM 752 CG HIS A 49 2.972 10.913 11.111 1.00 0.00 C ATOM 753 ND1 HIS A 49 2.714 11.643 12.251 1.00 0.00 N ATOM 754 CD2 HIS A 49 3.707 11.723 10.318 1.00 0.00 C ATOM 755 CE1 HIS A 49 3.270 12.829 12.149 1.00 0.00 C ATOM 756 NE2 HIS A 49 3.880 12.904 10.988 1.00 0.00 N ATOM 0 H HIS A 49 4.594 8.422 10.006 1.00 0.00 H new ATOM 0 HA HIS A 49 3.649 8.905 12.656 1.00 0.00 H new ATOM 0 HB2 HIS A 49 2.509 9.245 9.871 1.00 0.00 H new ATOM 0 HB3 HIS A 49 1.457 9.424 11.261 1.00 0.00 H new ATOM 0 HD2 HIS A 49 4.088 11.483 9.336 1.00 0.00 H new ATOM 0 HE1 HIS A 49 3.232 13.610 12.894 1.00 0.00 H new ATOM 0 HE2 HIS A 49 4.398 13.711 10.642 1.00 0.00 H new ATOM 765 N TYR A 50 2.267 6.348 11.054 1.00 0.00 N ATOM 766 CA TYR A 50 1.479 5.110 11.250 1.00 0.00 C ATOM 767 C TYR A 50 2.356 3.969 11.808 1.00 0.00 C ATOM 768 O TYR A 50 1.817 2.933 12.184 1.00 0.00 O ATOM 769 CB TYR A 50 0.805 4.663 9.929 1.00 0.00 C ATOM 770 CG TYR A 50 -0.177 5.680 9.303 1.00 0.00 C ATOM 771 CD1 TYR A 50 0.266 6.633 8.388 1.00 0.00 C ATOM 772 CD2 TYR A 50 -1.544 5.673 9.613 1.00 0.00 C ATOM 773 CE1 TYR A 50 -0.595 7.535 7.805 1.00 0.00 C ATOM 774 CE2 TYR A 50 -2.415 6.580 9.023 1.00 0.00 C ATOM 775 CZ TYR A 50 -1.929 7.507 8.120 1.00 0.00 C ATOM 776 OH TYR A 50 -2.779 8.414 7.528 1.00 0.00 O ATOM 0 H TYR A 50 2.596 6.483 10.098 1.00 0.00 H new ATOM 0 HA TYR A 50 0.701 5.334 11.980 1.00 0.00 H new ATOM 0 HB2 TYR A 50 1.585 4.443 9.200 1.00 0.00 H new ATOM 0 HB3 TYR A 50 0.268 3.732 10.113 1.00 0.00 H new ATOM 0 HD1 TYR A 50 1.314 6.665 8.129 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -1.926 4.952 10.321 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -0.220 8.263 7.101 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -3.467 6.561 9.268 1.00 0.00 H new ATOM 0 HH TYR A 50 -3.467 7.935 7.020 1.00 0.00 H new ATOM 786 N LYS A 51 3.702 4.188 11.855 1.00 0.00 N ATOM 787 CA LYS A 51 4.720 3.187 12.300 1.00 0.00 C ATOM 788 C LYS A 51 4.814 2.003 11.305 1.00 0.00 C ATOM 789 O LYS A 51 5.246 0.911 11.673 1.00 0.00 O ATOM 790 CB LYS A 51 4.487 2.680 13.774 1.00 0.00 C ATOM 791 CG LYS A 51 4.931 3.647 14.900 1.00 0.00 C ATOM 792 CD LYS A 51 4.130 4.968 14.918 1.00 0.00 C ATOM 793 CE LYS A 51 4.581 5.939 16.018 1.00 0.00 C ATOM 794 NZ LYS A 51 3.824 7.217 15.961 1.00 0.00 N ATOM 0 H LYS A 51 4.117 5.078 11.581 1.00 0.00 H new ATOM 0 HA LYS A 51 5.678 3.707 12.306 1.00 0.00 H new ATOM 0 HB2 LYS A 51 3.425 2.468 13.901 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.018 1.737 13.901 1.00 0.00 H new ATOM 0 HG2 LYS A 51 4.819 3.149 15.863 1.00 0.00 H new ATOM 0 HG3 LYS A 51 5.990 3.873 14.779 1.00 0.00 H new ATOM 0 HD2 LYS A 51 4.228 5.457 13.949 1.00 0.00 H new ATOM 0 HD3 LYS A 51 3.073 4.741 15.055 1.00 0.00 H new ATOM 0 HE2 LYS A 51 4.440 5.475 16.994 1.00 0.00 H new ATOM 0 HE3 LYS A 51 5.647 6.141 15.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 4.491 8.015 15.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 3.240 7.236 15.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 3.211 7.295 16.798 1.00 0.00 H new ATOM 808 N ILE A 52 4.463 2.260 10.030 1.00 0.00 N ATOM 809 CA ILE A 52 4.392 1.231 8.959 1.00 0.00 C ATOM 810 C ILE A 52 5.648 1.303 8.057 1.00 0.00 C ATOM 811 O ILE A 52 6.452 2.225 8.199 1.00 0.00 O ATOM 812 CB ILE A 52 3.071 1.406 8.112 1.00 0.00 C ATOM 813 CG1 ILE A 52 3.004 2.816 7.440 1.00 0.00 C ATOM 814 CG2 ILE A 52 1.824 1.152 8.996 1.00 0.00 C ATOM 815 CD1 ILE A 52 1.718 3.107 6.676 1.00 0.00 C ATOM 0 H ILE A 52 4.217 3.195 9.705 1.00 0.00 H new ATOM 0 HA ILE A 52 4.366 0.245 9.422 1.00 0.00 H new ATOM 0 HB ILE A 52 3.084 0.665 7.312 1.00 0.00 H new ATOM 0 HG12 ILE A 52 3.130 3.576 8.212 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.846 2.915 6.755 