USER MOD reduce.3.24.130724 H: found=0, std=0, add=669, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 670 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 51 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 55 GLN : amide:sc= -13.1! C(o=-13!,f=-12!) USER MOD Set 2.1: A 50 ASN : amide:sc= 0 X(o=-0.84,f=-0.84) USER MOD Set 2.2: A 54 GLN : amide:sc= -0.841 K(o=-0.84,f=-5.3!) USER MOD Set 3.1: A 25 GLN : amide:sc= -1.72 K(o=-5,f=-5.5!) USER MOD Set 3.2: A 37 MET CE :methyl -120:sc= -3.28! (180deg=-3.77!) USER MOD Single : A 7 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 84:sc= 1.11 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot -55:sc=-0.00822 USER MOD Single : A 23 ASN : amide:sc= 0.00314 X(o=0.0031,f=-0.0055) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 ASN : amide:sc= -0.0518 X(o=-0.052,f=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0.0276 USER MOD Single : A 39 THR OG1 : rot 69:sc= 1.22 USER MOD Single : A 45 MET CE :methyl -148:sc= -1.16 (180deg=-2.41!) USER MOD Single : A 46 ASN : amide:sc= 0.481 X(o=0.48,f=0) USER MOD Single : A 48 TYR OH : rot 15:sc= 1.13 USER MOD Single : A 52 TYR OH : rot 120:sc= -0.98! USER MOD Single : A 61 GLN : amide:sc= -0.423 X(o=-0.42,f=-0.1) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -0.945 X(o=-0.94,f=-0.99) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 ASN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 76 THR OG1 : rot -76:sc= 1.09 USER MOD Single : A 79 ASN : amide:sc= -0.0012 X(o=-0.0012,f=-0.067) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 TYR OH : rot -144:sc= -2.45! USER MOD Single : A 90 LYS NZ :NH3+ -168:sc= 0.0408 (180deg=0.0234) USER MOD Single : A 91 SER OG : rot 71:sc= 0.0553 USER MOD ----------------------------------------------------------------- ATOM 63 N ALA A 6 -6.038 19.760 -6.569 1.00 0.00 N ATOM 64 CA ALA A 6 -4.832 19.625 -5.761 1.00 0.00 C ATOM 65 C ALA A 6 -4.898 18.376 -4.892 1.00 0.00 C ATOM 66 O ALA A 6 -3.943 17.600 -4.826 1.00 0.00 O ATOM 67 CB ALA A 6 -4.628 20.863 -4.900 1.00 0.00 C ATOM 0 HA ALA A 6 -3.980 19.525 -6.434 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -3.724 20.746 -4.303 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -4.529 21.739 -5.541 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -5.485 20.992 -4.239 1.00 0.00 H new ATOM 73 N ASN A 7 -6.033 18.179 -4.231 1.00 0.00 N ATOM 74 CA ASN A 7 -6.224 17.016 -3.375 1.00 0.00 C ATOM 75 C ASN A 7 -6.178 15.738 -4.203 1.00 0.00 C ATOM 76 O ASN A 7 -5.460 14.793 -3.871 1.00 0.00 O ATOM 77 CB ASN A 7 -7.557 17.113 -2.632 1.00 0.00 C ATOM 78 CG ASN A 7 -7.483 16.528 -1.234 1.00 0.00 C ATOM 79 OD1 ASN A 7 -7.793 15.356 -1.022 1.00 0.00 O ATOM 80 ND2 ASN A 7 -7.071 17.345 -0.272 1.00 0.00 N ATOM 0 H ASN A 7 -6.834 18.809 -4.272 1.00 0.00 H new ATOM 0 HA ASN A 7 -5.417 16.990 -2.642 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -7.860 18.158 -2.570 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -8.326 16.591 -3.201 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -7.001 17.008 0.688 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -6.824 18.310 -0.493 1.00 0.00 H new ATOM 87 N LYS A 8 -6.945 15.718 -5.290 1.00 0.00 N ATOM 88 CA LYS A 8 -6.989 14.563 -6.176 1.00 0.00 C ATOM 89 C LYS A 8 -5.609 14.272 -6.756 1.00 0.00 C ATOM 90 O LYS A 8 -5.290 13.129 -7.081 1.00 0.00 O ATOM 91 CB LYS A 8 -7.992 14.799 -7.307 1.00 0.00 C ATOM 92 CG LYS A 8 -9.435 14.877 -6.836 1.00 0.00 C ATOM 93 CD LYS A 8 -9.887 13.572 -6.200 1.00 0.00 C ATOM 94 CE LYS A 8 -11.036 12.941 -6.972 1.00 0.00 C ATOM 95 NZ LYS A 8 -11.550 11.716 -6.301 1.00 0.00 N ATOM 0 H LYS A 8 -7.545 16.491 -5.577 1.00 0.00 H new ATOM 0 HA LYS A 8 -7.308 13.699 -5.592 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -7.736 15.726 -7.821 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -7.900 13.994 -8.036 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -9.540 15.689 -6.116 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -10.082 15.114 -7.681 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -9.049 12.876 -6.161 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -10.197 13.756 -5.171 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -11.845 13.665 -7.075 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -10.702 12.690 -7.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -12.332 11.317 -6.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -10.786 11.015 -6.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -11.892 11.959 -5.350 1.00 0.00 H new ATOM 109 N ASP A 9 -4.793 15.312 -6.888 1.00 0.00 N ATOM 110 CA ASP A 9 -3.451 15.153 -7.431 1.00 0.00 C ATOM 111 C ASP A 9 -2.539 14.471 -6.420 1.00 0.00 C ATOM 112 O ASP A 9 -1.779 13.570 -6.771 1.00 0.00 O ATOM 113 CB ASP A 9 -2.871 16.509 -7.834 1.00 0.00 C ATOM 114 CG ASP A 9 -1.835 16.391 -8.934 1.00 0.00 C ATOM 115 OD1 ASP A 9 -0.706 15.945 -8.639 1.00 0.00 O ATOM 116 OD2 ASP A 9 -2.152 16.744 -10.089 1.00 0.00 O ATOM 0 H ASP A 9 -5.036 16.268 -6.628 1.00 0.00 H new ATOM 0 HA ASP A 9 -3.516 14.524 -8.319 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -3.678 17.162 -8.167 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -2.419 16.981 -6.962 1.00 0.00 H new ATOM 121 N LEU A 10 -2.619 14.898 -5.164 1.00 0.00 N ATOM 122 CA LEU A 10 -1.797 14.311 -4.115 1.00 0.00 C ATOM 123 C LEU A 10 -2.105 12.826 -3.976 1.00 0.00 C ATOM 124 O LEU A 10 -1.197 11.991 -3.948 1.00 0.00 O ATOM 125 CB LEU A 10 -2.040 15.024 -2.783 1.00 0.00 C ATOM 126 CG LEU A 10 -1.068 14.652 -1.663 1.00 0.00 C ATOM 127 CD1 LEU A 10 0.147 15.568 -1.687 1.00 0.00 C ATOM 128 CD2 LEU A 10 -1.763 14.719 -0.312 1.00 0.00 C ATOM 0 H LEU A 10 -3.241 15.643 -4.850 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.749 14.431 -4.388 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -1.985 16.100 -2.949 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -3.055 14.804 -2.451 1.00 0.00 H new ATOM 0 HG LEU A 10 -0.729 13.629 -1.824 1.00 0.00 H new ATOM 0 HD11 LEU A 10 0.829 15.289 -0.883 1.00 0.00 H new ATOM 0 HD12 LEU A 10 0.657 15.471 -2.645 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -0.173 16.601 -1.549 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -1.057 14.451 0.474 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.130 15.731 -0.141 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -2.601 14.023 -0.299 1.00 0.00 H new ATOM 140 N ILE A 11 -3.393 12.497 -3.908 1.00 0.00 N ATOM 141 CA ILE A 11 -3.804 11.107 -3.793 1.00 0.00 C ATOM 142 C ILE A 11 -3.271 10.309 -4.980 1.00 0.00 C ATOM 143 O ILE A 11 -2.640 9.267 -4.805 1.00 0.00 O ATOM 144 CB ILE A 11 -5.346 10.965 -3.671 1.00 0.00 C ATOM 145 CG1 ILE A 11 -5.697 9.763 -2.793 1.00 0.00 C ATOM 146 CG2 ILE A 11 -6.024 10.843 -5.030 1.00 0.00 C ATOM 147 CD1 ILE A 11 -5.185 8.447 -3.337 1.00 0.00 C ATOM 0 H ILE A 11 -4.160 13.169 -3.931 1.00 0.00 H new ATOM 0 HA ILE A 11 -3.378 10.704 -2.874 1.00 0.00 H new ATOM 0 HB ILE A 11 -5.720 11.876 -3.205 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -5.286 9.919 -1.796 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -6.780 9.706 -2.686 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -7.101 10.746 -4.892 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -5.813 11.733 -5.623 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -5.644 9.963 -5.548 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -5.471 7.639 -2.663 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -5.616 8.268 -4.322 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -4.099 8.485 -3.418 1.00 0.00 H new ATOM 159 N SER A 12 -3.521 10.809 -6.191 1.00 0.00 N ATOM 160 CA SER A 12 -3.054 10.147 -7.401 1.00 0.00 C ATOM 161 C SER A 12 -1.541 9.967 -7.368 1.00 0.00 C ATOM 162 O SER A 12 -1.012 9.002 -7.904 1.00 0.00 O ATOM 163 CB SER A 12 -3.459 10.950 -8.638 1.00 0.00 C ATOM 164 OG SER A 12 -4.868 10.995 -8.777 1.00 0.00 O ATOM 0 H SER A 12 -4.044 11.669 -6.356 1.00 0.00 H new ATOM 0 HA SER A 12 -3.519 9.163 -7.451 1.00 0.00 H new ATOM 0 HB2 SER A 12 -3.065 11.964 -8.563 1.00 0.00 H new ATOM 0 HB3 SER A 12 -3.017 10.502 -9.528 1.00 0.00 H new ATOM 0 HG SER A 12 -5.228 11.720 -8.225 1.00 0.00 H new ATOM 170 N ALA A 13 -0.851 10.915 -6.746 1.00 0.00 N ATOM 171 CA ALA A 13 0.604 10.859 -6.656 1.00 0.00 C ATOM 172 C ALA A 13 1.055 9.684 -5.799 1.00 0.00 C ATOM 173 O ALA A 13 1.956 8.938 -6.184 1.00 0.00 O ATOM 174 CB ALA A 13 1.164 12.168 -6.124 1.00 0.00 C ATOM 0 H ALA A 13 -1.272 11.729 -6.298 1.00 0.00 H new ATOM 0 HA ALA A 13 0.997 10.708 -7.661 1.00 0.00 H new ATOM 0 HB1 ALA A 13 2.250 12.102 -6.066 1.00 0.00 H new ATOM 0 HB2 ALA A 13 0.885 12.982 -6.793 1.00 0.00 H new ATOM 0 HB3 ALA A 13 0.758 12.360 -5.131 1.00 0.00 H new ATOM 180 N GLY A 14 0.395 9.489 -4.666 1.00 0.00 N ATOM 181 CA GLY A 14 0.724 8.357 -3.820 1.00 0.00 C ATOM 182 C GLY A 14 0.292 7.082 -4.506 1.00 0.00 C ATOM 183 O GLY A 14 0.999 6.075 -4.512 1.00 0.00 O ATOM 0 H GLY A 14 -0.355 10.087 -4.319 1.00 0.00 H new ATOM 0 HA2 GLY A 14 1.796 8.333 -3.624 1.00 0.00 H new ATOM 0 HA3 GLY A 14 0.226 8.452 -2.855 1.00 0.00 H new ATOM 187 N LEU A 15 -0.891 7.168 -5.097 1.00 0.00 N ATOM 188 CA LEU A 15 -1.472 6.052 -5.826 1.00 0.00 C ATOM 189 C LEU A 15 -0.489 5.572 -6.884 1.00 0.00 C ATOM 190 O LEU A 15 -0.069 4.415 -6.875 1.00 0.00 O ATOM 191 CB LEU A 15 -2.803 6.452 -6.467 1.00 0.00 C ATOM 192 CG LEU A 15 -4.050 6.001 -5.705 1.00 0.00 C ATOM 193 CD1 LEU A 15 -5.307 6.526 -6.378 1.00 0.00 C ATOM 194 CD2 LEU A 15 -4.090 4.483 -5.607 1.00 0.00 C ATOM 0 H LEU A 15 -1.471 8.007 -5.085 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.672 5.239 -5.128 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.829 7.537 -6.566 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.842 6.038 -7.475 1.00 0.00 H new ATOM 0 HG LEU A 15 -4.006 6.412 -4.696 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -6.183 6.194 -5.821 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -5.281 7.615 -6.398 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -5.360 6.145 -7.398 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -4.983 4.177 -5.062 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -4.111 4.054 -6.609 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.204 4.129 -5.080 1.00 0.00 H new ATOM 206 N LYS A 16 -0.110 6.469 -7.784 1.00 0.00 N ATOM 207 CA LYS A 16 0.840 6.133 -8.832 1.00 0.00 C ATOM 208 C LYS A 16 2.168 5.709 -8.216 1.00 0.00 C ATOM 209 O LYS A 16 2.902 4.903 -8.786 1.00 0.00 O ATOM 210 CB LYS A 16 1.048 7.327 -9.770 1.00 0.00 C ATOM 211 CG LYS A 16 0.790 7.001 -11.232 1.00 0.00 C ATOM 212 CD LYS A 16 2.079 6.658 -11.962 1.00 0.00 C ATOM 213 CE LYS A 16 1.900 5.459 -12.882 1.00 0.00 C ATOM 214 NZ LYS A 16 2.342 5.757 -14.273 1.00 0.00 N ATOM 0 H LYS A 16 -0.445 7.432 -7.809 1.00 0.00 H new ATOM 0 HA LYS A 16 0.439 5.303 -9.414 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.387 8.138 -9.465 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.070 7.690 -9.662 1.00 0.00 H new ATOM 0 HG2 LYS A 16 0.097 6.163 -11.302 1.00 0.00 H new ATOM 0 HG3 LYS A 16 0.311 7.852 -11.717 1.00 0.00 H new ATOM 0 HD2 LYS A 16 2.408 7.518 -12.545 1.00 0.00 H new ATOM 0 HD3 LYS A 16 2.864 6.446 -11.236 1.00 0.00 H new ATOM 0 HE2 LYS A 16 2.469 4.615 -12.493 1.00 0.00 H new ATOM 0 HE3 LYS A 16 0.852 5.160 -12.