USER MOD reduce.3.24.130724 H: found=0, std=0, add=812, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 809 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 32 THR OG1 : rot 140:sc= 0 USER MOD Set 1.2: A 82 SER OG : rot -62:sc= -2.34 USER MOD Set 1.3: A 84 ASN : amide:sc= -9.67! C(o=-12!,f=-27!) USER MOD Set 2.1: A 26 SER OG : rot 180:sc= -0.0718! USER MOD Set 2.2: A 27 ASN :FLIP amide:sc= -4.39! C(o=-5.4!,f=-4.5!) USER MOD Set 3.1: A 8 SER OG : rot 180:sc=-0.000849 USER MOD Set 3.2: A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 ASP N :NH3+ 147:sc= 1.09 (180deg=0.603) USER MOD Single : A 9 CYS SG : rot -26:sc= -10.5! USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 14 LYS NZ :NH3+ -121:sc= -0.136 (180deg=-0.702) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN :FLIP amide:sc= -1.87! C(o=-6.4!,f=-1.9!) USER MOD Single : A 23 GLN : amide:sc= 0.96 K(o=0.96,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 150:sc= -3.54! (180deg=-3.81!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot 10:sc= -7.7! USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 25:sc= 1.17 USER MOD Single : A 41 GLN : amide:sc= 0.0409 K(o=0.041,f=-0.69) USER MOD Single : A 45 LYS NZ :NH3+ -166:sc= -0.2 (180deg=-0.821) USER MOD Single : A 57 THR OG1 : rot -170:sc= -1.59 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.0229 USER MOD Single : A 64 GLN : amide:sc= 0.449 K(o=0.45,f=-0.18) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 180:sc= -0.151 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= -0.926 USER MOD Single : A 79 HIS : no HE2:sc= -1.61 K(o=-1.6,f=-7.6!) USER MOD Single : A 83 SER OG : rot 143:sc= 1.15 USER MOD Single : A 92 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 GLN : amide:sc= -4.12! C(o=-4.1!,f=-9.7!) USER MOD Single : A 102 ASN :FLIP amide:sc= -0.0981 F(o=-1.1!,f=-0.098) USER MOD Single : A 104 ASN : amide:sc= 0.181 K(o=0.18,f=-1.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 12.038 -12.190 -6.206 1.00 0.00 N ATOM 2 CA ASP A 1 10.926 -12.630 -5.324 1.00 0.00 C ATOM 3 C ASP A 1 9.744 -11.669 -5.422 1.00 0.00 C ATOM 4 O ASP A 1 9.554 -10.823 -4.570 1.00 0.00 O ATOM 5 CB ASP A 1 11.433 -12.647 -3.874 1.00 0.00 C ATOM 6 CG ASP A 1 12.620 -13.609 -3.764 1.00 0.00 C ATOM 7 OD1 ASP A 1 13.579 -13.370 -4.479 1.00 0.00 O ATOM 8 OD2 ASP A 1 12.499 -14.528 -2.971 1.00 0.00 O ATOM 0 H1 ASP A 1 12.948 -12.443 -5.770 1.00 0.00 H new ATOM 0 H2 ASP A 1 11.954 -12.659 -7.130 1.00 0.00 H new ATOM 0 H3 ASP A 1 11.991 -11.159 -6.335 1.00 0.00 H new ATOM 0 HA ASP A 1 10.596 -13.622 -5.634 1.00 0.00 H new ATOM 0 HB2 ASP A 1 11.733 -11.644 -3.570 1.00 0.00 H new ATOM 0 HB3 ASP A 1 10.634 -12.958 -3.201 1.00 0.00 H new ATOM 13 N TRP A 2 8.971 -11.818 -6.463 1.00 0.00 N ATOM 14 CA TRP A 2 7.797 -10.925 -6.641 1.00 0.00 C ATOM 15 C TRP A 2 6.549 -11.487 -5.948 1.00 0.00 C ATOM 16 O TRP A 2 5.768 -12.183 -6.564 1.00 0.00 O ATOM 17 CB TRP A 2 7.507 -10.831 -8.160 1.00 0.00 C ATOM 18 CG TRP A 2 8.208 -9.606 -8.761 1.00 0.00 C ATOM 19 CD1 TRP A 2 9.191 -8.940 -8.170 1.00 0.00 C ATOM 20 CD2 TRP A 2 7.881 -9.049 -9.908 