USER MOD reduce.3.24.130724 H: found=0, std=0, add=870, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 873 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 80 THR OG1 : rot -160:sc= -1.38 USER MOD Set 1.2: A 82 MET CE :methyl 141:sc= -0.237 (180deg=-0.791) USER MOD Set 2.1: A 4 MET CE :methyl -154:sc= -0.501 (180deg=0) USER MOD Set 2.2: A 46 TYR OH : rot 30:sc= -0.333 USER MOD Set 3.1: A 37 THR OG1 : rot 94:sc= -0.892 USER MOD Set 3.2: A 79 CYS SG : rot 36:sc= 0.805 USER MOD Set 4.1: A 9 HIS :FLIP no HD1:sc= -0.36 F(o=-2.8,f=-1) USER MOD Set 4.2: A 13 GLN : amide:sc= -0.648 K(o=-1,f=-3.3) USER MOD Single : A 7 HIS : no HE2:sc= -4.82! C(o=-4.8!,f=-4.7!) USER MOD Single : A 10 ASN : amide:sc= -1.72 K(o=-1.7,f=-7.5!) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=-0.067) USER MOD Single : A 20 SER OG : rot 88:sc= 1.22 USER MOD Single : A 32 HIS :FLIP no HE2:sc= -0.285 F(o=-0.85,f=-0.28) USER MOD Single : A 38 CYS SG : rot 151:sc= -3.6 USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 MET CE :methyl -110:sc= -3.48! (180deg=-8.28!) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 149:sc= -1.16 (180deg=-2.58) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -0.023 K(o=-0.023,f=-1.4) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -5.41 K(o=-5.4,f=-12!) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 HIS :FLIP no HD1:sc= -0.524 F(o=-1.8,f=-0.52) USER MOD Single : A 91 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 ASN : amide:sc= 0.324 K(o=0.32,f=-5.2!) USER MOD Single : A 106 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 GLN : amide:sc= -0.0109 X(o=-0.011,f=0) USER MOD Single : A 112 MET CE :methyl -152:sc= -7.96! (180deg=-9.49!) USER MOD Single : A 118 THR OG1 : rot 16:sc= 0.658 USER MOD Single : A 120 TYR OH : rot 180:sc= -1.79 USER MOD ----------------------------------------------------------------- ATOM 35 N MET A 4 -8.378 8.941 -10.434 1.00 0.00 N ATOM 36 CA MET A 4 -8.476 7.494 -10.273 1.00 0.00 C ATOM 37 C MET A 4 -7.737 7.035 -9.021 1.00 0.00 C ATOM 38 O MET A 4 -8.354 6.588 -8.055 1.00 0.00 O ATOM 39 CB MET A 4 -7.912 6.783 -11.504 1.00 0.00 C ATOM 40 CG MET A 4 -8.957 6.483 -12.567 1.00 0.00 C ATOM 41 SD MET A 4 -9.765 7.972 -13.185 1.00 0.00 S ATOM 42 CE MET A 4 -8.847 8.252 -14.697 1.00 0.00 C ATOM 0 HA MET A 4 -9.529 7.236 -10.165 1.00 0.00 H new ATOM 0 HB2 MET A 4 -7.128 7.400 -11.942 1.00 0.00 H new ATOM 0 HB3 MET A 4 -7.445 5.849 -11.191 1.00 0.00 H new ATOM 0 HG2 MET A 4 -8.485 5.959 -13.398 1.00 0.00 H new ATOM 0 HG3 MET A 4 -9.709 5.811 -12.153 1.00 0.00 H new ATOM 0 HE1 MET A 4 -8.878 9.312 -14.950 1.00 0.00 H new ATOM 0 HE2 MET A 4 -7.811 7.942 -14.557 1.00 0.00 H new ATOM 0 HE3 MET A 4 -9.293 7.673 -15.506 1.00 0.00 H new ATOM 52 N LEU A 5 -6.411 7.148 -9.046 1.00 0.00 N ATOM 53 CA LEU A 5 -5.583 6.742 -7.918 1.00 0.00 C ATOM 54 C LEU A 5 -6.099 7.342 -6.608 1.00 0.00 C ATOM 55 O LEU A 5 -5.912 8.528 -6.345 1.00 0.00 O ATOM 56 CB LEU A 5 -4.133 7.174 -8.148 1.00 0.00 C ATOM 57 CG LEU A 5 -3.953 8.616 -8.630 1.00 0.00 C ATOM 58 CD1 LEU A 5 -3.603 9.530 -7.465 1.00 0.00 C ATOM 59 CD2 LEU A 5 -2.879 8.688 -9.707 1.00 0.00 C ATOM 0 H LEU A 5 -5.888 7.519 -9.839 1.00 0.00 H new ATOM 0 HA LEU A 5 -5.631 5.656 -7.840 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -3.580 7.047 -7.217 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -3.682 6.504 -8.880 1.00 0.00 H new ATOM 0 HG LEU A 5 -4.896 8.955 -9.060 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -3.479 10.550 -7.828 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -4.405 9.502 -6.727 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -2.674 9.193 -7.005 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -2.764 9.720 -10.038 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -1.933 8.330 -9.302 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -3.170 8.066 -10.553 1.00 0.00 H new ATOM 71 N PRO A 6 -6.762 6.525 -5.767 1.00 0.00 N ATOM 72 CA PRO A 6 -7.305 6.988 -4.483 1.00 0.00 C ATOM 73 C PRO A 6 -6.219 7.526 -3.558 1.00 0.00 C ATOM 74 O PRO A 6 -5.198 6.877 -3.340 1.00 0.00 O ATOM 75 CB PRO A 6 -7.942 5.729 -3.882 1.00 0.00 C ATOM 76 CG PRO A 6 -8.156 4.813 -5.037 1.00 0.00 C ATOM 77 CD PRO A 6 -7.037 5.096 -5.995 1.00 0.00 C ATOM 0 HA PRO A 6 -8.006 7.812 -4.614 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -7.290 5.276 -3.135 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -8.883 5.963 -3.384 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -8.143 3.771 -4.717 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -9.125 4.991 -5.503 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -6.163 4.478 -5.789 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -7.329 4.900 -7.027 1.00 0.00 H new ATOM 85 N HIS A 7 -6.445 8.720 -3.017 1.00 0.00 N ATOM 86 CA HIS A 7 -5.481 9.342 -2.116 1.00 0.00 C ATOM 87 C HIS A 7 -6.013 9.384 -0.686 1.00 0.00 C ATOM 88 O HIS A 7 -7.100 8.882 -0.401 1.00 0.00 O ATOM 89 CB HIS A 7 -5.149 10.759 -2.594 1.00 0.00 C ATOM 90 CG HIS A 7 -3.684 11.002 -2.783 1.00 0.00 C ATOM 91 ND1 HIS A 7 -2.869 11.496 -1.786 1.00 0.00 N ATOM 92 CD2 HIS A 7 -2.888 10.819 -3.862 1.00 0.00 C ATOM 93 CE1 HIS A 7 -1.634 11.607 -2.245 1.00 0.00 C ATOM 94 NE2 HIS A 7 -1.619 11.203 -3.502 1.00 0.00 N ATOM 0 H HIS A 7 -7.284 9.274 -3.186 1.00 0.00 H new ATOM 0 HA HIS A 7 -4.573 8.739 -2.124 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -5.664 10.945 -3.537 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -5.537 11.477 -1.872 1.00 0.00 H new ATOM 0 HD1 HIS A 7 -3.172 11.738 -0.842 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -3.193 10.441 -4.827 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -0.782 11.967 -1.687 1.00 0.00 H new ATOM 103 N LEU A 8 -5.237 9.991 0.207 1.00 0.00 N ATOM 104 CA LEU A 8 -5.625 10.107 1.609 1.00 0.00 C ATOM 105 C LEU A 8 -5.442 11.539 2.101 1.00 0.00 C ATOM 106 O LEU A 8 -5.066 12.425 1.333 1.00 0.00 O ATOM 107 CB LEU A 8 -4.801 9.146 2.468 1.00 0.00 C ATOM 108 CG LEU A 8 -5.318 7.707 2.505 1.00 0.00 C ATOM 109 CD1 LEU A 8 -4.161 6.728 2.639 1.00 0.00 C ATOM 110 CD2 LEU A 8 -6.308 7.524 3.645 1.00 0.00 C ATOM 0 H LEU A 8 -4.334 10.411 -0.016 1.00 0.00 H new ATOM 0 HA LEU A 8 -6.679 9.843 1.696 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -3.776 9.139 2.097 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -4.768 9.531 3.487 1.00 0.00 H new ATOM 0 HG LEU A 8 -5.834 7.503 1.567 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -4.548 5.709 2.664 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -3.489 6.841 1.788 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -3.617 6.932 3.561 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -6.665 6.494 3.655 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -5.817 7.747 4.592 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -7.152 8.199 3.506 1.00 0.00 H new ATOM 122 N HIS A 9 -5.709 11.762 3.385 1.00 0.00 N ATOM 123 CA HIS A 9 -5.573 13.091 3.970 1.00 0.00 C ATOM 124 C HIS A 9 -4.885 13.025 5.331 1.00 0.00 C ATOM 125 O HIS A 9 -3.691 13.305 5.447 1.00 0.00 O ATOM 126 CB HIS A 9 -6.945 13.754 4.108 1.00 0.00 C ATOM 127 CG HIS A 9 -7.339 14.569 2.917 1.00 0.00 C ATOM 128 ND1 HIS A 9 -7.489 14.223 1.616 1.00 0.00 N flip ATOM 129 CD2 HIS A 9 -7.631 15.915 2.988 1.00 0.00 C flip ATOM 130 CE1 HIS A 9 -7.865 15.354 0.935 1.00 0.00 C flip ATOM 131 NE2 HIS A 9 -7.943 16.361 1.785 1.00 0.00 N flip ATOM 0 H HIS A 9 -6.020 11.042 4.037 1.00 0.00 H new ATOM 0 HA HIS A 9 -4.953 13.690 3.303 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -7.697 12.983 4.275 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -6.943 14.393 4.991 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -7.608 16.512 3.888 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -8.065 15.411 -0.125 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -8.200 17.320 1.552 1.00 0.00 H new ATOM 140 N ASN A 10 -5.643 12.655 6.359 1.00 0.00 N ATOM 141 CA ASN A 10 -5.105 12.557 7.710 1.00 0.00 C ATOM 142 C ASN A 10 -5.618 11.302 8.410 1.00 0.00 C ATOM 143 O ASN A 10 -6.159 10.401 7.768 1.00 0.00 O ATOM 144 CB ASN A 10 -5.476 13.806 8.517 1.00 0.00 C ATOM 145 CG ASN A 10 -6.969 13.913 8.767 1.00 0.00 C ATOM 146 OD1 ASN A 10 -7.780 13.486 7.946 1.00 0.00 O ATOM 147 ND2 ASN A 10 -7.337 14.488 9.906 1.00 0.00 N ATOM 0 H ASN A 10 -6.632 12.418 6.281 1.00 0.00 H new ATOM 0 HA ASN A 10 -4.019 12.489 7.643 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -4.951 13.787 9.472 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -5.135 14.694 7.984 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -8.327 14.590 10.129 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -6.630 14.828 10.558 1.00 0.00 H new ATOM 154 N GLY A 11 -5.448 11.246 9.729 1.00 0.00 N ATOM 155 CA GLY A 11 -5.899 10.096 10.493 1.00 0.00 C ATOM 156 C GLY A 11 -7.317 9.683 10.148 1.00 0.00 C ATOM 157 O GLY A 11 -7.659 8.502 10.205 1.00 0.00 O ATOM 0 H GLY A 11 -5.005 11.979 10.283 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -5.226 9.258 10.311 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -5.841 10.326 11.557 1.00 0.00 H new ATOM 161 N TRP A 12 -8.145 10.658 9.785 1.00 0.00 N ATOM 162 CA TRP A 12 -9.531 10.388 9.426 1.00 0.00 C ATOM 163 C TRP A 12 -9.604 9.480 8.203 1.00 0.00 C ATOM 164 O TRP A 12 -10.209 8.409 8.247 1.00 0.00 O ATOM 165 CB TRP A 12 -10.274 11.697 9.150 1.00 0.00 C ATOM 166 CG TRP A 12 -11.002 12.231 10.346 1.00 0.00 C ATOM 167 CD1 TRP A 12 -12.353 12.263 10.536 1.00 0.00 C ATOM 168 CD2 TRP A 12 -10.417 12.810 11.518 1.00 0.00 C ATOM 169 NE1 TRP A 12 -12.645 12.827 11.755 1.00 0.00 N ATOM 170 CE2 TRP A 12 -11.473 13.170 12.377 1.00 0.00 C ATOM 171 CE3 TRP A 12 -9.103 13.058 11.926 1.00 0.00 C ATOM 172 CZ2 TRP A 12 -11.255 13.765 13.617 1.00 0.00 C ATOM 173 CZ3 TRP A 12 -8.888 13.649 13.157 1.00 0.00 C ATOM 174 CH2 TRP A 12 -9.959 13.997 13.990 1.00 0.00 C ATOM 0 H TRP A 12 -7.879 11.641 9.732 1.00 0.00 H new ATOM 0 HA TRP A 12 -10.007 9.880 10.265 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -9.561 12.445 8.804 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -10.987 11.538 8.341 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -13.086 11.898 9.831 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -13.581 12.967 12.135 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -8.271 12.793 11.291 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -12.079 14.034 14.261 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -7.877 13.846 13.482 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -9.758 14.458 14.946 1.00 0.00 H new ATOM 185 N GLN A 13 -8.979 9.915 7.114 1.00 0.00 N ATOM 186 CA GLN A 13 -8.970 9.141 5.878 1.00 0.00 C ATOM 187 C GLN A 13 -8.097 7.899 6.027 1.00 0.00 C ATOM 188 O GLN A 13 -8.422 6.832 5.505 1.00 0.00 O ATOM 189 CB GLN A 13 -8.464 9.998 4.717 1.00 0.00 C ATOM 190 CG GLN A 13 -9.502 10.969 4.180 1.00 0.00 C ATOM 191 CD GLN A 13 -9.428 11.130 2.675 1.00 0.00 C ATOM 192 OE1 GLN A 13 -9.341 12.246 2.161 1.00 0.00 O ATOM 193 NE2 GLN A 13 -9.461 10.013 1.958 1.00 0.00 N ATOM 0 H GLN A 13 -8.472 10.799 7.062 1.00 0.00 H new ATOM 0 HA GLN A 13 -9.992 8.826 5.666 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -7.589 10.559 5.045 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -8.138 9.344 3.908 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -10.497 10.620 4.456 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -9.363 11.941 4.653 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -9.534 9.109 2.425 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -9.414 10.059 0.940 1.00 0.00 H new ATOM 202 N VAL A 14 -6.989 8.043 6.747 1.00 0.00 N ATOM 203 CA VAL A 14 -6.071 6.932 6.969 1.00 0.00 C ATOM 204 C VAL A 14 -6.755 5.808 7.738 1.00 0.00 C ATOM 205 O VAL A 14 -6.709 4.646 7.332 1.00 0.00 O ATOM 206 CB VAL A 14 -4.817 7.383 7.742 1.00 0.00 C ATOM 207 CG1 VAL A 14 -3.808 6.248 7.833 1.00 0.00 C ATOM 208 CG2 VAL A 14 -4.195 8.607 7.087 1.00 0.00 C ATOM 0 H VAL A 14 -6.705 8.919 7.187 1.00 0.00 H new ATOM 0 HA VAL A 14 -5.767 6.568 5.988 1.00 0.00 H new ATOM 0 HB VAL A 14 -5.116 7.655 8.754 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -2.929 6.586 8.382 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -4.258 5.402 8.353 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -3.513 5.942 6.829 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -3.311 8.910 7.648 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -3.910 8.366 6.063 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -4.918 9.423 7.081 1.00 0.00 H new ATOM 218 N ASP A 15 -7.393 6.161 8.851 1.00 0.00 N ATOM 219 CA ASP A 15 -8.090 5.182 9.676 1.00 0.00 C ATOM 220 C ASP A 15 -9.154 4.453 8.862 1.00 0.00 C ATOM 221 O ASP A 15 -9.431 3.275 9.096 1.00 0.00 O ATOM 222 CB ASP A 15 -8.735 5.867 10.882 1.00 0.00 C ATOM 223 CG ASP A 15 -7.715 6.276 11.927 1.00 0.00 C ATOM 224 OD1 ASP A 15 -6.528 6.431 11.570 1.00 0.00 O ATOM 225 OD2 ASP A 15 -8.103 6.441 13.102 1.00 