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 2.204 4.916 -14.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 1.782 6.546 -14.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 3.349 6.017 -14.269 1.00 0.00 H new ATOM 228 N GLU A 17 2.465 6.255 -7.040 1.00 0.00 N ATOM 229 CA GLU A 17 3.698 5.933 -6.336 1.00 0.00 C ATOM 230 C GLU A 17 3.713 4.472 -5.911 1.00 0.00 C ATOM 231 O GLU A 17 4.683 3.756 -6.159 1.00 0.00 O ATOM 232 CB GLU A 17 3.869 6.840 -5.114 1.00 0.00 C ATOM 233 CG GLU A 17 4.986 7.860 -5.266 1.00 0.00 C ATOM 234 CD GLU A 17 4.879 8.997 -4.268 1.00 0.00 C ATOM 235 OE1 GLU A 17 5.191 8.774 -3.080 1.00 0.00 O ATOM 236 OE2 GLU A 17 4.484 10.109 -4.676 1.00 0.00 O ATOM 0 H GLU A 17 1.866 6.923 -6.556 1.00 0.00 H new ATOM 0 HA GLU A 17 4.531 6.102 -7.018 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.932 7.365 -4.927 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.069 6.222 -4.238 1.00 0.00 H new ATOM 0 HG2 GLU A 17 5.947 7.362 -5.141 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.967 8.266 -6.277 1.00 0.00 H new ATOM 243 N PHE A 18 2.636 4.031 -5.272 1.00 0.00 N ATOM 244 CA PHE A 18 2.545 2.649 -4.819 1.00 0.00 C ATOM 245 C PHE A 18 2.451 1.704 -6.010 1.00 0.00 C ATOM 246 O PHE A 18 3.096 0.657 -6.036 1.00 0.00 O ATOM 247 CB PHE A 18 1.338 2.459 -3.895 1.00 0.00 C ATOM 248 CG PHE A 18 1.378 1.185 -3.088 1.00 0.00 C ATOM 249 CD1 PHE A 18 2.585 0.578 -2.764 1.00 0.00 C ATOM 250 CD2 PHE A 18 0.202 0.596 -2.653 1.00 0.00 C ATOM 251 CE1 PHE A 18 2.615 -0.588 -2.023 1.00 0.00 C ATOM 252 CE2 PHE A 18 0.227 -0.571 -1.911 1.00 0.00 C ATOM 253 CZ PHE A 18 1.434 -1.163 -1.596 1.00 0.00 C ATOM 0 H PHE A 18 1.820 4.605 -5.057 1.00 0.00 H new ATOM 0 HA PHE A 18 3.449 2.415 -4.257 1.00 0.00 H new ATOM 0 HB2 PHE A 18 1.278 3.307 -3.213 1.00 0.00 H new ATOM 0 HB3 PHE A 18 0.428 2.468 -4.496 1.00 0.00 H new ATOM 0 HD1 PHE A 18 3.512 1.023 -3.095 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -0.746 1.053 -2.896 1.00 0.00 H new ATOM 0 HE1 PHE A 18 3.560 -1.049 -1.778 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -0.697 -1.019 -1.578 1.00 0.00 H new ATOM 0 HZ PHE A 18 1.455 -2.074 -1.017 1.00 0.00 H new ATOM 263 N SER A 19 1.652 2.086 -7.002 1.00 0.00 N ATOM 264 CA SER A 19 1.484 1.275 -8.203 1.00 0.00 C ATOM 265 C SER A 19 2.836 0.991 -8.849 1.00 0.00 C ATOM 266 O SER A 19 3.170 -0.159 -9.140 1.00 0.00 O ATOM 267 CB SER A 19 0.565 1.984 -9.200 1.00 0.00 C ATOM 268 OG SER A 19 1.271 2.971 -9.930 1.00 0.00 O ATOM 0 H SER A 19 1.111 2.951 -6.998 1.00 0.00 H new ATOM 0 HA SER A 19 1.028 0.327 -7.916 1.00 0.00 H new ATOM 0 HB2 SER A 19 0.138 1.254 -9.888 1.00 0.00 H new ATOM 0 HB3 SER A 19 -0.267 2.446 -8.668 1.00 0.00 H new ATOM 0 HG SER A 19 1.698 3.596 -9.307 1.00 0.00 H new ATOM 274 N VAL A 20 3.616 2.046 -9.060 1.00 0.00 N ATOM 275 CA VAL A 20 4.936 1.909 -9.660 1.00 0.00 C ATOM 276 C VAL A 20 5.849 1.081 -8.762 1.00 0.00 C ATOM 277 O VAL A 20 6.585 0.220 -9.239 1.00 0.00 O ATOM 278 CB VAL A 20 5.585 3.283 -9.921 1.00 0.00 C ATOM 279 CG1 VAL A 20 6.924 3.119 -10.624 1.00 0.00 C ATOM 280 CG2 VAL A 20 4.654 4.166 -10.736 1.00 0.00 C ATOM 0 H VAL A 20 3.356 3.004 -8.824 1.00 0.00 H new ATOM 0 HA VAL A 20 4.806 1.401 -10.615 1.00 0.00 H new ATOM 0 HB VAL A 20 5.762 3.767 -8.961 1.00 0.00 H new ATOM 0 HG11 VAL A 20 7.366 4.100 -10.799 1.00 0.00 H new ATOM 0 HG12 VAL A 20 7.593 2.526 -10.000 1.00 0.00 H new ATOM 0 HG13 VAL A 20 6.775 2.613 -11.578 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.129 5.132 -10.911 1.00 0.00 H new ATOM 0 HG22 VAL A 20 4.443 3.687 -11.692 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.722 4.313 -10.190 1.00 0.00 H new ATOM 290 N LEU A 21 5.787 1.343 -7.459 1.00 0.00 N ATOM 291 CA LEU A 21 6.604 0.614 -6.494 1.00 0.00 C ATOM 292 C LEU A 21 6.311 -0.881 -6.577 1.00 0.00 C ATOM 293 O LEU A 21 7.225 -1.706 -6.598 1.00 0.00 O ATOM 294 CB LEU A 21 6.317 1.125 -5.078 1.00 0.00 C ATOM 295 CG LEU A 21 7.468 0.978 -4.080 1.00 0.00 C ATOM 296 CD1 LEU A 21 8.633 1.873 -4.470 1.00 0.00 C ATOM 297 CD2 LEU A 21 6.993 1.304 -2.670 1.00 0.00 C ATOM 0 H LEU A 21 5.181 2.053 -7.048 1.00 0.00 H new ATOM 0 HA LEU A 21 7.656 0.779 -6.727 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.044 2.178 -5.139 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.450 0.593 -4.687 1.00 0.00 H new ATOM 0 HG LEU A 21 7.810 -0.057 -4.100 1.00 0.00 H new ATOM 0 HD11 LEU A 21 9.441 1.754 -3.748 1.00 0.00 H new ATOM 0 HD12 LEU A 21 8.989 1.595 -5.462 1.00 0.00 H new ATOM 0 HD13 LEU A 21 8.306 2.913 -4.480 1.00 0.00 H new ATOM 0 HD21 LEU A 21 7.823 1.195 -1.972 1.00 0.00 H new ATOM 0 HD22 LEU A 21 6.625 2.329 -2.638 1.00 0.00 H new ATOM 0 HD23 LEU A 21 6.191 0.621 -2.389 1.00 0.00 H new ATOM 309 N LEU A 22 5.027 -1.216 -6.624 1.00 0.00 N ATOM 310 CA LEU A 22 4.595 -2.606 -6.705 1.00 0.00 C ATOM 311 C LEU A 22 5.081 -3.257 -7.998 1.00 0.00 C ATOM 312 O LEU A 22 5.454 -4.430 -8.013 1.00 0.00 O ATOM 313 CB LEU A 22 3.068 -2.693 -6.629 1.00 0.00 C ATOM 314 CG LEU A 22 2.442 -2.080 -5.375 1.00 0.00 C ATOM 315 CD1 LEU A 22 1.080 -1.485 -5.693 1.00 0.00 C ATOM 316 CD2 LEU A 22 2.323 -3.124 -4.274 1.00 0.00 C ATOM 0 H LEU A 22 4.263 -0.540 -6.607 1.00 0.00 H new ATOM 0 HA LEU A 22 5.030 -3.141 -5.861 1.00 0.00 H new ATOM 0 HB2 LEU A 22 2.648 -2.198 -7.504 1.00 0.00 H new ATOM 0 HB3 LEU A 22 2.777 -3.742 -6.685 1.00 0.00 H new ATOM 0 HG LEU A 22 3.093 -1.279 -5.023 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.651 -1.054 -4.788 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.190 -0.707 -6.449 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.421 -2.267 -6.070 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.876 -2.671 -3.389 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.694 -3.945 -4.618 1.00 0.00 H new ATOM 0 HD23 LEU A 22 3.314 -3.505 -4.025 1.00 0.00 H new ATOM 328 N ASN A 23 5.061 -2.490 -9.087 1.00 0.00 N ATOM 329 CA ASN A 23 5.487 -2.997 -10.390 1.00 0.00 C ATOM 330 C ASN A 23 7.009 -2.985 -10.532 1.00 0.00 C ATOM 331 O ASN A 23 7.580 -3.825 -11.228 1.00 0.00 O ATOM 332 CB ASN A 23 4.856 -2.166 -11.510 1.00 0.00 C ATOM 333 CG ASN A 23 3.518 -2.721 -11.956 1.00 0.00 C ATOM 334 OD1 ASN A 23 3.441 -3.816 -12.512 1.00 0.00 O ATOM 335 ND2 ASN A 23 2.454 -1.965 -11.714 1.00 0.00 N ATOM 0 H ASN A 23 4.755 -1.517 -9.093 1.00 0.00 H new ATOM 0 HA ASN A 23 5.151 -4.031 -10.467 1.00 0.00 H new ATOM 0 HB2 ASN A 23 4.725 -1.140 -11.168 1.00 0.00 H new ATOM 0 HB3 ASN A 23 5.535 -2.134 -12.362 1.00 0.00 H new ATOM 0 HD21 ASN A 23 1.527 -2.286 -11.992 1.00 0.00 H new ATOM 0 HD22 ASN A 23 2.564 -1.063 -11.250 1.00 0.00 H new ATOM 342 N GLN A 24 7.659 -2.028 -9.878 1.00 0.00 N ATOM 343 CA GLN A 24 9.115 -1.913 -9.944 1.00 0.00 C ATOM 344 C GLN A 24 9.803 -3.083 -9.238 1.00 0.00 C ATOM 345 O GLN A 24 11.019 -3.246 -9.339 1.00 0.00 O ATOM 346 CB GLN A 24 9.571 -0.590 -9.322 1.00 0.00 C ATOM 347 CG GLN A 24 10.163 0.383 -10.329 1.00 0.00 C ATOM 348 CD GLN A 24 11.661 0.218 -10.489 1.00 0.00 C ATOM 349 OE1 GLN A 24 12.445 0.768 -9.715 1.00 0.00 O ATOM 350 NE2 GLN A 24 12.069 -0.544 -11.497 1.00 0.00 N ATOM 0 H GLN A 24 7.205 -1.323 -9.298 1.00 0.00 H new ATOM 0 HA GLN A 24 9.401 -1.937 -10.995 1.00 0.00 H new ATOM 0 HB2 GLN A 24 8.721 -0.118 -8.829 1.00 0.00 H new ATOM 0 HB3 GLN A 24 10.312 -0.797 -8.550 1.00 0.00 H new ATOM 0 HG2 GLN A 24 9.680 0.238 -11.295 1.00 0.00 H new ATOM 0 HG3 GLN A 24 9.945 1.403 -10.014 1.00 0.00 H new ATOM 0 HE21 GLN A 24 11.385 -0.981 -12.115 1.00 0.00 H new ATOM 0 HE22 GLN A 24 13.066 -0.692 -11.653 1.00 0.00 H new ATOM 359 N GLN A 25 9.027 -3.889 -8.520 1.00 0.00 N ATOM 360 CA GLN A 25 9.574 -5.030 -7.798 1.00 0.00 C ATOM 361 C GLN A 25 9.749 -6.240 -8.714 1.00 0.00 C ATOM 362 O GLN A 25 8.782 -6.752 -9.278 1.00 0.00 O ATOM 363 CB GLN A 25 8.666 -5.393 -6.623 1.00 0.00 C ATOM 364 CG GLN A 25 8.858 -4.499 -5.408 1.00 0.00 C ATOM 365 CD GLN A 25 10.228 -4.659 -4.778 1.00 0.00 C ATOM 366 OE1 GLN A 25 11.238 -4.246 -5.348 1.00 0.00 O ATOM 367 NE2 GLN A 25 10.268 -5.259 -3.595 1.00 0.00 N ATOM 0 H GLN A 25 8.018 -3.772 -8.423 1.00 0.00 H new ATOM 0 HA GLN A 25 10.557 -4.747 -7.422 1.00 0.00 H new ATOM 0 HB2 GLN A 25 7.627 -5.335 -6.946 1.00 0.00 H new ATOM 0 HB3 GLN A 25 8.853 -6.428 -6.336 1.00 0.00 H new ATOM 0 HG2 GLN A 25 8.716 -3.459 -5.701 1.00 0.00 H new ATOM 0 HG3 GLN A 25 8.092 -4.729 -4.667 1.00 0.00 H new ATOM 0 HE21 GLN A 25 9.405 -5.586 -3.159 1.00 0.00 H new ATOM 0 HE22 GLN A 25 11.161 -5.394 -3.121 1.00 0.00 H new ATOM 376 N VAL A 26 10.991 -6.695 -8.845 1.00 0.00 N ATOM 377 CA VAL A 26 11.307 -7.851 -9.678 1.00 0.00 C ATOM 378 