USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 698 hydrogens (24 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 68 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 149:sc= -0.14 (180deg=-0.987) USER MOD Single : A 1 MET N :NH3+ 169:sc= -2.21 (180deg=-2.82) USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 3 HIS : no HE2:sc= -3.68 K(o=-3.7,f=-5.7!) USER MOD Single : A 5 SER OG : rot 180:sc= -0.0313 USER MOD Single : A 9 GLN : amide:sc= -0.0203 X(o=-0.02,f=0) USER MOD Single : A 33 ASN : amide:sc=-0.00856 K(o=-0.0086,f=-1.6!) USER MOD Single : A 43 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00644) USER MOD Single : A 62 SER OG : rot 180:sc= 0.0747 USER MOD Single : A 65 HIS : no HE2:sc= -2.71 K(o=-2.7,f=-3.7!) USER MOD Single : A 80 THR OG1 : rot -37:sc= 0.0998 USER MOD Single : A 81 THR OG1 : rot -68:sc= 0.314 USER MOD Single : A 87 LYS NZ :NH3+ 156:sc= -1.57 (180deg=-2.61!) USER MOD Single : A 89 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.096 -4.909 -5.827 1.00 0.00 N ATOM 2 CA MET A 1 12.629 -4.245 -4.578 1.00 0.00 C ATOM 3 C MET A 1 11.173 -4.629 -4.312 1.00 0.00 C ATOM 4 O MET A 1 10.387 -3.831 -3.841 1.00 0.00 O ATOM 5 CB MET A 1 12.735 -2.725 -4.732 1.00 0.00 C ATOM 6 CG MET A 1 12.399 -2.326 -6.170 1.00 0.00 C ATOM 7 SD MET A 1 12.539 -0.529 -6.346 1.00 0.00 S ATOM 8 CE MET A 1 14.343 -0.427 -6.240 1.00 0.00 C ATOM 0 H1 MET A 1 14.013 -4.509 -6.111 1.00 0.00 H new ATOM 0 H2 MET A 1 13.201 -5.930 -5.659 1.00 0.00 H new ATOM 0 H3 MET A 1 12.401 -4.752 -6.584 1.00 0.00 H new ATOM 0 HA MET A 1 13.251 -4.568 -3.743 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.053 -2.232 -4.039 1.00 0.00 H new ATOM 0 HB3 MET A 1 13.742 -2.394 -4.479 1.00 0.00 H new ATOM 0 HG2 MET A 1 13.076 -2.824 -6.864 1.00 0.00 H new ATOM 0 HG3 MET A 1 11.389 -2.649 -6.422 1.00 0.00 H new ATOM 0 HE1 MET A 1 14.696 0.414 -6.837 1.00 0.00 H new ATOM 0 HE2 MET A 1 14.639 -0.284 -5.201 1.00 0.00 H new ATOM 0 HE3 MET A 1 14.782 -1.350 -6.618 1.00 0.00 H new ATOM 20 N GLN A 2 10.807 -5.845 -4.616 1.00 0.00 N ATOM 21 CA GLN A 2 9.401 -6.286 -4.386 1.00 0.00 C ATOM 22 C GLN A 2 8.446 -5.342 -5.116 1.00 0.00 C ATOM 23 O GLN A 2 7.431 -4.941 -4.583 1.00 0.00 O ATOM 24 CB GLN A 2 9.091 -6.265 -2.886 1.00 0.00 C ATOM 25 CG GLN A 2 10.025 -7.230 -2.155 1.00 0.00 C ATOM 26 CD GLN A 2 9.755 -7.160 -0.651 1.00 0.00 C ATOM 27 OE1 GLN A 2 9.131 -6.232 -0.176 1.00 0.00 O ATOM 28 NE2 GLN A 2 10.202 -8.110 0.125 1.00 0.00 N ATOM 0 H GLN A 2 11.423 -6.554 -5.015 1.00 0.00 H new ATOM 0 HA GLN A 2 9.275 -7.300 -4.766 1.00 0.00 H new ATOM 0 HB2 GLN A 2 9.215 -5.256 -2.493 1.00 0.00 H new ATOM 0 HB3 GLN A 2 8.053 -6.549 -2.715 1.00 0.00 H new ATOM 0 HG2 GLN A 2 9.870 -8.247 -2.516 1.00 0.00 H new ATOM 0 HG3 GLN A 2 11.064 -6.973 -2.361 1.00 0.00 H new ATOM 0 HE21 GLN A 2 10.726 -8.889 -0.273 1.00 0.00 H new ATOM 0 HE22 GLN A 2 10.027 -8.073 1.129 1.00 0.00 H new ATOM 37 N HIS A 3 8.761 -4.979 -6.332 1.00 0.00 N ATOM 38 CA HIS A 3 7.867 -4.055 -7.085 1.00 0.00 C ATOM 39 C HIS A 3 7.404 -2.938 -6.150 1.00 0.00 C ATOM 40 O HIS A 3 6.267 -2.511 -6.190 1.00 0.00 O ATOM 41 CB HIS A 3 6.650 -4.824 -7.608 1.00 0.00 C ATOM 42 CG HIS A 3 7.083 -5.814 -8.656 1.00 0.00 C ATOM 43 ND1 HIS A 3 6.274 -6.872 -9.050 1.00 0.00 N ATOM 44 CD2 HIS A 3 8.229 -5.919 -9.408 1.00 0.00 C ATOM 45 CE1 HIS A 3 6.936 -7.559 -10.000 1.00 0.00 C ATOM 46 NE2 HIS A 3 8.129 -7.019 -10.252 1.00 0.00 N ATOM 0 H HIS A 3 9.596 -5.282 -6.833 1.00 0.00 H new ATOM 0 HA HIS A 3 8.409 -3.629 -7.929 1.00 0.00 H new ATOM 0 HB2 HIS A 3 6.156 -5.343 -6.787 1.00 0.00 H new ATOM 0 HB3 HIS A 3 5.923 -4.129 -8.029 1.00 0.00 H new ATOM 0 HD1 HIS A 3 5.346 -7.089 -8.686 1.00 0.00 H new ATOM 0 HD2 HIS A 3 9.076 -5.251 -9.352 1.00 0.00 H new ATOM 0 HE1 HIS A 3 6.549 -8.437 -10.496 1.00 0.00 H new ATOM 55 N ALA A 4 8.277 -2.468 -5.302 1.00 0.00 N ATOM 56 CA ALA A 4 7.891 -1.386 -4.356 1.00 0.00 C ATOM 57 C ALA A 4 7.442 -0.152 -5.139 1.00 0.00 C ATOM 58 O ALA A 4 6.552 0.564 -4.726 1.00 0.00 O ATOM 59 CB ALA A 4 9.091 -1.024 -3.478 1.00 0.00 C ATOM 0 H ALA A 4 9.242 -2.788 -5.224 1.00 0.00 H new ATOM 0 HA ALA A 4 7.070 -1.732 -3.728 1.00 0.00 H new ATOM 0 HB1 ALA A 4 8.809 -0.231 -2.785 1.00 0.00 H new ATOM 0 HB2 ALA A 4 9.408 -1.902 -2.915 1.00 0.00 H new ATOM 0 HB3 ALA A 4 9.912 -0.680 -4.107 1.00 0.00 H new ATOM 65 N SER A 5 8.049 0.109 -6.266 1.00 0.00 N ATOM 66 CA SER A 5 7.644 1.302 -7.057 1.00 0.00 C ATOM 67 C SER A 5 6.180 1.161 -7.471 1.00 0.00 C ATOM 68 O SER A 5 5.432 2.117 -7.479 1.00 0.00 O ATOM 69 CB SER A 5 8.520 1.413 -8.305 1.00 0.00 C ATOM 70 OG SER A 5 8.227 0.332 -9.182 1.00 0.00 O ATOM 0 H SER A 5 8.802 -0.449 -6.669 1.00 0.00 H new ATOM 0 HA SER A 5 7.767 2.199 -6.450 1.00 0.00 H new ATOM 0 HB2 SER A 5 8.339 2.363 -8.807 1.00 0.00 H new ATOM 0 HB3 SER A 5 9.574 1.395 -8.027 1.00 0.00 H new ATOM 0 HG SER A 5 8.786 0.401 -9.984 1.00 0.00 H new ATOM 76 N VAL A 6 5.758 -0.030 -7.797 1.00 0.00 N ATOM 77 CA VAL A 6 4.337 -0.230 -8.189 1.00 0.00 C ATOM 78 C VAL A 6 3.454 -0.018 -6.964 1.00 0.00 C ATOM 79 O VAL A 6 2.383 0.544 -7.047 1.00 0.00 O ATOM 80 CB VAL A 6 4.137 -1.646 -8.722 1.00 0.00 C ATOM 81 CG1 VAL A 6 2.645 -1.900 -8.953 1.00 0.00 C ATOM 82 CG2 VAL A 6 4.891 -1.804 -10.045 1.00 0.00 C ATOM 0 H VAL A 6 6.335 -0.871 -7.808 1.00 0.00 H new ATOM 0 HA VAL A 6 4.070 0.482 -8.970 1.00 0.00 H new ATOM 0 HB VAL A 6 4.519 -2.364 -7.996 1.00 0.00 H new ATOM 0 HG11 VAL A 6 2.503 -2.911 -9.334 1.00 0.00 H new ATOM 0 HG12 VAL A 6 2.107 -1.787 -8.012 1.00 0.00 H new ATOM 0 HG13 VAL A 6 2.262 -1.182 -9.678 1.00 0.00 H new ATOM 0 HG21 VAL A 6 4.749 -2.815 -10.426 1.00 0.00 H new ATOM 0 HG22 VAL A 6 4.508 -1.086 -10.770 1.00 0.00 H new ATOM 0 HG23 VAL A 6 5.954 -1.624 -9.882 1.00 0.00 H new ATOM 92 N ILE A 7 3.897 -0.468 -5.824 1.00 0.00 N ATOM 93 CA ILE A 7 3.083 -0.293 -4.593 1.00 0.00 C ATOM 94 C ILE A 7 2.863 1.200 -4.341 1.00 0.00 C ATOM 95 O ILE A 7 1.752 1.656 -4.165 1.00 0.00 O ATOM 96 CB ILE A 7 3.831 -0.902 -3.406 1.00 0.00 C ATOM 97 CG1 ILE A 7 4.048 -2.396 -3.655 1.00 0.00 C ATOM 98 CG2 ILE A 7 3.009 -0.710 -2.129 1.00 0.00 C ATOM 99 CD1 ILE A 7 4.924 -2.977 -2.543 1.00 0.00 C ATOM 0 H ILE A 7 4.787 -0.949 -5.693 1.00 0.00 H new ATOM 0 HA ILE A 7 2.120 -0.789 -4.714 1.00 0.00 H new ATOM 0 HB ILE A 7 4.796 -0.408 -3.292 1.00 0.00 H new ATOM 0 HG12 ILE A 7 3.089 -2.914 -3.685 1.00 0.00 H new ATOM 0 HG13 ILE A 7 4.523 -2.549 -4.624 1.00 0.00 H new ATOM 0 HG21 ILE A 7 3.543 -1.144 -1.284 1.00 0.00 H new ATOM 0 HG22 ILE A 7 2.855 0.354 -1.952 1.00 0.00 H new ATOM 0 HG23 ILE A 7 2.043 -1.203 -2.240 1.00 0.00 H new ATOM 0 HD11 ILE A 7 5.079 -4.041 -2.720 1.00 0.00 H new ATOM 0 HD12 ILE A 7 5.887 -2.467 -2.535 1.00 0.00 H new ATOM 0 HD13 ILE A 7 4.431 -2.837 -1.581 1.00 0.00 H new ATOM 111 N ALA A 8 3.921 1.965 -4.333 1.00 0.00 N ATOM 112 CA ALA A 8 3.784 3.431 -4.106 1.00 0.00 C ATOM 113 C ALA A 8 3.015 4.060 -5.268 1.00 0.00 C ATOM 114 O ALA A 8 2.101 4.836 -5.079 1.00 0.00 O ATOM 115 CB ALA A 8 5.173 4.065 -4.013 1.00 0.00 C ATOM 0 H ALA A 8 4.876 1.636 -4.474 1.00 0.00 H new ATOM 0 HA ALA A 8 3.242 3.604 -3.176 1.00 0.00 H new ATOM 0 HB1 ALA A 8 5.073 5.138 -3.847 1.00 0.00 H new ATOM 0 HB2 ALA A 8 5.722 3.619 -3.184 1.00 0.00 H new ATOM 0 HB3 ALA A 8 5.715 3.891 -4.942 1.00 0.00 H new ATOM 121 N GLN A 9 3.388 3.725 -6.471 1.00 0.00 N ATOM 122 CA GLN A 9 2.694 4.293 -7.660 1.00 0.00 C ATOM 123 C GLN A 9 1.237 3.834 -7.666 1.00 0.00 C ATOM 124 O GLN A 9 0.331 4.604 -7.908 1.00 0.00 O ATOM 125 CB GLN A 9 3.386 3.790 -8.930 1.00 0.00 C ATOM 126 CG GLN A 9 2.747 4.435 -10.161 1.00 0.00 C ATOM 127 CD GLN A 9 2.475 3.359 -11.211 1.00 0.00 C ATOM 128 OE1 GLN A 9 3.068 3.364 -12.273 1.00 0.00 O ATOM 129 NE2 GLN A 9 1.599 2.425 -10.956 1.00 0.00 N ATOM 0 H GLN A 9 4.148 3.079 -6.683 1.00 0.00 H new ATOM 0 HA GLN A 9 2.733 5.382 -7.622 1.00 0.00 H new ATOM 0 HB2 GLN A 9 4.449 4.028 -8.894 1.00 0.00 H new ATOM 0 HB3 GLN A 9 3.305 2.705 -8.994 1.00 0.00 H new ATOM 0 HG2 GLN A 9 1.817 4.932 -9.884 1.00 0.00 H new ATOM 0 HG3 GLN A 9 3.408 5.199 -10.570 1.00 0.00 H new ATOM 0 HE21 GLN A 9 1.102 2.421 -10.065 1.00 0.00 H new ATOM 0 HE22 GLN A 9 1.412 1.699 -11.648 1.00 0.00 H new ATOM 138 N PHE A 10 1.012 2.583 -7.398 1.00 0.00 N ATOM 139 CA PHE A 10 -0.379 2.055 -7.384 1.00 0.00 C ATOM 140 C PHE A 10 -1.183 2.767 -6.299 1.00 0.00 C ATOM 141 O PHE A 10 -2.284 3.230 -6.525 1.00 0.00 O ATOM 142 CB PHE A 10 -0.337 0.554 -7.094 1.00 0.00 C ATOM 143 CG PHE A 10 -1.731 -0.014 -7.152 1.00 0.00 C ATOM 144 CD1 PHE A 10 -2.479 -0.148 -5.978 1.00 0.00 C ATOM 145 CD2 PHE A 10 -2.275 -0.409 -8.379 1.00 0.00 C ATOM 146 CE1 PHE A 10 -3.772 -0.678 -6.029 1.00 0.00 C ATOM 147 CE2 PHE A 10 -3.569 -0.939 -8.431 1.00 0.00 C ATOM 148 CZ PHE A 10 -4.317 -1.073 -7.256 1.00 0.00 C ATOM 0 H PHE A 10 1.736 1.897 -7.186 1.00 0.00 H new ATOM 0 HA PHE A 10 -0.852 2.229 -8.351 1.00 0.00 H new ATOM 0 HB2 PHE A 10 0.301 0.051 -7.821 1.00 0.00 H new ATOM 0 HB3 PHE A 10 0.098 0.376 -6.111 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -2.058 0.158 -5.032 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -1.697 -0.305 -9.285 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -4.350 -0.782 -5.122 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -3.990 -1.244 -9.377 1.00 0.00 H new ATOM 0 HZ PHE A 10 -5.316 -1.482 -7.296 1.00 0.00 H new ATOM 158 N VAL A 11 -0.638 2.856 -5.122 1.00 0.00 N ATOM 159 CA VAL A 11 -1.360 3.536 -4.011 1.00 0.00 C ATOM 160 C VAL A 11 -1.427 5.041 -4.284 1.00 0.00 C ATOM 161 O VAL A 11 -2.450 5.671 -4.107 1.00 0.00 O ATOM 162 CB VAL A 11 -0.610 3.292 -2.701 1.00 0.00 C ATOM 163 CG1 VAL A 11 -1.310 4.036 -1.563 1.00 0.00 C ATOM 164 CG2 VAL A 11 -0.591 1.792 -2.400 1.00 0.00 C ATOM 0 H VAL A 11 0.281 2.486 -4.878 1.00 0.00 H new ATOM 0 HA VAL A 11 -2.372 3.138 -3.938 1.00 0.00 H new ATOM 0 HB VAL A 11 0.413 3.657 -2.793 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -0.774 3.861 -0.630 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -1.322 5.104 -1.780 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -2.334 