USER MOD reduce.3.24.130724 H: found=0, std=0, add=746, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 749 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 83 ASN : amide:sc= -1.64 K(o=-1.6,f=-3!) USER MOD Set 1.2: A 96 THR OG1 : rot 180:sc= 0.0288 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -1.6! K(o=-1.6!,f=-0.52) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=-0.02) USER MOD Single : A 29 SER OG : rot -110:sc= -1.74! USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 160:sc= -1.04 USER MOD Single : A 33 TYR OH : rot 24:sc= -1.73! USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -1.97 K(o=-2,f=-0.098) USER MOD Single : A 37 SER OG : rot 45:sc= 0.0824 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 HIS : no HE2:sc= -9.76! C(o=-9.8!,f=-6.4!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot -69:sc= -3.17 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -0.974 K(o=-0.97,f=-2.6!) USER MOD Single : A 68 SER OG : rot -18:sc= 0.121! USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0.0558 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= -0.0763 X(o=-0.076,f=-0.077) USER MOD Single : A 82 HIS : no HE2:sc= -2.52! X(o=-2.5!,f=-2.2) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 69:sc= 1.83 USER MOD Single : A 97 TYR OH : rot -131:sc= -2.26 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 100 ASN : amide:sc= -3.21! K(o=-3.2!,f=-2.3) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot -39:sc= 0.773 USER MOD Single : A 108 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 SER OG : rot -123:sc= -5.65! USER MOD Single : A 114 SER OG : rot 5:sc= 0.148 USER MOD Single : A 119 SER OG : rot 159:sc= -4.08! USER MOD Single : A 123 THR OG1 : rot 180:sc= -0.0319 USER MOD Single : A 125 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 25 N ARG A 8 -30.427 3.849 4.493 1.00 0.00 N ATOM 26 CA ARG A 8 -29.044 3.619 4.082 1.00 0.00 C ATOM 27 C ARG A 8 -28.654 2.161 4.285 1.00 0.00 C ATOM 28 O ARG A 8 -29.437 1.361 4.797 1.00 0.00 O ATOM 29 CB ARG A 8 -28.065 4.526 4.851 1.00 0.00 C ATOM 30 CG ARG A 8 -28.723 5.519 5.802 1.00 0.00 C ATOM 31 CD ARG A 8 -27.688 6.310 6.586 1.00 0.00 C ATOM 32 NE ARG A 8 -28.169 7.641 6.941 1.00 0.00 N ATOM 33 CZ ARG A 8 -27.648 8.376 7.919 1.00 0.00 C ATOM 34 NH1 ARG A 8 -28.141 9.578 8.182 1.00 0.00 N ATOM 35 NH2 ARG A 8 -26.634 7.909 8.633 1.00 0.00 N ATOM 0 HA ARG A 8 -28.980 3.864 3.022 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -27.381 3.897 5.421 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -27.463 5.079 4.130 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -29.353 6.204 5.235 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -29.375 4.985 6.494 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -27.427 5.765 7.493 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -26.777 6.400 5.995 1.00 0.00 H new ATOM 0 HE ARG A 8 -28.948 8.029 6.409 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -28.921 9.940 7.634 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -27.740 10.141 8.933 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -26.252 6.985 8.433 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -26.235 8.474 9.383 1.00 0.00 H new ATOM 49 N CYS A 9 -27.435 1.827 3.880 1.00 0.00 N ATOM 50 CA CYS A 9 -26.925 0.473 4.013 1.00 0.00 C ATOM 51 C CYS A 9 -26.213 0.294 5.352 1.00 0.00 C ATOM 52 O CYS A 9 -25.826 1.272 5.992 1.00 0.00 O ATOM 53 CB CYS A 9 -25.964 0.166 2.865 1.00 0.00 C ATOM 54 SG CYS A 9 -26.784 -0.110 1.261 1.00 0.00 S ATOM 0 H CYS A 9 -26.779 2.482 3.454 1.00 0.00 H new ATOM 0 HA CYS A 9 -27.765 -0.220 3.974 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -25.260 0.992 2.764 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -25.381 -0.719 3.120 1.00 0.00 H new ATOM 59 N PRO A 10 -26.029 -0.960 5.794 1.00 0.00 N ATOM 60 CA PRO A 10 -25.372 -1.258 7.070 1.00 0.00 C ATOM 61 C PRO A 10 -23.892 -0.888 7.062 1.00 0.00 C ATOM 62 O PRO A 10 -23.356 -0.448 6.045 1.00 0.00 O ATOM 63 CB PRO A 10 -25.551 -2.768 7.230 1.00 0.00 C ATOM 64 CG PRO A 10 -25.760 -3.277 5.848 1.00 0.00 C ATOM 65 CD PRO A 10 -26.468 -2.182 5.100 1.00 0.00 C ATOM 0 HA PRO A 10 -25.802 -0.682 7.889 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -24.674 -3.223 7.690 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -26.403 -2.999 7.869 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -24.809 -3.520 5.375 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -26.354 -4.191 5.855 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -26.189 -2.169 4.046 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -27.551 -2.301 5.141 1.00 0.00 H new ATOM 73 N SER A 11 -23.241 -1.061 8.207 1.00 0.00 N ATOM 74 CA SER A 11 -21.826 -0.734 8.341 1.00 0.00 C ATOM 75 C SER A 11 -21.002 -1.396 7.236 1.00 0.00 C ATOM 76 O SER A 11 -20.822 -2.614 7.237 1.00 0.00 O ATOM 77 CB SER A 11 -21.310 -1.182 9.710 1.00 0.00 C ATOM 78 OG SER A 11 -19.932 -0.885 9.858 1.00 0.00 O ATOM 0 H SER A 11 -23.671 -1.426 9.057 1.00 0.00 H new ATOM 0 HA SER A 11 -21.719 0.347 8.250 1.00 0.00 H new ATOM 0 HB2 SER A 11 -21.879 -0.686 10.497 1.00 0.00 H new ATOM 0 HB3 SER A 11 -21.469 -2.254 9.829 1.00 0.00 H new ATOM 0 HG SER A 11 -19.627 -1.180 10.741 1.00 0.00 H new ATOM 84 N PRO A 12 -20.480 -0.606 6.278 1.00 0.00 N ATOM 85 CA PRO A 12 -19.675 -1.140 5.184 1.00 0.00 C ATOM 86 C PRO A 12 -18.532 -2.011 5.692 1.00 0.00 C ATOM 87 O PRO A 12 -18.061 -1.839 6.816 1.00 0.00 O ATOM 88 CB PRO A 12 -19.122 0.098 4.467 1.00 0.00 C ATOM 89 CG PRO A 12 -19.530 1.285 5.274 1.00 0.00 C ATOM 90 CD PRO A 12 -20.636 0.852 6.190 1.00 0.00 C ATOM 0 HA PRO A 12 -20.269 -1.779 4.530 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -18.037 0.043 4.383 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -19.517 0.166 3.453 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -18.685 1.667 5.847 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -19.865 2.093 4.624 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -20.549 1.322 7.170 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -21.613 1.125 5.791 1.00 0.00 H new ATOM 98 N ARG A 13 -18.102 -2.956 4.865 1.00 0.00 N ATOM 99 CA ARG A 13 -17.005 -3.843 5.226 1.00 0.00 C ATOM 100 C ARG A 13 -15.715 -3.059 5.340 1.00 0.00 C ATOM 101 O ARG A 13 -15.603 -1.956 4.814 1.00 0.00 O ATOM 102 CB ARG A 13 -16.858 -4.959 4.193 1.00 0.00 C ATOM 103 CG ARG A 13 -17.595 -6.233 4.570 1.00 0.00 C ATOM 104 CD ARG A 13 -16.903 -7.463 4.006 1.00 0.00 C ATOM 105 NE ARG A 13 -17.482 -8.700 4.520 1.00 0.00 N ATOM 106 CZ ARG A 13 -17.247 -9.897 3.992 1.00 0.00 C ATOM 107 NH1 ARG A 13 -16.449 -10.014 2.940 1.00 0.00 N ATOM 108 NH2 ARG A 13 -17.810 -10.977 4.516 1.00 0.00 N ATOM 0 H ARG A 13 -18.497 -3.127 3.940 1.00 0.00 H new ATOM 0 HA ARG A 13 -17.227 -4.295 6.193 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -17.229 -4.605 3.231 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -15.800 -5.186 4.062 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -17.654 -6.313 5.655 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -18.618 -6.187 4.197 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -16.976 -7.453 2.918 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -15.842 -7.428 4.255 1.00 0.00 H new ATOM 0 HE ARG A 13 -18.101 -8.643 5.329 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -16.014 -9.185 2.535 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -16.269 -10.933 2.536 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -18.424 -10.890 5.325 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -17.629 -11.895 4.110 1.00 0.00 H new ATOM 122 N ASP A 14 -14.747 -3.626 6.036 1.00 0.00 N ATOM 123 CA ASP A 14 -13.505 -2.944 6.284 1.00 0.00 C ATOM 124 C ASP A 14 -12.341 -3.577 5.531 1.00 0.00 C ATOM 125 O ASP A 14 -12.512 -4.543 4.787 1.00 0.00 O ATOM 126 CB ASP A 14 -13.248 -2.962 7.784 1.00 0.00 C ATOM 127 CG ASP A 14 -12.816 -4.324 8.295 1.00 0.00 C ATOM 128 OD1 ASP A 14 -13.694 -5.190 8.494 1.00 0.00 O ATOM 129 OD2 ASP A 14 -11.600 -4.523 8.500 1.00 0.00 O ATOM 0 H ASP A 14 -14.804 -4.562 6.438 1.00 0.00 H new ATOM 0 HA ASP A 14 -13.584 -1.919 5.921 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -12.478 -2.229 8.024 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -14.154 -2.655 8.306 1.00 0.00 H new ATOM 134 N ILE A 15 -11.157 -3.014 5.735 1.00 0.00 N ATOM 135 CA ILE A 15 -9.945 -3.509 5.092 1.00 0.00 C ATOM 136 C ILE A 15 -8.759 -3.426 6.049 1.00 0.00 C ATOM 137 O ILE A 15 -8.678 -2.515 6.873 1.00 0.00 O ATOM 138 CB ILE A 15 -9.628 -2.720 3.808 1.00 0.00 C ATOM 139 CG1 ILE A 15 -8.417 -3.323 3.094 1.00 0.00 C ATOM 140 CG2 ILE A 15 -9.382 -1.256 4.133 1.00 0.00 C ATOM 141 CD1 ILE A 15 -8.456 -3.149 1.591 1.00 0.00 C ATOM 0 H ILE A 15 -11.009 -2.209 6.344 1.00 0.00 H new ATOM 0 HA ILE A 15 -10.120 -4.551 4.823 1.00 0.00 H new ATOM 0 HB ILE A 15 -10.487 -2.785 3.141 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -7.509 -2.861 3.482 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -8.359 -4.386 3.328 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -9.159 -0.712 3.215 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -10.272 -0.832 4.599 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -8.538 -1.172 4.818 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -7.567 -3.600 1.149 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -9.346 -3.635 1.191 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -8.483 -2.087 1.348 1.00 0.00 H new ATOM 153 N ASP A 16 -7.853 -4.393 5.952 1.00 0.00 N ATOM 154 CA ASP A 16 -6.696 -4.448 6.840 1.00 0.00 C ATOM 155 C ASP A 16 -5.591 -3.498 6.391 1.00 0.00 C ATOM 156 O ASP A 16 -5.255 -2.548 7.097 1.00 0.00 O ATOM 157 CB ASP A 16 -6.155 -5.878 6.914 1.00 0.00 C ATOM 158 CG ASP A 16 -6.964 -6.754 7.849 1.00 0.00 C ATOM 159 OD1 ASP A 16 -7.907 -7.419 7.373 1.00 0.00 O ATOM 160 OD2 ASP A 16 -6.655 -6.774 9.059 1.00 0.00 O ATOM 0 H ASP A 16 -7.897 -5.149 5.268 1.00 0.00 H new ATOM 0 HA ASP A 16 -7.026 -4.131 7.829 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -6.158 -6.317 5.916 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -5.118 -5.854 7.249 1.00 0.00 H new ATOM 165 N ASN A 17 -5.017 -3.765 5.223 1.00 0.00 N ATOM 166 CA ASN A 17 -3.932 -2.939 4.702 1.00 0.00 C ATOM 167 C ASN A 17 -4.469 -1.851 3.783 1.00 0.00 C ATOM 168 O ASN A 17 -3.838 -1.497 2.787 1.00 0.00 O ATOM 169 CB ASN A 17 -2.908 -3.798 3.951 1.00 0.00 C ATOM 170 CG ASN A 17 -2.782 -5.200 4.519 1.00 0.00 C ATOM 171 OD1 ASN A 17 -2.530 -6.157 3.788 1.00 0.00 O ATOM 172 ND2 ASN A 17 -2.966 -5.330 5.829 1.00 0.00 N ATOM 0 H ASN A 17 -5.283 -4.544 4.620 1.00 0.00 H new ATOM 0 HA ASN A 17 -3.439 -2.465 5.551 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -3.195 -3.861 2.901 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -1.935 -3.308 3.987 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -2.900 -6.250 6.264 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -3.173 -4.510 6.399 1.00 0.00 H new ATOM 179 N GLY A 18 -5.634 -1.315 4.129 1.00 0.00 N ATOM 180 CA GLY A 18 -6.231 -0.267 3.327 1.00 0.00 C ATOM 181 C GLY A 18 -7.079 0.689 4.145 1.00 0.00 C ATOM 182 O GLY A 18 -7.246 0.506 5.351 1.00 0.00 O ATOM 0 H GLY A 18 -6.174 -1.588 4.950 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -5.443 0.293 2.824 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -6.847 -0.718 2.549 1.00 0.00 H new ATOM 186 N GLN A 19 -7.609 1.715 3.486 1.00 0.00 N ATOM 187 