C VAL A 26 12.212 -8.818 -8.921 1.00 0.00 C ATOM 379 O VAL A 26 13.419 -8.602 -8.822 1.00 0.00 O ATOM 380 CB VAL A 26 12.002 -7.433 -10.988 1.00 0.00 C ATOM 381 CG1 VAL A 26 11.032 -6.691 -11.895 1.00 0.00 C ATOM 382 CG2 VAL A 26 13.227 -6.579 -10.693 1.00 0.00 C ATOM 0 H VAL A 26 11.799 -6.279 -8.383 1.00 0.00 H new ATOM 0 HA VAL A 26 10.365 -8.340 -9.925 1.00 0.00 H new ATOM 0 HB VAL A 26 12.331 -8.334 -11.507 1.00 0.00 H new ATOM 0 HG11 VAL A 26 11.541 -6.404 -12.815 1.00 0.00 H new ATOM 0 HG12 VAL A 26 10.189 -7.339 -12.134 1.00 0.00 H new ATOM 0 HG13 VAL A 26 10.670 -5.797 -11.387 1.00 0.00 H new ATOM 0 HG21 VAL A 26 13.705 -6.293 -11.630 1.00 0.00 H new ATOM 0 HG22 VAL A 26 12.924 -5.683 -10.152 1.00 0.00 H new ATOM 0 HG23 VAL A 26 13.930 -7.149 -10.086 1.00 0.00 H new ATOM 392 N PHE A 27 11.618 -9.870 -8.368 1.00 0.00 N ATOM 393 CA PHE A 27 12.370 -10.854 -7.594 1.00 0.00 C ATOM 394 C PHE A 27 12.796 -12.046 -8.445 1.00 0.00 C ATOM 395 O PHE A 27 11.987 -12.618 -9.176 1.00 0.00 O ATOM 396 CB PHE A 27 11.532 -11.361 -6.418 1.00 0.00 C ATOM 397 CG PHE A 27 10.459 -10.409 -5.999 1.00 0.00 C ATOM 398 CD1 PHE A 27 10.791 -9.184 -5.451 1.00 0.00 C ATOM 399 CD2 PHE A 27 9.124 -10.731 -6.162 1.00 0.00 C ATOM 400 CE1 PHE A 27 9.811 -8.296 -5.071 1.00 0.00 C ATOM 401 CE2 PHE A 27 8.136 -9.846 -5.782 1.00 0.00 C ATOM 402 CZ PHE A 27 8.478 -8.625 -5.236 1.00 0.00 C ATOM 0 H PHE A 27 10.619 -10.064 -8.441 1.00 0.00 H new ATOM 0 HA PHE A 27 13.266 -10.352 -7.229 1.00 0.00 H new ATOM 0 HB2 PHE A 27 11.077 -12.313 -6.690 1.00 0.00 H new ATOM 0 HB3 PHE A 27 12.189 -11.553 -5.570 1.00 0.00 H new ATOM 0 HD1 PHE A 27 11.830 -8.921 -5.320 1.00 0.00 H new ATOM 0 HD2 PHE A 27 8.852 -11.684 -6.591 1.00 0.00 H new ATOM 0 HE1 PHE A 27 10.083 -7.342 -4.644 1.00 0.00 H new ATOM 0 HE2 PHE A 27 7.096 -10.108 -5.912 1.00 0.00 H new ATOM 0 HZ PHE A 27 7.707 -7.929 -4.939 1.00 0.00 H new ATOM 412 N ASN A 28 14.060 -12.440 -8.319 1.00 0.00 N ATOM 413 CA ASN A 28 14.570 -13.593 -9.050 1.00 0.00 C ATOM 414 C ASN A 28 14.266 -14.861 -8.253 1.00 0.00 C ATOM 415 O ASN A 28 13.171 -15.411 -8.358 1.00 0.00 O ATOM 416 CB ASN A 28 16.073 -13.454 -9.307 1.00 0.00 C ATOM 417 CG ASN A 28 16.381 -12.492 -10.439 1.00 0.00 C ATOM 418 OD1 ASN A 28 17.002 -11.449 -10.231 1.00 0.00 O ATOM 419 ND2 ASN A 28 15.946 -12.839 -11.644 1.00 0.00 N ATOM 0 H ASN A 28 14.746 -11.980 -7.721 1.00 0.00 H new ATOM 0 HA ASN A 28 14.079 -13.652 -10.021 1.00 0.00 H new ATOM 0 HB2 ASN A 28 16.564 -13.109 -8.397 1.00 0.00 H new ATOM 0 HB3 ASN A 28 16.490 -14.433 -9.542 1.00 0.00 H new ATOM 0 HD21 ASN A 28 16.122 -12.232 -12.444 1.00 0.00 H new ATOM 0 HD22 ASN A 28 15.435 -13.713 -11.770 1.00 0.00 H new ATOM 426 N ASP A 29 15.214 -15.302 -7.429 1.00 0.00 N ATOM 427 CA ASP A 29 15.012 -16.476 -6.589 1.00 0.00 C ATOM 428 C ASP A 29 14.412 -16.025 -5.261 1.00 0.00 C ATOM 429 O ASP A 29 14.305 -14.827 -5.021 1.00 0.00 O ATOM 430 CB ASP A 29 16.342 -17.201 -6.360 1.00 0.00 C ATOM 431 CG ASP A 29 16.406 -18.530 -7.087 1.00 0.00 C ATOM 432 OD1 ASP A 29 16.096 -18.561 -8.296 1.00 0.00 O ATOM 433 OD2 ASP A 29 16.767 -19.540 -6.446 1.00 0.00 O ATOM 0 H ASP A 29 16.129 -14.863 -7.326 1.00 0.00 H new ATOM 0 HA ASP A 29 14.332 -17.172 -7.081 1.00 0.00 H new ATOM 0 HB2 ASP A 29 17.162 -16.566 -6.696 1.00 0.00 H new ATOM 0 HB3 ASP A 29 16.484 -17.366 -5.292 1.00 0.00 H new ATOM 438 N PRO A 30 14.009 -16.957 -4.376 1.00 0.00 N ATOM 439 CA PRO A 30 13.423 -16.622 -3.082 1.00 0.00 C ATOM 440 C PRO A 30 13.829 -15.232 -2.579 1.00 0.00 C ATOM 441 O PRO A 30 12.985 -14.344 -2.459 1.00 0.00 O ATOM 442 CB PRO A 30 13.985 -17.734 -2.202 1.00 0.00 C ATOM 443 CG PRO A 30 14.068 -18.929 -3.110 1.00 0.00 C ATOM 444 CD PRO A 30 14.096 -18.415 -4.539 1.00 0.00 C ATOM 0 HA PRO A 30 12.335 -16.568 -3.101 1.00 0.00 H new ATOM 0 HB2 PRO A 30 14.965 -17.469 -1.805 1.00 0.00 H new ATOM 0 HB3 PRO A 30 13.337 -17.929 -1.348 1.00 0.00 H new ATOM 0 HG2 PRO A 30 14.963 -19.513 -2.895 1.00 0.00 H new ATOM 0 HG3 PRO A 30 13.213 -19.588 -2.956 1.00 0.00 H new ATOM 0 HD2 PRO A 30 15.011 -18.708 -5.054 1.00 0.00 H new ATOM 0 HD3 PRO A 30 13.262 -18.805 -5.123 1.00 0.00 H new ATOM 452 N LEU A 31 15.116 -15.045 -2.293 1.00 0.00 N ATOM 453 CA LEU A 31 15.632 -13.762 -1.812 1.00 0.00 C ATOM 454 C LEU A 31 15.161 -13.465 -0.377 1.00 0.00 C ATOM 455 O LEU A 31 15.211 -14.345 0.483 1.00 0.00 O ATOM 456 CB LEU A 31 15.259 -12.630 -2.783 1.00 0.00 C ATOM 457 CG LEU A 31 15.871 -12.749 -4.179 1.00 0.00 C ATOM 458 CD1 LEU A 31 14.912 -12.217 -5.234 1.00 0.00 C ATOM 459 CD2 LEU A 31 17.197 -12.006 -4.240 1.00 0.00 C ATOM 0 H LEU A 31 15.826 -15.771 -2.387 1.00 0.00 H new ATOM 0 HA LEU A 31 16.720 -13.826 -1.778 1.00 0.00 H new ATOM 0 HB2 LEU A 31 14.174 -12.598 -2.880 1.00 0.00 H new ATOM 0 HB3 LEU A 31 15.569 -11.680 -2.347 1.00 0.00 H new ATOM 0 HG LEU A 31 16.054 -13.803 -4.386 1.00 0.00 H new ATOM 0 HD11 LEU A 31 15.367 -12.311 -6.220 1.00 0.00 H new ATOM 0 HD12 LEU A 31 13.985 -12.791 -5.206 1.00 0.00 H new ATOM 0 HD13 LEU A 31 14.695 -11.168 -5.033 1.00 0.00 H new ATOM 0 HD21 LEU A 31 17.621 -12.100 -5.240 1.00 0.00 H new ATOM 0 HD22 LEU A 31 17.035 -10.953 -4.012 1.00 0.00 H new ATOM 0 HD23 LEU A 31 17.887 -12.433 -3.512 1.00 0.00 H new ATOM 471 N VAL A 32 14.722 -12.233 -0.112 1.00 0.00 N ATOM 472 CA VAL A 32 14.272 -11.848 1.220 1.00 0.00 C ATOM 473 C VAL A 32 13.006 -12.597 1.631 1.00 0.00 C ATOM 474 O VAL A 32 12.272 -13.109 0.787 1.00 0.00 O ATOM 475 CB VAL A 32 14.055 -10.323 1.335 1.00 0.00 C ATOM 476 CG1 VAL A 32 12.723 -9.893 0.738 1.00 0.00 C ATOM 477 CG2 VAL A 32 14.168 -9.890 2.784 1.00 0.00 C ATOM 0 H VAL A 32 14.670 -11.487 -0.805 1.00 0.00 H new ATOM 0 HA VAL A 32 15.069 -12.129 1.908 1.00 0.00 H new ATOM 0 HB VAL A 32 14.835 -9.828 0.757 1.00 0.00 H new ATOM 0 HG11 VAL A 32 12.610 -8.814 0.840 1.00 0.00 H new ATOM 0 HG12 VAL A 32 12.693 -10.163 -0.318 1.00 0.00 H new ATOM 0 HG13 VAL A 32 11.910 -10.394 1.264 1.00 0.00 H new ATOM 0 HG21 VAL A 32 14.014 -8.813 2.855 1.00 0.00 H new ATOM 0 HG22 VAL A 32 13.413 -10.405 3.378 1.00 0.00 H new ATOM 0 HG23 VAL A 32 15.159 -10.140 3.162 1.00 0.00 H new ATOM 487 N SER A 33 12.761 -12.646 2.936 1.00 0.00 N ATOM 488 CA SER A 33 11.585 -13.320 3.470 1.00 0.00 C ATOM 489 C SER A 33 10.368 -12.404 3.434 1.00 0.00 C ATOM 490 O SER A 33 10.473 -11.227 3.089 1.00 0.00 O ATOM 491 CB SER A 33 11.843 -13.787 4.904 1.00 0.00 C ATOM 492 OG SER A 33 12.482 -12.776 5.663 1.00 0.00 O ATOM 0 H SER A 33 13.363 -12.226 3.644 1.00 0.00 H new ATOM 0 HA SER A 33 11.382 -14.189 2.844 1.00 0.00 H new ATOM 0 HB2 SER A 33 10.899 -14.059 5.376 1.00 0.00 H new ATOM 0 HB3 SER A 33 12.463 -14.683 4.892 1.00 0.00 H new ATOM 0 HG SER A 33 12.634 -13.099 6.576 1.00 0.00 H new ATOM 498 N GLU A 34 9.214 -12.948 3.807 1.00 0.00 N ATOM 499 CA GLU A 34 7.979 -12.175 3.829 1.00 0.00 C ATOM 500 C GLU A 34 8.050 -11.107 4.913 1.00 0.00 C ATOM 501 O GLU A 34 7.419 -10.059 4.810 1.00 0.00 O ATOM 502 CB GLU A 34 6.778 -13.090 4.073 1.00 0.00 C ATOM 503 CG GLU A 34 6.600 -14.157 3.005 1.00 0.00 C ATOM 504 CD GLU A 34 7.160 -15.502 3.427 1.00 0.00 C ATOM 505 OE1 GLU A 34 8.330 -15.548 3.860 1.00 0.00 O ATOM 506 OE2 GLU A 34 6.427 -16.509 3.326 1.00 0.00 O ATOM 0 H GLU A 34 9.109 -13.920 4.098 1.00 0.00 H new ATOM 0 HA GLU A 34 7.856 -11.691 2.860 1.00 0.00 H new ATOM 0 HB2 GLU A 34 6.892 -13.574 5.043 1.00 0.00 H new ATOM 0 HB3 GLU A 34 5.874 -12.483 4.123 1.00 0.00 H new ATOM 0 HG2 GLU A 34 5.540 -14.264 2.777 1.00 0.00 H new ATOM 0 HG3 GLU A 34 7.092 -13.834 2.088 1.00 0.00 H new ATOM 513 N GLU A 35 8.827 -11.389 5.952 1.00 0.00 N ATOM 514 CA GLU A 35 8.988 -10.461 7.060 1.00 0.00 C ATOM 515 C GLU A 35 9.532 -9.118 6.579 1.00 0.00 C ATOM 516 O GLU A 35 9.164 -8.070 7.110 1.00 0.00 O ATOM 517 CB GLU A 35 9.924 -11.054 8.116 1.00 0.00 C ATOM 518 CG GLU A 35 9.768 -10.421 9.489 1.00 0.00 C ATOM 519 CD GLU A 35 11.093 -10.257 10.208 1.00 0.00 C ATOM 520 OE1 GLU A 35 11.825 -9.296 9.891 1.00 0.00 O ATOM 521 OE2 GLU A 35 11.397 -11.089 11.089 1.00 0.00 O ATOM 0 H GLU A 35 9.356 -12.256 6.049 1.00 0.00 H new ATOM 0 HA GLU A 35 8.006 -10.294 7.503 1.00 0.00 H new ATOM 0 HB2 GLU A 35 9.737 -12.125 8.195 1.00 0.00 H new ATOM 0 HB3 GLU A 35 10.955 -10.934 7.784 1.00 0.00 H new ATOM 0 HG2 GLU A 35 9.293 -9.446 9.384 1.00 0.00 H new ATOM 0 HG3 GLU A 35 9.103 -11.036 10.095 1.00 0.00 H new ATOM 528 N ASP A 36 10.406 -9.144 5.572 1.00 0.00 N ATOM 529 CA ASP A 36 10.979 -7.908 5.050 1.00 0.00 C ATOM 530 C ASP A 36 9.973 -7.159 4.187 1.00 0.00 C ATOM 531 O ASP A 36 9.752 -5.964 4.372 1.00 0.00 O ATOM 532 CB ASP A 36 12.241 -8.197 4.245 1.00 0.00 C ATOM 533 CG ASP A 36 13.076 -6.952 4.016 1.00 0.00 C ATOM 534 OD1 ASP A 36 12.728 -6.161 3.116 1.00 0.00 O ATOM 535 OD2 ASP A 36 14.079 -6.771 4.738 1.00 0.00 O ATOM 0 H ASP A 36 10.727 -9.994 5.109 1.00 0.00 H new ATOM 0 HA ASP A 36 11.240 -7.279 5.901 1.00 0.00 H new ATOM 0 HB2 ASP A 36 12.840 -8.942 4.768 1.00 0.00 H new ATOM 0 HB3 ASP A 36 11.965 -8.628 3.283 1.00 0.00 H new ATOM 540 N MET A 37 9.360 -7.869 3.250 1.00 0.00 N ATOM 541 CA MET A 37 8.373 -7.250 2.372 1.00 0.00 C ATOM 542 C MET A 37 7.225 -6.713 3.213 1.00 0.00 C ATOM 543 O MET A 37 6.835 -5.554 3.089 1.00 0.00 O ATOM 544 CB MET A 37 7.854 -8.261 1.349 1.00 0.00 C ATOM 545 CG MET A 37 7.385 -7.624 0.050 1.00 0.00 C ATOM 546 SD MET A 37 8.738 -7.322 -1.103 1.00 0.00 S ATOM 547 CE MET A 37 9.367 -5.762 -0.487 1.00 0.00 C ATOM 0 H MET A 37 9.524 -8.861 3.078 1.00 0.00 H new ATOM 0 HA MET A 37 8.841 -6.430 1.828 1.00 0.00 H new ATOM 0 HB2 MET A 37 8.643 -8.980 1.128 1.00 0.00 H new ATOM 0 HB3 MET A 37 7.028 -8.820 1.789 1.00 0.00 H new ATOM 0 HG2 MET A 37 6.648 -8.273 -0.423 1.00 0.00 H new ATOM 0 HG3 MET A 37 6.885 -6.681 0.272 1.00 0.00 H new ATOM 0 HE1 MET A 37 9.296 -5.006 -1.269 1.00 0.00 H new ATOM 0 HE2 MET A 37 8.779 -5.448 0.376 1.00 0.00 H new ATOM 0 HE3 MET A 37 10.409 -5.881 -0.192 1.00 0.00 H new ATOM 557 N VAL A 38 6.692 -7.569 4.075 1.00 0.00 N ATOM 