3.674 -1.467 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -0.057 1.615 -1.466 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.614 1.426 -2.308 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -0.089 1.264 -3.211 1.00 0.00 H new ATOM 174 N VAL A 12 -0.337 5.619 -4.704 1.00 0.00 N ATOM 175 CA VAL A 12 -0.320 7.084 -4.980 1.00 0.00 C ATOM 176 C VAL A 12 -1.216 7.406 -6.178 1.00 0.00 C ATOM 177 O VAL A 12 -1.910 8.403 -6.193 1.00 0.00 O ATOM 178 CB VAL A 12 1.112 7.521 -5.278 1.00 0.00 C ATOM 179 CG1 VAL A 12 1.126 8.994 -5.688 1.00 0.00 C ATOM 180 CG2 VAL A 12 1.973 7.332 -4.028 1.00 0.00 C ATOM 0 H VAL A 12 0.547 5.138 -4.869 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.695 7.619 -4.107 1.00 0.00 H new ATOM 0 HB VAL A 12 1.512 6.916 -6.092 1.00 0.00 H new ATOM 0 HG11 VAL A 12 2.150 9.303 -5.900 1.00 0.00 H new ATOM 0 HG12 VAL A 12 0.514 9.129 -6.580 1.00 0.00 H new ATOM 0 HG13 VAL A 12 0.724 9.601 -4.877 1.00 0.00 H new ATOM 0 HG21 VAL A 12 2.996 7.644 -4.240 1.00 0.00 H new ATOM 0 HG22 VAL A 12 1.571 7.936 -3.214 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.967 6.281 -3.737 1.00 0.00 H new ATOM 190 N GLU A 13 -1.202 6.578 -7.185 1.00 0.00 N ATOM 191 CA GLU A 13 -2.047 6.847 -8.386 1.00 0.00 C ATOM 192 C GLU A 13 -3.502 7.058 -7.964 1.00 0.00 C ATOM 193 O GLU A 13 -4.248 7.764 -8.615 1.00 0.00 O ATOM 194 CB GLU A 13 -1.964 5.665 -9.350 1.00 0.00 C ATOM 195 CG GLU A 13 -2.743 5.988 -10.623 1.00 0.00 C ATOM 196 CD GLU A 13 -2.746 4.768 -11.546 1.00 0.00 C ATOM 197 OE1 GLU A 13 -3.306 4.868 -12.625 1.00 0.00 O ATOM 198 OE2 GLU A 13 -2.189 3.755 -11.157 1.00 0.00 O ATOM 0 H GLU A 13 -0.643 5.726 -7.230 1.00 0.00 H new ATOM 0 HA GLU A 13 -1.682 7.747 -8.881 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -0.923 5.453 -9.593 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -2.371 4.770 -8.880 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -3.766 6.271 -10.374 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -2.292 6.840 -11.131 1.00 0.00 H new ATOM 205 N GLU A 14 -3.915 6.452 -6.887 1.00 0.00 N ATOM 206 CA GLU A 14 -5.325 6.620 -6.438 1.00 0.00 C ATOM 207 C GLU A 14 -5.564 8.078 -6.036 1.00 0.00 C ATOM 208 O GLU A 14 -6.657 8.593 -6.162 1.00 0.00 O ATOM 209 CB GLU A 14 -5.591 5.707 -5.240 1.00 0.00 C ATOM 210 CG GLU A 14 -5.480 4.245 -5.677 1.00 0.00 C ATOM 211 CD GLU A 14 -5.812 3.332 -4.496 1.00 0.00 C ATOM 212 OE1 GLU A 14 -5.933 2.137 -4.712 1.00 0.00 O ATOM 213 OE2 GLU A 14 -5.940 3.842 -3.395 1.00 0.00 O ATOM 0 H GLU A 14 -3.339 5.849 -6.299 1.00 0.00 H new ATOM 0 HA GLU A 14 -6.000 6.355 -7.252 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -4.875 5.915 -4.445 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -6.584 5.902 -4.834 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -6.162 4.049 -6.504 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -4.473 4.038 -6.038 1.00 0.00 H new ATOM 220 N PHE A 15 -4.553 8.747 -5.554 1.00 0.00 N ATOM 221 CA PHE A 15 -4.732 10.171 -5.148 1.00 0.00 C ATOM 222 C PHE A 15 -3.440 10.949 -5.413 1.00 0.00 C ATOM 223 O PHE A 15 -2.993 11.724 -4.593 1.00 0.00 O ATOM 224 CB PHE A 15 -5.076 10.235 -3.658 1.00 0.00 C ATOM 225 CG PHE A 15 -3.888 9.783 -2.840 1.00 0.00 C ATOM 226 CD1 PHE A 15 -3.617 8.417 -2.698 1.00 0.00 C ATOM 227 CD2 PHE A 15 -3.060 10.728 -2.221 1.00 0.00 C ATOM 228 CE1 PHE A 15 -2.519 7.996 -1.939 1.00 0.00 C ATOM 229 CE2 PHE A 15 -1.962 10.307 -1.463 1.00 0.00 C ATOM 230 CZ PHE A 15 -1.691 8.941 -1.322 1.00 0.00 C ATOM 0 H PHE A 15 -3.614 8.372 -5.424 1.00 0.00 H new ATOM 0 HA PHE A 15 -5.542 10.615 -5.727 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -5.353 11.253 -3.382 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -5.937 9.602 -3.446 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -4.255 7.688 -3.174 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -3.269 11.782 -2.329 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -2.311 6.942 -1.829 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -1.323 11.036 -0.987 1.00 0.00 H new ATOM 0 HZ PHE A 15 -0.843 8.616 -0.737 1.00 0.00 H new ATOM 240 N LEU A 16 -2.833 10.749 -6.554 1.00 0.00 N ATOM 241 CA LEU A 16 -1.573 11.480 -6.859 1.00 0.00 C ATOM 242 C LEU A 16 -1.895 12.900 -7.345 1.00 0.00 C ATOM 243 O LEU A 16 -2.706 13.083 -8.230 1.00 0.00 O ATOM 244 CB LEU A 16 -0.771 10.710 -7.930 1.00 0.00 C ATOM 245 CG LEU A 16 -1.039 11.237 -9.352 1.00 0.00 C ATOM 246 CD1 LEU A 16 -0.182 10.445 -10.342 1.00 0.00 C ATOM 247 CD2 LEU A 16 -2.514 11.053 -9.725 1.00 0.00 C ATOM 0 H LEU A 16 -3.156 10.113 -7.283 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.970 11.553 -5.954 1.00 0.00 H new ATOM 0 HB2 LEU A 16 0.294 10.789 -7.710 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.028 9.652 -7.883 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.792 12.298 -9.388 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.363 10.810 -11.353 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.872 10.572 -10.094 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.443 9.388 -10.285 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.684 11.431 -10.733 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.770 9.994 -9.687 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.139 11.603 -9.021 1.00 0.00 H new ATOM 259 N PRO A 17 -1.255 13.905 -6.793 1.00 0.00 N ATOM 260 CA PRO A 17 -1.482 15.312 -7.218 1.00 0.00 C ATOM 261 C PRO A 17 -0.772 15.596 -8.546 1.00 0.00 C ATOM 262 O PRO A 17 -0.557 14.705 -9.343 1.00 0.00 O ATOM 263 CB PRO A 17 -0.870 16.132 -6.079 1.00 0.00 C ATOM 264 CG PRO A 17 0.204 15.267 -5.515 1.00 0.00 C ATOM 265 CD PRO A 17 -0.253 13.823 -5.713 1.00 0.00 C ATOM 0 HA PRO A 17 -2.533 15.545 -7.387 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -0.465 17.076 -6.445 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -1.617 16.377 -5.324 1.00 0.00 H new ATOM 0 HG2 PRO A 17 1.152 15.447 -6.021 1.00 0.00 H new ATOM 0 HG3 PRO A 17 0.361 15.483 -4.458 1.00 0.00 H new ATOM 0 HD2 PRO A 17 0.579 13.176 -5.990 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -0.684 13.413 -4.800 1.00 0.00 H new ATOM 273 N ASP A 18 -0.398 16.818 -8.792 1.00 0.00 N ATOM 274 CA ASP A 18 0.304 17.135 -10.061 1.00 0.00 C ATOM 275 C ASP A 18 1.768 16.706 -9.941 1.00 0.00 C ATOM 276 O ASP A 18 2.614 17.130 -10.703 1.00 0.00 O ATOM 277 CB ASP A 18 0.228 18.638 -10.314 1.00 0.00 C ATOM 278 CG ASP A 18 -1.221 19.035 -10.601 1.00 0.00 C ATOM 279 OD1 ASP A 18 -1.499 20.224 -10.605 1.00 0.00 O ATOM 280 OD2 ASP A 18 -2.029 18.146 -10.813 1.00 0.00 O ATOM 0 H ASP A 18 -0.549 17.611 -8.168 1.00 0.00 H new ATOM 0 HA ASP A 18 -0.165 16.605 -10.890 1.00 0.00 H new ATOM 0 HB2 ASP A 18 0.600 19.183 -9.446 1.00 0.00 H new ATOM 0 HB3 ASP A 18 0.864 18.908 -11.157 1.00 0.00 H new ATOM 285 N VAL A 19 2.071 15.871 -8.978 1.00 0.00 N ATOM 286 CA VAL A 19 3.478 15.414 -8.791 1.00 0.00 C ATOM 287 C VAL A 19 3.581 13.917 -9.097 1.00 0.00 C ATOM 288 O VAL A 19 2.741 13.134 -8.700 1.00 0.00 O ATOM 289 CB VAL A 19 3.899 15.666 -7.343 1.00 0.00 C ATOM 290 CG1 VAL A 19 5.373 15.300 -7.165 1.00 0.00 C ATOM 291 CG2 VAL A 19 3.698 17.145 -7.004 1.00 0.00 C ATOM 0 H VAL A 19 1.401 15.486 -8.312 1.00 0.00 H new ATOM 0 HA VAL A 19 4.132 15.965 -9.467 1.00 0.00 H new ATOM 0 HB VAL A 19 3.291 15.053 -6.678 1.00 0.00 H new ATOM 0 HG11 VAL A 19 5.671 15.481 -6.132 1.00 0.00 H new ATOM 0 HG12 VAL A 19 5.518 14.247 -7.406 1.00 0.00 H new ATOM 0 HG13 VAL A 19 5.983 15.911 -7.830 1.00 0.00 H new ATOM 0 HG21 VAL A 19 3.998 17.326 -5.972 1.00 0.00 H new ATOM 0 HG22 VAL A 19 4.305 17.757 -7.671 1.00 0.00 H new ATOM 0 HG23 VAL A 19 2.647 17.407 -7.128 1.00 0.00 H new ATOM 301 N ALA A 20 4.605 13.514 -9.801 1.00 0.00 N ATOM 302 CA ALA A 20 4.759 12.068 -10.130 1.00 0.00 C ATOM 303 C ALA A 20 5.049 11.278 -8.842 1.00 0.00 C ATOM 304 O ALA A 20 5.776 11.744 -7.986 1.00 0.00 O ATOM 305 CB ALA A 20 5.927 11.895 -11.103 1.00 0.00 C ATOM 0 H ALA A 20 5.340 14.123 -10.162 1.00 0.00 H new ATOM 0 HA ALA A 20 3.841 11.697 -10.586 1.00 0.00 H new ATOM 0 HB1 ALA A 20 6.044 10.839 -11.347 1.00 0.00 H new ATOM 0 HB2 ALA A 20 5.728 12.458 -12.015 1.00 0.00 H new ATOM 0 HB3 ALA A 20 6.843 12.264 -10.641 1.00 0.00 H new ATOM 311 N PRO A 21 4.501 10.090 -8.695 1.00 0.00 N ATOM 312 CA PRO A 21 4.741 9.255 -7.481 1.00 0.00 C ATOM 313 C PRO A 21 6.231 9.136 -7.151 1.00 0.00 C ATOM 314 O PRO A 21 6.618 9.029 -6.005 1.00 0.00 O ATOM 315 CB PRO A 21 4.184 7.878 -7.850 1.00 0.00 C ATOM 316 CG PRO A 21 3.241 8.092 -8.988 1.00 0.00 C ATOM 317 CD PRO A 21 3.601 9.422 -9.652 1.00 0.00 C ATOM 0 HA PRO A 21 4.270 9.694 -6.601 1.00 0.00 H new ATOM 0 HB2 PRO A 21 4.987 7.198 -8.135 1.00 0.00 H new ATOM 0 HB3 PRO A 21 3.671 7.427 -7.001 1.00 0.00 H new ATOM 0 HG2 PRO A 21 3.317 7.275 -9.705 1.00 0.00 H new ATOM 0 HG3 PRO A 21 2.211 8.110 -8.632 1.00 0.00 H new ATOM 0 HD2 PRO A 21 4.092 9.264 -10.612 1.00 0.00 H new ATOM 0 HD3 PRO A 21 2.711 10.022 -9.843 1.00 0.00 H new ATOM 325 N ALA A 22 7.068 9.152 -8.151 1.00 0.00 N ATOM 326 CA ALA A 22 8.534 9.039 -7.906 1.00 0.00 C ATOM 327 C ALA A 22 9.026 10.270 -7.144 1.00 0.00 C ATOM 328 O ALA A 22 10.036 10.234 -6.469 1.00 0.00 O ATOM 329 CB ALA A 22 9.263 8.947 -9.248 1.00 0.00 C ATOM 0 H ALA A 22 6.799 9.239 -9.131 1.00 0.00 H new ATOM 0 HA ALA A 22 8.736 8.146 -7.315 1.00 0.00 H new ATOM 0 HB1 ALA A 22 10.336 8.864 -9.074 1.00 0.00 H new ATOM 0 HB2 ALA A 22 8.915 8.069 -9.792 1.00 0.00 H new ATOM 0 HB3 ALA A 22 9.059 9.842 -9.835 1.00 0.00 H new ATOM 335 N ASP A 23 8.319 11.360 -7.249 1.00 0.00 N ATOM 336 CA ASP A 23 8.740 12.598 -6.537 1.00 0.00 C ATOM 337 C ASP A 23 7.930 12.741 -5.250 1.00 0.00 C ATOM 338 O ASP A 23 7.990 13.750 -4.575 1.00 0.00 O ATOM 339 CB ASP A 23 8.498 13.812 -7.436 1.00 0.00 C ATOM 340 CG ASP A 23 9.442 13.755 -8.637 1.00 0.00 C ATOM 341 OD1 ASP A 23 10.355 12.945 -8.611 1.00 0.00 O ATOM 342 OD2 ASP A 23 9.238 14.522 -9.563 1.00 0.00 O ATOM 0 H ASP A 23 7.465 11.447 -7.799 1.00 0.00 H new ATOM 0 HA ASP A 23 9.801 12.537 -6.293 1.00 0.00 H new ATOM 0 HB2 ASP A 23 7.462 13.826 -7.775 1.00 0.00 H