1.00 0.00 C ATOM 21 NE1 TRP A 2 9.443 -7.928 -9.020 1.00 0.00 N ATOM 22 CE2 TRP A 2 8.650 -7.926 -10.151 1.00 0.00 C ATOM 23 CE3 TRP A 2 6.940 -9.448 -10.850 1.00 0.00 C ATOM 24 CZ2 TRP A 2 8.478 -7.206 -11.314 1.00 0.00 C ATOM 25 CZ3 TRP A 2 6.780 -8.724 -12.014 1.00 0.00 C ATOM 26 CH2 TRP A 2 7.549 -7.605 -12.243 1.00 0.00 C ATOM 0 H TRP A 2 9.103 -12.517 -7.194 1.00 0.00 H new ATOM 0 HA TRP A 2 8.023 -9.953 -6.203 1.00 0.00 H new ATOM 0 HB2 TRP A 2 7.851 -11.737 -8.660 1.00 0.00 H new ATOM 0 HB3 TRP A 2 6.432 -10.763 -8.328 1.00 0.00 H new ATOM 0 HD1 TRP A 2 9.675 -9.158 -7.229 1.00 0.00 H new ATOM 0 HE1 TRP A 2 10.158 -7.223 -8.844 1.00 0.00 H new ATOM 0 HE3 TRP A 2 6.334 -10.324 -10.671 1.00 0.00 H new ATOM 0 HZ2 TRP A 2 9.076 -6.325 -11.495 1.00 0.00 H new ATOM 0 HZ3 TRP A 2 6.050 -9.036 -12.747 1.00 0.00 H new ATOM 0 HH2 TRP A 2 7.421 -7.040 -13.155 1.00 0.00 H new ATOM 37 N VAL A 3 6.368 -11.153 -4.683 1.00 0.00 N ATOM 38 CA VAL A 3 5.165 -11.671 -3.958 1.00 0.00 C ATOM 39 C VAL A 3 4.810 -10.794 -2.746 1.00 0.00 C ATOM 40 O VAL A 3 5.263 -11.043 -1.646 1.00 0.00 O ATOM 41 CB VAL A 3 5.473 -13.093 -3.436 1.00 0.00 C ATOM 42 CG1 VAL A 3 4.275 -13.601 -2.627 1.00 0.00 C ATOM 43 CG2 VAL A 3 5.711 -14.042 -4.613 1.00 0.00 C ATOM 0 H VAL A 3 6.990 -10.557 -4.136 1.00 0.00 H new ATOM 0 HA VAL A 3 4.327 -11.667 -4.655 1.00 0.00 H new ATOM 0 HB VAL A 3 6.365 -13.059 -2.811 1.00 0.00 H new ATOM 0 HG11 VAL A 3 4.486 -14.604 -2.256 1.00 0.00 H new ATOM 0 HG12 VAL A 3 4.095 -12.933 -1.785 1.00 0.00 H new ATOM 0 HG13 VAL A 3 3.391 -13.628 -3.264 1.00 0.00 H new ATOM 0 HG21 VAL A 3 5.927 -15.042 -4.236 1.00 0.00 H new ATOM 0 HG22 VAL A 3 4.820 -14.075 -5.240 1.00 0.00 H new ATOM 0 HG23 VAL A 3 6.556 -13.686 -5.203 1.00 0.00 H new ATOM 53 N ILE A 4 4.009 -9.782 -2.972 1.00 0.00 N ATOM 54 CA ILE A 4 3.619 -8.894 -1.847 1.00 0.00 C ATOM 55 C ILE A 4 2.355 -8.075 -2.202 1.00 0.00 C ATOM 56 O ILE A 4 2.440 -6.974 -2.702 1.00 0.00 O ATOM 57 CB ILE A 4 4.784 -7.942 -1.565 1.00 0.00 C ATOM 58 CG1 ILE A 4 4.450 -7.058 -0.374 1.00 0.00 C ATOM 59 CG2 ILE A 4 5.023 -7.047 -2.792 1.00 0.00 C ATOM 60 CD1 ILE A 4 5.702 -6.289 0.052 1.00 0.00 C ATOM 0 H ILE A 4 3.614 -9.538 -3.880 1.00 0.00 H new ATOM 0 HA ILE A 4 3.393 -9.499 -0.969 1.00 0.00 H new ATOM 0 HB ILE A 4 5.677 -8.528 -1.350 1.00 0.00 H new ATOM 0 HG12 ILE A 4 3.653 -6.362 -0.635 1.00 0.00 H new ATOM 0 HG13 ILE A 4 4.084 -7.666 0.453 1.00 0.00 H new ATOM 0 HG21 ILE A 4 5.853 -6.369 -2.592 1.00 0.00 H new ATOM 0 HG22 ILE A 4 5.263 -7.669 -3.655 1.00 0.00 H new ATOM 0 HG23 ILE A 4 4.123 -6.468 -3.001 1.00 0.00 H new ATOM 0 HD11 ILE A 4 5.466 -5.654 0.906 1.00 0.00 H new ATOM 0 HD12 ILE A 4 6.485 -6.994 0.330 1.00 0.00 H new ATOM 0 HD13 ILE A 4 6.048 -5.670 -0.776 1.00 0.00 H new ATOM 72 N PRO A 5 1.193 -8.653 -1.931 1.00 0.00 N ATOM 73 CA PRO A 5 -0.088 -7.988 -2.220 1.00 0.00 C ATOM 74 C PRO A 5 -0.307 -6.664 -1.441 1.00 0.00 C ATOM 75 O PRO A 5 -0.791 -5.694 -1.995 1.00 0.00 O ATOM 76 CB PRO A 5 -1.167 -9.018 -1.812 1.00 0.00 C ATOM 77 CG PRO A 5 -0.431 -10.326 -1.385 1.00 0.00 C ATOM 78 CD PRO A 5 1.079 -10.026 -1.393 1.00 0.00 C ATOM 0 HA PRO A 5 -0.122 -7.699 -3.270 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -1.773 -8.634 -0.991 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -1.844 -9.213 -2.644 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -0.754 -10.643 -0.393 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -0.665 -11.140 -2.071 1.00 0.00 H new ATOM 0 HD2 PRO A 5 1.500 -10.093 -0.390 1.00 0.00 H new ATOM 0 HD3 PRO A 5 1.620 -10.740 -2.014 1.00 0.00 H new ATOM 86 N PRO A 6 0.045 -6.655 -0.168 1.00 0.00 N ATOM 87 CA PRO A 6 -0.119 -5.460 0.666 1.00 0.00 C ATOM 88 C PRO A 6 0.856 -4.343 0.281 1.00 0.00 C ATOM 89 O PRO A 6 2.001 -4.594 -0.038 1.00 0.00 O ATOM 90 CB PRO A 6 0.194 -5.939 2.099 1.00 0.00 C ATOM 91 CG PRO A 6 0.624 -7.435 2.004 1.00 0.00 C ATOM 92 CD PRO A 6 0.600 -7.820 0.515 1.00 0.00 C ATOM 0 HA PRO A 6 -1.120 -5.043 0.552 1.00 0.00 H new ATOM 0 HB2 PRO A 6 0.989 -5.338 2.540 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -0.681 -5.830 2.740 1.00 0.00 H new ATOM 0 HG2 PRO A 6 1.621 -7.576 2.422 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -0.054 -8.068 2.576 1.00 0.00 H new ATOM 0 HD2 PRO A 6 1.601 -8.051 0.151 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -0.013 -8.705 0.346 1.00 0.00 H new ATOM 100 N ILE A 7 0.371 -3.125 0.325 1.00 0.00 N ATOM 101 CA ILE A 7 1.239 -1.968 -0.030 1.00 0.00 C ATOM 102 C ILE A 7 0.934 -0.776 0.878 1.00 0.00 C ATOM 103 O ILE A 7 -0.058 -0.777 1.582 1.00 0.00 O ATOM 104 CB ILE A 7 0.943 -1.566 -1.482 1.00 0.00 C ATOM 105 CG1 ILE A 7 1.419 -2.657 -2.445 1.00 0.00 C ATOM 106 CG2 ILE A 7 1.699 -0.265 -1.798 1.00 0.00 C ATOM 107 CD1 ILE A 7 2.932 -2.532 -2.669 1.00 0.00 C ATOM 0 H ILE A 7 -0.585 -2.887 0.591 1.00 0.00 H new ATOM 0 HA ILE A 7 2.284 -2.252 0.092 1.00 0.00 H new ATOM 0 HB ILE A 7 -0.131 -1.428 -1.602 1.00 0.00 H new ATOM 0 HG12 ILE A 7 1.183 -3.641 -2.039 1.00 0.00 H new ATOM 0 HG13 ILE A 7 0.893 -2.570 -3.396 1.00 0.00 H new ATOM 0 HG21 ILE A 7 1.497 0.032 -2.827 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.367 0.522 -1.121 1.00 0.00 H new ATOM 0 HG23 ILE A 7 2.769 -0.426 -1.670 1.00 0.00 H new ATOM 0 HD11 ILE A 7 3.264 -3.311 -3.355 1.00 0.00 H new ATOM 0 HD12 ILE A 7 3.157 -1.554 -3.094 1.00 0.00 H new ATOM 0 HD13 ILE A 7 3.451 -2.642 -1.717 1.00 0.00 H new ATOM 119 N SER A 8 1.798 0.219 0.845 1.00 0.00 N ATOM 120 CA SER A 8 1.578 1.424 1.702 1.00 0.00 C ATOM 121 C SER A 8 1.644 2.705 0.872 1.00 0.00 C ATOM 122 O SER A 8 2.415 2.802 -0.062 1.00 0.00 O ATOM 123 CB SER A 8 2.686 1.469 2.766 1.00 0.00 C ATOM 124 OG SER A 8 2.771 2.841 3.121 1.00 0.00 O ATOM 0 H SER A 8 2.637 0.244 0.265 1.00 0.00 H new ATOM 0 HA SER A 8 0.592 1.357 2.161 1.00 0.00 H new ATOM 0 HB2 SER A 8 2.437 0.849 3.627 1.00 0.00 H new ATOM 0 HB3 SER A 8 3.633 1.100 2.371 1.00 0.00 H new ATOM 0 HG SER A 8 3.462 2.960 3.805 1.00 0.00 H new ATOM 130 N CYS A 9 0.823 3.667 1.230 1.00 0.00 N ATOM 131 CA CYS A 9 0.816 4.953 0.476 1.00 0.00 C ATOM 132 C CYS A 9 0.651 6.159 1.436 1.00 0.00 C ATOM 133 O CYS A 9 -0.367 6.292 2.082 1.00 0.00 O ATOM 134 CB CYS A 9 -0.389 4.928 -0.467 1.00 0.00 C ATOM 135 SG CYS A 9 -1.957 4.355 0.219 1.00 0.00 S ATOM 0 H CYS A 9 0.164 3.613 2.007 1.00 0.00 H new ATOM 0 HA CYS A 9 1.757 5.060 -0.063 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -0.537 5.936 -0.854 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -0.140 4.294 -1.318 1.00 0.00 H new ATOM 0 HG CYS A 9 -1.727 3.546 1.211 1.00 0.00 H new ATOM 141 N PRO A 10 1.661 7.024 1.509 1.00 0.00 N ATOM 142 CA PRO A 10 1.595 8.195 2.389 1.00 0.00 C ATOM 143 C PRO A 10 0.517 9.189 1.934 1.00 0.00 C ATOM 144 O PRO A 10 0.135 9.211 0.773 1.00 0.00 O ATOM 145 CB PRO A 10 2.985 8.857 2.273 1.00 0.00 C ATOM 146 CG PRO A 10 3.798 8.051 1.214 1.00 0.00 C ATOM 147 CD PRO A 10 2.915 6.882 0.751 1.00 0.00 C ATOM 0 HA PRO A 10 1.340 7.904 3.408 1.00 0.00 H new ATOM 0 HB2 PRO A 10 2.889 9.900 1.971 1.00 0.00 H new ATOM 0 HB3 PRO A 10 3.495 8.849 3.236 1.00 0.00 H new ATOM 0 HG2 PRO A 10 4.066 8.687 0.370 1.00 0.00 H new ATOM 0 HG3 PRO A 10 4.729 7.682 1.644 1.00 0.00 H new ATOM 0 HD2 PRO A 10 2.734 6.926 -0.323 1.00 0.00 H new ATOM 0 HD3 PRO A 10 3.392 5.923 0.954 1.00 0.00 H new ATOM 155 N GLU A 11 0.051 9.996 2.865 1.00 0.00 N ATOM 156 CA GLU A 11 -0.998 10.999 2.522 1.00 0.00 C ATOM 157 C GLU A 11 -0.465 12.414 2.656 1.00 0.00 C ATOM 158 O GLU A 11 0.582 12.637 3.231 1.00 0.00 O ATOM 159 CB GLU A 11 -2.187 10.827 3.493 1.00 0.00 C ATOM 160 CG GLU A 11 -1.740 11.144 4.925 1.00 0.00 C ATOM 161 CD GLU A 11 -0.930 9.976 5.469 1.00 0.00 C ATOM 162 OE1 GLU A 11 -1.515 8.912 5.553 1.00 0.00 O ATOM 163 OE2 GLU A 11 0.228 10.213 5.767 1.00 0.00 O ATOM 0 H GLU A 11 0.354 9.999 3.839 1.00 0.00 H new ATOM 0 HA GLU A 11 -1.308 10.837 1.490 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -3.004 11.488 3.203 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -2.568 9.807 3.439 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -1.141 12.054 4.938 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -2.609 11.325 5.558 1.00 0.00 H new ATOM 170 N ASN A 12 -1.195 13.347 2.121 1.00 0.00 N ATOM 171 CA ASN A 12 -0.755 14.757 2.203 1.00 0.00 C ATOM 172 C ASN A 12 0.718 14.902 1.832 1.00 0.00 C ATOM 173 O ASN A 12 1.318 15.933 2.063 1.00 0.00 O ATOM 174 CB ASN A 12 -0.947 15.235 3.652 1.00 0.00 C ATOM 175 CG ASN A 12 -2.358 14.877 4.122 1.00 0.00 C ATOM 176 OD1 ASN A 12 -3.318 14.992 3.385 1.00 0.00 O ATOM 177 ND2 ASN A 12 -2.528 14.437 5.339 1.00 0.00 N ATOM 0 H ASN A 12 -2.076 13.192 1.631 1.00 0.00 H new ATOM 0 HA ASN A 12 -1.344 15.351 1.504 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -0.206 14.769 4.302 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -0.793 16.312 3.715 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -3.462 14.192 5.667 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -1.727 14.338 5.962 1.00 0.00 H new ATOM 184 N GLU A 13 1.275 13.870 1.263 1.00 0.00 N ATOM 185 CA GLU A 13 2.705 13.942 0.877 1.00 0.00 C ATOM 186 C GLU A 13 2.943 15.093 -0.092 1.00 0.00 C ATOM 187 O GLU A 13 2.192 15.283 -1.028 1.00 0.00 O ATOM 188 CB GLU A 13 3.088 12.625 0.187 1.00 0.00 C ATOM 189 CG GLU A 13 4.455 12.166 0.703 1.00 0.00 C