558 CA VAL A 38 5.592 -7.201 4.952 1.00 0.00 C ATOM 559 C VAL A 38 5.949 -5.966 5.780 1.00 0.00 C ATOM 560 O VAL A 38 5.168 -5.019 5.858 1.00 0.00 O ATOM 561 CB VAL A 38 5.225 -8.379 5.889 1.00 0.00 C ATOM 562 CG1 VAL A 38 4.517 -7.902 7.150 1.00 0.00 C ATOM 563 CG2 VAL A 38 4.372 -9.396 5.147 1.00 0.00 C ATOM 0 H VAL A 38 7.009 -8.532 4.185 1.00 0.00 H new ATOM 0 HA VAL A 38 4.729 -6.965 4.329 1.00 0.00 H new ATOM 0 HB VAL A 38 6.154 -8.856 6.201 1.00 0.00 H new ATOM 0 HG11 VAL A 38 4.277 -8.759 7.779 1.00 0.00 H new ATOM 0 HG12 VAL A 38 5.168 -7.221 7.697 1.00 0.00 H new ATOM 0 HG13 VAL A 38 3.598 -7.384 6.877 1.00 0.00 H new ATOM 0 HG21 VAL A 38 4.121 -10.218 5.817 1.00 0.00 H new ATOM 0 HG22 VAL A 38 3.456 -8.918 4.800 1.00 0.00 H new ATOM 0 HG23 VAL A 38 4.927 -9.781 4.291 1.00 0.00 H new ATOM 573 N THR A 39 7.132 -5.976 6.391 1.00 0.00 N ATOM 574 CA THR A 39 7.573 -4.847 7.203 1.00 0.00 C ATOM 575 C THR A 39 7.753 -3.598 6.344 1.00 0.00 C ATOM 576 O THR A 39 7.423 -2.491 6.768 1.00 0.00 O ATOM 577 CB THR A 39 8.883 -5.186 7.918 1.00 0.00 C ATOM 578 OG1 THR A 39 8.710 -6.298 8.779 1.00 0.00 O ATOM 579 CG2 THR A 39 9.427 -4.045 8.752 1.00 0.00 C ATOM 0 H THR A 39 7.797 -6.748 6.339 1.00 0.00 H new ATOM 0 HA THR A 39 6.805 -4.644 7.949 1.00 0.00 H new ATOM 0 HB THR A 39 9.595 -5.405 7.122 1.00 0.00 H new ATOM 0 HG1 THR A 39 8.567 -7.107 8.244 1.00 0.00 H new ATOM 0 HG21 THR A 39 10.356 -4.355 9.230 1.00 0.00 H new ATOM 0 HG22 THR A 39 9.618 -3.185 8.111 1.00 0.00 H new ATOM 0 HG23 THR A 39 8.699 -3.773 9.516 1.00 0.00 H new ATOM 587 N VAL A 40 8.271 -3.783 5.132 1.00 0.00 N ATOM 588 CA VAL A 40 8.479 -2.667 4.218 1.00 0.00 C ATOM 589 C VAL A 40 7.140 -2.112 3.748 1.00 0.00 C ATOM 590 O VAL A 40 6.985 -0.906 3.557 1.00 0.00 O ATOM 591 CB VAL A 40 9.318 -3.087 2.993 1.00 0.00 C ATOM 592 CG1 VAL A 40 9.470 -1.930 2.017 1.00 0.00 C ATOM 593 CG2 VAL A 40 10.681 -3.600 3.432 1.00 0.00 C ATOM 0 H VAL A 40 8.553 -4.691 4.763 1.00 0.00 H new ATOM 0 HA VAL A 40 9.025 -1.896 4.762 1.00 0.00 H new ATOM 0 HB VAL A 40 8.793 -3.894 2.481 1.00 0.00 H new ATOM 0 HG11 VAL A 40 10.065 -2.251 1.162 1.00 0.00 H new ATOM 0 HG12 VAL A 40 8.486 -1.611 1.675 1.00 0.00 H new ATOM 0 HG13 VAL A 40 9.968 -1.098 2.514 1.00 0.00 H new ATOM 0 HG21 VAL A 40 11.260 -3.892 2.555 1.00 0.00 H new ATOM 0 HG22 VAL A 40 11.210 -2.813 3.970 1.00 0.00 H new ATOM 0 HG23 VAL A 40 10.552 -4.463 4.085 1.00 0.00 H new ATOM 603 N VAL A 41 6.174 -3.005 3.575 1.00 0.00 N ATOM 604 CA VAL A 41 4.839 -2.619 3.141 1.00 0.00 C ATOM 605 C VAL A 41 4.111 -1.881 4.258 1.00 0.00 C ATOM 606 O VAL A 41 3.547 -0.808 4.043 1.00 0.00 O ATOM 607 CB VAL A 41 4.015 -3.853 2.714 1.00 0.00 C ATOM 608 CG1 VAL A 41 2.619 -3.451 2.261 1.00 0.00 C ATOM 609 CG2 VAL A 41 4.735 -4.618 1.612 1.00 0.00 C ATOM 0 H VAL A 41 6.292 -4.006 3.730 1.00 0.00 H new ATOM 0 HA VAL A 41 4.947 -1.958 2.281 1.00 0.00 H new ATOM 0 HB VAL A 41 3.911 -4.506 3.581 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.062 -4.340 1.966 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.100 -2.953 3.080 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.694 -2.772 1.412 1.00 0.00 H new ATOM 0 HG21 VAL A 41 4.141 -5.485 1.323 1.00 0.00 H new ATOM 0 HG22 VAL A 41 4.873 -3.968 0.748 1.00 0.00 H new ATOM 0 HG23 VAL A 41 5.708 -4.950 1.975 1.00 0.00 H new ATOM 619 N GLU A 42 4.133 -2.462 5.454 1.00 0.00 N ATOM 620 CA GLU A 42 3.481 -1.860 6.611 1.00 0.00 C ATOM 621 C GLU A 42 4.008 -0.449 6.856 1.00 0.00 C ATOM 622 O GLU A 42 3.234 0.489 7.043 1.00 0.00 O ATOM 623 CB GLU A 42 3.702 -2.724 7.855 1.00 0.00 C ATOM 624 CG GLU A 42 2.608 -3.754 8.082 1.00 0.00 C ATOM 625 CD GLU A 42 2.138 -3.798 9.523 1.00 0.00 C ATOM 626 OE1 GLU A 42 2.910 -4.268 10.386 1.00 0.00 O ATOM 627 OE2 GLU A 42 0.998 -3.363 9.790 1.00 0.00 O ATOM 0 H GLU A 42 4.596 -3.350 5.647 1.00 0.00 H new ATOM 0 HA GLU A 42 2.412 -1.800 6.406 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.660 -3.237 7.766 1.00 0.00 H new ATOM 0 HB3 GLU A 42 3.768 -2.077 8.730 1.00 0.00 H new ATOM 0 HG2 GLU A 42 1.761 -3.528 7.434 1.00 0.00 H new ATOM 0 HG3 GLU A 42 2.976 -4.739 7.793 1.00 0.00 H new ATOM 634 N ASP A 43 5.330 -0.309 6.848 1.00 0.00 N ATOM 635 CA ASP A 43 5.962 0.988 7.063 1.00 0.00 C ATOM 636 C ASP A 43 5.614 1.952 5.935 1.00 0.00 C ATOM 637 O ASP A 43 5.392 3.141 6.166 1.00 0.00 O ATOM 638 CB ASP A 43 7.479 0.829 7.166 1.00 0.00 C ATOM 639 CG ASP A 43 7.933 0.520 8.579 1.00 0.00 C ATOM 640 OD1 ASP A 43 7.990 1.456 9.404 1.00 0.00 O ATOM 641 OD2 ASP A 43 8.235 -0.660 8.861 1.00 0.00 O ATOM 0 H ASP A 43 5.984 -1.077 6.695 1.00 0.00 H new ATOM 0 HA ASP A 43 5.585 1.400 7.999 1.00 0.00 H new ATOM 0 HB2 ASP A 43 7.804 0.030 6.500 1.00 0.00 H new ATOM 0 HB3 ASP A 43 7.962 1.745 6.824 1.00 0.00 H new ATOM 646 N TRP A 44 5.591 1.437 4.709 1.00 0.00 N ATOM 647 CA TRP A 44 5.296 2.269 3.548 1.00 0.00 C ATOM 648 C TRP A 44 3.911 2.894 3.676 1.00 0.00 C ATOM 649 O TRP A 44 3.746 4.102 3.491 1.00 0.00 O ATOM 650 CB TRP A 44 5.371 1.436 2.265 1.00 0.00 C ATOM 651 CG TRP A 44 6.766 1.249 1.748 1.00 0.00 C ATOM 652 CD1 TRP A 44 7.898 1.875 2.186 1.00 0.00 C ATOM 653 CD2 TRP A 44 7.173 0.375 0.689 1.00 0.00 C ATOM 654 NE1 TRP A 44 8.984 1.443 1.464 1.00 0.00 N ATOM 655 CE2 TRP A 44 8.566 0.522 0.539 1.00 0.00 C ATOM 656 CE3 TRP A 44 6.496 -0.517 -0.146 1.00 0.00 C ATOM 657 CZ2 TRP A 44 9.290 -0.191 -0.413 1.00 0.00 C ATOM 658 CZ3 TRP A 44 7.216 -1.225 -1.091 1.00 0.00 C ATOM 659 CH2 TRP A 44 8.601 -1.058 -1.217 1.00 0.00 C ATOM 0 H TRP A 44 5.771 0.456 4.495 1.00 0.00 H new ATOM 0 HA TRP A 44 6.039 3.065 3.500 1.00 0.00 H new ATOM 0 HB2 TRP A 44 4.928 0.458 2.451 1.00 0.00 H new ATOM 0 HB3 TRP A 44 4.769 1.917 1.494 1.00 0.00 H new ATOM 0 HD1 TRP A 44 7.934 2.603 2.983 1.00 0.00 H new ATOM 0 HE1 TRP A 44 9.946 1.757 1.595 1.00 0.00 H new ATOM 0 HE3 TRP A 44 5.428 -0.652 -0.055 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 10.358 -0.064 -0.513 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 6.703 -1.917 -1.742 1.00 0.00 H new ATOM 0 HH2 TRP A 44 9.136 -1.625 -1.964 1.00 0.00 H new ATOM 670 N MET A 45 2.919 2.075 3.999 1.00 0.00 N ATOM 671 CA MET A 45 1.554 2.560 4.154 1.00 0.00 C ATOM 672 C MET A 45 1.412 3.413 5.410 1.00 0.00 C ATOM 673 O MET A 45 0.631 4.363 5.442 1.00 0.00 O ATOM 674 CB MET A 45 0.580 1.383 4.216 1.00 0.00 C ATOM 675 CG MET A 45 0.870 0.409 5.346 1.00 0.00 C ATOM 676 SD MET A 45 -0.565 -0.592 5.787 1.00 0.00 S ATOM 677 CE MET A 45 -0.248 -2.075 4.833 1.00 0.00 C ATOM 0 H MET A 45 3.033 1.074 4.158 1.00 0.00 H new ATOM 0 HA MET A 45 1.318 3.180 3.289 1.00 0.00 H new ATOM 0 HB2 MET A 45 -0.434 1.767 4.331 1.00 0.00 H new ATOM 0 HB3 MET A 45 0.612 0.846 3.268 1.00 0.00 H new ATOM 0 HG2 MET A 45 1.690 -0.247 5.053 1.00 0.00 H new ATOM 0 HG3 MET A 45 1.204 0.964 6.222 1.00 0.00 H new ATOM 0 HE1 MET A 45 -1.195 -2.519 4.526 1.00 0.00 H new ATOM 0 HE2 MET A 45 0.337 -1.821 3.949 1.00 0.00 H new ATOM 0 HE3 MET A 45 0.306 -2.788 5.443 1.00 0.00 H new ATOM 687 N ASN A 46 2.164 3.061 6.449 1.00 0.00 N ATOM 688 CA ASN A 46 2.108 3.791 7.709 1.00 0.00 C ATOM 689 C ASN A 46 2.698 5.190 7.567 1.00 0.00 C ATOM 690 O ASN A 46 2.195 6.144 8.164 1.00 0.00 O ATOM 691 CB ASN A 46 2.838 3.017 8.811 1.00 0.00 C ATOM 692 CG ASN A 46 1.882 2.301 9.745 1.00 0.00 C ATOM 693 OD1 ASN A 46 1.287 2.914 10.631 1.00 0.00 O ATOM 694 ND2 ASN A 46 1.733 0.996 9.551 1.00 0.00 N ATOM 0 H ASN A 46 2.817 2.277 6.442 1.00 0.00 H new ATOM 0 HA ASN A 46 1.059 3.894 7.986 1.00 0.00 H new ATOM 0 HB2 ASN A 46 3.510 2.290 8.356 1.00 0.00 H new ATOM 0 HB3 ASN A 46 3.456 3.706 9.387 1.00 0.00 H new ATOM 0 HD21 ASN A 46 1.105 0.460 10.149 1.00 0.00 H new ATOM 0 HD22 ASN A 46 2.247 0.530 8.804 1.00 0.00 H new ATOM 701 N PHE A 47 3.751 5.328 6.769 1.00 0.00 N ATOM 702 CA PHE A 47 4.347 6.640 6.571 1.00 0.00 C ATOM 703 C PHE A 47 3.458 7.457 5.657 1.00 0.00 C ATOM 704 O PHE A 47 3.265 8.646 5.873 1.00 0.00 O ATOM 705 CB PHE A 47 5.782 6.544 6.020 1.00 0.00 C ATOM 706 CG PHE A 47 5.905 6.628 4.515 1.00 0.00 C ATOM 707 CD1 PHE A 47 5.651 7.816 3.833 1.00 0.00 C ATOM 708 CD2 PHE A 47 6.285 5.515 3.785 1.00 0.00 C ATOM 709 CE1 PHE A 47 5.775 7.879 2.458 1.00 0.00 C ATOM 710 CE2 PHE A 47 6.412 5.575 2.411 1.00 0.00 C ATOM 711 CZ PHE A 47 6.156 6.758 1.747 1.00 0.00 C ATOM 0 H PHE A 47 4.200 4.566 6.260 1.00 0.00 H new ATOM 0 HA PHE A 47 4.423 7.138 7.538 1.00 0.00 H new ATOM 0 HB2 PHE A 47 6.377 7.343 6.462 1.00 0.00 H new ATOM 0 HB3 PHE A 47 6.218 5.602 6.351 1.00 0.00 H new ATOM 0 HD1 PHE A 47 5.354 8.696 4.384 1.00 0.00 H new ATOM 0 HD2 PHE A 47 6.485 4.586 4.298 1.00 0.00 H new ATOM 0 HE1 PHE A 47 5.574 8.805 1.940 1.00 0.00 H new ATOM 0 HE2 PHE A 47 6.711 4.698 1.857 1.00 0.00 H new ATOM 0 HZ PHE A 47 6.254 6.807 0.673 1.00 0.00 H new ATOM 721 N TYR A 48 2.899 6.803 4.646 1.00 0.00 N ATOM 722 CA TYR A 48 2.007 7.477 3.718 1.00 0.00 C ATOM 723 C TYR A 48 0.769 7.962 4.456 1.00 0.00 C ATOM 724 O TYR A 48 0.376 9.118 4.335 1.00 0.00 O ATOM 725 CB TYR A 48 1.602 6.534 2.582 1.00 0.00 C ATOM 726 CG TYR A 48 2.543 6.557 1.399 1.00 0.00 C ATOM 727 CD1 TYR A 48 2.933 7.756 0.818 1.00 0.00 C ATOM 728 CD2 TYR A 48 3.037 5.375 0.860 1.00 0.00 C ATOM 729 CE1 TYR A 48 3.789 7.777 -0.268 1.00 0.00 C ATOM 730 CE2 TYR A 48 3.892 5.389 -0.224 1.00 0.00 C ATOM 731 CZ TYR A 48 4.266 6.592 -0.784 1.00 0.00 C ATOM 732 OH TYR A 48 5.118 6.609 -1.864 1.00 0.00 O ATOM 0 H TYR A 48 3.048 5.813 4.451 1.00 0.00 H new ATOM 0 HA TYR A 48 2.529 8.332 3.289 1.00 0.00 H new ATOM 0 HB2 TYR A 48 1.547 5.517 2.970 1.00 0.00 H new ATOM 0 HB3 TYR A 48 0.601 6.800 2.242 1.00 0.00 H new ATOM 0 HD1 TYR A 48 2.562 8.687 1.220 1.00 0.00 H new ATOM 0 HD2 TYR A 48 2.747 4.430 1.296 1.00 0.00 H new ATOM 0 HE1 TYR A 48 4.082 8.718 -0.710 1.00 0.00 H new ATOM 0 HE2 TYR A 48 4.266 4.461 -0.632 1.00 0.00 H new ATOM 0 HH TYR A 48 5.468 7.515 -1.990 1.00 0.00 H new ATOM 742 N ILE A 49 0.156 7.063 5.216 1.00 0.00 N ATOM 743 CA ILE A 49 -1.043 7.394 5.973 1.00 0.00 