USER MOD reduce.3.24.130724 H: found=0, std=0, add=631, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 628 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 9 ASN : amide:sc= 1.06 K(o=2.3,f=-10!) USER MOD Set 1.2: A 21 LYS NZ :NH3+ -108:sc= 1.24 (180deg=-0.393) USER MOD Single : A 1 MET CE :methyl 140:sc= -0.0862 (180deg=-0.322) USER MOD Single : A 1 MET N :NH3+ 160:sc= 1.34 (180deg=1.15) USER MOD Single : A 2 GLN :FLIP amide:sc= -0.018 F(o=-0.71,f=-0.018) USER MOD Single : A 3 HIS :FLIP no HD1:sc= -0.193 F(o=-0.88,f=-0.19) USER MOD Single : A 16 ASN : amide:sc= -0.175 X(o=-0.18,f=-0.006) USER MOD Single : A 22 HIS : no HE2:sc= 0.189 K(o=0.19,f=-0.68) USER MOD Single : A 23 THR OG1 : rot -39:sc= 0.0379 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot -38:sc= 0.315 USER MOD Single : A 28 SER OG : rot -84:sc= 0.899 USER MOD Single : A 33 ASN : amide:sc= 0.698 K(o=0.7,f=-0.2) USER MOD Single : A 39 SER OG : rot 180:sc= -0.0991 USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 47 THR OG1 : rot 78:sc= 0.787 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= -0.141 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 THR OG1 : rot -153:sc= 0.55 USER MOD Single : A 69 THR OG1 : rot -97:sc= 0.464 USER MOD Single : A 72 SER OG : rot -130:sc= -0.0559 USER MOD Single : A 79 HIS : no HD1:sc= -0.0158 X(o=-0.016,f=0) USER MOD Single : A 80 LYS NZ :NH3+ 179:sc= 0.834 (180deg=0.832) USER MOD Single : A 82 SER OG : rot 91:sc= 0.846 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.182 -8.541 -5.295 1.00 0.00 N ATOM 2 CA MET A 1 -6.754 -8.179 -5.132 1.00 0.00 C ATOM 3 C MET A 1 -5.979 -9.366 -4.553 1.00 0.00 C ATOM 4 O MET A 1 -6.451 -10.035 -3.632 1.00 0.00 O ATOM 5 CB MET A 1 -6.609 -6.918 -4.238 1.00 0.00 C ATOM 6 CG MET A 1 -6.984 -5.595 -4.927 1.00 0.00 C ATOM 7 SD MET A 1 -8.646 -5.587 -5.670 1.00 0.00 S ATOM 8 CE MET A 1 -8.305 -5.876 -7.414 1.00 0.00 C ATOM 0 H1 MET A 1 -8.755 -7.675 -5.357 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.302 -9.098 -6.165 1.00 0.00 H new ATOM 0 H3 MET A 1 -8.493 -9.104 -4.478 1.00 0.00 H new ATOM 0 HA MET A 1 -6.333 -7.939 -6.108 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.235 -7.042 -3.354 1.00 0.00 H new ATOM 0 HB3 MET A 1 -5.578 -6.852 -3.891 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.920 -4.787 -4.198 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.250 -5.382 -5.704 1.00 0.00 H new ATOM 0 HE1 MET A 1 -9.054 -6.553 -7.824 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.338 -4.929 -7.953 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.316 -6.321 -7.522 1.00 0.00 H new ATOM 18 N GLN A 2 -4.805 -9.642 -5.136 1.00 0.00 N ATOM 19 CA GLN A 2 -3.935 -10.754 -4.720 1.00 0.00 C ATOM 20 C GLN A 2 -2.769 -10.258 -3.843 1.00 0.00 C ATOM 21 O GLN A 2 -2.169 -11.038 -3.095 1.00 0.00 O ATOM 22 CB GLN A 2 -3.437 -11.529 -5.978 1.00 0.00 C ATOM 23 CG GLN A 2 -2.682 -10.671 -7.044 1.00 0.00 C ATOM 24 CD GLN A 2 -1.180 -10.956 -7.175 1.00 0.00 C ATOM 25 OE1 GLN A 2 -0.519 -11.332 -6.084 1.00 0.00 O flip ATOM 26 NE2 GLN A 2 -0.612 -10.813 -8.254 1.00 0.00 N flip ATOM 0 H GLN A 2 -4.429 -9.099 -5.913 1.00 0.00 H new ATOM 0 HA GLN A 2 -4.511 -11.443 -4.102 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -2.777 -12.332 -5.650 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -4.296 -11.998 -6.457 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -3.151 -10.833 -8.014 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -2.814 -9.617 -6.798 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -1.143 -10.524 -9.075 1.00 0.00 H new ATOM 0 HE22 GLN A 2 0.391 -10.984 -8.329 1.00 0.00 H new ATOM 35 N HIS A 3 -2.441 -8.957 -3.948 1.00 0.00 N ATOM 36 CA HIS A 3 -1.270 -8.370 -3.260 1.00 0.00 C ATOM 37 C HIS A 3 -1.604 -7.821 -1.864 1.00 0.00 C ATOM 38 O HIS A 3 -0.675 -7.569 -1.102 1.00 0.00 O ATOM 39 CB HIS A 3 -0.630 -7.242 -4.102 1.00 0.00 C ATOM 40 CG HIS A 3 0.012 -7.674 -5.394 1.00 0.00 C ATOM 41 ND1 HIS A 3 -0.350 -7.473 -6.684 1.00 0.00 N flip ATOM 42 CD2 HIS A 3 1.196 -8.372 -5.445 1.00 0.00 C flip ATOM 43 CE1 HIS A 3 0.606 -8.043 -7.474 1.00 0.00 C flip ATOM 44 NE2 HIS A 3 1.525 -8.576 -6.701 1.00 0.00 N flip ATOM 0 H HIS A 3 -2.972 -8.287 -4.505 1.00 0.00 H new ATOM 0 HA HIS A 3 -0.563 -9.191 -3.140 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -1.398 -6.503 -4.329 1.00 0.00 H new ATOM 0 HB3 HIS A 3 0.123 -6.742 -3.493 1.00 0.00 H new ATOM 0 HD2 HIS A 3 1.765 -8.701 -4.588 1.00 0.00 H new ATOM 0 HE1 HIS A 3 0.607 -8.054 -8.554 1.00 0.00 H new ATOM 0 HE2 HIS A 3 2.358 -9.068 -7.023 1.00 0.00 H new ATOM 53 N LEU A 4 -2.912 -7.636 -1.527 1.00 0.00 N ATOM 54 CA LEU A 4 -3.344 -7.020 -0.229 1.00 0.00 C ATOM 55 C LEU A 4 -2.739 -7.748 0.993 1.00 0.00 C ATOM 56 O LEU A 4 -2.550 -7.143 2.048 1.00 0.00 O ATOM 57 CB LEU A 4 -4.905 -6.985 -0.075 1.00 0.00 C ATOM 58 CG LEU A 4 -5.609 -8.311 0.392 1.00 0.00 C ATOM 59 CD1 LEU A 4 -7.087 -8.072 0.754 1.00 0.00 C ATOM 60 CD2 LEU A 4 -5.473 -9.438 -0.654 1.00 0.00 C ATOM 0 H LEU A 4 -3.688 -7.903 -2.133 1.00 0.00 H new ATOM 0 HA LEU A 4 -2.968 -5.997 -0.257 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -5.157 -6.199 0.637 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -5.333 -6.695 -1.034 1.00 0.00 H new ATOM 0 HG LEU A 4 -5.092 -8.638 1.294 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -7.540 -9.011 1.072 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -7.150 -7.346 1.564 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -7.618 -7.690 -0.118 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -5.974 -10.335 -0.290 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -5.931 -9.122 -1.591 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -4.418 -9.654 -0.821 1.00 0.00 H new ATOM 72 N GLU A 5 -2.461 -9.052 0.817 1.00 0.00 N ATOM 73 CA GLU A 5 -1.897 -9.913 1.861 1.00 0.00 C ATOM 74 C GLU A 5 -0.446 -9.494 2.186 1.00 0.00 C ATOM 75 O GLU A 5 -0.070 -9.351 3.355 1.00 0.00 O ATOM 76 CB GLU A 5 -1.952 -11.390 1.401 1.00 0.00 C ATOM 77 CG GLU A 5 -1.415 -12.406 2.427 1.00 0.00 C ATOM 78 CD GLU A 5 -1.354 -13.837 1.876 1.00 0.00 C ATOM 79 OE1 GLU A 5 -0.362 -14.176 1.190 1.00 0.00 O ATOM 80 OE2 GLU A 5 -2.295 -14.623 2.110 1.00 0.00 O ATOM 0 H GLU A 5 -2.625 -9.539 -0.064 1.00 0.00 H new ATOM 0 HA GLU A 5 -2.488 -9.804 2.770 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -2.985 -11.644 1.165 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -1.381 -11.490 0.478 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -0.418 -12.102 2.744 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -2.050 -12.390 3.313 1.00 0.00 H new ATOM 87 N ALA A 6 0.354 -9.286 1.132 1.00 0.00 N ATOM 88 CA ALA A 6 1.750 -8.840 1.263 1.00 0.00 C ATOM 89 C ALA A 6 1.831 -7.379 1.739 1.00 0.00 C ATOM 90 O ALA A 6 2.747 -7.018 2.480 1.00 0.00 O ATOM 91 CB ALA A 6 2.497 -9.032 -0.059 1.00 0.00 C ATOM 0 H ALA A 6 0.054 -9.421 0.166 1.00 0.00 H new ATOM 0 HA ALA A 6 2.232 -9.455 2.023 1.00 0.00 H new ATOM 0 HB1 ALA A 6 3.528 -8.698 0.054 1.00 0.00 H new ATOM 0 HB2 ALA A 6 2.486 -10.087 -0.333 1.00 0.00 H new ATOM 0 HB3 ALA A 6 2.010 -8.449 -0.840 1.00 0.00 H new ATOM 97 N VAL A 7 0.843 -6.556 1.335 1.00 0.00 N ATOM 98 CA VAL A 7 0.756 -5.151 1.752 1.00 0.00 C ATOM 99 C VAL A 7 0.484 -5.072 3.272 1.00 0.00 C ATOM 100 O VAL A 7 1.188 -4.366 3.986 1.00 0.00 O ATOM 101 CB VAL A 7 -0.356 -4.354 0.966 1.00 0.00 C ATOM 102 CG1 VAL A 7 -0.455 -2.897 1.468 1.00 0.00 C ATOM 103 CG2 VAL A 7 -0.113 -4.371 -0.564 1.00 0.00 C ATOM 0 H VAL A 7 0.089 -6.849 0.714 1.00 0.00 H new ATOM 0 HA VAL A 7 1.713 -4.684 1.518 1.00 0.00 H new ATOM 0 HB VAL A 7 -1.301 -4.861 1.161 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -1.229 -2.371 0.909 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -0.708 -2.894 2.528 1.00 0.00 H new ATOM 0 HG13 VAL A 7 0.502 -2.396 1.322 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -0.903 -3.810 -1.064 1.00 0.00 H new ATOM 0 HG22 VAL A 7 0.852 -3.914 -0.784 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -0.117 -5.401 -0.922 1.00 0.00 H new ATOM 113 N ARG A 8 -0.516 -5.855 3.746 1.00 0.00 N ATOM 114 CA ARG A 8 -0.912 -5.879 5.175 1.00 0.00 C ATOM 115 C ARG A 8 0.192 -6.528 6.018 1.00 0.00 C ATOM 116 O ARG A 8 0.316 -6.225 7.199 1.00 0.00 O ATOM 117 CB ARG A 8 -2.271 -6.622 5.393 1.00 0.00 C ATOM 118 CG ARG A 8 -2.198 -8.160 5.327 1.00 0.00 C ATOM 119 CD ARG A 8 -3.560 -8.850 5.415 1.00 0.00 C ATOM 120 NE ARG A 8 -3.418 -10.317 5.513 1.00 0.00 N ATOM 121 CZ ARG A 8 -4.432 -11.201 5.509 1.00 0.00 C ATOM 122 NH1 ARG A 8 -5.687 -10.791 5.422 1.00 0.00 N ATOM 123 NH2 ARG A 8 -4.182 -12.494 5.597 1.00 0.00 N ATOM 0 H ARG A 8 -1.065 -6.481 3.156 1.00 0.00 H new ATOM 0 HA ARG A 8 -1.050 -4.847 5.496 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -2.671 -6.335 6.365 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -2.980 -6.276 4.641 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -1.714 -8.451 4.395 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -1.567 -8.519 6.140 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -4.103 -8.477 6.284 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -4.154 -8.599 4.536 1.00 0.00 H new ATOM 0 HE ARG A 8 -2.472 -10.691 5.590 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -5.895 -9.794 5.357 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -6.447 -11.471 5.420 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -3.219 -12.824 5.668 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -4.951 -13.164 5.594 1.00 0.00 H new ATOM 137 N ASN A 9 0.985 -7.419 5.384 1.00 0.00 N ATOM 138 CA ASN A 9 2.157 -8.050 6.007 1.00 0.00 C ATOM 139 C ASN A 9 3.175 -6.972 6.390 1.00 0.00 C ATOM 140 O ASN A 9 3.609 -6.887 7.547 1.00 0.00 O ATOM 141 CB ASN A 9 2.785 -9.067 5.021 1.00 0.00 C ATOM 142 CG ASN A 9 3.981 -9.852 5.563 1.00 0.00 C ATOM 143 OD1 ASN A 9 4.069 -10.158 6.750 1.00 0.00 O ATOM 144 ND2 ASN A 9 4.903 -10.202 4.681 1.00 0.00 N ATOM 0 H ASN A 9 0.825 -7.718 4.422 1.00 0.00 H new ATOM 0 HA ASN A 9 1.853 -8.581 6.909 1.00 0.00 H new ATOM 0 HB2 ASN A 9 2.015 -9.775 4.716 1.00 0.00 H new ATOM 0 HB3 ASN A 9 3.099 -8.532 4.125 1.00 0.00 H new ATOM 0 HD21 ASN A 9 5.716 -10.741 4.980 1.00 0.00 H new ATOM 0 HD22 ASN A 9 4.801 -9.933 3.703 1.00 0.00 H new ATOM 151 N ILE A 10 3.488 -6.128 5.393 1.00 0.00 N ATOM 152 CA ILE A 10 4.428 -5.014 5.532 1.00 0.00 C ATOM 153 C ILE A 10 3.922 -3.986 6.564 1.00 0.00 C ATOM 154 O ILE A 10 4.663 -3.595 7.454 1.00 0.00 O ATOM 155 CB ILE A 10 4.666 -4.317 4.140 1.00 0.00 C ATOM 156 CG1 ILE A 10 5.338 -5.315 3.139 1.00 0.00 C ATOM 157 CG2 ILE A 10 5.504 -3.025 4.290 1.00 0.00 C ATOM 158 CD1 ILE A 10 5.474 -4.800 1.718 1.00 0.00 C ATOM 0 H ILE A 10 3.088 -6.205 4.458 1.00 0.00 H new ATOM 0 HA ILE A 10 5.375 -5.417 5.890 1.00 0.00 H new ATOM 0 HB ILE A 10 3.696 -4.027 3.736 1.00 0.00 H new ATOM 0 HG12 ILE A 10 6.329 -5.571 3.514 1.00 0.00 H new ATOM 0 HG13 ILE A 10 4.756 -6.237 3.122 1.00 0.00 H new ATOM 0 HG21 ILE A 10 5.649 -2.570 3.310 1.00 0.00 H new ATOM 0 HG22 ILE A 10 4.980 -2.325 4.941 1.00 0.00 H new ATOM 0 HG23 ILE A 10 6.474 -3.269 4.724 1.00 0.00 H new ATOM 0 HD11 ILE A 10 5.950 -5.561 1.099 1.00 0.00 H new ATOM 0 HD12 ILE A 10 4.486 -4.573 1.317 1.00 0.00 H new ATOM 0 HD13 ILE A 10 6.083 -3.896 1.715 1.00 0.00 H new ATOM 170 N LEU A 11 2.648 -3.568 6.438 1.00 0.00 N ATOM 171 CA LEU A 11 2.044 -2.544 7.318 1.00 0.00 C ATOM 172 C LEU A 11 1.981 -3.035 8.775 1.00 0.00 C ATOM 173 O LEU A 11 2.339 -2.313 9.699 1.00 0.00 O ATOM 174 CB LEU A 11 0.624 -2.182 6.813 1.00 0.00 C ATOM 175 CG LEU A 11 0.541 -1.570 5.379 1.00 0.00 C ATOM 176 CD1 LEU A 11 -0.918 -1.492 4.902 1.00 0.00 C ATOM 177 CD2 LEU A 11 1.224 -0.184 5.308 1.00 0.00 C ATOM 0 H LEU A 11 2.010 -3.927 5.728 1.00 0.00 H new ATOM 0 HA LEU A 11 2.672 -1.654 7.288 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.011 -3.083 6.838 1.00 0.00 H new ATOM 0 HB3 LEU A 11 0.180 -1.475 7.514 1.00 0.00 H new ATOM 0 HG LEU A 11 1.085 -2.234 4.707 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -0.951 -1.062 3.901 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.348 -2.493 4.882 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -1.491 -0.865 5.585 1.00 0.00 H new ATOM 0 HD21 LEU A 11 1.145 0.209 4.294 1.00 0.00 H new ATOM 0 HD22 LEU A 11 0.733 0.499 6.001 1.00 0.00 H new ATOM 0 HD23 LEU A 11 2.275 -0.282 5.578 1.00 0.00 H new ATOM 189 N GLY A 12 1.528 -4.280 8.954 1.00 0.00 N ATOM 190 CA GLY A 12 1.450 -4.890 10.267 1.00 0.00 C ATOM 191 C GLY A 12 2.810 -5.208 10.868 1.00 0.00 C ATOM 192 O GLY A 12 2.902 -5.453 12.066 1.00 0.00 O ATOM 0 H GLY A 12 1.210 -4.881 8.194 1.00 0.00 H new ATOM 0 HA2 GLY A 12 0.912 -4.221 10.939 1.00 0.00 H new ATOM 0 HA3 GLY A 12 0.868 -5.809 10.198 1.00 0.00 H new ATOM 196 N ASP A 13 3.860 -5.262 10.026 1.00 0.00 N ATOM 197 CA ASP A 13 5.250 -5.426 10.497 1.00 0.00 C ATOM 198 C ASP A 13 5.821 -4.066 10.962 1.00 0.00 C ATOM 199 O ASP A 13 6.279 -3.940 12.100 1.00 0.00 O ATOM 200 CB ASP A 13 6.134 -6.037 9.376 1.00 0.00 C ATOM 201 CG ASP A 13 7.525 -6.467 9.876 1.00 0.00 C ATOM 202 OD1 ASP A 13 7.657 -7.591 10.402 1.00 0.00 O ATOM 203 OD2 ASP A 13 8.492 -5.689 9.748 1.00 0.00 O ATOM 0 H ASP A 13 3.772 -5.194 9.012 1.00 0.00 H new ATOM 0 HA ASP A 13 5.253 -6.110 11.345 1.00 0.00 H new ATOM 0 HB2 ASP A 13 5.624 -6.901 8.949 1.00 0.00 H new ATOM 0 HB3 ASP A 13 6.251 -5.307 8.575 1.00 0.00 H new ATOM 208 N VAL A 14 5.734 -3.054 10.073 1.00 0.00 N ATOM 209 CA VAL A 14 6.341 -1.717 10.275 1.00 0.00 C ATOM 210 C VAL A 14 5.645 -0.958 11.422 1.00 0.00 C ATOM 211 O VAL A 14 6.306 -0.448 12.331 1.00 0.00 O ATOM 212 CB VAL A 14 6.303 -0.862 8.942 1.00 0.00 C ATOM 213 CG1 VAL A 14 6.818 0.587 9.157 1.00 0.00 C ATOM 214 CG2 VAL A 14 7.105 -1.555 7.808 1.00 0.00 C ATOM 0 H VAL A 14 5.237 -3.141 9.187 1.00 0.00 H new ATOM 0 HA VAL A 14 7.384 -1.870 10.550 1.00 0.00 H new ATOM 0 HB VAL A 14 5.257 -0.798 8.643 1.00 0.00 H new ATOM 0 HG11 VAL A 14 6.772 1.133 8.215 1.00 0.00 H new ATOM 0 HG12 VAL A 14 6.195 1.089 9.897 1.00 0.00 H new ATOM 0 HG13 VAL A 14 7.849 0.558 9.510 1.00 0.00 H new ATOM 0 HG21 VAL A 14 7.061 -0.945 6.906 1.00 0.00 H new ATOM 0 HG22 VAL A 14 8.144 -1.672 8.116 1.00 0.00 H new ATOM 0 HG23 VAL A 14 6.674 -2.535 7.604 1.00 0.00 H new ATOM 224 N LEU A 15 4.302 -0.909 11.372 1.00 0.00 N ATOM 225 CA LEU A 15 3.483 -0.245 12.410 1.00 0.00 C ATOM 226 C LEU A 15 3.254 -1.175 13.617 1.00 0.00 C ATOM 227 O LEU A 15 2.679 -0.748 14.618 1.00 0.00 O ATOM 228 CB LEU A 15 2.122 0.252 11.838 1.00 0.00 C ATOM 229 CG LEU A 15 2.173 1.366 10.732 1.00 0.00 C ATOM 230 CD1 LEU A 15 3.241 2.426 11.048 1.00 0.00 C ATOM 231 CD2 LEU A 15 2.361 0.791 9.313 1.00 0.00 C ATOM 0 H LEU A 15 3.754 -1.324 10.618 1.00 0.00 H new ATOM 0 HA LEU A 15 4.041 0.628 12.750 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.594 -0.608 11.427 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.523 0.627 12.668 1.00 0.00 H new ATOM 0 HG LEU A 15 1.198 1.854 10.745 1.00 0.00 H new ATOM 0 HD11 LEU A 15 3.248 3.181 10.262 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.013 2.899 12.003 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.220 1.951 11.103 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.389 1.607 8.591 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.297 0.234 9.267 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.530 0.126 9.077 1.00 0.00 H new ATOM 243 N ASN A 16 3.678 -2.451 13.483 1.00 0.00 N ATOM 244 CA ASN A 16 3.689 -3.444 14.562 1.00 0.00 C ATOM 245 C ASN A 16 2.259 -3.734 15.087 1.00 0.00 C ATOM 246 O ASN A 16 1.883 -3.376 16.209 1.00 0.00 O ATOM 247 CB ASN A 16 4.708 -3.040 15.665 1.00 0.00 C ATOM 248 CG ASN A 16 4.884 -4.081 16.775 1.00 0.00 C ATOM 249 OD1 ASN A 16 5.737 -4.964 16.692 1.00 0.00 O ATOM 250 ND2 ASN A 16 4.070 -3.984 17.809 1.00 0.00 N ATOM 0 H ASN A 16 4.028 -2.820 12.599 1.00 0.00 H new ATOM 0 HA ASN A 16 4.038 -4.397 14.165 1.00 0.00 H new ATOM 0 HB2 ASN A 16 5.676 -2.856 15.199 1.00 0.00 H new ATOM 0 HB3 ASN A 16 4.387 -2.100 16.113 1.00 0.00 H new ATOM 0 HD21 ASN A 16 4.136 -4.655 18.575 1.00 0.00 H new ATOM 0 HD22 ASN A 16 3.375 -3.238 17.843 1.00 0.00 H new ATOM 257 N LEU A 17 1.440 -4.292 14.184 1.00 0.00 N ATOM 258 CA LEU A 17 0.105 -4.839 14.495 1.00 0.00 C ATOM 259 C LEU A 17 0.227 -6.326 14.903 1.00 0.00 C ATOM 260 O LEU A 17 -0.564 -6.812 15.712 1.00 0.00 O ATOM 261 CB LEU A 17 -0.854 -4.697 13.267 1.00 0.00 C ATOM 262 CG LEU A 17 -1.460 -3.275 12.991 1.00 0.00 C ATOM 263 CD1 LEU A 17 -0.378 -2.218 12.702 1.00 0.00 C ATOM 264 CD2 LEU A 17 -2.492 -3.328 11.838 1.00 0.00 C ATOM 0 H LEU A 17 1.688 -4.379 13.198 1.00 0.00 H new ATOM 0 HA LEU A 17 -0.315 -4.272 15.325 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -0.311 -5.012 12.376 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -1.680 -5.396 13.400 1.00 0.00 H new ATOM 0 HG LEU A 17 -1.970 -2.969 13.905 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.851 -1.254 12.518 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.290 -2.137 13.560 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.195 -2.514 11.823 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -2.897 -2.331 11.666 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.005 -3.683 10.930 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -3.301 -4.007 12.105 1.00 0.00 H new ATOM 276 N GLY A 18 1.228 -7.026 14.324 1.00 0.00 N ATOM 277 CA GLY A 18 1.457 -8.454 14.583 1.00 0.00 C ATOM 278 C GLY A 18 0.343 -9.360 14.052 1.00 0.00 C ATOM 279 O GLY A 18 0.303 -9.666 12.862 1.00 0.00 O ATOM 0 H GLY A 18 1.893 -6.615 13.669 1.00 0.00 H new ATOM 0 HA2 GLY A 18 2.402 -8.750 14.128 1.00 0.00 H new ATOM 0 HA3 GLY A 18 1.558 -8.608 15.657 1.00 0.00 H new ATOM 283 N GLU A 19 -0.560 -9.774 14.954 1.00 0.00 N ATOM 284 CA GLU A 19 -1.713 -10.643 14.633 1.00 0.00 C ATOM 285 C GLU A 19 -2.884 -9.808 14.056 1.00 0.00 C ATOM 286 O GLU A 19 -3.733 -10.329 13.315 1.00 0.00 O ATOM 287 CB GLU A 19 -2.137 -11.414 15.925 1.00 0.00 C ATOM 288 CG GLU A 19 -3.381 -12.332 15.813 1.00 0.00 C ATOM 289 CD GLU A 19 -3.249 -13.462 14.775 1.00 0.00 C ATOM 290 OE1 GLU A 19 -2.497 -14.420 15.021 1.00 0.00 O ATOM 291 OE2 GLU A 19 -3.905 -13.404 13.712 1.00 0.00 O ATOM 0 H GLU A 19 -0.514 -9.514 15.939 1.00 0.00 H new ATOM 0 HA GLU A 19 -1.431 -11.365 13.867 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -1.293 -12.023 16.250 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -2.324 -10.683 16.711 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -3.580 -12.774 16.789 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -4.246 -11.720 15.558 1.00 0.00 H new ATOM 298 N ARG A 20 -2.899 -8.496 14.374 1.00 0.00 N ATOM 299 CA ARG A 20 -3.999 -7.587 13.986 1.00 0.00 C ATOM 300 C ARG A 20 -4.039 -7.377 12.448 1.00 0.00 C ATOM 301 O ARG A 20 -5.118 -7.201 11.873 1.00 0.00 O ATOM 302 CB ARG A 20 -3.889 -6.234 14.770 1.00 0.00 C ATOM 303 CG ARG A 20 -5.239 -5.525 15.067 1.00 0.00 C ATOM 304 CD ARG A 20 -5.906 -4.868 13.847 1.00 0.00 C ATOM 305 NE ARG A 20 -7.311 -4.518 14.121 1.00 0.00 N ATOM 306 CZ ARG A 20 -8.064 -3.672 13.408 1.00 0.00 C ATOM 307 NH1 ARG A 20 -7.538 -2.941 12.424 1.00 0.00 N ATOM 308 NH2 ARG A 20 -9.351 -3.545 13.706 1.00 0.00 N ATOM 0 H ARG A 20 -2.155 -8.040 14.903 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.948 -8.049 14.260 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -3.381 -6.422 15.716 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -3.258 -5.553 14.199 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -5.930 -6.253 15.492 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -5.073 -4.762 15.827 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -5.354 -3.970 13.569 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -5.859 -5.547 12.996 1.00 0.00 H new ATOM 0 HE ARG A 20 -7.750 -4.961 14.928 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -6.545 -3.021 12.204 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -8.128 -2.302 11.892 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -9.754 -4.088 14.470 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -9.937 -2.904 13.171 1.00 0.00 H new ATOM 322 N LYS A 21 -2.872 -7.449 11.783 1.00 0.00 N ATOM 323 CA LYS A 21 -2.801 -7.313 10.308 1.00 0.00 C ATOM 324 C LYS A 21 -3.526 -8.480 9.600 1.00 0.00 C ATOM 325 O LYS A 21 -4.012 -8.330 8.486 1.00 0.00 O ATOM 326 CB LYS A 21 -1.349 -7.210 9.823 1.00 0.00 C ATOM 327 CG LYS A 21 -0.538 -8.492 9.999 1.00 0.00 C ATOM 328 CD LYS A 21 0.913 -8.358 9.529 1.00 0.00 C ATOM 329 CE LYS A 21 1.638 -9.686 9.560 1.00 0.00 C ATOM 330 NZ LYS A 21 3.068 -9.551 9.197 1.00 0.00 N ATOM 0 H LYS A 21 -1.970 -7.599 12.234 1.00 0.00 H new ATOM 0 HA LYS A 21 -3.311 -6.386 10.046 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.349 -6.935 8.768 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.854 -6.403 10.363 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.547 -8.778 11.051 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -1.020 -9.298 9.445 1.00 0.00 H new ATOM 0 HD2 LYS A 21 0.931 -7.957 8.515 1.00 0.00 H new ATOM 0 HD3 LYS A 21 1.436 -7.643 10.164 1.00 0.00 H new ATOM 0 HE2 LYS A 21 1.557 -10.119 10.557 1.00 0.00 H new ATOM 0 HE3 LYS A 21 1.154 -10.379 8.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 3.226 -9.956 8.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 3.331 -8.545 9.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 3.652 -10.058 9.893 1.00 0.00 H new ATOM 344 N HIS A 22 -3.606 -9.634 10.284 1.00 0.00 N ATOM 345 CA HIS A 22 -4.284 -10.830 9.769 1.00 0.00 C ATOM 346 C HIS A 22 -5.813 -10.710 9.948 1.00 0.00 C ATOM 347 O HIS A 22 -6.580 -11.194 9.108 1.00 0.00 O ATOM 348 CB HIS A 22 -3.732 -12.082 10.497 1.00 0.00 C ATOM 349 CG HIS A 22 -4.351 -13.394 10.083 1.00 0.00 C ATOM 350 ND1 HIS A 22 -4.917 -14.278 10.977 1.00 0.00 N ATOM 351 CD2 HIS A 22 -4.489 -13.967 8.863 1.00 0.00 C ATOM 352 CE1 HIS A 22 -5.364 -15.332 10.326 1.00 0.00 C ATOM 353 NE2 HIS A 22 -5.116 -15.168 9.041 1.00 0.00 N ATOM 0 H HIS A 22 -3.201 -9.761 11.211 1.00 0.00 H new ATOM 0 HA HIS A 22 -4.088 -10.926 8.701 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -2.657 -12.137 10.326 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -3.878 -11.952 11.569 1.00 0.00 H new ATOM 0 HD1 HIS A 22 -4.980 -14.138 11.985 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -4.163 -13.550 7.921 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -5.852 -16.187 10.770 1.00 0.00 H new ATOM 362 N THR A 23 -6.243 -10.047 11.042 1.00 0.00 N ATOM 363 CA THR A 23 -7.672 -9.977 11.419 1.00 0.00 C ATOM 364 C THR A 23 -8.427 -8.862 10.661 1.00 0.00 C ATOM 365 O THR A 23 -9.659 -8.799 10.725 1.00 0.00 O ATOM 366 CB THR A 23 -7.859 -9.814 12.977 1.00 0.00 C ATOM 367 OG1 THR A 23 -9.182 -10.221 13.382 1.00 0.00 O ATOM 368 CG2 THR A 23 -7.621 -8.376 13.472 1.00 0.00 C ATOM 0 H THR A 23 -5.621 -9.552 11.681 1.00 0.00 H new ATOM 0 HA THR A 23 -8.111 -10.929 11.122 1.00 0.00 H new ATOM 0 HB THR A 23 -7.104 -10.457 13.429 1.00 0.00 H new ATOM 0 HG1 THR A 23 -9.833 -9.932 12.709 1.00 0.00 H new ATOM 0 HG21 THR A 23 -7.766 -8.334 14.552 1.00 0.00 H new ATOM 0 HG22 THR A 23 -6.603 -8.072 13.230 1.00 0.00 H new ATOM 0 HG23 THR A 23 -8.326 -7.702 12.985 1.00 0.00 H new ATOM 376 N LEU A 24 -7.703 -8.001 9.918 1.00 0.00 N ATOM 377 CA LEU A 24 -8.325 -6.900 9.150 1.00 0.00 C ATOM 378 C LEU A 24 -8.544 -7.320 7.686 1.00 0.00 C ATOM 379 O LEU A 24 -8.008 -8.339 7.228 1.00 0.00 O ATOM 380 CB LEU A 24 -7.502 -5.571 9.280 1.00 0.00 C ATOM 381 CG LEU A 24 -5.963 -5.596 8.956 1.00 0.00 C ATOM 382 CD1 LEU A 24 -5.656 -5.733 7.447 1.00 0.00 C ATOM 383 CD2 LEU A 24 -5.263 -4.343 9.536 1.00 0.00 C ATOM 0 H LEU A 24 -6.688 -8.046 9.833 1.00 0.00 H new ATOM 0 HA LEU A 24 -9.306 -6.692 9.577 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -7.965 -4.832 8.626 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -7.618 -5.210 10.302 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.565 -6.490 9.436 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.577 -5.744 7.295 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -6.085 -6.662 7.071 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.090 -4.890 6.909 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -4.199 -4.379 9.301 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.701 -3.446 9.098 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.395 -4.320 10.618 1.00 0.00 H new ATOM 395 N THR A 25 -9.341 -6.522 6.966 1.00 0.00 N ATOM 396 CA THR A 25 -9.680 -6.752 5.553 1.00 0.00 C ATOM 397 C THR A 25 -9.112 -5.624 4.677 1.00 0.00 C ATOM 398 O THR A 25 -8.464 -4.712 5.185 1.00 0.00 O ATOM 399 CB THR A 25 -11.233 -6.823 5.381 1.00 0.00 C ATOM 400 OG1 THR A 25 -11.829 -5.603 5.856 1.00 0.00 O ATOM 401 CG2 THR A 25 -11.840 -8.025 6.130 1.00 0.00 C ATOM 0 H THR A 25 -9.776 -5.685 7.353 1.00 0.00 H new ATOM 0 HA THR A 25 -9.240 -7.698 5.239 1.00 0.00 H new ATOM 0 HB THR A 25 -11.445 -6.953 4.320 1.00 0.00 H new ATOM 0 HG1 THR A 25 -12.802 -5.649 5.746 1.00 0.00 H new ATOM 0 HG21 THR A 25 -12.920 -8.037 5.984 1.00 0.00 H new ATOM 0 HG22 THR A 25 -11.411 -8.949 5.743 1.00 0.00 H new ATOM 0 HG23 THR A 25 -11.618 -7.940 7.194 1.00 0.00 H new ATOM 409 N ALA A 26 -9.364 -5.688 3.352 1.00 0.00 N ATOM 410 CA ALA A 26 -8.993 -4.610 2.403 1.00 0.00 C ATOM 411 C ALA A 26 -9.744 -3.292 2.694 1.00 0.00 C ATOM 412 O ALA A 26 -9.369 -2.239 2.191 1.00 0.00 O ATOM 413 CB ALA A 26 -9.249 -5.059 0.957 1.00 0.00 C ATOM 0 H ALA A 26 -9.827 -6.482 2.910 1.00 0.00 H new ATOM 0 HA ALA A 26 -7.929 -4.415 2.537 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -8.972 -4.257 0.273 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -8.651 -5.944 0.740 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -10.306 -5.295 0.831 1.00 0.00 H new ATOM 419 N SER A 27 -10.813 -3.363 3.510 1.00 0.00 N ATOM 420 CA SER A 27 -11.611 -2.189 3.889 1.00 0.00 C ATOM 421 C SER A 27 -11.077 -1.531 5.192 1.00 0.00 C ATOM 422 O SER A 27 -11.699 -0.600 5.724 1.00 0.00 O ATOM 423 CB SER A 27 -13.097 -2.608 4.016 1.00 0.00 C ATOM 424 OG SER A 27 -13.956 -1.482 4.158 1.00 0.00 O ATOM 0 H SER A 27 -11.144 -4.235 3.922 1.00 0.00 H new ATOM 0 HA SER A 27 -11.526 -1.430 3.111 1.00 0.00 H new ATOM 0 HB2 SER A 27 -13.390 -3.179 3.135 1.00 0.00 H new ATOM 0 HB3 SER A 27 -13.216 -3.266 4.877 1.00 0.00 H new ATOM 0 HG SER A 27 -13.520 -0.806 4.718 1.00 0.00 H new ATOM 430 N SER A 28 -9.904 -1.990 5.683 1.00 0.00 N ATOM 431 CA SER A 28 -9.274 -1.428 6.892 1.00 0.00 C ATOM 432 C SER A 28 -8.557 -0.109 6.552 1.00 0.00 C ATOM 433 O SER A 28 -7.656 -0.084 5.704 1.00 0.00 O ATOM 434 CB SER A 28 -8.281 -2.429 7.519 1.00 0.00 C ATOM 435 OG SER A 28 -7.194 -2.718 6.650 1.00 0.00 O ATOM 0 H SER A 28 -9.375 -2.751 5.256 1.00 0.00 H new ATOM 0 HA SER A 28 -10.059 -1.229 7.622 1.00 0.00 H new ATOM 0 HB2 SER A 28 -7.898 -2.022 8.455 1.00 0.00 H new ATOM 0 HB3 SER A 28 -8.804 -3.353 7.764 1.00 0.00 H new ATOM 0 HG SER A 28 -7.458 -3.419 6.018 1.00 0.00 H new ATOM 441 N VAL A 29 -8.961 0.979 7.218 1.00 0.00 N ATOM 442 CA VAL A 29 -8.402 2.320 6.989 1.00 0.00 C ATOM 443 C VAL A 29 -6.994 2.395 7.608 1.00 0.00 C ATOM 444 O VAL A 29 -6.725 1.744 8.623 1.00 0.00 O ATOM 445 CB VAL A 29 -9.356 3.420 7.598 1.00 0.00 C ATOM 446 CG1 VAL A 29 -8.792 4.856 7.446 1.00 0.00 C ATOM 447 CG2 VAL A 29 -10.769 3.313 6.982 1.00 0.00 C ATOM 0 H VAL A 29 -9.687 0.956 7.934 1.00 0.00 H new ATOM 0 HA VAL A 29 -8.322 2.508 5.918 1.00 0.00 H new ATOM 0 HB VAL A 29 -9.421 3.226 8.669 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -9.491 5.569 7.883 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -7.833 