0.00 O ATOM 0 H ASP A 15 -7.441 7.118 9.201 1.00 0.00 H new ATOM 0 HA ASP A 15 -7.361 4.453 10.030 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -9.281 6.749 10.547 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -9.463 5.193 11.333 1.00 0.00 H new ATOM 230 N GLN A 16 -9.743 5.159 7.902 1.00 0.00 N ATOM 231 CA GLN A 16 -10.771 4.580 7.048 1.00 0.00 C ATOM 232 C GLN A 16 -10.145 3.699 5.971 1.00 0.00 C ATOM 233 O GLN A 16 -10.754 2.731 5.515 1.00 0.00 O ATOM 234 CB GLN A 16 -11.607 5.684 6.399 1.00 0.00 C ATOM 235 CG GLN A 16 -13.065 5.305 6.198 1.00 0.00 C ATOM 236 CD GLN A 16 -13.911 6.473 5.727 1.00 0.00 C ATOM 237 OE1 GLN A 16 -13.506 7.232 4.847 1.00 0.00 O ATOM 238 NE2 GLN A 16 -15.094 6.621 6.313 1.00 0.00 N ATOM 0 H GLN A 16 -9.525 6.134 7.697 1.00 0.00 H new ATOM 0 HA GLN A 16 -11.420 3.962 7.668 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -11.555 6.579 7.019 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -11.170 5.939 5.433 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -13.130 4.497 5.469 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -13.470 4.922 7.135 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -15.389 5.968 7.038 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -15.707 7.388 6.037 1.00 0.00 H new ATOM 247 N ALA A 17 -8.924 4.041 5.570 1.00 0.00 N ATOM 248 CA ALA A 17 -8.215 3.280 4.550 1.00 0.00 C ATOM 249 C ALA A 17 -8.002 1.838 4.996 1.00 0.00 C ATOM 250 O ALA A 17 -8.160 0.905 4.209 1.00 0.00 O ATOM 251 CB ALA A 17 -6.881 3.939 4.231 1.00 0.00 C ATOM 0 H ALA A 17 -8.406 4.840 5.936 1.00 0.00 H new ATOM 0 HA ALA A 17 -8.826 3.269 3.647 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -6.362 3.359 3.467 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -7.054 4.951 3.864 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -6.270 3.980 5.133 1.00 0.00 H new ATOM 257 N ILE A 18 -7.646 1.664 6.265 1.00 0.00 N ATOM 258 CA ILE A 18 -7.417 0.334 6.817 1.00 0.00 C ATOM 259 C ILE A 18 -8.673 -0.524 6.707 1.00 0.00 C ATOM 260 O ILE A 18 -8.622 -1.662 6.241 1.00 0.00 O ATOM 261 CB ILE A 18 -6.983 0.405 8.294 1.00 0.00 C ATOM 262 CG1 ILE A 18 -5.800 1.363 8.457 1.00 0.00 C ATOM 263 CG2 ILE A 18 -6.623 -0.982 8.809 1.00 0.00 C ATOM 264 CD1 ILE A 18 -5.901 2.244 9.683 1.00 0.00 C ATOM 0 H ILE A 18 -7.510 2.426 6.929 1.00 0.00 H new ATOM 0 HA ILE A 18 -6.615 -0.120 6.235 1.00 0.00 H new ATOM 0 HB ILE A 18 -7.818 0.785 8.883 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -4.878 0.784 8.511 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -5.729 1.994 7.571 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -6.319 -0.915 9.853 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -7.490 -1.638 8.725 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -5.802 -1.388 8.217 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -5.030 2.897 9.735 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -6.805 2.850 9.622 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -5.941 1.621 10.576 1.00 0.00 H new ATOM 276 N LEU A 19 -9.800 0.034 7.136 1.00 0.00 N ATOM 277 CA LEU A 19 -11.073 -0.675 7.083 1.00 0.00 C ATOM 278 C LEU A 19 -11.618 -0.725 5.657 1.00 0.00 C ATOM 279 O LEU A 19 -12.537 -1.488 5.362 1.00 0.00 O ATOM 280 CB LEU A 19 -12.092 -0.004 8.006 1.00 0.00 C ATOM 281 CG LEU A 19 -12.076 -0.495 9.455 1.00 0.00 C ATOM 282 CD1 LEU A 19 -10.699 -0.296 10.070 1.00 0.00 C ATOM 283 CD2 LEU A 19 -13.136 0.226 10.273 1.00 0.00 C ATOM 0 H LEU A 19 -9.858 0.975 7.524 1.00 0.00 H new ATOM 0 HA LEU A 19 -10.901 -1.697 7.420 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -11.911 1.071 8.001 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -13.090 -0.162 7.596 1.00 0.00 H new ATOM 0 HG LEU A 19 -12.304 -1.561 9.461 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -10.706 -0.651 11.101 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -9.960 -0.858 9.498 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -10.442 0.763 10.053 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -13.111 -0.136 11.301 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -12.939 1.298 10.260 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -14.120 0.033 9.845 1.00 0.00 H new ATOM 295 N SER A 20 -11.048 0.094 4.775 1.00 0.00 N ATOM 296 CA SER A 20 -11.480 0.140 3.384 1.00 0.00 C ATOM 297 C SER A 20 -10.803 -0.956 2.565 1.00 0.00 C ATOM 298 O SER A 20 -10.139 -0.680 1.566 1.00 0.00 O ATOM 299 CB SER A 20 -11.175 1.512 2.779 1.00 0.00 C ATOM 300 OG SER A 20 -12.091 2.489 3.240 1.00 0.00 O ATOM 0 H SER A 20 -10.286 0.734 5.001 1.00 0.00 H new ATOM 0 HA SER A 20 -12.557 -0.029 3.358 1.00 0.00 H new ATOM 0 HB2 SER A 20 -10.159 1.810 3.040 1.00 0.00 H new ATOM 0 HB3 SER A 20 -11.220 1.451 1.692 1.00 0.00 H new ATOM 0 HG SER A 20 -11.760 2.879 4.076 1.00 0.00 H new ATOM 306 N GLU A 21 -10.980 -2.200 2.996 1.00 0.00 N ATOM 307 CA GLU A 21 -10.389 -3.342 2.303 1.00 0.00 C ATOM 308 C GLU A 21 -11.137 -3.651 1.006 1.00 0.00 C ATOM 309 O GLU A 21 -10.716 -4.509 0.230 1.00 0.00 O ATOM 310 CB GLU A 21 -10.393 -4.572 3.212 1.00 0.00 C ATOM 311 CG GLU A 21 -9.209 -4.628 4.164 1.00 0.00 C ATOM 312 CD GLU A 21 -9.583 -5.179 5.527 1.00 0.00 C ATOM 313 OE1 GLU A 21 -10.296 -6.202 5.578 1.00 0.00 O ATOM 314 OE2 GLU A 21 -9.162 -4.585 6.542 1.00 0.00 O ATOM 0 H GLU A 21 -11.527 -2.445 3.821 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.360 -3.084 2.050 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -11.316 -4.582 3.792 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -10.395 -5.470 2.594 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.426 -5.248 3.728 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -8.795 -3.627 4.282 1.00 0.00 H new ATOM 321 N GLU A 22 -12.247 -2.952 0.776 1.00 0.00 N ATOM 322 CA GLU A 22 -13.050 -3.155 -0.425 1.00 0.00 C ATOM 323 C GLU A 22 -13.655 -4.558 -0.448 1.00 0.00 C ATOM 324 O GLU A 22 -14.814 -4.746 -0.079 1.00 0.00 O ATOM 325 CB GLU A 22 -12.205 -2.915 -1.681 1.00 0.00 C ATOM 326 CG GLU A 22 -12.968 -3.125 -2.979 1.00 0.00 C ATOM 327 CD GLU A 22 -13.799 -1.918 -3.368 1.00 0.00 C ATOM 328 OE1 GLU A 22 -13.230 -0.966 -3.941 1.00 0.00 O ATOM 329 OE2 GLU A 22 -15.019 -1.925 -3.100 1.00 0.00 O ATOM 0 H GLU A 22 -12.610 -2.239 1.408 1.00 0.00 H new ATOM 0 HA GLU A 22 -13.867 -2.434 -0.412 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -11.817 -1.897 -1.658 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -11.345 -3.584 -1.663 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -12.262 -3.349 -3.779 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -13.620 -3.993 -2.877 1.00 0.00 H new ATOM 336 N ASP A 23 -12.872 -5.540 -0.886 1.00 0.00 N ATOM 337 CA ASP A 23 -13.351 -6.917 -0.954 1.00 0.00 C ATOM 338 C ASP A 23 -12.235 -7.925 -0.675 1.00 0.00 C ATOM 339 O ASP A 23 -12.436 -9.132 -0.820 1.00 0.00 O ATOM 340 CB ASP A 23 -13.956 -7.191 -2.330 1.00 0.00 C ATOM 341 CG ASP A 23 -15.113 -8.169 -2.270 1.00 0.00 C ATOM 342 OD1 ASP A 23 -14.858 -9.382 -2.112 1.00 0.00 O ATOM 343 OD2 ASP A 23 -16.274 -7.722 -2.380 1.00 0.00 O ATOM 0 H ASP A 23 -11.909 -5.409 -1.197 1.00 0.00 H new ATOM 0 HA ASP A 23 -14.111 -7.038 -0.182 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -14.299 -6.253 -2.766 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -13.184 -7.586 -2.991 1.00 0.00 H new ATOM 348 N ARG A 24 -11.063 -7.438 -0.278 1.00 0.00 N ATOM 349 CA ARG A 24 -9.937 -8.320 0.011 1.00 0.00 C ATOM 350 C ARG A 24 -8.919 -7.644 0.925 1.00 0.00 C ATOM 351 O ARG A 24 -8.888 -7.898 2.129 1.00 0.00 O ATOM 352 CB ARG A 24 -9.266 -8.770 -1.289 1.00 0.00 C ATOM 353 CG ARG A 24 -8.088 -9.709 -1.075 1.00 0.00 C ATOM 354 CD ARG A 24 -8.296 -11.043 -1.776 1.00 0.00 C ATOM 355 NE ARG A 24 -9.419 -11.790 -1.211 1.00 0.00 N ATOM 356 CZ ARG A 24 -10.635 -11.842 -1.755 1.00 0.00 C ATOM 357 NH1 ARG A 24 -10.904 -11.185 -2.878 1.00 0.00 N ATOM 358 NH2 ARG A 24 -11.590 -12.552 -1.171 1.00 0.00 N ATOM 0 H ARG A 24 -10.869 -6.445 -0.150 1.00 0.00 H new ATOM 0 HA ARG A 24 -10.325 -9.195 0.532 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -10.006 -9.267 -1.917 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -8.924 -7.891 -1.835 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -7.177 -9.240 -1.448 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -7.946 -9.877 -0.007 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -8.473 -10.871 -2.838 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -7.387 -11.640 -1.697 1.00 0.00 H new ATOM 0 HE ARG A 24 -9.262 -12.305 -0.344 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -10.176 -10.634 -3.333 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -11.838 -11.232 -3.285 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -11.394 -13.057 -0.307 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -12.521 -12.593 -1.586 1.00 0.00 H new ATOM 372 N VAL A 25 -8.085 -6.791 0.346 1.00 0.00 N ATOM 373 CA VAL A 25 -7.057 -6.090 1.111 1.00 0.00 C ATOM 374 C VAL A 25 -7.035 -4.599 0.777 1.00 0.00 C ATOM 375 O VAL A 25 -7.900 -4.098 0.059 1.00 0.00 O ATOM 376 CB VAL A 25 -5.650 -6.684 0.860 1.00 0.00 C ATOM 377 CG1 VAL A 25 -5.146 -7.407 2.099 1.00 0.00 C ATOM 378 CG2 VAL A 25 -5.652 -7.620 -0.342 1.00 0.00 C ATOM 0 H VAL A 25 -8.098 -6.566 -0.649 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.312 -6.220 2.163 1.00 0.00 H new ATOM 0 HB VAL A 25 -4.973 -5.858 0.640 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -4.156 -7.818 1.903 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -5.090 -6.706 2.932 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -5.831 -8.216 2.352 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -4.650 -8.021 -0.493 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -6.348 -8.440 -0.164 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -5.960 -7.070 -1.231 1.00 0.00 H new ATOM 388 N VAL A 26 -6.029 -3.901 1.299 1.00 0.00 N ATOM 389 CA VAL A 26 -5.876 -2.486 1.063 1.00 0.00 C ATOM 390 C VAL A 26 -4.417 -2.058 1.214 1.00 0.00 C ATOM 391 O VAL A 26 -3.814 -2.227 2.274 1.00 0.00 O ATOM 392 CB VAL A 26 -6.769 -1.651 2.005 1.00 0.00 C ATOM 393 CG1 VAL A 26 -6.519 -2.026 3.457 1.00 0.00 C ATOM 394 CG2 VAL A 26 -6.546 -0.160 1.785 1.00 0.00 C ATOM 0 H VAL A 26 -5.306 -4.307 1.893 1.00 0.00 H new ATOM 0 HA VAL A 26 -6.194 -2.298 0.037 1.00 0.00 H new ATOM 0 HB VAL A 26 -7.810 -1.874 1.771 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -7.159 -1.425 4.103 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.744 -3.082 3.604 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -5.474 -1.840 3.706 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.187 0.407 2.460 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -5.503 0.085 1.983 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -6.789 0.096 0.754 1.00 0.00 H new ATOM 404 N VAL A 27 -3.858 -1.511 0.140 1.00 0.00 N ATOM 405 CA VAL A 27 -2.469 -1.063 0.134 1.00 0.00 C ATOM 406 C VAL A 27 -2.352 0.393 0.579 1.00 0.00 C ATOM 407 O VAL A 27 -3.245 1.203 0.332 1.00 0.00 O ATOM 408 CB VAL A 27 -1.843 -1.213 -1.267 1.00 0.00 C ATOM 409 CG1 VAL A 27 -0.396 -0.741 -1.269 1.00 0.00 C ATOM 410 CG2 VAL A 27 -1.940 -2.655 -1.742 1.00 0.00 C ATOM 0 H VAL A 27 -4.348 -1.366 -0.743 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.929 -1.695 0.839 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.403 -0.584 -1.959 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.023 -0.857 -2.268 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.355 0.309 -0.978 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.182 -1.336 -0.562 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.493 -2.743 -2.732 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.409 -3.304 -1.046 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.987 -2.953 -1.789 1.00 0.00 H new ATOM 420 N ILE A 28 -1.238 0.714 1.232 1.00 0.00 N ATOM 421 CA ILE A 28 -0.988 2.068 1.711 1.00 0.00 C ATOM 422 C ILE A 28 0.498 2.407 1.627 1.00 0.00 C ATOM 423 O ILE A 28 1.299 1.920 2.425 1.00 0.00 O ATOM 424 CB ILE A 28 -1.456 2.248 3.169 1.00 0.00 C ATOM 425 CG1 ILE A 28 -2.886 1.731 3.344 1.00 0.00 C ATOM 426 CG2 ILE A 28 -1.364 3.710 3.578 1.00 0.00 C ATOM 427 CD1 ILE A 28 -2.957 0.278 3.758 1.00 0.00 C ATOM 0 H ILE A 28 -0.492 0.051 1.442 1.00 0.00 H new ATOM 0 HA ILE A 28 -1.557 2.741 1.070 1.00 0.00 H new ATOM 0 HB ILE A 28 -0.800 1.665 3.816 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -3.394 2.339 4.092 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -3.428 1.860 2.407 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -1.698 3.821 4.610 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -0.331 4.047 3.493 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -1.997 4.311 2.925 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -4.000 -0.020 3.863 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -2.478 -0.340 2.999 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -2.444 0.146 4.711 1.00 0.00 H new ATOM 439 N ARG A 29 