C ATOM 744 C ILE A 49 -0.801 8.578 6.915 1.00 0.00 C ATOM 745 O ILE A 49 -1.552 9.562 6.902 1.00 0.00 O ATOM 746 CB ILE A 49 -1.546 6.171 6.780 1.00 0.00 C ATOM 747 CG1 ILE A 49 -2.911 6.460 7.392 1.00 0.00 C ATOM 748 CG2 ILE A 49 -0.555 5.779 7.860 1.00 0.00 C ATOM 749 CD1 ILE A 49 -4.054 5.797 6.658 1.00 0.00 C ATOM 0 H ILE A 49 0.470 6.099 5.324 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.810 7.679 5.253 1.00 0.00 H new ATOM 0 HB ILE A 49 -1.641 5.332 6.090 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -2.913 6.126 8.429 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -3.074 7.538 7.404 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -0.937 4.918 8.409 1.00 0.00 H new ATOM 0 HG22 ILE A 49 0.400 5.523 7.402 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -0.416 6.614 8.547 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -4.995 6.046 7.149 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -4.078 6.150 5.627 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -3.915 4.716 6.668 1.00 0.00 H new ATOM 761 N ASN A 50 0.252 8.488 7.725 1.00 0.00 N ATOM 762 CA ASN A 50 0.582 9.553 8.665 1.00 0.00 C ATOM 763 C ASN A 50 1.046 10.810 7.935 1.00 0.00 C ATOM 764 O ASN A 50 0.770 11.930 8.361 1.00 0.00 O ATOM 765 CB ASN A 50 1.668 9.085 9.635 1.00 0.00 C ATOM 766 CG ASN A 50 1.592 9.792 10.974 1.00 0.00 C ATOM 767 OD1 ASN A 50 0.808 9.416 11.844 1.00 0.00 O ATOM 768 ND2 ASN A 50 2.410 10.824 11.145 1.00 0.00 N ATOM 0 H ASN A 50 0.888 7.691 7.748 1.00 0.00 H new ATOM 0 HA ASN A 50 -0.321 9.796 9.225 1.00 0.00 H new ATOM 0 HB2 ASN A 50 1.575 8.010 9.789 1.00 0.00 H new ATOM 0 HB3 ASN A 50 2.648 9.259 9.190 1.00 0.00 H new ATOM 0 HD21 ASN A 50 2.404 11.339 12.025 1.00 0.00 H new ATOM 0 HD22 ASN A 50 3.044 11.102 10.396 1.00 0.00 H new ATOM 775 N TYR A 51 1.767 10.610 6.842 1.00 0.00 N ATOM 776 CA TYR A 51 2.295 11.713 6.050 1.00 0.00 C ATOM 777 C TYR A 51 1.175 12.489 5.362 1.00 0.00 C ATOM 778 O TYR A 51 1.185 13.719 5.338 1.00 0.00 O ATOM 779 CB TYR A 51 3.285 11.153 5.025 1.00 0.00 C ATOM 780 CG TYR A 51 3.679 12.097 3.917 1.00 0.00 C ATOM 781 CD1 TYR A 51 3.648 13.475 4.084 1.00 0.00 C ATOM 782 CD2 TYR A 51 4.089 11.594 2.692 1.00 0.00 C ATOM 783 CE1 TYR A 51 4.015 14.324 3.057 1.00 0.00 C ATOM 784 CE2 TYR A 51 4.456 12.430 1.664 1.00 0.00 C ATOM 785 CZ TYR A 51 4.418 13.796 1.848 1.00 0.00 C ATOM 786 OH TYR A 51 4.784 14.636 0.822 1.00 0.00 O ATOM 0 H TYR A 51 2.002 9.686 6.480 1.00 0.00 H new ATOM 0 HA TYR A 51 2.808 12.414 6.708 1.00 0.00 H new ATOM 0 HB2 TYR A 51 4.188 10.841 5.551 1.00 0.00 H new ATOM 0 HB3 TYR A 51 2.851 10.258 4.579 1.00 0.00 H new ATOM 0 HD1 TYR A 51 3.333 13.889 5.030 1.00 0.00 H new ATOM 0 HD2 TYR A 51 4.121 10.525 2.542 1.00 0.00 H new ATOM 0 HE1 TYR A 51 3.986 15.394 3.200 1.00 0.00 H new ATOM 0 HE2 TYR A 51 4.773 12.019 0.717 1.00 0.00 H new ATOM 0 HH TYR A 51 5.042 14.104 0.040 1.00 0.00 H new ATOM 796 N TYR A 52 0.217 11.766 4.801 1.00 0.00 N ATOM 797 CA TYR A 52 -0.903 12.386 4.106 1.00 0.00 C ATOM 798 C TYR A 52 -1.825 13.127 5.070 1.00 0.00 C ATOM 799 O TYR A 52 -2.359 14.184 4.737 1.00 0.00 O ATOM 800 CB TYR A 52 -1.694 11.331 3.335 1.00 0.00 C ATOM 801 CG TYR A 52 -0.962 10.797 2.128 1.00 0.00 C ATOM 802 CD1 TYR A 52 -0.410 11.662 1.192 1.00 0.00 C ATOM 803 CD2 TYR A 52 -0.817 9.432 1.926 1.00 0.00 C ATOM 804 CE1 TYR A 52 0.266 11.181 0.088 1.00 0.00 C ATOM 805 CE2 TYR A 52 -0.140 8.942 0.827 1.00 0.00 C ATOM 806 CZ TYR A 52 0.400 9.820 -0.090 1.00 0.00 C ATOM 807 OH TYR A 52 1.079 9.340 -1.185 1.00 0.00 O ATOM 0 H TYR A 52 0.192 10.746 4.813 1.00 0.00 H new ATOM 0 HA TYR A 52 -0.494 13.116 3.407 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -1.929 10.503 4.004 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -2.643 11.761 3.014 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -0.511 12.728 1.330 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -1.241 8.741 2.640 1.00 0.00 H new ATOM 0 HE1 TYR A 52 0.687 11.867 -0.632 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -0.034 7.877 0.686 1.00 0.00 H new ATOM 0 HH TYR A 52 1.841 8.801 -0.887 1.00 0.00 H new ATOM 817 N ARG A 53 -2.020 12.568 6.261 1.00 0.00 N ATOM 818 CA ARG A 53 -2.893 13.190 7.254 1.00 0.00 C ATOM 819 C ARG A 53 -2.445 14.609 7.607 1.00 0.00 C ATOM 820 O ARG A 53 -3.241 15.411 8.097 1.00 0.00 O ATOM 821 CB ARG A 53 -2.954 12.332 8.523 1.00 0.00 C ATOM 822 CG ARG A 53 -1.706 12.414 9.392 1.00 0.00 C ATOM 823 CD ARG A 53 -2.056 12.681 10.848 1.00 0.00 C ATOM 824 NE ARG A 53 -2.321 11.444 11.579 1.00 0.00 N ATOM 825 CZ ARG A 53 -2.991 11.392 12.729 1.00 0.00 C ATOM 826 NH1 ARG A 53 -3.460 12.503 13.284 1.00 0.00 N ATOM 827 NH2 ARG A 53 -3.190 10.225 13.326 1.00 0.00 N ATOM 0 H ARG A 53 -1.590 11.693 6.561 1.00 0.00 H new ATOM 0 HA ARG A 53 -3.887 13.257 6.811 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -3.816 12.639 9.115 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -3.117 11.293 8.238 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -1.147 11.481 9.316 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -1.055 13.206 9.022 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -1.236 13.217 11.326 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -2.932 13.328 10.898 1.00 0.00 H new ATOM 0 HE ARG A 53 -1.973 10.570 11.186 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -3.308 13.403 12.830 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -3.972 12.456 14.165 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -2.830 9.369 12.905 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -3.703 10.184 14.207 1.00 0.00 H new ATOM 841 N GLN A 54 -1.169 14.910 7.388 1.00 0.00 N ATOM 842 CA GLN A 54 -0.634 16.227 7.724 1.00 0.00 C ATOM 843 C GLN A 54 -0.529 17.154 6.512 1.00 0.00 C ATOM 844 O GLN A 54 -0.395 18.367 6.673 1.00 0.00 O ATOM 845 CB GLN A 54 0.739 16.080 8.380 1.00 0.00 C ATOM 846 CG GLN A 54 0.672 15.672 9.843 1.00 0.00 C ATOM 847 CD GLN A 54 1.461 14.411 10.135 1.00 0.00 C ATOM 848 OE1 GLN A 54 0.933 13.452 10.698 1.00 0.00 O ATOM 849 NE2 GLN A 54 2.733 14.407 9.754 1.00 0.00 N ATOM 0 H GLN A 54 -0.490 14.266 6.983 1.00 0.00 H new ATOM 0 HA GLN A 54 -1.337 16.686 8.419 1.00 0.00 H new ATOM 0 HB2 GLN A 54 1.318 15.338 7.830 1.00 0.00 H new ATOM 0 HB3 GLN A 54 1.275 17.026 8.299 1.00 0.00 H new ATOM 0 HG2 GLN A 54 1.053 16.485 10.461 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -0.369 15.518 10.126 1.00 0.00 H new ATOM 0 HE21 GLN A 54 3.129 15.225 9.290 1.00 0.00 H new ATOM 0 HE22 GLN A 54 3.314 13.586 9.925 1.00 0.00 H new ATOM 858 N GLN A 55 -0.578 16.599 5.305 1.00 0.00 N ATOM 859 CA GLN A 55 -0.472 17.420 4.100 1.00 0.00 C ATOM 860 C GLN A 55 -1.829 17.613 3.425 1.00 0.00 C ATOM 861 O GLN A 55 -1.957 17.469 2.209 1.00 0.00 O ATOM 862 CB GLN A 55 0.527 16.812 3.114 1.00 0.00 C ATOM 863 CG GLN A 55 0.231 15.369 2.750 1.00 0.00 C ATOM 864 CD GLN A 55 1.139 14.849 1.654 1.00 0.00 C ATOM 865 OE1 GLN A 55 1.454 15.563 0.703 1.00 0.00 O ATOM 866 NE2 GLN A 55 1.569 13.599 1.783 1.00 0.00 N ATOM 0 H GLN A 55 -0.689 15.600 5.134 1.00 0.00 H new ATOM 0 HA GLN A 55 -0.110 18.401 4.409 1.00 0.00 H new ATOM 0 HB2 GLN A 55 0.535 17.412 2.204 1.00 0.00 H new ATOM 0 HB3 GLN A 55 1.527 16.870 3.543 1.00 0.00 H new ATOM 0 HG2 GLN A 55 0.342 14.744 3.636 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -0.807 15.284 2.428 1.00 0.00 H new ATOM 0 HE21 GLN A 55 1.283 13.042 2.588 1.00 0.00 H new ATOM 0 HE22 GLN A 55 2.185 13.196 1.077 1.00 0.00 H new ATOM 927 N PRO A 60 -11.149 19.738 8.816 1.00 0.00 N ATOM 928 CA PRO A 60 -10.675 18.436 9.302 1.00 0.00 C ATOM 929 C PRO A 60 -11.453 17.259 8.721 1.00 0.00 C ATOM 930 O PRO A 60 -10.971 16.126 8.729 1.00 0.00 O ATOM 931 CB PRO A 60 -10.884 18.514 10.821 1.00 0.00 C ATOM 932 CG PRO A 60 -11.885 19.600 11.019 1.00 0.00 C ATOM 933 CD PRO A 60 -11.641 20.586 9.914 1.00 0.00 C ATOM 0 HA PRO A 60 -9.641 18.259 9.006 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -11.247 17.566 11.218 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -9.950 18.739 11.337 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -12.901 19.208 10.976 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -11.765 20.069 11.996 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -12.553 21.116 9.637 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -10.908 21.340 10.201 1.00 0.00 H new ATOM 941 N GLN A 61 -12.656 17.522 8.217 1.00 0.00 N ATOM 942 CA GLN A 61 -13.479 16.465 7.640 1.00 0.00 C ATOM 943 C GLN A 61 -12.896 15.985 6.316 1.00 0.00 C ATOM 944 O GLN A 61 -12.893 14.789 6.025 1.00 0.00 O ATOM 945 CB GLN A 61 -14.916 16.951 7.439 1.00 0.00 C ATOM 946 CG GLN A 61 -15.021 18.230 6.626 1.00 0.00 C ATOM 947 CD GLN A 61 -15.556 17.991 5.228 1.00 0.00 C ATOM 948 OE1 GLN A 61 -16.634 17.426 5.051 1.00 0.00 O ATOM 949 NE2 GLN A 61 -14.800 18.423 4.224 1.00 0.00 N ATOM 0 H GLN A 61 -13.079 18.450 8.197 1.00 0.00 H new ATOM 0 HA GLN A 61 -13.488 15.627 8.337 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -15.489 16.168 6.943 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -15.375 17.112 8.414 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -15.672 18.933 7.145 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -14.038 18.696 6.560 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -13.912 18.887 4.417 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -15.108 18.291 3.260 1.00 0.00 H new ATOM 958 N GLU A 62 -12.396 16.923 5.520 1.00 0.00 N ATOM 959 CA GLU A 62 -11.800 16.589 4.232 1.00 0.00 C ATOM 960 C GLU A 62 -10.578 15.706 4.438 1.00 0.00 C ATOM 961 O GLU A 62 -10.421 14.671 3.783 1.00 0.00 O ATOM 962 CB GLU A 62 -11.407 17.862 3.480 1.00 0.00 C ATOM 963 CG GLU A 62 -10.984 17.614 2.042 1.00 0.00 C ATOM 964 CD GLU A 62 -11.436 18.716 1.104 1.00 0.00 C ATOM 965 OE1 GLU A 62 -12.643 18.764 0.784 1.00 0.00 O ATOM 966 OE2 GLU A 62 -10.585 19.531 0.691 1.00 0.00 O ATOM 0 H GLU A 62 -12.391 17.918 5.743 1.00 0.00 H new ATOM 0 HA