4.926 7.959 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -8.655 5.083 6.389 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -11.413 4.079 7.414 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -10.707 3.456 5.903 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -11.185 2.328 7.194 1.00 0.00 H new ATOM 457 N LEU A 30 -6.078 3.147 6.981 1.00 0.00 N ATOM 458 CA LEU A 30 -4.714 3.311 7.508 1.00 0.00 C ATOM 459 C LEU A 30 -4.583 4.669 8.207 1.00 0.00 C ATOM 460 O LEU A 30 -4.456 4.723 9.435 1.00 0.00 O ATOM 461 CB LEU A 30 -3.661 3.146 6.390 1.00 0.00 C ATOM 462 CG LEU A 30 -3.697 1.801 5.596 1.00 0.00 C ATOM 463 CD1 LEU A 30 -2.512 1.734 4.616 1.00 0.00 C ATOM 464 CD2 LEU A 30 -3.716 0.565 6.540 1.00 0.00 C ATOM 0 H LEU A 30 -6.255 3.650 6.111 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.526 2.528 8.242 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.784 3.965 5.681 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.671 3.255 6.834 1.00 0.00 H new ATOM 0 HG LEU A 30 -4.626 1.774 5.027 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.546 0.793 4.068 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -2.573 2.566 3.914 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.576 1.796 5.172 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -3.741 -0.347 5.944 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -2.821 0.568 7.162 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -4.600 0.607 7.177 1.00 0.00 H new ATOM 476 N LEU A 31 -4.604 5.760 7.411 1.00 0.00 N ATOM 477 CA LEU A 31 -4.525 7.133 7.933 1.00 0.00 C ATOM 478 C LEU A 31 -5.666 7.423 8.926 1.00 0.00 C ATOM 479 O LEU A 31 -6.843 7.388 8.558 1.00 0.00 O ATOM 480 CB LEU A 31 -4.562 8.154 6.771 1.00 0.00 C ATOM 481 CG LEU A 31 -3.353 8.119 5.787 1.00 0.00 C ATOM 482 CD1 LEU A 31 -3.537 9.145 4.661 1.00 0.00 C ATOM 483 CD2 LEU A 31 -2.007 8.347 6.517 1.00 0.00 C ATOM 0 H LEU A 31 -4.676 5.710 6.395 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.579 7.231 8.466 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.475 7.989 6.199 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.629 9.155 7.196 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.322 7.122 5.348 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.682 9.103 3.987 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.448 8.917 4.107 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.613 10.145 5.089 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.191 8.315 5.795 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.019 9.320 7.007 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.861 7.566 7.264 1.00 0.00 H new ATOM 495 N GLY A 32 -5.285 7.655 10.190 1.00 0.00 N ATOM 496 CA GLY A 32 -6.216 8.035 11.247 1.00 0.00 C ATOM 497 C GLY A 32 -6.704 6.851 12.067 1.00 0.00 C ATOM 498 O GLY A 32 -6.878 6.967 13.286 1.00 0.00 O ATOM 0 H GLY A 32 -4.317 7.582 10.503 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -5.731 8.753 11.909 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -7.074 8.540 10.803 1.00 0.00 H new ATOM 502 N ASN A 33 -6.937 5.712 11.390 1.00 0.00 N ATOM 503 CA ASN A 33 -7.430 4.484 12.036 1.00 0.00 C ATOM 504 C ASN A 33 -6.293 3.807 12.805 1.00 0.00 C ATOM 505 O ASN A 33 -6.437 3.507 13.988 1.00 0.00 O ATOM 506 CB ASN A 33 -8.029 3.519 10.988 1.00 0.00 C ATOM 507 CG ASN A 33 -8.583 2.210 11.574 1.00 0.00 C ATOM 508 OD1 ASN A 33 -9.078 2.167 12.700 1.00 0.00 O ATOM 509 ND2 ASN A 33 -8.510 1.131 10.805 1.00 0.00 N ATOM 0 H ASN A 33 -6.790 5.618 10.385 1.00 0.00 H new ATOM 0 HA ASN A 33 -8.219 4.750 12.739 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -8.830 4.032 10.455 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -7.261 3.278 10.253 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -8.869 0.238 11.143 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -8.095 1.194 9.876 1.00 0.00 H new ATOM 516 N ILE A 34 -5.158 3.584 12.116 1.00 0.00 N ATOM 517 CA ILE A 34 -3.959 3.025 12.742 1.00 0.00 C ATOM 518 C ILE A 34 -3.252 4.162 13.505 1.00 0.00 C ATOM 519 O ILE A 34 -2.721 5.085 12.872 1.00 0.00 O ATOM 520 CB ILE A 34 -2.950 2.392 11.703 1.00 0.00 C ATOM 521 CG1 ILE A 34 -3.683 1.492 10.646 1.00 0.00 C ATOM 522 CG2 ILE A 34 -1.842 1.595 12.435 1.00 0.00 C ATOM 523 CD1 ILE A 34 -4.475 0.314 11.209 1.00 0.00 C ATOM 0 H ILE A 34 -5.053 3.786 11.122 1.00 0.00 H new ATOM 0 HA ILE A 34 -4.271 2.217 13.404 1.00 0.00 H new ATOM 0 HB ILE A 34 -2.484 3.213 11.158 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.363 2.121 10.071 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.940 1.105 9.949 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.157 1.167 11.703 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -1.292 2.262 13.099 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.295 0.794 13.019 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.939 -0.237 10.391 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.804 -0.347 11.757 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.249 0.684 11.881 1.00 0.00 H new ATOM 535 N PRO A 35 -3.216 4.112 14.873 1.00 0.00 N ATOM 536 CA PRO A 35 -2.611 5.180 15.697 1.00 0.00 C ATOM 537 C PRO A 35 -1.075 5.061 15.765 1.00 0.00 C ATOM 538 O PRO A 35 -0.408 5.848 16.446 1.00 0.00 O ATOM 539 CB PRO A 35 -3.287 4.960 17.068 1.00 0.00 C ATOM 540 CG PRO A 35 -3.517 3.477 17.148 1.00 0.00 C ATOM 541 CD PRO A 35 -3.729 2.995 15.721 1.00 0.00 C ATOM 0 HA PRO A 35 -2.770 6.182 15.299 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -2.651 5.306 17.883 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -4.225 5.510 17.140 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -2.663 2.976 17.604 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -4.386 3.252 17.767 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -3.187 2.069 15.529 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -4.782 2.795 15.521 1.00 0.00 H new ATOM 549 N GLU A 36 -0.531 4.061 15.045 1.00 0.00 N ATOM 550 CA GLU A 36 0.911 3.820 14.944 1.00 0.00 C ATOM 551 C GLU A 36 1.452 4.454 13.656 1.00 0.00 C ATOM 552 O GLU A 36 2.659 4.698 13.532 1.00 0.00 O ATOM 553 CB GLU A 36 1.191 2.293 14.956 1.00 0.00 C ATOM 554 CG GLU A 36 0.469 1.504 16.074 1.00 0.00 C ATOM 555 CD GLU A 36 0.699 2.080 17.483 1.00 0.00 C ATOM 556 OE1 GLU A 36 1.844 2.033 17.969 1.00 0.00 O ATOM 557 OE2 GLU A 36 -0.264 2.558 18.116 1.00 0.00 O ATOM 0 H GLU A 36 -1.091 3.394 14.514 1.00 0.00 H new ATOM 0 HA GLU A 36 1.415 4.274 15.797 1.00 0.00 H new ATOM 0 HB2 GLU A 36 0.898 1.878 13.992 1.00 0.00 H new ATOM 0 HB3 GLU A 36 2.265 2.137 15.057 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -0.601 1.492 15.866 1.00 0.00 H new ATOM 0 HG3 GLU A 36 0.809 0.469 16.054 1.00 0.00 H new ATOM 564 N LEU A 37 0.541 4.727 12.695 1.00 0.00 N ATOM 565 CA LEU A 37 0.914 5.277 11.392 1.00 0.00 C ATOM 566 C LEU A 37 1.130 6.792 11.520 1.00 0.00 C ATOM 567 O LEU A 37 0.169 7.566 11.563 1.00 0.00 O ATOM 568 CB LEU A 37 -0.154 4.941 10.315 1.00 0.00 C ATOM 569 CG LEU A 37 0.184 5.393 8.854 1.00 0.00 C ATOM 570 CD1 LEU A 37 1.462 4.705 8.312 1.00 0.00 C ATOM 571 CD2 LEU A 37 -1.012 5.147 7.916 1.00 0.00 C ATOM 0 H LEU A 37 -0.461 4.571 12.808 1.00 0.00 H new ATOM 0 HA LEU A 37 1.847 4.818 11.065 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.314 3.863 10.313 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.097 5.403 10.609 1.00 0.00 H new ATOM 0 HG LEU A 37 0.385 6.464 8.885 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.657 5.049 7.296 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.309 4.957 8.950 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.320 3.624 8.308 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -0.755 5.468 6.907 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.255 4.085 7.908 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -1.874 5.714 8.269 1.00 0.00 H new ATOM 583 N ASP A 38 2.401 7.179 11.680 1.00 0.00 N ATOM 584 CA ASP A 38 2.861 8.578 11.672 1.00 0.00 C ATOM 585 C ASP A 38 3.246 8.990 10.231 1.00 0.00 C ATOM 586 O ASP A 38 3.217 8.155 9.318 1.00 0.00 O ATOM 587 CB ASP A 38 4.072 8.677 12.651 1.00 0.00 C ATOM 588 CG ASP A 38 4.691 10.080 12.774 1.00 0.00 C ATOM 589 OD1 ASP A 38 4.082 10.955 13.419 1.00 0.00 O ATOM 590 OD2 ASP A 38 5.775 10.319 12.201 1.00 0.00 O ATOM 0 H ASP A 38 3.160 6.513 11.823 1.00 0.00 H new ATOM 0 HA ASP A 38 2.077 9.260 12.000 1.00 0.00 H new ATOM 0 HB2 ASP A 38 3.749 8.350 13.639 1.00 0.00 H new ATOM 0 HB3 ASP A 38 4.845 7.982 12.322 1.00 0.00 H new ATOM 595 N SER A 39 3.566 10.277 10.033 1.00 0.00 N ATOM 596 CA SER A 39 4.070 10.802 8.752 1.00 0.00 C ATOM 597 C SER A 39 5.384 10.088 8.334 1.00 0.00 C ATOM 598 O SER A 39 5.516 9.603 7.213 1.00 0.00 O ATOM 599 CB SER A 39 4.294 12.321 8.869 1.00 0.00 C ATOM 600 OG SER A 39 5.379 12.619 9.768 1.00 0.00 O ATOM 0 H SER A 39 3.483 10.988 10.760 1.00 0.00 H new ATOM 0 HA SER A 39 3.327 10.607 7.979 1.00 0.00 H new ATOM 0 HB2 SER A 39 4.509 12.737 7.885 1.00 0.00 H new ATOM 0 HB3 SER A 39 3.382 12.800 9.225 1.00 0.00 H new ATOM 0 HG SER A 39 5.501 13.590 9.823 1.00 0.00 H new ATOM 605 N MET A 40 6.343 9.996 9.261 1.00 0.00 N ATOM 606 CA MET A 40 7.608 9.270 9.017 1.00 0.00 C ATOM 607 C