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.922 1.277 8.397 1.00 0.00 H new ATOM 0 HG22 ILE A 52 1.859 0.137 9.392 1.00 0.00 H new ATOM 0 HG23 ILE A 52 1.812 1.863 9.822 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.768 4.108 6.247 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.596 2.376 5.877 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.869 3.046 7.357 1.00 0.00 H new ATOM 827 N LYS A 53 5.821 0.315 7.146 1.00 0.00 N ATOM 828 CA LYS A 53 6.986 0.259 6.221 1.00 0.00 C ATOM 829 C LYS A 53 6.563 -0.342 4.870 1.00 0.00 C ATOM 830 O LYS A 53 5.930 -1.397 4.834 1.00 0.00 O ATOM 831 CB LYS A 53 8.157 -0.565 6.869 1.00 0.00 C ATOM 832 CG LYS A 53 9.511 -0.586 6.086 1.00 0.00 C ATOM 833 CD LYS A 53 9.598 -1.682 4.983 1.00 0.00 C ATOM 834 CE LYS A 53 10.953 -1.702 4.252 1.00 0.00 C ATOM 835 NZ LYS A 53 11.034 -2.815 3.273 1.00 0.00 N ATOM 0 H LYS A 53 5.167 -0.459 7.030 1.00 0.00 H new ATOM 0 HA LYS A 53 7.347 1.272 6.042 1.00 0.00 H new ATOM 0 HB2 LYS A 53 8.345 -0.165 7.865 1.00 0.00 H new ATOM 0 HB3 LYS A 53 7.821 -1.594 6.997 1.00 0.00 H new ATOM 0 HG2 LYS A 53 9.666 0.390 5.625 1.00 0.00 H new ATOM 0 HG3 LYS A 53 10.325 -0.736 6.795 1.00 0.00 H new ATOM 0 HD2 LYS A 53 9.422 -2.658 5.435 1.00 0.00 H new ATOM 0 HD3 LYS A 53 8.803 -1.520 4.256 1.00 0.00 H new ATOM 0 HE2 LYS A 53 11.102 -0.753 3.737 1.00 0.00 H new ATOM 0 HE3 LYS A 53 11.758 -1.799 4.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 11.961 -2.795 2.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 10.917 -3.722 3.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 10.282 -2.708 2.563 1.00 0.00 H new ATOM 849 N PHE A 54 6.945 0.340 3.770 1.00 0.00 N ATOM 850 CA PHE A 54 6.737 -0.132 2.381 1.00 0.00 C ATOM 851 C PHE A 54 8.035 -0.001 1.580 1.00 0.00 C ATOM 852 O PHE A 54 8.928 0.779 1.932 1.00 0.00 O ATOM 853 CB PHE A 54 5.541 0.594 1.662 1.00 0.00 C ATOM 854 CG PHE A 54 5.134 1.953 2.235 1.00 0.00 C ATOM 855 CD1 PHE A 54 4.301 2.033 3.350 1.00 0.00 C ATOM 856 CD2 PHE A 54 5.525 3.142 1.629 1.00 0.00 C ATOM 857 CE1 PHE A 54 3.883 3.250 3.833 1.00 0.00 C ATOM 858 CE2 PHE A 54 5.092 4.355 2.115 1.00 0.00 C ATOM 859 CZ PHE A 54 4.270 4.412 3.214 1.00 0.00 C ATOM 0 H PHE A 54 7.412 1.245 3.820 1.00 0.00 H new ATOM 0 HA PHE A 54 6.460 -1.185 2.433 1.00 0.00 H new ATOM 0 HB2 PHE A 54 5.803 0.729 0.613 1.00 0.00 H new ATOM 0 HB3 PHE A 54 4.673 -0.064 1.692 1.00 0.00 H new ATOM 0 HD1 PHE A 54 3.980 1.126 3.841 1.00 0.00 H new ATOM 0 HD2 PHE A 54 6.176 3.113 0.767 1.00 0.00 H new ATOM 0 HE1 PHE A 54 3.246 3.292 4.704 1.00 0.00 H new ATOM 0 HE2 PHE A 54 5.401 5.268 1.629 1.00 0.00 H new ATOM 0 HZ PHE A 54 3.930 5.366 3.589 1.00 0.00 H new ATOM 869 N ALA A 55 8.114 -0.806 0.519 1.00 0.00 N ATOM 870 CA ALA A 55 9.240 -0.834 -0.417 1.00 0.00 C ATOM 871 C ALA A 55 8.840 -0.102 -1.707 1.00 0.00 C ATOM 872 O ALA A 55 7.657 -0.037 -2.036 1.00 0.00 O ATOM 873 CB ALA A 55 9.640 -2.295 -0.716 1.00 0.00 C ATOM 0 H ALA A 55 7.380 -1.472 0.281 1.00 0.00 H new ATOM 0 HA ALA A 55 10.101 -0.331 0.024 1.00 0.00 H new ATOM 0 HB1 ALA A 55 10.478 -2.307 -1.413 1.00 0.00 H new ATOM 0 HB2 ALA A 55 9.931 -2.789 0.211 1.00 0.00 H new ATOM 0 HB3 ALA A 55 8.793 -2.821 -1.157 1.00 0.00 H new ATOM 879 N LEU A 56 9.846 0.387 -2.457 1.00 0.00 N ATOM 880 CA LEU A 56 9.634 1.167 -3.702 1.00 0.00 C ATOM 881 C LEU A 56 9.027 0.239 -4.794 1.00 0.00 C ATOM 882 O LEU A 56 8.318 0.709 -5.681 1.00 0.00 O ATOM 883 CB LEU A 56 10.983 1.818 -4.165 1.00 0.00 C ATOM 884 CG LEU A 56 10.918 3.132 -5.034 1.00 0.00 C ATOM 885 CD1 LEU A 56 10.398 2.901 -6.466 1.00 0.00 C ATOM 886 CD2 LEU A 56 10.116 4.244 -4.318 1.00 0.00 C ATOM 0 H LEU A 56 10.830 0.255 -2.221 1.00 0.00 H new ATOM 0 HA LEU A 56 8.930 1.979 -3.520 1.00 0.00 H new ATOM 0 HB2 LEU A 56 