CA GLN A 19 -8.452 2.704 4.150 1.00 0.00 C ATOM 188 C GLN A 19 -9.672 3.035 3.296 1.00 0.00 C ATOM 189 O GLN A 19 -9.541 3.448 2.143 1.00 0.00 O ATOM 190 CB GLN A 19 -7.657 3.981 4.435 1.00 0.00 C ATOM 191 CG GLN A 19 -6.264 3.727 4.990 1.00 0.00 C ATOM 192 CD GLN A 19 -5.988 4.513 6.257 1.00 0.00 C ATOM 193 OE1 GLN A 19 -6.153 5.732 6.295 1.00 0.00 O ATOM 194 NE2 GLN A 19 -5.565 3.816 7.305 1.00 0.00 N ATOM 0 H GLN A 19 -7.469 1.884 2.490 1.00 0.00 H new ATOM 0 HA GLN A 19 -8.791 2.278 5.095 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -7.571 4.557 3.514 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -8.214 4.594 5.144 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -6.147 2.663 5.195 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -5.523 3.990 4.235 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -5.442 2.806 7.230 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -5.363 4.290 8.185 1.00 0.00 H new ATOM 203 N LEU A 20 -10.858 2.858 3.870 1.00 0.00 N ATOM 204 CA LEU A 20 -12.101 3.119 3.158 1.00 0.00 C ATOM 205 C LEU A 20 -12.369 4.611 3.010 1.00 0.00 C ATOM 206 O LEU A 20 -11.865 5.428 3.780 1.00 0.00 O ATOM 207 CB LEU A 20 -13.263 2.475 3.900 1.00 0.00 C ATOM 208 CG LEU A 20 -13.518 1.013 3.555 1.00 0.00 C ATOM 209 CD1 LEU A 20 -14.686 0.492 4.362 1.00 0.00 C ATOM 210 CD2 LEU A 20 -12.276 0.176 3.814 1.00 0.00 C ATOM 0 H LEU A 20 -10.983 2.534 4.829 1.00 0.00 H new ATOM 0 HA LEU A 20 -12.004 2.691 2.160 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -13.078 2.553 4.971 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -14.168 3.045 3.691 1.00 0.00 H new ATOM 0 HG LEU A 20 -13.760 0.940 2.495 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -14.864 -0.554 4.111 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -14.461 0.577 5.425 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -15.577 1.077 4.132 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -12.479 -0.865 3.561 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -11.454 0.545 3.200 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -12.002 0.247 4.867 1.00 0.00 H new ATOM 222 N ASP A 21 -13.207 4.949 2.036 1.00 0.00 N ATOM 223 CA ASP A 21 -13.604 6.331 1.800 1.00 0.00 C ATOM 224 C ASP A 21 -15.122 6.423 1.685 1.00 0.00 C ATOM 225 O ASP A 21 -15.666 6.565 0.590 1.00 0.00 O ATOM 226 CB ASP A 21 -12.949 6.868 0.527 1.00 0.00 C ATOM 227 CG ASP A 21 -12.550 8.325 0.652 1.00 0.00 C ATOM 228 OD1 ASP A 21 -11.679 8.631 1.493 1.00 0.00 O ATOM 229 OD2 ASP A 21 -13.110 9.159 -0.089 1.00 0.00 O ATOM 0 H ASP A 21 -13.627 4.278 1.393 1.00 0.00 H new ATOM 0 HA ASP A 21 -13.271 6.937 2.642 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -12.067 6.271 0.296 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -13.639 6.754 -0.309 1.00 0.00 H new ATOM 234 N ILE A 22 -15.799 6.311 2.823 1.00 0.00 N ATOM 235 CA ILE A 22 -17.256 6.341 2.856 1.00 0.00 C ATOM 236 C ILE A 22 -17.799 7.726 2.531 1.00 0.00 C ATOM 237 O ILE A 22 -17.964 8.565 3.417 1.00 0.00 O ATOM 238 CB ILE A 22 -17.793 5.901 4.232 1.00 0.00 C ATOM 239 CG1 ILE A 22 -17.262 4.512 4.587 1.00 0.00 C ATOM 240 CG2 ILE A 22 -19.315 5.908 4.241 1.00 0.00 C ATOM 241 CD1 ILE A 22 -17.694 4.032 5.954 1.00 0.00 C ATOM 0 H ILE A 22 -15.360 6.198 3.737 1.00 0.00 H new ATOM 0 HA ILE A 22 -17.598 5.641 2.094 1.00 0.00 H new ATOM 0 HB ILE A 22 -17.444 6.610 4.983 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -17.602 3.799 3.836 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -16.173 4.526 4.543 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -19.675 5.594 5.221 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -19.675 6.914 4.027 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -19.687 5.220 3.481 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -17.281 3.040 6.139 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -17.331 4.724 6.714 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -18.782 3.985 5.996 1.00 0.00 H new ATOM 253 N GLY A 23 -18.101 7.949 1.257 1.00 0.00 N ATOM 254 CA GLY A 23 -18.664 9.218 0.842 1.00 0.00 C ATOM 255 C GLY A 23 -20.178 9.168 0.765 1.00 0.00 C ATOM 256 O GLY A 23 -20.801 9.981 0.082 1.00 0.00 O ATOM 0 H GLY A 23 -17.966 7.273 0.505 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -18.362 9.996 1.543 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -18.260 9.493 -0.132 1.00 0.00 H new ATOM 260 N GLY A 24 -20.769 8.202 1.465 1.00 0.00 N ATOM 261 CA GLY A 24 -22.211 8.049 1.458 1.00 0.00 C ATOM 262 C GLY A 24 -22.629 6.613 1.698 1.00 0.00 C ATOM 263 O GLY A 24 -22.073 5.691 1.101 1.00 0.00 O ATOM 0 H GLY A 24 -20.271 7.521 2.038 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -22.647 8.687 2.226 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -22.607 8.387 0.500 1.00 0.00 H new ATOM 267 N VAL A 25 -23.596 6.415 2.587 1.00 0.00 N ATOM 268 CA VAL A 25 -24.066 5.074 2.912 1.00 0.00 C ATOM 269 C VAL A 25 -25.543 4.886 2.568 1.00 0.00 C ATOM 270 O VAL A 25 -26.138 3.867 2.917 1.00 0.00 O ATOM 271 CB VAL A 25 -23.854 4.754 4.403 1.00 0.00 C ATOM 272 CG1 VAL A 25 -22.376 4.547 4.698 1.00 0.00 C ATOM 273 CG2 VAL A 25 -24.429 5.860 5.275 1.00 0.00 C ATOM 0 H VAL A 25 -24.068 7.164 3.094 1.00 0.00 H new ATOM 0 HA VAL A 25 -23.476 4.387 2.305 1.00 0.00 H new ATOM 0 HB VAL A 25 -24.382 3.829 4.636 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -22.244 4.322 5.756 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -21.999 3.717 4.101 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -21.825 5.454 4.449 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -24.269 5.615 6.325 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -23.933 6.802 5.042 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -25.498 5.956 5.083 1.00 0.00 H new ATOM 283 N ASP A 26 -26.132 5.859 1.874 1.00 0.00 N ATOM 284 CA ASP A 26 -27.535 5.767 1.488 1.00 0.00 C ATOM 285 C ASP A 26 -27.718 4.779 0.347 1.00 0.00 C ATOM 286 O ASP A 26 -26.760 4.407 -0.329 1.00 0.00 O ATOM 287 CB ASP A 26 -28.078 7.134 1.079 1.00 0.00 C ATOM 288 CG ASP A 26 -29.582 7.127 0.890 1.00 0.00 C ATOM 289 OD1 ASP A 26 -30.305 7.429 1.863 1.00 0.00 O ATOM 290 OD2 ASP A 26 -30.038 6.819 -0.232 1.00 0.00 O ATOM 0 H ASP A 26 -25.662 6.712 1.571 1.00 0.00 H new ATOM 0 HA ASP A 26 -28.094 5.412 2.354 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -27.814 7.869 1.839 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -27.600 7.449 0.152 1.00 0.00 H new ATOM 295 N PHE A 27 -28.958 4.360 0.143 1.00 0.00 N ATOM 296 CA PHE A 27 -29.280 3.412 -0.917 1.00 0.00 C ATOM 297 C PHE A 27 -28.895 3.979 -2.275 1.00 0.00 C ATOM 298 O PHE A 27 -29.666 4.709 -2.899 1.00 0.00 O ATOM 299 CB PHE A 27 -30.769 3.066 -0.892 1.00 0.00 C ATOM 300 CG PHE A 27 -31.199 2.177 -2.025 1.00 0.00 C ATOM 301 CD1 PHE A 27 -30.356 1.188 -2.508 1.00 0.00 C ATOM 302 CD2 PHE A 27 -32.447 2.333 -2.607 1.00 0.00 C ATOM 303 CE1 PHE A 27 -30.751 0.371 -3.552 1.00 0.00 C ATOM 304 CE2 PHE A 27 -32.847 1.519 -3.650 1.00 0.00 C ATOM 305 CZ PHE A 27 -31.998 0.537 -4.123 1.00 0.00 C ATOM 0 H PHE A 27 -29.760 4.661 0.697 1.00 0.00 H new ATOM 0 HA PHE A 27 -28.708 2.500 -0.746 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -31.004 2.576 0.053 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -31.349 3.989 -0.925 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -29.380 1.054 -2.064 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -33.115 3.099 -2.241 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -30.085 -0.396 -3.920 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -33.822 1.650 -4.095 1.00 0.00 H new ATOM 0 HZ PHE A 27 -32.309 -0.100 -4.938 1.00 0.00 H new ATOM 315 N GLY A 28 -27.691 3.647 -2.719 1.00 0.00 N ATOM 316 CA GLY A 28 -27.202 4.147 -3.988 1.00 0.00 C ATOM 317 C GLY A 28 -25.844 4.814 -3.865 1.00 0.00 C ATOM 318 O GLY A 28 -25.230 5.167 -4.872 1.00 0.00 O ATOM 0 H GLY A 28 -27.042 3.038 -2.221 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -27.136 3.323 -4.698 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -27.919 4.861 -4.394 1.00 0.00 H new ATOM 322 N SER A 29 -25.371 4.993 -2.632 1.00 0.00 N ATOM 323 CA SER A 29 -24.076 5.614 -2.401 1.00 0.00 C ATOM 324 C SER A 29 -22.949 4.673 -2.809 1.00 0.00 C ATOM 325 O SER A 29 -23.191 3.520 -3.166 1.00 0.00 O ATOM 326 CB SER A 29 -23.928 5.999 -0.928 1.00 0.00 C ATOM 327 OG SER A 29 -25.162 6.442 -0.390 1.00 0.00 O ATOM 0 H SER A 29 -25.866 4.717 -1.784 1.00 0.00 H new ATOM 0 HA SER A 29 -24.015 6.515 -3.011 1.00 0.00 H new ATOM 0 HB2 SER A 29 -23.567 5.142 -0.359 1.00 0.00 H new ATOM 0 HB3 SER A 29 -23.181 6.786 -0.828 1.00 0.00 H new ATOM 0 HG SER A 29 -25.116 7.405 -0.216 1.00 0.00 H new ATOM 333 N SER A 30 -21.720 5.170 -2.755 1.00 0.00 N ATOM 334 CA SER A 30 -20.560 4.368 -3.121 1.00 0.00 C ATOM 335 C SER A 30 -19.367 4.696 -2.233 1.00 0.00 C ATOM 336 O SER A 30 -19.180 5.842 -1.825 1.00 0.00 O ATOM 337 CB SER A 30 -20.196 4.602 -4.589 1.00 0.00 C ATOM 338 OG SER A 30 -20.532 5.917 -4.994 1.00 0.00 O ATOM 0 H SER A 30 -21.501 6.122 -2.462 1.00 0.00 H new ATOM 0 HA SER A 30 -20.817 3.318 -2.978 1.00 0.00 H new ATOM 0 HB2 SER A 30 -19.129 4.435 -4.733 1.00 0.00 H new ATOM 0 HB3 SER A 30 -20.719 3.880 -5.216 1.00 0.00 H new ATOM 0 HG SER A 30 -20.288 6.042 -5.935 1.00 0.00 H new ATOM 344 N ILE A 31 -18.563 3.682 -1.938 1.00 0.00 N ATOM 345 CA ILE A 31 -17.383 3.859 -1.096 1.00 0.00 C ATOM 346 C ILE A 31 -16.110 3.782 -1.932 1.00 0.00 C ATOM 347 O ILE A 31 -16.134 3.315 -3.070 1.00 0.00 O ATOM 348 CB ILE A 31 -17.297 2.807 0.040 1.00 0.00 C ATOM 349 CG1 ILE A 31 -18.635 2.088 0.250 1.00 0.00 C ATOM 350 CG2 ILE A 31 -16.859 3.470 1.333 1.00 0.00 C ATOM 351 CD1 ILE A 31 -18.605 1.077 1.375 1.00 0.00 C ATOM 0 H ILE A 31 -18.705 2.728 -2.269 1.00 0.00 H new ATOM 0 HA ILE A 31 -17.478 4.845 -0.641 1.00 0.00 H new ATOM 0 HB ILE A 31 -16.559 2.061 -0.256 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -19.408 2.828 0.457 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -18.917 1.583 -0.674 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -16.802 2.722 2.124 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -15.879 3.927 1.194 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -17.581 4.238 1.611 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -19.584 0.607 1.468 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -17.855 0.316 1.160 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -18.354 1.580 2.309 1.00 0.00 H new ATOM 363 N THR A 32 -15.000 4.242 -1.363 1.00 0.00 N ATOM 364 CA THR A 32 -13.718 4.211 -2.059 1.00 0.00 C ATOM 365 C THR A 32 -12.658 3.514 -1.213 1.00 0.00 C ATOM 366 O THR A 32 -12.266 4.011 -0.158 1.00 0.00 O ATOM 367 CB THR A 32 -13.260 5.628 -2.406 1.00 0.00 C ATOM 368 OG1 THR A 32 -14.349 6.533 -2.354 1.00 0.00 O ATOM 369 CG2 THR A 32 -12.636 5.736 -3.780 1.00 0.00 C ATOM 0 H THR A 32 -14.962 4.640 -0.424 1.00 0.00 H new ATOM 0 HA THR A 32 -13.851 3.648 -2.983 1.00 0.00 H new ATOM 0 HB THR A 32 -12.503 5.878 -1.662 1.00 0.00 H new ATOM 0 HG1 THR A 32 -14.010 7.447 -2.258 1.00 0.00 H new ATOM 0 HG21 THR A 32 -12.333 6.767 -3.962 1.00 0.00 H new ATOM 0 HG22 THR A 32 -11.762 5.086 -3.835 1.00 0.00 H new ATOM 0 HG23 THR A 32 -13.362 5.432 -4.534 1.00 0.00 H new ATOM 377 N TYR A 33 -12.199 2.362 -1.687 1.00 0.00 N ATOM 378 CA TYR A 33 -11.193 1.584 -0.974 1.00 0.00 C ATOM 379 C TYR A 33 -9.782 1.954 -1.416 1.00 0.00 C ATOM 380 O TYR A 33 -9.518 2.137 -2.604 1.00 0.00 O ATOM 381 