GLU A 62 -12.535 16.046 3.637 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -12.250 18.553 3.488 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -10.590 18.350 4.011 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -9.899 17.525 1.996 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -11.396 16.663 1.705 1.00 0.00 H new ATOM 973 N ARG A 63 -9.723 16.106 5.376 1.00 0.00 N ATOM 974 CA ARG A 63 -8.528 15.339 5.686 1.00 0.00 C ATOM 975 C ARG A 63 -8.917 13.927 6.097 1.00 0.00 C ATOM 976 O ARG A 63 -8.362 12.947 5.600 1.00 0.00 O ATOM 977 CB ARG A 63 -7.735 16.005 6.814 1.00 0.00 C ATOM 978 CG ARG A 63 -7.645 17.518 6.694 1.00 0.00 C ATOM 979 CD ARG A 63 -6.480 18.070 7.499 1.00 0.00 C ATOM 980 NE ARG A 63 -6.310 19.508 7.305 1.00 0.00 N ATOM 981 CZ ARG A 63 -5.610 20.288 8.126 1.00 0.00 C ATOM 982 NH1 ARG A 63 -5.018 19.775 9.197 1.00 0.00 N ATOM 983 NH2 ARG A 63 -5.503 21.585 7.875 1.00 0.00 N ATOM 0 H ARG A 63 -9.838 16.954 5.931 1.00 0.00 H new ATOM 0 HA ARG A 63 -7.900 15.300 4.796 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -8.198 15.753 7.768 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -6.727 15.591 6.830 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -7.529 17.795 5.646 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -8.575 17.968 7.042 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -6.641 17.864 8.557 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -5.564 17.555 7.210 1.00 0.00 H new ATOM 0 HE ARG A 63 -6.753 19.939 6.494 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -5.098 18.778 9.395 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -4.483 20.378 9.822 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -5.957 21.985 7.054 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -4.967 22.184 8.503 1.00 0.00 H new ATOM 997 N ASP A 64 -9.868 13.834 7.022 1.00 0.00 N ATOM 998 CA ASP A 64 -10.318 12.541 7.515 1.00 0.00 C ATOM 999 C ASP A 64 -10.775 11.643 6.369 1.00 0.00 C ATOM 1000 O ASP A 64 -10.460 10.450 6.352 1.00 0.00 O ATOM 1001 CB ASP A 64 -11.457 12.724 8.520 1.00 0.00 C ATOM 1002 CG ASP A 64 -10.973 12.679 9.957 1.00 0.00 C ATOM 1003 OD1 ASP A 64 -10.762 11.564 10.478 1.00 0.00 O ATOM 1004 OD2 ASP A 64 -10.803 13.760 10.560 1.00 0.00 O ATOM 0 H ASP A 64 -10.338 14.636 7.442 1.00 0.00 H new ATOM 0 HA ASP A 64 -9.475 12.060 8.011 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -11.951 13.678 8.336 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -12.203 11.944 8.366 1.00 0.00 H new ATOM 1009 N LYS A 65 -11.510 12.196 5.401 1.00 0.00 N ATOM 1010 CA LYS A 65 -11.980 11.405 4.272 1.00 0.00 C ATOM 1011 C LYS A 65 -10.807 10.937 3.422 1.00 0.00 C ATOM 1012 O LYS A 65 -10.835 9.848 2.849 1.00 0.00 O ATOM 1013 CB LYS A 65 -12.949 12.232 3.421 1.00 0.00 C ATOM 1014 CG LYS A 65 -13.450 11.512 2.178 1.00 0.00 C ATOM 1015 CD LYS A 65 -13.659 12.480 1.021 1.00 0.00 C ATOM 1016 CE LYS A 65 -15.104 12.488 0.546 1.00 0.00 C ATOM 1017 NZ LYS A 65 -15.254 11.840 -0.785 1.00 0.00 N ATOM 0 H LYS A 65 -11.788 13.177 5.380 1.00 0.00 H new ATOM 0 HA LYS A 65 -12.501 10.528 4.655 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -13.805 12.515 4.034 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -12.454 13.155 3.119 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -12.733 10.744 1.887 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -14.388 11.004 2.403 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -13.373 13.485 1.331 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -13.006 12.204 0.193 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -15.728 11.970 1.274 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -15.463 13.516 0.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -16.253 11.866 -1.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -14.678 12.349 -1.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -14.936 10.852 -0.728 1.00 0.00 H new ATOM 1031 N ALA A 66 -9.768 11.760 3.354 1.00 0.00 N ATOM 1032 CA ALA A 66 -8.582 11.414 2.587 1.00 0.00 C ATOM 1033 C ALA A 66 -7.823 10.285 3.271 1.00 0.00 C ATOM 1034 O ALA A 66 -7.250 9.417 2.613 1.00 0.00 O ATOM 1035 CB ALA A 66 -7.686 12.630 2.410 1.00 0.00 C ATOM 0 H ALA A 66 -9.724 12.667 3.819 1.00 0.00 H new ATOM 0 HA ALA A 66 -8.894 11.074 1.600 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -6.804 12.351 1.834 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -8.233 13.411 1.882 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -7.378 13.001 3.388 1.00 0.00 H new ATOM 1041 N LEU A 67 -7.824 10.308 4.601 1.00 0.00 N ATOM 1042 CA LEU A 67 -7.135 9.292 5.388 1.00 0.00 C ATOM 1043 C LEU A 67 -7.845 7.947 5.310 1.00 0.00 C ATOM 1044 O LEU A 67 -7.198 6.900 5.316 1.00 0.00 O ATOM 1045 CB LEU A 67 -7.014 9.740 6.851 1.00 0.00 C ATOM 1046 CG LEU A 67 -5.621 10.209 7.296 1.00 0.00 C ATOM 1047 CD1 LEU A 67 -4.806 10.730 6.118 1.00 0.00 C ATOM 1048 CD2 LEU A 67 -5.744 11.278 8.371 1.00 0.00 C ATOM 0 H LEU A 67 -8.296 11.021 5.157 1.00 0.00 H new ATOM 0 HA LEU A 67 -6.137 9.170 4.967 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -7.721 10.552 7.022 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -7.319 8.912 7.491 1.00 0.00 H new ATOM 0 HG LEU A 67 -5.094 9.349 7.710 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.826 11.054 6.468 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.684 9.937 5.381 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -5.325 11.573 5.661 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -4.749 11.602 8.678 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -6.297 12.130 7.975 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -6.274 10.869 9.231 1.00 0.00 H new ATOM 1060 N GLN A 68 -9.171 7.967 5.220 1.00 0.00 N ATOM 1061 CA GLN A 68 -9.926 6.725 5.124 1.00 0.00 C ATOM 1062 C GLN A 68 -9.744 6.112 3.742 1.00 0.00 C ATOM 1063 O GLN A 68 -9.489 4.915 3.611 1.00 0.00 O ATOM 1064 CB GLN A 68 -11.411 6.959 5.412 1.00 0.00 C ATOM 1065 CG GLN A 68 -12.039 8.039 4.551 1.00 0.00 C ATOM 1066 CD GLN A 68 -13.512 8.239 4.846 1.00 0.00 C ATOM 1067 OE1 GLN A 68 -13.881 8.745 5.906 1.00 0.00 O ATOM 1068 NE2 GLN A 68 -14.363 7.842 3.907 1.00 0.00 N ATOM 0 H GLN A 68 -9.737 8.816 5.212 1.00 0.00 H new ATOM 0 HA GLN A 68 -9.544 6.033 5.874 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -11.953 6.025 5.260 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -11.530 7.229 6.461 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -11.510 8.979 4.710 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -11.915 7.778 3.500 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -14.013 7.428 3.043 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -15.367 7.952 4.049 1.00 0.00 H new ATOM 1077 N GLU A 69 -9.873 6.941 2.709 1.00 0.00 N ATOM 1078 CA GLU A 69 -9.716 6.477 1.338 1.00 0.00 C ATOM 1079 C GLU A 69 -8.307 5.948 1.112 1.00 0.00 C ATOM 1080 O GLU A 69 -8.109 4.968 0.393 1.00 0.00 O ATOM 1081 CB GLU A 69 -10.014 7.609 0.353 1.00 0.00 C ATOM 1082 CG GLU A 69 -11.470 7.676 -0.080 1.00 0.00 C ATOM 1083 CD GLU A 69 -11.730 6.924 -1.372 1.00 0.00 C ATOM 1084 OE1 GLU A 69 -11.324 7.425 -2.442 1.00 0.00 O ATOM 1085 OE2 GLU A 69 -12.338 5.835 -1.312 1.00 0.00 O ATOM 0 H GLU A 69 -10.085 7.935 2.797 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.426 5.667 1.168 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.736 8.559 0.810 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -9.387 7.485 -0.530 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -12.099 7.264 0.709 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -11.760 8.719 -0.206 1.00 0.00 H new ATOM 1092 N LEU A 70 -7.326 6.591 1.740 1.00 0.00 N ATOM 1093 CA LEU A 70 -5.940 6.162 1.609 1.00 0.00 C ATOM 1094 C LEU A 70 -5.767 4.789 2.244 1.00 0.00 C ATOM 1095 O LEU A 70 -5.201 3.876 1.643 1.00 0.00 O ATOM 1096 CB LEU A 70 -5.003 7.174 2.283 1.00 0.00 C ATOM 1097 CG LEU A 70 -4.037 7.914 1.352 1.00 0.00 C ATOM 1098 CD1 LEU A 70 -2.849 7.032 1.004 1.00 0.00 C ATOM 1099 CD2 LEU A 70 -4.750 8.380 0.091 1.00 0.00 C ATOM 0 H LEU A 70 -7.465 7.404 2.340 1.00 0.00 H new ATOM 0 HA LEU A 70 -5.686 6.104 0.551 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -5.612 7.912 2.804 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -4.419 6.651 3.040 1.00 0.00 H new ATOM 0 HG LEU A 70 -3.667 8.795 1.876 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -2.174 7.575 0.342 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -2.320 6.758 1.917 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -3.200 6.130 0.503 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.044 8.903 -0.554 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -5.155 7.517 -0.438 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -5.563 9.054 0.361 1.00 0.00 H new ATOM 1111 N ARG A 71 -6.256 4.661 3.471 1.00 0.00 N ATOM 1112 CA ARG A 71 -6.162 3.411 4.212 1.00 0.00 C ATOM 1113 C ARG A 71 -6.852 2.272 3.470 1.00 0.00 C ATOM 1114 O ARG A 71 -6.353 1.147 3.451 1.00 0.00 O ATOM 1115 CB ARG A 71 -6.776 3.574 5.602 1.00 0.00 C ATOM 1116 CG ARG A 71 -6.504 2.398 6.528 1.00 0.00 C ATOM 1117 CD ARG A 71 -5.685 2.815 7.739 1.00 0.00 C ATOM 1118 NE ARG A 71 -5.768 1.836 8.820 1.00 0.00 N ATOM 1119 CZ ARG A 71 -6.832 1.688 9.605 1.00 0.00 C ATOM 1120 NH1 ARG A 71 -7.904 2.453 9.435 1.00 0.00 N ATOM 1121 NH2 ARG A 71 -6.826 0.772 10.564 1.00 0.00 N ATOM 0 H ARG A 71 -6.724 5.413 3.976 1.00 0.00 H new ATOM 0 HA ARG A 71 -5.106 3.161 4.311 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -6.385 4.483 6.059 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -7.853 3.705 5.501 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -7.450 1.968 6.858 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -5.974 1.619 5.981 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -4.643 2.943 7.445 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -6.036 3.782 8.098 1.00 0.00 H new ATOM 0 HE ARG A 71 -4.963 1.231 8.982 