ATOM 190 CD GLU A 13 5.509 13.217 0.349 1.00 0.00 C ATOM 191 OE1 GLU A 13 6.058 13.089 -0.733 1.00 0.00 O ATOM 192 OE2 GLU A 13 5.706 14.088 1.181 1.00 0.00 O ATOM 0 H GLU A 13 0.805 12.990 1.052 1.00 0.00 H new ATOM 0 HA GLU A 13 3.309 14.105 1.769 1.00 0.00 H new ATOM 0 HB2 GLU A 13 2.335 11.863 0.388 1.00 0.00 H new ATOM 0 HB3 GLU A 13 3.121 12.763 -0.894 1.00 0.00 H new ATOM 0 HG2 GLU A 13 4.419 12.020 1.783 1.00 0.00 H new ATOM 0 HG3 GLU A 13 4.720 11.206 0.260 1.00 0.00 H new ATOM 199 N LYS A 14 3.983 15.842 0.150 1.00 0.00 N ATOM 200 CA LYS A 14 4.282 16.983 -0.746 1.00 0.00 C ATOM 201 C LYS A 14 5.239 16.566 -1.858 1.00 0.00 C ATOM 202 O LYS A 14 5.881 15.538 -1.774 1.00 0.00 O ATOM 203 CB LYS A 14 4.939 18.094 0.088 1.00 0.00 C ATOM 204 CG LYS A 14 6.287 17.600 0.617 1.00 0.00 C ATOM 205 CD LYS A 14 6.982 18.743 1.361 1.00 0.00 C ATOM 206 CE LYS A 14 6.617 18.671 2.845 1.00 0.00 C ATOM 207 NZ LYS A 14 7.209 17.455 3.472 1.00 0.00 N ATOM 0 H LYS A 14 4.632 15.711 0.926 1.00 0.00 H new ATOM 0 HA LYS A 14 3.355 17.332 -1.201 1.00 0.00 H new ATOM 0 HB2 LYS A 14 5.080 18.987 -0.521 1.00 0.00 H new ATOM 0 HB3 LYS A 14 4.290 18.373 0.918 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.141 16.751 1.285 1.00 0.00 H new ATOM 0 HG3 LYS A 14 6.910 17.254 -0.207 1.00 0.00 H new ATOM 0 HD2 LYS A 14 8.062 18.671 1.236 1.00 0.00 H new ATOM 0 HD3 LYS A 14 6.676 19.703 0.945 1.00 0.00 H new ATOM 0 HE2 LYS A 14 6.977 19.563 3.357 1.00 0.00 H new ATOM 0 HE3 LYS A 14 5.533 18.654 2.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 6.450 16.865 3.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 7.729 16.912 2.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 7.861 17.738 4.231 1.00 0.00 H new ATOM 221 N GLY A 15 5.314 17.378 -2.882 1.00 0.00 N ATOM 222 CA GLY A 15 6.226 17.051 -4.020 1.00 0.00 C ATOM 223 C GLY A 15 5.551 17.388 -5.352 1.00 0.00 C ATOM 224 O GLY A 15 4.368 17.661 -5.400 1.00 0.00 O ATOM 0 H GLY A 15 4.788 18.246 -2.979 1.00 0.00 H new ATOM 0 HA2 GLY A 15 7.156 17.612 -3.923 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.487 15.993 -3.994 1.00 0.00 H new ATOM 228 N GLU A 16 6.317 17.363 -6.407 1.00 0.00 N ATOM 229 CA GLU A 16 5.737 17.677 -7.734 1.00 0.00 C ATOM 230 C GLU A 16 5.051 16.455 -8.325 1.00 0.00 C ATOM 231 O GLU A 16 5.699 15.495 -8.694 1.00 0.00 O ATOM 232 CB GLU A 16 6.873 18.105 -8.674 1.00 0.00 C ATOM 233 CG GLU A 16 7.237 19.564 -8.390 1.00 0.00 C ATOM 234 CD GLU A 16 8.325 20.011 -9.367 1.00 0.00 C ATOM 235 OE1 GLU A 16 8.670 19.193 -10.203 1.00 0.00 O ATOM 236 OE2 GLU A 16 8.750 21.145 -9.221 1.00 0.00 O ATOM 0 H GLU A 16 7.312 17.140 -6.404 1.00 0.00 H new ATOM 0 HA GLU A 16 5.002 18.473 -7.620 1.00 0.00 H new ATOM 0 HB2 GLU A 16 7.743 17.465 -8.527 1.00 0.00 H new ATOM 0 HB3 GLU A 16 6.564 17.990 -9.713 1.00 0.00 H new ATOM 0 HG2 GLU A 16 6.356 20.198 -8.493 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.587 19.671 -7.363 1.00 0.00 H new ATOM 243 N PHE A 17 3.750 16.507 -8.406 1.00 0.00 N ATOM 244 CA PHE A 17 3.013 15.354 -8.971 1.00 0.00 C ATOM 245 C PHE A 17 2.999 15.426 -10.501 1.00 0.00 C