CB TYR A 33 -11.433 0.091 -1.198 1.00 0.00 C ATOM 382 CG TYR A 33 -12.430 -0.500 -0.234 1.00 0.00 C ATOM 383 CD1 TYR A 33 -12.004 -1.245 0.857 1.00 0.00 C ATOM 384 CD2 TYR A 33 -13.794 -0.290 -0.397 1.00 0.00 C ATOM 385 CE1 TYR A 33 -12.910 -1.786 1.748 1.00 0.00 C ATOM 386 CE2 TYR A 33 -14.705 -0.830 0.488 1.00 0.00 C ATOM 387 CZ TYR A 33 -14.258 -1.573 1.560 1.00 0.00 C ATOM 388 OH TYR A 33 -15.164 -2.109 2.444 1.00 0.00 O ATOM 0 H TYR A 33 -12.509 1.945 -2.565 1.00 0.00 H new ATOM 0 HA TYR A 33 -11.283 1.814 0.088 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -11.786 -0.065 -2.217 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -10.486 -0.441 -1.104 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -10.947 -1.404 1.012 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -14.146 0.304 -1.228 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -12.564 -2.372 2.587 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -15.763 -0.671 0.342 1.00 0.00 H new ATOM 0 HH TYR A 33 -14.726 -2.265 3.307 1.00 0.00 H new ATOM 398 N SER A 34 -8.878 2.050 -0.448 1.00 0.00 N ATOM 399 CA SER A 34 -7.485 2.382 -0.725 1.00 0.00 C ATOM 400 C SER A 34 -6.553 1.547 0.147 1.00 0.00 C ATOM 401 O SER A 34 -7.008 0.816 1.023 1.00 0.00 O ATOM 402 CB SER A 34 -7.234 3.871 -0.480 1.00 0.00 C ATOM 403 OG SER A 34 -7.272 4.602 -1.693 1.00 0.00 O ATOM 0 H SER A 34 -9.086 1.902 0.540 1.00 0.00 H new ATOM 0 HA SER A 34 -7.281 2.157 -1.772 1.00 0.00 H new ATOM 0 HB2 SER A 34 -7.985 4.261 0.207 1.00 0.00 H new ATOM 0 HB3 SER A 34 -6.264 4.005 -0.001 1.00 0.00 H new ATOM 0 HG SER A 34 -7.110 5.551 -1.508 1.00 0.00 H new ATOM 409 N CYS A 35 -5.251 1.661 -0.097 1.00 0.00 N ATOM 410 CA CYS A 35 -4.262 0.912 0.669 1.00 0.00 C ATOM 411 C CYS A 35 -3.757 1.727 1.856 1.00 0.00 C ATOM 412 O CYS A 35 -4.052 2.916 1.976 1.00 0.00 O ATOM 413 CB CYS A 35 -3.094 0.514 -0.230 1.00 0.00 C ATOM 414 SG CYS A 35 -3.194 -1.192 -0.862 1.00 0.00 S ATOM 0 H CYS A 35 -4.857 2.265 -0.819 1.00 0.00 H new ATOM 0 HA CYS A 35 -4.740 0.011 1.054 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -3.048 1.201 -1.075 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -2.164 0.631 0.327 1.00 0.00 H new ATOM 419 N ASN A 36 -3.010 1.072 2.742 1.00 0.00 N ATOM 420 CA ASN A 36 -2.487 1.732 3.934 1.00 0.00 C ATOM 421 C ASN A 36 -1.546 2.878 3.567 1.00 0.00 C ATOM 422 O ASN A 36 -1.960 4.036 3.502 1.00 0.00 O ATOM 423 CB ASN A 36 -1.760 0.720 4.824 1.00 0.00 C ATOM 424 CG ASN A 36 -2.538 0.391 6.083 1.00 0.00 C ATOM 425 OD1 ASN A 36 -1.977 0.340 7.178 1.00 0.00 O ATOM 426 ND2 ASN A 36 -3.838 0.165 5.934 1.00 0.00 N ATOM 0 H ASN A 36 -2.754 0.088 2.657 1.00 0.00 H new ATOM 0 HA ASN A 36 -3.331 2.150 4.482 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -1.585 -0.196 4.259 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -0.783 1.118 5.098 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -4.413 -0.061 6.746 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -4.262 0.218 5.008 1.00 0.00 H new ATOM 433 N SER A 37 -0.277 2.551 3.346 1.00 0.00 N ATOM 434 CA SER A 37 0.723 3.551 2.986 1.00 0.00 C ATOM 435 C SER A 37 1.907 2.889 2.298 1.00 0.00 C ATOM 436 O SER A 37 2.593 2.055 2.887 1.00 0.00 O ATOM 437 CB SER A 37 1.194 4.308 4.229 1.00 0.00 C ATOM 438 OG SER A 37 0.583 5.584 4.313 1.00 0.00 O ATOM 0 H SER A 37 0.084 1.599 3.410 1.00 0.00 H new ATOM 0 HA SER A 37 0.267 4.262 2.297 1.00 0.00 H new ATOM 0 HB2 SER A 37 0.958 3.729 5.122 1.00 0.00 H new ATOM 0 HB3 SER A 37 2.278 4.422 4.200 1.00 0.00 H new ATOM 0 HG SER A 37 -0.375 5.501 4.124 1.00 0.00 H new ATOM 444 N GLY A 38 2.125 3.244 1.037 1.00 0.00 N ATOM 445 CA GLY A 38 3.192 2.628 0.273 1.00 0.00 C ATOM 446 C GLY A 38 2.763 1.308 -0.349 1.00 0.00 C ATOM 447 O GLY A 38 3.495 0.725 -1.148 1.00 0.00 O ATOM 0 H GLY A 38 1.583 3.945 0.532 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.515 3.311 -0.513 1.00 0.00 H new ATOM 0 HA3 GLY A 38 4.051 2.460 0.922 1.00 0.00 H new ATOM 451 N TYR A 39 1.571 0.836 0.022 1.00 0.00 N ATOM 452 CA TYR A 39 1.036 -0.413 -0.502 1.00 0.00 C ATOM 453 C TYR A 39 0.387 -0.196 -1.861 1.00 0.00 C ATOM 454 O TYR A 39 0.269 0.935 -2.332 1.00 0.00 O ATOM 455 CB TYR A 39 -0.012 -0.972 0.464 1.00 0.00 C ATOM 456 CG TYR A 39 0.549 -1.857 1.550 1.00 0.00 C ATOM 457 CD1 TYR A 39 1.650 -1.463 2.296 1.00 0.00 C ATOM 458 CD2 TYR A 39 -0.044 -3.077 1.846 1.00 0.00 C ATOM 459 CE1 TYR A 39 2.158 -2.269 3.296 1.00 0.00 C ATOM 460 CE2 TYR A 39 0.459 -3.890 2.842 1.00 0.00 C ATOM 461 CZ TYR A 39 1.558 -3.480 3.567 1.00 0.00 C ATOM 462 OH TYR A 39 2.063 -4.287 4.560 1.00 0.00 O ATOM 0 H TYR A 39 0.958 1.307 0.688 1.00 0.00 H new ATOM 0 HA TYR A 39 1.861 -1.117 -0.610 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -0.541 -0.140 0.928 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -0.748 -1.539 -0.106 1.00 0.00 H new ATOM 0 HD1 TYR A 39 2.117 -0.511 2.092 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -0.912 -3.395 1.288 1.00 0.00 H new ATOM 0 HE1 TYR A 39 3.021 -1.952 3.863 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -0.006 -4.842 3.052 1.00 0.00 H new ATOM 0 HH TYR A 39 1.524 -5.103 4.624 1.00 0.00 H new ATOM 472 N HIS A 40 -0.068 -1.284 -2.469 1.00 0.00 N ATOM 473 CA HIS A 40 -0.786 -1.204 -3.732 1.00 0.00 C ATOM 474 C HIS A 40 -2.086 -1.987 -3.645 1.00 0.00 C ATOM 475 O HIS A 40 -2.106 -3.136 -3.204 1.00 0.00 O ATOM 476 CB HIS A 40 0.049 -1.711 -4.916 1.00 0.00 C ATOM 477 CG HIS A 40 1.273 -2.496 -4.547 1.00 0.00 C ATOM 478 ND1 HIS A 40 2.456 -2.410 -5.250 1.00 0.00 N ATOM 479 CD2 HIS A 40 1.486 -3.412 -3.571 1.00 0.00 C ATOM 480 CE1 HIS A 40 3.346 -3.226 -4.715 1.00 0.00 C ATOM 481 NE2 HIS A 40 2.783 -3.842 -3.693 1.00 0.00 N ATOM 0 H HIS A 40 0.048 -2.231 -2.108 1.00 0.00 H new ATOM 0 HA HIS A 40 -0.999 -0.150 -3.912 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -0.585 -2.334 -5.547 1.00 0.00 H new ATOM 0 HB3 HIS A 40 0.354 -0.855 -5.517 1.00 0.00 H new ATOM 0 HD1 HIS A 40 2.619 -1.809 -6.058 1.00 0.00 H new ATOM 0 HD2 HIS A 40 0.768 -3.742 -2.834 1.00 0.00 H new ATOM 0 HE1 HIS A 40 4.361 -3.365 -5.056 1.00 0.00 H new ATOM 490 N LEU A 41 -3.174 -1.341 -4.033 1.00 0.00 N ATOM 491 CA LEU A 41 -4.486 -1.966 -3.995 1.00 0.00 C ATOM 492 C LEU A 41 -4.818 -2.591 -5.341 1.00 0.00 C ATOM 493 O LEU A 41 -4.993 -1.888 -6.336 1.00 0.00 O ATOM 494 CB LEU A 41 -5.551 -0.938 -3.615 1.00 0.00 C ATOM 495 CG LEU A 41 -6.976 -1.485 -3.535 1.00 0.00 C ATOM 496 CD1 LEU A 41 -7.820 -0.634 -2.599 1.00 0.00 C ATOM 497 CD2 LEU A 41 -7.602 -1.543 -4.918 1.00 0.00 C ATOM 0 H LEU A 41 -3.174 -0.381 -4.379 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.472 -2.753 -3.241 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.289 -0.505 -2.649 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -5.529 -0.128 -4.344 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.936 -2.498 -3.135 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -8.832 -1.037 -2.553 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.380 -0.644 -1.602 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -7.854 0.390 -2.970 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -8.616 -1.935 -4.842 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -7.631 -0.541 -5.347 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -7.008 -2.195 -5.559 1.00 0.00 H new ATOM 509 N ILE A 42 -4.880 -3.916 -5.372 1.00 0.00 N ATOM 510 CA ILE A 42 -5.169 -4.630 -6.610 1.00 0.00 C ATOM 511 C ILE A 42 -6.669 -4.747 -6.833 1.00 0.00 C ATOM 512 O ILE A 42 -7.451 -4.798 -5.883 1.00 0.00 O ATOM 513 CB ILE A 42 -4.538 -6.039 -6.639 1.00 0.00 C ATOM 514 CG1 ILE A 42 -3.278 -6.095 -5.765 1.00 0.00 C ATOM 515 CG2 ILE A 42 -4.204 -6.430 -8.069 1.00 0.00 C ATOM 516 CD1 ILE A 42 -2.297 -4.977 -6.050 1.00 0.00 C ATOM 0 H ILE A 42 -4.735 -4.516 -4.560 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.723 -4.043 -7.413 1.00 0.00 H new ATOM 0 HB ILE A 42 -5.262 -6.747 -6.235 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -3.571 -6.053 -4.716 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -2.781 -7.053 -5.919 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -3.759 -7.425 -8.080 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -5.115 -6.433 -8.668 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -3.498 -5.713 -8.487 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.430 -5.078 -5.397 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -1.976 -5.031 -7.090 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -2.778 -4.016 -5.868 1.00 0.00 H new ATOM 528 N GLY A 43 -7.062 -4.771 -8.097 1.00 0.00 N ATOM 529 CA GLY A 43 -8.471 -4.856 -8.436 1.00 0.00 C ATOM 530 C GLY A 43 -9.163 -3.511 -8.341 1.00 0.00 C ATOM 531 O GLY A 43 -8.537 -2.472 -8.550 1.00 0.00 O ATOM 0 H GLY A 43 -6.431 -4.733 -8.897 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.577 -5.247 -9.448 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.962 -5.564 -7.768 1.00 0.00 H new ATOM 535 N GLU A 44 -10.453 -3.522 -8.015 1.00 0.00 N ATOM 536 CA GLU A 44 -11.208 -2.284 -7.882 1.00 0.00 C ATOM 537 C GLU A 44 -10.903 -1.604 -6.558 1.00 0.00 C ATOM 538 O GLU A 44 -10.177 -2.140 -5.722 1.00 0.00 O ATOM 539 CB GLU A 44 -12.710 -2.544 -7.983 1.00 0.00 C ATOM 540 CG GLU A 44 -13.232 -3.513 -6.939 1.00 0.00 C ATOM 541 CD GLU A 44 -14.498 -4.217 -7.384 1.00 0.00 C ATOM 542 OE1 GLU A 44 -15.456 -3.521 -7.781 1.00 0.00 O ATOM 543 OE2 GLU A 44 -14.531 -5.465 -7.337 1.00 0.00 O ATOM 0 H GLU A 44 -10.992 -4.370 -7.840 1.00 0.00 H new ATOM 0 HA GLU A 44 -10.906 -1.629 -8.699 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -13.241 -1.597 -7.885 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -12.936 -2.935 -8.975 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -12.464 -4.256 -6.721 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -13.426 -2.974 -6.012 1.00 0.00 H new ATOM 550 N SER A 45 -11.492 -0.433 -6.365 1.00 0.00 N ATOM 551 CA SER A 45 -11.286 0.341 -5.158 1.00 0.00 C ATOM 552 C SER A 45 -12.536 1.118 -4.790 1.00 0.00 C ATOM 553 O SER A 45 -12.458 2.179 -4.175 1.00 0.00 O ATOM 554 CB SER A 45 -10.137 1.315 -5.367 1.00 0.00 C ATOM 555 OG SER A 45 -10.147 1.845 -6.682 1.00 0.00 O ATOM 0 H SER A 45 -12.122 0.002 -7.039 1.00 0.00 H new ATOM 0 HA SER A 45 -11.051 -0.348 -4.347 1.00 0.00 H new ATOM 0 HB2 SER A 45 -10.209 2.128 -4.644 1.00 0.00 H new ATOM 0 HB3 SER A 45 -9.189 0.809 -5.183 1.00 0.00 H new ATOM 0 HG SER A 45 -9.399 2.469 -6.789 1.00 0.00 H new ATOM 561 N LYS A 46 -13.689 0.596 -5.175 1.00 0.00 N ATOM 562 CA LYS A 46 -14.942 1.276 -4.890 1.00 0.00 C ATOM 563 C LYS A 46 -16.093 0.302 -4.659 1.00 0.00 C ATOM 564 O LYS A 46 -16.250 -0.682 -5.383 1.00 0.00 O ATOM 565 CB LYS A 46 -15.288 2.227 -6.032 1.00 0.00 C ATOM 566 CG LYS A 46 -15.304 3.685 -5.613 1.00 0.00 C ATOM 567 CD LYS A 46 -15.052 4.610 -6.793 1.00 0.00 C ATOM 568 CE LYS A 46 -16.247 5.513 -7.056 1.00 0.00 C ATOM 569 NZ LYS A 46 -16.077 6.310 -8.302 1.00 0.00 N ATOM 0 H LYS A 46 -13.784 -0.285 -5.680 1.00 0.00 H new ATOM 0 HA LYS A 46 -14.803 1.838 -3.967 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -14.565 2.095 -6.837 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -16.265 1.961 -6.434 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -16.267 3.924 -5.162 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -14.544 3.853 -4.850 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -14.170 5.219 -6.597 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -14.839 4.017 -7.683 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -17.150 4.907 -7.133 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -16.386 6.187 -6.