0.860 3.240 0.656 1.00 0.00 N ATOM 440 CA ARG A 29 2.252 3.634 0.475 1.00 0.00 C ATOM 441 C ARG A 29 2.556 4.929 1.224 1.00 0.00 C ATOM 442 O ARG A 29 1.693 5.796 1.360 1.00 0.00 O ATOM 443 CB ARG A 29 2.571 3.799 -1.015 1.00 0.00 C ATOM 444 CG ARG A 29 1.955 5.041 -1.641 1.00 0.00 C ATOM 445 CD ARG A 29 2.973 6.165 -1.760 1.00 0.00 C ATOM 446 NE ARG A 29 2.408 7.353 -2.396 1.00 0.00 N ATOM 447 CZ ARG A 29 2.106 7.428 -3.691 1.00 0.00 C ATOM 448 NH1 ARG A 29 2.303 6.385 -4.487 1.00 0.00 N ATOM 449 NH2 ARG A 29 1.605 8.550 -4.191 1.00 0.00 N ATOM 0 H ARG A 29 0.212 3.653 -0.014 1.00 0.00 H new ATOM 0 HA ARG A 29 2.882 2.845 0.886 1.00 0.00 H new ATOM 0 HB2 ARG A 29 3.653 3.837 -1.143 1.00 0.00 H new ATOM 0 HB3 ARG A 29 2.217 2.919 -1.552 1.00 0.00 H new ATOM 0 HG2 ARG A 29 1.563 4.797 -2.628 1.00 0.00 H new ATOM 0 HG3 ARG A 29 1.111 5.375 -1.037 1.00 0.00 H new ATOM 0 HD2 ARG A 29 3.342 6.426 -0.768 1.00 0.00 H new ATOM 0 HD3 ARG A 29 3.830 5.818 -2.337 1.00 0.00 H new ATOM 0 HE ARG A 29 2.235 8.173 -1.814 1.00 0.00 H new ATOM 0 HH11 ARG A 29 2.688 5.520 -4.108 1.00 0.00 H new ATOM 0 HH12 ARG A 29 2.070 6.448 -5.478 1.00 0.00 H new ATOM 0 HH21 ARG A 29 1.451 9.355 -3.584 1.00 0.00 H new ATOM 0 HH22 ARG A 29 1.374 8.608 -5.183 1.00 0.00 H new ATOM 463 N PHE A 30 3.788 5.052 1.708 1.00 0.00 N ATOM 464 CA PHE A 30 4.206 6.240 2.442 1.00 0.00 C ATOM 465 C PHE A 30 4.994 7.185 1.543 1.00 0.00 C ATOM 466 O PHE A 30 6.031 6.815 0.992 1.00 0.00 O ATOM 467 CB PHE A 30 5.052 5.844 3.654 1.00 0.00 C ATOM 468 CG PHE A 30 4.302 5.033 4.671 1.00 0.00 C ATOM 469 CD1 PHE A 30 3.870 3.751 4.370 1.00 0.00 C ATOM 470 CD2 PHE A 30 4.030 5.551 5.927 1.00 0.00 C ATOM 471 CE1 PHE A 30 3.179 3.001 5.304 1.00 0.00 C ATOM 472 CE2 PHE A 30 3.340 4.806 6.865 1.00 0.00 C ATOM 473 CZ PHE A 30 2.914 3.529 6.552 1.00 0.00 C ATOM 0 H PHE A 30 4.514 4.343 1.605 1.00 0.00 H new ATOM 0 HA PHE A 30 3.311 6.758 2.786 1.00 0.00 H new ATOM 0 HB2 PHE A 30 5.916 5.274 3.313 1.00 0.00 H new ATOM 0 HB3 PHE A 30 5.433 6.747 4.131 1.00 0.00 H new ATOM 0 HD1 PHE A 30 4.075 3.333 3.395 1.00 0.00 H new ATOM 0 HD2 PHE A 30 4.361 6.548 6.176 1.00 0.00 H new ATOM 0 HE1 PHE A 30 2.847 2.003 5.058 1.00 0.00 H new ATOM 0 HE2 PHE A 30 3.134 5.221 7.841 1.00 0.00 H new ATOM 0 HZ PHE A 30 2.374 2.945 7.283 1.00 0.00 H new ATOM 483 N GLY A 31 4.497 8.410 1.398 1.00 0.00 N ATOM 484 CA GLY A 31 5.167 9.389 0.565 1.00 0.00 C ATOM 485 C GLY A 31 4.195 10.228 -0.241 1.00 0.00 C ATOM 486 O GLY A 31 3.070 9.804 -0.506 1.00 0.00 O ATOM 0 H GLY A 31 3.641 8.741 1.844 1.00 0.00 H new ATOM 0 HA2 GLY A 31 5.772 10.043 1.193 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.850 8.878 -0.113 1.00 0.00 H new ATOM 490 N HIS A 32 4.629 11.422 -0.629 1.00 0.00 N ATOM 491 CA HIS A 32 3.789 12.324 -1.409 1.00 0.00 C ATOM 492 C HIS A 32 3.838 11.969 -2.891 1.00 0.00 C ATOM 493 O HIS A 32 4.809 11.381 -3.367 1.00 0.00 O ATOM 494 CB HIS A 32 4.233 13.773 -1.204 1.00 0.00 C ATOM 495 CG HIS A 32 3.370 14.770 -1.916 1.00 0.00 C ATOM 496 ND1 HIS A 32 2.029 14.959 -1.891 1.00 0.00 N flip ATOM 497 CD2 HIS A 32 3.874 15.723 -2.777 1.00 0.00 C flip ATOM 498 CE1 HIS A 32 1.752 16.011 -2.728 1.00 0.00 C flip ATOM 499 NE2 HIS A 32 2.880 16.454 -3.250 1.00 0.00 N flip ATOM 0 H HIS A 32 5.557 11.788 -0.416 1.00 0.00 H new ATOM 0 HA HIS A 32 2.762 12.214 -1.062 1.00 0.00 H new ATOM 0 HB2 HIS A 32 4.230 13.998 -0.137 1.00 0.00 H new ATOM 0 HB3 HIS A 32 5.261 13.882 -1.550 1.00 0.00 H new ATOM 0 HD1 HIS A 32 1.352 14.420 -1.351 1.00 0.00 H new ATOM 0 HD2 HIS A 32 4.917 15.851 -3.025 1.00 0.00 H new ATOM 0 HE1 HIS A 32 0.769 16.412 -2.927 1.00 0.00 H new ATOM 508 N ASP A 33 2.784 12.331 -3.617 1.00 0.00 N ATOM 509 CA ASP A 33 2.705 12.052 -5.045 1.00 0.00 C ATOM 510 C ASP A 33 3.823 12.763 -5.800 1.00 0.00 C ATOM 511 O ASP A 33 3.621 13.844 -6.355 1.00 0.00 O ATOM 512 CB ASP A 33 1.345 12.482 -5.597 1.00 0.00 C ATOM 513 CG ASP A 33 0.892 11.620 -6.759 1.00 0.00 C ATOM 514 OD1 ASP A 33 1.741 11.275 -7.609 1.00 0.00 O ATOM 515 OD2 ASP A 33 -0.311 11.290 -6.820 1.00 0.00 O ATOM 0 H ASP A 33 1.972 12.819 -3.238 1.00 0.00 H new ATOM 0 HA ASP A 33 2.822 10.978 -5.187 1.00 0.00 H new ATOM 0 HB2 ASP A 33 0.602 12.434 -4.801 1.00 0.00 H new ATOM 0 HB3 ASP A 33 1.400 13.522 -5.920 1.00 0.00 H new ATOM 520 N TRP A 34 5.002 12.151 -5.815 1.00 0.00 N ATOM 521 CA TRP A 34 6.154 12.724 -6.501 1.00 0.00 C ATOM 522 C TRP A 34 7.361 11.797 -6.400 1.00 0.00 C ATOM 523 O TRP A 34 8.128 11.654 -7.353 1.00 0.00 O ATOM 524 CB TRP A 34 6.499 14.093 -5.908 1.00 0.00 C ATOM 525 CG TRP A 34 7.637 14.772 -6.607 1.00 0.00 C ATOM 526 CD1 TRP A 34 8.818 15.174 -6.051 1.00 0.00 C ATOM 527 CD2 TRP A 34 7.702 15.132 -7.992 1.00 0.00 C ATOM 528 NE1 TRP A 34 9.613 15.760 -7.006 1.00 0.00 N ATOM 529 CE2 TRP A 34 8.950 15.747 -8.206 1.00 0.00 C ATOM 530 CE3 TRP A 34 6.825 14.994 -9.072 1.00 0.00 C ATOM 531 CZ2 TRP A 34 9.342 16.222 -9.455 1.00 0.00 C ATOM 532 CZ3 TRP A 34 7.217 15.465 -10.312 1.00 0.00 C ATOM 533 CH2 TRP A 34 8.466 16.072 -10.494 1.00 0.00 C ATOM 0 H TRP A 34 5.185 11.257 -5.359 1.00 0.00 H new ATOM 0 HA TRP A 34 5.896 12.846 -7.553 1.00 0.00 H new ATOM 0 HB2 TRP A 34 5.619 14.734 -5.955 1.00 0.00 H new ATOM 0 HB3 TRP A 34 6.749 13.972 -4.854 1.00 0.00 H new ATOM 0 HD1 TRP A 34 9.087 15.049 -5.013 1.00 0.00 H new ATOM 0 HE1 TRP A 34 10.545 16.143 -6.848 1.00 0.00 H new ATOM 0 HE3 TRP A 34 5.859 14.528 -8.941 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 10.304 16.692 -9.598 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 6.549 15.363 -11.154 1.00 0.00 H new ATOM 0 HH2 TRP A 34 8.743 16.429 -11.475 1.00 0.00 H new ATOM 544 N ASP A 35 7.524 11.169 -5.239 1.00 0.00 N ATOM 545 CA ASP A 35 8.639 10.254 -5.014 1.00 0.00 C ATOM 546 C ASP A 35 8.653 9.139 -6.057 1.00 0.00 C ATOM 547 O ASP A 35 7.619 8.811 -6.642 1.00 0.00 O ATOM 548 CB ASP A 35 8.555 9.653 -3.610 1.00 0.00 C ATOM 549 CG ASP A 35 8.317 10.704 -2.543 1.00 0.00 C ATOM 550 OD1 ASP A 35 8.918 11.794 -2.640 1.00 0.00 O ATOM 551 OD2 ASP A 35 7.531 10.436 -1.611 1.00 0.00 O ATOM 0 H ASP A 35 6.899 11.277 -4.440 1.00 0.00 H new ATOM 0 HA ASP A 35 9.565 10.822 -5.106 1.00 0.00 H new ATOM 0 HB2 ASP A 35 7.749 8.920 -3.580 1.00 0.00 H new ATOM 0 HB3 ASP A 35 9.480 9.120 -3.390 1.00 0.00 H new ATOM 556 N PRO A 36 9.830 8.541 -6.306 1.00 0.00 N ATOM 557 CA PRO A 36 9.975 7.459 -7.286 1.00 0.00 C ATOM 558 C PRO A 36 9.020 6.301 -7.018 1.00 0.00 C ATOM 559 O PRO A 36 8.174 5.975 -7.849 1.00 0.00 O ATOM 560 CB PRO A 36 11.426 7.002 -7.109 1.00 0.00 C ATOM 561 CG PRO A 36 12.126 8.175 -6.514 1.00 0.00 C ATOM 562 CD PRO A 36 11.110 8.872 -5.654 1.00 0.00 C ATOM 0 HA PRO A 36 9.741 7.796 -8.296 1.00 0.00 H new ATOM 0 HB2 PRO A 36 11.489 6.131 -6.457 1.00 0.00 H new ATOM 0 HB3 PRO A 36 11.870 6.719 -8.063 1.00 0.00 H new ATOM 0 HG2 PRO A 36 12.985 7.858 -5.923 1.00 0.00 H new ATOM 0 HG3 PRO A 36 12.502 8.841 -7.291 1.00 0.00 H new ATOM 0 HD2 PRO A 36 11.141 8.515 -4.625 1.00 0.00 H new ATOM 0 HD3 PRO A 36 11.279 9.948 -5.623 1.00 0.00 H new ATOM 570 N THR A 37 9.164 5.681 -5.850 1.00 0.00 N ATOM 571 CA THR A 37 8.322 4.560 -5.468 1.00 0.00 C ATOM 572 C THR A 37 6.847 4.932 -5.548 1.00 0.00 C ATOM 573 O THR A 37 5.992 4.082 -5.800 1.00 0.00 O ATOM 574 CB THR A 37 8.665 4.097 -4.051 1.00 0.00 C ATOM 575 OG1 THR A 37 10.067 3.982 -3.885 1.00 0.00 O ATOM 576 CG2 THR A 37 8.047 2.764 -3.690 1.00 0.00 C ATOM 0 H THR A 37 9.860 5.940 -5.151 1.00 0.00 H new ATOM 0 HA THR A 37 8.510 3.745 -6.167 1.00 0.00 H new ATOM 0 HB THR A 37 8.252 4.860 -3.391 1.00 0.00 H new ATOM 0 HG1 THR A 37 10.421 4.814 -3.506 1.00 0.00 H new ATOM 0 HG21 THR A 37 8.330 2.495 -2.672 1.00 0.00 H new ATOM 0 HG22 THR A 37 6.961 2.836 -3.757 1.00 0.00 H new ATOM 0 HG23 THR A 37 8.403 1.999 -4.380 1.00 0.00 H new ATOM 584 N CYS A 38 6.558 6.210 -5.329 1.00 0.00 N ATOM 585 CA CYS A 38 5.186 6.700 -5.372 1.00 0.00 C ATOM 586 C CYS A 38 4.699 6.844 -6.811 1.00 0.00 C ATOM 587 O CYS A 38 3.510 6.695 -7.092 1.00 0.00 O ATOM 588 CB CYS A 38 5.081 8.045 -4.650 1.00 0.00 C ATOM 589 SG CYS A 38 5.360 7.949 -2.867 1.00 0.00 S ATOM 0 H CYS A 38 7.255 6.925 -5.120 1.00 0.00 H new ATOM 0 HA CYS A 38 4.553 5.971 -4.867 1.00 0.00 H new ATOM 0 HB2 CYS A 38 5.805 8.735 -5.083 1.00 0.00 H new ATOM 0 HB3 CYS A 38 4.092 8.466 -4.830 1.00 0.00 H new ATOM 0 HG CYS A 38 5.855 9.074 -2.444 1.00 0.00 H new ATOM 595 N MET A 39 5.626 7.138 -7.718 1.00 0.00 N ATOM 596 CA MET A 39 5.289 7.306 -9.127 1.00 0.00 C ATOM 597 C MET A 39 5.325 5.970 -9.863 1.00 0.00 C ATOM 598 O MET A 39 4.428 5.658 -10.645 1.00 0.00 O ATOM 599 CB MET A 39 6.252 8.292 -9.788 1.00 0.00 C ATOM 600 CG MET A 39 5.606 9.142 -10.871 1.00 0.00 C ATOM 601 SD MET A 39 6.770 10.275 -11.652 1.00 0.00 S ATOM 602 CE MET A 39 7.148 9.386 -13.160 1.00 0.00 C ATOM 0 H MET A 39 6.615 7.265 -7.502 1.00 0.00 H new ATOM 0 HA MET A 39 4.275 7.702 -9.186 1.00 0.00 H new ATOM 0 HB2 MET A 39 6.669 8.948 -9.023 1.00 0.00 H new ATOM 0 HB3 MET A 39 7.085 7.738 -10.221 1.00 0.00 H new ATOM 0 HG2 MET A 39 5.175 8.490 -11.630 1.00 0.00 H new ATOM 0 HG3 MET A 39 4.785 9.713 -10.438 1.00 0.00 H new ATOM 0 HE1 MET A 39 7.859 9.961 -13.753 1.00 0.00 H new ATOM 0 HE2 MET A 39 7.582 8.417 -12.912 1.00 0.00 H new ATOM 0 HE3 MET A 39 6.233 9.237 -13.734 1.00 0.00 H new ATOM 612 N LYS A 40 6.369 5.188 -9.612 1.00 0.00 N ATOM 613 CA LYS A 40 6.523 3.888 -10.254 1.00 0.00 C ATOM 614 C LYS A 40 5.393 2.945 -9.854 1.00 0.00 C ATOM 615 O LYS A 40 4.804 2.271 -10.699 1.00 0.00 O ATOM 616 CB LYS A 40 7.873 3.269 -9.887 1.00 0.00 C ATOM 617 CG LYS A 40 9.061 4.148 -10.245 1.00 0.00 C ATOM 618 CD LYS A 40 10.295 3.315 -10.552 1.00 0.00 C ATOM 619 CE LYS A 40 10.252 2.757 -11.966 1.00 0.00 C ATOM 620 NZ LYS A 40 10.873 3.687 -12.950 1.00 0.00 N ATOM 0 H LYS A 40 7.122 5.432 -8.968 1.00 0.00 H new ATOM 0 HA LYS A 40 6.482 4.038 -11.333 1.00 0.00 H new ATOM 0 HB2 LYS A 40 7.891 3.066 -8.816 1.00 0.00 H new ATOM 0 HB3 LYS A 40 7.974 2.310 -10.395 1.00 0.00 H new ATOM 0 HG2 LYS A 40 8.812 4.764 -11.109 1.00 0.00 H new ATOM 0 HG3 LYS A 40 9.275 4.827 -9.420 1.00 0.00 H new ATOM 0 HD2 LYS A 40 11.189 3.927 -10.428 1.00 0.00 H new ATOM 0 HD3 LYS A 40 10.369 2.495 -9.838 1.00 0.00 H new ATOM 0 HE2 LYS A 40 10.771 1.799 -11.994 1.00 0.00 H new ATOM 0 HE3 LYS A 40 9.217 2.567 -12.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 10.823 3.270 -13.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 10.362 4.593 -12.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 11.868 3.849 -12.695 1.00 0.00 H new ATOM 634 N MET A 41 5.099 2.898 -8.560 1.00 0.00 N ATOM 635 CA MET A 41 4.043 2.034 -8.046 1.00 0.00 C ATOM 636 C MET A 41 2.668 2.537 -8.472 1.00 0.00 C ATOM 637 O MET A 41 1.798 1.750 -8.849 1.00 0.00 O ATOM 638 CB MET A 41 4.120 1.956 -6.520 1.00 0.00 C ATOM 639 CG MET A 41 3.119 0.988 -5.911 1.00 0.00 C ATOM 640 SD MET A 41 2.870 1.266 -4.147 1.00 0.00 S ATOM 641 CE MET A 41 1.749 2.662 -4.180 1.00 0.00 C ATOM 0 H MET A 41 5.577 3.449 -7.847 1.00 0.00 H new ATOM 0 HA MET A 41 4.188 1.038 -8.464 1.00 0.00 H new ATOM 0 HB2 MET A 41 5.127 1.655 -6.230 1.00 0.00 H new ATOM 0 HB3 MET A 41 3.952 2.950 -6.104 1.00 0.00 H new ATOM 0 HG2 MET A 41 2.165 1.085 -6.429 1.00 0.00 H new ATOM 0 HG3 MET A 41 3.465 -0.034 -6.069 1.00 0.00 H new ATOM 0 HE1 MET A 41 2.267 3.553 -3.824 1.00 0.00 H new ATOM 0 HE2 MET A 41 1.403 2.826 -5.200 1.00 0.00 H new ATOM 0 HE3 MET A 41 0.894 2.458 -3.535 1.00 0.00 H new ATOM 651 N ASP A 42 2.474 3.849 -8.403 1.00 0.00 N ATOM 652 CA ASP A 42 1.201 4.456 -8.776 1.00 0.00 C ATOM 653 C ASP A 42 0.981 4.406 -10.286 1.00 0.00 C ATOM 654 O ASP A 42 -0.103 4.052 -10.753 1.00 0.00 O ATOM 655 CB ASP A 42 1.144 5.906 -8.291 1.00 0.00 C ATOM 656 CG ASP A 42 -0.200 6.555 -8.560 1.00 0.00 C ATOM 657 OD1 ASP A 42 -0.374 7.129 -9.655 1.00 0.00 O ATOM 658 OD2 ASP A 42 -1.079 6.486 -7.675 1.00 0.00 O ATOM 0 H ASP A 42 3.182 4.514 -8.092 1.00 0.00 H new ATOM 0 HA ASP A 42 0.407 3.883 -8.298 1.00 0.00 H new ATOM 0 HB2 ASP A 42 1.351 5.937 -7.221 1.00 0.00 H new ATOM 0 HB3 ASP A 42 1.927 6.482 -8.784 1.00 0.00 H new ATOM 663 N GLU A 43 2.014 4.764 -11.046 1.00 0.00 N ATOM 664 CA GLU A 43 1.929 4.760 -12.503 1.00 0.00 C ATOM 665 C GLU A 43 1.508 3.390 -13.018 1.00 0.00 C ATOM 666 O GLU A 43 0.826 3.279 -14.036 1.00 0.00 O ATOM 667 CB GLU A 43 3.273 5.158 -13.115 1.00 0.00 C ATOM 668 CG GLU A 43 3.557 6.649 -13.045 1.00 0.00 C ATOM 669 CD GLU A 43 3.141 7.383 -14.303 1.00 0.00 C ATOM 670 OE1 GLU A 43 1.922 7.515 -14.538 1.00 0.00 O ATOM 671 OE2 GLU A 43 4.035 7.826 -15.056 1.00 0.00 O ATOM 0 H GLU A 43 2.918 5.060 -10.677 1.00 0.00 H new ATOM 0 HA GLU A 43 1.174 5.488 -12.800 1.00 0.00 H new ATOM 0 HB2 GLU A 43 4.070 4.621 -12.601 1.00 0.00 H new ATOM 0 HB3 GLU A 43 3.296 4.841 -14.158 1.00 0.00 H new ATOM 0 HG2 GLU A 43 3.032 7.075 -12.190 1.00 0.00 H new ATOM 0 HG3 GLU A 43 4.622 6.804 -12.874 1.00 0.00 H new ATOM 678 N VAL A 44 1.918 2.351 -12.302 1.00 0.00 N ATOM 679 CA VAL A 44 1.582 0.984 -12.682 1.00 0.00 C ATOM 680 