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -7.915 3.159 8.699 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -8.716 2.334 10.040 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -6.006 0.181 10.700 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -7.642 0.658 11.166 1.00 0.00 H new ATOM 1135 N GLN A 72 -7.997 2.561 2.856 1.00 0.00 N ATOM 1136 CA GLN A 72 -8.737 1.546 2.116 1.00 0.00 C ATOM 1137 C GLN A 72 -8.029 1.209 0.811 1.00 0.00 C ATOM 1138 O GLN A 72 -7.797 0.040 0.503 1.00 0.00 O ATOM 1139 CB GLN A 72 -10.161 2.031 1.828 1.00 0.00 C ATOM 1140 CG GLN A 72 -11.179 1.578 2.860 1.00 0.00 C ATOM 1141 CD GLN A 72 -12.507 2.299 2.724 1.00 0.00 C ATOM 1142 OE1 GLN A 72 -12.717 3.354 3.321 1.00 0.00 O ATOM 1143 NE2 GLN A 72 -13.412 1.729 1.937 1.00 0.00 N ATOM 0 H GLN A 72 -8.429 3.485 2.857 1.00 0.00 H new ATOM 0 HA GLN A 72 -8.786 0.645 2.728 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -10.162 3.120 1.782 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -10.467 1.670 0.846 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -11.340 0.505 2.759 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -10.778 1.748 3.859 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -13.195 0.853 1.461 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -14.324 2.167 1.808 1.00 0.00 H new ATOM 1152 N GLU A 73 -7.679 2.241 0.050 1.00 0.00 N ATOM 1153 CA GLU A 73 -6.988 2.054 -1.220 1.00 0.00 C ATOM 1154 C GLU A 73 -5.697 1.272 -1.014 1.00 0.00 C ATOM 1155 O GLU A 73 -5.401 0.339 -1.757 1.00 0.00 O ATOM 1156 CB GLU A 73 -6.684 3.407 -1.866 1.00 0.00 C ATOM 1157 CG GLU A 73 -7.862 4.000 -2.620 1.00 0.00 C ATOM 1158 CD GLU A 73 -8.118 3.303 -3.943 1.00 0.00 C ATOM 1159 OE1 GLU A 73 -7.337 3.526 -4.892 1.00 0.00 O ATOM 1160 OE2 GLU A 73 -9.099 2.536 -4.030 1.00 0.00 O ATOM 0 H GLU A 73 -7.863 3.215 0.291 1.00 0.00 H new ATOM 0 HA GLU A 73 -7.639 1.486 -1.885 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -6.369 4.107 -1.092 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -5.845 3.292 -2.552 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -8.756 3.934 -2.000 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -7.677 5.059 -2.801 1.00 0.00 H new ATOM 1167 N LEU A 74 -4.939 1.650 0.009 1.00 0.00 N ATOM 1168 CA LEU A 74 -3.690 0.972 0.317 1.00 0.00 C ATOM 1169 C LEU A 74 -3.968 -0.454 0.790 1.00 0.00 C ATOM 1170 O LEU A 74 -3.313 -1.402 0.360 1.00 0.00 O ATOM 1171 CB LEU A 74 -2.939 1.760 1.397 1.00 0.00 C ATOM 1172 CG LEU A 74 -1.596 1.183 1.850 1.00 0.00 C ATOM 1173 CD1 LEU A 74 -1.798 0.178 2.976 1.00 0.00 C ATOM 1174 CD2 LEU A 74 -0.849 0.550 0.681 1.00 0.00 C ATOM 0 H LEU A 74 -5.169 2.421 0.637 1.00 0.00 H new ATOM 0 HA LEU A 74 -3.073 0.920 -0.580 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.769 2.771 1.026 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.586 1.845 2.270 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.985 2.002 2.229 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -0.832 -0.221 3.285 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -2.274 0.672 3.823 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -2.433 -0.637 2.627 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.102 0.148 1.031 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -1.450 -0.255 0.259 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -0.664 1.304 -0.084 1.00 0.00 H new ATOM 1186 N ASN A 75 -4.940 -0.593 1.689 1.00 0.00 N ATOM 1187 CA ASN A 75 -5.300 -1.901 2.236 1.00 0.00 C ATOM 1188 C ASN A 75 -5.586 -2.900 1.120 1.00 0.00 C ATOM 1189 O ASN A 75 -5.210 -4.068 1.205 1.00 0.00 O ATOM 1190 CB ASN A 75 -6.520 -1.779 3.152 1.00 0.00 C ATOM 1191 CG ASN A 75 -6.837 -3.078 3.866 1.00 0.00 C ATOM 1192 OD1 ASN A 75 -5.941 -3.855 4.195 1.00 0.00 O ATOM 1193 ND2 ASN A 75 -8.119 -3.319 4.112 1.00 0.00 N ATOM 0 H ASN A 75 -5.492 0.183 2.054 1.00 0.00 H new ATOM 0 HA ASN A 75 -4.453 -2.266 2.817 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -6.341 -0.996 3.889 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -7.384 -1.471 2.563 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -8.394 -4.176 4.592 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -8.829 -2.647 3.821 1.00 0.00 H new ATOM 1200 N THR A 76 -6.228 -2.422 0.061 1.00 0.00 N ATOM 1201 CA THR A 76 -6.527 -3.277 -1.080 1.00 0.00 C ATOM 1202 C THR A 76 -5.297 -3.389 -1.972 1.00 0.00 C ATOM 1203 O THR A 76 -4.877 -4.481 -2.342 1.00 0.00 O ATOM 1204 CB THR A 76 -7.706 -2.715 -1.876 1.00 0.00 C ATOM 1205 OG1 THR A 76 -7.768 -1.305 -1.752 1.00 0.00 O ATOM 1206 CG2 THR A 76 -9.044 -3.273 -1.440 1.00 0.00 C ATOM 0 H THR A 76 -6.548 -1.458 -0.031 1.00 0.00 H new ATOM 0 HA THR A 76 -6.799 -4.268 -0.717 1.00 0.00 H new ATOM 0 HB THR A 76 -7.525 -3.014 -2.909 1.00 0.00 H new ATOM 0 HG1 THR A 76 -8.129 -1.070 -0.872 1.00 0.00 H new ATOM 0 HG21 THR A 76 -9.836 -2.833 -2.045 1.00 0.00 H new ATOM 0 HG22 THR A 76 -9.047 -4.355 -1.570 1.00 0.00 H new ATOM 0 HG23 THR A 76 -9.213 -3.033 -0.390 1.00 0.00 H new ATOM 1214 N LEU A 77 -4.743 -2.236 -2.320 1.00 0.00 N ATOM 1215 CA LEU A 77 -3.568 -2.153 -3.185 1.00 0.00 C ATOM 1216 C LEU A 77 -2.445 -3.098 -2.740 1.00 0.00 C ATOM 1217 O LEU A 77 -1.826 -3.767 -3.568 1.00 0.00 O ATOM 1218 CB LEU A 77 -3.051 -0.710 -3.214 1.00 0.00 C ATOM 1219 CG LEU A 77 -3.763 0.226 -4.197 1.00 0.00 C ATOM 1220 CD1 LEU A 77 -3.012 1.543 -4.315 1.00 0.00 C ATOM 1221 CD2 LEU A 77 -3.907 -0.430 -5.563 1.00 0.00 C ATOM 0 H LEU A 77 -5.094 -1.329 -2.012 1.00 0.00 H new ATOM 0 HA LEU A 77 -3.875 -2.463 -4.184 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.139 -0.291 -2.212 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -1.989 -0.728 -3.460 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.762 0.429 -3.811 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.531 2.196 -5.017 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -2.965 2.024 -3.338 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.001 1.354 -4.675 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.415 0.254 -6.243 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.919 -0.668 -5.958 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -4.490 -1.346 -5.467 1.00 0.00 H new ATOM 1233 N ALA A 78 -2.176 -3.136 -1.439 1.00 0.00 N ATOM 1234 CA ALA A 78 -1.115 -3.987 -0.893 1.00 0.00 C ATOM 1235 C ALA A 78 -1.516 -5.464 -0.845 1.00 0.00 C ATOM 1236 O ALA A 78 -0.660 -6.348 -0.861 1.00 0.00 O ATOM 1237 CB ALA A 78 -0.725 -3.504 0.496 1.00 0.00 C ATOM 0 H ALA A 78 -2.677 -2.588 -0.739 1.00 0.00 H new ATOM 0 HA ALA A 78 -0.259 -3.909 -1.564 1.00 0.00 H new ATOM 0 HB1 ALA A 78 0.064 -4.142 0.895 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -0.366 -2.477 0.436 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -1.593 -3.547 1.153 1.00 0.00 H new ATOM 1243 N ASN A 79 -2.814 -5.718 -0.735 1.00 0.00 N ATOM 1244 CA ASN A 79 -3.325 -7.086 -0.625 1.00 0.00 C ATOM 1245 C ASN A 79 -2.785 -8.014 -1.721 1.00 0.00 C ATOM 1246 O ASN A 79 -2.315 -9.111 -1.421 1.00 0.00 O ATOM 1247 CB ASN A 79 -4.856 -7.076 -0.662 1.00 0.00 C ATOM 1248 CG ASN A 79 -5.468 -7.594 0.626 1.00 0.00 C ATOM 1249 OD1 ASN A 79 -5.087 -8.652 1.127 1.00 0.00 O ATOM 1250 ND2 ASN A 79 -6.425 -6.849 1.167 1.00 0.00 N ATOM 0 H ASN A 79 -3.535 -4.997 -0.719 1.00 0.00 H new ATOM 0 HA ASN A 79 -2.975 -7.480 0.329 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -5.206 -6.060 -0.845 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -5.201 -7.687 -1.496 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -6.876 -7.147 2.032 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -6.709 -5.979 0.717 1.00 0.00 H new ATOM 1257 N PRO A 80 -2.850 -7.611 -3.001 1.00 0.00 N ATOM 1258 CA PRO A 80 -2.368 -8.448 -4.107 1.00 0.00 C ATOM 1259 C PRO A 80 -0.850 -8.616 -4.114 1.00 0.00 C ATOM 1260 O PRO A 80 -0.336 -9.635 -4.580 1.00 0.00 O ATOM 1261 CB PRO A 80 -2.825 -7.689 -5.356 1.00 0.00 C ATOM 1262 CG PRO A 80 -2.959 -6.275 -4.912 1.00 0.00 C ATOM 1263 CD PRO A 80 -3.404 -6.335 -3.478 1.00 0.00 C ATOM 0 HA PRO A 80 -2.758 -9.463 -4.036 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -2.099 -7.783 -6.164 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -3.772 -8.078 -5.731 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -2.011 -5.745 -5.005 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -3.685 -5.740 -5.524 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -3.022 -5.491 -2.903 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -4.490 -6.312 -3.393 1.00 0.00 H new ATOM 1271 N PHE A 81 -0.133 -7.622 -3.599 1.00 0.00 N ATOM 1272 CA PHE A 81 1.325 -7.675 -3.559 1.00 0.00 C ATOM 1273 C PHE A 81 1.819 -8.682 -2.528 1.00 0.00 C ATOM 1274 O PHE A 81 2.615 -9.565 -2.842 1.00 0.00 O ATOM 1275 CB PHE A 81 1.900 -6.294 -3.241 1.00 0.00 C ATOM 1276 CG PHE A 81 3.404 -6.233 -3.305 1.00 0.00 C ATOM 1277 CD1 PHE A 81 4.136 -7.293 -3.821 1.00 0.00 C ATOM 1278 CD2 PHE A 81 4.084 -5.116 -2.852 1.00 0.00 C ATOM 1279 CE1 PHE A 81 5.510 -7.238 -3.882 1.00 0.00 C ATOM 1280 CE2 PHE A 81 5.463 -5.055 -2.911 1.00 0.00 C ATOM 1281 CZ PHE A 81 6.178 -6.119 -3.425 1.00 0.00 C ATOM 0 H PHE A 81 -0.536 -6.772 -3.204 1.00 0.00 H new ATOM 0 HA PHE A 81 1.668 -7.995 -4.543 1.00 0.00 H new ATOM 0 HB2 PHE A 81 1.486 -5.568 -3.941 1.00 0.00 H new ATOM 0 HB3 PHE A 81 1.576 -5.996 -2.244 1.00 0.00 H new ATOM 0 HD1 PHE A 81 3.621 -8.172 -4.179 1.00 0.00 H new ATOM 0 HD2 PHE A 81 3.530 -4.282 -2.447 1.00 0.00 H new ATOM 0 HE1 PHE A 81 6.066 -8.070 -4.287 1.00 0.00 H new ATOM 0 HE2 PHE A 81 5.981 -4.177 -2.556 1.00 0.00 H new ATOM 0 HZ PHE A 81 7.256 -6.076 -3.469 1.00 0.00 H new ATOM 1291 N LEU A 82 1.348 -8.543 -1.295 1.00 0.00 N ATOM 1292 CA LEU A 82 1.754 -9.445 -0.225 1.00 0.00 C ATOM 1293 C LEU A 82 1.439 -10.890 -0.588 1.00 0.00 C ATOM 1294 O LEU A 82 2.304 -11.760 -0.514 1.00 0.00 O ATOM 1295 CB LEU A 82 1.063 -9.063 1.085 1.00 0.00 C ATOM 1296 CG LEU A 82 1.383 -7.658 1.596 1.00 0.00 C ATOM 1297 CD1 LEU A 82 0.465 -7.287 2.751 1.00 0.00 C ATOM 1298 CD2 LEU A 82 2.842 -7.567 2.020 1.00 0.00 C ATOM 0 H LEU A 82 0.688 -7.818 -1.012 1.00 0.00 H new ATOM 0 HA LEU A 82 2.832 -9.353 -0.091 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.015 -9.147 0.948 1.00 0.00 H new ATOM 0 HB3 LEU A 82 1.344 -9.785 1.851 1.00 0.00 H new ATOM 0 HG LEU A 82 1.215 -6.949 0.785 1.00 0.00 H new ATOM 0 HD11 LEU A 82 0.708 -6.284 3.101 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -0.572 -7.313 2.415 1.00 0.00 H new ATOM 0 HD13 LEU A 82 0.600 -7.998 3.566 1.00 0.00 H new ATOM 0 HD21 LEU A 82 3.054 -6.561 2.381 1.00 0.00 H new ATOM 0 HD22 LEU A 82 3.035 -8.286 2.816 1.00 0.00 H new ATOM 0 HD23 LEU A 82 3.483 -7.789 1.167 1.00 0.00 H new ATOM 1310 N ALA A 83 0.197 -11.138 -0.985 1.00 0.00 N ATOM 1311 CA ALA A 83 -0.220 -12.481 -1.363 1.00 0.00 C ATOM 1312 C ALA A 83 0.658 -13.026 -2.479 1.00 0.00 C ATOM 1313 O ALA A 83 1.177 -14.141 -2.391 1.00 0.00 O ATOM 1314 CB ALA A 83 -1.684 -12.491 -1.776 1.00 0.00 C ATOM 0 H ALA A 83 -0.535 -10.431 -1.053 1.00 0.00 H new ATOM 0 HA ALA A 83 -0.105 -13.130 -0.495 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -1.976 -13.503 -2.055 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -2.299 -12.152 -0.943 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.827 -11.825 -2.627 1.00 0.00 H new ATOM 1320 N LYS A 84 0.840 -12.229 -3.521 1.00 0.00 N ATOM 1321 CA LYS A 84 1.679 -12.635 -4.640 1.00 0.00 C ATOM 1322 C LYS A 84 3.087 -12.940 -4.146 1.00 0.00 C ATOM 1323 O LYS A 84 3.695 -13.937 -4.534 1.00 0.00 O ATOM 1324 CB LYS A 84 1.720 -11.536 -5.704 1.00 0.00 C ATOM 1325 CG LYS A 84 0.658 -11.691 -6.780 1.00 0.00 C ATOM 1326 CD LYS A 84 0.714 -10.551 -7.786 1.00 0.00 C ATOM 1327 CE LYS A 84 0.538 -11.054 -9.209 1.00 0.00 C ATOM 1328 NZ LYS A 84 0.682 -9.959 -10.207 1.00 0.00 N ATOM 0 H LYS A 84 0.422 -11.304 -3.616 1.00 0.00 H new ATOM 0 HA LYS A 84 1.256 -13.534 -5.088 1.00 0.00 H new ATOM 0 HB2 LYS A 84 1.595 -10.568 -5.219 1.00 0.00 H new ATOM 0 HB3 LYS A 84 2.704 -11.533 -6.174 1.00 0.00 H new ATOM 0 HG2 LYS A 84 0.798 -12.641 -7.296 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -0.329 -11.722 -6.317 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -0.065 -9.824 -7.557 1.00 0.00 H new ATOM 0 HD3 LYS A 84 1.669 -10.033 -7.698 1.00 0.00 H new ATOM 0 HE2 LYS A 84 1.275 -11.830 -9.413 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -0.445 -11.513 -9.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 0.555 -10.343 -11.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -0.038 -9.230 -10.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 1.629 -9.538 -10.126 1.00 0.00 H new ATOM 1342 N TYR A 85 3.601 -12.061 -3.289 1.00 0.00 N ATOM 1343 CA TYR A 85 4.943 -12.247 -2.759 1.00 0.00 C ATOM 1344 C TYR A 85 5.041 -13.556 -1.980 1.00 0.00 C ATOM 1345 O TYR A 85 5.934 -14.365 -2.238 1.00 0.00 O ATOM 1346 CB TYR A 85 5.354 -11.081 -1.863 1.00 0.00 C ATOM 1347 CG TYR A 85 6.836 -11.074 -1.575 1.00 0.00 C ATOM 1348 CD1 TYR A 85 7.744 -10.680 -2.548 1.00 0.00 C ATOM 1349 CD2 TYR A 85 7.329 -11.484 -0.343 1.00 0.00 C ATOM 1350 CE1 TYR A 85 9.101 -10.690 -2.303 1.00 0.00 C ATOM 1351 CE2 TYR A 85 8.687 -11.500 -0.090 1.00 0.00 C ATOM 1352 CZ TYR A 85 9.568 -11.101 -1.074 1.00 0.00 C ATOM 1353 OH TYR A 85 10.920 -11.120 -0.828 1.00 0.00 O ATOM 0 H TYR A 85 3.117 -11.228 -2.953 1.00 0.00 H new ATOM 0 HA TYR A 85 5.625 -12.286 -3.608 1.00 0.00 H new ATOM 0 HB2 TYR A 85 5.075 -10.142 -2.341 1.00 0.00 H new ATOM 0 HB3 TYR A 85 4.804 -11.136 -0.924 1.00 0.00 H new ATOM 0 HD1 TYR A 85 7.381 -10.360 -3.514 1.00 0.00 H new ATOM 0 HD2 TYR A 85 6.640 -11.795 0.429 1.00 0.00 H new ATOM 0 HE1 TYR A 85 9.794 -10.377 -3.070 1.00 0.00 H new ATOM 0 HE2 TYR A 85 9.057 -11.823 0.872 1.00 0.00 H new ATOM 0 HH TYR A 85 11.138 -11.886 -0.257 1.00 0.00 H new ATOM 1363 N ARG A 86 4.139 -13.770 -1.020 1.00 0.00 N ATOM 1364 CA ARG A 86 4.175 -14.992 -0.221 1.00 0.00 C ATOM 1365 C ARG A 86 4.141 -16.224 -1.119 1.00 0.00 C ATOM 1366 O ARG A 86 4.750 -17.247 -0.808 1.00 0.00 O ATOM 1367 CB ARG A 86 3.015 -15.027 0.778 1.00 0.00 C ATOM 1368 CG ARG A 86 1.648 -15.168 0.132 1.00 0.00 C ATOM 1369 CD ARG A 86 0.610 -15.651 1.130 1.00 0.00 C ATOM 1370 NE ARG A 86 0.741 -17.079 1.411 1.00 0.00 N ATOM 1371 CZ ARG A 86 0.295 -17.663 2.520 1.00 0.00 C ATOM 1372 NH1 ARG A 86 -0.317 -16.948 3.457 1.00 0.00 N ATOM 1373 NH2 ARG A 86 0.458 -18.967 2.694 1.00 0.00 N ATOM 0 H ARG A 86 3.387 -13.124 -0.781 1.00 0.00 H new ATOM 0 HA ARG A 86 5.109 -14.999 0.341 1.00 0.00 H new ATOM 0 HB2 ARG A 86 3.167 -15.858 1.467 1.00 0.00 H new ATOM 0 HB3 ARG A 86 3.032 -14.113 1.372 1.00 0.00 H new ATOM 0 HG2 ARG A 86 1.338 -14.208 -0.281 1.00 0.00 H new ATOM 0 HG3 ARG A 86 1.708 -15.869 -0.701 1.00 0.00 H new ATOM 0 HD2 ARG A 86 0.711 -15.089 2.058 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -0.388 -15.448 0.741 1.00 0.00 H new ATOM 0 HE ARG A 86 1.203 -17.664 0.714 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -0.448 -15.945 3.329 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -0.656 -17.402 4.305 1.00 0.00 H new ATOM 0 HH21 ARG A 86 0.925 -19.523 1.978 1.00 0.00 H new ATOM 0 HH22 ARG A 86 0.116 -19.415 3.544 1.00 0.00 H new ATOM 1387 N ASP A 87 3.438 -16.113 -2.241 1.00 0.00 N ATOM 1388 CA ASP A 87 3.344 -17.214 -3.188 1.00 0.00 C ATOM 1389 C ASP A 87 4.671 -17.404 -3.915 1.00 0.00 C ATOM 1390 O ASP A 87 5.130 -18.533 -4.121 1.00 0.00 O ATOM 1391 CB ASP A 87 2.225 -16.954 -4.198 1.00 0.00 C ATOM 1392 CG ASP A 87 0.866 -17.373 -3.676 1.00 0.00 C ATOM 1393 OD1 ASP A 87 0.574 -18.588 -3.686 1.00 0.00 O ATOM 1394 OD2 ASP A 87 0.091 -16.486 -3.257 1.00 0.00 O ATOM 0 H ASP A 87 2.927 -15.274 -2.515 1.00 0.00 H new ATOM 0 HA ASP A 87 3.113 -18.125 -2.636 1.00 0.00 H new ATOM 0 HB2 ASP A 87 2.204 -15.893 -4.447 1.00 0.00 H new ATOM 0 HB3 ASP A 87 2.439 -17.494 -5.120 1.00 0.00 H new ATOM 1399 N PHE A 88 5.298 -16.291 -4.289 1.00 0.00 N ATOM 1400 CA PHE A 88 6.579 -16.339 -4.980 1.00 0.00 C ATOM 1401 C PHE A 88 7.611 -17.054 -4.118 1.00 0.00 C ATOM 1402 O PHE A 88 8.467 -17.776 -4.623 1.00 0.00 O ATOM 1403 CB PHE A 88 7.060 -14.922 -5.336 1.00 0.00 C ATOM 1404 CG PHE A 88 8.562 -14.764 -5.398 1.00 0.00 C ATOM 1405 CD1 PHE A 88 9.305 -15.356 -6.412 1.00 0.00 C ATOM 1406 CD2 PHE A 88 9.228 -14.020 -4.438 1.00 0.00 C ATOM 1407 CE1 PHE A 88 10.677 -15.206 -6.464 1.00 0.00 C ATOM 1408 CE2 PHE A 88 10.602 -13.868 -4.484 1.00 0.00 C ATOM 1409 CZ PHE A 88 11.327 -14.462 -5.500 1.00 0.00 C ATOM 0 H PHE A 88 4.940 -15.350 -4.125 1.00 0.00 H new ATOM 0 HA PHE A 88 6.452 -16.895 -5.909 1.00 0.00 H new ATOM 0 HB2 PHE A 88 6.638 -14.641 -6.301 1.00 0.00 H new ATOM 0 HB3 PHE A 88 6.664 -14.223 -4.600 1.00 0.00 H new ATOM 0 HD1 PHE A 88 8.803 -15.941 -7.169 1.00 0.00 H new ATOM 0 HD2 PHE A 88 8.667 -13.552 -3.643 1.00 0.00 H new ATOM 0 HE1 PHE A 88 11.241 -15.671 -7.259 1.00 0.00 H new ATOM 0 HE2 PHE A 88 11.108 -13.286 -3.727 1.00 0.00 H new ATOM 0 HZ PHE A 88 12.400 -14.344 -5.539 1.00 0.00 H new ATOM 1419 N LEU A 89 7.514 -16.851 -2.813 1.00 0.00 N ATOM 1420 CA LEU A 89 8.431 -17.482 -1.877 1.00 0.00 C ATOM 1421 C LEU A 89 8.045 -18.940 -1.641 1.00 0.00 C ATOM 1422 O LEU A 89 8.907 -19.812 -1.527 1.00 0.00 O ATOM 1423 CB LEU A 89 8.452 -16.716 -0.552 1.00 0.00 C ATOM 1424 CG LEU A 89 9.754 -15.969 -0.258 1.00 0.00 C ATOM 1425 CD1 LEU A 89 9.809 -14.666 -1.040 1.00 0.00 C ATOM 1426 CD2 LEU A 89 9.892 -15.706 1.234 1.00 0.00 C ATOM 0 H LEU A 89 6.810 -16.255 -2.378 1.00 0.00 H new ATOM 0 HA LEU A 89 9.431 -17.458 -2.310 1.00 0.00 H new ATOM 0 HB2 LEU A 89 7.631 -15.999 -0.551 1.00 0.00 H new ATOM 0 HB3 LEU A 89 8.262 -17.418 0.260 1.00 0.00 H new ATOM 0 HG LEU A 89 10.589 -16.593 -0.574 1.00 0.00 H new ATOM 0 HD11 LEU A 89 10.742 -14.148 -0.819 1.00 0.00 H new ATOM 0 HD12 LEU A 89 9.757 -14.880 -2.108 1.00 0.00 H new ATOM 0 HD13 LEU A 89 8.967 -14.035 -0.755 1.00 0.00 H new ATOM 0 HD21 LEU A 89 10.824 -15.174 1.425 1.00 0.00 H new ATOM 0 HD22 LEU A 89 9.052 -15.101 1.576 1.00 0.00 H new ATOM 0 HD23 LEU A 89 9.899 -16.654 1.771 1.00 0.00 H new ATOM 1438 N LYS A 90 6.742 -19.192 -1.555 1.00 0.00 N ATOM 1439 CA LYS A 90 6.234 -20.537 -1.316 1.00 0.00 C ATOM 1440 C LYS A 90 6.625 -21.497 -2.440 1.00 0.00 C ATOM 1441 O LYS A 90 6.766 -22.699 -2.211 1.00 0.00 O ATOM 1442 CB LYS A 90 4.708 -20.503 -1.130 1.00 0.00 C ATOM 1443 CG LYS A 90 3.908 -20.921 -2.357 1.00 0.00 C ATOM 1444 CD LYS A 90 2.413 -20.907 -2.077 1.00 0.00 C ATOM 1445 CE LYS A 90 1.635 -21.615 -3.174 1.00 0.00 C ATOM 1446 NZ LYS A 90 0.169 -21.606 -2.915 1.00 0.00 N ATOM 0 H LYS A 90 6.018 -18.480 -1.648 1.00 0.00 H new ATOM 0 HA LYS A 90 6.691 -20.910 -0.400 1.00 0.00 H new ATOM 0 HB2 LYS A 90 4.442 -21.157 -0.300 1.00 0.00 H new ATOM 0 HB3 LYS A 90 4.412 -19.493 -0.847 1.00 0.00 H new ATOM 0 HG2 LYS A 90 4.131 -20.248 -3.185 1.00 0.00 H new ATOM 0 HG3 LYS A 90 4.212 -21.920 -2.668 1.00 0.00 H new ATOM 0 HD2 LYS A 90 2.216 -21.390 -1.120 1.00 0.00 H new ATOM 0 HD3 LYS A 90 2.067 -19.877 -1.991 1.00 0.00 H new ATOM 0 HE2 LYS A 90 1.837 -21.133 -4.130 1.00 0.00 H new ATOM 0 HE3 LYS A 90 1.982 -22.645 -3.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -0.303 -22.264 -3.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -0.012 -21.901 -1.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -0.204 -20.646 -3.062 1.00 0.00 H new ATOM 1460 N SER A 91 6.807 -20.970 -3.652 1.00 0.00 N ATOM 1461 CA SER A 91 7.192 -21.816 -4.793 1.00 0.00 C ATOM 1462 C SER A 91 7.155 -21.086 -6.145 1.00 0.00 C ATOM 1463 O SER A 91 7.582 -21.648 -7.152 1.00 0.00 O ATOM 1464 CB SER A 91 6.286 -23.051 -4.863 1.00 0.00 C ATOM 1465 OG SER A 91 7.031 -24.240 -4.665 1.00 0.00 O ATOM 0 H SER A 91 6.698 -19.980 -3.872 1.00 0.00 H new ATOM 0 HA SER A 91 8.228 -22.105 -4.616 1.00 0.00 H new ATOM 0 HB2 SER A 91 5.505 -22.977 -4.106 1.00 0.00 H new ATOM 0 HB3 SER A 91 5.788 -23.087 -5.832 1.00 0.00 H new ATOM 0 HG SER A 91 7.310 -24.299 -3.727 1.00 0.00 H new