11.570 2.038 -3.273 1.00 0.00 H new ATOM 0 HB3 LEU A 56 11.535 1.070 -4.734 1.00 0.00 H new ATOM 0 HG LEU A 56 11.950 3.467 -5.141 1.00 0.00 H new ATOM 0 HD11 LEU A 56 10.381 3.849 -7.004 1.00 0.00 H new ATOM 0 HD12 LEU A 56 11.055 2.202 -6.983 1.00 0.00 H new ATOM 0 HD13 LEU A 56 9.390 2.489 -6.425 1.00 0.00 H new ATOM 0 HD21 LEU A 56 10.091 5.136 -4.945 1.00 0.00 H new ATOM 0 HD22 LEU A 56 9.098 3.899 -4.137 1.00 0.00 H new ATOM 0 HD23 LEU A 56 10.593 4.482 -3.367 1.00 0.00 H new ATOM 898 N GLY A 57 9.287 -1.086 -4.680 1.00 0.00 N ATOM 899 CA GLY A 57 8.636 -2.096 -5.529 1.00 0.00 C ATOM 900 C GLY A 57 7.117 -2.150 -5.325 1.00 0.00 C ATOM 901 O GLY A 57 6.356 -2.353 -6.282 1.00 0.00 O ATOM 0 H GLY A 57 9.946 -1.474 -4.005 1.00 0.00 H new ATOM 0 HA2 GLY A 57 8.851 -1.878 -6.575 1.00 0.00 H new ATOM 0 HA3 GLY A 57 9.063 -3.076 -5.313 1.00 0.00 H new ATOM 905 N GLU A 58 6.679 -1.942 -4.063 1.00 0.00 N ATOM 906 CA GLU A 58 5.243 -1.812 -3.709 1.00 0.00 C ATOM 907 C GLU A 58 4.677 -0.458 -4.193 1.00 0.00 C ATOM 908 O GLU A 58 3.494 -0.358 -4.511 1.00 0.00 O ATOM 909 CB GLU A 58 5.029 -1.972 -2.176 1.00 0.00 C ATOM 910 CG GLU A 58 5.438 -3.351 -1.622 1.00 0.00 C ATOM 911 CD GLU A 58 5.171 -3.488 -0.114 1.00 0.00 C ATOM 912 OE1 GLU A 58 6.041 -3.101 0.694 1.00 0.00 O ATOM 913 OE2 GLU A 58 4.074 -3.958 0.278 1.00 0.00 O ATOM 0 H GLU A 58 7.306 -1.859 -3.263 1.00 0.00 H new ATOM 0 HA GLU A 58 4.702 -2.612 -4.215 1.00 0.00 H new ATOM 0 HB2 GLU A 58 5.600 -1.201 -1.658 1.00 0.00 H new ATOM 0 HB3 GLU A 58 3.978 -1.798 -1.947 1.00 0.00 H new ATOM 0 HG2 GLU A 58 4.892 -4.129 -2.156 1.00 0.00 H new ATOM 0 HG3 GLU A 58 6.498 -3.516 -1.816 1.00 0.00 H new ATOM 920 N LEU A 59 5.551 0.568 -4.274 1.00 0.00 N ATOM 921 CA LEU A 59 5.206 1.904 -4.828 1.00 0.00 C ATOM 922 C LEU A 59 4.963 1.827 -6.348 1.00 0.00 C ATOM 923 O LEU A 59 4.171 2.595 -6.892 1.00 0.00 O ATOM 924 CB LEU A 59 6.323 2.950 -4.501 1.00 0.00 C ATOM 925 CG LEU A 59 6.223 3.681 -3.125 1.00 0.00 C ATOM 926 CD1 LEU A 59 5.027 4.633 -3.109 1.00 0.00 C ATOM 927 CD2 LEU A 59 6.153 2.697 -1.945 1.00 0.00 C ATOM 0 H LEU A 59 6.518 0.498 -3.958 1.00 0.00 H new ATOM 0 HA LEU A 59 4.281 2.233 -4.353 1.00 0.00 H new ATOM 0 HB2 LEU A 59 7.287 2.443 -4.547 1.00 0.00 H new ATOM 0 HB3 LEU A 59 6.322 3.705 -5.287 1.00 0.00 H new ATOM 0 HG LEU A 59 7.137 4.262 -3.001 1.00 0.00 H new ATOM 0 HD11 LEU A 59 4.973 5.134 -2.142 1.00 0.00 H new ATOM 0 HD12 LEU A 59 5.144 5.377 -3.897 1.00 0.00 H new ATOM 0 HD13 LEU A 59 4.110 4.068 -3.277 1.00 0.00 H new ATOM 0 HD21 LEU A 59 6.085 3.254 -1.010 1.00 0.00 H new ATOM 0 HD22 LEU A 59 5.275 2.061 -2.053 1.00 0.00 H new ATOM 0 HD23 LEU A 59 7.050 2.078 -1.934 1.00 0.00 H new ATOM 939 N GLN A 60 5.652 0.890 -7.023 1.00 0.00 N ATOM 940 CA GLN A 60 5.423 0.612 -8.453 1.00 0.00 C ATOM 941 C GLN A 60 4.080 -0.121 -8.655 1.00 0.00 C ATOM 942 O GLN A 60 3.499 -0.081 -9.742 1.00 0.00 O ATOM 943 CB GLN A 60 6.599 -0.213 -9.038 1.00 0.00 C ATOM 944 CG GLN A 60 7.990 0.451 -8.905 1.00 0.00 C ATOM 945 CD GLN A 60 8.045 1.869 -9.491 1.00 0.00 C ATOM 946 OE1 GLN A 60 8.322 2.054 -10.678 1.00 0.00 O ATOM 947 NE2 GLN A 60 7.791 2.877 -8.658 1.00 0.00 N ATOM 0 H GLN A 60 6.376 0.310 -6.599 1.00 0.00 H new ATOM 0 HA GLN A 60 5.373 1.560 -8.988 1.00 0.00 H new ATOM 0 HB2 GLN A 60 6.626 -1.183 -8.541 1.00 0.00 H new ATOM 0 HB3 GLN A 60 6.402 -0.402 -10.093 1.00 0.00 H new ATOM 0 HG2 GLN A 60 8.267 0.490 -7.852 1.00 0.00 H new ATOM 0 HG3 GLN A 60 8.731 -0.171 -9.407 1.00 0.00 H new ATOM 0 HE21 GLN A 60 7.565 2.687 -7.682 1.00 0.00 H new ATOM 0 HE22 GLN A 60 7.822 3.839 -8.997 1.00 0.00 H new ATOM 956 N LYS A 61 3.597 -0.781 -7.587 1.00 0.00 N ATOM 957 CA LYS A 61 2.263 -1.414 -7.554 1.00 0.00 C ATOM 958 C LYS A 61 1.159 -0.387 -7.221 1.00 0.00 C ATOM 959 O LYS A 61 -0.029 -0.730 -7.240 1.00 0.00 O ATOM 960 CB LYS A 61 2.252 -2.587 -6.529 1.00 0.00 C ATOM 961 CG LYS A 61 3.050 -3.833 -6.980 1.00 0.00 C ATOM 962 CD LYS A 61 2.443 -4.471 -8.256 1.00 0.00 C ATOM 963 CE LYS A 61 3.126 -5.783 -8.677 1.00 0.00 C ATOM 964 NZ LYS A 61 2.447 -6.383 -9.852 1.00 0.00 N ATOM 0 H LYS A 61 4.121 -0.892 -6.719 1.00 0.00 H new ATOM 0 HA LYS A 61 2.052 -1.811 -8.547 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.660 -2.231 -5.583 1.00 0.00 H new ATOM 0 HB3 LYS A 61 1.219 -2.880 -6.341 1.00 0.00 H new ATOM 0 HG2 LYS A 61 4.086 -3.552 -7.171 1.00 0.00 H new ATOM 0 HG3 LYS A 61 3.062 -4.568 -6.176 1.00 0.00 H new ATOM 0 HD2 LYS A 61 1.383 -4.662 -8.087 1.00 0.00 H new ATOM 0 HD3 LYS A 61 2.512 -3.757 -9.076 1.00 0.00 H new ATOM 0 HE2 LYS A 61 4.172 -5.592 -8.915 1.00 0.00 H new ATOM 0 HE3 LYS A 61 3.112 -6.488 -7.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 2.927 -7.267 -10.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 1.455 -6.585 -9.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 2.483 -5.718 -10.651 1.00 0.00 H new ATOM 978 N LEU A 62 1.558 0.863 -6.904 1.00 0.00 N ATOM 979 CA LEU A 62 0.621 1.979 -6.662 1.00 0.00 C ATOM 980 C LEU A 62 0.623 2.889 -7.889 1.00 0.00 C ATOM 981 O LEU A 62 1.688 3.320 -8.313 1.00 0.00 O ATOM 982 CB LEU A 62 1.041 2.807 -5.413 1.00 0.00 C ATOM 983 CG LEU A 62 1.389 1.992 -4.138 1.00 0.00 C ATOM 984 CD1 LEU A 62 1.730 2.918 -2.964 1.00 0.00 C ATOM 985 CD2 LEU A 62 0.274 0.987 -3.773 1.00 0.00 C ATOM 0 H LEU A 62 2.539 1.126 -6.809 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.373 1.570 -6.481 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.906 3.414 -5.679 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.232 3.495 -5.170 1.00 0.00 H new ATOM 0 HG LEU A 62 2.279 1.404 -4.360 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.969 2.319 -2.086 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.588 3.537 -3.226 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.875 3.558 -2.745 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.558 0.438 -2.875 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.656 1.526 -3.590 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.131 0.287 -4.596 1.00 0.00 H new ATOM 997 N LYS A 63 -0.550 3.166 -8.465 1.00 0.00 N ATOM 998 CA LYS A 63 -0.686 4.086 -9.610 1.00 0.00 C ATOM 999 C LYS A 63 -1.385 5.383 -9.142 1.00 0.00 C ATOM 1000 O LYS A 63 -1.164 6.459 -9.705 1.00 0.00 O ATOM 1001 CB LYS A 63 -1.460 3.356 -10.759 1.00 0.00 C ATOM 1002 CG LYS A 63 -1.251 3.918 -12.194 1.00 0.00 C ATOM 1003 CD LYS A 63 -2.079 5.194 -12.512 1.00 0.00 C ATOM 1004 CE LYS A 63 -1.821 5.719 -13.932 1.00 0.00 C ATOM 1005 NZ LYS A 63 -2.658 6.897 -14.265 1.00 0.00 N ATOM 0 H LYS A 63 -1.434 2.762 -8.155 1.00 0.00 H new ATOM 0 HA LYS A 63 0.289 4.372 -10.004 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.167 2.306 -10.756 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -2.525 3.390 -10.530 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.193 4.142 -12.332 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -1.510 3.143 -12.916 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -3.140 4.974 -12.396 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -1.834 5.972 -11.789 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -0.769 5.986 -14.031 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -2.017 4.923 -14.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -2.445 7.212 -15.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -3.663 6.639 -14.