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -16.913 6.912 -8.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -15.230 6.907 -8.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -15.970 5.668 -9.113 1.00 0.00 H new ATOM 583 N SER A 47 -16.911 0.613 -3.658 1.00 0.00 N ATOM 584 CA SER A 47 -18.083 -0.190 -3.327 1.00 0.00 C ATOM 585 C SER A 47 -19.348 0.576 -3.664 1.00 0.00 C ATOM 586 O SER A 47 -19.323 1.802 -3.768 1.00 0.00 O ATOM 587 CB SER A 47 -18.078 -0.542 -1.841 1.00 0.00 C ATOM 588 OG SER A 47 -17.073 0.178 -1.155 1.00 0.00 O ATOM 0 H SER A 47 -16.781 1.426 -3.056 1.00 0.00 H new ATOM 0 HA SER A 47 -18.053 -1.110 -3.911 1.00 0.00 H new ATOM 0 HB2 SER A 47 -19.052 -0.318 -1.407 1.00 0.00 H new ATOM 0 HB3 SER A 47 -17.913 -1.612 -1.717 1.00 0.00 H new ATOM 0 HG SER A 47 -16.191 -0.147 -1.432 1.00 0.00 H new ATOM 594 N TYR A 48 -20.460 -0.131 -3.824 1.00 0.00 N ATOM 595 CA TYR A 48 -21.710 0.556 -4.168 1.00 0.00 C ATOM 596 C TYR A 48 -22.884 0.075 -3.331 1.00 0.00 C ATOM 597 O TYR A 48 -23.261 -1.095 -3.370 1.00 0.00 O ATOM 598 CB TYR A 48 -22.021 0.419 -5.662 1.00 0.00 C ATOM 599 CG TYR A 48 -20.782 0.313 -6.514 1.00 0.00 C ATOM 600 CD1 TYR A 48 -20.519 -0.825 -7.262 1.00 0.00 C ATOM 601 CD2 TYR A 48 -19.849 1.338 -6.524 1.00 0.00 C ATOM 602 CE1 TYR A 48 -19.373 -0.928 -8.023 1.00 0.00 C ATOM 603 CE2 TYR A 48 -18.698 1.246 -7.282 1.00 0.00 C ATOM 604 CZ TYR A 48 -18.464 0.111 -8.031 1.00 0.00 C ATOM 605 OH TYR A 48 -17.319 0.013 -8.789 1.00 0.00 O ATOM 0 H TYR A 48 -20.529 -1.144 -3.727 1.00 0.00 H new ATOM 0 HA TYR A 48 -21.561 1.611 -3.939 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -22.640 -0.464 -5.819 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -22.606 1.280 -5.986 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -21.223 -1.644 -7.248 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -20.025 2.223 -5.930 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -19.188 -1.816 -8.609 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -17.985 2.058 -7.288 1.00 0.00 H new ATOM 0 HH TYR A 48 -16.787 0.829 -8.685 1.00 0.00 H new ATOM 615 N CYS A 49 -23.467 1.007 -2.585 1.00 0.00 N ATOM 616 CA CYS A 49 -24.621 0.706 -1.748 1.00 0.00 C ATOM 617 C CYS A 49 -25.837 0.431 -2.609 1.00 0.00 C ATOM 618 O CYS A 49 -26.637 1.324 -2.888 1.00 0.00 O ATOM 619 CB CYS A 49 -24.916 1.854 -0.789 1.00 0.00 C ATOM 620 SG CYS A 49 -26.437 1.628 0.187 1.00 0.00 S ATOM 0 H CYS A 49 -23.158 1.978 -2.543 1.00 0.00 H new ATOM 0 HA CYS A 49 -24.388 -0.183 -1.161 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -24.073 1.971 -0.108 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -24.996 2.779 -1.359 1.00 0.00 H new ATOM 625 N GLU A 50 -25.951 -0.807 -3.046 1.00 0.00 N ATOM 626 CA GLU A 50 -27.059 -1.213 -3.898 1.00 0.00 C ATOM 627 C GLU A 50 -28.014 -2.123 -3.134 1.00 0.00 C ATOM 628 O GLU A 50 -27.761 -2.490 -1.989 1.00 0.00 O ATOM 629 CB GLU A 50 -26.515 -1.874 -5.184 1.00 0.00 C ATOM 630 CG GLU A 50 -27.307 -3.059 -5.731 1.00 0.00 C ATOM 631 CD GLU A 50 -26.518 -3.874 -6.735 1.00 0.00 C ATOM 632 OE1 GLU A 50 -26.319 -3.390 -7.869 1.00 0.00 O ATOM 633 OE2 GLU A 50 -26.095 -4.997 -6.387 1.00 0.00 O ATOM 0 H GLU A 50 -25.291 -1.553 -2.827 1.00 0.00 H new ATOM 0 HA GLU A 50 -27.632 -0.335 -4.197 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -26.461 -1.112 -5.962 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -25.495 -2.206 -4.991 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -27.609 -3.702 -4.904 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -28.220 -2.695 -6.202 1.00 0.00 H new ATOM 640 N LEU A 51 -29.124 -2.447 -3.772 1.00 0.00 N ATOM 641 CA LEU A 51 -30.141 -3.297 -3.166 1.00 0.00 C ATOM 642 C LEU A 51 -29.838 -4.771 -3.406 1.00 0.00 C ATOM 643 O LEU A 51 -29.149 -5.127 -4.362 1.00 0.00 O ATOM 644 CB LEU A 51 -31.520 -2.951 -3.727 1.00 0.00 C ATOM 645 CG LEU A 51 -31.735 -3.358 -5.182 1.00 0.00 C ATOM 646 CD1 LEU A 51 -31.669 -2.142 -6.093 1.00 0.00 C ATOM 647 CD2 LEU A 51 -33.064 -4.079 -5.343 1.00 0.00 C ATOM 0 H LEU A 51 -29.348 -2.133 -4.716 1.00 0.00 H new ATOM 0 HA LEU A 51 -30.135 -3.117 -2.091 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -32.279 -3.434 -3.112 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -31.675 -1.876 -3.638 1.00 0.00 H new ATOM 0 HG LEU A 51 -30.937 -4.043 -5.469 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -31.825 -2.453 -7.126 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -32.444 -1.431 -5.807 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -30.691 -1.670 -5.999 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -33.200 -4.362 -6.387 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -33.070 -4.974 -4.721 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -33.876 -3.419 -5.037 1.00 0.00 H new ATOM 709 N MET A 57 -30.905 -3.839 1.177 1.00 0.00 N ATOM 710 CA MET A 57 -29.773 -2.953 0.939 1.00 0.00 C ATOM 711 C MET A 57 -28.460 -3.680 1.200 1.00 0.00 C ATOM 712 O MET A 57 -28.205 -4.150 2.309 1.00 0.00 O ATOM 713 CB MET A 57 -29.859 -1.707 1.825 1.00 0.00 C ATOM 714 CG MET A 57 -31.271 -1.175 2.016 1.00 0.00 C ATOM 715 SD MET A 57 -31.701 0.103 0.819 1.00 0.00 S ATOM 716 CE MET A 57 -33.343 -0.427 0.335 1.00 0.00 C ATOM 0 HA MET A 57 -29.806 -2.642 -0.105 1.00 0.00 H new ATOM 0 HB2 MET A 57 -29.435 -1.939 2.802 1.00 0.00 H new ATOM 0 HB3 MET A 57 -29.242 -0.921 1.389 1.00 0.00 H new ATOM 0 HG2 MET A 57 -31.980 -1.999 1.932 1.00 0.00 H new ATOM 0 HG3 MET A 57 -31.370 -0.771 3.024 1.00 0.00 H new ATOM 0 HE1 MET A 57 -33.745 0.265 -0.405 1.00 0.00 H new ATOM 0 HE2 MET A 57 -33.291 -1.427 -0.095 1.00 0.00 H new ATOM 0 HE3 MET A 57 -33.993 -0.442 1.210 1.00 0.00 H new ATOM 726 N VAL A 58 -27.635 -3.771 0.168 1.00 0.00 N ATOM 727 CA VAL A 58 -26.346 -4.438 0.270 1.00 0.00 C ATOM 728 C VAL A 58 -25.229 -3.525 -0.217 1.00 0.00 C ATOM 729 O VAL A 58 -25.481 -2.411 -0.678 1.00 0.00 O ATOM 730 CB VAL A 58 -26.322 -5.744 -0.542 1.00 0.00 C ATOM 731 CG1 VAL A 58 -26.931 -6.884 0.260 1.00 0.00 C ATOM 732 CG2 VAL A 58 -27.055 -5.558 -1.859 1.00 0.00 C ATOM 0 H VAL A 58 -27.837 -3.388 -0.756 1.00 0.00 H new ATOM 0 HA VAL A 58 -26.189 -4.677 1.322 1.00 0.00 H new ATOM 0 HB VAL A 58 -25.285 -6.000 -0.759 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -26.905 -7.799 -0.331 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -26.361 -7.028 1.178 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -27.964 -6.642 0.509 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -27.030 -6.490 -2.424 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -28.090 -5.280 -1.663 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -26.571 -4.771 -2.437 1.00 0.00 H new ATOM 742 N TRP A 59 -23.997 -4.003 -0.118 1.00 0.00 N ATOM 743 CA TRP A 59 -22.844 -3.216 -0.528 1.00 0.00 C ATOM 744 C TRP A 59 -22.084 -3.883 -1.668 1.00 0.00 C ATOM 745 O TRP A 59 -21.590 -5.001 -1.529 1.00 0.00 O ATOM 746 CB TRP A 59 -21.908 -3.011 0.660 1.00 0.00 C ATOM 747 CG TRP A 59 -22.322 -1.886 1.552 1.00 0.00 C ATOM 748 CD1 TRP A 59 -22.931 -1.988 2.768 1.00 0.00 C ATOM 749 CD2 TRP A 59 -22.153 -0.489 1.301 1.00 0.00 C ATOM 750 NE1 TRP A 59 -23.147 -0.736 3.294 1.00 0.00 N ATOM 751 CE2 TRP A 59 -22.681 0.202 2.407 1.00 0.00 C ATOM 752 CE3 TRP A 59 -21.604 0.246 0.246 1.00 0.00 C ATOM 753 CZ2 TRP A 59 -22.676 1.593 2.486 1.00 0.00 C ATOM 754 CZ3 TRP A 59 -21.600 1.623 0.326 1.00 0.00 C ATOM 755 CH2 TRP A 59 -22.131 2.283 1.436 1.00 0.00 C ATOM 0 H TRP A 59 -23.771 -4.930 0.242 1.00 0.00 H new ATOM 0 HA TRP A 59 -23.209 -2.253 -0.884 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -21.866 -3.931 1.243 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -20.900 -2.821 0.291 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -23.204 -2.916 3.248 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -23.582 -0.537 4.195 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -21.190 -0.256 -0.616 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -23.086 2.107 3.342 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -21.179 2.201 -0.484 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -22.111 3.362 1.467 1.00 0.00 H new ATOM 766 N ASN A 60 -21.970 -3.174 -2.786 1.00 0.00 N ATOM 767 CA ASN A 60 -21.232 -3.677 -3.935 1.00 0.00 C ATOM 768 C ASN A 60 -19.740 -3.692 -3.630 1.00 0.00 C ATOM 769 O ASN A 60 -19.309 -3.063 -2.665 1.00 0.00 O ATOM 770 CB ASN A 60 -21.521 -2.828 -5.166 1.00 0.00 C ATOM 771 CG ASN A 60 -22.596 -3.432 -6.040 1.00 0.00 C ATOM 772 OD1 ASN A 60 -22.525 -3.374 -7.267 1.00 0.00 O ATOM 773 ND2 ASN A 60 -23.590 -4.036 -5.412 1.00 0.00 N ATOM 0 H ASN A 60 -22.380 -2.250 -2.919 1.00 0.00 H new ATOM 0 HA ASN A 60 -21.555 -4.697 -4.142 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -21.829 -1.830 -4.853 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -20.606 -2.711 -5.747 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -24.338 -4.478 -5.947 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -23.609 -4.060 -4.392 1.00 0.00 H new ATOM 780 N PRO A 61 -18.953 -4.446 -4.433 1.00 0.00 N ATOM 781 CA PRO A 61 -17.512 -4.629 -4.280 1.00 0.00 C ATOM 782 C PRO A 61 -16.831 -3.606 -3.380 1.00 0.00 C ATOM 783 O PRO A 61 -16.458 -2.521 -3.819 1.00 0.00 O ATOM 784 CB PRO A 61 -17.044 -4.511 -5.727 1.00 0.00 C ATOM 785 CG PRO A 61 -18.204 -5.005 -6.555 1.00 0.00 C ATOM 786 CD PRO A 61 -19.394 -5.158 -5.629 1.00 0.00 C ATOM 0 HA PRO A 61 -17.262 -5.567 -3.784 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -16.791 -3.481 -5.977 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -16.150 -5.110 -5.903 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -18.430 -4.301 -7.356 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -17.960 -5.957 -7.026 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -20.298 -4.720 -6.053 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -19.615 -6.205 -5.421 1.00 0.00 H new ATOM 794 N GLU A 62 -16.624 -3.996 -2.125 1.00 0.00 N ATOM 795 CA GLU A 62 -16.018 -3.119 -1.138 1.00 0.00 C ATOM 796 C GLU A 62 -14.523 -3.394 -0.956 1.00 0.00 C ATOM 797 O GLU A 62 -13.697 -2.686 -1.524 1.00 0.00 O ATOM 798 CB GLU A 62 -16.772 -3.235 0.193 1.00 0.00 C ATOM 799 CG GLU A 62 -18.280 -3.338 0.033 1.00 0.00 C ATOM 800 CD GLU A 62 -18.954 -3.952 1.245 1.00 0.00 C ATOM 801 OE1 GLU A 62 -19.032 -3.272 2.290 1.00 0.00 O ATOM 802 OE2 GLU A 62 -19.406 -5.112 1.148 1.00 0.00 O ATOM 0 H GLU A 62 -16.870 -4.920 -1.770 1.00 0.00 H new ATOM 0 HA GLU A 62 -16.099 -2.095 -1.504 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -16.411 -4.113 0.730 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -16.539 -2.367 0.809 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -18.692 -2.344 -0.143 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -18.508 -3.938 -0.848 1.00 0.00 H new ATOM 809 N ALA A 63 -14.173 -4.404 -0.160 1.00 0.00 N ATOM 810 CA ALA A 63 -12.771 -4.693 0.135 1.00 0.00 C ATOM 811 C ALA A 63 -12.051 -5.371 -1.031 1.00 0.00 C ATOM 812 O ALA A 63 -12.253 -6.559 -1.284 1.00 0.00 O ATOM 813 CB ALA A 63 -12.672 -5.564 1.378 1.00 0.00 C ATOM 0 H ALA A 63 -14.838 -5.033 0.290 1.00 0.00 H new ATOM 0 HA ALA A 63 -12.277 -3.737 0.307 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -11.624 -5.775 1.592 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -13.117 -5.041 2.225 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -13.204 -6.500 1.209 1.00 0.00 H new ATOM 819 N PRO A 64 -11.144 -4.646 -1.716 1.00 0.00 N ATOM 820 CA PRO A 64 -10.345 -5.191 -2.807 1.00 0.00 C ATOM 821 C PRO A 64 -9.090 -5.876 -2.272 1.00 0.00 C ATOM 822 O PRO A 64 -9.056 -6.295 -1.116 1.00 0.00 O ATOM 823 CB PRO A 64 -9.972 -3.945 -3.635 1.00 0.00 C ATOM 824 CG PRO A 64 -10.539 -2.771 -2.892 1.00 0.00 C ATOM 825 CD PRO A 64 -10.798 -3.243 -1.491 1.00 0.00 C ATOM 0 HA PRO A 64 -10.877 -5.946 -3.386 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -8.891 -3.855 -3.740 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -10.386 -4.007 -4.641 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -9.841 -1.934 -2.897 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -11.459 -2.422 -3.361 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -9.921 -3.134 -0.853 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -11.609 -2.691 -1.016 1.00 0.00 H new ATOM 833 N ILE A 65 -8.049 -5.958 -3.094 1.00 0.00 N ATOM 834 CA ILE A 65 -6.799 -6.567 -2.662 1.00 0.00 C ATOM 835 C ILE A 65 -5.805 -5.503 -2.221 1.00 0.00 C ATOM 836 O ILE A 65 -5.935 -4.331 -2.568 1.00 0.00 O ATOM 837 CB ILE A 65 -6.148 -7.418 -3.763 1.00 0.00 C ATOM 838 CG1 ILE A 65 -7.211 -8.074 -4.647 1.00 0.00 C ATOM 839 CG2 ILE A 65 -5.243 -8.469 -3.145 1.00 0.00 C ATOM 840 CD1 ILE A 65 -7.925 -9.234 -3.986 1.00 0.00 C ATOM 0 H ILE A 65 -8.046 -5.614 -4.054 1.00 0.00 H new ATOM 0 HA ILE A 65 -7.052 -7.219 -1.826 1.00 0.00 H new ATOM 0 HB ILE A 65 -5.545 -6.764 -4.393 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -7.947 -7.322 -4.933 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -6.740 -8.425 -5.565 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -4.787 -9.066 -3.935 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -4.462 -7.980 -2.563 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.830 -9.116 -2.493 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -8.663 -9.647 -4.674 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -7.201 -10.006 -3.725 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -8.426 -8.886 -3.083 1.00 0.00 H new ATOM 852 N CYS A 66 -4.808 -5.926 -1.461 1.00 0.00 N ATOM 853 CA CYS A 66 -3.785 -5.016 -0.968 1.00 0.00 C ATOM 854 C CYS A 66 -2.484 -5.758 -0.696 1.00 0.00 C ATOM 855 O CYS A 66 -2.486 -6.866 -0.159 1.00 0.00 O ATOM 856 CB CYS A 66 -4.263 -4.319 0.307 1.00 0.00 C ATOM 857 SG CYS A 66 -4.549 -2.530 0.115 1.00 0.00 S ATOM 0 H CYS A 66 -4.685 -6.896 -1.171 1.00 0.00 H new ATOM 0 HA CYS A 66 -3.601 -4.266 -1.737 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -5.188 -4.790 0.641 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -3.524 -4.476 1.093 1.00 0.00 H new ATOM 862 N GLU A 67 -1.374 -5.139 -1.072 1.00 0.00 N ATOM 863 CA GLU A 67 -0.060 -5.727 -0.867 1.00 0.00 C ATOM 864 C GLU A 67 0.959 -4.645 -0.541 1.00 0.00 C ATOM 865 O GLU A 67 0.682 -3.455 -0.694 1.00 0.00 O ATOM 866 CB GLU A 67 0.377 -6.501 -2.113 1.00 0.00 C ATOM 867 CG GLU A 67 0.881 -7.903 -1.814 1.00 0.00 C ATOM 868 CD GLU A 67 -0.232 -8.933 -1.799 1.00 0.00 C ATOM 869 OE1 GLU A 67 -0.343 -9.702 -2.777 1.00 0.00 O ATOM 870 OE2 GLU A 67 -0.993 -8.970 -0.809 1.00 0.00 O ATOM 0 H GLU A 67 -1.359 -4.224 -1.523 1.00 0.00 H new ATOM 0 HA GLU A 67 -0.118 -6.419 -0.027 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -0.464 -6.566 -2.803 1.00 0.00 H new ATOM 0 HB3 GLU A 67 1.163 -5.942 -2.620 1.00 0.00 H new ATOM 0 HG2 GLU A 67 1.622 -8.186 -2.562 1.00 0.00 H new ATOM 0 HG3 GLU A 67 1.386 -7.905 -0.848 1.00 0.00 H new ATOM 877 N SER A 68 2.135 -5.056 -0.090 1.00 0.00 N ATOM 878 CA SER A 68 3.176 -4.105 0.264 1.00 0.00 C ATOM 879 C SER A 68 4.315 -4.121 -0.748 1.00 0.00 C ATOM 880 O SER A 68 4.998 -5.130 -0.921 1.00 0.00 O ATOM 881 CB SER A 68 3.713 -4.404 1.668 1.00 0.00 C ATOM 882 OG SER A 68 4.887 -5.198 1.616 1.00 0.00 O ATOM 0 H SER A 68 2.390 -6.035 0.039 1.00 0.00 H new ATOM 0 HA SER A 68 2.734 -3.109 0.254 1.00 0.00 H new ATOM 0 HB2 SER A 68 3.928 -3.468 2.184 1.00 0.00 H new ATOM 0 HB3 SER A 68 2.949 -4.920 2.249 1.00 0.00 H new ATOM 0 HG SER A 68 4.951 -5.630 0.739 1.00 0.00 H new ATOM 888 N VAL A 69 4.527 -2.979 -1.390 1.00 0.00 N ATOM 889 CA VAL A 69 5.587 -2.829 -2.378 1.00 0.00 C ATOM 890 C VAL A 69 6.908 -3.397 -1.865 1.00 0.00 C ATOM 891 O VAL A 69 7.641 -2.733 -1.132 1.00 0.00 O ATOM 892 CB VAL A 69 5.788 -1.350 -2.751 1.00 0.00 C ATOM 893 CG1 VAL A 69 5.913 -0.499 -1.499 1.00 0.00 C ATOM 894 CG2 VAL A 69 4.645 -0.858 -3.624 1.00 0.00 C ATOM 0 H VAL A 69 3.973 -2.136 -1.242 1.00 0.00 H new ATOM 0 HA VAL A 69 5.279 -3.386 -3.263 1.00 0.00 H new ATOM 0 HB VAL A 69 6.713 -1.260 -3.320 1.00 0.00 H new ATOM 0 HG11 VAL A 69 6.055 0.544 -1.781 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.006 -0.594 -0.903 1.00 0.00 H new ATOM 0 HG13 VAL A 69 6.769 -0.836 -0.914 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.806 0.190 -3.877 1.00 0.00 H new ATOM 0 HG22 VAL A 69 4.605 -1.450 -4.538 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.704 -0.961 -3.083 1.00 0.00 H new ATOM 904 N LYS A 70 7.205 -4.631 -2.255 1.00 0.00 N ATOM 905 CA LYS A 70 8.429 -5.296 -1.822 1.00 0.00 C ATOM 906 C LYS A 70 9.639 -4.818 -2.620 1.00 0.00 C ATOM 907 O LYS A 70 9.614 -4.788 -3.851 1.00 0.00 O ATOM 908 CB LYS A 70 8.286 -6.814 -1.962 1.00 0.00 C ATOM 909 CG LYS A 70 7.818 -7.503 -0.691 1.00 0.00 C ATOM 910 CD LYS A 70 8.969 -8.183 0.032 1.00 0.00 C ATOM 911 CE LYS A 70 8.617 -8.485 1.480 1.00 0.00 C ATOM 912 NZ LYS A 70 8.792 -9.927 1.806 1.00 0.00 N ATOM 0 H LYS A 70 6.615 -5.192 -2.870 1.00 0.00 H new ATOM 0 HA LYS A 70 8.590 -5.040 -0.775 1.00 0.00 H new ATOM 0 HB2 LYS A 70 7.580 -7.031 -2.764 1.00 0.00 H new ATOM 0 HB3 LYS A 70 9.246 -7.235 -2.260 1.00 0.00 H new ATOM 0 HG2 LYS A 70 7.353 -6.772 -0.030 1.00 0.00 H new ATOM 0 HG3 LYS A 70 7.055 -8.241 -0.936 1.00 0.00 H new ATOM 0 HD2 LYS A 70 9.226 -9.109 -0.482 1.00 0.00 H new ATOM 0 HD3 LYS A 70 9.851 -7.543 -0.003 1.00 0.00 H new ATOM 0 HE2 LYS A 70 9.245 -7.885 2.139 1.00 0.00 H new ATOM 0 HE3 LYS A 70 7.584 -8.193 1.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 8.542 -10.091 2.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 8.174 -10.498 1.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 9.783 -10.201 1.649 1.00 0.00 H new ATOM 926 N CYS A 71 10.705 -4.464 -1.906 1.00 0.00 N ATOM 927 CA CYS A 71 11.945 -4.017 -2.535 1.00 0.00 C ATOM 928 C CYS A 71 13.058 -5.023 -2.264 1.00 0.00 C ATOM 929 O CYS A 71 13.419 -5.264 -1.112 1.00 0.00 O ATOM 930 CB CYS A 71 12.375 -2.627 -2.029 1.00 0.00 C ATOM 931 SG CYS A 71 11.237 -1.827 -0.843 1.00 0.00 S ATOM 0 H CYS A 71 10.734 -4.478 -0.887 1.00 0.00 H new ATOM 0 HA CYS A 71 11.762 -3.944 -3.607 1.00 0.00 H new ATOM 0 HB2 CYS A 71 13.354 -2.719 -1.559 1.00 0.00 H new ATOM 0 HB3 CYS A 71 12.495 -1.969 -2.889 1.00 0.00 H new ATOM 936 N GLN A 72 13.587 -5.619 -3.324 1.00 0.00 N ATOM 937 CA GLN A 72 14.649 -6.606 -3.187 1.00 0.00 C ATOM 938 C GLN A 72 15.954 -5.947 -2.770 1.00 0.00 C ATOM 939 O GLN A 72 15.971 -4.808 -2.303 1.00 0.00 O ATOM 940 CB GLN A 72 14.816 -7.403 -4.494 1.00 0.00 C ATOM 941 CG GLN A 72 15.803 -6.810 -5.494 1.00 0.00 C ATOM 942 CD GLN A 72 15.239 -6.739 -6.899 1.00 0.00 C ATOM 943 OE1 GLN A 72 15.534 -7.586 -7.743 1.00 0.00 O ATOM 944 NE2 GLN A 72 14.421 -5.725 -7.158 1.00 0.00 N ATOM 0 H GLN A 72 13.299 -5.437 -4.285 1.00 0.00 H new ATOM 0 HA GLN A 72 14.369 -7.305 -2.399 1.00 0.00 H new ATOM 0 HB2 GLN A 72 15.138 -8.414 -4.246 1.00 0.00 H new ATOM 0 HB3 GLN A 72 13.842 -7.488 -4.976 1.00 0.00 H new ATOM 0 HG2 GLN A 72 16.086 -5.809 -5.169 1.00 0.00 H new ATOM 0 HG3 GLN A 72 16.712 -7.411 -5.502 1.00 0.00 H new ATOM 0 HE21 GLN A 72 14.204 -5.046 -6.429 1.00 0.00 H new ATOM 0 HE22 GLN A 72 14.010 -5.626 -8.086 1.00 0.00 H new ATOM 953 N SER A 73 17.043 -6.680 -2.940 1.00 0.00 N ATOM 954 CA SER A 73 18.360 -6.207 -2.617 1.00 0.00 C ATOM 955 C SER A 73 18.562 -4.747 -3.035 1.00 0.00 C ATOM 956 O SER A 73 18.213 -4.363 -4.152 1.00 0.00 O ATOM 957 CB SER A 73 19.354 -7.103 -3.337 1.00 0.00 C ATOM 958 OG SER A 73 18.702 -8.060 -4.157 1.00 0.00 O ATOM 0 H SER A 73 17.026 -7.630 -3.311 1.00 0.00 H new ATOM 0 HA SER A 73 18.506 -6.245 -1.537 1.00 0.00 H new ATOM 0 HB2 SER A 73 20.018 -6.492 -3.949 1.00 0.00 H new ATOM 0 HB3 SER A 73 19.978 -7.616 -2.605 1.00 0.00 H new ATOM 0 HG SER A 73 19.372 -8.617 -4.605 1.00 0.00 H new ATOM 964 N PRO A 74 19.117 -3.909 -2.141 1.00 0.00 N ATOM 965 CA PRO A 74 19.348 -2.491 -2.434 1.00 0.00 C ATOM 966 C PRO A 74 20.292 -2.294 -3.620 1.00 0.00 C ATOM 967 O PRO A 74 21.059 -3.192 -3.970 1.00 0.00 O ATOM 968 CB PRO A 74 19.970 -1.941 -1.144 1.00 0.00 C ATOM 969 CG PRO A 74 19.642 -2.944 -0.090 1.00 0.00 C ATOM 970 CD PRO A 74 19.561 -4.270 -0.785 1.00 0.00 C ATOM 0 HA PRO A 74 18.427 -1.981 -2.716 1.00 0.00 H new ATOM 0 HB2 PRO A 74 21.048 -1.818 -1.248 1.00 0.00 H new ATOM 0 HB3 PRO A 74 19.560 -0.962 -0.896 1.00 0.00 H new ATOM 0 HG2 PRO A 74 20.407 -2.957 0.686 1.00 0.00 H new ATOM 0 HG3 PRO A 74 18.698 -2.702 0.398 1.00 0.00 H new ATOM 0 HD2 PRO A 74 20.525 -4.778 -0.798 1.00 0.00 H new ATOM 0 HD3 PRO A 74 18.855 -4.940 -0.294 1.00 0.00 H new ATOM 978 N PRO A 75 20.236 -1.116 -4.265 1.00 0.00 N ATOM 979 CA PRO A 75 21.069 -0.806 -5.431 1.00 0.00 C ATOM 980 C PRO A 75 22.526 -1.217 -5.257 1.00 0.00 C ATOM 981 O PRO A 75 23.019 -1.355 -4.138 1.00 0.00 O ATOM 982 CB PRO A 75 20.952 0.712 -5.541 1.00 0.00 C ATOM 983 CG PRO A 75 19.598 1.018 -5.002 1.00 0.00 C ATOM 984 CD PRO A 75 19.338 0.004 -3.918 1.00 0.00 C ATOM 0 HA PRO A 75 20.740 -1.349 -6.317 1.00 0.00 H new ATOM 0 HB2 PRO A 75 21.731 1.213 -4.967 1.00 0.00 H new ATOM 0 HB3 PRO A 75 21.053 1.045 -6.574 1.00 0.00 H new ATOM 0 HG2 PRO A 75 19.557 2.032 -4.604 1.00 0.00 H new ATOM 0 HG3 PRO A 75 18.843 0.952 -5.786 1.00 0.00 H new ATOM 0 HD2 PRO A 75 19.563 0.407 -2.930 1.00 0.00 H new ATOM 0 HD3 PRO A 75 18.294 -0.309 -3.904 1.00 0.00 H new ATOM 992 N SER A 76 23.206 -1.412 -6.383 1.00 0.00 N ATOM 993 CA SER A 76 24.612 -1.791 -6.377 1.00 0.00 C ATOM 994 C SER A 76 25.486 -0.602 -6.758 1.00 0.00 C ATOM 995 O SER A 76 25.737 -0.354 -7.937 1.00 0.00 O ATOM 996 CB SER A 76 24.854 -2.952 -7.344 1.00 0.00 C ATOM 997 OG SER A 76 26.175 -3.450 -7.226 1.00 0.00 O ATOM 0 H SER A 76 22.802 -1.313 -7.314 1.00 0.00 H new ATOM 0 HA SER A 76 24.878 -2.111 -5.370 1.00 0.00 H new ATOM 0 HB2 SER A 76 24.142 -3.752 -7.142 1.00 0.00 H new ATOM 0 HB3 SER A 76 24.678 -2.619 -8.367 1.00 0.00 H new ATOM 0 HG SER A 76 26.302 -4.192 -7.854 1.00 0.00 H new ATOM 1003 N ILE A 77 25.956 0.121 -5.749 1.00 0.00 N ATOM 1004 CA ILE A 77 26.780 1.305 -5.972 1.00 0.00 C ATOM 1005 C ILE A 77 28.148 0.938 -6.530 1.00 0.00 C ATOM 1006 O ILE A 77 28.473 -0.239 -6.688 1.00 0.00 O ATOM 1007 CB ILE A 77 26.977 2.105 -4.669 1.00 0.00 C ATOM 1008 CG1 ILE A 77 27.782 1.289 -3.652 1.00 0.00 C ATOM 1009 CG2 ILE A 77 25.630 2.503 -4.088 1.00 0.00 C ATOM 1010 CD1 ILE A 77 28.379 2.128 -2.543 1.00 0.00 C ATOM 0 H ILE A 77 25.781 -0.091 -4.767 1.00 0.00 H new ATOM 0 HA ILE A 77 26.248 1.919 -6.699 1.00 0.00 H new ATOM 0 HB ILE A 77 27.538 3.011 -4.899 1.00 0.00 H new ATOM 0 HG12 ILE A 77 27.135 0.529 -3.214 1.00 0.00 H new ATOM 0 HG13 ILE A 77 28.584 0.764 -4.172 1.00 0.00 H new ATOM 0 HG21 ILE A 77 25.783 3.067 -3.168 1.00 0.00 H new ATOM 0 HG22 ILE A 77 25.092 3.120 -4.807 1.00 0.00 H new ATOM 0 HG23 ILE A 77 25.048 1.607 -3.871 1.00 0.00 H new