MET A 40 7.334 7.787 8.707 1.00 0.00 C ATOM 608 O MET A 40 8.063 7.158 7.942 1.00 0.00 O ATOM 609 CB MET A 40 8.556 9.395 10.220 1.00 0.00 C ATOM 610 CG MET A 40 9.034 10.824 10.499 1.00 0.00 C ATOM 611 SD MET A 40 9.960 11.524 9.118 1.00 0.00 S ATOM 612 CE MET A 40 10.553 13.068 9.815 1.00 0.00 C ATOM 0 H MET A 40 6.274 10.413 10.189 1.00 0.00 H new ATOM 0 HA MET A 40 8.091 9.723 8.151 1.00 0.00 H new ATOM 0 HB2 MET A 40 8.051 9.013 11.107 1.00 0.00 H new ATOM 0 HB3 MET A 40 9.425 8.760 10.050 1.00 0.00 H new ATOM 0 HG2 MET A 40 8.173 11.457 10.713 1.00 0.00 H new ATOM 0 HG3 MET A 40 9.660 10.827 11.391 1.00 0.00 H new ATOM 0 HE1 MET A 40 11.141 13.602 9.068 1.00 0.00 H new ATOM 0 HE2 MET A 40 9.704 13.682 10.115 1.00 0.00 H new ATOM 0 HE3 MET A 40 11.175 12.859 10.685 1.00 0.00 H new ATOM 622 N ALA A 41 6.257 7.260 9.303 1.00 0.00 N ATOM 623 CA ALA A 41 5.807 5.889 9.065 1.00 0.00 C ATOM 624 C ALA A 41 5.238 5.697 7.645 1.00 0.00 C ATOM 625 O ALA A 41 5.322 4.586 7.120 1.00 0.00 O ATOM 626 CB ALA A 41 4.793 5.475 10.122 1.00 0.00 C ATOM 0 H ALA A 41 5.675 7.775 9.964 1.00 0.00 H new ATOM 0 HA ALA A 41 6.680 5.240 9.142 1.00 0.00 H new ATOM 0 HB1 ALA A 41 4.467 4.452 9.932 1.00 0.00 H new ATOM 0 HB2 ALA A 41 5.252 5.532 11.109 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.933 6.143 10.083 1.00 0.00 H new ATOM 632 N VAL A 42 4.654 6.772 7.023 1.00 0.00 N ATOM 633 CA VAL A 42 4.221 6.706 5.599 1.00 0.00 C ATOM 634 C VAL A 42 5.462 6.497 4.708 1.00 0.00 C ATOM 635 O VAL A 42 5.423 5.742 3.739 1.00 0.00 O ATOM 636 CB VAL A 42 3.384 7.968 5.073 1.00 0.00 C ATOM 637 CG1 VAL A 42 2.350 8.464 6.105 1.00 0.00 C ATOM 638 CG2 VAL A 42 4.269 9.149 4.567 1.00 0.00 C ATOM 0 H VAL A 42 4.479 7.668 7.477 1.00 0.00 H new ATOM 0 HA VAL A 42 3.529 5.866 5.539 1.00 0.00 H new ATOM 0 HB VAL A 42 2.843 7.592 4.205 1.00 0.00 H new ATOM 0 HG11 VAL A 42 1.811 9.320 5.698 1.00 0.00 H new ATOM 0 HG12 VAL A 42 1.645 7.663 6.327 1.00 0.00 H new ATOM 0 HG13 VAL A 42 2.863 8.760 7.020 1.00 0.00 H new ATOM 0 HG21 VAL A 42 3.629 9.964 4.228 1.00 0.00 H new ATOM 0 HG22 VAL A 42 4.905 9.501 5.379 1.00 0.00 H new ATOM 0 HG23 VAL A 42 4.892 8.809 3.740 1.00 0.00 H new ATOM 648 N VAL A 43 6.576 7.146 5.099 1.00 0.00 N ATOM 649 CA VAL A 43 7.856 7.057 4.351 1.00 0.00 C ATOM 650 C VAL A 43 8.422 5.635 4.439 1.00 0.00 C ATOM 651 O VAL A 43 8.823 5.046 3.436 1.00 0.00 O ATOM 652 CB VAL A 43 8.919 8.062 4.907 1.00 0.00 C ATOM 653 CG1 VAL A 43 10.136 8.214 3.962 1.00 0.00 C ATOM 654 CG2 VAL A 43 8.267 9.415 5.209 1.00 0.00 C ATOM 0 H VAL A 43 6.620 7.739 5.928 1.00 0.00 H new ATOM 0 HA VAL A 43 7.645 7.312 3.313 1.00 0.00 H new ATOM 0 HB VAL A 43 9.306 7.651 5.839 1.00 0.00 H new ATOM 0 HG11 VAL A 43 10.845 8.922 4.392 1.00 0.00 H new ATOM 0 HG12 VAL A 43 10.621 7.246 3.835 1.00 0.00 H new ATOM 0 HG13 VAL A 43 9.800 8.581 2.992 1.00 0.00 H new ATOM 0 HG21 VAL A 43 9.019 10.103 5.595 1.00 0.00 H new ATOM 0 HG22 VAL A 43 7.836 9.823 4.295 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.481 9.282 5.952 1.00 0.00 H new ATOM 664 N ASN A 44 8.428 5.126 5.678 1.00 0.00 N ATOM 665 CA ASN A 44 8.941 3.797 6.029 1.00 0.00 C ATOM 666 C ASN A 44 8.215 2.673 5.265 1.00 0.00 C ATOM 667 O ASN A 44 8.859 1.733 4.777 1.00 0.00 O ATOM 668 CB ASN A 44 8.816 3.592 7.566 1.00 0.00 C ATOM 669 CG ASN A 44 9.845 4.386 8.383 1.00 0.00 C ATOM 670 OD1 ASN A 44 10.330 5.432 7.958 1.00 0.00 O ATOM 671 ND2 ASN A 44 10.178 3.901 9.570 1.00 0.00 N ATOM 0 H ASN A 44 8.068 5.640 6.482 1.00 0.00 H new ATOM 0 HA ASN A 44 9.989 3.745 5.735 1.00 0.00 H new ATOM 0 HB2 ASN A 44 7.814 3.882 7.881 1.00 0.00 H new ATOM 0 HB3 ASN A 44 8.927 2.531 7.792 1.00 0.00 H new ATOM 0 HD21 ASN A 44 10.851 4.398 10.153 1.00 0.00 H new ATOM 0 HD22 ASN A 44 9.761 3.031 9.900 1.00 0.00 H new ATOM 678 N VAL A 45 6.877 2.774 5.157 1.00 0.00 N ATOM 679 CA VAL A 45 6.070 1.747 4.475 1.00 0.00 C ATOM 680 C VAL A 45 6.200 1.846 2.947 1.00 0.00 C ATOM 681 O VAL A 45 6.114 0.817 2.280 1.00 0.00 O ATOM 682 CB VAL A 45 4.563 1.767 4.900 1.00 0.00 C ATOM 683 CG1 VAL A 45 4.412 1.405 6.392 1.00 0.00 C ATOM 684 CG2 VAL A 45 3.898 3.120 4.596 1.00 0.00 C ATOM 0 H VAL A 45 6.335 3.553 5.532 1.00 0.00 H new ATOM 0 HA VAL A 45 6.478 0.789 4.797 1.00 0.00 H new ATOM 0 HB VAL A 45 4.047 1.013 4.306 1.00 0.00 H new ATOM 0 HG11 VAL A 45 3.357 1.425 6.666 1.00 0.00 H new ATOM 0 HG12 VAL A 45 4.814 0.407 6.567 1.00 0.00 H new ATOM 0 HG13 VAL A 45 4.958 2.127 6.999 1.00 0.00 H new ATOM 0 HG21 VAL A 45 2.854 3.090 4.907 1.00 0.00 H new ATOM 0 HG22 VAL A 45 4.416 3.910 5.140 1.00 0.00 H new ATOM 0 HG23 VAL A 45 3.953 3.320 3.526 1.00 0.00 H new ATOM 694 N ILE A 46 6.414 3.073 2.399 1.00 0.00 N ATOM 695 CA ILE A 46 6.718 3.234 0.956 1.00 0.00 C ATOM 696 C ILE A 46 8.001 2.458 0.644 1.00 0.00 C ATOM 697 O ILE A 46 7.988 1.562 -0.189 1.00 0.00 O ATOM 698 CB ILE A 46 6.881 4.742 0.513 1.00 0.00 C ATOM 699 CG1 ILE A 46 5.531 5.500 0.664 1.00 0.00 C ATOM 700 CG2 ILE A 46 7.418 4.873 -0.946 1.00 0.00 C ATOM 701 CD1 ILE A 46 5.619 7.007 0.466 1.00 0.00 C ATOM 0 H ILE A 46 6.382 3.947 2.925 1.00 0.00 H new ATOM 0 HA ILE A 46 5.870 2.843 0.393 1.00 0.00 H new ATOM 0 HB ILE A 46 7.622 5.195 1.172 1.00 0.00 H new ATOM 0 HG12 ILE A 46 4.820 5.094 -0.056 1.00 0.00 H new ATOM 0 HG13 ILE A 46 5.128 5.301 1.657 1.00 0.00 H new ATOM 0 HG21 ILE A 46 7.513 5.927 -1.205 1.00 0.00 H new ATOM 0 HG22 ILE A 46 8.393 4.392 -1.019 1.00 0.00 H new ATOM 0 HG23 ILE A 46 6.723 4.392 -1.634 1.00 0.00 H new ATOM 0 HD11 ILE A 46 4.630 7.449 0.590 1.00 0.00 H new ATOM 0 HD12 ILE A 46 6.301 7.432 1.202 1.00 0.00 H new ATOM 0 HD13 ILE A 46 5.989 7.221 -0.537 1.00 0.00 H new ATOM 713 N THR A 47 9.064 2.777 1.412 1.00 0.00 N ATOM 714 CA THR A 47 10.398 2.169 1.286 1.00 0.00 C ATOM 715 C THR A 47 10.304 0.631 1.302 1.00 0.00 C ATOM 716 O THR A 47 10.826 -0.036 0.414 1.00 0.00 O ATOM 717 CB THR A 47 11.336 2.649 2.448 1.00 0.00 C ATOM 718 OG1 THR A 47 11.358 4.085 2.484 1.00 0.00 O ATOM 719 CG2 THR A 47 12.782 2.118 2.307 1.00 0.00 C ATOM 0 H THR A 47 9.014 3.479 2.151 1.00 0.00 H new ATOM 0 HA THR A 47 10.819 2.487 0.332 1.00 0.00 H new ATOM 0 HB THR A 47 10.931 2.246 3.376 1.00 0.00 H new ATOM 0 HG1 THR A 47 10.539 4.414 2.910 1.00 0.00 H new ATOM 0 HG21 THR A 47 13.386 2.482 3.138 1.00 0.00 H new ATOM 0 HG22 THR A 47 12.772 1.028 2.316 1.00 0.00 H new ATOM 0 HG23 THR A 47 13.209 2.469 1.368 1.00 0.00 H new ATOM 727 N ALA A 48 9.568 0.111 2.300 1.00 0.00 N ATOM 728 CA ALA A 48 9.365 -1.334 2.502 1.00 0.00 C ATOM 729 C ALA A 48 8.643 -1.991 1.303 1.00 0.00 C ATOM 730 O ALA A 48 9.061 -3.055 0.848 1.00 0.00 O ATOM 731 CB ALA A 48 8.612 -1.567 3.817 1.00 0.00 C ATOM 0 H ALA A 48 9.093 0.687 2.995 1.00 0.00 H new ATOM 0 HA ALA A 48 10.341 -1.815 2.567 1.00 0.00 H new ATOM 0 HB1 ALA A 48 8.462 -2.636 3.966 1.00 0.00 H new ATOM 0 HB2 ALA A 48 9.194 -1.163 4.646 1.00 0.00 H new ATOM 0 HB3 ALA A 48 7.644 -1.067 3.776 1.00 0.00 H new ATOM 737 N LEU A 49 7.585 -1.332 0.781 1.00 0.00 N ATOM 738 CA LEU A 49 6.866 -1.785 -0.445 1.00 0.00 C ATOM 739 C LEU A 49 7.859 -1.935 -1.628 1.00 0.00 C ATOM 740 O LEU A 49 7.889 -2.977 -2.297 1.00 0.00 O ATOM 741 CB LEU A 49 5.693 -0.796 -0.812 1.00 0.00 C ATOM 742 CG LEU A 49 4.242 -1.185 -0.349 1.00 0.00 C ATOM 743 CD1 LEU A 49 3.762 -2.477 -1.034 1.00 0.00 C ATOM 744 CD2 LEU A 49 4.126 -1.296 1.183 1.00 0.00 C ATOM 0 H LEU A 49 7.203 -0.478 1.188 1.00 0.00 H new ATOM 0 HA LEU A 49 6.423 -2.760 -0.243 1.00 0.00 H new ATOM 0 HB2 LEU A 49 5.931 0.180 -0.388 1.00 0.00 H new ATOM 0 HB3 LEU A 49 5.680 -0.678 -1.895 1.00 0.00 H new ATOM 0 HG LEU A 49 3.586 -0.372 -0.661 1.00 0.00 H new ATOM 0 HD11 LEU A 49 2.755 -2.718 -0.692 1.00 0.00 H new ATOM 0 HD12 LEU A 49 3.754 -2.334 -2.115 1.00 0.00 H new ATOM 0 HD13 LEU A 49 4.437 -3.295 -0.781 1.00 0.00 H new ATOM 0 HD21 LEU A 49 3.105 -1.567 1.452 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.812 -2.062 1.545 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.379 -0.338 1.637 1.00 0.00 H new ATOM 756 N GLU A 50 8.697 -0.895 -1.820 1.00 0.00 N ATOM 757 CA GLU A 50 9.707 -0.835 -2.900 1.00 0.00 C ATOM 758 C GLU A 50 10.706 -2.002 -2.795 1.00 0.00 C ATOM 759 O GLU A 50 11.042 -2.622 -3.801 1.00 0.00 O ATOM 760 CB GLU A 50 10.488 0.515 -2.855 1.00 0.00 C ATOM 761 CG GLU A 50 9.624 1.798 -2.769 1.00 0.00 C ATOM 762 CD GLU A 50 8.820 2.145 -4.030 1.00 0.00 C ATOM 763 OE1 GLU A 50 7.927 1.364 -4.424 1.00 0.00 O ATOM 764 OE2 GLU A 50 9.066 3.224 -4.627 1.00 0.00 O ATOM 0 H GLU A 50 8.692 -0.066 -1.226 1.00 0.00 H new ATOM 0 HA GLU A 50 9.172 -0.911 -3.847 1.00 0.00 H new ATOM 0 HB2 GLU A 50 11.159 0.495 -1.996 1.00 0.00 H new ATOM 0 HB3 GLU A 50 11.112 0.580 -3.746 1.00 0.00 H new ATOM 0 HG2 GLU A 50 8.930 1.691 -1.936 1.00 0.00 H new ATOM 0 HG3 GLU A 50 10.277 2.639 -2.534 1.00 0.00 H new ATOM 771 N GLU A 51 11.164 -2.276 -1.559 1.00 0.00 N ATOM 772 CA GLU A 51 12.163 -3.319 -1.273 1.00 0.00 C ATOM 773 C GLU A 51 11.608 -4.722 -1.593 1.00 0.00 C ATOM 774 O GLU A 51 12.158 -5.440 -2.438 1.00 0.00 O ATOM 775 CB GLU A 51 12.607 -3.250 0.215 1.00 0.00 C ATOM 776 CG GLU A 51 13.296 -1.936 0.638 1.00 0.00 C ATOM 777 CD GLU A 51 14.619 -1.668 -0.096 1.00 0.00 C ATOM 778 OE1 GLU A 51 15.636 -2.319 