ATOM 246 O PHE A 17 3.096 16.495 -11.072 1.00 0.00 O ATOM 247 CB PHE A 17 1.569 15.411 -8.451 1.00 0.00 C ATOM 248 CG PHE A 17 1.548 14.932 -6.998 1.00 0.00 C ATOM 249 CD1 PHE A 17 1.547 13.579 -6.705 1.00 0.00 C ATOM 250 CD2 PHE A 17 1.550 15.845 -5.957 1.00 0.00 C ATOM 251 CE1 PHE A 17 1.550 13.150 -5.395 1.00 0.00 C ATOM 252 CE2 PHE A 17 1.552 15.410 -4.647 1.00 0.00 C ATOM 253 CZ PHE A 17 1.553 14.064 -4.368 1.00 0.00 C ATOM 0 H PHE A 17 3.174 17.294 -8.107 1.00 0.00 H new ATOM 0 HA PHE A 17 3.499 14.425 -8.671 1.00 0.00 H new ATOM 0 HB2 PHE A 17 1.184 16.428 -8.518 1.00 0.00 H new ATOM 0 HB3 PHE A 17 0.922 14.784 -9.064 1.00 0.00 H new ATOM 0 HD1 PHE A 17 1.544 12.856 -7.507 1.00 0.00 H new ATOM 0 HD2 PHE A 17 1.550 16.904 -6.171 1.00 0.00 H new ATOM 0 HE1 PHE A 17 1.550 12.093 -5.175 1.00 0.00 H new ATOM 0 HE2 PHE A 17 1.553 16.128 -3.840 1.00 0.00 H new ATOM 0 HZ PHE A 17 1.556 13.725 -3.343 1.00 0.00 H new ATOM 263 N PRO A 18 2.878 14.277 -11.146 1.00 0.00 N ATOM 264 CA PRO A 18 2.800 12.968 -10.473 1.00 0.00 C ATOM 265 C PRO A 18 4.143 12.549 -9.868 1.00 0.00 C ATOM 266 O PRO A 18 5.174 13.096 -10.204 1.00 0.00 O ATOM 267 CB PRO A 18 2.431 11.975 -11.600 1.00 0.00 C ATOM 268 CG PRO A 18 2.452 12.769 -12.945 1.00 0.00 C ATOM 269 CD PRO A 18 2.763 14.235 -12.604 1.00 0.00 C ATOM 0 HA PRO A 18 2.083 12.997 -9.653 1.00 0.00 H new ATOM 0 HB2 PRO A 18 3.141 11.148 -11.631 1.00 0.00 H new ATOM 0 HB3 PRO A 18 1.446 11.543 -11.424 1.00 0.00 H new ATOM 0 HG2 PRO A 18 3.206 12.363 -13.620 1.00 0.00 H new ATOM 0 HG3 PRO A 18 1.492 12.688 -13.454 1.00 0.00 H new ATOM 0 HD2 PRO A 18 3.687 14.562 -13.081 1.00 0.00 H new ATOM 0 HD3 PRO A 18 1.971 14.897 -12.955 1.00 0.00 H new ATOM 277 N LYS A 19 4.097 11.583 -8.977 1.00 0.00 N ATOM 278 CA LYS A 19 5.357 11.112 -8.335 1.00 0.00 C ATOM 279 C LYS A 19 5.364 9.593 -8.185 1.00 0.00 C ATOM 280 O LYS A 19 4.338 8.982 -7.959 1.00 0.00 O ATOM 281 CB LYS A 19 5.447 11.744 -6.936 1.00 0.00 C ATOM 282 CG LYS A 19 6.782 11.357 -6.294 1.00 0.00 C ATOM 283 CD LYS A 19 6.760 11.758 -4.815 1.00 0.00 C ATOM 284 CE LYS A 19 5.996 10.699 -4.017 1.00 0.00 C ATOM 285 NZ LYS A 19 6.932 9.901 -3.176 1.00 0.00 N ATOM 0 H LYS A 19 3.247 11.108 -8.673 1.00 0.00 H new ATOM 0 HA LYS A 19 6.202 11.402 -8.959 1.00 0.00 H new ATOM 0 HB2 LYS A 19 5.365 12.829 -7.008 1.00 0.00 H new ATOM 0 HB3 LYS A 19 4.619 11.402 -6.315 1.00 0.00 H new ATOM 0 HG2 LYS A 19 6.949 10.284 -6.391 1.00 0.00 H new ATOM 0 HG3 LYS A 19 7.605 11.855 -6.807 1.00 0.00 H new ATOM 0 HD2 LYS A 19 7.778 11.852 -4.436 1.00 0.00 H new ATOM 0 HD3 LYS A 19 6.285 12.732 -4.697 1.00 0.00 H new ATOM 0 HE2 LYS A 19 5.250 11.180 -3.384 1.00 0.00 H new ATOM 0 HE3 LYS A 19 5.458 10.040 -4.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 6.396 9.188 -2.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 7.628 9.426 -3.