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -2.453 7.668 -13.598 1.00 0.00 H new ATOM 1019 N ASN A 64 -2.194 5.276 -8.070 1.00 0.00 N ATOM 1020 CA ASN A 64 -3.022 6.395 -7.556 1.00 0.00 C ATOM 1021 C ASN A 64 -2.932 6.505 -6.021 1.00 0.00 C ATOM 1022 O ASN A 64 -2.325 5.660 -5.361 1.00 0.00 O ATOM 1023 CB ASN A 64 -4.506 6.199 -7.972 1.00 0.00 C ATOM 1024 CG ASN A 64 -4.721 6.113 -9.485 1.00 0.00 C ATOM 1025 OD1 ASN A 64 -4.912 7.121 -10.149 1.00 0.00 O ATOM 1026 ND2 ASN A 64 -4.665 4.906 -10.035 1.00 0.00 N ATOM 0 H ASN A 64 -2.295 4.414 -7.534 1.00 0.00 H new ATOM 0 HA ASN A 64 -2.636 7.317 -7.991 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -4.885 5.288 -7.509 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -5.096 7.027 -7.578 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -4.783 4.799 -11.042 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -4.504 4.086 -9.450 1.00 0.00 H new ATOM 1033 N VAL A 65 -3.556 7.581 -5.489 1.00 0.00 N ATOM 1034 CA VAL A 65 -3.746 7.818 -4.043 1.00 0.00 C ATOM 1035 C VAL A 65 -4.661 6.747 -3.437 1.00 0.00 C ATOM 1036 O VAL A 65 -4.523 6.415 -2.278 1.00 0.00 O ATOM 1037 CB VAL A 65 -4.380 9.229 -3.743 1.00 0.00 C ATOM 1038 CG1 VAL A 65 -4.450 9.498 -2.218 1.00 0.00 C ATOM 1039 CG2 VAL A 65 -3.614 10.359 -4.454 1.00 0.00 C ATOM 0 H VAL A 65 -3.949 8.324 -6.067 1.00 0.00 H new ATOM 0 HA VAL A 65 -2.753 7.776 -3.595 1.00 0.00 H new ATOM 0 HB VAL A 65 -5.396 9.214 -4.137 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -4.892 10.479 -2.041 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -5.063 8.733 -1.741 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -3.445 9.472 -1.797 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -4.081 11.316 -4.223 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -2.579 10.368 -4.112 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -3.639 10.194 -5.531 1.00 0.00 H new ATOM 1049 N GLY A 66 -5.613 6.240 -4.242 1.00 0.00 N ATOM 1050 CA GLY A 66 -6.496 5.147 -3.821 1.00 0.00 C ATOM 1051 C GLY A 66 -5.751 3.833 -3.664 1.00 0.00 C ATOM 1052 O GLY A 66 -6.072 3.032 -2.789 1.00 0.00 O ATOM 0 H GLY A 66 -5.787 6.574 -5.190 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -6.969 5.409 -2.875 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -7.294 5.025 -4.553 1.00 0.00 H new ATOM 1056 N ASP A 67 -4.746 3.620 -4.533 1.00 0.00 N ATOM 1057 CA ASP A 67 -3.803 2.496 -4.406 1.00 0.00 C ATOM 1058 C ASP A 67 -2.940 2.684 -3.157 1.00 0.00 C ATOM 1059 O ASP A 67 -2.688 1.729 -2.434 1.00 0.00 O ATOM 1060 CB ASP A 67 -2.897 2.367 -5.657 1.00 0.00 C ATOM 1061 CG ASP A 67 -3.672 1.976 -6.920 1.00 0.00 C ATOM 1062 OD1 ASP A 67 -4.139 0.820 -6.998 1.00 0.00 O ATOM 1063 OD2 ASP A 67 -3.805 2.805 -7.842 1.00 0.00 O ATOM 0 H ASP A 67 -4.566 4.219 -5.339 1.00 0.00 H new ATOM 0 HA ASP A 67 -4.384 1.578 -4.318 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -2.387 3.315 -5.829 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -2.126 1.621 -5.465 1.00 0.00 H new ATOM 1068 N LEU A 68 -2.496 3.934 -2.925 1.00 0.00 N ATOM 1069 CA LEU A 68 -1.697 4.322 -1.739 1.00 0.00 C ATOM 1070 C LEU A 68 -2.545 4.269 -0.443 1.00 0.00 C ATOM 1071 O LEU A 68 -2.017 4.036 0.641 1.00 0.00 O ATOM 1072 CB LEU A 68 -1.110 5.746 -1.962 1.00 0.00 C ATOM 1073 CG LEU A 68 -0.250 6.358 -0.805 1.00 0.00 C ATOM 1074 CD1 LEU A 68 0.987 5.486 -0.468 1.00 0.00 C ATOM 1075 CD2 LEU A 68 0.159 7.804 -1.148 1.00 0.00 C ATOM 0 H LEU A 68 -2.681 4.712 -3.558 1.00 0.00 H new ATOM 0 HA LEU A 68 -0.881 3.610 -1.615 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -0.495 5.720 -2.862 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -1.939 6.425 -2.162 1.00 0.00 H new ATOM 0 HG LEU A 68 -0.870 6.376 0.092 1.00 0.00 H new ATOM 0 HD11 LEU A 68 1.551 5.952 0.340 1.00 0.00 H new ATOM 0 HD12 LEU A 68 0.659 4.494 -0.157 1.00 0.00 H new ATOM 0 HD13 LEU A 68 1.621 5.398 -1.350 1.00 0.00 