new ATOM 0 HB3 ASP A 23 8.662 14.732 -6.875 1.00 0.00 H new ATOM 347 N VAL A 24 7.176 11.737 -4.902 1.00 0.00 N ATOM 348 CA VAL A 24 6.366 11.813 -3.657 1.00 0.00 C ATOM 349 C VAL A 24 7.207 11.299 -2.490 1.00 0.00 C ATOM 350 O VAL A 24 7.978 10.369 -2.632 1.00 0.00 O ATOM 351 CB VAL A 24 5.107 10.954 -3.807 1.00 0.00 C ATOM 352 CG1 VAL A 24 5.394 9.527 -3.335 1.00 0.00 C ATOM 353 CG2 VAL A 24 3.982 11.552 -2.961 1.00 0.00 C ATOM 0 H VAL A 24 7.086 10.867 -5.427 1.00 0.00 H new ATOM 0 HA VAL A 24 6.069 12.845 -3.471 1.00 0.00 H new ATOM 0 HB VAL A 24 4.808 10.933 -4.855 1.00 0.00 H new ATOM 0 HG11 VAL A 24 4.495 8.920 -3.444 1.00 0.00 H new ATOM 0 HG12 VAL A 24 6.196 9.099 -3.937 1.00 0.00 H new ATOM 0 HG13 VAL A 24 5.696 9.544 -2.288 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.084 10.942 -3.066 1.00 0.00 H new ATOM 0 HG22 VAL A 24 4.286 11.573 -1.914 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.773 12.567 -3.299 1.00 0.00 H new ATOM 363 N ASP A 25 7.080 11.899 -1.343 1.00 0.00 N ATOM 364 CA ASP A 25 7.889 11.442 -0.183 1.00 0.00 C ATOM 365 C ASP A 25 7.390 10.073 0.279 1.00 0.00 C ATOM 366 O ASP A 25 6.587 9.967 1.185 1.00 0.00 O ATOM 367 CB ASP A 25 7.749 12.449 0.962 1.00 0.00 C ATOM 368 CG ASP A 25 8.750 12.106 2.067 1.00 0.00 C ATOM 369 OD1 ASP A 25 8.632 12.673 3.141 1.00 0.00 O ATOM 370 OD2 ASP A 25 9.617 11.287 1.819 1.00 0.00 O ATOM 0 H ASP A 25 6.454 12.683 -1.158 1.00 0.00 H new ATOM 0 HA ASP A 25 8.936 11.366 -0.476 1.00 0.00 H new ATOM 0 HB2 ASP A 25 7.928 13.460 0.596 1.00 0.00 H new ATOM 0 HB3 ASP A 25 6.733 12.428 1.357 1.00 0.00 H new ATOM 375 N VAL A 26 7.863 9.021 -0.334 1.00 0.00 N ATOM 376 CA VAL A 26 7.416 7.659 0.079 1.00 0.00 C ATOM 377 C VAL A 26 7.878 7.390 1.514 1.00 0.00 C ATOM 378 O VAL A 26 7.618 6.345 2.075 1.00 0.00 O ATOM 379 CB VAL A 26 8.023 6.615 -0.859 1.00 0.00 C ATOM 380 CG1 VAL A 26 7.662 6.957 -2.306 1.00 0.00 C ATOM 381 CG2 VAL A 26 9.546 6.614 -0.702 1.00 0.00 C ATOM 0 H VAL A 26 8.537 9.045 -1.100 1.00 0.00 H new ATOM 0 HA VAL A 26 6.329 7.600 0.028 1.00 0.00 H new ATOM 0 HB VAL A 26 7.629 5.630 -0.609 1.00 0.00 H new ATOM 0 HG11 VAL A 26 8.095 6.213 -2.975 1.00 0.00 H new ATOM 0 HG12 VAL A 26 6.578 6.960 -2.420 1.00 0.00 H new ATOM 0 HG13 VAL A 26 8.056 7.942 -2.556 1.00 0.00 H new ATOM 0 HG21 VAL A 26 9.980 5.870 -1.370 1.00 0.00 H new ATOM 0 HG22 VAL A 26 9.938 7.600 -0.952 1.00 0.00 H new ATOM 0 HG23 VAL A 26 9.805 6.371 0.329 1.00 0.00 H new ATOM 391 N ASP A 27 8.553 8.332 2.113 1.00 0.00 N ATOM 392 CA ASP A 27 9.023 8.141 3.514 1.00 0.00 C ATOM 393 C ASP A 27 8.047 8.836 4.465 1.00 0.00 C ATOM 394 O ASP A 27 8.313 8.998 5.639 1.00 0.00 O ATOM 395 CB ASP A 27 10.418 8.748 3.678 1.00 0.00 C ATOM 396 CG ASP A 27 11.420 7.962 2.830 1.00 0.00 C ATOM 397 OD1 ASP A 27 11.069 6.884 2.381 1.00 0.00 O ATOM 398 OD2 ASP A 27 12.521 8.453 2.643 1.00 0.00 O ATOM 0 H ASP A 27 8.800 9.228 1.692 1.00 0.00 H new ATOM 0 HA ASP A 27 9.068 7.076 3.744 1.00 0.00 H new ATOM 0 HB2 ASP A 27 10.409 9.794 3.373 1.00 0.00 H new ATOM 0 HB3 ASP A 27 10.715 8.724 4.726 1.00 0.00 H new ATOM 403 N LEU A 28 6.917 9.249 3.959 1.00 0.00 N ATOM 404 CA LEU A 28 5.916 9.939 4.820 1.00 0.00 C ATOM 405 C LEU A 28 5.000 8.906 5.466 1.00 0.00 C ATOM 406 O LEU A 28 4.548 7.976 4.828 1.00 0.00 O ATOM 407 CB LEU A 28 5.080 10.892 3.965 1.00 0.00 C ATOM 408 CG LEU A 28 4.127 11.691 4.859 1.00 0.00 C ATOM 409 CD1 LEU A 28 4.925 12.667 5.729 1.00 0.00 C ATOM 410 CD2 LEU A 28 3.149 12.476 3.983 1.00 0.00 C ATOM 0 H LEU A 28 6.644 9.138 2.983 1.00 0.00 H new ATOM 0 HA LEU A 28 6.434 10.502 5.596 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.733 11.571 3.416 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.512 10.328 3.225 1.00 0.00 H new ATOM 0 HG LEU A 28 3.576 11.004 5.502 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.241 13.232 6.362 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.623 12.110 6.354 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.480 13.354 5.090 1.00 0.00 H new ATOM 0 HD21 LEU A 28 2.469 13.046 4.617 1.00 0.00 H new ATOM 0 HD22 LEU A 28 3.704 13.159 3.340 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.576 11.783 3.367 1.00 0.00 H new ATOM 422 N ASP A 29 4.718 9.062 6.728 1.00 0.00 N ATOM 423 CA ASP A 29 3.828 8.089 7.403 1.00 0.00 C ATOM 424 C ASP A 29 2.460 8.132 6.728 1.00 0.00 C ATOM 425 O ASP A 29 1.824 9.165 6.656 1.00 0.00 O ATOM 426 CB ASP A 29 3.687 8.454 8.882 1.00 0.00 C ATOM 427 CG ASP A 29 5.034 8.274 9.583 1.00 0.00 C ATOM 428 OD1 ASP A 29 5.909 7.662 8.993 1.00 0.00 O ATOM 429 OD2 ASP A 29 5.167 8.750 10.698 1.00 0.00 O ATOM 0 H ASP A 29 5.065 9.819 7.317 1.00 0.00 H new ATOM 0 HA ASP A 29 4.249 7.086 7.328 1.00 0.00 H new ATOM 0 HB2 ASP A 29 3.348 9.485 8.982 1.00 0.00 H new ATOM 0 HB3 ASP A 29 2.933 7.823 9.353 1.00 0.00 H new ATOM 434 N LEU A 30 2.009 7.022 6.224 1.00 0.00 N ATOM 435 CA LEU A 30 0.689 7.003 5.543 1.00 0.00 C ATOM 436 C LEU A 30 -0.386 7.523 6.497 1.00 0.00 C ATOM 437 O LEU A 30 -1.477 7.868 6.087 1.00 0.00 O ATOM 438 CB LEU A 30 0.348 5.573 5.118 1.00 0.00 C ATOM 439 CG LEU A 30 1.405 5.057 4.140 1.00 0.00 C ATOM 440 CD1 LEU A 30 1.043 3.636 3.710 1.00 0.00 C ATOM 441 CD2 LEU A 30 1.444 5.964 2.908 1.00 0.00 C ATOM 0 H LEU A 30 2.497 6.127 6.254 1.00 0.00 H new ATOM 0 HA LEU A 30 0.730 7.641 4.660 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.302 4.925 5.993 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.636 5.548 4.651 1.00 0.00 H new ATOM 0 HG LEU A 30 2.382 5.057 4.624 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.794 3.264 3.013 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.009 2.988 4.586 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.067 3.640 3.224 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.197 5.598 2.210 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.468 5.961 2.423 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.695 6.980 3.212 1.00 0.00 H new ATOM 453 N VAL A 31 -0.095 7.581 7.768 1.00 0.00 N ATOM 454 CA VAL A 31 -1.115 8.076 8.734 1.00 0.00 C ATOM 455 C VAL A 31 -1.665 9.412 8.240 1.00 0.00 C ATOM 456 O VAL A 31 -2.855 9.655 8.271 1.00 0.00 O ATOM 457 CB VAL A 31 -0.476 8.269 10.109 1.00 0.00 C ATOM 458 CG1 VAL A 31 -1.446 9.021 11.023 1.00 0.00 C ATOM 459 CG2 VAL A 31 -0.152 6.907 10.724 1.00 0.00 C ATOM 0 H VAL A 31 0.799 7.309 8.177 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.923 7.348 8.813 1.00 0.00 H new ATOM 0 HB VAL A 31 0.443 8.844 10.000 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.990 9.158 12.003 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.674 9.995 10.589 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.366 8.446 11.128 1.00 0.00 H new ATOM 0 HG21 VAL A 31 0.303 7.049 11.704 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.070 6.328 10.831 1.00 0.00 H new ATOM 0 HG23 VAL A 31 0.542 6.371 10.076 1.00 0.00 H new ATOM 469 N ASP A 32 -0.809 10.275 7.772 1.00 0.00 N ATOM 470 CA ASP A 32 -1.291 11.588 7.263 1.00 0.00 C ATOM 471 C ASP A 32 -2.330 11.330 6.173 1.00 0.00 C ATOM 472 O ASP A 32 -3.325 12.018 6.066 1.00 0.00 O ATOM 473 CB ASP A 32 -0.116 12.377 6.679 1.00 0.00 C ATOM 474 CG ASP A 32 0.843 12.772 7.803 1.00 0.00 C ATOM 475 OD1 ASP A 32 1.937 13.213 7.494 1.00 0.00 O ATOM 476 OD2 ASP A 32 0.467 12.627 8.954 1.00 0.00 O ATOM 0 H ASP A 32 0.199 10.129 7.720 1.00 0.00 H new ATOM 0 HA ASP A 32 -1.734 12.165 8.074 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.407 11.775 5.936 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -0.481 13.268 6.168 1.00 0.00 H new ATOM 481 N ASN A 33 -2.104 10.325 5.374 1.00 0.00 N ATOM 482 CA ASN A 33 -3.071 9.989 4.295 1.00 0.00 C ATOM 483 C ASN A 33 -4.080 8.977 4.832 1.00 0.00 C ATOM 484 O ASN A 33 -4.696 8.245 4.084 1.00 0.00 O ATOM 485 CB ASN A 33 -2.330 9.385 3.107 1.00 0.00 C ATOM 486 CG ASN A 33 -1.395 10.432 2.507 1.00 0.00 C ATOM 487 OD1 ASN A 33 -1.515 11.608 2.790 1.00 0.00 O ATOM 488 ND2 ASN A 33 -0.464 10.049 1.682 1.00 0.00 N ATOM 0 H ASN A 33 -1.285 9.719 5.423 1.00 0.00 H new ATOM 0 HA ASN A 33 -3.587 10.893 3.971 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -1.760 8.512 3.425 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -3.042 9.044 2.355 1.00 0.00 H new ATOM 0 HD21 ASN A 33 0.168 10.736 1.271 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -0.366 9.061 1.447 1.00 0.00 H new ATOM 495 N GLY A 34 -4.239 8.926 6.126 1.00 0.00 N ATOM 496 CA GLY A 34 -5.199 7.959 6.726 1.00 0.00 C ATOM 497 C GLY A 34 -6.487 7.943 5.904 1.00 0.00 C ATOM 498 O GLY A 34 -7.293 7.045 6.019 1.00 0.00 O ATOM 0 H GLY A 34 -3.743 9.515 6.795 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -4.759 6.962 6.752 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.416 8.238 7.757 1.00 0.00 H new ATOM 502 N VAL A 35 -6.687 8.921 5.068 1.00 0.00 N ATOM 503 CA VAL A 35 -7.926 8.937 4.243 1.00 0.00 C ATOM 504 C VAL A 35 -8.039 7.608 3.493 1.00 0.00 C ATOM 505 O VAL A 35 -9.117 7.097 3.265 1.00 0.00 O ATOM 506 CB VAL A 35 -7.859 10.086 3.240 1.00 0.00 C ATOM 507 CG1 VAL A 35 -6.938 9.692 2.093 1.00 0.00 C ATOM 508 CG2 VAL A 35 -9.260 10.372 2.695 1.00 0.00 C ATOM 0 H VAL A 35 -6.052 9.705 4.920 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.796 9.074 4.886 1.00 0.00 H new ATOM 0 HB VAL A 35 -7.474 10.980 3.731 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -6.885 10.508 1.372 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -5.941 9.486 2.482 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -7.328 8.800 1.603 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -9.211 11.192 1.979 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -9.647 9.481 2.200 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -9.921 10.647 3.517 1.00 0.00 H new ATOM 518 N ILE A 36 -6.924 7.047 3.112 1.00 0.00 N ATOM 519 CA ILE A 36 -6.940 5.748 2.379 1.00 0.00 C ATOM 520 C ILE A 36 -7.347 4.621 3.335 1.00 0.00 C ATOM 521 O ILE A 36 -7.729 3.548 2.917 1.00 0.00 O ATOM 522 CB ILE A 36 -5.536 5.461 1.844 1.00 0.00 C ATOM 523 CG1 ILE A 36 -5.622 4.544 0.622 1.00 0.00 C ATOM 524 CG2 ILE A 36 -4.711 4.771 2.932 1.00 0.00 C ATOM 525 CD1 ILE A 36 -4.220 4.051 0.256 1.00 0.00 C ATOM 0 H ILE A 36 -5.996 7.435 3.278 1.00 0.00 H new ATOM 0 HA ILE A 36 -7.653 5.804 1.556 1.00 0.00 H new ATOM 0 HB ILE A 36 -5.063 6.400 1.558 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -6.273 3.696 0.835 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -6.062 5.081 -0.219 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.710 4.565 2.554 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.643 5.421 3.804 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -5.192 3.834 3.214 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -4.280 3.398 -0.614 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.583 4.905 0.026 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.798 3.499 1.096 1.00 0.00 H new ATOM 537 N ASP A 37 -7.234 4.852 4.615 1.00 0.00 N ATOM 538 CA ASP A 37 -7.575 3.792 5.611 1.00 0.00 C ATOM 539 C ASP A 37 -9.023 3.319 5.452 1.00 0.00 C ATOM 540 O ASP A 37 -9.333 2.179 5.742 1.00 0.00 O ATOM 541 CB ASP A 37 -7.385 4.335 7.029 1.00 0.00 C ATOM 542 CG ASP A 37 -5.911 4.675 7.254 1.00 0.00 C ATOM 543 OD1 ASP A 37 -5.624 5.378 8.210 1.00 0.00 O ATOM 544 OD2 ASP A 37 -5.093 4.226 6.468 1.00 0.00 O ATOM 0 H ASP A 37 -6.918 5.735 5.017 1.00 0.00 H new ATOM 0 HA ASP A 37 -6.911 2.946 5.436 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -8.000 5.223 7.175 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -7.714 3.596 7.760 1.00 0.00 H new ATOM 549 N SER A 38 -9.919 4.174 5.029 1.00 0.00 N ATOM 550 CA SER A 38 -11.346 3.744 4.899 1.00 0.00 C ATOM 551 C SER A 38 -11.813 3.798 3.443 1.00 0.00 C ATOM 552 O SER A 38 -12.145 2.788 2.854 1.00 0.00 O ATOM 553 CB SER A 38 -12.224 4.667 5.743 1.00 0.00 C ATOM 554 OG SER A 38 -11.756 4.657 7.097 1.00 0.00 O ATOM 0 H SER A 38 -9.728 5.142 4.770 1.00 0.00 H new ATOM 0 HA SER A 38 -11.428 2.714 5.246 1.00 0.00 H new ATOM 0 HB2 SER A 38 -12.195 5.681 5.344 1.00 0.00 H new ATOM 0 HB3 SER A 38 -13.262 4.338 5.702 1.00 0.00 H new ATOM 559 N LEU A 39 -11.867 4.962 2.863 1.00 0.00 N ATOM 560 CA LEU A 39 -12.344 5.061 1.454 1.00 0.00 C ATOM 561 C LEU A 39 -11.387 4.320 0.524 1.00 0.00 C ATOM 562 O LEU A 39 -11.792 3.500 -0.277 1.00 0.00 O ATOM 563 CB LEU A 39 -12.418 6.534 1.048 1.00 0.00 C ATOM 564 CG LEU A 39 -13.046 6.656 -0.342 1.00 0.00 C ATOM 565 CD1 LEU A 39 -13.979 7.868 -0.375 1.00 0.00 C ATOM 566 CD2 LEU A 39 -11.940 6.843 -1.386 1.00 0.00 C ATOM 0 H LEU A 39 -11.604 5.846 3.299 1.00 0.00 H new ATOM 0 HA LEU A 39 -13.333 4.609 1.377 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -13.009 7.092 1.775 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -11.419 6.971 1.046 1.00 0.00 H new ATOM 0 HG LEU A 39 -13.612 5.752 -0.565 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -14.427 7.956 -1.365 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -14.765 7.742 0.369 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -13.410 8.771 -0.153 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -12.386 6.930 -2.377 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -11.376 7.748 -1.161 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -11.270 5.984 -1.364 1.00 0.00 H new ATOM 578 N GLY A 40 -10.123 4.598 0.625 1.00 0.00 N ATOM 579 CA GLY A 40 -9.136 3.910 -0.248 1.00 0.00 C ATOM 580 C GLY A 40 -9.002 2.449 0.177 1.00 0.00 C ATOM 581 O GLY A 40 -8.892 1.558 -0.641 1.00 0.00 O ATOM 0 H GLY A 40 -9.727 5.275 1.277 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -9.454 3.968 -1.289 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -8.169 4.408 -0.182 1.00 0.00 H new ATOM 585 N LEU A 41 -9.000 2.202 1.456 1.00 0.00 N ATOM 586 CA LEU A 41 -8.862 0.807 1.953 1.00 0.00 C ATOM 587 C LEU A 41 -9.998 -0.051 1.399 1.00 0.00 C ATOM 588 O LEU A 41 -9.800 -1.183 1.010 1.00 0.00 O ATOM 589 CB LEU A 41 -8.929 0.822 3.479 1.00 0.00 C ATOM 590 CG LEU A 41 -8.622 -0.570 4.031 1.00 0.00 C ATOM 591 CD1 LEU A 41 -7.112 -0.823 3.989 1.00 0.00 C ATOM 592 CD2 LEU A 41 -9.114 -0.656 5.479 1.00 0.00 C ATOM 0 H LEU A 41 -9.089 2.912 2.183 1.00 0.00 H new ATOM 0 HA LEU A 41 -7.910 0.389 1.626 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.215 1.545 3.875 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -9.919 1.141 3.804 1.00 0.00 H new ATOM 0 HG LEU A 41 -9.128 -1.321 3.424 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -6.898 -1.816 4.384 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.761 -0.758 2.959 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.601 -0.075 4.594 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -8.898 -1.647 5.878 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -8.606 0.097 6.081 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -10.189 -0.479 5.509 1.00 0.00 H new ATOM 604 N LEU A 42 -11.189 0.475 1.358 1.00 0.00 N ATOM 605 CA LEU A 42 -12.329 -0.323 0.828 1.00 0.00 C ATOM 606 C LEU A 42 -12.072 -0.654 -0.645 1.00 0.00 C ATOM 607 O LEU A 42 -12.273 -1.767 -1.086 1.00 0.00 O ATOM 608 CB LEU A 42 -13.621 0.489 0.955 1.00 0.00 C ATOM 609 CG LEU A 42 -14.821 -0.373 0.560 1.00 0.00 C ATOM 610 CD1 LEU A 42 -15.278 -1.185 1.768 1.00 0.00 C ATOM 611 CD2 LEU A 42 -15.965 0.531 0.093 1.00 0.00 C ATOM 0 H LEU A 42 -11.422 1.419 1.667 1.00 0.00 H new ATOM 0 HA LEU A 42 -12.427 -1.248 1.397 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -13.739 0.843 1.979 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -13.570 1.371 0.317 1.00 0.00 H new ATOM 0 HG LEU A 42 -14.537 -1.047 -0.248 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -16.133 -1.801 1.490 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -14.463 -1.826 2.105 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -15.564 -0.509 2.574 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -16.821 -0.082 -0.189 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -16.251 1.203 0.902 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -15.639 1.116 -0.767 1.00 0.00 H new ATOM 623 N LYS A 43 -11.626 0.307 -1.408 1.00 0.00 N ATOM 624 CA LYS A 43 -11.353 0.049 -2.848 1.00 0.00 C ATOM 625 C LYS A 43 -10.178 -0.923 -2.992 1.00 0.00 C ATOM 626 O LYS A 43 -10.182 -1.795 -3.837 1.00 0.00 O ATOM 627 CB LYS A 43 -11.012 1.367 -3.536 1.00 0.00 C ATOM 628 CG LYS A 43 -12.235 2.286 -3.516 1.00 0.00 C ATOM 629 CD LYS A 43 -11.933 3.557 -4.312 1.00 0.00 C ATOM 630 CE LYS A 43 -13.117 4.521 -4.204 1.00 0.00 C ATOM 631 NZ LYS A 43 -12.756 5.822 -4.837 1.00 0.00 N ATOM 0 H LYS A 43 -11.439 1.260 -1.095 1.00 0.00 H new ATOM 0 HA LYS A 43 -12.236 -0.392 -3.310 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -10.175 1.848 -3.030 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -10.700 1.182 -4.564 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -13.096 1.772 -3.944 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -12.494 2.541 -2.488 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -11.029 4.031 -3.931 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -11.747 3.309 -5.357 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -13.992 4.096 -4.695 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -13.381 4.674 -3.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -13.547 6.489 -4.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -11.912 6.212 -4.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -12.557 5.673 -5.847 1.00 0.00 H new ATOM 645 N VAL A 44 -9.167 -0.768 -2.181 1.00 0.00 N ATOM 646 CA VAL A 44 -7.984 -1.672 -2.277 1.00 0.00 C ATOM 647 C VAL A 44 -8.384 -3.106 -1.919 1.00 0.00 C ATOM 648 O VAL A 44 -7.963 -4.053 -2.552 1.00 0.00 O ATOM 649 CB VAL A 44 -6.902 -1.189 -1.309 1.00 0.00 C ATOM 650 CG1 VAL A 44 -5.743 -2.187 -1.301 1.00 0.00 C ATOM 651 CG2 VAL A 44 -6.392 0.182 -1.759 1.00 0.00 C ATOM 0 H VAL A 44 -9.109 -0.054 -1.455 1.00 0.00 H new ATOM 0 HA VAL A 44 -7.603 -1.656 -3.298 1.00 0.00 H new ATOM 0 HB VAL A 44 -7.320 -1.110 -0.305 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -4.972 -1.843 -0.612 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -6.106 -3.164 -0.982 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.324 -2.266 -2.304 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -5.621 0.527 -1.070 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -5.973 0.103 -2.762 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -7.218 0.893 -1.765 1.00 0.00 H new ATOM 661 N ILE A 45 -9.183 -3.274 -0.903 1.00 0.00 N ATOM 662 CA ILE A 45 -9.598 -4.645 -0.498 1.00 0.00 C ATOM 663 C ILE A 45 -10.350 -5.320 -1.646 1.00 0.00 C ATOM 664 O ILE A 45 -10.044 -6.431 -2.032 1.00 0.00 O ATOM 665 CB ILE A 45 -10.504 -4.546 0.734 1.00 0.00 C ATOM 666 CG1 ILE A 45 -9.675 -4.774 2.002 1.00 0.00 C ATOM 667 CG2 ILE A 45 -11.611 -5.600 0.658 1.00 0.00 C ATOM 668 CD1 ILE A 45 -8.406 -3.920 1.960 1.00 0.00 C ATOM 0 H ILE A 45 -9.567 -2.519 -0.335 1.00 0.00 H new ATOM 0 HA ILE A 45 -8.717 -5.241 -0.258 1.00 0.00 H new ATOM 0 HB ILE A 45 -10.954 -3.554 0.763 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -10.265 -4.520 2.882 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -9.411 -5.828 2.089 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -12.249 -5.521 1.538 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -12.208 -5.437 -0.239 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -11.165 -6.594 0.621 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -7.824 -4.089 2.866 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -7.811 -4.195 1.089 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -8.678 -2.867 1.895 1.00 0.00 H new ATOM 680 N ALA A 46 -11.330 -4.660 -2.197 1.00 0.00 N ATOM 681 CA ALA A 46 -12.096 -5.269 -3.318 1.00 0.00 C ATOM 682 C ALA A 46 -11.176 -5.438 -4.528 1.00 0.00 C ATOM 683 O ALA A 46 -11.336 -6.344 -5.321 1.00 0.00 O ATOM 684 CB ALA A 46 -13.267 -4.358 -3.690 1.00 0.00 C ATOM 0 H ALA A 46 -11.633 -3.726 -1.920 1.00 0.00 H new ATOM 0 HA ALA A 46 -12.478 -6.243 -3.012 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -13.828 -4.804 -4.511 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -13.922 -4.236 -2.827 