C VAL A 44 0.273 0.549 -12.035 1.00 0.00 C ATOM 681 O VAL A 44 -0.559 -0.098 -12.672 1.00 0.00 O ATOM 682 CB VAL A 44 2.696 -0.006 -12.286 1.00 0.00 C ATOM 683 CG1 VAL A 44 2.454 -1.361 -12.928 1.00 0.00 C ATOM 684 CG2 VAL A 44 4.064 0.534 -12.678 1.00 0.00 C ATOM 0 H VAL A 44 2.483 2.428 -11.456 1.00 0.00 H new ATOM 0 HA VAL A 44 1.474 0.972 -13.767 1.00 0.00 H new ATOM 0 HB VAL A 44 2.676 -0.127 -11.203 1.00 0.00 H new ATOM 0 HG11 VAL A 44 3.249 -2.048 -12.638 1.00 0.00 H new ATOM 0 HG12 VAL A 44 1.494 -1.755 -12.594 1.00 0.00 H new ATOM 0 HG13 VAL A 44 2.445 -1.253 -14.013 1.00 0.00 H new ATOM 0 HG21 VAL A 44 4.834 -0.181 -12.389 1.00 0.00 H new ATOM 0 HG22 VAL A 44 4.099 0.688 -13.756 1.00 0.00 H new ATOM 0 HG23 VAL A 44 4.240 1.482 -12.170 1.00 0.00 H new ATOM 694 N LEU A 45 0.094 0.917 -10.768 1.00 0.00 N ATOM 695 CA LEU A 45 -1.115 0.572 -10.023 1.00 0.00 C ATOM 696 C LEU A 45 -2.370 0.816 -10.857 1.00 0.00 C ATOM 697 O LEU A 45 -3.385 0.140 -10.683 1.00 0.00 O ATOM 698 CB LEU A 45 -1.186 1.388 -8.729 1.00 0.00 C ATOM 699 CG LEU A 45 -0.621 0.691 -7.491 1.00 0.00 C ATOM 700 CD1 LEU A 45 -0.696 1.607 -6.279 1.00 0.00 C ATOM 701 CD2 LEU A 45 -1.365 -0.609 -7.227 1.00 0.00 C ATOM 0 H LEU A 45 0.775 1.457 -10.234 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.068 -0.490 -9.782 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.647 2.324 -8.878 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.227 1.647 -8.538 1.00 0.00 H new ATOM 0 HG LEU A 45 0.427 0.456 -7.676 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.289 1.093 -5.408 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.117 2.511 -6.470 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.735 1.875 -6.089 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.950 -1.092 -6.342 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -2.421 -0.397 -7.063 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -1.257 -1.271 -8.086 1.00 0.00 H new ATOM 713 N TYR A 46 -2.296 1.787 -11.760 1.00 0.00 N ATOM 714 CA TYR A 46 -3.427 2.121 -12.616 1.00 0.00 C ATOM 715 C TYR A 46 -3.695 1.020 -13.636 1.00 0.00 C ATOM 716 O TYR A 46 -4.788 0.456 -13.686 1.00 0.00 O ATOM 717 CB TYR A 46 -3.173 3.446 -13.336 1.00 0.00 C ATOM 718 CG TYR A 46 -4.410 4.038 -13.973 1.00 0.00 C ATOM 719 CD1 TYR A 46 -5.027 3.413 -15.050 1.00 0.00 C ATOM 720 CD2 TYR A 46 -4.959 5.223 -13.499 1.00 0.00 C ATOM 721 CE1 TYR A 46 -6.157 3.952 -15.635 1.00 0.00 C ATOM 722 CE2 TYR A 46 -6.088 5.768 -14.079 1.00 0.00 C ATOM 723 CZ TYR A 46 -6.683 5.129 -15.146 1.00 0.00 C ATOM 724 OH TYR A 46 -7.809 5.668 -15.726 1.00 0.00 O ATOM 0 H TYR A 46 -1.465 2.356 -11.918 1.00 0.00 H new ATOM 0 HA TYR A 46 -4.308 2.219 -11.981 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -2.763 4.163 -12.625 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -2.417 3.292 -14.106 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -4.617 2.491 -15.436 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -4.495 5.726 -12.663 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -6.626 3.454 -16.471 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -6.502 6.690 -13.699 1.00 0.00 H new ATOM 0 HH TYR A 46 -8.364 4.949 -16.093 1.00 0.00 H new ATOM 734 N SER A 47 -2.694 0.735 -14.453 1.00 0.00 N ATOM 735 CA SER A 47 -2.812 -0.286 -15.491 1.00 0.00 C ATOM 736 C SER A 47 -2.385 -1.668 -14.993 1.00 0.00 C ATOM 737 O SER A 47 -1.994 -2.521 -15.789 1.00 0.00 O ATOM 738 CB SER A 47 -1.974 0.104 -16.709 1.00 0.00 C ATOM 739 OG SER A 47 -2.223 1.446 -17.092 1.00 0.00 O ATOM 0 H SER A 47 -1.785 1.197 -14.420 1.00 0.00 H new ATOM 0 HA SER A 47 -3.864 -0.345 -15.769 1.00 0.00 H new ATOM 0 HB2 SER A 47 -0.916 -0.022 -16.481 1.00 0.00 H new ATOM 0 HB3 SER A 47 -2.203 -0.563 -17.540 1.00 0.00 H new ATOM 0 HG SER A 47 -1.674 1.671 -17.872 1.00 0.00 H new ATOM 745 N ILE A 48 -2.461 -1.892 -13.684 1.00 0.00 N ATOM 746 CA ILE A 48 -2.077 -3.183 -13.119 1.00 0.00 C ATOM 747 C ILE A 48 -2.948 -3.561 -11.918 1.00 0.00 C ATOM 748 O ILE A 48 -3.274 -4.732 -11.726 1.00 0.00 O ATOM 749 CB ILE A 48 -0.583 -3.199 -12.716 1.00 0.00 C ATOM 750 CG1 ILE A 48 -0.067 -4.638 -12.616 1.00 0.00 C ATOM 751 CG2 ILE A 48 -0.357 -2.452 -11.406 1.00 0.00 C ATOM 752 CD1 ILE A 48 -0.667 -5.427 -11.472 1.00 0.00 C ATOM 0 H ILE A 48 -2.781 -1.205 -13.001 1.00 0.00 H new ATOM 0 HA ILE A 48 -2.236 -3.927 -13.900 1.00 0.00 H new ATOM 0 HB ILE A 48 -0.020 -2.684 -13.494 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -0.279 -5.155 -13.552 1.00 0.00 H new ATOM 0 HG13 ILE A 48 1.017 -4.618 -12.501 1.00 0.00 H new ATOM 0 HG21 ILE A 48 0.702 -2.480 -11.149 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -0.675 -1.416 -11.519 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -0.936 -2.925 -10.613 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.252 -6.435 -11.468 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -0.433 -4.935 -10.528 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -1.749 -5.481 -11.595 1.00 0.00 H new ATOM 764 N ALA A 49 -3.323 -2.570 -11.114 1.00 0.00 N ATOM 765 CA ALA A 49 -4.152 -2.816 -9.939 1.00 0.00 C ATOM 766 C ALA A 49 -5.636 -2.734 -10.283 1.00 0.00 C ATOM 767 O ALA A 49 -6.463 -3.418 -9.679 1.00 0.00 O ATOM 768 CB ALA A 49 -3.808 -1.828 -8.835 1.00 0.00 C ATOM 0 H ALA A 49 -3.067 -1.593 -11.254 1.00 0.00 H new ATOM 0 HA ALA A 49 -3.945 -3.826 -9.586 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -4.434 -2.023 -7.964 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -2.759 -1.940 -8.560 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -3.984 -0.812 -9.188 1.00 0.00 H new ATOM 774 N GLU A 50 -5.968 -1.889 -11.256 1.00 0.00 N ATOM 775 CA GLU A 50 -7.351 -1.710 -11.681 1.00 0.00 C ATOM 776 C GLU A 50 -8.044 -3.052 -11.910 1.00 0.00 C ATOM 777 O GLU A 50 -9.261 -3.165 -11.763 1.00 0.00 O ATOM 778 CB GLU A 50 -7.405 -0.873 -12.961 1.00 0.00 C ATOM 779 CG GLU A 50 -7.445 0.625 -12.707 1.00 0.00 C ATOM 780 CD GLU A 50 -8.623 1.039 -11.846 1.00 0.00 C ATOM 781 OE1 GLU A 50 -9.702 1.317 -12.410 1.00 0.00 O ATOM 782 OE2 GLU A 50 -8.465 1.087 -10.608 1.00 0.00 O ATOM 0 H GLU A 50 -5.295 -1.317 -11.765 1.00 0.00 H new ATOM 0 HA GLU A 50 -7.879 -1.188 -10.883 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -6.535 -1.106 -13.575 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -8.286 -1.159 -13.536 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -6.519 0.932 -12.221 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -7.494 1.150 -13.661 1.00 0.00 H new ATOM 789 N LYS A 51 -7.263 -4.065 -12.274 1.00 0.00 N ATOM 790 CA LYS A 51 -7.804 -5.395 -12.524 1.00 0.00 C ATOM 791 C LYS A 51 -8.465 -5.966 -11.273 1.00 0.00 C ATOM 792 O LYS A 51 -9.578 -6.489 -11.331 1.00 0.00 O ATOM 793 CB LYS A 51 -6.700 -6.337 -13.009 1.00 0.00 C ATOM 794 CG LYS A 51 -5.634 -6.616 -11.961 1.00 0.00 C ATOM 795 CD LYS A 51 -4.446 -7.353 -12.556 1.00 0.00 C ATOM 796 CE LYS A 51 -3.845 -8.337 -11.565 1.00 0.00 C ATOM 797 NZ LYS A 51 -2.833 -7.690 -10.686 1.00 0.00 N ATOM 0 H LYS A 51 -6.254 -3.989 -12.402 1.00 0.00 H new ATOM 0 HA LYS A 51 -8.563 -5.306 -13.301 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -7.149 -7.281 -13.319 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -6.227 -5.905 -13.891 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -5.298 -5.676 -11.523 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -6.063 -7.208 -11.153 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -4.760 -7.886 -13.454 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -3.686 -6.633 -12.861 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -4.638 -8.765 -10.952 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -3.381 -9.161 -12.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -2.830 -8.158 -9.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -1.891 -7.775 -11.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -3.069 -6.684 -10.567 1.00 0.00 H new ATOM 811 N VAL A 52 -7.773 -5.864 -10.142 1.00 0.00 N ATOM 812 CA VAL A 52 -8.296 -6.374 -8.880 1.00 0.00 C ATOM 813 C VAL A 52 -8.762 -5.240 -7.971 1.00 0.00 C ATOM 814 O VAL A 52 -8.860 -5.409 -6.755 1.00 0.00 O ATOM 815 CB VAL A 52 -7.240 -7.211 -8.133 1.00 0.00 C ATOM 816 CG1 VAL A 52 -6.947 -8.499 -8.888 1.00 0.00 C ATOM 817 CG2 VAL A 52 -5.968 -6.404 -7.925 1.00 0.00 C ATOM 0 H VAL A 52 -6.851 -5.434 -10.074 1.00 0.00 H new ATOM 0 HA VAL A 52 -9.148 -7.007 -9.128 1.00 0.00 H new ATOM 0 HB VAL A 52 -7.639 -7.475 -7.153 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -6.199 -9.077 -8.345 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -7.862 -9.084 -8.978 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -6.570 -8.260 -9.882 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -5.234 -7.012 -7.396 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.563 -6.107 -8.892 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -6.194 -5.514 -7.337 1.00 0.00 H new ATOM 827 N LYS A 53 -9.047 -4.084 -8.564 1.00 0.00 N ATOM 828 CA LYS A 53 -9.500 -2.925 -7.809 1.00 0.00 C ATOM 829 C LYS A 53 -10.675 -3.279 -6.901 1.00 0.00 C ATOM 830 O LYS A 53 -10.855 -2.681 -5.840 1.00 0.00 O ATOM 831 CB LYS A 53 -9.899 -1.796 -8.760 1.00 0.00 C ATOM 832 CG LYS A 53 -10.937 -2.208 -9.791 1.00 0.00 C ATOM 833 CD LYS A 53 -12.346 -1.863 -9.331 1.00 0.00 C ATOM 834 CE LYS A 53 -12.636 -0.381 -9.494 1.00 0.00 C ATOM 835 NZ LYS A 53 -13.788 0.054 -8.657 1.00 0.00 N ATOM 0 H LYS A 53 -8.971 -3.927 -9.569 1.00 0.00 H new ATOM 0 HA LYS A 53 -8.673 -2.592 -7.182 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -10.289 -0.962 -8.177 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -9.009 -1.435 -9.276 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -10.730 -1.709 -10.738 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -10.865 -3.280 -9.973 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -13.070 -2.442 -9.905 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -12.468 -2.146 -8.286 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -11.751 0.194 -9.221 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -12.846 -0.165 -10.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -13.954 1.071 -8.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -14.638 -0.477 -8.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -13.577 -0.128 -7.655 1.00 0.00 H new ATOM 849 N ASN A 54 -11.473 -4.254 -7.326 1.00 0.00 N ATOM 850 CA ASN A 54 -12.631 -4.686 -6.553 1.00 0.00 C ATOM 851 C ASN A 54 -12.207 -5.504 -5.337 1.00 0.00 C ATOM 852 O ASN A 54 -12.896 -5.518 -4.317 1.00 0.00 O ATOM 853 CB ASN A 54 -13.575 -5.510 -7.431 1.00 0.00 C ATOM 854 CG ASN A 54 -15.022 -5.397 -6.990 1.00 0.00 C ATOM 855 OD1 ASN A 54 -15.320 -4.825 -5.943 1.00 0.00 O ATOM 856 ND2 ASN A 54 -15.929 -5.943 -7.792 1.00 0.00 N ATOM 0 H ASN A 54 -11.338 -4.759 -8.202 1.00 0.00 H new ATOM 0 HA ASN A 54 -13.152 -3.795 -6.202 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -13.486 -5.178 -8.466 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -13.271 -6.556 -7.404 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -16.918 -5.897 -7.549 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -15.636 -6.408 -8.651 1.00 0.00 H new ATOM 863 N PHE A 55 -11.069 -6.182 -5.450 1.00 0.00 N ATOM 864 CA PHE A 55 -10.557 -7.001 -4.358 1.00 0.00 C ATOM 865 C PHE A 55 -9.551 -6.224 -3.523 1.00 0.00 C ATOM 866 O PHE A 55 -9.789 -5.924 -2.353 1.00 0.00 O ATOM 867 CB PHE A 55 -9.909 -8.274 -4.906 1.00 0.00 C ATOM 868 CG PHE A 55 -10.850 -9.129 -5.707 1.00 0.00 C ATOM 869 CD1 PHE A 55 -12.093 -9.474 -5.202 1.00 0.00 C ATOM 870 CD2 PHE A 55 -10.490 -9.588 -6.964 1.00 0.00 C ATOM 871 CE1 PHE A 55 -12.960 -10.261 -5.936 1.00 0.00 C ATOM 872 CE2 PHE A 55 -11.352 -10.375 -7.702 1.00 0.00 C ATOM 873 CZ PHE A 55 -12.589 -10.712 -7.187 1.00 0.00 C ATOM 0 H PHE A 55 -10.485 -6.180 -6.286 1.00 0.00 H new ATOM 0 HA PHE A 55 -11.396 -7.276 -3.719 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -9.059 -7.999 -5.531 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -9.517 -8.860 -4.074 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -12.388 -9.124 -4.224 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -9.524 -9.327 -7.371 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -13.927 -10.523 -5.532 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -11.060 -10.727 -8.680 1.00 0.00 H new ATOM 0 HZ PHE A 55 -13.265 -11.327 -7.762 1.00 0.00 H new ATOM 883 N ALA A 56 -8.425 -5.902 -4.137 1.00 0.00 N ATOM 884 CA ALA A 56 -7.369 -5.158 -3.463 1.00 0.00 C ATOM 885 C ALA A 56 -7.377 -3.694 -3.888 1.00 0.00 C ATOM 886 O ALA A 56 -7.487 -3.382 -5.074 1.00 0.00 O ATOM 887 CB ALA A 56 -6.014 -5.787 -3.750 1.00 0.00 C ATOM 0 H ALA A 56 -8.216 -6.144 -5.105 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.554 -5.200 -2.390 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -5.235 -5.221 -3.240 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -6.008 -6.817 -3.392 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.827 -5.775 -4.824 1.00 0.00 H new ATOM 893 N VAL A 57 -7.258 -2.799 -2.913 1.00 0.00 N ATOM 894 CA VAL A 57 -7.249 -1.368 -3.189 1.00 0.00 C ATOM 895 C VAL A 57 -5.913 -0.750 -2.797 1.00 0.00 C ATOM 896 O VAL A 57 -5.039 -1.431 -2.266 1.00 0.00 O ATOM 897 CB VAL A 57 -8.379 -0.641 -2.436 1.00 0.00 C ATOM 898 CG1 VAL A 57 -9.722 -0.910 -3.100 1.00 0.00 C ATOM 899 CG2 VAL A 57 -8.406 -1.062 -0.975 1.00 0.00 C ATOM 0 H VAL A 57 -7.167 -3.039 -1.926 1.00 0.00 H new ATOM 0 HA VAL A 57 -7.406 -1.249 -4.261 1.00 0.00 H new ATOM 0 HB VAL A 57 -8.186 0.431 -2.477 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -10.509 -0.389 -2.555 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -9.697 -0.553 -4.130 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -9.924 -1.981 -3.092 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -9.211 -0.538 -0.460 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -8.573 -2.137 -0.909 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -7.453 -0.813 -0.507 1.00 0.00 H new ATOM 909 N ILE A 58 -5.761 0.543 -3.061 1.00 0.00 N ATOM 910 CA ILE A 58 -4.528 1.250 -2.733 1.00 0.00 C ATOM 911 C ILE A 58 -4.811 2.710 -2.395 1.00 0.00 C ATOM 912 O ILE A 58 -5.866 3.243 -2.739 1.00 0.00 O ATOM 913 CB ILE A 58 -3.512 1.198 -3.893 1.00 0.00 C ATOM 914 CG1 ILE A 58 -3.473 -0.199 -4.518 1.00 0.00 C ATOM 915 CG2 ILE A 58 -2.129 1.600 -3.402 1.00 0.00 C ATOM 916 CD1 ILE A 58 -4.620 -0.469 -5.468 1.00 0.00 C ATOM 0 H ILE A 58 -6.476 1.123 -3.501 1.00 0.00 H new ATOM 0 HA ILE A 58 -4.101 0.746 -1.866 1.00 0.00 H new ATOM 0 HB ILE A 58 -3.829 1.905 -4.659 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -2.532 -0.322 -5.054 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -3.487 -0.944 -3.723 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.422 1.559 -4.231 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -2.164 2.615 -3.006 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.808 0.915 -2.617 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -4.528 -1.477 -5.873 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -5.565 -0.378 -4.932 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -4.594 0.253 -6.284 1.00 0.00 H new ATOM 928 N TYR A 59 -3.857 3.356 -1.733 1.00 0.00 N ATOM 929 CA TYR A 59 -3.992 4.746 -1.363 1.00 0.00 C ATOM 930 C TYR A 59 -2.628 5.381 -1.118 1.00 0.00 C ATOM 931 O TYR A 59 -1.693 4.715 -0.673 1.00 0.00 O ATOM 932 CB TYR A 59 -4.873 4.907 -0.122 1.00 0.00 C ATOM 933 CG TYR A 59 -6.239 4.271 -0.251 1.00 0.00 C ATOM 934 CD1 TYR A 59 -6.441 2.936 0.083 1.00 0.00 C ATOM 935 CD2 TYR A 59 -7.329 5.004 -0.703 1.00 0.00 C ATOM 936 CE1 TYR A 59 -7.687 2.352 -0.032 1.00 0.00 C ATOM 937 CE2 TYR A 59 -8.579 4.427 -0.820 1.00 0.00 C ATOM 938 CZ TYR A 59 -8.753 3.101 -0.483 1.00 0.00 C ATOM 939 OH TYR A 59 -9.997 2.523 -0.599 1.00 0.00 O ATOM 0 H TYR A 59 -2.978 2.928 -1.443 1.00 0.00 H new ATOM 0 HA TYR A 59 -4.472 5.259 -2.196 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.360 4.470 0.735 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -4.996 5.969 0.088 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -5.609 2.346 0.438 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -7.197 6.043 -0.968 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -7.826 1.314 0.230 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -9.416 5.011 -1.174 1.00 0.00 H new ATOM 0 HH TYR A 59 -10.637 3.188 -0.929 1.00 0.00 H new ATOM 949 N LEU A 60 -2.524 6.673 -1.408 1.00 0.00 N ATOM 950 CA LEU A 60 -1.275 7.400 -1.218 1.00 0.00 C ATOM 951 C LEU A 60 -1.355 8.307 0.006 1.00 0.00 C ATOM 952 O LEU A 60 -2.161 9.236 0.050 1.00 0.00 O ATOM 953 CB LEU A 60 -0.946 8.229 -2.462 1.00 0.00 C ATOM 954 CG LEU A 60 -1.169 7.519 -3.801 1.00 0.00 C ATOM 955 CD1 LEU A 60 -0.585 6.113 -3.772 1.00 0.00 C ATOM 956 CD2 LEU A 60 -2.652 7.475 -4.140 1.00 0.00 C ATOM 0 H LEU A 60 -3.289 7.238 -1.775 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.481 6.671 -1.057 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -1.552 9.135 -2.445 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.097 8.541 -2.405 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.653 8.085 -4.577 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -0.755 5.628 -4.733 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.486 6.168 -3.578 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.067 5.535 -2.984 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.792 6.967 -5.094 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -3.188 6.935 -3.359 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -3.040 8.491 -4.209 1.00 0.00 H new ATOM 968 N VAL A 61 -0.515 8.029 0.996 1.00 0.00 N ATOM 969 CA VAL A 61 -0.490 8.819 2.221 1.00 0.00 C ATOM 970 C VAL A 61 0.497 9.976 2.108 1.00 0.00 C ATOM 971 O VAL A 61 1.533 9.861 1.453 1.00 0.00 O ATOM 972 CB VAL A 61 -0.113 7.957 3.440 1.00 0.00 C ATOM 973 CG1 VAL A 61 -0.331 8.731 4.730 1.00 0.00 C ATOM 974 CG2 VAL A 61 -0.912 6.662 3.446 1.00 0.00 C ATOM 0 H VAL A 61 0.158 7.263 0.974 1.00 0.00 H new ATOM 0 HA VAL A 61 -1.496 9.213 2.362 1.00 0.00 H new ATOM 0 HB VAL A 61 0.945 7.705 3.369 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.059 8.105 5.580 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.289 9.627 4.726 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -1.380 9.016 4.810 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.632 6.066 4.315 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.977 6.892 3.491 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.700 6.100 2.537 1.00 0.00 H new ATOM 984 N ASP A 62 0.169 11.091 2.753 1.00 0.00 N ATOM 985 CA ASP A 62 1.027 12.270 2.725 1.00 0.00 C ATOM 986 C ASP A 62 1.645 12.525 4.096 1.00 0.00 C ATOM 987 O ASP A 62 0.996 13.072 4.988 1.00 0.00 O ATOM 988 CB ASP A 62 0.231 13.497 2.274 1.00 0.00 C ATOM 989 CG ASP A 62 1.036 14.406 1.368 1.00 0.00 C ATOM 990 OD1 ASP A 62 2.282 14.342 1.415 1.00 0.00 O ATOM 991 OD2 ASP A 62 0.420 15.185 0.610 1.00 0.00 O ATOM 0 H ASP A 62 -0.684 11.203 3.301 1.00 0.00 H new ATOM 0 HA ASP A 62 1.831 12.087 2.012 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -0.668 13.171 1.751 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -0.095 14.058 3.150 1.00 0.00 H new ATOM 996 N ILE A 63 2.902 12.124 4.257 1.00 0.00 N ATOM 997 CA ILE A 63 3.607 12.309 5.520 1.00 0.00 C ATOM 998 C ILE A 63 3.835 13.789 5.815 1.00 0.00 C ATOM 999 O ILE A 63 4.003 14.181 6.970 1.00 0.00 O ATOM 1000 CB ILE A 63 4.966 11.583 5.515 1.00 0.00 C ATOM 1001 CG1 ILE A 63 4.792 10.126 5.083 1.00 0.00 C ATOM 1002 CG2 ILE A 63 5.614 11.659 6.891 1.00 0.00 C ATOM 1003 CD1 ILE A 63 6.085 9.342 5.058 1.00 0.00 C ATOM 0 H ILE A 63 3.453 11.669 3.529 1.00 0.00 H new ATOM 0 HA ILE A 63 2.976 11.881 6.299 1.00 0.00 H new ATOM 0 HB ILE A 63 5.621 12.078 4.798 1.00 0.00 H new ATOM 0 HG12 ILE A 63 4.093 9.636 5.761 1.00 0.00 H new ATOM 0 HG13 ILE A 63 4.343 10.102 4.090 1.00 0.00 H new ATOM 0 HG21 ILE A 63 6.573 11.141 6.871 1.00 0.00 H new ATOM 0 HG22 ILE A 63 5.771 12.703 7.162 1.00 0.00 H new ATOM 0 HG23 ILE A 63 4.963 11.187 7.627 1.00 0.00 H new ATOM 0 HD11 ILE A 63 5.884 8.318 4.743 1.00 0.00 H new ATOM 0 HD12 ILE A 63 6.779 9.807 4.358 1.00 0.00 H new ATOM 0 HD13 ILE A 63 6.525 9.335 6.055 1.00 0.00 H new ATOM 1015 N THR A 64 3.840 14.607 4.767 1.00 0.00 N ATOM 1016 CA THR A 64 4.047 16.042 4.920 1.00 0.00 C ATOM 1017 C THR A 64 2.729 16.757 5.197 1.00 0.00 C ATOM 1018 O THR A 64 2.681 17.714 5.969 1.00 0.00 O ATOM 1019 CB THR A 64 4.700 16.621 3.664 1.00 0.00 C ATOM 1020 OG1 THR A 64 5.768 15.798 3.230 1.00 0.00 O ATOM 1021 CG2 THR A 64 5.247 18.017 3.863 1.00 0.00 C ATOM 0 H THR A 64 3.703 14.301 3.804 1.00 0.00 H new ATOM 0 HA THR A 64 4.710 16.198 5.771 1.00 0.00 H new ATOM 0 HB THR A 64 3.906 16.663 2.919 1.00 0.00 H new ATOM 0 HG1 THR A 64 6.172 16.184 2.425 1.00 0.00 H new ATOM 0 HG21 THR A 64 5.696 18.368 2.934 1.00 0.00 H new ATOM 0 HG22 THR A 64 4.437 18.688 4.150 1.00 0.00 H new ATOM 0 HG23 THR A 64 6.003 18.003 4.649 1.00 0.00 H new ATOM 1029 N GLU A 65 1.662 16.287 4.560 1.00 0.00 N ATOM 1030 CA GLU A 65 0.343 16.883 4.739 1.00 0.00 C ATOM 1031 C GLU A 65 -0.259 16.483 6.082 1.00 0.00 C ATOM 1032 O GLU A 65 -0.945 17.276 6.727 1.00 0.00 O ATOM 1033 CB GLU A 65 -0.590 16.459 3.602 1.00 0.00 C ATOM 1034 CG GLU A 65 -1.603 17.525 3.217 1.00 0.00 C ATOM 1035 CD GLU A 65 -0.967 18.705 2.509 1.00 0.00 C ATOM 1036 OE1 GLU A 65 -0.526 19.647 3.201 1.00 0.00 O ATOM 1037 OE2 GLU A 65 -0.910 18.687 1.261 1.00 0.00 O ATOM 0 H GLU A 65 1.684 15.496 3.916 1.00 0.00 H new ATOM 0 HA GLU A 65 0.457 17.967 4.722 1.00 0.00 H new ATOM 0 HB2 GLU A 65 0.009 16.206 2.727 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -1.121 15.554 3.897 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -2.361 17.084 2.570 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -2.114 17.876 4.114 1.00 0.00 H new ATOM 1044 N VAL A 66 0.002 15.248 6.498 1.00 0.00 N ATOM 1045 CA VAL A 66 -0.515 14.744 7.764 1.00 0.00 C ATOM 1046 C VAL A 66 0.309 15.271 8.939 1.00 0.00 C ATOM 1047 O VAL A 66 1.533 15.353 8.858 1.00 0.00 O ATOM 1048 CB VAL A 66 -0.512 13.203 7.799 1.00 0.00 C ATOM 1049 CG1 VAL A 66 -1.174 12.693 9.070 1.00 0.00 C ATOM 1050 CG2 VAL A 66 -1.204 12.640 6.567 1.00 0.00 C ATOM 0 H VAL A 66 0.568 14.579 5.977 1.00 0.00 H new ATOM 0 HA VAL A 66 -1.542 15.099 7.853 1.00 0.00 H new ATOM 0 HB VAL A 66 0.523 12.861 7.796 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -1.161 11.603 9.075 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -0.631 13.066 9.938 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -2.205 13.044 9.109 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -1.192 11.551 6.609 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -2.236 12.991 6.537 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -0.681 12.974 5.671 1.00 0.00 H new ATOM 1060 N PRO A 67 -0.355 15.638 10.052 1.00 0.00 N ATOM 1061 CA PRO A 67 0.329 16.160 11.242 1.00 0.00 C ATOM 1062 C PRO A 67 1.406 15.210 11.755 1.00 0.00 C ATOM 1063 O PRO A 67 1.154 14.389 12.638 1.00 0.00 O ATOM 1064 CB PRO A 67 -0.796 16.297 12.274 1.00 0.00 C ATOM 1065 CG PRO A 67 -2.042 16.411 11.467 1.00 0.00 C ATOM 1066 CD PRO A 67 -1.817 15.577 10.238 1.00 0.00 C ATOM 0 HA PRO A 67 0.848 17.095 11.032 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -0.832 15.432 12.937 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -0.651 17.175 12.903 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -2.905 16.053 12.029 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -2.242 17.449 11.203 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -2.163 14.553 10.378 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -2.350 15.978 9.376 1.00 0.00 H new ATOM 1235 N ASP A 77 11.745 9.884 5.835 1.00 0.00 N ATOM 1236 CA ASP A 77 11.708 8.660 5.043 1.00 0.00 C ATOM 1237 C ASP A 77 11.473 8.975 3.565 1.00 0.00 C ATOM 1238 O ASP A 77 10.637 9.814 3.230 1.00 0.00 O ATOM 1239 CB ASP A 77 10.612 7.727 5.558 1.00 0.00 C ATOM 1240 CG ASP A 77 10.591 6.399 4.825 1.00 0.00 C ATOM 1241 OD1 ASP A 77 10.108 6.365 3.674 1.00 0.00 O ATOM 1242 OD2 ASP A 77 11.056 5.395 5.402 1.00 0.00 O ATOM 0 HA ASP A 77 12.673 8.163 5.142 1.00 0.00 H new ATOM 0 HB2 ASP A 77 10.761 7.549 6.623 1.00 0.00 H new ATOM 0 HB3 ASP A 77 9.643 8.214 5.449 1.00 0.00 H new ATOM 1247 N PRO A 78 12.207 8.306 2.659 1.00 0.00 N ATOM 1248 CA PRO A 78 12.065 8.526 1.217 1.00 0.00 C ATOM 1249 C PRO A 78 10.748 7.978 0.675 1.00 0.00 C ATOM 1250 O PRO A 78 10.020 8.675 -0.033 1.00 0.00 O ATOM 1251 CB PRO A 78 13.249 7.762 0.619 1.00 0.00 C ATOM 1252 CG PRO A 78 13.570 6.707 1.620 1.00 0.00 C ATOM 1253 CD PRO A 78 13.229 7.287 2.966 1.00 0.00 C ATOM 0 HA PRO A 78 12.057 9.587 0.967 1.00 0.00 H new ATOM 0 HB2 PRO A 78 12.991 7.326 -0.346 1.00 0.00 H new ATOM 0 HB3 PRO A 78 14.101 8.421 0.453 1.00 0.00 H new ATOM 0 HG2 PRO A 78 12.994 5.801 1.429 1.00 0.00 H new ATOM 0 HG3 PRO A 78 14.623 6.431 1.571 1.00 0.00 H new ATOM 0 HD2 PRO A 78 12.844 6.525 3.644 1.00 0.00 H new ATOM 0 HD3 PRO A 78 14.103 7.728 3.445 1.00 0.00 H new ATOM 1261 N CYS A 79 10.449 6.728 1.012 1.00 0.00 N ATOM 1262 CA CYS A 79 9.220 6.083 0.559 1.00 0.00 C ATOM 1263 C CYS A 79 9.158 4.636 1.035 1.00 0.00 C ATOM 1264 O CYS A 79 10.186 4.023 1.322 1.00 0.00 O ATOM 1265 CB CYS A 79 9.109 6.128 -0.970 1.00 0.00 C ATOM 1266 SG CYS A 79 10.694 6.064 -1.842 1.00 0.00 S ATOM 0 H CYS A 79 11.041 6.140 1.598 1.00 0.00 H new ATOM 0 HA CYS A 79 8.383 6.632 0.989 1.00 0.00 H new ATOM 0 HB2 CYS A 79 8.493 5.292 -1.301 1.00 0.00 H new ATOM 0 HB3 CYS A 79 8.588 7.041 -1.257 1.00 0.00 H new ATOM 0 HG CYS A 79 11.513 5.286 -1.198 1.00 0.00 H new ATOM 1272 N THR A 80 7.948 4.094 1.112 1.00 0.00 N ATOM 1273 CA THR A 80 7.749 2.715 1.548 1.00 0.00 C ATOM 1274 C THR A 80 6.422 2.172 1.028 1.00 0.00 C ATOM 1275 O THR A 80 5.574 2.929 0.553 1.00 0.00 O ATOM 1276 CB THR A 80 7.777 2.618 3.076 1.00 0.00 C ATOM 1277 OG1 THR A 80 6.531 3.013 3.626 1.00 