ATOM 0 HD11 ILE A 77 28.935 1.486 -1.860 1.00 0.00 H new ATOM 0 HD12 ILE A 77 29.052 2.871 -2.971 1.00 0.00 H new ATOM 0 HD13 ILE A 77 27.581 2.632 -1.998 1.00 0.00 H new ATOM 1022 N SER A 78 28.949 1.957 -6.821 1.00 0.00 N ATOM 1023 CA SER A 78 30.289 1.750 -7.351 1.00 0.00 C ATOM 1024 C SER A 78 31.314 1.715 -6.224 1.00 0.00 C ATOM 1025 O SER A 78 31.182 2.427 -5.228 1.00 0.00 O ATOM 1026 CB SER A 78 30.645 2.859 -8.343 1.00 0.00 C ATOM 1027 OG SER A 78 29.678 2.952 -9.374 1.00 0.00 O ATOM 0 H SER A 78 28.692 2.936 -6.698 1.00 0.00 H new ATOM 0 HA SER A 78 30.306 0.791 -7.868 1.00 0.00 H new ATOM 0 HB2 SER A 78 30.714 3.812 -7.818 1.00 0.00 H new ATOM 0 HB3 SER A 78 31.625 2.662 -8.777 1.00 0.00 H new ATOM 0 HG SER A 78 29.928 3.669 -9.993 1.00 0.00 H new ATOM 1033 N ASN A 79 32.331 0.878 -6.384 1.00 0.00 N ATOM 1034 CA ASN A 79 33.381 0.754 -5.384 1.00 0.00 C ATOM 1035 C ASN A 79 32.804 0.351 -4.032 1.00 0.00 C ATOM 1036 O ASN A 79 33.371 0.667 -2.986 1.00 0.00 O ATOM 1037 CB ASN A 79 34.146 2.072 -5.251 1.00 0.00 C ATOM 1038 CG ASN A 79 34.347 2.766 -6.583 1.00 0.00 C ATOM 1039 OD1 ASN A 79 35.044 2.258 -7.462 1.00 0.00 O ATOM 1040 ND2 ASN A 79 33.740 3.935 -6.736 1.00 0.00 N ATOM 0 H ASN A 79 32.450 0.275 -7.198 1.00 0.00 H new ATOM 0 HA ASN A 79 34.067 -0.027 -5.712 1.00 0.00 H new ATOM 0 HB2 ASN A 79 33.604 2.736 -4.578 1.00 0.00 H new ATOM 0 HB3 ASN A 79 35.117 1.880 -4.795 1.00 0.00 H new ATOM 0 HD21 ASN A 79 33.841 4.452 -7.610 1.00 0.00 H new ATOM 0 HD22 ASN A 79 33.172 4.318 -5.980 1.00 0.00 H new ATOM 1047 N GLY A 80 31.679 -0.353 -4.061 1.00 0.00 N ATOM 1048 CA GLY A 80 31.053 -0.791 -2.829 1.00 0.00 C ATOM 1049 C GLY A 80 29.865 -1.701 -3.061 1.00 0.00 C ATOM 1050 O GLY A 80 29.647 -2.185 -4.172 1.00 0.00 O ATOM 0 H GLY A 80 31.190 -0.628 -4.913 1.00 0.00 H new ATOM 0 HA2 GLY A 80 31.790 -1.313 -2.219 1.00 0.00 H new ATOM 0 HA3 GLY A 80 30.730 0.082 -2.262 1.00 0.00 H new ATOM 1054 N ARG A 81 29.102 -1.940 -2.001 1.00 0.00 N ATOM 1055 CA ARG A 81 27.934 -2.805 -2.067 1.00 0.00 C ATOM 1056 C ARG A 81 27.022 -2.557 -0.875 1.00 0.00 C ATOM 1057 O ARG A 81 27.273 -1.670 -0.059 1.00 0.00 O ATOM 1058 CB ARG A 81 28.358 -4.274 -2.097 1.00 0.00 C ATOM 1059 CG ARG A 81 29.602 -4.567 -1.276 1.00 0.00 C ATOM 1060 CD ARG A 81 30.162 -5.940 -1.598 1.00 0.00 C ATOM 1061 NE ARG A 81 30.237 -6.792 -0.414 1.00 0.00 N ATOM 1062 CZ ARG A 81 30.715 -8.032 -0.427 1.00 0.00 C ATOM 1063 NH1 ARG A 81 30.750 -8.742 0.692 1.00 0.00 N ATOM 1064 NH2 ARG A 81 31.159 -8.563 -1.558 1.00 0.00 N ATOM 0 H ARG A 81 29.275 -1.542 -1.078 1.00 0.00 H new ATOM 0 HA ARG A 81 27.390 -2.575 -2.983 1.00 0.00 H new ATOM 0 HB2 ARG A 81 27.537 -4.888 -1.727 1.00 0.00 H new ATOM 0 HB3 ARG A 81 28.537 -4.570 -3.131 1.00 0.00 H new ATOM 0 HG2 ARG A 81 30.358 -3.807 -1.474 1.00 0.00 H new ATOM 0 HG3 ARG A 81 29.362 -4.509 -0.214 1.00 0.00 H new ATOM 0 HD2 ARG A 81 29.536 -6.419 -2.351 1.00 0.00 H new ATOM 0 HD3 ARG A 81 31.156 -5.833 -2.031 1.00 0.00 H new ATOM 0 HE ARG A 81 29.904 -6.414 0.473 1.00 0.00 H new ATOM 0 HH11 ARG A 81 30.410 -8.337 1.564 1.00 0.00 H new ATOM 0 HH12 ARG A 81 31.117 -9.694 0.681 1.00 0.00 H new ATOM 0 HH21 ARG A 81 31.134 -8.020 -2.421 1.00 0.00 H new ATOM 0 HH22 ARG A 81 31.525 -9.515 -1.565 1.00 0.00 H new ATOM 1078 N HIS A 82 25.972 -3.356 -0.773 1.00 0.00 N ATOM 1079 CA HIS A 82 25.025 -3.236 0.327 1.00 0.00 C ATOM 1080 C HIS A 82 25.165 -4.406 1.296 1.00 0.00 C ATOM 1081 O HIS A 82 25.808 -5.408 0.983 1.00 0.00 O ATOM 1082 CB HIS A 82 23.596 -3.167 -0.208 1.00 0.00 C ATOM 1083 CG HIS A 82 23.305 -4.173 -1.277 1.00 0.00 C ATOM 1084 ND1 HIS A 82 23.497 -3.921 -2.620 1.00 0.00 N ATOM 1085 CD2 HIS A 82 22.835 -5.441 -1.199 1.00 0.00 C ATOM 1086 CE1 HIS A 82 23.158 -4.988 -3.320 1.00 0.00 C ATOM 1087 NE2 HIS A 82 22.753 -5.924 -2.481 1.00 0.00 N ATOM 0 H HIS A 82 25.753 -4.096 -1.439 1.00 0.00 H new ATOM 0 HA HIS A 82 25.247 -2.315 0.866 1.00 0.00 H new ATOM 0 HB2 HIS A 82 22.901 -3.316 0.618 1.00 0.00 H new ATOM 0 HB3 HIS A 82 23.413 -2.167 -0.602 1.00 0.00 H new ATOM 0 HD1 HIS A 82 23.847 -3.046 -3.011 1.00 0.00 H new ATOM 0 HD2 HIS A 82 22.573 -5.973 -0.296 1.00 0.00 H new ATOM 0 HE1 HIS A 82 23.204 -5.080 -4.395 1.00 0.00 H new ATOM 1096 N ASN A 83 24.569 -4.269 2.476 1.00 0.00 N ATOM 1097 CA ASN A 83 24.629 -5.319 3.487 1.00 0.00 C ATOM 1098 C ASN A 83 23.366 -6.173 3.453 1.00 0.00 C ATOM 1099 O ASN A 83 23.330 -7.218 2.804 1.00 0.00 O ATOM 1100 CB ASN A 83 24.814 -4.709 4.879 1.00 0.00 C ATOM 1101 CG ASN A 83 26.211 -4.159 5.090 1.00 0.00 C ATOM 1102 OD1 ASN A 83 27.110 -4.388 4.281 1.00 0.00 O ATOM 1103 ND2 ASN A 83 26.400 -3.428 6.183 1.00 0.00 N ATOM 0 H ASN A 83 24.040 -3.443 2.756 1.00 0.00 H new ATOM 0 HA ASN A 83 25.485 -5.957 3.265 1.00 0.00 H new ATOM 0 HB2 ASN A 83 24.087 -3.910 5.022 1.00 0.00 H new ATOM 0 HB3 ASN A 83 24.607 -5.467 5.635 1.00 0.00 H new ATOM 0 HD21 ASN A 83 27.319 -3.031 6.379 1.00 0.00 H new ATOM 0 HD22 ASN A 83 25.626 -3.263 6.827 1.00 0.00 H new ATOM 1165 N PHE A 88 14.544 -9.702 0.688 1.00 0.00 N ATOM 1166 CA PHE A 88 13.595 -8.680 0.269 1.00 0.00 C ATOM 1167 C PHE A 88 13.406 -7.625 1.355 1.00 0.00 C ATOM 1168 O PHE A 88 13.925 -7.760 2.464 1.00 0.00 O ATOM 1169 CB PHE A 88 12.251 -9.321 -0.076 1.00 0.00 C ATOM 1170 CG PHE A 88 12.143 -9.750 -1.507 1.00 0.00 C ATOM 1171 CD1 PHE A 88 11.466 -8.966 -2.424 1.00 0.00 C ATOM 1172 CD2 PHE A 88 12.717 -10.934 -1.935 1.00 0.00 C ATOM 1173 CE1 PHE A 88 11.362 -9.355 -3.743 1.00 0.00 C ATOM 1174 CE2 PHE A 88 12.617 -11.329 -3.254 1.00 0.00 C ATOM 1175 CZ PHE A 88 11.938 -10.538 -4.161 1.00 0.00 C ATOM 0 HA PHE A 88 13.997 -8.188 -0.617 1.00 0.00 H new ATOM 0 HB2 PHE A 88 12.095 -10.187 0.567 1.00 0.00 H new ATOM 0 HB3 PHE A 88 11.452 -8.612 0.144 1.00 0.00 H new ATOM 0 HD1 PHE A 88 11.014 -8.039 -2.103 1.00 0.00 H new ATOM 0 HD2 PHE A 88 13.249 -11.556 -1.230 1.00 0.00 H new ATOM 0 HE1 PHE A 88 10.830 -8.734 -4.449 1.00 0.00 H new ATOM 0 HE2 PHE A 88 13.069 -12.255 -3.577 1.00 0.00 H new ATOM 0 HZ PHE A 88 11.858 -10.844 -5.194 1.00 0.00 H new ATOM 1185 N TYR A 89 12.662 -6.573 1.026 1.00 0.00 N ATOM 1186 CA TYR A 89 12.406 -5.486 1.966 1.00 0.00 C ATOM 1187 C TYR A 89 11.097 -4.776 1.626 1.00 0.00 C ATOM 1188 O TYR A 89 10.535 -4.982 0.551 1.00 0.00 O ATOM 1189 CB TYR A 89 13.570 -4.492 1.945 1.00 0.00 C ATOM 1190 CG TYR A 89 14.910 -5.122 2.255 1.00 0.00 C ATOM 1191 CD1 TYR A 89 15.659 -5.736 1.258 1.00 0.00 C ATOM 1192 CD2 TYR A 89 15.424 -5.110 3.546 1.00 0.00 C ATOM 1193 CE1 TYR A 89 16.885 -6.307 1.536 1.00 0.00 C ATOM 1194 CE2 TYR A 89 16.647 -5.685 3.832 1.00 0.00 C ATOM 1195 CZ TYR A 89 17.373 -6.281 2.824 1.00 0.00 C ATOM 1196 OH TYR A 89 18.589 -6.855 3.106 1.00 0.00 O ATOM 0 H TYR A 89 12.225 -6.450 0.113 1.00 0.00 H new ATOM 0 HA TYR A 89 12.316 -5.906 2.968 1.00 0.00 H new ATOM 0 HB2 TYR A 89 13.618 -4.022 0.963 1.00 0.00 H new ATOM 0 HB3 TYR A 89 13.374 -3.700 2.668 1.00 0.00 H new ATOM 0 HD1 TYR A 89 15.276 -5.767 0.249 1.00 0.00 H new ATOM 0 HD2 TYR A 89 14.858 -4.643 4.339 1.00 0.00 H new ATOM 0 HE1 TYR A 89 17.459 -6.772 0.748 1.00 0.00 H new ATOM 0 HE2 TYR A 89 17.032 -5.667 4.841 1.00 0.00 H new ATOM 0 HH TYR A 89 18.787 -6.749 4.060 1.00 0.00 H new ATOM 1206 N THR A 90 10.606 -3.947 2.545 1.00 0.00 N ATOM 1207 CA THR A 90 9.352 -3.232 2.329 1.00 0.00 C ATOM 1208 C THR A 90 9.316 -1.907 3.086 1.00 0.00 C ATOM 1209 O THR A 90 10.292 -1.511 3.721 1.00 0.00 O ATOM 1210 CB THR A 90 8.173 -4.104 2.757 1.00 0.00 C ATOM 1211 OG1 THR A 90 8.393 -4.650 4.046 1.00 0.00 O ATOM 1212 CG2 THR A 90 7.915 -5.249 1.809 1.00 0.00 C ATOM 0 H THR A 90 11.055 -3.755 3.441 1.00 0.00 H new ATOM 0 HA THR A 90 9.279 -3.010 1.264 1.00 0.00 H new ATOM 0 HB THR A 90 7.305 -3.445 2.756 1.00 0.00 H new ATOM 0 HG1 THR A 90 7.626 -5.204 4.302 1.00 0.00 H new ATOM 0 HG21 THR A 90 7.066 -5.832 2.166 1.00 0.00 H new ATOM 0 HG22 THR A 90 7.694 -4.857 0.816 1.00 0.00 H new ATOM 0 HG23 THR A 90 8.798 -5.886 1.759 1.00 0.00 H new ATOM 1220 N ASP A 91 8.175 -1.228 3.007 1.00 0.00 N ATOM 1221 CA ASP A 91 7.993 0.055 3.667 1.00 0.00 C ATOM 1222 C ASP A 91 8.405 -0.007 5.125 1.00 0.00 C ATOM 1223 O ASP A 91 7.614 -0.368 5.997 1.00 0.00 O ATOM 1224 CB ASP A 91 6.539 0.510 3.559 1.00 0.00 C ATOM 1225 CG ASP A 91 6.012 0.435 2.139 1.00 0.00 C ATOM 1226 OD1 ASP A 91 6.617 1.066 1.246 1.00 0.00 O ATOM 1227 OD2 ASP A 91 4.993 -0.253 1.920 1.00 0.00 O ATOM 0 H ASP A 91 7.359 -1.551 2.488 1.00 0.00 H new ATOM 0 HA ASP A 91 8.634 0.777 3.162 1.00 0.00 H new ATOM 0 HB2 ASP A 91 5.919 -0.109 4.207 1.00 0.00 H new ATOM 0 HB3 ASP A 91 6.454 1.535 3.921 1.00 0.00 H new ATOM 1232 N GLY A 92 9.644 0.373 5.378 1.00 0.00 N ATOM 1233 CA GLY A 92 10.147 0.403 6.734 1.00 0.00 C ATOM 1234 C GLY A 92 11.405 -0.419 6.924 1.00 0.00 C ATOM 1235 O GLY A 92 11.736 -0.795 8.049 1.00 0.00 O ATOM 0 H GLY A 92 10.315 0.663 4.666 1.00 0.00 H new ATOM 0 HA2 GLY A 92 10.350 1.436 7.016 1.00 0.00 H new ATOM 0 HA3 GLY A 92 9.375 0.034 7.409 1.00 0.00 H new ATOM 1239 N SER A 93 12.115 -0.705 5.836 1.00 0.00 N ATOM 1240 CA SER A 93 13.348 -1.477 5.932 1.00 0.00 C ATOM 1241 C SER A 93 14.558 -0.601 5.634 1.00 0.00 C ATOM 1242 O SER A 93 14.453 0.394 4.920 1.00 0.00 O ATOM 1243 CB SER A 93 13.313 -2.673 4.979 1.00 0.00 C ATOM 1244 OG SER A 93 11.985 -2.994 4.607 1.00 0.00 O ATOM 0 H SER A 93 11.862 -0.418 4.891 1.00 0.00 H new ATOM 0 HA SER A 93 13.434 -1.849 6.953 1.00 0.00 H new ATOM 0 HB2 SER A 93 13.899 -2.448 4.088 1.00 0.00 H new ATOM 0 HB3 SER A 93 13.778 -3.535 5.457 1.00 0.00 H new ATOM 0 HG SER A 93 11.622 -2.280 4.042 1.00 0.00 H new ATOM 1250 N VAL A 94 15.702 -0.965 6.198 1.00 0.00 N ATOM 1251 CA VAL A 94 16.926 -0.204 5.993 1.00 0.00 C ATOM 1252 C VAL A 94 18.116 -1.130 5.780 1.00 0.00 C ATOM 1253 O VAL A 94 18.105 -2.286 6.202 1.00 0.00 O ATOM 1254 CB VAL A 94 17.212 0.733 7.185 1.00 0.00 C ATOM 1255 CG1 VAL A 94 16.067 1.715 7.370 1.00 0.00 C ATOM 1256 CG2 VAL A 94 18.528 1.474 6.993 1.00 0.00 C ATOM 0 H VAL A 94 15.807 -1.782 6.800 1.00 0.00 H new ATOM 0 HA VAL A 94 16.780 0.401 5.098 1.00 0.00 H new ATOM 0 HB VAL A 94 17.298 0.124 8.085 1.00 0.00 H new ATOM 0 HG11 VAL A 94 16.282 2.370 8.214 1.00 0.00 H new ATOM 0 HG12 VAL A 94 15.952 2.314 6.467 1.00 0.00 H new ATOM 0 HG13 VAL A 94 15.145 1.167 7.562 1.00 0.00 H new ATOM 0 HG21 VAL A 94 18.706 2.128 7.847 1.00 0.00 H new ATOM 0 HG22 VAL A 94 19.342 0.754 6.911 1.00 0.00 H new ATOM 0 HG23 VAL A 94 18.480 2.072 6.083 1.00 0.00 H new ATOM 1266 N VAL A 95 19.138 -0.608 5.117 1.00 0.00 N ATOM 1267 CA VAL A 95 20.342 -1.373 4.837 1.00 0.00 C ATOM 1268 C VAL A 95 21.565 -0.470 4.852 1.00 0.00 C ATOM 1269 O VAL A 95 21.494 0.694 4.457 1.00 0.00 O ATOM 1270 CB VAL A 95 20.254 -2.075 3.472 1.00 0.00 C ATOM 1271 CG1 VAL A 95 21.346 -3.118 3.324 1.00 0.00 C ATOM 1272 CG2 VAL A 95 18.888 -2.710 3.289 1.00 0.00 C ATOM 0 H VAL A 95 19.156 0.348 4.762 1.00 0.00 H new ATOM 0 HA VAL A 95 20.434 -2.128 5.617 1.00 0.00 H new ATOM 0 HB VAL A 95 20.397 -1.323 2.696 1.00 0.00 H new ATOM 0 HG11 VAL A 95 21.260 -3.599 2.350 1.00 0.00 H new ATOM 0 HG12 VAL A 95 22.321 -2.638 3.407 1.00 0.00 H new ATOM 0 HG13 VAL A 95 21.242 -3.867 4.109 1.00 0.00 H new ATOM 0 HG21 VAL A 95 18.843 -3.203 2.318 1.00 0.00 H new ATOM 0 HG22 VAL A 95 18.720 -3.445 4.077 1.00 0.00 H new ATOM 0 HG23 VAL A 95 18.119 -1.940 3.341 1.00 0.00 H new ATOM 1282 N THR A 96 22.683 -1.007 5.317 1.00 0.00 N ATOM 1283 CA THR A 96 23.918 -0.244 5.380 1.00 0.00 C ATOM 1284 C THR A 96 24.869 -0.669 4.273 