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -12.887 -3.384 -3.997 1.00 0.00 H new ATOM 690 N TRP A 47 -10.214 -4.569 -4.674 1.00 0.00 N ATOM 691 CA TRP A 47 -9.286 -4.672 -5.831 1.00 0.00 C ATOM 692 C TRP A 47 -8.327 -5.846 -5.633 1.00 0.00 C ATOM 693 O TRP A 47 -8.103 -6.636 -6.529 1.00 0.00 O ATOM 694 CB TRP A 47 -8.480 -3.379 -5.946 1.00 0.00 C ATOM 695 CG TRP A 47 -7.342 -3.584 -6.892 1.00 0.00 C ATOM 696 CD1 TRP A 47 -7.437 -3.563 -8.241 1.00 0.00 C ATOM 697 CD2 TRP A 47 -5.943 -3.841 -6.582 1.00 0.00 C ATOM 698 NE1 TRP A 47 -6.183 -3.792 -8.779 1.00 0.00 N ATOM 699 CE2 TRP A 47 -5.229 -3.968 -7.796 1.00 0.00 C ATOM 700 CE3 TRP A 47 -5.232 -3.973 -5.376 1.00 0.00 C ATOM 701 CZ2 TRP A 47 -3.856 -4.219 -7.813 1.00 0.00 C ATOM 702 CZ3 TRP A 47 -3.851 -4.224 -5.390 1.00 0.00 C ATOM 703 CH2 TRP A 47 -3.165 -4.348 -6.605 1.00 0.00 C ATOM 0 H TRP A 47 -10.032 -3.791 -4.040 1.00 0.00 H new ATOM 0 HA TRP A 47 -9.865 -4.833 -6.740 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -9.119 -2.570 -6.299 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -8.104 -3.084 -4.966 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -8.342 -3.395 -8.805 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -5.987 -3.827 -9.779 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -5.751 -3.881 -4.434 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -3.332 -4.313 -8.752 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -3.314 -4.322 -4.458 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -2.103 -4.543 -6.608 1.00 0.00 H new ATOM 714 N LEU A 48 -7.745 -5.958 -4.472 1.00 0.00 N ATOM 715 CA LEU A 48 -6.787 -7.067 -4.228 1.00 0.00 C ATOM 716 C LEU A 48 -7.499 -8.415 -4.369 1.00 0.00 C ATOM 717 O LEU A 48 -7.000 -9.328 -4.995 1.00 0.00 O ATOM 718 CB LEU A 48 -6.226 -6.937 -2.812 1.00 0.00 C ATOM 719 CG LEU A 48 -5.067 -7.907 -2.628 1.00 0.00 C ATOM 720 CD1 LEU A 48 -3.791 -7.258 -3.153 1.00 0.00 C ATOM 721 CD2 LEU A 48 -4.904 -8.231 -1.142 1.00 0.00 C ATOM 0 H LEU A 48 -7.892 -5.329 -3.683 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.979 -7.014 -4.957 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -5.889 -5.915 -2.636 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -7.007 -7.145 -2.081 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.264 -8.828 -3.176 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.954 -7.945 -3.026 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.911 -7.024 -4.211 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.595 -6.341 -2.598 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.074 -8.925 -1.010 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -4.701 -7.314 -0.590 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -5.821 -8.685 -0.766 1.00 0.00 H new ATOM 733 N GLU A 49 -8.663 -8.545 -3.793 1.00 0.00 N ATOM 734 CA GLU A 49 -9.404 -9.833 -3.898 1.00 0.00 C ATOM 735 C GLU A 49 -9.841 -10.063 -5.346 1.00 0.00 C ATOM 736 O GLU A 49 -9.854 -11.176 -5.830 1.00 0.00 O ATOM 737 CB GLU A 49 -10.634 -9.788 -2.982 1.00 0.00 C ATOM 738 CG GLU A 49 -11.421 -11.092 -3.100 1.00 0.00 C ATOM 739 CD GLU A 49 -12.676 -11.014 -2.226 1.00 0.00 C ATOM 740 OE1 GLU A 49 -13.399 -11.994 -2.175 1.00 0.00 O ATOM 741 OE2 GLU A 49 -12.891 -9.974 -1.626 1.00 0.00 O ATOM 0 H GLU A 49 -9.132 -7.816 -3.255 1.00 0.00 H new ATOM 0 HA GLU A 49 -8.754 -10.652 -3.591 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -10.323 -9.634 -1.949 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -11.269 -8.945 -3.253 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -11.699 -11.268 -4.139 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -10.801 -11.933 -2.789 1.00 0.00 H new ATOM 748 N ASP A 50 -10.210 -9.026 -6.039 1.00 0.00 N ATOM 749 CA ASP A 50 -10.658 -9.197 -7.449 1.00 0.00 C ATOM 750 C ASP A 50 -9.526 -9.761 -8.312 1.00 0.00 C ATOM 751 O ASP A 50 -9.735 -10.639 -9.127 1.00 0.00 O ATOM 752 CB ASP A 50 -11.087 -7.841 -8.007 1.00 0.00 C ATOM 753 CG ASP A 50 -11.753 -8.035 -9.370 1.00 0.00 C ATOM 754 OD1 ASP A 50 -12.062 -7.039 -10.003 1.00 0.00 O ATOM 755 OD2 ASP A 50 -11.943 -9.176 -9.758 1.00 0.00 O ATOM 0 H ASP A 50 -10.221 -8.067 -5.692 1.00 0.00 H new ATOM 0 HA ASP A 50 -11.495 -9.895 -7.469 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -11.779 -7.355 -7.319 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -10.221 -7.186 -8.104 1.00 0.00 H new ATOM 760 N ARG A 51 -8.334 -9.253 -8.161 1.00 0.00 N ATOM 761 CA ARG A 51 -7.203 -9.746 -8.995 1.00 0.00 C ATOM 762 C ARG A 51 -6.525 -10.967 -8.359 1.00 0.00 C ATOM 763 O ARG A 51 -6.316 -11.973 -9.007 1.00 0.00 O ATOM 764 CB ARG A 51 -6.174 -8.625 -9.147 1.00 0.00 C ATOM 765 CG ARG A 51 -6.781 -7.481 -9.964 1.00 0.00 C ATOM 766 CD ARG A 51 -5.710 -6.422 -10.232 1.00 0.00 C ATOM 767 NE ARG A 51 -6.340 -5.230 -10.867 1.00 0.00 N ATOM 768 CZ ARG A 51 -5.628 -4.441 -11.626 1.00 0.00 C ATOM 769 NH1 ARG A 51 -6.181 -3.397 -12.182 1.00 0.00 N ATOM 770 NH2 ARG A 51 -4.364 -4.693 -11.828 1.00 0.00 N ATOM 0 H ARG A 51 -8.095 -8.518 -7.496 1.00 0.00 H new ATOM 0 HA ARG A 51 -7.597 -10.044 -9.966 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -5.868 -8.263 -8.166 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -5.279 -9.003 -9.641 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -7.175 -7.862 -10.906 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -7.618 -7.039 -9.424 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -5.224 -6.136 -9.299 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -4.936 -6.828 -10.883 1.00 0.00 H new ATOM 0 HE ARG A 51 -7.328 -5.030 -10.709 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -7.169 -3.198 -12.023 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -5.625 -2.781 -12.775 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -3.930 -5.507 -11.393 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -3.809 -4.076 -12.421 1.00 0.00 H new ATOM 784 N PHE A 52 -6.151 -10.881 -7.112 1.00 0.00 N ATOM 785 CA PHE A 52 -5.455 -12.026 -6.462 1.00 0.00 C ATOM 786 C PHE A 52 -6.451 -13.102 -6.021 1.00 0.00 C ATOM 787 O PHE A 52 -6.098 -14.257 -5.880 1.00 0.00 O ATOM 788 CB PHE A 52 -4.686 -11.514 -5.245 1.00 0.00 C ATOM 789 CG PHE A 52 -3.557 -10.622 -5.703 1.00 0.00 C ATOM 790 CD1 PHE A 52 -3.745 -9.238 -5.781 1.00 0.00 C ATOM 791 CD2 PHE A 52 -2.321 -11.180 -6.052 1.00 0.00 C ATOM 792 CE1 PHE A 52 -2.699 -8.410 -6.206 1.00 0.00 C ATOM 793 CE2 PHE A 52 -1.274 -10.354 -6.476 1.00 0.00 C ATOM 794 CZ PHE A 52 -1.463 -8.968 -6.554 1.00 0.00 C ATOM 0 H PHE A 52 -6.298 -10.067 -6.515 1.00 0.00 H new ATOM 0 HA PHE A 52 -4.771 -12.473 -7.183 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -5.355 -10.962 -4.584 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -4.292 -12.353 -4.671 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.699 -8.807 -5.513 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -2.176 -12.249 -5.994 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -2.845 -7.342 -6.265 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -0.320 -10.785 -6.743 1.00 0.00 H new ATOM 0 HZ PHE A 52 -0.656 -8.330 -6.882 1.00 0.00 H new ATOM 804 N GLY A 53 -7.684 -12.749 -5.790 1.00 0.00 N ATOM 805 CA GLY A 53 -8.668 -13.779 -5.349 1.00 0.00 C ATOM 806 C GLY A 53 -8.458 -14.070 -3.863 1.00 0.00 C ATOM 807 O GLY A 53 -8.755 -15.145 -3.381 1.00 0.00 O ATOM 0 H GLY A 53 -8.052 -11.802 -5.886 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -9.685 -13.426 -5.523 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -8.543 -14.692 -5.932 1.00 0.00 H new ATOM 811 N ILE A 54 -7.942 -13.119 -3.133 1.00 0.00 N ATOM 812 CA ILE A 54 -7.701 -13.334 -1.679 1.00 0.00 C ATOM 813 C ILE A 54 -8.764 -12.586 -0.873 1.00 0.00 C ATOM 814 O ILE A 54 -9.184 -11.506 -1.235 1.00 0.00 O ATOM 815 CB ILE A 54 -6.318 -12.800 -1.314 1.00 0.00 C ATOM 816 CG1 ILE A 54 -5.266 -13.496 -2.180 1.00 0.00 C ATOM 817 CG2 ILE A 54 -6.031 -13.084 0.161 1.00 0.00 C ATOM 818 CD1 ILE A 54 -3.937 -12.753 -2.061 1.00 0.00 C ATOM 0 H ILE A 54 -7.676 -12.199 -3.483 1.00 0.00 H new ATOM 0 HA ILE A 54 -7.754 -14.399 -1.451 1.00 0.00 H new ATOM 0 HB ILE A 54 -6.285 -11.724 -1.487 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -5.146 -14.532 -1.863 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -5.591 -13.517 -3.220 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -5.043 -12.702 0.420 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -6.783 -12.593 0.779 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -6.062 -14.159 0.337 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -3.187 -13.248 -2.678 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -4.064 -11.725 -2.399 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -3.611 -12.755 -1.021 1.00 0.00 H new ATOM 830 N ALA A 55 -9.206 -13.152 0.215 1.00 0.00 N ATOM 831 CA ALA A 55 -10.247 -12.476 1.036 1.00 0.00 C ATOM 832 C ALA A 55 -9.717 -11.132 1.535 1.00 0.00 C ATOM 833 O ALA A 55 -8.525 -10.915 1.626 1.00 0.00 O ATOM 834 CB ALA A 55 -10.604 -13.360 2.234 1.00 0.00 C ATOM 0 H ALA A 55 -8.891 -14.054 0.571 1.00 0.00 H new ATOM 0 HA ALA A 55 -11.136 -12.310 0.427 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -11.366 -12.866 2.836 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -10.986 -14.317 1.879 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -9.714 -13.527 2.841 1.00 0.00 H new ATOM 840 N ALA A 56 -10.600 -10.223 1.850 1.00 0.00 N ATOM 841 CA ALA A 56 -10.156 -8.885 2.333 1.00 0.00 C ATOM 842 C ALA A 56 -9.209 -9.059 3.523 1.00 0.00 C ATOM 843 O ALA A 56 -8.449 -8.171 3.856 1.00 0.00 O ATOM 844 CB ALA A 56 -11.378 -8.074 2.771 1.00 0.00 C ATOM 0 H ALA A 56 -11.610 -10.350 1.793 1.00 0.00 H new ATOM 0 HA ALA A 56 -9.637 -8.362 1.530 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -11.057 -7.094 3.125 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -12.055 -7.950 1.925 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -11.894 -8.599 3.575 1.00 0.00 H new ATOM 850 N ASP A 57 -9.254 -10.196 4.166 1.00 0.00 N ATOM 851 CA ASP A 57 -8.360 -10.439 5.337 1.00 0.00 C ATOM 852 C ASP A 57 -8.582 -9.356 6.396 1.00 0.00 C ATOM 853 O ASP A 57 -7.648 -8.799 6.934 1.00 0.00 O ATOM 854 CB ASP A 57 -6.900 -10.427 4.884 1.00 0.00 C ATOM 855 CG ASP A 57 -6.651 -11.596 3.930 1.00 0.00 C ATOM 856 OD1 ASP A 57 -7.492 -12.477 3.874 1.00 0.00 O ATOM 857 OD2 ASP A 57 -5.624 -11.590 3.273 1.00 0.00 O ATOM 0 H ASP A 57 -9.874 -10.970 3.930 1.00 0.00 H new ATOM 0 HA ASP A 57 -8.594 -11.412 5.768 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -6.670 -9.484 4.388 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -6.240 -10.502 5.748 1.00 0.00 H new ATOM 862 N ASP A 58 -9.815 -9.064 6.702 1.00 0.00 N ATOM 863 CA ASP A 58 -10.108 -8.027 7.732 1.00 0.00 C ATOM 864 C ASP A 58 -10.364 -8.714 9.075 1.00 0.00 C ATOM 865 O ASP A 58 -10.966 -8.153 9.968 1.00 0.00 O ATOM 866 CB ASP A 58 -11.346 -7.234 7.318 1.00 0.00 C ATOM 867 CG ASP A 58 -11.044 -6.439 6.048 1.00 0.00 C ATOM 868 OD1 ASP A 58 -9.878 -6.332 5.702 1.00 0.00 O ATOM 869 OD2 ASP A 58 -11.983 -5.950 5.440 1.00 0.00 O ATOM 0 H ASP A 58 -10.636 -9.500 6.282 1.00 0.00 H new ATOM 0 HA ASP A 58 -9.260 -7.348 7.823 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -12.183 -7.911 7.145 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -11.643 -6.558 8.120 1.00 0.00 H new ATOM 874 N VAL A 59 -9.924 -9.934 9.214 1.00 0.00 N ATOM 875 CA VAL A 59 -10.151 -10.678 10.486 1.00 0.00 C ATOM 876 C VAL A 59 -9.607 -9.887 11.677 1.00 0.00 C ATOM 877 O VAL A 59 -10.227 -9.824 12.720 1.00 0.00 O ATOM 878 CB VAL A 59 -9.447 -12.031 10.412 1.00 0.00 C ATOM 879 CG1 VAL A 59 -9.481 -12.702 11.786 1.00 0.00 C ATOM 880 CG2 VAL A 59 -10.161 -12.922 9.392 1.00 0.00 C ATOM 0 H VAL A 59 -9.414 -10.451 8.497 1.00 0.00 H new ATOM 0 HA VAL A 59 -11.223 -10.822 10.622 1.00 0.00 H new ATOM 0 HB VAL A 59 -8.411 -11.884 10.106 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -8.978 -13.668 11.732 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -8.973 -12.068 12.513 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -10.516 -12.849 12.094 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -9.659 -13.888 9.338 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -11.197 -13.068 9.698 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -10.136 -12.445 8.412 1.00 0.00 H new ATOM 890 N GLU A 60 -8.457 -9.286 11.545 1.00 0.00 N ATOM 891 CA GLU A 60 -7.899 -8.514 12.694 1.00 0.00 C ATOM 892 C GLU A 60 -6.864 -7.498 12.197 1.00 0.00 C ATOM 893 O GLU A 60 -5.698 -7.575 12.529 1.00 0.00 O ATOM 894 CB GLU A 60 -7.233 -9.481 13.677 1.00 0.00 C ATOM 895 CG GLU A 60 -6.869 -8.741 14.959 1.00 0.00 C ATOM 896 CD GLU A 60 -6.104 -9.681 15.893 1.00 0.00 C ATOM 897 OE1 GLU A 60 -5.745 -9.246 16.976 1.00 0.00 O ATOM 898 OE2 GLU A 60 -5.891 -10.819 15.511 1.00 0.00 O ATOM 0 H GLU A 60 -7.884 -9.294 10.701 1.00 0.00 H new ATOM 0 HA GLU A 60 -8.708 -7.980 13.191 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -7.907 -10.308 13.902 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -6.338 -9.912 13.228 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -6.260 -7.868 14.727 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -7.772 -8.378 15.451 1.00 0.00 H new ATOM 905 N LEU A 61 -7.283 -6.543 11.414 1.00 0.00 N ATOM 906 CA LEU A 61 -6.328 -5.516 10.909 1.00 0.00 C ATOM 907 C LEU A 61 -6.537 -4.212 11.686 1.00 0.00 C ATOM 908 O LEU A 61 -7.652 -3.846 12.006 1.00 0.00 O ATOM 909 CB LEU A 61 -6.570 -5.272 9.416 1.00 0.00 C ATOM 910 CG LEU A 61 -5.876 -6.358 8.586 1.00 0.00 C ATOM 911 CD1 LEU A 61 -4.362 -6.126 8.590 1.00 0.00 C ATOM 912 CD2 LEU A 61 -6.177 -7.738 9.178 1.00 0.00 C ATOM 0 H LEU A 61 -8.247 -6.429 11.101 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.306 -5.867 11.050 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -7.640 -5.273 9.208 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -6.191 -4.290 9.134 1.00 0.00 H new ATOM 0 HG LEU A 61 -6.249 -6.313 7.563 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.874 -6.901 7.999 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -4.143 -5.149 8.160 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.991 -6.163 9.614 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -5.681 -8.505 8.583 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.812 -7.781 10.204 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -7.253 -7.911 9.168 1.00 0.00 H new ATOM 924 N SER A 62 -5.476 -3.515 11.998 1.00 0.00 N ATOM 925 CA SER A 62 -5.612 -2.241 12.761 1.00 0.00 C ATOM 926 C SER A 62 -4.873 -1.117 12.030 1.00 0.00 C ATOM 927 O SER A 62 -4.036 -1.360 11.183 1.00 0.00 O ATOM 928 CB SER A 62 -5.013 -2.421 14.156 1.00 0.00 C ATOM 929 OG SER A 62 -4.099 -1.363 14.414 1.00 0.00 O ATOM 0 H SER A 62 -4.520 -3.774 11.756 1.00 0.00 H new ATOM 0 HA SER A 62 -6.667 -1.981 12.845 1.00 0.00 H new ATOM 0 HB2 SER A 62 -5.804 -2.425 14.906 1.00 0.00 H new ATOM 0 HB3 SER A 62 -4.504 -3.382 14.225 1.00 0.00 H new ATOM 0 HG SER A 62 -3.714 -1.474 15.308 1.00 0.00 H new ATOM 935 N PRO A 63 -5.186 0.107 12.363 1.00 0.00 N ATOM 936 CA PRO A 63 -4.551 1.306 11.739 1.00 0.00 C ATOM 937 C PRO A 63 -3.034 1.338 11.956 1.00 0.00 C ATOM 938 O PRO A 63 -2.300 1.931 11.191 1.00 0.00 O ATOM 939 CB PRO A 63 -5.216 2.498 12.439 1.00 0.00 C ATOM 940 CG PRO A 63 -5.866 1.947 13.665 1.00 0.00 C ATOM 941 CD PRO A 63 -6.182 0.483 13.373 1.00 0.00 C ATOM 0 HA PRO A 63 -4.690 1.311 10.658 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -4.480 3.259 12.697 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -5.950 2.972 11.788 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -5.205 2.036 14.527 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -6.775 2.499 13.903 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -6.096 -0.132 14.269 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -7.198 0.360 12.999 1.00 0.00 H new ATOM 949 N GLU A 64 -2.560 0.704 12.994 1.00 0.00 N ATOM 950 CA GLU A 64 -1.094 0.699 13.260 1.00 0.00 C ATOM 951 C GLU A 64 -0.365 0.011 12.104 1.00 0.00 C ATOM 952 O GLU A 64 0.759 0.342 11.781 1.00 0.00 O ATOM 953 CB GLU A 64 -0.815 -0.056 14.559 1.00 0.00 C ATOM 954 CG GLU A 64 -1.440 0.693 15.730 1.00 0.00 C ATOM 955 CD GLU A 64 -1.096 -0.021 17.038 1.00 0.00 C ATOM 956 OE1 GLU A 64 -0.553 -1.112 16.970 1.00 0.00 O ATOM 957 OE2 GLU A 64 -1.381 0.535 18.086 1.00 0.00 O ATOM 0 H GLU A 64 -3.125 0.189 13.669 1.00 0.00 H new ATOM 0 HA GLU A 64 -0.739 1.726 13.352 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -1.223 -1.065 14.500 1.00 0.00 H new ATOM 0 HB3 GLU A 64 0.260 -0.156 14.710 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -1.073 1.719 15.756 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -2.522 0.745 15.606 1.00 0.00 H new ATOM 964 N HIS A 65 -0.996 -0.944 11.481 1.00 0.00 N ATOM 965 CA HIS A 65 -0.343 -1.657 10.347 1.00 0.00 C ATOM 966 C HIS A 65 -0.181 -0.708 9.158 1.00 0.00 C ATOM 967 O HIS A 65 0.696 -0.875 8.334 1.00 0.00 O ATOM 968 CB HIS A 65 -1.205 -2.851 9.932 1.00 0.00 C ATOM 969 CG HIS A 65 -0.622 -3.480 8.698 1.00 0.00 C ATOM 970 ND1 HIS A 65 -1.250 -3.402 7.462 1.00 0.00 N ATOM 971 CD2 HIS A 65 0.534 -4.191 8.489 1.00 0.00 C ATOM 972 CE1 HIS A 65 -0.475 -4.051 6.573 1.00 0.00 C ATOM 973 NE2 HIS A 65 0.621 -4.547 7.149 1.00 0.00 N ATOM 0 H HIS A 65 -1.938 -1.263 11.708 1.00 0.00 H new ATOM 0 HA HIS A 65 0.640 -2.006 10.663 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -1.249 -3.581 10.740 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -2.228 -2.527 9.740 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -2.136 -2.938 7.264 1.00 0.00 H new ATOM 0 HD2 HIS A 65 1.262 -4.435 9.248 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -0.711 -4.157 5.524 1.00 0.00 H new ATOM 982 N PHE A 66 -1.018 0.287 9.059 1.00 0.00 N ATOM 983 CA PHE A 66 -0.913 1.243 7.921 1.00 0.00 C ATOM 984 C PHE A 66 -0.070 2.447 8.346 1.00 0.00 C ATOM 985 O PHE A 66 -0.090 3.487 7.717 1.00 0.00 O ATOM 986 CB PHE A 66 -2.313 1.707 7.519 1.00 0.00 C ATOM 987 CG PHE A 66 -3.122 0.518 7.059 1.00 0.00 C ATOM 988 CD1 PHE A 66 -3.120 0.146 5.710 1.00 0.00 C ATOM 989 CD2 PHE A 66 -3.872 -0.217 7.986 1.00 0.00 C ATOM 990 CE1 PHE A 66 -3.868 -0.959 5.287 1.00 0.00 C ATOM 991 CE2 PHE A 66 -4.620 -1.323 7.563 1.00 0.00 C ATOM 992 CZ PHE A 66 -4.618 -1.694 6.214 1.00 0.00 C ATOM 0 H PHE A 66 -1.772 0.480 9.718 1.00 0.00 H new ATOM 0 HA PHE A 66 -0.438 0.753 7.071 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -2.804 2.191 8.363 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -2.248 2.447 6.721 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -2.541 0.712 4.995 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -3.873 0.069 9.027 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -3.867 -1.245 4.246 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -5.198 -1.889 8.278 1.00 0.00 H new ATOM 0 HZ PHE A 66 -5.195 -2.547 5.887 1.00 0.00 H new ATOM 1002 N ARG A 67 0.663 2.316 9.417 1.00 0.00 N ATOM 1003 CA ARG A 67 1.503 3.451 9.900 1.00 0.00 C ATOM 1004 C ARG A 67 2.403 3.957 8.767 1.00 0.00 C ATOM 1005 O ARG A 67 2.622 5.143 8.624 1.00 0.00 O ATOM 1006 CB ARG A 67 2.373 2.966 11.067 1.00 0.00 C ATOM 1007 CG ARG A 67 3.173 4.128 11.667 1.00 0.00 C ATOM 1008 CD ARG A 67 2.296 4.924 12.637 1.00 0.00 C ATOM 1009 NE ARG A 67 3.086 6.049 13.211 1.00 0.00 N ATOM 1010 CZ ARG A 67 2.520 6.895 14.028 1.00 0.00 C ATOM 1011 NH1 ARG A 67 3.214 7.879 14.532 1.00 0.00 N ATOM 1012 NH2 ARG A 67 1.262 6.757 14.340 1.00 0.00 N ATOM 0 H ARG A 67 0.717 1.468 9.982 1.00 0.00 H new ATOM 0 HA ARG A 67 0.858 4.265 10.230 1.00 0.00 H new ATOM 0 HB2 ARG A 67 1.743 2.517 11.835 1.00 0.00 H new ATOM 0 HB3 ARG A 67 3.055 2.189 10.720 1.00 0.00 H new ATOM 0 HG2 ARG A 67 4.050 3.745 12.188 1.00 0.00 H new ATOM 0 HG3 ARG A 67 3.534 4.780 10.872 1.00 0.00 H new ATOM 0 HD2 ARG A 67 1.418 5.309 12.118 1.00 0.00 H new ATOM 0 HD3 ARG A 67 1.935 4.275 13.435 1.00 0.00 H new ATOM 0 HE ARG A 67 4.070 6.158 12.965 1.00 0.00 H new ATOM 0 HH11 ARG A 67 4.198 7.987 14.287 1.00 0.00 H new ATOM 0 HH12 ARG A 67 2.772 8.540 15.170 1.00 0.00 H new ATOM 0 HH21 ARG A 67 0.720 5.988 13.946 1.00 0.00 H new ATOM 0 HH22 