0.00 O ATOM 1278 CG2 THR A 80 8.853 3.466 3.720 1.00 0.00 C ATOM 0 H THR A 80 7.088 4.589 0.878 1.00 0.00 H new ATOM 0 HA THR A 80 8.564 2.117 1.140 1.00 0.00 H new ATOM 0 HB THR A 80 7.993 1.571 3.290 1.00 0.00 H new ATOM 0 HG1 THR A 80 6.650 3.251 4.569 1.00 0.00 H new ATOM 0 HG21 THR A 80 8.811 3.346 4.803 1.00 0.00 H new ATOM 0 HG22 THR A 80 9.831 3.150 3.357 1.00 0.00 H new ATOM 0 HG23 THR A 80 8.692 4.513 3.465 1.00 0.00 H new ATOM 1286 N VAL A 81 6.246 0.859 1.123 1.00 0.00 N ATOM 1287 CA VAL A 81 5.021 0.220 0.667 1.00 0.00 C ATOM 1288 C VAL A 81 4.503 -0.776 1.702 1.00 0.00 C ATOM 1289 O VAL A 81 5.255 -1.610 2.206 1.00 0.00 O ATOM 1290 CB VAL A 81 5.248 -0.508 -0.670 1.00 0.00 C ATOM 1291 CG1 VAL A 81 3.978 -1.210 -1.132 1.00 0.00 C ATOM 1292 CG2 VAL A 81 5.742 0.465 -1.730 1.00 0.00 C ATOM 0 H VAL A 81 6.937 0.218 1.512 1.00 0.00 H new ATOM 0 HA VAL A 81 4.277 1.005 0.527 1.00 0.00 H new ATOM 0 HB VAL A 81 6.014 -1.268 -0.517 1.00 0.00 H new ATOM 0 HG11 VAL A 81 4.166 -1.716 -2.079 1.00 0.00 H new ATOM 0 HG12 VAL A 81 3.674 -1.942 -0.383 1.00 0.00 H new ATOM 0 HG13 VAL A 81 3.184 -0.475 -1.265 1.00 0.00 H new ATOM 0 HG21 VAL A 81 5.897 -0.067 -2.668 1.00 0.00 H new ATOM 0 HG22 VAL A 81 5.001 1.251 -1.877 1.00 0.00 H new ATOM 0 HG23 VAL A 81 6.683 0.910 -1.405 1.00 0.00 H new ATOM 1302 N MET A 82 3.215 -0.680 2.012 1.00 0.00 N ATOM 1303 CA MET A 82 2.592 -1.570 2.984 1.00 0.00 C ATOM 1304 C MET A 82 1.114 -1.765 2.669 1.00 0.00 C ATOM 1305 O MET A 82 0.598 -1.205 1.703 1.00 0.00 O ATOM 1306 CB MET A 82 2.755 -1.011 4.399 1.00 0.00 C ATOM 1307 CG MET A 82 4.201 -0.938 4.862 1.00 0.00 C ATOM 1308 SD MET A 82 4.370 -0.189 6.494 1.00 0.00 S ATOM 1309 CE MET A 82 5.731 0.940 6.209 1.00 0.00 C ATOM 0 H MET A 82 2.581 0.007 1.603 1.00 0.00 H new ATOM 0 HA MET A 82 3.090 -2.538 2.925 1.00 0.00 H new ATOM 0 HB2 MET A 82 2.319 -0.013 4.439 1.00 0.00 H new ATOM 0 HB3 MET A 82 2.191 -1.633 5.094 1.00 0.00 H new ATOM 0 HG2 MET A 82 4.623 -1.943 4.882 1.00 0.00 H new ATOM 0 HG3 MET A 82 4.781 -0.363 4.140 1.00 0.00 H new ATOM 0 HE1 MET A 82 5.548 1.873 6.742 1.00 0.00 H new ATOM 0 HE2 MET A 82 6.657 0.492 6.569 1.00 0.00 H new ATOM 0 HE3 MET A 82 5.818 1.143 5.142 1.00 0.00 H new ATOM 1319 N PHE A 83 0.435 -2.563 3.487 1.00 0.00 N ATOM 1320 CA PHE A 83 -0.985 -2.826 3.290 1.00 0.00 C ATOM 1321 C PHE A 83 -1.667 -3.171 4.611 1.00 0.00 C ATOM 1322 O PHE A 83 -1.022 -3.226 5.658 1.00 0.00 O ATOM 1323 CB PHE A 83 -1.183 -3.961 2.279 1.00 0.00 C ATOM 1324 CG PHE A 83 -0.822 -5.321 2.812 1.00 0.00 C ATOM 1325 CD1 PHE A 83 0.446 -5.569 3.314 1.00 0.00 C ATOM 1326 CD2 PHE A 83 -1.751 -6.348 2.809 1.00 0.00 C ATOM 1327 CE1 PHE A 83 0.779 -6.819 3.802 1.00 0.00 C ATOM 1328 CE2 PHE A 83 -1.424 -7.599 3.296 1.00 0.00 C ATOM 1329 CZ PHE A 83 -0.157 -7.835 3.794 1.00 0.00 C ATOM 0 H PHE A 83 0.845 -3.038 4.291 1.00 0.00 H new ATOM 0 HA PHE A 83 -1.444 -1.919 2.896 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -2.225 -3.972 1.959 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -0.580 -3.756 1.395 1.00 0.00 H new ATOM 0 HD1 PHE A 83 1.181 -4.778 3.324 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -2.743 -6.169 2.421 1.00 0.00 H new ATOM 0 HE1 PHE A 83 1.771 -7.001 4.189 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -2.158 -8.391 3.287 1.00 0.00 H new ATOM 0 HZ PHE A 83 0.101 -8.812 4.176 1.00 0.00 H new ATOM 1339 N PHE A 84 -2.973 -3.402 4.553 1.00 0.00 N ATOM 1340 CA PHE A 84 -3.742 -3.742 5.742 1.00 0.00 C ATOM 1341 C PHE A 84 -4.847 -4.738 5.409 1.00 0.00 C ATOM 1342 O PHE A 84 -5.437 -4.688 4.330 1.00 0.00 O ATOM 1343 CB PHE A 84 -4.348 -2.480 6.361 1.00 0.00 C ATOM 1344 CG PHE A 84 -3.337 -1.594 7.031 1.00 0.00 C ATOM 1345 CD1 PHE A 84 -2.367 -2.131 7.862 1.00 0.00 C ATOM 1346 CD2 PHE A 84 -3.357 -0.223 6.830 1.00 0.00 C ATOM 1347 CE1 PHE A 84 -1.436 -1.318 8.480 1.00 0.00 C ATOM 1348 CE2 PHE A 84 -2.428 0.595 7.445 1.00 0.00 C ATOM 1349 CZ PHE A 84 -1.467 0.046 8.271 1.00 0.00 C ATOM 0 H PHE A 84 -3.521 -3.360 3.694 1.00 0.00 H new ATOM 0 HA PHE A 84 -3.066 -4.204 6.461 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -4.857 -1.912 5.582 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -5.104 -2.770 7.090 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -2.338 -3.198 8.029 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -4.107 0.211 6.186 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -0.685 -1.749 9.126 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -2.454 1.662 7.280 1.00 0.00 H new ATOM 0 HZ PHE A 84 -0.740 0.683 8.753 1.00 0.00 H new ATOM 1359 N PHE A 85 -5.120 -5.645 6.342 1.00 0.00 N ATOM 1360 CA PHE A 85 -6.152 -6.654 6.148 1.00 0.00 C ATOM 1361 C PHE A 85 -6.806 -7.026 7.474 1.00 0.00 C ATOM 1362 O PHE A 85 -6.158 -7.026 8.521 1.00 0.00 O ATOM 1363 CB PHE A 85 -5.555 -7.900 5.498 1.00 0.00 C ATOM 1364 CG PHE A 85 -6.572 -8.959 5.182 1.00 0.00 C ATOM 1365 CD1 PHE A 85 -7.768 -8.629 4.566 1.00 0.00 C ATOM 1366 CD2 PHE A 85 -6.332 -10.286 5.503 1.00 0.00 C ATOM 1367 CE1 PHE A 85 -8.706 -9.600 4.275 1.00 0.00 C ATOM 1368 CE2 PHE A 85 -7.266 -11.263 5.215 1.00 0.00 C ATOM 1369 CZ PHE A 85 -8.455 -10.920 4.599 1.00 0.00 C ATOM 0 H PHE A 85 -4.640 -5.701 7.240 1.00 0.00 H new ATOM 0 HA PHE A 85 -6.915 -6.236 5.491 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -5.046 -7.611 4.579 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -4.800 -8.320 6.162 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -7.970 -7.599 4.310 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -5.404 -10.560 5.984 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -9.634 -9.328 3.795 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -7.067 -12.293 5.471 1.00 0.00 H new ATOM 0 HZ PHE A 85 -9.186 -11.682 4.371 1.00 0.00 H new ATOM 1379 N ARG A 86 -8.094 -7.347 7.420 1.00 0.00 N ATOM 1380 CA ARG A 86 -8.845 -7.728 8.613 1.00 0.00 C ATOM 1381 C ARG A 86 -8.655 -6.710 9.734 1.00 0.00 C ATOM 1382 O ARG A 86 -8.669 -7.061 10.914 1.00 0.00 O ATOM 1383 CB ARG A 86 -8.409 -9.114 9.092 1.00 0.00 C ATOM 1384 CG ARG A 86 -9.506 -9.882 9.810 1.00 0.00 C ATOM 1385 CD ARG A 86 -9.434 -9.681 11.315 1.00 0.00 C ATOM 1386 NE ARG A 86 -9.771 -10.899 12.048 1.00 0.00 N ATOM 1387 CZ ARG A 86 -8.931 -11.918 12.216 1.00 0.00 C ATOM 1388 NH1 ARG A 86 -7.706 -11.869 11.707 1.00 0.00 N ATOM 1389 NH2 ARG A 86 -9.318 -12.989 12.896 1.00 0.00 N ATOM 0 H ARG A 86 -8.642 -7.351 6.560 1.00 0.00 H new ATOM 0 HA ARG A 86 -9.902 -7.753 8.349 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -8.071 -9.696 8.235 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -7.555 -9.006 9.761 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -10.479 -9.555 9.444 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -9.419 -10.944 9.579 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -8.430 -9.359 11.590 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -10.116 -8.882 11.607 1.00 0.00 H new ATOM 0 HE ARG A 86 -10.704 -10.973 12.454 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -7.404 -11.047 11.184 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -7.067 -12.653 11.839 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -10.258 -13.031 13.289 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -8.675 -13.771 13.026 1.00 0.00 H new ATOM 1403 N ASN A 87 -8.480 -5.446 9.359 1.00 0.00 N ATOM 1404 CA ASN A 87 -8.288 -4.379 10.335 1.00 0.00 C ATOM 1405 C ASN A 87 -7.025 -4.612 11.158 1.00 0.00 C ATOM 1406 O ASN A 87 -6.956 -4.232 12.326 1.00 0.00 O ATOM 1407 CB ASN A 87 -9.502 -4.282 11.261 1.00 0.00 C ATOM 1408 CG ASN A 87 -10.547 -3.311 10.747 1.00 0.00 C ATOM 1409 OD1 ASN A 87 -10.583 -2.991 9.559 1.00 0.00 O ATOM 1410 ND2 ASN A 87 -11.405 -2.837 11.643 1.00 0.00 N ATOM 0 H ASN A 87 -8.467 -5.136 8.387 1.00 0.00 H new ATOM 0 HA ASN A 87 -8.177 -3.441 9.791 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -9.951 -5.269 11.371 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -9.175 -3.968 12.252 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -12.131 -2.180 11.356 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -11.338 -3.130 12.618 1.00 0.00 H new ATOM 1417 N LYS A 88 -6.030 -5.241 10.540 1.00 0.00 N ATOM 1418 CA LYS A 88 -4.769 -5.525 11.217 1.00 0.00 C ATOM 1419 C LYS A 88 -3.604 -4.849 10.504 1.00 0.00 C ATOM 1420 O LYS A 88 -3.714 -4.461 9.341 1.00 0.00 O ATOM 1421 CB LYS A 88 -4.534 -7.036 11.287 1.00 0.00 C ATOM 1422 CG LYS A 88 -5.121 -7.686 12.527 1.00 0.00 C ATOM 1423 CD LYS A 88 -4.336 -7.317 13.776 1.00 0.00 C ATOM 1424 CE LYS A 88 -2.985 -8.015 13.810 1.00 0.00 C ATOM 1425 NZ LYS A 88 -1.925 -7.143 14.385 1.00 0.00 N ATOM 0 H LYS A 88 -6.072 -5.563 9.573 1.00 0.00 H new ATOM 0 HA LYS A 88 -4.830 -5.126 12.230 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -4.966 -7.504 10.403 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -3.462 -7.230 11.258 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -6.159 -7.376 12.644 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -5.123 -8.769 12.405 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -4.190 -6.237 13.810 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -4.910 -7.589 14.662 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -3.063 -8.929 14.399 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -2.703 -8.311 12.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -1.020 -7.655 14.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -1.833 -6.283 13.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -2.181 -6.881 15.358 1.00 0.00 H new ATOM 1439 N HIS A 89 -2.486 -4.711 11.210 1.00 0.00 N ATOM 1440 CA HIS A 89 -1.298 -4.082 10.644 1.00 0.00 C ATOM 1441 C HIS A 89 -0.398 -5.118 9.977 1.00 0.00 C ATOM 1442 O HIS A 89 -0.179 -6.202 10.517 1.00 0.00 O ATOM 1443 CB HIS A 89 -0.521 -3.340 11.732 1.00 0.00 C ATOM 1444 CG HIS A 89 0.574 -2.468 11.198 1.00 0.00 C ATOM 1445 ND1 HIS A 89 1.627 -2.759 10.399 1.00 0.00 N flip ATOM 1446 CD2 HIS A 89 0.666 -1.121 11.476 1.00 0.00 C flip ATOM 1447 CE1 HIS A 89 2.329 -1.593 10.211 1.00 0.00 C flip ATOM 1448 NE2 HIS A 89 1.728 -0.620 10.870 1.00 0.00 N flip ATOM 0 H HIS A 89 -2.378 -5.026 12.174 1.00 0.00 H new ATOM 0 HA HIS A 89 -1.622 -3.368 9.887 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -1.214 -2.727 12.308 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -0.091 -4.068 12.421 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -0.022 -0.562 12.093 1.00 0.00 H new ATOM 0 HE1 HIS A 89 3.227 -1.489 9.620 1.00 0.00 H new ATOM 0 HE2 HIS A 89 2.032 0.353 10.905 1.00 0.00 H new ATOM 1457 N ILE A 90 0.120 -4.777 8.802 1.00 0.00 N ATOM 1458 CA ILE A 90 0.995 -5.678 8.063 1.00 0.00 C ATOM 1459 C ILE A 90 1.760 -4.929 6.975 1.00 0.00 C ATOM 1460 O ILE A 90 1.228 -4.015 6.345 1.00 0.00 O ATOM 1461 CB ILE A 90 0.198 -6.834 7.424 1.00 0.00 C ATOM 1462 CG1 ILE A 90 1.144 -7.828 6.747 1.00 0.00 C ATOM 1463 CG2 ILE A 90 -0.817 -6.294 6.426 1.00 0.00 C ATOM 1464 CD1 ILE A 90 1.899 -8.704 7.723 1.00 0.00 C ATOM 0 H ILE A 90 -0.051 -3.883 8.341 1.00 0.00 H new ATOM 0 HA ILE A 90 1.705 -6.093 8.778 1.00 0.00 H new ATOM 0 HB ILE A 90 -0.342 -7.358 8.213 1.00 0.00 H new ATOM 0 HG12 ILE A 90 0.569 -8.462 6.072 1.00 0.00 H new ATOM 0 HG13 ILE A 90 1.860 -7.278 6.136 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -1.370 -7.123 5.985 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -1.510 -5.626 6.937 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -0.298 -5.745 5.640 1.00 0.00 H new ATOM 0 HD11 ILE A 90 2.550 -9.384 7.173 1.00 0.00 H new ATOM 0 HD12 ILE A 90 2.501 -8.079 8.383 1.00 0.00 H new ATOM 0 HD13 ILE A 90 1.191 -9.281 8.317 1.00 0.00 H new ATOM 1476 N MET A 91 3.010 -5.324 6.759 1.00 0.00 N ATOM 1477 CA MET A 91 3.848 -4.689 5.748 1.00 0.00 C ATOM 1478 C MET A 91 4.030 -5.602 4.539 1.00 0.00 C ATOM 1479 O MET A 91 3.953 -6.825 4.654 1.00 0.00 O ATOM 1480 CB MET A 91 5.212 -4.328 6.339 1.00 0.00 C ATOM 1481 CG MET A 91 5.959 -5.519 6.915 1.00 0.00 C ATOM 1482 SD MET A 91 5.655 -5.745 8.677 1.00 0.00 S ATOM 1483 CE MET A 91 6.010 -7.490 8.861 1.00 0.00 C ATOM 0 H MET A 91 3.465 -6.080 7.270 1.00 0.00 H new ATOM 0 HA MET A 91 3.349 -3.777 5.420 1.00 0.00 H new ATOM 0 HB2 MET A 91 5.824 -3.866 5.564 1.00 0.00 H new ATOM 0 HB3 MET A 91 5.074 -3.583 7.122 1.00 0.00 H new ATOM 0 HG2 MET A 91 5.663 -6.422 6.381 1.00 0.00 H new ATOM 0 HG3 MET A 91 7.028 -5.387 6.749 1.00 0.00 H new ATOM 0 HE1 MET A 91 5.866 -7.783 9.901 1.00 0.00 H new ATOM 0 HE2 MET A 91 5.338 -8.067 8.225 1.00 0.00 H new ATOM 0 HE3 MET A 91 7.042 -7.684 8.569 1.00 0.00 H new ATOM 1493 N ILE A 92 4.275 -4.998 3.380 1.00 0.00 N ATOM 1494 CA ILE A 92 4.469 -5.753 2.149 1.00 0.00 C ATOM 1495 C ILE A 92 5.527 -5.099 1.265 1.00 0.00 C ATOM 1496 O ILE A 92 5.738 -3.888 1.325 1.00 0.00 O ATOM 1497 CB ILE A 92 3.153 -5.881 1.354 1.00 0.00 C ATOM 1498 CG1 ILE A 92 3.355 -6.762 0.119 1.00 0.00 C ATOM 1499 CG2 ILE A 92 2.637 -4.507 0.953 1.00 0.00 C ATOM 1500 CD1 ILE A 92 3.799 -8.171 0.448 1.00 0.00 C ATOM 