1.00 0.00 C ATOM 1285 O THR A 96 25.179 -1.850 4.119 1.00 0.00 O ATOM 1286 CB THR A 96 24.578 -0.411 6.746 1.00 0.00 C ATOM 1287 OG1 THR A 96 24.074 -1.556 7.412 1.00 0.00 O ATOM 1288 CG2 THR A 96 24.366 0.781 7.651 1.00 0.00 C ATOM 0 H THR A 96 22.759 -1.966 5.655 1.00 0.00 H new ATOM 0 HA THR A 96 23.678 0.810 5.238 1.00 0.00 H new ATOM 0 HB THR A 96 25.645 -0.515 6.546 1.00 0.00 H new ATOM 0 HG1 THR A 96 24.511 -1.646 8.285 1.00 0.00 H new ATOM 0 HG21 THR A 96 24.858 0.604 8.607 1.00 0.00 H new ATOM 0 HG22 THR A 96 24.788 1.671 7.185 1.00 0.00 H new ATOM 0 HG23 THR A 96 23.298 0.929 7.814 1.00 0.00 H new ATOM 1296 N TYR A 97 25.310 0.305 3.492 1.00 0.00 N ATOM 1297 CA TYR A 97 26.195 0.043 2.367 1.00 0.00 C ATOM 1298 C TYR A 97 27.654 -0.028 2.808 1.00 0.00 C ATOM 1299 O TYR A 97 28.011 0.425 3.894 1.00 0.00 O ATOM 1300 CB TYR A 97 26.002 1.119 1.297 1.00 0.00 C ATOM 1301 CG TYR A 97 24.906 0.786 0.314 1.00 0.00 C ATOM 1302 CD1 TYR A 97 23.633 0.455 0.758 1.00 0.00 C ATOM 1303 CD2 TYR A 97 25.143 0.793 -1.054 1.00 0.00 C ATOM 1304 CE1 TYR A 97 22.625 0.148 -0.130 1.00 0.00 C ATOM 1305 CE2 TYR A 97 24.138 0.485 -1.951 1.00 0.00 C ATOM 1306 CZ TYR A 97 22.880 0.163 -1.484 1.00 0.00 C ATOM 1307 OH TYR A 97 21.876 -0.144 -2.373 1.00 0.00 O ATOM 0 H TYR A 97 25.068 1.288 3.617 1.00 0.00 H new ATOM 0 HA TYR A 97 25.937 -0.929 1.946 1.00 0.00 H new ATOM 0 HB2 TYR A 97 25.771 2.068 1.782 1.00 0.00 H new ATOM 0 HB3 TYR A 97 26.938 1.257 0.756 1.00 0.00 H new ATOM 0 HD1 TYR A 97 23.429 0.438 1.818 1.00 0.00 H new ATOM 0 HD2 TYR A 97 26.127 1.043 -1.422 1.00 0.00 H new ATOM 0 HE1 TYR A 97 21.640 -0.103 0.234 1.00 0.00 H new ATOM 0 HE2 TYR A 97 24.336 0.496 -3.013 1.00 0.00 H new ATOM 0 HH TYR A 97 22.200 -0.809 -3.016 1.00 0.00 H new ATOM 1317 N SER A 98 28.493 -0.636 1.976 1.00 0.00 N ATOM 1318 CA SER A 98 29.906 -0.782 2.311 1.00 0.00 C ATOM 1319 C SER A 98 30.774 -0.899 1.063 1.00 0.00 C ATOM 1320 O SER A 98 30.425 -1.596 0.113 1.00 0.00 O ATOM 1321 CB SER A 98 30.111 -2.008 3.201 1.00 0.00 C ATOM 1322 OG SER A 98 30.401 -3.161 2.428 1.00 0.00 O ATOM 0 H SER A 98 28.224 -1.032 1.075 1.00 0.00 H new ATOM 0 HA SER A 98 30.211 0.116 2.848 1.00 0.00 H new ATOM 0 HB2 SER A 98 30.926 -1.821 3.900 1.00 0.00 H new ATOM 0 HB3 SER A 98 29.215 -2.182 3.796 1.00 0.00 H new ATOM 0 HG SER A 98 30.529 -3.930 3.022 1.00 0.00 H new ATOM 1328 N CYS A 99 31.939 -0.259 1.104 1.00 0.00 N ATOM 1329 CA CYS A 99 32.870 -0.287 -0.015 1.00 0.00 C ATOM 1330 C CYS A 99 33.485 -1.670 -0.194 1.00 0.00 C ATOM 1331 O CYS A 99 33.405 -2.518 0.695 1.00 0.00 O ATOM 1332 CB CYS A 99 33.974 0.738 0.211 1.00 0.00 C ATOM 1333 SG CYS A 99 33.361 2.351 0.793 1.00 0.00 S ATOM 0 H CYS A 99 32.260 0.287 1.904 1.00 0.00 H new ATOM 0 HA CYS A 99 32.316 -0.043 -0.921 1.00 0.00 H new ATOM 0 HB2 CYS A 99 34.682 0.343 0.940 1.00 0.00 H new ATOM 0 HB3 CYS A 99 34.522 0.881 -0.720 1.00 0.00 H new ATOM 1338 N ASN A 100 34.113 -1.883 -1.346 1.00 0.00 N ATOM 1339 CA ASN A 100 34.747 -3.158 -1.650 1.00 0.00 C ATOM 1340 C ASN A 100 36.208 -3.164 -1.212 1.00 0.00 C ATOM 1341 O ASN A 100 36.585 -3.874 -0.279 1.00 0.00 O ATOM 1342 CB ASN A 100 34.656 -3.442 -3.150 1.00 0.00 C ATOM 1343 CG ASN A 100 33.250 -3.263 -3.688 1.00 0.00 C ATOM 1344 OD1 ASN A 100 32.295 -3.839 -3.167 1.00 0.00 O ATOM 1345 ND2 ASN A 100 33.117 -2.462 -4.739 1.00 0.00 N ATOM 0 H ASN A 100 34.196 -1.186 -2.086 1.00 0.00 H new ATOM 0 HA ASN A 100 34.221 -3.938 -1.099 1.00 0.00 H new ATOM 0 HB2 ASN A 100 35.334 -2.777 -3.685 1.00 0.00 H new ATOM 0 HB3 ASN A 100 34.990 -4.461 -3.345 1.00 0.00 H new ATOM 0 HD21 ASN A 100 32.195 -2.304 -5.146 1.00 0.00 H new ATOM 0 HD22 ASN A 100 33.937 -2.005 -5.139 1.00 0.00 H new ATOM 1352 N SER A 101 37.028 -2.372 -1.896 1.00 0.00 N ATOM 1353 CA SER A 101 38.452 -2.293 -1.590 1.00 0.00 C ATOM 1354 C SER A 101 38.701 -1.494 -0.315 1.00 0.00 C ATOM 1355 O SER A 101 39.582 -1.830 0.477 1.00 0.00 O ATOM 1356 CB SER A 101 39.209 -1.659 -2.758 1.00 0.00 C ATOM 1357 OG SER A 101 40.530 -2.163 -2.845 1.00 0.00 O ATOM 0 H SER A 101 36.730 -1.775 -2.667 1.00 0.00 H new ATOM 0 HA SER A 101 38.817 -3.308 -1.432 1.00 0.00 H new ATOM 0 HB2 SER A 101 38.679 -1.858 -3.689 1.00 0.00 H new ATOM 0 HB3 SER A 101 39.237 -0.577 -2.632 1.00 0.00 H new ATOM 0 HG SER A 101 40.991 -1.743 -3.601 1.00 0.00 H new ATOM 1363 N GLY A 102 37.930 -0.427 -0.127 1.00 0.00 N ATOM 1364 CA GLY A 102 38.080 0.394 1.057 1.00 0.00 C ATOM 1365 C GLY A 102 37.866 1.870 0.781 1.00 0.00 C ATOM 1366 O GLY A 102 38.589 2.718 1.306 1.00 0.00 O ATOM 0 H GLY A 102 37.205 -0.118 -0.774 1.00 0.00 H new ATOM 0 HA2 GLY A 102 37.369 0.064 1.815 1.00 0.00 H new ATOM 0 HA3 GLY A 102 39.078 0.248 1.471 1.00 0.00 H new ATOM 1370 N TYR A 103 36.865 2.178 -0.036 1.00 0.00 N ATOM 1371 CA TYR A 103 36.534 3.556 -0.362 1.00 0.00 C ATOM 1372 C TYR A 103 35.817 4.215 0.814 1.00 0.00 C ATOM 1373 O TYR A 103 35.783 3.660 1.912 1.00 0.00 O ATOM 1374 CB TYR A 103 35.655 3.579 -1.616 1.00 0.00 C ATOM 1375 CG TYR A 103 36.439 3.675 -2.906 1.00 0.00 C ATOM 1376 CD1 TYR A 103 37.020 2.548 -3.471 1.00 0.00 C ATOM 1377 CD2 TYR A 103 36.595 4.890 -3.559 1.00 0.00 C ATOM 1378 CE1 TYR A 103 37.735 2.628 -4.651 1.00 0.00 C ATOM 1379 CE2 TYR A 103 37.304 4.978 -4.742 1.00 0.00 C ATOM 1380 CZ TYR A 103 37.878 3.847 -5.280 1.00 0.00 C ATOM 1381 OH TYR A 103 38.590 3.932 -6.454 1.00 0.00 O ATOM 0 H TYR A 103 36.267 1.485 -0.486 1.00 0.00 H new ATOM 0 HA TYR A 103 37.448 4.117 -0.559 1.00 0.00 H new ATOM 0 HB2 TYR A 103 35.045 2.676 -1.638 1.00 0.00 H new ATOM 0 HB3 TYR A 103 34.970 4.425 -1.554 1.00 0.00 H new ATOM 0 HD1 TYR A 103 36.911 1.592 -2.980 1.00 0.00 H new ATOM 0 HD2 TYR A 103 36.155 5.781 -3.136 1.00 0.00 H new ATOM 0 HE1 TYR A 103 38.179 1.741 -5.078 1.00 0.00 H new ATOM 0 HE2 TYR A 103 37.408 5.929 -5.243 1.00 0.00 H new ATOM 0 HH TYR A 103 38.595 4.861 -6.767 1.00 0.00 H new ATOM 1391 N SER A 104 35.228 5.384 0.586 1.00 0.00 N ATOM 1392 CA SER A 104 34.512 6.087 1.643 1.00 0.00 C ATOM 1393 C SER A 104 33.023 6.195 1.329 1.00 0.00 C ATOM 1394 O SER A 104 32.613 6.987 0.483 1.00 0.00 O ATOM 1395 CB SER A 104 35.101 7.483 1.853 1.00 0.00 C ATOM 1396 OG SER A 104 34.476 8.437 1.012 1.00 0.00 O ATOM 0 H SER A 104 35.232 5.862 -0.315 1.00 0.00 H new ATOM 0 HA SER A 104 34.627 5.508 2.560 1.00 0.00 H new ATOM 0 HB2 SER A 104 34.979 7.778 2.895 1.00 0.00 H new ATOM 0 HB3 SER A 104 36.172 7.463 1.650 1.00 0.00 H new ATOM 0 HG SER A 104 34.301 8.035 0.135 1.00 0.00 H new ATOM 1402 N LEU A 105 32.220 5.404 2.030 1.00 0.00 N ATOM 1403 CA LEU A 105 30.779 5.423 1.861 1.00 0.00 C ATOM 1404 C LEU A 105 30.250 6.845 1.972 1.00 0.00 C ATOM 1405 O LEU A 105 30.432 7.515 2.989 1.00 0.00 O ATOM 1406 CB LEU A 105 30.125 4.529 2.912 1.00 0.00 C ATOM 1407 CG LEU A 105 29.184 3.458 2.364 1.00 0.00 C ATOM 1408 CD1 LEU A 105 29.895 2.591 1.336 1.00 0.00 C ATOM 1409 CD2 LEU A 105 27.940 4.095 1.765 1.00 0.00 C ATOM 0 H LEU A 105 32.550 4.736 2.727 1.00 0.00 H new ATOM 0 HA LEU A 105 30.534 5.043 0.869 1.00 0.00 H new ATOM 0 HB2 LEU A 105 30.910 4.039 3.488 1.00 0.00 H new ATOM 0 HB3 LEU A 105 29.567 5.159 3.605 1.00 0.00 H new ATOM 0 HG LEU A 105 28.875 2.818 3.191 1.00 0.00 H new ATOM 0 HD11 LEU A 105 29.206 1.835 0.959 1.00 0.00 H new ATOM 0 HD12 LEU A 105 30.238 3.214 0.510 1.00 0.00 H new ATOM 0 HD13 LEU A 105 30.751 2.102 1.802 1.00 0.00 H new ATOM 0 HD21 LEU A 105 27.282 3.316 1.380 1.00 0.00 H new ATOM 0 HD22 LEU A 105 27.417 4.665 2.533 1.00 0.00 H new ATOM 0 HD23 LEU A 105 28.228 4.761 0.952 1.00 0.00 H new ATOM 1421 N ILE A 106 29.623 7.303 0.903 1.00 0.00 N ATOM 1422 CA ILE A 106 29.102 8.655 0.828 1.00 0.00 C ATOM 1423 C ILE A 106 27.600 8.687 1.094 1.00 0.00 C ATOM 1424 O ILE A 106 26.931 7.661 1.019 1.00 0.00 O ATOM 1425 CB ILE A 106 29.380 9.241 -0.565 1.00 0.00 C ATOM 1426 CG1 ILE A 106 30.877 9.202 -0.868 1.00 0.00 C ATOM 1427 CG2 ILE A 106 28.844 10.656 -0.672 1.00 0.00 C ATOM 1428 CD1 ILE A 106 31.690 10.164 -0.032 1.00 0.00 C ATOM 0 H ILE A 106 29.461 6.748 0.063 1.00 0.00 H new ATOM 0 HA ILE A 106 29.601 9.250 1.593 1.00 0.00 H new ATOM 0 HB ILE A 106 28.863 8.631 -1.305 1.00 0.00 H new ATOM 0 HG12 ILE A 106 31.246 8.190 -0.703 1.00 0.00 H new ATOM 0 HG13 ILE A 106 31.032 9.430 -1.923 1.00 0.00 H new ATOM 0 HG21 ILE A 106 29.053 11.050 -1.667 1.00 0.00 H new ATOM 0 HG22 ILE A 106 27.767 10.651 -0.502 1.00 0.00 H new ATOM 0 HG23 ILE A 106 29.326 11.285 0.076 1.00 0.00 H new ATOM 0 HD11 ILE A 106 32.743 10.081 -0.302 1.00 0.00 H new ATOM 0 HD12 ILE A 106 31.348 11.183 -0.214 1.00 0.00 H new ATOM 0 HD13 ILE A 106 31.566 9.923 1.024 1.00 0.00 H new ATOM 1440 N GLY A 107 27.072 9.870 1.397 1.00 0.00 N ATOM 1441 CA GLY A 107 25.647 10.000 1.650 1.00 0.00 C ATOM 1442 C GLY A 107 25.140 8.993 2.652 1.00 0.00 C ATOM 1443 O GLY A 107 23.980 8.581 2.614 1.00 0.00 O ATOM 0 H GLY A 107 27.603 10.738 1.472 1.00 0.00 H new ATOM 0 HA2 GLY A 107 25.437 11.006 2.014 1.00 0.00 H new ATOM 0 HA3 GLY A 107 25.103 9.880 0.713 1.00 0.00 H new ATOM 1447 N ASN A 108 26.029 8.584 3.528 1.00 0.00 N ATOM 1448 CA ASN A 108 25.715 7.615 4.567 1.00 0.00 C ATOM 1449 C ASN A 108 25.264 6.290 3.969 1.00 0.00 C ATOM 1450 O ASN A 108 24.417 6.244 3.080 1.00 0.00 O ATOM 1451 CB ASN A 108 24.640 8.169 5.484 1.00 0.00 C ATOM 1452 CG ASN A 108 25.134 8.371 6.903 1.00 0.00 C ATOM 1453 OD1 ASN A 108 24.897 7.540 7.779 1.00 0.00 O ATOM 1454 ND2 ASN A 108 25.829 9.478 7.136 1.00 0.00 N ATOM 0 H ASN A 108 26.995 8.912 3.545 1.00 0.00 H new ATOM 0 HA ASN A 108 26.621 7.431 5.144 1.00 0.00 H new ATOM 0 HB2 ASN A 108 24.284 9.120 5.088 1.00 0.00 H new ATOM 0 HB3 ASN A 108 23.788 7.489 5.493 1.00 0.00 H new ATOM 0 HD21 ASN A 108 26.190 9.666 8.071 1.00 0.00 H new ATOM 0 HD22 ASN A 108 26.002 10.140 6.380 1.00 0.00 H new ATOM 1461 N SER A 109 25.838 5.219 4.485 1.00 0.00 N ATOM 1462 CA SER A 109 25.552 3.873 4.012 1.00 0.00 C ATOM 1463 C SER A 109 24.068 3.531 4.112 1.00 0.00 C ATOM 1464 O SER A 109 23.568 2.674 3.384 1.00 0.00 O ATOM 1465 CB SER A 109 26.374 2.873 4.822 1.00 0.00 C ATOM 1466 OG SER A 109 25.630 2.349 5.907 1.00 0.00 O ATOM 0 H SER A 109 26.517 5.256 5.245 1.00 0.00 H new ATOM 0 HA SER A 109 25.824 3.820 2.958 1.00 0.00 H new ATOM 0 HB2 SER A 109 26.699 2.058 4.175 1.00 0.00 H new ATOM 0 HB3 SER A 109 27.274 3.360 5.198 1.00 0.00 H new ATOM 0 HG SER A 109 26.108 2.521 6.745 1.00 0.00 H new ATOM 1472 N GLY A 110 23.379 4.188 5.032 1.00 0.00 N ATOM 1473 CA GLY A 110 21.970 3.907 5.251 1.00 0.00 C ATOM 1474 C GLY A 110 21.105 4.113 4.018 1.00 0.00 C ATOM 1475 O GLY A 110 21.189 5.145 3.352 1.00 0.00 O ATOM 0 H GLY A 110 23.769 4.913 5.634 1.00 0.00 H new ATOM 0 HA2 GLY A 110 21.863 2.877 5.591 1.00 0.00 H new ATOM 0 HA3 GLY A 110 21.602 4.547 6.053 1.00 0.00 H new ATOM 1479 N VAL A 111 20.247 3.131 3.742 1.00 0.00 N ATOM 1480 CA VAL A 111 19.312 3.196 2.619 1.00 0.00 C ATOM 1481 C VAL A 111 17.920 2.774 3.077 1.00 0.00 C ATOM 1482 O VAL A 111 17.733 1.659 3.564 1.00 0.00 O ATOM 1483 CB VAL A 111 19.750 2.292 1.455 1.00 0.00 C ATOM 1484 CG1 VAL A 111 19.051 2.686 0.159 1.00 0.00 C ATOM 1485 CG2 VAL A 111 21.259 2.332 1.285 1.00 0.00 C ATOM 0 H VAL A 111 20.180 2.272 4.288 1.00 0.00 H new ATOM 0 HA VAL A 111 19.299 4.227 2.266 1.00 0.00 H new ATOM 0 HB VAL A 111 19.457 1.270 1.695 1.00 0.00 H new ATOM 0 HG11 VAL A 111 19.380 2.029 -0.646 1.00 0.00 H new ATOM 0 HG12 VAL A 111 17.972 2.593 0.285 1.00 0.00 H new ATOM 0 HG13 VAL A 111 19.300 3.718 -0.089 1.00 0.00 H new ATOM 0 HG21 VAL A 111 21.549 