H new ATOM 0 HD21 LEU A 68 0.756 8.216 -0.334 1.00 0.00 H new ATOM 0 HD22 LEU A 68 0.746 7.808 -2.067 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -0.735 8.412 -1.286 1.00 0.00 H new ATOM 1087 N ALA A 69 -3.858 4.468 -0.583 1.00 0.00 N ATOM 1088 CA ALA A 69 -4.823 4.403 0.530 1.00 0.00 C ATOM 1089 C ALA A 69 -5.021 2.947 0.929 1.00 0.00 C ATOM 1090 O ALA A 69 -4.974 2.593 2.107 1.00 0.00 O ATOM 1091 CB ALA A 69 -6.159 5.052 0.116 1.00 0.00 C ATOM 0 H ALA A 69 -4.291 4.682 -1.481 1.00 0.00 H new ATOM 0 HA ALA A 69 -4.438 4.956 1.387 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -6.863 4.997 0.947 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -5.990 6.096 -0.148 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -6.570 4.522 -0.743 1.00 0.00 H new ATOM 1097 N ASP A 70 -5.200 2.126 -0.111 1.00 0.00 N ATOM 1098 CA ASP A 70 -5.283 0.664 -0.011 1.00 0.00 C ATOM 1099 C ASP A 70 -3.976 0.099 0.571 1.00 0.00 C ATOM 1100 O ASP A 70 -4.006 -0.836 1.355 1.00 0.00 O ATOM 1101 CB ASP A 70 -5.558 0.058 -1.413 1.00 0.00 C ATOM 1102 CG ASP A 70 -5.735 -1.471 -1.395 1.00 0.00 C ATOM 1103 OD1 ASP A 70 -4.729 -2.210 -1.500 1.00 0.00 O ATOM 1104 OD2 ASP A 70 -6.881 -1.947 -1.273 1.00 0.00 O ATOM 0 H ASP A 70 -5.293 2.467 -1.068 1.00 0.00 H new ATOM 0 HA ASP A 70 -6.103 0.396 0.656 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -6.456 0.515 -1.828 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -4.733 0.313 -2.079 1.00 0.00 H new ATOM 1109 N LEU A 71 -2.849 0.720 0.187 1.00 0.00 N ATOM 1110 CA LEU A 71 -1.497 0.343 0.642 1.00 0.00 C ATOM 1111 C LEU A 71 -1.376 0.554 2.158 1.00 0.00 C ATOM 1112 O LEU A 71 -1.027 -0.379 2.881 1.00 0.00 O ATOM 1113 CB LEU A 71 -0.443 1.166 -0.169 1.00 0.00 C ATOM 1114 CG LEU A 71 1.090 1.005 0.135 1.00 0.00 C ATOM 1115 CD1 LEU A 71 1.539 1.842 1.344 1.00 0.00 C ATOM 1116 CD2 LEU A 71 1.498 -0.477 0.271 1.00 0.00 C ATOM 0 H LEU A 71 -2.849 1.510 -0.458 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.309 -0.715 0.457 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -0.590 0.930 -1.223 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -0.689 2.220 -0.042 1.00 0.00 H new ATOM 0 HG LEU A 71 1.622 1.403 -0.729 1.00 0.00 H new ATOM 0 HD11 LEU A 71 2.606 1.695 1.512 1.00 0.00 H new ATOM 0 HD12 LEU A 71 1.344 2.897 1.149 1.00 0.00 H new ATOM 0 HD13 LEU A 71 0.986 1.528 2.229 1.00 0.00 H new ATOM 0 HD21 LEU A 71 2.566 -0.543 0.481 1.00 0.00 H new ATOM 0 HD22 LEU A 71 0.939 -0.935 1.087 1.00 0.00 H new ATOM 0 HD23 LEU A 71 1.278 -1.002 -0.659 1.00 0.00 H new ATOM 1128 N VAL A 72 -1.673 1.791 2.616 1.00 0.00 N ATOM 1129 CA VAL A 72 -1.642 2.160 4.049 1.00 0.00 C ATOM 1130 C VAL A 72 -2.625 1.269 4.836 1.00 0.00 C ATOM 1131 O VAL A 72 -2.307 0.826 5.921 1.00 0.00 O ATOM 1132 CB VAL A 72 -1.961 3.697 4.265 1.00 0.00 C ATOM 1133 CG1 VAL A 72 -2.057 4.070 5.769 1.00 0.00 C ATOM 1134 CG2 VAL A 72 -0.900 4.575 3.557 1.00 0.00 C ATOM 0 H VAL A 72 -1.941 2.561 2.003 1.00 0.00 H new ATOM 0 HA VAL A 72 -0.633 1.992 4.427 1.00 0.00 H new ATOM 0 HB VAL A 72 -2.938 3.890 3.821 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -2.277 5.133 5.867 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -2.852 3.490 6.238 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -1.109 3.849 6.260 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -1.134 5.628 3.715 1.00 0.00 H new ATOM 0 HG22 VAL A 72 0.086 4.357 3.968 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -0.904 4.359 2.489 1.00 0.00 H new ATOM 1144 N ASP A 73 -3.772 0.956 4.211 1.00 0.00 N ATOM 1145 CA ASP A 73 -4.798 0.025 4.742 1.00 0.00 C ATOM 1146 C ASP A 73 -4.221 -1.403 4.951 1.00 0.00 C ATOM 1147 O ASP A 73 -4.478 -2.045 5.974 1.00 0.00 O ATOM 1148 CB ASP A 73 -6.014 0.014 