0 H ILE A 92 4.344 -3.986 3.269 1.00 0.00 H new ATOM 0 HA ILE A 92 4.806 -6.749 2.437 1.00 0.00 H new ATOM 0 HB ILE A 92 2.408 -6.354 1.994 1.00 0.00 H new ATOM 0 HG12 ILE A 92 2.422 -6.806 -0.443 1.00 0.00 H new ATOM 0 HG13 ILE A 92 4.097 -6.298 -0.531 1.00 0.00 H new ATOM 0 HG21 ILE A 92 1.708 -4.616 0.393 1.00 0.00 H new ATOM 0 HG22 ILE A 92 2.454 -3.912 1.848 1.00 0.00 H new ATOM 0 HG23 ILE A 92 3.379 -4.007 0.331 1.00 0.00 H new ATOM 0 HD11 ILE A 92 3.922 -8.738 -0.474 1.00 0.00 H new ATOM 0 HD12 ILE A 92 4.748 -8.138 0.983 1.00 0.00 H new ATOM 0 HD13 ILE A 92 3.047 -8.653 1.073 1.00 0.00 H new ATOM 1512 N ASP A 93 6.191 -5.909 0.448 1.00 0.00 N ATOM 1513 CA ASP A 93 7.228 -5.411 -0.447 1.00 0.00 C ATOM 1514 C ASP A 93 6.807 -5.561 -1.905 1.00 0.00 C ATOM 1515 O ASP A 93 6.367 -6.630 -2.328 1.00 0.00 O ATOM 1516 CB ASP A 93 8.540 -6.158 -0.203 1.00 0.00 C ATOM 1517 CG ASP A 93 9.179 -5.790 1.121 1.00 0.00 C ATOM 1518 OD1 ASP A 93 8.946 -4.658 1.597 1.00 0.00 O ATOM 1519 OD2 ASP A 93 9.912 -6.631 1.681 1.00 0.00 O ATOM 0 H ASP A 93 6.029 -6.914 0.387 1.00 0.00 H new ATOM 0 HA ASP A 93 7.376 -4.351 -0.239 1.00 0.00 H new ATOM 0 HB2 ASP A 93 8.353 -7.232 -0.227 1.00 0.00 H new ATOM 0 HB3 ASP A 93 9.236 -5.938 -1.012 1.00 0.00 H new ATOM 1524 N LEU A 94 6.946 -4.484 -2.672 1.00 0.00 N ATOM 1525 CA LEU A 94 6.581 -4.497 -4.083 1.00 0.00 C ATOM 1526 C LEU A 94 7.391 -5.543 -4.841 1.00 0.00 C ATOM 1527 O LEU A 94 6.868 -6.236 -5.714 1.00 0.00 O ATOM 1528 CB LEU A 94 6.803 -3.115 -4.704 1.00 0.00 C ATOM 1529 CG LEU A 94 5.671 -2.112 -4.475 1.00 0.00 C ATOM 1530 CD1 LEU A 94 6.102 -0.715 -4.898 1.00 0.00 C ATOM 1531 CD2 LEU A 94 4.421 -2.537 -5.229 1.00 0.00 C ATOM 0 H LEU A 94 7.309 -3.591 -2.339 1.00 0.00 H new ATOM 0 HA LEU A 94 5.524 -4.754 -4.158 1.00 0.00 H new ATOM 0 HB2 LEU A 94 7.725 -2.697 -4.301 1.00 0.00 H new ATOM 0 HB3 LEU A 94 6.950 -3.235 -5.777 1.00 0.00 H new ATOM 0 HG LEU A 94 5.439 -2.092 -3.410 1.00 0.00 H new ATOM 0 HD11 LEU A 94 5.284 -0.015 -4.728 1.00 0.00 H new ATOM 0 HD12 LEU A 94 6.969 -0.409 -4.313 1.00 0.00 H new ATOM 0 HD13 LEU A 94 6.362 -0.719 -5.957 1.00 0.00 H new ATOM 0 HD21 LEU A 94 3.626 -1.812 -5.054 1.00 0.00 H new ATOM 0 HD22 LEU A 94 4.639 -2.587 -6.296 1.00 0.00 H new ATOM 0 HD23 LEU A 94 4.100 -3.518 -4.878 1.00 0.00 H new ATOM 1543 N GLY A 95 8.671 -5.653 -4.500 1.00 0.00 N ATOM 1544 CA GLY A 95 9.534 -6.618 -5.156 1.00 0.00 C ATOM 1545 C GLY A 95 10.395 -7.389 -4.174 1.00 0.00 C ATOM 1546 O GLY A 95 11.621 -7.296 -4.206 1.00 0.00 O ATOM 0 H GLY A 95 9.126 -5.091 -3.781 1.00 0.00 H new ATOM 0 HA2 GLY A 95 8.923 -7.318 -5.726 1.00 0.00 H new ATOM 0 HA3 GLY A 95 10.176 -6.101 -5.869 1.00 0.00 H new ATOM 1613 N LYS A 101 11.716 -2.472 3.286 1.00 0.00 N ATOM 1614 CA LYS A 101 12.938 -2.133 2.574 1.00 0.00 C ATOM 1615 C LYS A 101 12.635 -1.514 1.211 1.00 0.00 C ATOM 1616 O LYS A 101 13.443 -0.759 0.669 1.00 0.00 O ATOM 1617 CB LYS A 101 13.809 -3.379 2.395 1.00 0.00 C ATOM 1618 CG LYS A 101 14.445 -3.867 3.687 1.00 0.00 C ATOM 1619 CD LYS A 101 15.839 -3.291 3.874 1.00 0.00 C ATOM 1620 CE LYS A 101 16.761 -4.279 4.569 1.00 0.00 C ATOM 1621 NZ LYS A 101 18.165 -4.162 4.090 1.00 0.00 N ATOM 0 HA LYS A 101 13.477 -1.397 3.170 1.00 0.00 H new ATOM 0 HB2 LYS A 101 13.201 -4.180 1.974 1.00 0.00 H new ATOM 0 HB3 LYS A 101 14.595 -3.162 1.672 1.00 0.00 H new ATOM 0 HG2 LYS A 101 13.817 -3.585 4.532 1.00 0.00 H new ATOM 0 HG3 LYS A 101 14.498 -4.956 3.679 1.00 0.00 H new ATOM 0 HD2 LYS A 101 16.256 -3.023 2.903 1.00 0.00 H new ATOM 0 HD3 LYS A 101 15.779 -2.374 4.460 1.00 0.00 H new ATOM 0 HE2 LYS A 101 16.730 -4.109 5.645 1.00 0.00 H new ATOM 0 HE3 LYS A 101 16.402 -5.294 4.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 18.761 -4.853 4.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 18.200 -4.349 3.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 18.517 -3.202 4.278 1.00 0.00 H new ATOM 1635 N ILE A 102 11.469 -1.839 0.662 1.00 0.00 N ATOM 1636 CA ILE A 102 11.064 -1.317 -0.637 1.00 0.00 C ATOM 1637 C ILE A 102 10.820 0.188 -0.577 1.00 0.00 C ATOM 1638 O ILE A 102 9.677 0.646 -0.599 1.00 0.00 O ATOM 1639 CB ILE A 102 9.791 -2.013 -1.154 1.00 0.00 C ATOM 1640 CG1 ILE A 102 9.959 -3.532 -1.104 1.00 0.00 C ATOM 1641 CG2 ILE A 102 9.475 -1.555 -2.571 1.00 0.00 C ATOM 1642 CD1 ILE A 102 11.079 -4.045 -1.983 1.00 0.00 C ATOM 0 H ILE A 102 10.788 -2.462 1.097 1.00 0.00 H new ATOM 0 HA ILE A 102 11.884 -1.521 -1.326 1.00 0.00 H new ATOM 0 HB ILE A 102 8.956 -1.737 -0.510 1.00 0.00 H new ATOM 0 HG12 ILE A 102 10.148 -3.835 -0.074 1.00 0.00 H new ATOM 0 HG13 ILE A 102 9.024 -4.003 -1.408 1.00 0.00 H new ATOM 0 HG21 ILE A 102 8.573 -2.056 -2.922 1.00 0.00 H new ATOM 0 HG22 ILE A 102 9.318 -0.476 -2.578 1.00 0.00 H new ATOM 0 HG23 ILE A 102 10.308 -1.805 -3.228 1.00 0.00 H new ATOM 0 HD11 ILE A 102 11.140 -5.130 -1.898 1.00 0.00 H new ATOM 0 HD12 ILE A 102 10.882 -3.773 -3.020 1.00 0.00 H new ATOM 0 HD13 ILE A 102 12.023 -3.602 -1.665 1.00 0.00 H new ATOM 1654 N ASN A 103 11.903 0.952 -0.506 1.00 0.00 N ATOM 1655 CA ASN A 103 11.814 2.405 -0.447 1.00 0.00 C ATOM 1656 C ASN A 103 12.323 3.029 -1.744 1.00 0.00 C ATOM 1657 O ASN A 103 12.868 4.134 -1.740 1.00 0.00 O ATOM 1658 CB ASN A 103 12.619 2.939 0.740 1.00 0.00 C ATOM 1659 CG ASN A 103 14.009 2.339 0.814 1.00 0.00 C ATOM 1660 OD1 ASN A 103 14.444 1.635 -0.098 1.00 0.00 O ATOM 1661 ND2 ASN A 103 14.716 2.613 1.904 1.00 0.00 N ATOM 0 H ASN A 103 12.856 0.588 -0.488 1.00 0.00 H new ATOM 0 HA ASN A 103 10.767 2.678 -0.317 1.00 0.00 H new ATOM 0 HB2 ASN A 103 12.698 4.023 0.663 1.00 0.00 H new ATOM 0 HB3 ASN A 103 12.084 2.723 1.665 1.00 0.00 H new ATOM 0 HD21 ASN A 103 15.658 2.236 2.009 1.00 0.00 H new ATOM 0 HD22 ASN A 103 14.317 3.201 2.636 1.00 0.00 H new ATOM 1668 N TRP A 104 12.143 2.314 -2.849 1.00 0.00 N ATOM 1669 CA TRP A 104 12.586 2.795 -4.153 1.00 0.00 C ATOM 1670 C TRP A 104 11.688 2.259 -5.263 1.00 0.00 C ATOM 1671 O TRP A 104 11.271 3.002 -6.152 1.00 0.00 O ATOM 1672 CB TRP A 104 14.036 2.382 -4.407 1.00 0.00 C ATOM 1673 CG TRP A 104 14.788 3.352 -5.266 1.00 0.00 C ATOM 1674 CD1 TRP A 104 14.670 3.517 -6.616 1.00 0.00 C ATOM 1675 CD2 TRP A 104 15.778 4.294 -4.833 1.00 0.00 C ATOM 1676 NE1 TRP A 104 15.524 4.502 -7.048 1.00 0.00 N ATOM 1677 CE2 TRP A 104 16.215 4.994 -5.973 1.00 0.00 C ATOM 1678 CE3 TRP A 104 16.335 4.612 -3.590 1.00 0.00 C ATOM 1679 CZ2 TRP A 104 17.184 5.993 -5.906 1.00 0.00 C ATOM 1680 CZ3 TRP A 104 17.296 5.604 -3.527 1.00 0.00 C ATOM 1681 CH2 TRP A 104 17.711 6.284 -4.678 1.00 0.00 C ATOM 0 H TRP A 104 11.693 1.399 -2.868 1.00 0.00 H new ATOM 0 HA TRP A 104 12.522 3.883 -4.153 1.00 0.00 H new ATOM 0 HB2 TRP A 104 14.550 2.280 -3.451 1.00 0.00 H new ATOM 0 HB3 TRP A 104 14.049 1.401 -4.882 1.00 0.00 H new ATOM 0 HD1 TRP A 104 14.002 2.955 -7.252 1.00 0.00 H new ATOM 0 HE1 TRP A 104 15.627 4.816 -8.013 1.00 0.00 H new ATOM 0 HE3 TRP A 104 16.021 4.093 -2.697 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 17.507 6.519 -6.792 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 17.734 5.859 -2.573 1.00 0.00 H new ATOM 0 HH2 TRP A 104 18.463 7.055 -4.595 1.00 0.00 H new ATOM 1692 N ALA A 105 11.393 0.963 -5.204 1.00 0.00 N ATOM 1693 CA ALA A 105 10.542 0.322 -6.201 1.00 0.00 C ATOM 1694 C ALA A 105 11.233 0.257 -7.559 1.00 0.00 C ATOM 1695 O ALA A 105 11.770 1.254 -8.044 1.00 0.00 O ATOM 1696 CB ALA A 105 9.211 1.054 -6.314 1.00 0.00 C ATOM 0 H ALA A 105 11.732 0.336 -4.475 1.00 0.00 H new ATOM 0 HA ALA A 105 10.353 -0.700 -5.873 1.00 0.00 H new ATOM 0 HB1 ALA A 105 8.588 0.563 -7.062 1.00 0.00 H new ATOM 0 HB2 ALA A 105 8.703 1.036 -5.350 1.00 0.00 H new ATOM 0 HB3 ALA A 105 9.388 2.088 -6.611 1.00 0.00 H new ATOM 1702 N MET A 106 11.210 -0.923 -8.169 1.00 0.00 N ATOM 1703 CA MET A 106 11.828 -1.126 -9.475 1.00 0.00 C ATOM 1704 C MET A 106 11.003 -2.099 -10.312 1.00 0.00 C ATOM 1705 O MET A 106 10.274 -2.931 -9.773 1.00 0.00 O ATOM 1706 CB MET A 106 13.254 -1.655 -9.313 1.00 0.00 C ATOM 1707 CG MET A 106 13.975 -1.875 -10.633 1.00 0.00 C ATOM 1708 SD MET A 106 15.759 -1.662 -10.494 1.00 0.00 S ATOM 1709 CE MET A 106 16.275 -2.021 -12.171 1.00 0.00 C ATOM 0 H MET A 106 10.769 -1.756 -7.779 1.00 0.00 H new ATOM 0 HA MET A 106 11.864 -0.166 -9.989 1.00 0.00 H new ATOM 0 HB2 MET A 106 13.827 -0.952 -8.708 1.00 0.00 H new ATOM 0 HB3 MET A 106 13.223 -2.596 -8.764 1.00 0.00 H new ATOM 0 HG2 MET A 106 13.760 -2.880 -10.997 1.00 0.00 H new ATOM 0 HG3 MET A 106 13.587 -1.178 -11.375 1.00 0.00 H new ATOM 0 HE1 MET A 106 17.359 -1.931 -12.245 1.00 0.00 H new ATOM 0 HE2 MET A 106 15.977 -3.036 -12.434 1.00 0.00 H new ATOM 0 HE3 MET A 106 15.804 -1.315 -12.855 1.00 0.00 H new ATOM 1719 N GLU A 107 11.119 -1.988 -11.632 1.00 0.00 N ATOM 1720 CA GLU A 107 10.380 -2.855 -12.544 1.00 0.00 C ATOM 1721 C GLU A 107 8.901 -2.487 -12.549 1.00 0.00 C ATOM 1722 O GLU A 107 8.173 -2.777 -11.601 1.00 0.00 O ATOM 1723 CB GLU A 107 10.550 -4.324 -12.158 1.00 0.00 C ATOM 1724 CG GLU A 107 11.978 -4.696 -11.791 1.00 0.00 C ATOM 1725 CD GLU A 107 12.370 -6.071 -12.297 1.00 0.00 C ATOM 1726 OE1 GLU A 107 11.497 -6.963 -12.330 1.00 0.00 O ATOM 1727 OE2 GLU A 107 13.551 -6.256 -12.659 1.00 0.00 O ATOM 0 H GLU A 107 11.719 -1.305 -12.095 1.00 0.00 H new ATOM 0 HA GLU A 107 10.784 -2.711 -13.546 1.00 0.00 H new ATOM 0 HB2 GLU A 107 9.897 -4.547 -11.314 1.00 0.00 H new ATOM 0 HB3 GLU A 107 10.223 -4.949 -12.989 1.00 0.00 H new ATOM 0 HG2 GLU A 107 12.661 -3.953 -12.203 1.00 0.00 H new ATOM 0 HG3 GLU A 107 12.090 -4.666 -10.707 1.00 0.00 H new ATOM 1734 N ASP A 108 8.471 -1.842 -13.624 1.00 0.00 N ATOM 1735 CA ASP A 108 7.081 -1.422 -13.760 1.00 0.00 C ATOM 1736 C ASP A 108 6.246 -2.485 -14.466 1.00 0.00 C ATOM 1737 O ASP A 108 6.680 -3.071 -15.458 1.00 0.00 O ATOM 1738 CB ASP A 108 7.001 -0.102 -14.530 1.00 0.00 C ATOM 1739 CG ASP A 108 7.787 -0.140 -15.826 1.00 0.00 C ATOM 1740 OD1 ASP A 108 7.417 -0.928 -16.722 1.00 0.00 O ATOM 1741 OD2 ASP A 108 8.773 0.618 -15.945 1.00 0.00 O ATOM 0 H ASP A 108 9.065 -1.597 -14.417 1.00 0.00 H new ATOM 0 HA ASP A 108 6.675 -1.281 -12.758 1.00 0.00 H new ATOM 0 HB2 ASP A 108 5.958 0.126 -14.748 1.00 0.00 H new ATOM 0 HB3 ASP A 108 7.379 0.705 -13.902 1.00 0.00 H new ATOM 1746 N LYS A 109 5.041 -2.723 -13.942 1.00 0.00 N ATOM 1747 CA LYS A 109 4.112 -3.710 -14.505 1.00 0.00 C ATOM 1748 C LYS A 109 4.363 -5.106 -13.937 1.00 0.00 C ATOM 1749 O LYS A 109 3.423 -5.860 -13.690 1.00 0.00 O ATOM 1750 CB LYS A 109 4.201 -3.746 -16.034 1.00 0.00 C ATOM 1751 CG LYS A 109 2.857 -3.932 -16.719 1.00 0.00 C ATOM 1752 CD LYS A 109 2.794 -3.180 -18.037 1.00 0.00 C ATOM 1753 CE LYS A 109 3.199 -4.066 -19.205 1.00 0.00 C ATOM 1754 NZ LYS A 109 4.665 -4.020 -19.456 1.00 0.00 N ATOM 0 H LYS A 109 4.681 -2.240 -13.119 1.00 0.00 H new ATOM 0 HA LYS A 109 3.107 -3.399 -14.220 1.00 0.00 H new ATOM 0 HB2 LYS A 109 4.653 -2.818 -16.385 1.00 0.00 H new ATOM 0 HB3 LYS A 109 4.866 -4.557 -16.332 1.00 0.00 H new ATOM 0 HG2 LYS A 109 2.682 -4.993 -16.896 1.00 0.00 H new ATOM 0 HG3 LYS A 109 2.061 -3.583 -16.061 1.00 0.00 H new ATOM 0 HD2 LYS A 109 1.782 -2.807 -18.196 1.00 0.00 H new ATOM 0 HD3 LYS A 109 3.451 -2.311 -17.993 1.00 0.00 H new ATOM 0 HE2 LYS A 109 2.898 -5.094 -19.002 1.00 0.00 H new ATOM 0 HE3 LYS A 109 2.667 -3.749 -20.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 4.899 -4.637 -20.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 4.949 -3.044 -19.