ARG A 67 0.819 7.418 14.978 1.00 0.00 H new ATOM 1026 N SER A 68 2.938 3.074 7.966 1.00 0.00 N ATOM 1027 CA SER A 68 3.830 3.527 6.858 1.00 0.00 C ATOM 1028 C SER A 68 3.758 2.546 5.684 1.00 0.00 C ATOM 1029 O SER A 68 3.262 1.443 5.810 1.00 0.00 O ATOM 1030 CB SER A 68 5.270 3.601 7.367 1.00 0.00 C ATOM 1031 OG SER A 68 5.757 2.285 7.593 1.00 0.00 O ATOM 0 H SER A 68 2.798 2.066 8.030 1.00 0.00 H new ATOM 0 HA SER A 68 3.504 4.510 6.519 1.00 0.00 H new ATOM 0 HB2 SER A 68 5.899 4.114 6.639 1.00 0.00 H new ATOM 0 HB3 SER A 68 5.312 4.180 8.289 1.00 0.00 H new ATOM 0 HG SER A 68 6.681 2.329 7.918 1.00 0.00 H new ATOM 1037 N ILE A 69 4.254 2.943 4.541 1.00 0.00 N ATOM 1038 CA ILE A 69 4.227 2.051 3.353 1.00 0.00 C ATOM 1039 C ILE A 69 4.989 0.757 3.650 1.00 0.00 C ATOM 1040 O ILE A 69 4.622 -0.308 3.195 1.00 0.00 O ATOM 1041 CB ILE A 69 4.891 2.769 2.180 1.00 0.00 C ATOM 1042 CG1 ILE A 69 4.108 4.030 1.837 1.00 0.00 C ATOM 1043 CG2 ILE A 69 4.901 1.854 0.970 1.00 0.00 C ATOM 1044 CD1 ILE A 69 4.902 4.871 0.837 1.00 0.00 C ATOM 0 H ILE A 69 4.680 3.856 4.383 1.00 0.00 H new ATOM 0 HA ILE A 69 3.194 1.806 3.108 1.00 0.00 H new ATOM 0 HB ILE A 69 5.911 3.035 2.456 1.00 0.00 H new ATOM 0 HG12 ILE A 69 3.138 3.765 1.415 1.00 0.00 H new ATOM 0 HG13 ILE A 69 3.915 4.608 2.741 1.00 0.00 H new ATOM 0 HG21 ILE A 69 5.375 2.365 0.132 1.00 0.00 H new ATOM 0 HG22 ILE A 69 5.458 0.947 1.204 1.00 0.00 H new ATOM 0 HG23 ILE A 69 3.877 1.592 0.704 1.00 0.00 H new ATOM 0 HD11 ILE A 69 4.340 5.773 0.593 1.00 0.00 H new ATOM 0 HD12 ILE A 69 5.861 5.148 1.275 1.00 0.00 H new ATOM 0 HD13 ILE A 69 5.072 4.292 -0.071 1.00 0.00 H new ATOM 1056 N ARG A 70 6.059 0.840 4.395 1.00 0.00 N ATOM 1057 CA ARG A 70 6.848 -0.387 4.698 1.00 0.00 C ATOM 1058 C ARG A 70 5.977 -1.401 5.443 1.00 0.00 C ATOM 1059 O ARG A 70 6.052 -2.589 5.203 1.00 0.00 O ATOM 1060 CB ARG A 70 8.049 -0.015 5.570 1.00 0.00 C ATOM 1061 CG ARG A 70 8.990 0.900 4.784 1.00 0.00 C ATOM 1062 CD ARG A 70 10.248 1.171 5.610 1.00 0.00 C ATOM 1063 NE ARG A 70 9.863 1.760 6.924 1.00 0.00 N ATOM 1064 CZ ARG A 70 10.764 1.937 7.850 1.00 0.00 C ATOM 1065 NH1 ARG A 70 10.427 2.453 8.999 1.00 0.00 N ATOM 1066 NH2 ARG A 70 12.004 1.596 7.626 1.00 0.00 N ATOM 0 H ARG A 70 6.419 1.702 4.805 1.00 0.00 H new ATOM 0 HA ARG A 70 7.192 -0.830 3.763 1.00 0.00 H new ATOM 0 HB2 ARG A 70 7.711 0.487 6.477 1.00 0.00 H new ATOM 0 HB3 ARG A 70 8.578 -0.916 5.882 1.00 0.00 H new ATOM 0 HG2 ARG A 70 9.258 0.435 3.836 1.00 0.00 H new ATOM 0 HG3 ARG A 70 8.488 1.838 4.548 1.00 0.00 H new ATOM 0 HD2 ARG A 70 10.802 0.245 5.763 1.00 0.00 H new ATOM 0 HD3 ARG A 70 10.908 1.852 5.074 1.00 0.00 H new ATOM 0 HE ARG A 70 8.894 2.025 7.099 1.00 0.00 H new ATOM 0 HH11 ARG A 70 9.458 2.719 9.174 1.00 0.00 H new ATOM 0 HH12 ARG A 70 11.132 2.591 9.723 1.00 0.00 H new ATOM 0 HH21 ARG A 70 12.267 1.192 6.727 1.00 0.00 H new ATOM 0 HH22 ARG A 70 12.710 1.734 8.350 1.00 0.00 H new ATOM 1080 N SER A 71 5.146 -0.948 6.342 1.00 0.00 N ATOM 1081 CA SER A 71 4.277 -1.895 7.088 1.00 0.00 C ATOM 1082 C SER A 71 3.359 -2.626 6.105 1.00 0.00 C ATOM 1083 O SER A 71 3.160 -3.822 6.193 1.00 0.00 O ATOM 1084 CB SER A 71 3.436 -1.112 8.093 1.00 0.00 C ATOM 1085 OG SER A 71 4.296 -0.392 8.966 1.00 0.00 O ATOM 0 H SER A 71 5.033 0.035 6.590 1.00 0.00 H new ATOM 0 HA SER A 71 4.891 -2.625 7.615 1.00 0.00 H new ATOM 0 HB2 SER A 71 2.771 -0.424 7.570 1.00 0.00 H new ATOM 0 HB3 SER A 71 2.805 -1.792 8.665 1.00 0.00 H new ATOM 0 HG SER A 71 3.759 0.113 9.611 1.00 0.00 H new ATOM 1091 N ILE A 72 2.804 -1.915 5.162 1.00 0.00 N ATOM 1092 CA ILE A 72 1.910 -2.558 4.170 1.00 0.00 C ATOM 1093 C ILE A 72 2.716 -3.546 3.329 1.00 0.00 C ATOM 1094 O ILE A 72 2.247 -4.614 2.986 1.00 0.00 O ATOM 1095 CB ILE A 72 1.308 -1.481 3.270 1.00 0.00 C ATOM 1096 CG1 ILE A 72 0.506 -0.497 4.126 1.00 0.00 C ATOM 1097 CG2 ILE A 72 0.389 -2.135 2.247 1.00 0.00 C ATOM 1098 CD1 ILE A 72 -0.010 0.643 3.248 1.00 0.00 C ATOM 0 H ILE A 72 2.935 -0.911 5.039 1.00 0.00 H new ATOM 0 HA ILE A 72 1.110 -3.093 4.681 1.00 0.00 H new ATOM 0 HB ILE A 72 2.104 -0.946 2.752 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -0.330 -1.010 4.602 1.00 0.00 H new ATOM 0 HG13 ILE A 72 1.132 -0.100 4.925 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -0.042 -1.369 1.603 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.961 -2.838 1.641 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -0.410 -2.667 2.763 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -0.581 1.343 3.859 1.00 0.00 H new ATOM 0 HD12 ILE A 72 0.833 1.162 2.793 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -0.651 0.238 2.465 1.00 0.00 H new ATOM 1110 N ASP A 73 3.929 -3.200 2.995 1.00 0.00 N ATOM 1111 CA ASP A 73 4.768 -4.116 2.180 1.00 0.00 C ATOM 1112 C ASP A 73 4.870 -5.468 2.887 1.00 0.00 C ATOM 1113 O ASP A 73 4.867 -6.509 2.260 1.00 0.00 O ATOM 1114 CB ASP A 73 6.163 -3.513 2.020 1.00 0.00 C ATOM 1115 CG ASP A 73 6.079 -2.255 1.153 1.00 0.00 C ATOM 1116 OD1 ASP A 73 5.040 -2.042 0.552 1.00 0.00 O ATOM 1117 OD2 ASP A 73 7.058 -1.528 1.104 1.00 0.00 O ATOM 0 H ASP A 73 4.374 -2.319 3.253 1.00 0.00 H new ATOM 0 HA ASP A 73 4.318 -4.254 1.197 1.00 0.00 H new ATOM 0 HB2 ASP A 73 6.579 -3.267 2.997 1.00 0.00 H new ATOM 0 HB3 ASP A 73 6.834 -4.239 1.562 1.00 0.00 H new ATOM 1122 N ALA A 74 4.956 -5.462 4.190 1.00 0.00 N ATOM 1123 CA ALA A 74 5.054 -6.749 4.930 1.00 0.00 C ATOM 1124 C ALA A 74 3.789 -7.566 4.679 1.00 0.00 C ATOM 1125 O ALA A 74 3.843 -8.755 4.433 1.00 0.00 O ATOM 1126 CB ALA A 74 5.195 -6.470 6.427 1.00 0.00 C ATOM 0 H ALA A 74 4.962 -4.624 4.771 1.00 0.00 H new ATOM 0 HA ALA A 74 5.926 -7.306 4.586 1.00 0.00 H new ATOM 0 HB1 ALA A 74 5.267 -7.414 6.968 1.00 0.00 H new ATOM 0 HB2 ALA A 74 6.095 -5.881 6.604 1.00 0.00 H new ATOM 0 HB3 ALA A 74 4.324 -5.916 6.778 1.00 0.00 H new ATOM 1132 N PHE A 75 2.646 -6.937 4.729 1.00 0.00 N ATOM 1133 CA PHE A 75 1.381 -7.683 4.480 1.00 0.00 C ATOM 1134 C PHE A 75 1.379 -8.201 3.042 1.00 0.00 C ATOM 1135 O PHE A 75 1.092 -9.354 2.785 1.00 0.00 O ATOM 1136 CB PHE A 75 0.187 -6.755 4.688 1.00 0.00 C ATOM 1137 CG PHE A 75 -1.095 -7.539 4.536 1.00 0.00 C ATOM 1138 CD1 PHE A 75 -1.757 -7.567 3.303 1.00 0.00 C ATOM 1139 CD2 PHE A 75 -1.620 -8.238 5.628 1.00 0.00 C ATOM 1140 CE1 PHE A 75 -2.945 -8.294 3.163 1.00 0.00 C ATOM 1141 CE2 PHE A 75 -2.808 -8.966 5.489 1.00 0.00 C ATOM 1142 CZ PHE A 75 -3.471 -8.994 4.255 1.00 0.00 C ATOM 0 H PHE A 75 2.534 -5.943 4.931 1.00 0.00 H new ATOM 0 HA PHE A 75 1.309 -8.521 5.174 1.00 0.00 H new ATOM 0 HB2 PHE A 75 0.233 -6.302 5.678 1.00 0.00 H new ATOM 0 HB3 PHE A 75 0.216 -5.941 3.964 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -1.351 -7.028 2.460 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -1.109 -8.216 6.579 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -3.456 -8.315 2.212 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -3.213 -9.506 6.332 1.00 0.00 H new ATOM 0 HZ PHE A 75 -4.387 -9.555 4.146 1.00 0.00 H new ATOM 1152 N VAL A 76 1.707 -7.357 2.103 1.00 0.00 N ATOM 1153 CA VAL A 76 1.738 -7.788 0.684 1.00 0.00 C ATOM 1154 C VAL A 76 2.824 -8.849 0.502 1.00 0.00 C ATOM 1155 O VAL A 76 2.646 -9.821 -0.206 1.00 0.00 O ATOM 1156 CB VAL A 76 2.048 -6.580 -0.196 1.00 0.00 C ATOM 1157 CG1 VAL A 76 2.308 -7.047 -1.622 1.00 0.00 C ATOM 1158 CG2 VAL A 76 0.855 -5.620 -0.184 1.00 0.00 C ATOM 0 H VAL A 76 1.956 -6.381 2.263 1.00 0.00 H new ATOM 0 HA VAL A 76 0.773 -8.208 0.402 1.00 0.00 H new ATOM 0 HB VAL A 76 2.931 -6.068 0.187 1.00 0.00 H new ATOM 0 HG11 VAL A 76 2.530 -6.186 -2.252 1.00 0.00 H new ATOM 0 HG12 VAL A 76 3.156 -7.732 -1.632 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.425 -7.558 -2.004 1.00 0.00 H new ATOM 0 HG21 VAL A 76 1.076 -4.757 -0.812 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -0.028 -6.132 -0.568 1.00 0.00 H new ATOM 0 HG23 VAL A 76 0.666 -5.287 0.837 1.00 0.00 H new ATOM 1168 N VAL A 77 3.950 -8.668 1.135 1.00 0.00 N ATOM 1169 CA VAL A 77 5.049 -9.654 1.004 1.00 0.00 C ATOM 1170 C VAL A 77 4.560 -11.031 1.456 1.00 0.00 C ATOM 1171 O VAL A 77 4.823 -12.035 0.823 1.00 0.00 O ATOM 1172 CB VAL A 77 6.211 -9.214 1.889 1.00 0.00 C ATOM 1173 CG1 VAL A 77 7.241 -10.335 1.967 1.00 0.00 C ATOM 1174 CG2 VAL A 77 6.863 -7.964 1.291 1.00 0.00 C ATOM 0 H VAL A 77 4.153 -7.873 1.740 1.00 0.00 H new ATOM 0 HA VAL A 77 5.372 -9.712 -0.036 1.00 0.00 H new ATOM 0 HB VAL A 77 5.841 -8.988 2.889 1.00 0.00 H new ATOM 0 HG11 VAL A 77 8.072 -10.022 2.599 1.00 0.00 H new ATOM 0 HG12 VAL A 77 6.778 -11.226 2.391 1.00 0.00 H new ATOM 0 HG13 VAL A 77 7.611 -10.560 0.967 1.00 0.00 H new ATOM 0 HG21 VAL A 77 7.693 -7.649 1.923 1.00 0.00 H new ATOM 0 HG22 VAL A 77 7.233 -8.190 0.291 1.00 0.00 H new ATOM 0 HG23 VAL A 77 6.127 -7.162 1.233 1.00 0.00 H new ATOM 1184 N GLY A 78 3.853 -11.088 2.552 1.00 0.00 N ATOM 1185 CA GLY A 78 3.352 -12.400 3.052 1.00 0.00 C ATOM 1186 C GLY A 78 2.349 -13.000 2.062 1.00 0.00 C ATOM 1187 O GLY A 78 2.358 -14.187 1.802 1.00 0.00 O ATOM 0 H GLY A 78 3.601 -10.282 3.123 1.00 0.00 H new ATOM 0 HA2 GLY A 78 4.187 -13.086 3.194 1.00 0.00 H new ATOM 0 HA3 GLY A 78 2.879 -12.269 4.025 1.00 0.00 H new ATOM 1191 N ALA A 79 1.478 -12.195 1.514 1.00 0.00 N ATOM 1192 CA ALA A 79 0.474 -12.735 0.550 1.00 0.00 C ATOM 1193 C ALA A 79 1.143 -12.989 -0.800 1.00 0.00 C ATOM 1194 O ALA A 79 1.021 -14.052 -1.377 1.00 0.00 O ATOM 1195 CB ALA A 79 -0.660 -11.721 0.374 1.00 0.00 C ATOM 0 H ALA A 79 1.418 -11.192 1.691 1.00 0.00 H new ATOM 0 HA ALA A 79 0.070 -13.671 0.935 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -1.394 -12.114 -0.330 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -1.140 -11.541 1.336 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -0.255 -10.785 -0.010 1.00 0.00 H new ATOM 1201 N THR A 80 1.858 -12.021 -1.296 1.00 0.00 N ATOM 1202 CA THR A 80 2.557 -12.189 -2.600 1.00 0.00 C ATOM 1203 C THR A 80 4.020 -11.806 -2.407 1.00 0.00 C ATOM 1204 O THR A 80 4.355 -11.082 -1.495 1.00 0.00 O ATOM 1205 CB THR A 80 1.919 -11.273 -3.648 1.00 0.00 C ATOM 1206 OG1 THR A 80 2.280 -9.926 -3.378 1.00 0.00 O