1.686 0.456 1.00 0.00 H new ATOM 0 HG22 VAL A 111 21.575 3.354 1.076 1.00 0.00 H new ATOM 0 HG23 VAL A 111 21.738 1.985 2.201 1.00 0.00 H new ATOM 1495 N LEU A 112 16.951 3.674 2.954 1.00 0.00 N ATOM 1496 CA LEU A 112 15.588 3.380 3.389 1.00 0.00 C ATOM 1497 C LEU A 112 14.819 2.616 2.322 1.00 0.00 C ATOM 1498 O LEU A 112 14.853 2.976 1.148 1.00 0.00 O ATOM 1499 CB LEU A 112 14.842 4.675 3.728 1.00 0.00 C ATOM 1500 CG LEU A 112 13.332 4.530 3.943 1.00 0.00 C ATOM 1501 CD1 LEU A 112 12.617 4.491 2.610 1.00 0.00 C ATOM 1502 CD2 LEU A 112 13.016 3.288 4.765 1.00 0.00 C ATOM 0 H LEU A 112 17.080 4.606 2.560 1.00 0.00 H new ATOM 0 HA LEU A 112 15.656 2.757 4.281 1.00 0.00 H new ATOM 0 HB2 LEU A 112 15.281 5.101 4.631 1.00 0.00 H new ATOM 0 HB3 LEU A 112 15.010 5.391 2.924 1.00 0.00 H new ATOM 0 HG LEU A 112 12.978 5.396 4.501 1.00 0.00 H new ATOM 0 HD11 LEU A 112 11.545 4.388 2.775 1.00 0.00 H new ATOM 0 HD12 LEU A 112 12.813 5.414 2.065 1.00 0.00 H new ATOM 0 HD13 LEU A 112 12.978 3.643 2.028 1.00 0.00 H new ATOM 0 HD21 LEU A 112 11.938 3.208 4.903 1.00 0.00 H new ATOM 0 HD22 LEU A 112 13.381 2.404 4.243 1.00 0.00 H new ATOM 0 HD23 LEU A 112 13.502 3.362 5.738 1.00 0.00 H new ATOM 1514 N CYS A 113 14.082 1.595 2.746 1.00 0.00 N ATOM 1515 CA CYS A 113 13.261 0.816 1.831 1.00 0.00 C ATOM 1516 C CYS A 113 11.786 1.142 2.030 1.00 0.00 C ATOM 1517 O CYS A 113 11.180 0.714 3.017 1.00 0.00 O ATOM 1518 CB CYS A 113 13.468 -0.681 2.052 1.00 0.00 C ATOM 1519 SG CYS A 113 12.438 -1.733 0.978 1.00 0.00 S ATOM 0 H CYS A 113 14.037 1.289 3.718 1.00 0.00 H new ATOM 0 HA CYS A 113 13.562 1.075 0.816 1.00 0.00 H new ATOM 0 HB2 CYS A 113 14.517 -0.922 1.882 1.00 0.00 H new ATOM 0 HB3 CYS A 113 13.251 -0.918 3.093 1.00 0.00 H new ATOM 1524 N SER A 114 11.209 1.891 1.094 1.00 0.00 N ATOM 1525 CA SER A 114 9.798 2.251 1.174 1.00 0.00 C ATOM 1526 C SER A 114 9.260 2.688 -0.182 1.00 0.00 C ATOM 1527 O SER A 114 9.900 3.457 -0.900 1.00 0.00 O ATOM 1528 CB SER A 114 9.586 3.363 2.202 1.00 0.00 C ATOM 1529 OG SER A 114 8.228 3.439 2.598 1.00 0.00 O ATOM 0 H SER A 114 11.695 2.258 0.276 1.00 0.00 H new ATOM 0 HA SER A 114 9.248 1.364 1.490 1.00 0.00 H new ATOM 0 HB2 SER A 114 10.213 3.180 3.075 1.00 0.00 H new ATOM 0 HB3 SER A 114 9.899 4.318 1.779 1.00 0.00 H new ATOM 0 HG SER A 114 7.724 2.709 2.182 1.00 0.00 H new ATOM 1535 N GLY A 115 8.073 2.197 -0.518 1.00 0.00 N ATOM 1536 CA GLY A 115 7.463 2.537 -1.789 1.00 0.00 C ATOM 1537 C GLY A 115 7.974 1.666 -2.916 1.00 0.00 C ATOM 1538 O GLY A 115 7.952 2.065 -4.080 1.00 0.00 O ATOM 0 H GLY A 115 7.522 1.569 0.067 1.00 0.00 H new ATOM 0 HA2 GLY A 115 6.381 2.431 -1.711 1.00 0.00 H new ATOM 0 HA3 GLY A 115 7.665 3.583 -2.019 1.00 0.00 H new ATOM 1542 N GLY A 116 8.435 0.471 -2.566 1.00 0.00 N ATOM 1543 CA GLY A 116 8.971 -0.435 -3.561 1.00 0.00 C ATOM 1544 C GLY A 116 10.305 0.035 -4.105 1.00 0.00 C ATOM 1545 O GLY A 116 10.769 -0.453 -5.136 1.00 0.00 O ATOM 0 H GLY A 116 8.447 0.114 -1.610 1.00 0.00 H new ATOM 0 HA2 GLY A 116 9.089 -1.426 -3.122 1.00 0.00 H new ATOM 0 HA3 GLY A 116 8.260 -0.532 -4.382 1.00 0.00 H new ATOM 1549 N GLU A 117 10.925 0.988 -3.412 1.00 0.00 N ATOM 1550 CA GLU A 117 12.212 1.520 -3.834 1.00 0.00 C ATOM 1551 C GLU A 117 13.104 1.814 -2.637 1.00 0.00 C ATOM 1552 O GLU A 117 12.709 1.619 -1.488 1.00 0.00 O ATOM 1553 CB GLU A 117 12.017 2.793 -4.660 1.00 0.00 C ATOM 1554 CG GLU A 117 11.609 4.008 -3.839 1.00 0.00 C ATOM 1555 CD GLU A 117 11.749 5.306 -4.610 1.00 0.00 C ATOM 1556 OE1 GLU A 117 12.113 6.328 -3.991 1.00 0.00 O ATOM 1557 OE2 GLU A 117 11.498 5.300 -5.834 1.00 0.00 O ATOM 0 H GLU A 117 10.555 1.405 -2.558 1.00 0.00 H new ATOM 0 HA GLU A 117 12.700 0.764 -4.449 1.00 0.00 H new ATOM 0 HB2 GLU A 117 12.945 3.018 -5.186 1.00 0.00 H new ATOM 0 HB3 GLU A 117 11.257 2.608 -5.419 1.00 0.00 H new ATOM 0 HG2 GLU A 117 10.575 3.892 -3.515 1.00 0.00 H new ATOM 0 HG3 GLU A 117 12.222 4.056 -2.939 1.00 0.00 H new ATOM 1564 N TRP A 118 14.298 2.310 -2.921 1.00 0.00 N ATOM 1565 CA TRP A 118 15.260 2.635 -1.883 1.00 0.00 C ATOM 1566 C TRP A 118 15.641 4.105 -1.926 1.00 0.00 C ATOM 1567 O TRP A 118 16.126 4.591 -2.948 1.00 0.00 O ATOM 1568 CB TRP A 118 16.519 1.800 -2.073 1.00 0.00 C ATOM 1569 CG TRP A 118 16.327 0.348 -1.786 1.00 0.00 C ATOM 1570 CD1 TRP A 118 15.987 -0.623 -2.680 1.00 0.00 C ATOM 1571 CD2 TRP A 118 16.482 -0.300 -0.522 1.00 0.00 C ATOM 1572 NE1 TRP A 118 15.914 -1.839 -2.047 1.00 0.00 N ATOM 1573 CE2 TRP A 118 16.214 -1.666 -0.721 1.00 0.00 C ATOM 1574 CE3 TRP A 118 16.818 0.142 0.760 1.00 0.00 C ATOM 1575 CZ2 TRP A 118 16.268 -2.591 0.313 1.00 0.00 C ATOM 1576 CZ3 TRP A 118 16.883 -0.781 1.786 1.00 0.00 C ATOM 1577 CH2 TRP A 118 16.602 -2.135 1.558 1.00 0.00 C ATOM 0 H TRP A 118 14.624 2.497 -3.869 1.00 0.00 H new ATOM 0 HA TRP A 118 14.799 2.418 -0.919 1.00 0.00 H new ATOM 0 HB2 TRP A 118 16.869 1.915 -3.099 1.00 0.00 H new ATOM 0 HB3 TRP A 118 17.303 2.189 -1.423 1.00 0.00 H new ATOM 0 HD1 TRP A 118 15.802 -0.460 -3.731 1.00 0.00 H new ATOM 0 HE1 TRP A 118 15.676 -2.726 -2.491 1.00 0.00 H new ATOM 0 HE3 TRP A 118 17.023 1.186 0.946 1.00 0.00 H new ATOM 0 HZ2 TRP A 118 16.053 -3.635 0.140 1.00 0.00 H new ATOM 0 HZ3 TRP A 118 17.154 -0.454 2.779 1.00 0.00 H new ATOM 0 HH2 TRP A 118 16.650 -2.832 2.382 1.00 0.00 H new ATOM 1588 N SER A 119 15.457 4.814 -0.817 1.00 0.00 N ATOM 1589 CA SER A 119 15.903 6.195 -0.764 1.00 0.00 C ATOM 1590 C SER A 119 17.373 6.227 -0.419 1.00 0.00 C ATOM 1591 O SER A 119 17.800 5.659 0.587 1.00 0.00 O ATOM 1592 CB SER A 119 15.126 7.053 0.207 1.00 0.00 C ATOM 1593 OG SER A 119 14.312 6.275 1.064 1.00 0.00 O ATOM 0 H SER A 119 15.015 4.465 0.033 1.00 0.00 H new ATOM 0 HA SER A 119 15.723 6.623 -1.750 1.00 0.00 H new ATOM 0 HB2 SER A 119 15.820 7.645 0.804 1.00 0.00 H new ATOM 0 HB3 SER A 119 14.503 7.755 -0.347 1.00 0.00 H new ATOM 0 HG SER A 119 14.095 6.792 1.868 1.00 0.00 H new ATOM 1599 N ASP A 120 18.090 6.955 -1.263 1.00 0.00 N ATOM 1600 CA ASP A 120 19.529 6.960 -1.366 1.00 0.00 C ATOM 1601 C ASP A 120 19.704 6.281 -2.665 1.00 0.00 C ATOM 1602 O ASP A 120 18.897 6.610 -3.552 1.00 0.00 O ATOM 1603 CB ASP A 120 20.212 6.321 -0.163 1.00 0.00 C ATOM 1604 CG ASP A 120 19.952 7.083 1.124 1.00 0.00 C ATOM 1605 OD1 ASP A 120 19.529 6.450 2.114 1.00 0.00 O ATOM 1606 OD2 ASP A 120 20.175 8.312 1.141 1.00 0.00 O ATOM 0 H ASP A 120 17.651 7.591 -1.929 1.00 0.00 H new ATOM 0 HA ASP A 120 20.007 7.939 -1.345 1.00 0.00 H new ATOM 0 HB2 ASP A 120 19.860 5.295 -0.052 1.00 0.00 H new ATOM 0 HB3 ASP A 120 21.286 6.272 -0.342 1.00 0.00 H new ATOM 1611 N PRO A 121 20.433 5.205 -2.862 1.00 0.00 N ATOM 1612 CA PRO A 121 21.540 4.652 -2.063 1.00 0.00 C ATOM 1613 C PRO A 121 22.718 5.614 -1.951 1.00 0.00 C ATOM 1614 O PRO A 121 22.711 6.691 -2.546 1.00 0.00 O ATOM 1615 CB PRO A 121 21.973 3.474 -2.929 1.00 0.00 C ATOM 1616 CG PRO A 121 21.721 3.996 -4.294 1.00 0.00 C ATOM 1617 CD PRO A 121 20.401 4.664 -4.167 1.00 0.00 C ATOM 0 HA PRO A 121 21.239 4.422 -1.041 1.00 0.00 H new ATOM 0 HB2 PRO A 121 23.021 3.217 -2.776 1.00 0.00 H new ATOM 0 HB3 PRO A 121 21.391 2.576 -2.720 1.00 0.00 H new ATOM 0 HG2 PRO A 121 22.497 4.695 -4.607 1.00 0.00 H new ATOM 0 HG3 PRO A 121 21.697 3.195 -5.033 1.00 0.00 H new ATOM 0 HD2 PRO A 121 20.269 5.440 -4.921 1.00 0.00 H new ATOM 0 HD3 PRO A 121 19.580 3.958 -4.289 1.00 0.00 H new ATOM 1625 N PRO A 122 23.764 5.218 -1.212 1.00 0.00 N ATOM 1626 CA PRO A 122 24.947 6.041 -1.034 1.00 0.00 C ATOM 1627 C PRO A 122 25.963 5.864 -2.142 1.00 0.00 C ATOM 1628 O PRO A 122 25.775 5.074 -3.066 1.00 0.00 O ATOM 1629 CB PRO A 122 25.537 5.537 0.277 1.00 0.00 C ATOM 1630 CG PRO A 122 25.043 4.134 0.440 1.00 0.00 C ATOM 1631 CD PRO A 122 23.857 3.952 -0.469 1.00 0.00 C ATOM 0 HA PRO A 122 24.692 7.101 -1.040 1.00 0.00 H new ATOM 0 HB2 PRO A 122 26.626 5.566 0.251 1.00 0.00 H new ATOM 0 HB3 PRO A 122 25.221 6.161 1.113 1.00 0.00 H new ATOM 0 HG2 PRO A 122 25.829 3.421 0.189 1.00 0.00 H new ATOM 0 HG3 PRO A 122 24.762 3.947 1.476 1.00 0.00 H new ATOM 0 HD2 PRO A 122 23.999 3.106 -1.142 1.00 0.00 H new ATOM 0 HD3 PRO A 122 22.947 3.758 0.099 1.00 0.00 H new ATOM 1639 N THR A 123 27.053 6.597 -2.017 1.00 0.00 N ATOM 1640 CA THR A 123 28.161 6.489 -2.945 1.00 0.00 C ATOM 1641 C THR A 123 29.365 5.955 -2.217 1.00 0.00 C ATOM 1642 O THR A 123 29.240 5.360 -1.146 1.00 0.00 O ATOM 1643 CB THR A 123 28.477 7.839 -3.595 1.00 0.00 C ATOM 1644 OG1 THR A 123 27.447 8.779 -3.336 1.00 0.00 O ATOM 1645 CG2 THR A 123 28.645 7.750 -5.096 1.00 0.00 C ATOM 0 H THR A 123 27.195 7.280 -1.273 1.00 0.00 H new ATOM 0 HA THR A 123 27.885 5.802 -3.745 1.00 0.00 H new ATOM 0 HB THR A 123 29.421 8.158 -3.153 1.00 0.00 H new ATOM 0 HG1 THR A 123 27.671 9.634 -3.759 1.00 0.00 H new ATOM 0 HG21 THR A 123 28.867 8.739 -5.497 1.00 0.00 H new ATOM 0 HG22 THR A 123 29.465 7.071 -5.331 1.00 0.00 H new ATOM 0 HG23 THR A 123 27.724 7.376 -5.544 1.00 0.00 H new ATOM 1653 N CYS A 124 30.521 6.124 -2.806 1.00 0.00 N ATOM 1654 CA CYS A 124 31.712 5.566 -2.229 1.00 0.00 C ATOM 1655 C CYS A 124 32.950 6.079 -2.944 1.00 0.00 C ATOM 1656 O CYS A 124 33.408 5.499 -3.928 1.00 0.00 O ATOM 1657 CB CYS A 124 31.597 4.051 -2.303 1.00 0.00 C ATOM 1658 SG CYS A 124 32.625 3.168 -1.097 1.00 0.00 S ATOM 0 H CYS A 124 30.661 6.638 -3.676 1.00 0.00 H new ATOM 0 HA CYS A 124 31.814 5.871 -1.187 1.00 0.00 H new ATOM 0 HB2 CYS A 124 30.555 3.769 -2.151 1.00 0.00 H new ATOM 0 HB3 CYS A 124 31.872 3.725 -3.306 1.00 0.00 H new ATOM 1663 N GLN A 125 33.455 7.204 -2.455 1.00 0.00 N ATOM 1664 CA GLN A 125 34.607 7.857 -3.048 1.00 0.00 C ATOM 1665 C GLN A 125 35.772 7.911 -2.074 1.00 0.00 C ATOM 1666 O GLN A 125 35.645 7.539 -0.908 1.00 0.00 O ATOM 1667 CB GLN A 125 34.229 9.275 -3.481 1.00 0.00 C ATOM 1668 CG GLN A 125 33.650 9.346 -4.882 1.00 0.00 C ATOM 1669 CD GLN A 125 32.907 10.641 -5.143 1.00 0.00 C ATOM 1670 OE1 GLN A 125 33.518 11.688 -5.359 1.00 0.00 O ATOM 1671 NE2 GLN A 125 31.580 10.576 -5.127 1.00 0.00 N ATOM 0 H GLN A 125 33.077 7.685 -1.639 1.00 0.00 H new ATOM 0 HA GLN A 125 34.918 7.277 -3.917 1.00 0.00 H new ATOM 0 HB2 GLN A 125 33.504 9.681 -2.776 1.00 0.00 H new ATOM 0 HB3 GLN A 125 35.113 9.910 -3.429 1.00 0.00 H new ATOM 0 HG2 GLN A 125 34.455 9.241 -5.609 1.00 0.00 H new ATOM 0 HG3 GLN A 125 32.972 8.506 -5.034 1.00 0.00 H new ATOM 0 HE21 GLN A 125 31.115 9.687 -4.944 1.00 0.00 H new ATOM 0 HE22 GLN A 125 31.026 11.415 -5.298 1.00 0.00 H new ATOM 1680 N ILE A 126 36.908 8.371 -2.570 1.00 0.00 N ATOM 1681 CA ILE A 126 38.111 8.477 -1.763 1.00 0.00 C ATOM 1682 C ILE A 126 38.142 9.799 -1.004 1.00 0.00 C ATOM 1683 O ILE A 126 39.049 10.611 -1.187 1.00 0.00 O ATOM 1684 CB ILE A 126 39.367 8.351 -2.643 1.00 0.00 C ATOM 1685 CG1 ILE A 126 39.382 6.994 -3.338 1.00 0.00 C ATOM 1686 CG2 ILE A 126 40.631 8.546 -1.819 1.00 0.00 C ATOM 1687 CD1 ILE A 126 39.440 5.821 -2.383 1.00 0.00 C ATOM 0 H ILE A 126 37.022 8.679 -3.536 1.00 0.00 H new ATOM 0 HA ILE A 126 38.101 7.660 -1.041 1.00 0.00 H new ATOM 0 HB ILE A 126 39.339 9.134 -3.401 1.00 0.00 H new ATOM 0 HG12 ILE A 126 38.490 6.903 -3.957 1.00 0.00 H new ATOM 0 HG13 ILE A 126 40.241 6.948 -4.008 1.00 0.00 H new ATOM 0 HG21 ILE A 126 41.504 8.452 -2.465 1.00 0.00 H new ATOM 0 HG22 ILE A 126 40.620 9.537 -1.365 1.00 0.00 H new ATOM 0 HG23 ILE A 126 40.675 7.789 -1.036 1.00 0.00 H new ATOM 0 HD11 ILE A 126 39.448 4.890 -2.950 1.00 0.00 H new ATOM 0 HD12 ILE A 126 40.346 5.887 -1.781 1.00 0.00 H new ATOM 0 HD13 ILE A 126 38.568 5.840 -1.729 1.00 0.00 H new