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 5.173 -4.347 -18.609 1.00 0.00 H new ATOM 1768 N GLN A 110 5.631 -5.447 -13.736 1.00 0.00 N ATOM 1769 CA GLN A 110 5.994 -6.754 -13.203 1.00 0.00 C ATOM 1770 C GLN A 110 6.062 -6.724 -11.679 1.00 0.00 C ATOM 1771 O GLN A 110 5.563 -7.628 -11.008 1.00 0.00 O ATOM 1772 CB GLN A 110 7.341 -7.199 -13.777 1.00 0.00 C ATOM 1773 CG GLN A 110 7.214 -8.120 -14.981 1.00 0.00 C ATOM 1774 CD GLN A 110 7.436 -9.576 -14.626 1.00 0.00 C ATOM 1775 OE1 GLN A 110 6.513 -10.389 -14.681 1.00 0.00 O ATOM 1776 NE2 GLN A 110 8.666 -9.915 -14.257 1.00 0.00 N ATOM 0 H GLN A 110 6.424 -4.837 -13.934 1.00 0.00 H new ATOM 0 HA GLN A 110 5.224 -7.467 -13.497 1.00 0.00 H new ATOM 0 HB2 GLN A 110 7.914 -6.317 -14.063 1.00 0.00 H new ATOM 0 HB3 GLN A 110 7.908 -7.709 -12.998 1.00 0.00 H new ATOM 0 HG2 GLN A 110 6.223 -8.004 -15.420 1.00 0.00 H new ATOM 0 HG3 GLN A 110 7.936 -7.821 -15.741 1.00 0.00 H new ATOM 0 HE21 GLN A 110 9.402 -9.209 -14.225 1.00 0.00 H new ATOM 0 HE22 GLN A 110 8.875 -10.881 -14.005 1.00 0.00 H new ATOM 1785 N GLU A 111 6.687 -5.682 -11.140 1.00 0.00 N ATOM 1786 CA GLU A 111 6.824 -5.535 -9.696 1.00 0.00 C ATOM 1787 C GLU A 111 5.461 -5.523 -9.012 1.00 0.00 C ATOM 1788 O GLU A 111 5.250 -6.216 -8.016 1.00 0.00 O ATOM 1789 CB GLU A 111 7.583 -4.250 -9.366 1.00 0.00 C ATOM 1790 CG GLU A 111 7.923 -4.103 -7.893 1.00 0.00 C ATOM 1791 CD GLU A 111 9.353 -4.499 -7.582 1.00 0.00 C ATOM 1792 OE1 GLU A 111 9.803 -5.548 -8.090 1.00 0.00 O ATOM 1793 OE2 GLU A 111 10.024 -3.760 -6.832 1.00 0.00 O ATOM 0 H GLU A 111 7.107 -4.927 -11.682 1.00 0.00 H new ATOM 0 HA GLU A 111 7.386 -6.391 -9.323 1.00 0.00 H new ATOM 0 HB2 GLU A 111 8.505 -4.224 -9.947 1.00 0.00 H new ATOM 0 HB3 GLU A 111 6.984 -3.394 -9.679 1.00 0.00 H new ATOM 0 HG2 GLU A 111 7.762 -3.069 -7.588 1.00 0.00 H new ATOM 0 HG3 GLU A 111 7.243 -4.719 -7.304 1.00 0.00 H new ATOM 1800 N MET A 112 4.541 -4.729 -9.549 1.00 0.00 N ATOM 1801 CA MET A 112 3.200 -4.626 -8.987 1.00 0.00 C ATOM 1802 C MET A 112 2.503 -5.983 -8.981 1.00 0.00 C ATOM 1803 O MET A 112 2.080 -6.469 -7.933 1.00 0.00 O ATOM 1804 CB MET A 112 2.369 -3.610 -9.776 1.00 0.00 C ATOM 1805 CG MET A 112 1.814 -2.485 -8.919 1.00 0.00 C ATOM 1806 SD MET A 112 0.850 -3.088 -7.519 1.00 0.00 S ATOM 1807 CE MET A 112 1.540 -2.108 -6.187 1.00 0.00 C ATOM 0 H MET A 112 4.700 -4.148 -10.372 1.00 0.00 H new ATOM 0 HA MET A 112 3.291 -4.285 -7.956 1.00 0.00 H new ATOM 0 HB2 MET A 112 2.986 -3.183 -10.567 1.00 0.00 H new ATOM 0 HB3 MET A 112 1.542 -4.128 -10.262 1.00 0.00 H new ATOM 0 HG2 MET A 112 2.638 -1.873 -8.551 1.00 0.00 H new ATOM 0 HG3 MET A 112 1.188 -1.839 -9.535 1.00 0.00 H new ATOM 0 HE1 MET A 112 1.450 -2.655 -5.248 1.00 0.00 H new ATOM 0 HE2 MET A 112 2.592 -1.907 -6.390 1.00 0.00 H new ATOM 0 HE3 MET A 112 0.998 -1.165 -6.111 1.00 0.00 H new ATOM 1817 N VAL A 113 2.386 -6.592 -10.156 1.00 0.00 N ATOM 1818 CA VAL A 113 1.739 -7.896 -10.282 1.00 0.00 C ATOM 1819 C VAL A 113 2.265 -8.876 -9.234 1.00 0.00 C ATOM 1820 O VAL A 113 1.520 -9.708 -8.716 1.00 0.00 O ATOM 1821 CB VAL A 113 1.962 -8.500 -11.683 1.00 0.00 C ATOM 1822 CG1 VAL A 113 1.271 -9.851 -11.805 1.00 0.00 C ATOM 1823 CG2 VAL A 113 1.471 -7.548 -12.763 1.00 0.00 C ATOM 0 H VAL A 113 2.730 -6.205 -11.035 1.00 0.00 H new ATOM 0 HA VAL A 113 0.672 -7.735 -10.126 1.00 0.00 H new ATOM 0 HB VAL A 113 3.033 -8.651 -11.821 1.00 0.00 H new ATOM 0 HG11 VAL A 113 1.442 -10.258 -12.801 1.00 0.00 H new ATOM 0 HG12 VAL A 113 1.675 -10.535 -11.059 1.00 0.00 H new ATOM 0 HG13 VAL A 113 0.200 -9.728 -11.642 1.00 0.00 H new ATOM 0 HG21 VAL A 113 1.638 -7.993 -13.744 1.00 0.00 H new ATOM 0 HG22 VAL A 113 0.406 -7.360 -12.626 1.00 0.00 H new ATOM 0 HG23 VAL A 113 2.017 -6.607 -12.694 1.00 0.00 H new ATOM 1833 N ASP A 114 3.554 -8.771 -8.937 1.00 0.00 N ATOM 1834 CA ASP A 114 4.194 -9.648 -7.962 1.00 0.00 C ATOM 1835 C ASP A 114 3.610 -9.459 -6.563 1.00 0.00 C ATOM 1836 O ASP A 114 3.314 -10.436 -5.872 1.00 0.00 O ATOM 1837 CB ASP A 114 5.702 -9.392 -7.932 1.00 0.00 C ATOM 1838 CG ASP A 114 6.354 -9.623 -9.282 1.00 0.00 C ATOM 1839 OD1 ASP A 114 5.851 -10.474 -10.045 1.00 0.00 O ATOM 1840 OD2 ASP A 114 7.367 -8.954 -9.573 1.00 0.00 O ATOM 0 H ASP A 114 4.180 -8.085 -9.359 1.00 0.00 H new ATOM 0 HA ASP A 114 4.004 -10.676 -8.270 1.00 0.00 H new ATOM 0 HB2 ASP A 114 5.888 -8.367 -7.613 1.00 0.00 H new ATOM 0 HB3 ASP A 114 6.164 -10.045 -7.192 1.00 0.00 H new ATOM 1845 N ILE A 115 3.457 -8.207 -6.141 1.00 0.00 N ATOM 1846 CA ILE A 115 2.921 -7.915 -4.816 1.00 0.00 C ATOM 1847 C ILE A 115 1.466 -8.356 -4.693 1.00 0.00 C ATOM 1848 O ILE A 115 1.077 -8.978 -3.705 1.00 0.00 O ATOM 1849 CB ILE A 115 3.046 -6.409 -4.463 1.00 0.00 C ATOM 1850 CG1 ILE A 115 3.266 -6.238 -2.960 1.00 0.00 C ATOM 1851 CG2 ILE A 115 1.819 -5.619 -4.914 1.00 0.00 C ATOM 1852 CD1 ILE A 115 3.559 -4.811 -2.550 1.00 0.00 C ATOM 0 H ILE A 115 3.695 -7.383 -6.694 1.00 0.00 H new ATOM 0 HA ILE A 115 3.520 -8.485 -4.105 1.00 0.00 H new ATOM 0 HB ILE A 115 3.908 -6.011 -4.999 1.00 0.00 H new ATOM 0 HG12 ILE A 115 2.379 -6.585 -2.430 1.00 0.00 H new ATOM 0 HG13 ILE A 115 4.094 -6.874 -2.648 1.00 0.00 H new ATOM 0 HG21 ILE A 115 1.945 -4.569 -4.649 1.00 0.00 H new ATOM 0 HG22 ILE A 115 1.705 -5.709 -5.994 1.00 0.00 H new ATOM 0 HG23 ILE A 115 0.931 -6.014 -4.421 1.00 0.00 H new ATOM 0 HD11 ILE A 115 3.704 -4.765 -1.471 1.00 0.00 H new ATOM 0 HD12 ILE A 115 4.463 -4.466 -3.053 1.00 0.00 H new ATOM 0 HD13 ILE A 115 2.722 -4.172 -2.831 1.00 0.00 H new ATOM 1864 N ILE A 116 0.663 -8.019 -5.696 1.00 0.00 N ATOM 1865 CA ILE A 116 -0.748 -8.373 -5.688 1.00 0.00 C ATOM 1866 C ILE A 116 -0.937 -9.884 -5.609 1.00 0.00 C ATOM 1867 O ILE A 116 -1.879 -10.371 -4.984 1.00 0.00 O ATOM 1868 CB ILE A 116 -1.472 -7.836 -6.938 1.00 0.00 C ATOM 1869 CG1 ILE A 116 -1.197 -6.341 -7.111 1.00 0.00 C ATOM 1870 CG2 ILE A 116 -2.969 -8.097 -6.841 1.00 0.00 C ATOM 1871 CD1 ILE A 116 -0.889 -5.946 -8.538 1.00 0.00 C ATOM 0 H ILE A 116 0.966 -7.503 -6.522 1.00 0.00 H new ATOM 0 HA ILE A 116 -1.184 -7.911 -4.802 1.00 0.00 H new ATOM 0 HB ILE A 116 -1.089 -8.361 -7.813 1.00 0.00 H new ATOM 0 HG12 ILE A 116 -2.064 -5.778 -6.765 1.00 0.00 H new ATOM 0 HG13 ILE A 116 -0.358 -6.058 -6.475 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -3.464 -7.711 -7.732 1.00 0.00 H new ATOM 0 HG22 ILE A 116 -3.147 -9.170 -6.763 1.00 0.00 H new ATOM 0 HG23 ILE A 116 -3.369 -7.597 -5.959 1.00 0.00 H new ATOM 0 HD11 ILE A 116 -0.704 -4.873 -8.587 1.00 0.00 H new ATOM 0 HD12 ILE A 116 -0.004 -6.482 -8.881 1.00 0.00 H new ATOM 0 HD13 ILE A 116 -1.736 -6.198 -9.176 1.00 0.00 H new ATOM 1883 N GLU A 117 -0.035 -10.622 -6.248 1.00 0.00 N ATOM 1884 CA GLU A 117 -0.103 -12.079 -6.251 1.00 0.00 C ATOM 1885 C GLU A 117 0.101 -12.637 -4.846 1.00 0.00 C ATOM 1886 O GLU A 117 -0.570 -13.586 -4.441 1.00 0.00 O ATOM 1887 CB GLU A 117 0.949 -12.657 -7.199 1.00 0.00 C ATOM 1888 CG GLU A 117 0.656 -14.083 -7.637 1.00 0.00 C ATOM 1889 CD GLU A 117 1.489 -15.105 -6.887 1.00 0.00 C ATOM 1890 OE1 GLU A 117 1.583 -14.998 -5.646 1.00 0.00 O ATOM 1891 OE2 GLU A 117 2.047 -16.010 -7.541 1.00 0.00 O ATOM 0 H GLU A 117 0.751 -10.235 -6.770 1.00 0.00 H new ATOM 0 HA GLU A 117 -1.095 -12.371 -6.597 1.00 0.00 H new ATOM 0 HB2 GLU A 117 1.018 -12.022 -8.082 1.00 0.00 H new ATOM 0 HB3 GLU A 117 1.922 -12.629 -6.709 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -0.401 -14.297 -7.482 1.00 0.00 H new ATOM 0 HG3 GLU A 117 0.847 -14.178 -8.706 1.00 0.00 H new ATOM 1898 N THR A 118 1.032 -12.043 -4.108 1.00 0.00 N ATOM 1899 CA THR A 118 1.325 -12.482 -2.748 1.00 0.00 C ATOM 1900 C THR A 118 0.294 -11.936 -1.765 1.00 0.00 C ATOM 1901 O THR A 118 -0.189 -12.658 -0.892 1.00 0.00 O ATOM 1902 CB THR A 118 2.728 -12.033 -2.335 1.00 0.00 C ATOM 1903 OG1 THR A 118 2.963 -10.695 -2.735 1.00 0.00 O ATOM 1904 CG2 THR A 118 3.828 -12.889 -2.925 1.00 0.00 C ATOM 0 H THR A 118 1.597 -11.256 -4.428 1.00 0.00 H new ATOM 0 HA THR A 118 1.279 -13.571 -2.727 1.00 0.00 H new ATOM 0 HB THR A 118 2.756 -12.132 -1.250 1.00 0.00 H new ATOM 0 HG1 THR A 118 2.110 -10.265 -2.955 1.00 0.00 H new ATOM 0 HG21 THR A 118 4.797 -12.516 -2.593 1.00 0.00 H new ATOM 0 HG22 THR A 118 3.703 -13.920 -2.595 1.00 0.00 H new ATOM 0 HG23 THR A 118 3.777 -12.848 -4.013 1.00 0.00 H new ATOM 1912 N VAL A 119 -0.037 -10.658 -1.910 1.00 0.00 N ATOM 1913 CA VAL A 119 -1.010 -10.016 -1.035 1.00 0.00 C ATOM 1914 C VAL A 119 -2.399 -10.613 -1.224 1.00 0.00 C ATOM 1915 O VAL A 119 -3.077 -10.954 -0.255 1.00 0.00 O ATOM 1916 CB VAL A 119 -1.077 -8.497 -1.288 1.00 0.00 C ATOM 1917 CG1 VAL A 119 -1.991 -7.824 -0.275 1.00 0.00 C ATOM 1918 CG2 VAL A 119 0.316 -7.884 -1.248 1.00 0.00 C ATOM 0 H VAL A 119 0.355 -10.046 -2.626 1.00 0.00 H new ATOM 0 HA VAL A 119 -0.679 -10.192 -0.012 1.00 0.00 H new ATOM 0 HB VAL A 119 -1.492 -8.334 -2.282 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -2.025 -6.752 -0.471 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -2.995 -8.240 -0.358 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -1.609 -7.997 0.731 1.00 0.00 H new ATOM 0 HG21 VAL A 119 0.247 -6.811 -1.429 1.00 0.00 H new ATOM 0 HG22 VAL A 119 0.763 -8.059 -0.269 1.00 0.00 H new ATOM 0 HG23 VAL A 119 0.937 -8.342 -2.017 1.00 0.00 H new ATOM 1928 N TYR A 120 -2.819 -10.736 -2.479 1.00 0.00 N ATOM 1929 CA TYR A 120 -4.131 -11.291 -2.795 1.00 0.00 C ATOM 1930 C TYR A 120 -4.237 -12.737 -2.329 1.00 0.00 C ATOM 1931 O TYR A 120 -4.964 -13.048 -1.385 1.00 0.00 O ATOM 1932 CB TYR A 120 -4.396 -11.205 -4.299 1.00 0.00 C ATOM 1933 CG TYR A 120 -5.753 -11.733 -4.707 1.00 0.00 C ATOM 1934 CD1 TYR A 120 -5.952 -13.089 -4.933 1.00 0.00 C ATOM 1935 CD2 TYR A 120 -6.835 -10.876 -4.865 1.00 0.00 C ATOM 1936 CE1 TYR A 120 -7.190 -13.575 -5.307 1.00 0.00 C ATOM 1937 CE2 TYR A 120 -8.077 -11.355 -5.238 1.00 0.00 C ATOM 1938 CZ TYR A 120 -8.248 -12.705 -5.457 1.00 0.00 C ATOM 1939 OH TYR A 120 -9.483 -13.185 -5.829 1.00 0.00 O ATOM 0 H TYR A 120 -2.271 -10.459 -3.293 1.00 0.00 H new ATOM 0 HA TYR A 120 -4.883 -10.704 -2.267 1.00 0.00 H new ATOM 0 HB2 TYR A 120 -4.310 -10.166 -4.616 1.00 0.00 H new ATOM 0 HB3 TYR A 120 -3.624 -11.764 -4.828 1.00 0.00 H new ATOM 0 HD1 TYR A 120 -5.126 -13.774 -4.814 1.00 0.00 H new ATOM 0 HD2 TYR A 120 -6.704 -9.818 -4.694 1.00 0.00 H new ATOM 0 HE1 TYR A 120 -7.328 -14.632 -5.481 1.00 0.00 H new ATOM 0 HE2 TYR A 120 -8.908 -10.676 -5.357 1.00 0.00 H new ATOM 0 HH TYR A 120 -10.119 -12.441 -5.889 1.00 0.00 H new ATOM 1949 N ARG A 121 -3.507 -13.613 -3.002 1.00 0.00 N ATOM 1950 CA ARG A 121 -3.510 -15.034 -2.670 1.00 0.00 C ATOM 1951 C ARG A 121 -3.116 -15.256 -1.213 1.00 0.00 C ATOM 1952 O ARG A 121 -3.569 -16.207 -0.575 1.00 0.00 O ATOM 1953 CB ARG A 121 -2.553 -15.795 -3.589 1.00 0.00 C ATOM 1954 CG ARG A 121 -2.954 -15.751 -5.055 1.00 0.00 C ATOM 1955 CD ARG A 121 -2.281 -16.858 -5.850 1.00 0.00 C ATOM 1956 NE ARG A 121 -2.442 -18.164 -5.216 1.00 0.00 N ATOM 1957 CZ ARG A 121 -1.696 -19.227 -5.506 1.00 0.00 C ATOM 1958 NH1 ARG A 121 -0.737 -19.143 -6.421 1.00 0.00 N ATOM 1959 NH2 ARG A 121 -1.909 -20.377 -4.881 1.00 0.00 N ATOM 0 H ARG A 121 -2.902 -13.366 -3.785 1.00 0.00 H new ATOM 0 HA ARG A 121 -4.522 -15.412 -2.815 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -1.551 -15.378 -3.482 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -2.502 -16.835 -3.266 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -4.036 -15.847 -5.140 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -2.685 -14.783 -5.478 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -2.701 -16.889 -6.855 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -1.219 -16.635 -5.955 1.00 0.00 H new ATOM 0 HE ARG A 121 -3.170 -18.267 -4.509 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -0.570 -18.261 -6.905 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -0.168 -19.961 -6.640 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -2.645 -20.447 -4.178 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -1.337 -21.192 -5.103 1.00 0.00 H new ATOM 1973 N GLY A 122 -2.270 -14.374 -0.691 1.00 0.00 N ATOM 1974 CA GLY A 122 -1.831 -14.493 0.686 1.00 0.00 C ATOM 1975 C GLY A 122 -2.893 -14.051 1.674 1.00 0.00 C ATOM 1976 O GLY A 122 -3.169 -14.745 2.652 1.00 0.00 O ATOM 0 H GLY A 122 -1.881 -13.579 -1.198 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -1.559 -15.529 0.889 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -0.932 -13.893 0.831 1.00 0.00 H new ATOM 1980 N ALA A 123 -3.489 -12.891 1.418 1.00 0.00 N ATOM 1981 CA ALA A 123 -4.527 -12.355 2.292 1.00 0.00 C ATOM 1982 C ALA A 123 -5.918 -12.820 1.864 1.00 0.00 C ATOM 1983 O ALA A 123 -6.925 -12.239 2.268 1.00 0.00 O ATOM 1984 CB ALA A 123 -4.463 -10.834 2.311 1.00 0.00 C ATOM 0 H ALA A 123 -3.271 -12.304 0.613 1.00 0.00 H new ATOM 0 HA ALA A 123 -4.345 -12.735 3.297 1.00 0.00 H new ATOM 0 HB1 ALA A 123 -5.242 -10.445 2.966 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -3.487 -10.515 2.678 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -4.613 -10.451 1.302 1.00 0.00 H new ATOM 1990 N ARG A 124 -5.971 -13.870 1.048 1.00 0.00 N ATOM 1991 CA ARG A 124 -7.244 -14.403 0.574 1.00 0.00 C ATOM 1992 C ARG A 124 -7.890 -15.288 1.637 1.00 0.00 C ATOM 1993 O ARG A 124 -7.756 -16.510 1.605 1.00 0.00 O ATOM 1994 CB ARG A 124 -7.038 -15.198 -0.718 1.00 0.00 C ATOM 1995 CG ARG A 124 -7.588 -14.504 -1.953 1.00 0.00 C ATOM 1996 CD ARG A 124 -7.961 -15.505 -3.034 1.00 0.00 C ATOM 1997 NE ARG A 124 -9.161 -15.101 -3.764 1.00 0.00 N ATOM 1998 CZ ARG A 124 -9.708 -15.817 -4.744 1.00 0.00 C ATOM 1999 NH1 ARG A 124 -9.169 -16.971 -5.114 1.00 0.00 N ATOM 2000 NH2 ARG A 124 -10.799 -15.376 -5.355 1.00 0.00 N ATOM 0 H ARG A 124 -5.150 -14.367 0.703 1.00 0.00 H new ATOM 0 HA ARG A 124 -7.911 -13.565 0.372 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -5.972 -15.379 -0.857 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -7.516 -16.172 -0.616 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -8.465 -13.916 -1.681 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -6.845 -13.807 -2.341 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -7.131 -15.611 -3.732 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -8.124 -16.483 -2.582 1.00 0.00 H new ATOM 0 HE ARG A 124 -9.605 -14.219 -3.508 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -8.330 -17.315 -4.647 1.00 0.00 H new ATOM 0 HH12 ARG A 124 -9.593 -17.514 -5.866 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -11.218 -14.489 -5.074 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -11.219 -15.923 -6.106 1.00 0.00 H new