ATOM 1207 CG2 THR A 80 0.397 -11.416 -3.596 1.00 0.00 C ATOM 0 H THR A 80 1.990 -11.113 -0.851 1.00 0.00 H new ATOM 0 HA THR A 80 2.478 -13.221 -2.941 1.00 0.00 H new ATOM 0 HB THR A 80 2.273 -11.553 -4.640 1.00 0.00 H new ATOM 0 HG1 THR A 80 2.302 -9.781 -2.409 1.00 0.00 H new ATOM 0 HG21 THR A 80 -0.055 -10.763 -4.343 1.00 0.00 H new ATOM 0 HG22 THR A 80 0.121 -12.450 -3.803 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.039 -11.137 -2.605 1.00 0.00 H new ATOM 1215 N THR A 81 4.897 -12.283 -3.243 1.00 0.00 N ATOM 1216 CA THR A 81 6.332 -11.928 -3.072 1.00 0.00 C ATOM 1217 C THR A 81 6.984 -11.681 -4.437 1.00 0.00 C ATOM 1218 O THR A 81 7.558 -12.576 -5.025 1.00 0.00 O ATOM 1219 CB THR A 81 7.044 -13.080 -2.361 1.00 0.00 C ATOM 1220 OG1 THR A 81 8.449 -12.933 -2.509 1.00 0.00 O ATOM 1221 CG2 THR A 81 6.599 -14.412 -2.967 1.00 0.00 C ATOM 0 H THR A 81 4.686 -12.897 -4.030 1.00 0.00 H new ATOM 0 HA THR A 81 6.413 -11.017 -2.479 1.00 0.00 H new ATOM 0 HB THR A 81 6.789 -13.064 -1.301 1.00 0.00 H new ATOM 0 HG1 THR A 81 8.696 -13.073 -3.447 1.00 0.00 H new ATOM 0 HG21 THR A 81 7.108 -15.231 -2.459 1.00 0.00 H new ATOM 0 HG22 THR A 81 5.521 -14.524 -2.847 1.00 0.00 H new ATOM 0 HG23 THR A 81 6.850 -14.431 -4.027 1.00 0.00 H new ATOM 1229 N PRO A 82 6.917 -10.469 -4.928 1.00 0.00 N ATOM 1230 CA PRO A 82 7.534 -10.099 -6.232 1.00 0.00 C ATOM 1231 C PRO A 82 9.065 -10.132 -6.152 1.00 0.00 C ATOM 1232 O PRO A 82 9.625 -10.459 -5.124 1.00 0.00 O ATOM 1233 CB PRO A 82 7.043 -8.668 -6.504 1.00 0.00 C ATOM 1234 CG PRO A 82 6.001 -8.369 -5.470 1.00 0.00 C ATOM 1235 CD PRO A 82 6.243 -9.325 -4.303 1.00 0.00 C ATOM 0 HA PRO A 82 7.255 -10.795 -7.023 1.00 0.00 H new ATOM 0 HB2 PRO A 82 7.867 -7.957 -6.441 1.00 0.00 H new ATOM 0 HB3 PRO A 82 6.627 -8.585 -7.508 1.00 0.00 H new ATOM 0 HG2 PRO A 82 6.071 -7.332 -5.140 1.00 0.00 H new ATOM 0 HG3 PRO A 82 5.000 -8.506 -5.880 1.00 0.00 H new ATOM 0 HD2 PRO A 82 6.862 -8.867 -3.532 1.00 0.00 H new ATOM 0 HD3 PRO A 82 5.308 -9.621 -3.827 1.00 0.00 H new ATOM 1243 N PRO A 83 9.739 -9.793 -7.218 1.00 0.00 N ATOM 1244 CA PRO A 83 11.231 -9.784 -7.246 1.00 0.00 C ATOM 1245 C PRO A 83 11.804 -8.817 -6.207 1.00 0.00 C ATOM 1246 O PRO A 83 11.202 -7.811 -5.890 1.00 0.00 O ATOM 1247 CB PRO A 83 11.586 -9.316 -8.661 1.00 0.00 C ATOM 1248 CG PRO A 83 10.342 -9.475 -9.475 1.00 0.00 C ATOM 1249 CD PRO A 83 9.164 -9.385 -8.506 1.00 0.00 C ATOM 0 HA PRO A 83 11.645 -10.764 -7.008 1.00 0.00 H new ATOM 0 HB2 PRO A 83 11.918 -8.278 -8.656 1.00 0.00 H new ATOM 0 HB3 PRO A 83 12.401 -9.910 -9.075 1.00 0.00 H new ATOM 0 HG2 PRO A 83 10.276 -8.698 -10.236 1.00 0.00 H new ATOM 0 HG3 PRO A 83 10.341 -10.432 -9.996 1.00 0.00 H new ATOM 0 HD2 PRO A 83 8.759 -8.374 -8.461 1.00 0.00 H new ATOM 0 HD3 PRO A 83 8.348 -10.042 -8.806 1.00 0.00 H new ATOM 1257 N VAL A 84 12.956 -9.116 -5.668 1.00 0.00 N ATOM 1258 CA VAL A 84 13.558 -8.217 -4.639 1.00 0.00 C ATOM 1259 C VAL A 84 14.970 -7.812 -5.063 1.00 0.00 C ATOM 1260 O VAL A 84 15.721 -8.600 -5.603 1.00 0.00 O ATOM 1261 CB VAL A 84 13.629 -8.955 -3.301 1.00 0.00 C ATOM 1262 CG1 VAL A 84 12.240 -9.474 -2.927 1.00 0.00 C ATOM 1263 CG2 VAL A 84 14.597 -10.134 -3.419 1.00 0.00 C ATOM 0 H VAL A 84 13.507 -9.944 -5.895 1.00 0.00 H new ATOM 0 HA VAL A 84 12.941 -7.324 -4.539 1.00 0.00 H new ATOM 0 HB VAL A 84 13.980 -8.270 -2.529 1.00 0.00 H new ATOM 0 HG11 VAL A 84 12.293 -10.000 -1.973 1.00 0.00 H new ATOM 0 HG12 VAL A 84 11.549 -8.635 -2.842 1.00 0.00 H new ATOM 0 HG13 VAL A 84 11.887 -10.158 -3.699 1.00 0.00 H new ATOM 0 HG21 VAL A 84 14.648 -10.660 -2.466 1.00 0.00 H new ATOM 0 HG22 VAL A 84 14.246 -10.817 -4.192 1.00 0.00 H new ATOM 0 HG23 VAL A 84 15.588 -9.766 -3.683 1.00 0.00 H new ATOM 1273 N GLU A 85 15.339 -6.584 -4.812 1.00 0.00 N ATOM 1274 CA GLU A 85 16.701 -6.120 -5.187 1.00 0.00 C ATOM 1275 C GLU A 85 17.230 -5.181 -4.100 1.00 0.00 C ATOM 1276 O GLU A 85 18.388 -5.230 -3.733 1.00 0.00 O ATOM 1277 CB GLU A 85 16.640 -5.372 -6.522 1.00 0.00 C ATOM 1278 CG GLU A 85 16.186 -6.331 -7.625 1.00 0.00 C ATOM 1279 CD GLU A 85 17.210 -7.458 -7.780 1.00 0.00 C ATOM 1280 OE1 GLU A 85 16.858 -8.477 -8.349 1.00 0.00 O ATOM 1281 OE2 GLU A 85 18.331 -7.280 -7.330 1.00 0.00 O ATOM 0 H GLU A 85 14.752 -5.882 -4.362 1.00 0.00 H new ATOM 0 HA GLU A 85 17.365 -6.979 -5.286 1.00 0.00 H new ATOM 0 HB2 GLU A 85 15.949 -4.532 -6.449 1.00 0.00 H new ATOM 0 HB3 GLU A 85 17.619 -4.959 -6.765 1.00 0.00 H new ATOM 0 HG2 GLU A 85 15.208 -6.746 -7.380 1.00 0.00 H new ATOM 0 HG3 GLU A 85 16.077 -5.793 -8.567 1.00 0.00 H new ATOM 1288 N ALA A 86 16.386 -4.328 -3.581 1.00 0.00 N ATOM 1289 CA ALA A 86 16.829 -3.383 -2.515 1.00 0.00 C ATOM 1290 C ALA A 86 15.848 -2.211 -2.436 1.00 0.00 C ATOM 1291 O ALA A 86 15.958 -1.249 -3.169 1.00 0.00 O ATOM 1292 CB ALA A 86 18.225 -2.853 -2.846 1.00 0.00 C ATOM 0 H ALA A 86 15.406 -4.245 -3.851 1.00 0.00 H new ATOM 0 HA ALA A 86 16.856 -3.904 -1.558 1.00 0.00 H new ATOM 0 HB1 ALA A 86 18.547 -2.163 -2.066 1.00 0.00 H new ATOM 0 HB2 ALA A 86 18.926 -3.686 -2.905 1.00 0.00 H new ATOM 0 HB3 ALA A 86 18.199 -2.332 -3.803 1.00 0.00 H new ATOM 1298 N LYS A 87 14.888 -2.281 -1.554 1.00 0.00 N ATOM 1299 CA LYS A 87 13.906 -1.166 -1.435 1.00 0.00 C ATOM 1300 C LYS A 87 14.651 0.136 -1.136 1.00 0.00 C ATOM 1301 O LYS A 87 14.305 1.190 -1.634 1.00 0.00 O ATOM 1302 CB LYS A 87 12.925 -1.464 -0.298 1.00 0.00 C ATOM 1303 CG LYS A 87 11.834 -0.390 -0.267 1.00 0.00 C ATOM 1304 CD LYS A 87 10.889 -0.652 0.908 1.00 0.00 C ATOM 1305 CE LYS A 87 9.706 0.317 0.840 1.00 0.00 C ATOM 1306 NZ LYS A 87 9.073 0.234 -0.507 1.00 0.00 N ATOM 0 H LYS A 87 14.742 -3.060 -0.912 1.00 0.00 H new ATOM 0 HA LYS A 87 13.355 -1.066 -2.370 1.00 0.00 H new ATOM 0 HB2 LYS A 87 12.477 -2.448 -0.439 1.00 0.00 H new ATOM 0 HB3 LYS A 87 13.453 -1.488 0.655 1.00 0.00 H new ATOM 0 HG2 LYS A 87 12.285 0.598 -0.171 1.00 0.00 H new ATOM 0 HG3 LYS A 87 11.276 -0.396 -1.204 1.00 0.00 H new ATOM 0 HD2 LYS A 87 10.531 -1.681 0.878 1.00 0.00 H new ATOM 0 HD3 LYS A 87 11.421 -0.527 1.851 1.00 0.00 H new ATOM 0 HE2 LYS A 87 8.977 0.072 1.612 1.00 0.00 H new ATOM 0 HE3 LYS A 87 10.044 1.335 1.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 8.083 0.546 -0.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 9.588 0.846 -1.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 9.106 -0.749 -0.846 1.00 0.00 H new ATOM 1320 N LEU A 88 15.673 0.072 -0.328 1.00 0.00 N ATOM 1321 CA LEU A 88 16.443 1.305 0.002 1.00 0.00 C ATOM 1322 C LEU A 88 17.752 1.314 -0.791 1.00 0.00 C ATOM 1323 O LEU A 88 18.486 0.345 -0.804 1.00 0.00 O ATOM 1324 CB LEU A 88 16.753 1.326 1.501 1.00 0.00 C ATOM 1325 CG LEU A 88 17.429 2.651 1.868 1.00 0.00 C ATOM 1326 CD1 LEU A 88 16.417 3.797 1.779 1.00 0.00 C ATOM 1327 CD2 LEU A 88 17.972 2.564 3.297 1.00 0.00 C ATOM 0 H LEU A 88 16.009 -0.781 0.119 1.00 0.00 H new ATOM 0 HA LEU A 88 15.854 2.184 -0.259 1.00 0.00 H new ATOM 0 HB2 LEU A 88 15.834 1.204 2.074 1.00 0.00 H new ATOM 0 HB3 LEU A 88 17.403 0.490 1.760 1.00 0.00 H new ATOM 0 HG LEU A 88 18.247 2.841 1.173 1.00 0.00 H new ATOM 0 HD11 LEU A 88 16.906 4.735 2.041 1.00 0.00 H new ATOM 0 HD12 LEU A 88 16.029 3.862 0.762 1.00 0.00 H new ATOM 0 HD13 LEU A 88 15.595 3.611 2.470 1.00 0.00 H new ATOM 0 HD21 LEU A 88 18.454 3.505 3.561 1.00 0.00 H new ATOM 0 HD22 LEU A 88 17.151 2.370 3.987 1.00 0.00 H new ATOM 0 HD23 LEU A 88 18.699 1.754 3.361 1.00 0.00 H new ATOM 1339 N GLN A 89 18.052 2.399 -1.450 1.00 0.00 N ATOM 1340 CA GLN A 89 19.314 2.464 -2.239 1.00 0.00 C ATOM 1341 C GLN A 89 19.518 3.889 -2.760 1.00 0.00 C ATOM 1342 O GLN A 89 19.113 4.152 -3.881 1.00 0.00 O ATOM 1343 CB GLN A 89 19.230 1.496 -3.421 1.00 0.00 C ATOM 1344 CG GLN A 89 20.580 1.446 -4.140 1.00 0.00 C ATOM 1345 CD GLN A 89 20.508 0.447 -5.295 1.00 0.00 C ATOM 1346 OE1 GLN A 89 19.528 -0.255 -5.446 1.00 0.00 O ATOM 1347 NE2 GLN A 89 21.512 0.352 -6.123 1.00 0.00 N ATOM 1348 OXT GLN A 89 20.073 4.692 -2.029 1.00 0.00 O ATOM 0 H GLN A 89 17.479 3.242 -1.476 1.00 0.00 H new ATOM 0 HA GLN A 89 20.154 2.186 -1.602 1.00 0.00 H new ATOM 0 HB2 GLN A 89 18.956 0.501 -3.070 1.00 0.00 H new ATOM 0 HB3 GLN A 89 18.450 1.816 -4.112 1.00 0.00 H new ATOM 0 HG2 GLN A 89 20.840 2.435 -4.517 1.00 0.00 H new ATOM 0 HG3 GLN A 89 21.365 1.155 -3.442 1.00 0.00 H new ATOM 0 HE21 GLN A 89 22.335 0.941 -5.996 1.00 0.00 H new ATOM 0 HE22 GLN A 89 21.474 -0.311 -6.897 1.00 0.00 H new TER 1357 GLN A 89 HETATM 1358 O8 7V9 A 101 -9.902 -4.917 7.757 1.00 0.00 O HETATM 1359 P 7V9 A 101 -12.655 3.600 7.915 1.00 0.00 P HETATM 1360 C4 7V9 A 101 -9.851 -0.908 11.175 1.00 0.00 C HETATM 1361 C2 7V9 A 101 -10.488 1.185 9.967 1.00 0.00 C HETATM 1362 O1P 7V9 A 101 -12.941 2.446 7.033 1.00 0.00 O HETATM 1363 O2P 7V9 A 101 -13.771 4.335 8.552 1.00 0.00 O HETATM 1364 O3P 7V9 A 101 -11.650 3.110 9.074 1.00 0.00 O HETATM 1365 C1 7V9 A 101 -11.422 1.711 8.875 1.00 0.00 C HETATM 1366 CE1 7V9 A 101 -10.481 2.159 11.147 1.00 0.00 C HETATM 1367 CE2 7V9 A 101 -9.068 1.054 9.409 1.00 0.00 C HETATM 1368 C3 7V9 A 101 -10.977 -0.185 10.436 1.00 0.00 C HETATM 1369 O3 7V9 A 101 -12.081 -0.014 11.315 1.00 0.00 O HETATM 1370 O4 7V9 A 101 -9.758 -0.858 12.386 1.00 0.00 O HETATM 1371 N5 7V9 A 101 -9.031 -1.632 10.463 1.00 0.00 N HETATM 1372 C6 7V9 A 101 -9.539 -2.826 9.731 1.00 0.00 C HETATM 1373 C7 7V9 A 101 -9.284 -2.651 8.231 1.00 0.00 C HETATM 1374 C8 7V9 A 101 -9.098 -4.023 7.579 1.00 0.00 C HETATM 1375 N9 7V9 A 101 -7.991 -4.232 6.919 1.00 0.00 N HETATM 1376 C10 7V9 A 101 -7.938 -3.972 5.453 1.00 0.00 C HETATM 1377 C11 7V9 A 101 -7.294 -5.166 4.743 1.00 0.00 C HETATM 1378 S12 7V9 A 101 -5.798 -4.620 3.880 1.00 0.00 S HETATM 1379 C13 7V9 A 101 -5.759 -5.931 2.632 1.00 0.00 C HETATM 1380 O13 7V9 A 101 -5.610 -7.089 2.971 1.00 0.00 O HETATM 1381 C14 7V9 A 101 -4.831 -5.329 1.772 1.00 0.00 C HETATM 1382 C15 7V9 A 101 -3.509 -5.140 2.193 1.00 0.00 C HETATM 1383 N16 7V9 A 101 -2.559 -4.778 1.316 1.00 0.00 N HETATM 1384 C17 7V9 A 101 -2.844 -4.584 0.018 1.00 0.00 C HETATM 1385 C18 7V9 A 101 -4.150 -4.759 -0.455 1.00 0.00 C HETATM 1386 C19 7V9 A 101 -5.161 -5.109 0.437 1.00 0.00 C