3.763 1.00 0.00 C ATOM 1149 CG ASP A 73 -6.951 -1.191 3.915 1.00 0.00 C ATOM 1150 OD1 ASP A 73 -7.796 -1.195 4.835 1.00 0.00 O ATOM 1151 OD2 ASP A 73 -6.823 -2.161 3.132 1.00 0.00 O ATOM 0 H ASP A 73 -4.023 1.348 3.303 1.00 0.00 H new ATOM 0 HA ASP A 73 -5.125 0.369 5.723 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -6.591 0.926 3.913 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -5.639 0.038 2.740 1.00 0.00 H new ATOM 1156 N LYS A 74 -3.427 -1.860 3.964 1.00 0.00 N ATOM 1157 CA LYS A 74 -2.781 -3.192 3.992 1.00 0.00 C ATOM 1158 C LYS A 74 -1.679 -3.240 5.060 1.00 0.00 C ATOM 1159 O LYS A 74 -1.470 -4.282 5.688 1.00 0.00 O ATOM 1160 CB LYS A 74 -2.193 -3.575 2.601 1.00 0.00 C ATOM 1161 CG LYS A 74 -3.252 -3.801 1.500 1.00 0.00 C ATOM 1162 CD LYS A 74 -4.257 -4.927 1.841 1.00 0.00 C ATOM 1163 CE LYS A 74 -5.413 -5.010 0.834 1.00 0.00 C ATOM 1164 NZ LYS A 74 -6.207 -3.752 0.809 1.00 0.00 N ATOM 0 H LYS A 74 -3.214 -1.320 3.125 1.00 0.00 H new ATOM 0 HA LYS A 74 -3.552 -3.920 4.245 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -1.514 -2.786 2.278 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -1.599 -4.483 2.709 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -3.799 -2.873 1.335 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -2.748 -4.044 0.565 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -3.732 -5.882 1.866 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -4.661 -4.759 2.839 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -5.016 -5.211 -0.161 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -6.063 -5.846 1.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -7.161 -3.936 1.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -5.738 -3.034 1.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -6.278 -3.406 -0.169 1.00 0.00 H new ATOM 1178 N LYS A 75 -0.996 -2.100 5.262 1.00 0.00 N ATOM 1179 CA LYS A 75 0.054 -1.946 6.282 1.00 0.00 C ATOM 1180 C LYS A 75 -0.563 -1.934 7.689 1.00 0.00 C ATOM 1181 O LYS A 75 -0.041 -2.561 8.628 1.00 0.00 O ATOM 1182 CB LYS A 75 0.855 -0.648 6.016 1.00 0.00 C ATOM 1183 CG LYS A 75 1.598 -0.620 4.666 1.00 0.00 C ATOM 1184 CD LYS A 75 2.584 -1.796 4.523 1.00 0.00 C ATOM 1185 CE LYS A 75 3.248 -1.849 3.147 1.00 0.00 C ATOM 1186 NZ LYS A 75 4.212 -2.962 3.047 1.00 0.00 N ATOM 0 H LYS A 75 -1.159 -1.253 4.717 1.00 0.00 H new ATOM 0 HA LYS A 75 0.737 -2.793 6.224 1.00 0.00 H new ATOM 0 HB2 LYS A 75 0.172 0.200 6.058 1.00 0.00 H new ATOM 0 HB3 LYS A 75 1.580 -0.513 6.818 1.00 0.00 H new ATOM 0 HG2 LYS A 75 0.873 -0.654 3.853 1.00 0.00 H new ATOM 0 HG3 LYS A 75 2.140 0.321 4.570 1.00 0.00 H new ATOM 0 HD2 LYS A 75 3.354 -1.714 5.290 1.00 0.00 H new ATOM 0 HD3 LYS A 75 2.055 -2.732 4.702 1.00 0.00 H new ATOM 0 HE2 LYS A 75 2.483 -1.960 2.378 1.00 0.00 H new ATOM 0 HE3 LYS A 75 3.760 -0.906 2.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 4.874 -2.779 2.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 4.742 -3.043 3.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 3.700 -3.849 2.867 1.00 0.00 H new ATOM 1200 N LEU A 76 -1.701 -1.240 7.808 1.00 0.00 N ATOM 1201 CA LEU A 76 -2.495 -1.220 9.033 1.00 0.00 C ATOM 1202 C LEU A 76 -3.031 -2.632 9.305 1.00 0.00 C ATOM 1203 O LEU A 76 -3.126 -3.015 10.439 1.00 0.00 O ATOM 1204 CB LEU A 76 -3.654 -0.186 8.958 1.00 0.00 C ATOM 1205 CG LEU A 76 -3.234 1.319 8.834 1.00 0.00 C ATOM 1206 CD1 LEU A 76 -4.472 2.237 8.720 1.00 0.00 C ATOM 1207 CD2 LEU A 76 -2.299 1.751 9.992 1.00 0.00 C ATOM 0 H LEU A 76 -2.094 -0.677 7.054 1.00 0.00 H new ATOM 0 HA LEU A 76 -1.855 -0.908 9.858 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -4.282 -0.438 8.104 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.270 -0.297 9.850 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.663 