0.244 1.00 0.00 O ATOM 779 OE2 GLU A 51 14.659 -0.801 -0.997 1.00 0.00 O ATOM 0 H GLU A 51 10.849 -1.776 -0.727 1.00 0.00 H new ATOM 0 HA GLU A 51 13.028 -3.139 -1.911 1.00 0.00 H new ATOM 0 HB2 GLU A 51 11.731 -3.401 0.846 1.00 0.00 H new ATOM 0 HB3 GLU A 51 13.288 -4.078 0.412 1.00 0.00 H new ATOM 0 HG2 GLU A 51 12.615 -1.104 0.456 1.00 0.00 H new ATOM 0 HG3 GLU A 51 13.485 -1.965 1.711 1.00 0.00 H new ATOM 786 N TYR A 52 10.496 -5.083 -0.922 1.00 0.00 N ATOM 787 CA TYR A 52 9.923 -6.445 -0.963 1.00 0.00 C ATOM 788 C TYR A 52 9.363 -6.802 -2.354 1.00 0.00 C ATOM 789 O TYR A 52 9.615 -7.899 -2.863 1.00 0.00 O ATOM 790 CB TYR A 52 8.837 -6.609 0.133 1.00 0.00 C ATOM 791 CG TYR A 52 9.376 -6.505 1.575 1.00 0.00 C ATOM 792 CD1 TYR A 52 10.361 -7.380 2.043 1.00 0.00 C ATOM 793 CD2 TYR A 52 8.900 -5.546 2.466 1.00 0.00 C ATOM 794 CE1 TYR A 52 10.832 -7.297 3.341 1.00 0.00 C ATOM 795 CE2 TYR A 52 9.372 -5.458 3.756 1.00 0.00 C ATOM 796 CZ TYR A 52 10.335 -6.332 4.190 1.00 0.00 C ATOM 797 OH TYR A 52 10.794 -6.250 5.483 1.00 0.00 O ATOM 0 H TYR A 52 9.968 -4.437 -0.335 1.00 0.00 H new ATOM 0 HA TYR A 52 10.733 -7.146 -0.761 1.00 0.00 H new ATOM 0 HB2 TYR A 52 8.071 -5.847 -0.013 1.00 0.00 H new ATOM 0 HB3 TYR A 52 8.352 -7.577 0.007 1.00 0.00 H new ATOM 0 HD1 TYR A 52 10.761 -8.133 1.380 1.00 0.00 H new ATOM 0 HD2 TYR A 52 8.140 -4.853 2.136 1.00 0.00 H new ATOM 0 HE1 TYR A 52 11.587 -7.987 3.688 1.00 0.00 H new ATOM 0 HE2 TYR A 52 8.985 -4.703 4.424 1.00 0.00 H new ATOM 0 HH TYR A 52 10.341 -5.514 5.945 1.00 0.00 H new ATOM 807 N PHE A 53 8.619 -5.871 -2.969 1.00 0.00 N ATOM 808 CA PHE A 53 8.016 -6.090 -4.302 1.00 0.00 C ATOM 809 C PHE A 53 9.037 -5.814 -5.434 1.00 0.00 C ATOM 810 O PHE A 53 8.841 -6.288 -6.554 1.00 0.00 O ATOM 811 CB PHE A 53 6.754 -5.213 -4.497 1.00 0.00 C ATOM 812 CG PHE A 53 5.513 -5.582 -3.670 1.00 0.00 C ATOM 813 CD1 PHE A 53 5.562 -5.670 -2.277 1.00 0.00 C ATOM 814 CD2 PHE A 53 4.287 -5.828 -4.293 1.00 0.00 C ATOM 815 CE1 PHE A 53 4.430 -5.986 -1.546 1.00 0.00 C ATOM 816 CE2 PHE A 53 3.160 -6.136 -3.561 1.00 0.00 C ATOM 817 CZ PHE A 53 3.231 -6.220 -2.188 1.00 0.00 C ATOM 0 H PHE A 53 8.417 -4.955 -2.567 1.00 0.00 H new ATOM 0 HA PHE A 53 7.720 -7.138 -4.354 1.00 0.00 H new ATOM 0 HB2 PHE A 53 7.020 -4.181 -4.267 1.00 0.00 H new ATOM 0 HB3 PHE A 53 6.480 -5.244 -5.551 1.00 0.00 H new ATOM 0 HD1 PHE A 53 6.495 -5.489 -1.764 1.00 0.00 H new ATOM 0 HD2 PHE A 53 4.221 -5.776 -5.370 1.00 0.00 H new ATOM 0 HE1 PHE A 53 4.485 -6.050 -0.469 1.00 0.00 H new ATOM 0 HE2 PHE A 53 2.221 -6.312 -4.065 1.00 0.00 H new ATOM 0 HZ PHE A 53 2.350 -6.469 -1.615 1.00 0.00 H new ATOM 827 N ASP A 54 10.104 -5.029 -5.132 1.00 0.00 N ATOM 828 CA ASP A 54 11.186 -4.682 -6.091 1.00 0.00 C ATOM 829 C ASP A 54 10.625 -3.844 -7.266 1.00 0.00 C ATOM 830 O ASP A 54 10.559 -4.298 -8.415 1.00 0.00 O ATOM 831 CB ASP A 54 11.962 -5.948 -6.578 1.00 0.00 C ATOM 832 CG ASP A 54 13.154 -5.623 -7.498 1.00 0.00 C ATOM 833 OD1 ASP A 54 14.170 -5.103 -7.001 1.00 0.00 O ATOM 834 OD2 ASP A 54 13.084 -5.879 -8.722 1.00 0.00 O ATOM 0 H ASP A 54 10.238 -4.616 -4.209 1.00 0.00 H new ATOM 0 HA ASP A 54 11.916 -4.064 -5.568 1.00 0.00 H new ATOM 0 HB2 ASP A 54 12.323 -6.499 -5.710 1.00 0.00 H new ATOM 0 HB3 ASP A 54 11.273 -6.605 -7.108 1.00 0.00 H new ATOM 839 N PHE A 55 10.134 -2.644 -6.934 1.00 0.00 N ATOM 840 CA PHE A 55 9.584 -1.691 -7.926 1.00 0.00 C ATOM 841 C PHE A 55 9.690 -0.254 -7.380 1.00 0.00 C ATOM 842 O PHE A 55 10.298 -0.029 -6.323 1.00 0.00 O ATOM 843 CB PHE A 55 8.099 -2.061 -8.258 1.00 0.00 C ATOM 844 CG PHE A 55 7.071 -1.700 -7.169 1.00 0.00 C ATOM 845 CD1 PHE A 55 7.234 -2.116 -5.850 1.00 0.00 C ATOM 846 CD2 PHE A 55 5.948 -0.943 -7.474 1.00 0.00 C ATOM 847 CE1 PHE A 55 6.305 -1.789 -4.882 1.00 0.00 C ATOM 848 CE2 PHE A 55 5.023 -0.623 -6.505 1.00 0.00 C ATOM 849 CZ PHE A 55 5.202 -1.046 -5.209 1.00 0.00 C ATOM 0 H PHE A 55 10.103 -2.300 -5.974 1.00 0.00 H new ATOM 0 HA PHE A 55 10.161 -1.751 -8.849 1.00 0.00 H new ATOM 0 HB2 PHE A 55 7.815 -1.559 -9.183 1.00 0.00 H new ATOM 0 HB3 PHE A 55 8.043 -3.133 -8.447 1.00 0.00 H new ATOM 0 HD1 PHE A 55 8.100 -2.703 -5.580 1.00 0.00 H new ATOM 0 HD2 PHE A 55 5.797 -0.600 -8.487 1.00 0.00 H new ATOM 0 HE1 PHE A 55 6.449 -2.120 -3.864 1.00 0.00 H new ATOM 0 HE2 PHE A 55 4.153 -0.037 -6.764 1.00 0.00 H new ATOM 0 HZ PHE A 55 4.475 -0.793 -4.451 1.00 0.00 H new ATOM 859 N SER A 56 9.121 0.710 -8.123 1.00 0.00 N ATOM 860 CA SER A 56 8.955 2.088 -7.658 1.00 0.00 C ATOM 861 C SER A 56 7.511 2.567 -7.882 1.00 0.00 C ATOM 862 O SER A 56 7.032 2.575 -9.022 1.00 0.00 O ATOM 863 CB SER A 56 9.952 3.029 -8.363 1.00 0.00 C ATOM 864 OG SER A 56 9.893 4.337 -7.809 1.00 0.00 O ATOM 0 H SER A 56 8.764 0.550 -9.065 1.00 0.00 H new ATOM 0 HA SER A 56 9.163 2.111 -6.588 1.00 0.00 H new ATOM 0 HB2 SER A 56 10.963 2.634 -8.265 1.00 0.00 H new ATOM 0 HB3 SER A 56 9.728 3.071 -9.429 1.00 0.00 H new ATOM 0 HG SER A 56 10.535 4.917 -8.270 1.00 0.00 H new ATOM 870 N VAL A 57 6.818 2.940 -6.781 1.00 0.00 N ATOM 871 CA VAL A 57 5.556 3.696 -6.845 1.00 0.00 C ATOM 872 C VAL A 57 5.921 5.121 -7.307 1.00 0.00 C ATOM 873 O VAL A 57 6.804 5.751 -6.704 1.00 0.00 O ATOM 874 CB VAL A 57 4.801 3.766 -5.449 1.00 0.00 C ATOM 875 CG1 VAL A 57 3.377 4.343 -5.610 1.00 0.00 C ATOM 876 CG2 VAL A 57 4.747 2.398 -4.733 1.00 0.00 C ATOM 0 H VAL A 57 7.120 2.724 -5.831 1.00 0.00 H new ATOM 0 HA VAL A 57 4.874 3.194 -7.532 1.00 0.00 H new ATOM 0 HB VAL A 57 5.384 4.439 -4.820 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.886 4.378 -4.637 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.437 5.350 -6.023 1.00 0.00 H new ATOM 0 HG13 VAL A 57 2.801 3.709 -6.284 1.00 0.00 H new ATOM 0 HG21 VAL A 57 4.220 2.504 -3.785 1.00 0.00 H new ATOM 0 HG22 VAL A 57 4.222 1.679 -5.361 1.00 0.00 H new ATOM 0 HG23 VAL A 57 5.761 2.044 -4.547 1.00 0.00 H new ATOM 886 N ASP A 58 5.277 5.614 -8.373 1.00 0.00 N ATOM 887 CA ASP A 58 5.629 6.909 -8.984 1.00 0.00 C ATOM 888 C ASP A 58 5.158 8.083 -8.095 1.00 0.00 C ATOM 889 O ASP A 58 4.117 7.993 -7.464 1.00 0.00 O ATOM 890 CB ASP A 58 5.016 6.997 -10.399 1.00 0.00 C ATOM 891 CG ASP A 58 5.321 8.328 -11.087 1.00 0.00 C ATOM 892 OD1 ASP A 58 6.460 8.515 -11.550 1.00 0.00 O ATOM 893 OD2 ASP A 58 4.444 9.200 -11.134 1.00 0.00 O ATOM 0 H ASP A 58 4.504 5.134 -8.835 1.00 0.00 H new ATOM 0 HA ASP A 58 6.713 6.980 -9.068 1.00 0.00 H new ATOM 0 HB2 ASP A 58 5.400 6.180 -11.009 1.00 0.00 H new ATOM 0 HB3 ASP A 58 3.936 6.865 -10.333 1.00 0.00 H new ATOM 898 N ASP A 59 5.952 9.170 -8.064 1.00 0.00 N ATOM 899 CA ASP A 59 5.676 10.380 -7.245 1.00 0.00 C ATOM 900 C ASP A 59 4.238 10.936 -7.449 1.00 0.00 C ATOM 901 O ASP A 59 3.557 11.283 -6.476 1.00 0.00 O ATOM 902 CB ASP A 59 6.723 11.477 -7.577 1.00 0.00 C ATOM 903 CG ASP A 59 6.608 12.737 -6.688 1.00 0.00 C ATOM 904 OD1 ASP A 59 5.867 13.675 -7.046 1.00 0.00 O ATOM 905 OD2 ASP A 59 7.269 12.792 -5.629 1.00 0.00 O ATOM 0 H ASP A 59 6.812 9.240 -8.609 1.00 0.00 H new ATOM 0 HA ASP A 59 5.751 10.087 -6.198 1.00 0.00 H new ATOM 0 HB2 ASP A 59 7.723 11.057 -7.468 1.00 0.00 H new ATOM 0 HB3 ASP A 59 6.611 11.769 -8.621 1.00 0.00 H new ATOM 910 N ASP A 60 3.788 10.973 -8.717 1.00 0.00 N ATOM 911 CA ASP A 60 2.488 11.574 -9.116 1.00 0.00 C ATOM 912 C ASP A 60 1.277 10.751 -8.629 1.00 0.00 C ATOM 913 O ASP A 60 0.165 11.281 -8.546 1.00 0.00 O ATOM 914 CB ASP A 60 2.426 11.733 -10.657 1.00 0.00 C ATOM 915 CG ASP A 60 3.504 12.681 -11.210 1.00 0.00 C ATOM 916 OD1 ASP A 60 4.675 12.263 -11.345 1.00 0.00 O ATOM 917 OD2 ASP A 60 3.195 13.856 -11.495 1.00 0.00 O ATOM 0 H ASP A 60 4.313 10.587 -9.502 1.00 0.00 H new ATOM 0 HA ASP A 60 2.430 12.551 -8.636 1.00 0.00 H new ATOM 0 HB2 ASP A 60 2.539 10.754 -11.122 1.00 0.00 H new ATOM 0 HB3 ASP A 60 1.442 12.108 -10.938 1.00 0.00 H new ATOM 922 N GLU A 61 1.499 9.463 -8.305 1.00 0.00 N ATOM 923 CA GLU A 61 0.422 8.553 -7.841 1.00 0.00 C ATOM 924 C GLU A 61 0.479 8.357 -6.308 1.00 0.00 C ATOM 925 O GLU A 61 -0.418 7.738 -5.726 1.00 0.00 O ATOM 926 CB GLU A 61 0.490 7.184 -8.585 1.00 0.00 C ATOM 927 CG GLU A 61 1.678 6.291 -8.188 1.00 0.00 C ATOM 928 CD GLU A 61 1.772 4.980 -8.979 1.00 0.00 C ATOM 929 OE1 GLU A 61 1.145 3.984 -8.586 1.00 0.00 O ATOM 930 OE2 GLU A 61 2.476 4.947 -10.002 1.00 0.00 O ATOM 0 H GLU A 61 2.418 9.023 -8.355 1.00 0.00 H new ATOM 0 HA GLU A 61 -0.535 9.018 -8.080 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -0.435 6.638 -8.397 1.00 0.00 H new ATOM 0 HB3 GLU A 61 0.537 7.372 -9.658 1.00 0.00 H new ATOM 0 HG2 GLU A 61 2.602 6.852 -8.326 1.00 0.00 H new ATOM 0 HG3 GLU A 61 1.603 6.057 -7.126 1.00 0.00 H new ATOM 937 N ILE A 62 1.539 8.882 -5.659 1.00 0.00 N ATOM 938 CA ILE A 62 1.679 8.838 -4.190 1.00 0.00 C ATOM 939 C ILE A 62 0.945 10.038 -3.559 1.00 0.00 C ATOM 940 O ILE A 62 1.405 11.184 -3.652 1.00 0.00 O ATOM 941 CB ILE A 62 3.195 8.825 -3.743 1.00 0.00 C ATOM 942 CG1 ILE A 62 3.929 7.582 -4.333 1.00 0.00 C ATOM 943 CG2 ILE A 62 3.334 8.844 -2.199 1.00 0.00 C ATOM 944 CD1 ILE A 62 5.417 7.505 -4.048 1.00 0.00 C ATOM 0 H ILE A 62 2.315 9.344 -6.134 1.00 0.00 H new ATOM 0 HA ILE A 62 1.229 7.910 -3.838 1.00 0.00 H new ATOM 0 HB ILE A 62 3.660 9.730 -4.133 1.00 0.00 H new ATOM 0 HG12 ILE A 62 3.455 