1.426 7.912 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -4.149 3.275 8.635 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -5.048 1.963 7.836 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -5.093 2.122 9.608 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -2.030 2.800 9.870 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -2.812 1.616 10.944 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.396 1.141 9.977 1.00 0.00 H new ATOM 1219 N ALA A 77 -3.309 -3.417 8.238 1.00 0.00 N ATOM 1220 CA ALA A 77 -3.759 -4.824 8.363 1.00 0.00 C ATOM 1221 C ALA A 77 -2.618 -5.719 8.891 1.00 0.00 C ATOM 1222 O ALA A 77 -2.869 -6.681 9.623 1.00 0.00 O ATOM 1223 CB ALA A 77 -4.294 -5.353 7.021 1.00 0.00 C ATOM 0 H ALA A 77 -3.229 -3.096 7.273 1.00 0.00 H new ATOM 0 HA ALA A 77 -4.575 -4.854 9.085 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -4.617 -6.387 7.140 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -5.139 -4.743 6.700 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -3.505 -5.304 6.270 1.00 0.00 H new ATOM 1229 N ARG A 78 -1.357 -5.386 8.515 1.00 0.00 N ATOM 1230 CA ARG A 78 -0.151 -6.070 9.058 1.00 0.00 C ATOM 1231 C ARG A 78 -0.023 -5.808 10.581 1.00 0.00 C ATOM 1232 O ARG A 78 0.586 -6.600 11.302 1.00 0.00 O ATOM 1233 CB ARG A 78 1.154 -5.617 8.338 1.00 0.00 C ATOM 1234 CG ARG A 78 1.144 -5.724 6.795 1.00 0.00 C ATOM 1235 CD ARG A 78 0.828 -7.135 6.266 1.00 0.00 C ATOM 1236 NE ARG A 78 0.847 -7.179 4.782 1.00 0.00 N ATOM 1237 CZ ARG A 78 0.164 -8.045 4.009 1.00 0.00 C ATOM 1238 NH1 ARG A 78 -0.655 -8.952 4.537 1.00 0.00 N ATOM 1239 NH2 ARG A 78 0.296 -7.976 2.693 1.00 0.00 N ATOM 0 H ARG A 78 -1.147 -4.651 7.840 1.00 0.00 H new ATOM 0 HA ARG A 78 -0.279 -7.137 8.878 1.00 0.00 H new ATOM 0 HB2 ARG A 78 1.356 -4.581 8.610 1.00 0.00 H new ATOM 0 HB3 ARG A 78 1.983 -6.214 8.719 1.00 0.00 H new ATOM 0 HG2 ARG A 78 0.408 -5.025 6.398 1.00 0.00 H new ATOM 0 HG3 ARG A 78 2.117 -5.414 6.413 1.00 0.00 H new ATOM 0 HD2 ARG A 78 1.556 -7.844 6.661 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -0.151 -7.449 6.627 1.00 0.00 H new ATOM 0 HE ARG A 78 1.430 -6.491 4.305 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -0.776 -9.002 5.549 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -1.161 -9.597 3.930 1.00 0.00 H new ATOM 0 HH21 ARG A 78 0.908 -7.274 2.278 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -0.215 -8.625 2.094 1.00 0.00 H new ATOM 1253 N LYS A 79 -0.622 -4.686 11.039 1.00 0.00 N ATOM 1254 CA LYS A 79 -0.689 -4.317 12.473 1.00 0.00 C ATOM 1255 C LYS A 79 -1.977 -4.857 13.122 1.00 0.00 C ATOM 1256 O LYS A 79 -1.995 -5.202 14.311 1.00 0.00 O ATOM 1257 CB LYS A 79 -0.631 -2.782 12.637 1.00 0.00 C ATOM 1258 CG LYS A 79 0.708 -2.164 12.207 1.00 0.00 C ATOM 1259 CD LYS A 79 0.812 -0.679 12.586 1.00 0.00 C ATOM 1260 CE LYS A 79 2.217 -0.116 12.364 1.00 0.00 C ATOM 1261 NZ LYS A 79 3.247 -0.779 13.203 1.00 0.00 N ATOM 0 H LYS A 79 -1.074 -4.009 10.424 1.00 0.00 H new ATOM 0 HA LYS A 79 0.169 -4.766 12.974 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -1.433 -2.333 12.051 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -0.819 -2.530 13.681 1.00 0.00 H new ATOM 0 HG2 LYS A 79 1.526 -2.714 12.673 1.00 0.00 H new ATOM 0 HG3 LYS A 79 0.825 -2.271 11.129 1.00 0.00 H new ATOM 0 HD2 LYS A 79 0.097 -0.106 11.996 1.00 0.00 H new ATOM 0 HD3 LYS A 79 0.535 -0.554 13.633 1.00 0.00 H new ATOM 0 HE2 LYS A 79 2.485 -0.227 11.313 1.00 0.00 H new ATOM 0 HE3 LYS A 79 2.213 0.952 12.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 4.130 -0.232 13.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 2.913 -0.830 14.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 3.420 -1.740 12.846 1.00 0.00 H new