6.682 -3.941 1.00 0.00 H new ATOM 0 HG13 ILE A 62 3.783 7.575 -5.413 1.00 0.00 H new ATOM 0 HG21 ILE A 62 4.390 8.834 -1.929 1.00 0.00 H new ATOM 0 HG22 ILE A 62 2.866 9.745 -1.803 1.00 0.00 H new ATOM 0 HG23 ILE A 62 2.844 7.966 -1.779 1.00 0.00 H new ATOM 0 HD11 ILE A 62 5.828 6.604 -4.503 1.00 0.00 H new ATOM 0 HD12 ILE A 62 5.913 8.381 -4.466 1.00 0.00 H new ATOM 0 HD13 ILE A 62 5.580 7.475 -2.971 1.00 0.00 H new ATOM 956 N SER A 63 -0.215 9.764 -2.956 1.00 0.00 N ATOM 957 CA SER A 63 -1.005 10.751 -2.205 1.00 0.00 C ATOM 958 C SER A 63 -1.441 10.147 -0.860 1.00 0.00 C ATOM 959 O SER A 63 -1.245 8.954 -0.609 1.00 0.00 O ATOM 960 CB SER A 63 -2.233 11.177 -3.052 1.00 0.00 C ATOM 961 OG SER A 63 -3.138 11.992 -2.322 1.00 0.00 O ATOM 0 H SER A 63 -0.640 8.837 -2.974 1.00 0.00 H new ATOM 0 HA SER A 63 -0.402 11.636 -2.001 1.00 0.00 H new ATOM 0 HB2 SER A 63 -1.892 11.718 -3.935 1.00 0.00 H new ATOM 0 HB3 SER A 63 -2.754 10.287 -3.405 1.00 0.00 H new ATOM 0 HG SER A 63 -3.894 12.237 -2.896 1.00 0.00 H new ATOM 967 N ALA A 64 -2.001 10.999 0.013 1.00 0.00 N ATOM 968 CA ALA A 64 -2.664 10.563 1.257 1.00 0.00 C ATOM 969 C ALA A 64 -3.858 9.640 0.924 1.00 0.00 C ATOM 970 O ALA A 64 -4.155 8.689 1.645 1.00 0.00 O ATOM 971 CB ALA A 64 -3.131 11.788 2.061 1.00 0.00 C ATOM 0 H ALA A 64 -2.008 12.010 -0.122 1.00 0.00 H new ATOM 0 HA ALA A 64 -1.953 10.002 1.864 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -3.619 11.457 2.978 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -2.270 12.408 2.312 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -3.835 12.368 1.464 1.00 0.00 H new ATOM 977 N GLN A 65 -4.485 9.917 -0.234 1.00 0.00 N ATOM 978 CA GLN A 65 -5.642 9.157 -0.747 1.00 0.00 C ATOM 979 C GLN A 65 -5.226 7.753 -1.243 1.00 0.00 C ATOM 980 O GLN A 65 -6.086 6.915 -1.512 1.00 0.00 O ATOM 981 CB GLN A 65 -6.333 9.961 -1.879 1.00 0.00 C ATOM 982 CG GLN A 65 -6.664 11.429 -1.523 1.00 0.00 C ATOM 983 CD GLN A 65 -7.551 11.580 -0.280 1.00 0.00 C ATOM 984 OE1 GLN A 65 -8.776 11.588 -0.377 1.00 0.00 O ATOM 985 NE2 GLN A 65 -6.936 11.708 0.890 1.00 0.00 N ATOM 0 H GLN A 65 -4.201 10.682 -0.846 1.00 0.00 H new ATOM 0 HA GLN A 65 -6.348 9.012 0.071 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -5.688 9.952 -2.758 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -7.256 9.452 -2.156 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -5.733 11.973 -1.362 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -7.163 11.896 -2.373 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -5.917 11.697 0.934 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -7.483 11.817 1.744 1.00 0.00 H new ATOM 994 N THR A 66 -3.904 7.520 -1.390 1.00 0.00 N ATOM 995 CA THR A 66 -3.349 6.184 -1.661 1.00 0.00 C ATOM 996 C THR A 66 -3.405 5.354 -0.365 1.00 0.00 C ATOM 997 O THR A 66 -3.788 4.189 -0.381 1.00 0.00 O ATOM 998 CB THR A 66 -1.870 6.275 -2.173 1.00 0.00 C ATOM 999 OG1 THR A 66 -1.810 7.145 -3.311 1.00 0.00 O ATOM 1000 CG2 THR A 66 -1.277 4.905 -2.555 1.00 0.00 C ATOM 0 H THR A 66 -3.197 8.252 -1.324 1.00 0.00 H new ATOM 0 HA THR A 66 -3.941 5.707 -2.442 1.00 0.00 H new ATOM 0 HB THR A 66 -1.274 6.667 -1.349 1.00 0.00 H new ATOM 0 HG1 THR A 66 -1.054 6.888 -3.879 1.00 0.00 H new ATOM 0 HG21 THR A 66 -0.252 5.036 -2.901 1.00 0.00 H new ATOM 0 HG22 THR A 66 -1.285 4.250 -1.684 1.00 0.00 H new ATOM 0 HG23 THR A 66 -1.874 4.459 -3.350 1.00 0.00 H new ATOM 1008 N PHE A 67 -3.052 6.008 0.759 1.00 0.00 N ATOM 1009 CA PHE A 67 -2.967 5.375 2.097 1.00 0.00 C ATOM 1010 C PHE A 67 -4.282 5.509 2.893 1.00 0.00 C ATOM 1011 O PHE A 67 -4.279 5.373 4.125 1.00 0.00 O ATOM 1012 CB PHE A 67 -1.777 5.988 2.884 1.00 0.00 C ATOM 1013 CG PHE A 67 -0.416 5.651 2.284 1.00 0.00 C ATOM 1014 CD1 PHE A 67 0.136 6.420 1.259 1.00 0.00 C ATOM 1015 CD2 PHE A 67 0.300 4.538 2.731 1.00 0.00 C ATOM 1016 CE1 PHE A 67 1.359 6.092 0.705 1.00 0.00 C ATOM 1017 CE2 PHE A 67 1.520 4.213 2.172 1.00 0.00 C ATOM 1018 CZ PHE A 67 2.049 4.989 1.164 1.00 0.00 C ATOM 0 H PHE A 67 -2.815 7.000 0.767 1.00 0.00 H new ATOM 0 HA PHE A 67 -2.799 4.307 1.956 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -1.893 7.071 2.917 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -1.810 5.632 3.914 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -0.400 7.284 0.893 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -0.105 3.925 3.523 1.00 0.00 H new ATOM 0 HE1 PHE A 67 1.774 6.698 -0.086 1.00 0.00 H new ATOM 0 HE2 PHE A 67 2.061 3.348 2.526 1.00 0.00 H new ATOM 0 HZ PHE A 67 3.005 4.733 0.732 1.00 0.00 H new ATOM 1028 N GLU A 68 -5.403 5.749 2.187 1.00 0.00 N ATOM 1029 CA GLU A 68 -6.733 5.828 2.822 1.00 0.00 C ATOM 1030 C GLU A 68 -7.134 4.459 3.419 1.00 0.00 C ATOM 1031 O GLU A 68 -7.607 4.389 4.550 1.00 0.00 O ATOM 1032 CB GLU A 68 -7.820 6.341 1.832 1.00 0.00 C ATOM 1033 CG GLU A 68 -8.042 5.466 0.586 1.00 0.00 C ATOM 1034 CD GLU A 68 -9.345 5.783 -0.169 1.00 0.00 C ATOM 1035 OE1 GLU A 68 -9.394 6.792 -0.906 1.00 0.00 O ATOM 1036 OE2 GLU A 68 -10.329 5.017 -0.027 1.00 0.00 O ATOM 0 H GLU A 68 -5.415 5.892 1.177 1.00 0.00 H new ATOM 0 HA GLU A 68 -6.666 6.554 3.632 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -8.765 6.426 2.369 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -7.547 7.345 1.507 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -7.199 5.595 -0.093 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -8.052 4.418 0.886 1.00 0.00 H new ATOM 1043 N THR A 69 -6.926 3.373 2.650 1.00 0.00 N ATOM 1044 CA THR A 69 -7.275 2.012 3.075 1.00 0.00 C ATOM 1045 C THR A 69 -6.330 0.978 2.435 1.00 0.00 C ATOM 1046 O THR A 69 -5.698 1.255 1.403 1.00 0.00 O ATOM 1047 CB THR A 69 -8.772 1.689 2.724 1.00 0.00 C ATOM 1048 OG1 THR A 69 -9.160 0.411 3.232 1.00 0.00 O ATOM 1049 CG2 THR A 69 -9.060 1.721 1.217 1.00 0.00 C ATOM 0 H THR A 69 -6.512 3.419 1.719 1.00 0.00 H new ATOM 0 HA THR A 69 -7.157 1.954 4.157 1.00 0.00 H new ATOM 0 HB THR A 69 -9.355 2.478 3.200 1.00 0.00 H new ATOM 0 HG1 THR A 69 -9.087 -0.259 2.521 1.00 0.00 H new ATOM 0 HG21 THR A 69 -10.111 1.490 1.042 1.00 0.00 H new ATOM 0 HG22 THR A 69 -8.837 2.713 0.825 1.00 0.00 H new ATOM 0 HG23 THR A 69 -8.437 0.983 0.712 1.00 0.00 H new ATOM 1057 N LEU A 70 -6.247 -0.215 3.071 1.00 0.00 N ATOM 1058 CA LEU A 70 -5.428 -1.358 2.608 1.00 0.00 C ATOM 1059 C LEU A 70 -5.725 -1.708 1.138 1.00 0.00 C ATOM 1060 O LEU A 70 -4.810 -2.021 0.362 1.00 0.00 O ATOM 1061 CB LEU A 70 -5.709 -2.607 3.491 1.00 0.00 C ATOM 1062 CG LEU A 70 -4.896 -3.892 3.131 1.00 0.00 C ATOM 1063 CD1 LEU A 70 -3.402 -3.695 3.409 1.00 0.00 C ATOM 1064 CD2 LEU A 70 -5.441 -5.134 3.862 1.00 0.00 C ATOM 0 H LEU A 70 -6.755 -0.412 3.933 1.00 0.00 H new ATOM 0 HA LEU A 70 -4.381 -1.066 2.692 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -5.502 -2.348 4.529 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -6.771 -2.842 3.427 1.00 0.00 H new ATOM 0 HG LEU A 70 -5.018 -4.067 2.062 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -2.861 -4.605 3.149 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -3.027 -2.866 2.809 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -3.255 -3.474 4.466 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.850 -6.007 3.586 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -5.378 -4.979 4.939 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -6.481 -5.296 3.579 1.00 0.00 H new ATOM 1076 N GLY A 71 -7.026 -1.646 0.799 1.00 0.00 N ATOM 1077 CA GLY A 71 -7.521 -1.961 -0.533 1.00 0.00 C ATOM 1078 C GLY A 71 -6.897 -1.075 -1.588 1.00 0.00 C ATOM 1079 O GLY A 71 -6.500 -1.560 -2.638 1.00 0.00 O ATOM 0 H GLY A 71 -7.759 -1.373 1.453 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.308 -3.005 -0.763 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -8.605 -1.845 -0.555 1.00 0.00 H new ATOM 1083 N SER A 72 -6.769 0.226 -1.273 1.00 0.00 N ATOM 1084 CA SER A 72 -6.163 1.211 -2.176 1.00 0.00 C ATOM 1085 C SER A 72 -4.705 0.837 -2.504 1.00 0.00 C ATOM 1086 O SER A 72 -4.356 0.743 -3.678 1.00 0.00 O ATOM 1087 CB SER A 72 -6.260 2.617 -1.566 1.00 0.00 C ATOM 1088 OG SER A 72 -7.610 2.958 -1.327 1.00 0.00 O ATOM 0 H SER A 72 -7.083 0.620 -0.386 1.00 0.00 H new ATOM 0 HA SER A 72 -6.715 1.209 -3.116 1.00 0.00 H new ATOM 0 HB2 SER A 72 -5.698 2.655 -0.633 1.00 0.00 H new ATOM 0 HB3 SER A 72 -5.808 3.345 -2.240 1.00 0.00 H new ATOM 0 HG SER A 72 -7.796 3.843 -1.705 1.00 0.00 H new ATOM 1094 N LEU A 73 -3.885 0.551 -1.460 1.00 0.00 N ATOM 1095 CA LEU A 73 -2.465 0.151 -1.643 1.00 0.00 C ATOM 1096 C LEU A 73 -2.372 -1.105 -2.519 1.00 0.00 C ATOM 1097 O LEU A 73 -1.492 -1.202 -3.383 1.00 0.00 O ATOM 1098 CB LEU A 73 -1.748 -0.129 -0.287 1.00 0.00 C ATOM 1099 CG LEU A 73 -1.376 1.096 0.599 1.00 0.00 C ATOM 1100 CD1 LEU A 73 -0.485 2.102 -0.159 1.00 0.00 C ATOM 1101 CD2 LEU A 73 -2.626 1.770 1.175 1.00 0.00 C ATOM 0 H LEU A 73 -4.182 0.590 -0.485 1.00 0.00 H new ATOM 0 HA LEU A 73 -1.965 0.989 -2.128 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -2.387 -0.787 0.301 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.832 -0.681 -0.499 1.00 0.00 H new ATOM 0 HG LEU A 73 -0.791 0.722 1.439 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -0.248 2.942 0.494 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.438 1.610 -0.467 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -1.014 2.465 -1.040 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -2.330 2.621 1.788 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -3.262 2.114 0.360 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -3.175 1.055 1.787 1.00 0.00 H new ATOM 1113 N ALA A 74 -3.309 -2.043 -2.281 1.00 0.00 N ATOM 1114 CA ALA A 74 -3.406 -3.285 -3.040 1.00 0.00 C ATOM 1115 C ALA A 74 -3.661 -2.993 -4.524 1.00 0.00 C ATOM 1116 O ALA A 74 -2.928 -3.489 -5.351 1.00 0.00 O ATOM 1117 CB ALA A 74 -4.487 -4.197 -2.458 1.00 0.00 C ATOM 0 H ALA A 74 -4.018 -1.952 -1.553 1.00 0.00 H new ATOM 0 HA ALA A 74 -2.454 -3.811 -2.961 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -4.540 -5.116 -3.041 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -4.242 -4.437 -1.423 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -5.450 -3.688 -2.494 1.00 0.00 H new ATOM 1123 N LEU A 75 -4.651 -2.113 -4.827 1.00 0.00 N ATOM 1124 CA LEU A 75 -5.040 -1.739 -6.220 1.00 0.00 C ATOM 1125 C LEU A 75 -3.835 -1.147 -6.993 1.00 0.00 C ATOM 1126 O LEU A 75 -3.573 -1.521 -8.155 1.00 0.00 O ATOM 1127 CB LEU A 75 -6.243 -0.727 -6.227 1.00 0.00 C ATOM 1128 CG LEU A 75 -7.687 -1.315 -6.370 1.00 0.00 C ATOM 1129 CD1 LEU A 75 -7.816 -2.177 -7.632 1.00 0.00 C ATOM 1130 CD2 LEU A 75 -8.133 -2.088 -5.124 1.00 0.00 C ATOM 0 H LEU A 75 -5.205 -1.640 -4.113 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.361 -2.651 -6.724 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -6.204 -0.154 -5.301 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -6.085 -0.023 -7.044 1.00 0.00 H new ATOM 0 HG LEU A 75 -8.361 -0.464 -6.470 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -8.830 -2.570 -7.702 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -7.601 -1.570 -8.511 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -7.109 -3.005 -7.581 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -9.141 -2.474 -5.277 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -7.449 -2.918 -4.947 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -8.126 -1.422 -4.261 1.00 0.00 H new ATOM 1142 N PHE A 76 -3.108 -0.231 -6.317 1.00 0.00 N ATOM 1143 CA PHE A 76 -1.897 0.402 -6.866 1.00 0.00 C ATOM 1144 C PHE A 76 -0.871 -0.666 -7.260 1.00 0.00 C ATOM 1145 O PHE A 76 -0.507 -0.763 -8.428 1.00 0.00 O ATOM 1146 CB PHE A 76 -1.287 1.425 -5.858 1.00 0.00 C ATOM 1147 CG PHE A 76 -1.953 2.806 -5.898 1.00 0.00 C ATOM 1148 CD1 PHE A 76 -3.190 3.036 -5.307 1.00 0.00 C ATOM 1149 CD2 PHE A 76 -1.344 3.870 -6.557 1.00 0.00 C ATOM 1150 CE1 PHE A 76 -3.790 4.278 -5.361 1.00 0.00 C ATOM 1151 CE2 PHE A 76 -1.943 5.106 -6.614 1.00 0.00 C ATOM 1152 CZ PHE A 76 -3.166 5.312 -6.017 1.00 0.00 C ATOM 0 H PHE A 76 -3.346 0.087 -5.378 1.00 0.00 H new ATOM 0 HA PHE A 76 -2.177 0.956 -7.762 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -1.371 1.021 -4.849 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -0.224 1.539 -6.069 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -3.691 2.227 -4.796 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -0.385 3.722 -7.031 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -4.748 4.437 -4.889 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -1.452 5.918 -7.129 1.00 0.00 H new ATOM 0 HZ PHE A 76 -3.634 6.284 -6.064 1.00 0.00 H new ATOM 1162 N VAL A 77 -0.473 -1.511 -6.294 1.00 0.00 N ATOM 1163 CA VAL A 77 0.543 -2.559 -6.517 1.00 0.00 C ATOM 1164 C VAL A 77 0.042 -3.672 -7.480 1.00 0.00 C ATOM 1165 O VAL A 77 0.869 -4.369 -8.077 1.00 0.00 O ATOM 1166 CB VAL A 77 1.115 -3.152 -5.177 1.00 0.00 C ATOM 1167 CG1 VAL A 77 1.771 -2.044 -4.318 1.00 0.00 C ATOM 1168 CG2 VAL A 77 0.037 -3.889 -4.377 1.00 0.00 C ATOM 0 H VAL A 77 -0.842 -1.489 -5.343 1.00 0.00 H new ATOM 0 HA VAL A 77 1.378 -2.064 -7.012 1.00 0.00 H new ATOM 0 HB VAL A 77 1.881 -3.880 -5.445 1.00 0.00 H new ATOM 0 HG11 VAL A 77 2.159 -2.479 -3.397 1.00 0.00 H new ATOM 0 HG12 VAL A 77 2.589 -1.587 -4.876 1.00 0.00 H new ATOM 0 HG13 VAL A 77 1.028 -1.284 -4.075 1.00 0.00 H new ATOM 0 HG21 VAL A 77 0.472 -4.284 -3.459 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -0.769 -3.198 -4.129 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -0.360 -4.711 -4.973 1.00 0.00 H new ATOM 1178 N GLU A 78 -1.305 -3.857 -7.616 1.00 0.00 N ATOM 1179 CA GLU A 78 -1.870 -4.749 -8.663 1.00 0.00 C ATOM 1180 C GLU A 78 -1.375 -4.251 -10.023 1.00 0.00 C ATOM 1181 O GLU A 78 -0.800 -5.005 -10.801 1.00 0.00 O ATOM 1182 CB GLU A 78 -3.436 -4.773 -8.723 1.00 0.00 C ATOM 1183 CG GLU A 78 -4.191 -5.229 -7.464 1.00 0.00 C ATOM 1184 CD GLU A 78 -3.775 -6.599 -6.910 1.00 0.00 C ATOM 1185 OE1 GLU A 78 -3.769 -7.582 -7.667 1.00 0.00 O ATOM 1186 OE2 GLU A 78 -3.496 -6.710 -5.698 1.00 0.00 O ATOM 0 H GLU A 78 -2.004 -3.408 -7.024 1.00 0.00 H new ATOM 0 HA GLU A 78 -1.542 -5.759 -8.416 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -3.778 -3.769 -8.974 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -3.730 -5.425 -9.546 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -4.048 -4.481 -6.684 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -5.257 -5.255 -7.689 1.00 0.00 H new ATOM 1193 N HIS A 79 -1.573 -2.935 -10.246 1.00 0.00 N ATOM 1194 CA HIS A 79 -1.231 -2.273 -11.514 1.00 0.00 C ATOM 1195 C HIS A 79 0.284 -2.326 -11.782 1.00 0.00 C ATOM 1196 O HIS A 79 0.712 -2.779 -12.841 1.00 0.00 O ATOM 1197 CB HIS A 79 -1.710 -0.800 -11.507 1.00 0.00 C ATOM 1198 CG HIS A 79 -3.191 -0.618 -11.297 1.00 0.00 C ATOM 1199 ND1 HIS A 79 -3.752 0.600 -11.006 1.00 0.00 N ATOM 1200 CD2 HIS A 79 -4.223 -1.499 -11.337 1.00 0.00 C ATOM 1201 CE1 HIS A 79 -5.055 0.468 -10.878 1.00 0.00 C ATOM 1202 NE2 HIS A 79 -5.368 -0.795 -11.074 1.00 0.00 N ATOM 0 H HIS A 79 -1.974 -2.306 -9.551 1.00 0.00 H new ATOM 0 HA HIS A 79 -1.741 -2.811 -12.313 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -1.177 -0.263 -10.722 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -1.432 -0.338 -12.454 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -4.154 -2.558 -11.539 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -5.750 1.262 -10.650 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -6.309 -1.186 -11.036 1.00 0.00 H new ATOM 1211 N LYS A 80 1.068 -1.891 -10.779 1.00 0.00 N ATOM 1212 CA LYS A 80 2.530 -1.682 -10.887 1.00 0.00 C ATOM 1213 C LYS A 80 3.273 -2.953 -11.311 1.00 0.00 C ATOM 1214 O LYS A 80 4.096 -2.938 -12.234 1.00 0.00 O ATOM 1215 CB LYS A 80 3.089 -1.183 -9.528 1.00 0.00 C ATOM 1216 CG LYS A 80 2.460 0.127 -9.006 1.00 0.00 C ATOM 1217 CD LYS A 80 2.648 1.310 -9.972 1.00 0.00 C ATOM 1218 CE LYS A 80 4.105 1.774 -10.083 1.00 0.00 C ATOM 1219 NZ LYS A 80 4.256 2.879 -11.061 1.00 0.00 N ATOM 0 H LYS A 80 0.701 -1.670 -9.853 1.00 0.00 H new ATOM 0 HA LYS A 80 2.694 -0.933 -11.662 1.00 0.00 H new ATOM 0 HB2 LYS A 80 2.939 -1.963 -8.782 1.00 0.00 H new ATOM 0 HB3 LYS A 80 4.165 -1.038 -9.626 1.00 0.00 H new ATOM 0 HG2 LYS A 80 1.395 -0.030 -8.836 1.00 0.00 H new ATOM 0 HG3 LYS A 80 2.903 0.378 -8.042 1.00 0.00 H new ATOM 0 HD2 LYS A 80 2.288 1.024 -10.960 1.00 0.00 H new ATOM 0 HD3 LYS A 80 2.032 2.145 -9.638 1.00 0.00 H new ATOM 0 HE2 LYS A 80 4.458 2.103 -9.105 1.00 0.00 H new ATOM 0 HE3 LYS A 80 4.732 0.935 -10.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 5.252 3.178 -11.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 3.959 2.552 -12.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 3.664 3.683 -10.771 1.00 0.00 H new ATOM 1233 N LEU A 81 2.948 -4.052 -10.625 1.00 0.00 N ATOM 1234 CA LEU A 81 3.577 -5.359 -10.860 1.00 0.00 C ATOM 1235 C LEU A 81 2.992 -6.043 -12.125 1.00 0.00 C ATOM 1236 O LEU A 81 3.602 -6.977 -12.652 1.00 0.00 O ATOM 1237 CB LEU A 81 3.462 -6.265 -9.589 1.00 0.00 C ATOM 1238 CG LEU A 81 4.367 -5.882 -8.352 1.00 0.00 C ATOM 1239 CD1 LEU A 81 5.864 -5.875 -8.719 1.00 0.00 C ATOM 1240 CD2 LEU A 81 3.960 -4.541 -7.702 1.00 0.00 C ATOM 0 H LEU A 81 2.241 -4.063 -9.890 1.00 0.00 H new ATOM 0 HA LEU A 81 4.639 -5.202 -11.050 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.422 -6.260 -9.262 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.700 -7.288 -9.879 1.00 0.00 H new ATOM 0 HG LEU A 81 4.200 -6.662 -7.609 1.00 0.00 H new ATOM 0 HD11 LEU A 81 6.452 -5.607 -7.842 1.00 0.00 H new ATOM 0 HD12 LEU A 81 6.159 -6.866 -9.065 1.00 0.00 H new ATOM 0 HD13 LEU A 81 6.041 -5.147 -9.511 1.00 0.00 H new ATOM 0 HD21 LEU A 81 4.617 -4.331 -6.858 1.00 0.00 H new ATOM 0 HD22 LEU A 81 4.045 -3.740 -8.436 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.930 -4.604 -7.352 1.00 0.00 H new ATOM 1252 N SER A 82 1.818 -5.569 -12.606 1.00 0.00 N ATOM 1253 CA SER A 82 1.237 -6.018 -13.897 1.00 0.00 C ATOM 1254 C SER A 82 1.732 -5.145 -15.076 1.00 0.00 C ATOM 1255 O SER A 82 1.442 -5.459 -16.237 1.00 0.00 O ATOM 1256 CB SER A 82 -0.307 -5.990 -13.839 1.00 0.00 C ATOM 1257 OG SER A 82 -0.805 -6.904 -12.878 1.00 0.00 O ATOM 0 H SER A 82 1.252 -4.874 -12.119 1.00 0.00 H new ATOM 0 HA SER A 82 1.571 -7.042 -14.065 1.00 0.00 H new ATOM 0 HB2 SER A 82 -0.645 -4.983 -13.595 1.00 0.00 H new ATOM 0 HB3 SER A 82 -0.714 -6.234 -14.820 1.00 0.00 H new ATOM 0 HG SER A 82 -0.896 -6.452 -12.013 1.00 0.00 H new