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 7.426 10.531 -2.513 1.00 0.00 H new ATOM 299 N ASN A 20 6.528 9.013 -8.316 1.00 0.00 N ATOM 300 CA ASN A 20 6.631 7.537 -8.186 1.00 0.00 C ATOM 301 C ASN A 20 6.533 7.108 -6.724 1.00 0.00 C ATOM 302 O ASN A 20 6.882 7.861 -5.835 1.00 0.00 O ATOM 303 CB ASN A 20 7.996 7.100 -8.732 1.00 0.00 C ATOM 304 CG ASN A 20 8.142 7.576 -10.181 1.00 0.00 C ATOM 305 OD1 ASN A 20 7.840 8.809 -10.480 1.00 0.00 O flip ATOM 306 ND2 ASN A 20 8.536 6.826 -11.053 1.00 0.00 N flip ATOM 0 H ASN A 20 7.405 9.498 -8.506 1.00 0.00 H new ATOM 0 HA ASN A 20 5.814 7.075 -8.741 1.00 0.00 H new ATOM 0 HB2 ASN A 20 8.795 7.516 -8.119 1.00 0.00 H new ATOM 0 HB3 ASN A 20 8.089 6.015 -8.683 1.00 0.00 H new ATOM 0 HD21 ASN A 20 8.774 5.860 -10.826 1.00 0.00 H new ATOM 0 HD22 ASN A 20 8.629 7.162 -12.011 1.00 0.00 H new ATOM 313 N LEU A 21 6.056 5.898 -6.506 1.00 0.00 N ATOM 314 CA LEU A 21 5.924 5.392 -5.104 1.00 0.00 C ATOM 315 C LEU A 21 6.672 4.076 -4.926 1.00 0.00 C ATOM 316 O LEU A 21 7.649 4.010 -4.207 1.00 0.00 O ATOM 317 CB LEU A 21 4.435 5.149 -4.809 1.00 0.00 C ATOM 318 CG LEU A 21 3.757 6.479 -4.473 1.00 0.00 C ATOM 319 CD1 LEU A 21 2.287 6.217 -4.130 1.00 0.00 C ATOM 320 CD2 LEU A 21 4.451 7.115 -3.263 1.00 0.00 C ATOM 0 H LEU A 21 5.757 5.249 -7.234 1.00 0.00 H new ATOM 0 HA LEU A 21 6.346 6.132 -4.424 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.953 4.691 -5.672 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.327 4.453 -3.977 1.00 0.00 H new ATOM 0 HG LEU A 21 3.826 7.152 -5.327 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.796 7.160 -3.889 1.00 0.00 H new ATOM 0 HD12 LEU A 21 1.790 5.757 -4.984 1.00 0.00 H new ATOM 0 HD13 LEU A 21 2.227 5.547 -3.272 1.00 0.00 H new ATOM 0 HD21 LEU A 21 3.968 8.062 -3.023 1.00 0.00 H new ATOM 0 HD22 LEU A 21 4.378 6.444 -2.407 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.501 7.292 -3.497 1.00 0.00 H new ATOM 332 N VAL A 22 6.202 3.048 -5.582 1.00 0.00 N ATOM 333 CA VAL A 22 6.882 1.737 -5.451 1.00 0.00 C ATOM 334 C VAL A 22 6.613 0.853 -6.664 1.00 0.00 C ATOM 335 O VAL A 22 5.661 1.062 -7.388 1.00 0.00 O ATOM 336 CB VAL A 22 6.327 1.040 -4.208 1.00 0.00 C ATOM 337 CG1 VAL A 22 4.846 0.727 -4.430 1.00 0.00 C ATOM 338 CG2 VAL A 22 7.092 -0.262 -3.977 1.00 0.00 C ATOM 0 H VAL A 22 5.386 3.063 -6.194 1.00 0.00 H new ATOM 0 HA VAL A 22 7.957 1.900 -5.374 1.00 0.00 H new ATOM 0 HB VAL A 22 6.439 1.688 -3.339 1.00 0.00 H new ATOM 0 HG11 VAL A 22 4.443 0.230 -3.548 1.00 0.00 H new ATOM 0 HG12 VAL A 22 4.300 1.654 -4.605 1.00 0.00 H new ATOM 0 HG13 VAL A 22 4.738 0.074 -5.296 1.00 0.00 H new ATOM 0 HG21 VAL A 22 6.700 -0.762 -3.092 1.00 0.00 H new ATOM 0 HG22 VAL A 22 6.974 -0.912 -4.844 1.00 0.00 H new ATOM 0 HG23 VAL A 22 8.149 -0.042 -3.831 1.00 0.00 H new ATOM 348 N GLN A 23 7.461 -0.124 -6.863 1.00 0.00 N ATOM 349 CA GLN A 23 7.266 -1.028 -8.021 1.00 0.00 C ATOM 350 C GLN A 23 6.304 -2.152 -7.662 1.00 0.00 C ATOM 351 O GLN A 23 6.184 -2.525 -6.512 1.00 0.00 O ATOM 352 CB GLN A 23 8.623 -1.643 -8.405 1.00 0.00 C ATOM 353 CG GLN A 23 9.321 -0.745 -9.430 1.00 0.00 C ATOM 354 CD GLN A 23 10.409 -1.550 -10.146 1.00 0.00 C ATOM 355 OE1 GLN A 23 11.494 -1.741 -9.633 1.00 0.00 O ATOM 356 NE2 GLN A 23 10.160 -2.039 -11.330 1.00 0.00 N ATOM 0 H GLN A 23 8.270 -0.328 -6.277 1.00 0.00 H new ATOM 0 HA GLN A 23 6.853 -0.456 -8.852 1.00 0.00 H new ATOM 0 HB2 GLN A 23 9.247 -1.754 -7.519 1.00 0.00 H new ATOM 0 HB3 GLN A 23 8.478 -2.641 -8.819 1.00 0.00 H new ATOM 0 HG2 GLN A 23 8.598 -0.366 -10.152 1.00 0.00 H new ATOM 0 HG3 GLN A 23 9.759 0.121 -8.934 1.00 0.00 H new ATOM 0 HE21 GLN A 23 9.251 -1.882 -11.766 1.00 0.00 H new ATOM 0 HE22 GLN A 23 10.874 -2.578 -11.820 1.00 0.00 H new ATOM 365 N ILE A 24 5.635 -2.672 -8.654 1.00 0.00 N ATOM 366 CA ILE A 24 4.674 -3.773 -8.389 1.00 0.00 C ATOM 367 C ILE A 24 5.320 -5.142 -8.561 1.00 0.00 C ATOM 368 O ILE A 24 6.405 -5.261 -9.095 1.00 0.00 O ATOM 369 CB ILE A 24 3.512 -3.622 -9.376 1.00 0.00 C ATOM 370 CG1 ILE A 24 2.433 -2.770 -8.737 1.00 0.00 C ATOM 371 CG2 ILE A 24 2.913 -5.007 -9.704 1.00 0.00 C ATOM 372 CD1 ILE A 24 1.469 -2.284 -9.811 1.00 0.00 C ATOM 0 H ILE A 24 5.713 -2.383 -9.629 1.00 0.00 H new ATOM 0 HA ILE A 24 4.329 -3.708 -7.357 1.00 0.00 H new ATOM 0 HB ILE A 24 3.878 -3.157 -10.291 1.00 0.00 H new ATOM 0 HG12 ILE A 24 1.896 -3.348 -7.985 1.00 0.00 H new ATOM 0 HG13 ILE A 24 2.882 -1.919 -8.224 1.00 0.00 H new ATOM 0 HG21 ILE A 24 2.088 -4.889 -10.406 1.00 0.00 H new ATOM 0 HG22 ILE A 24 3.681 -5.639 -10.149 1.00 0.00 H new ATOM 0 HG23 ILE A 24 2.547 -5.471 -8.788 1.00 0.00 H new ATOM 0 HD11 ILE A 24 0.693 -1.671 -9.353 1.00 0.00 H new ATOM 0 HD12 ILE A 24 2.013 -1.691 -10.546 1.00 0.00 H new ATOM 0 HD13 ILE A 24 1.011 -3.142 -10.304 1.00 0.00 H new ATOM 384 N LYS A 25 4.625 -6.154 -8.097 1.00 0.00 N ATOM 385 CA LYS A 25 5.156 -7.534 -8.208 1.00 0.00 C ATOM 386 C LYS A 25 4.044 -8.514 -8.591 1.00 0.00 C ATOM 387 O LYS A 25 3.021 -8.576 -7.937 1.00 0.00 O ATOM 388 CB LYS A 25 5.708 -7.963 -6.836 1.00 0.00 C ATOM 389 CG LYS A 25 6.440 -6.793 -6.161 1.00 0.00 C ATOM 390 CD LYS A 25 7.839 -6.655 -6.759 1.00 0.00 C ATOM 391 CE LYS A 25 8.437 -5.312 -6.338 1.00 0.00 C ATOM 392 NZ LYS A 25 8.594 -4.423 -7.516 1.00 0.00 N ATOM 0 H LYS A 25 3.713 -6.075 -7.647 1.00 0.00 H new ATOM 0 HA LYS A 25 5.932 -7.547 -8.973 1.00 0.00 H new ATOM 0 HB2 LYS A 25 4.892 -8.305 -6.200 1.00 0.00 H new ATOM 0 HB3 LYS A 25 6.390 -8.804 -6.959 1.00 0.00 H new ATOM 0 HG2 LYS A 25 5.879 -5.869 -6.303 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.507 -6.963 -5.087 1.00 0.00 H new ATOM 0 HD2 LYS A 25 8.475 -7.472 -6.419 1.00 0.00 H new ATOM 0 HD3 LYS A 25 7.791 -6.720 -7.846 1.00 0.00 H new ATOM 0 HE2 LYS A 25 7.793 -4.836 -5.599 1.00 0.00 H new ATOM 0 HE3 LYS A 25 9.405 -5.471 -5.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 8.501 -3.431 -7.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 9.532 -4.570 -7.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 7.859 -4.644 -8.218 1.00 0.00 H new ATOM 406 N SER A 26 4.266 -9.263 -9.647 1.00 0.00 N ATOM 407 CA SER A 26 3.233 -10.247 -10.086 1.00 0.00 C ATOM 408 C SER A 26 3.604 -11.651 -9.630 1.00 0.00 C ATOM 409 O SER A 26 3.648 -11.933 -8.449 1.00 0.00 O ATOM 410 CB SER A 26 3.161 -10.228 -11.624 1.00 0.00 C ATOM 411 OG SER A 26 2.374 -11.365 -11.950 1.00 0.00 O ATOM 0 H SER A 26 5.111 -9.234 -10.217 1.00 0.00 H new ATOM 0 HA SER A 26 2.272 -9.976 -9.648 1.00 0.00 H new ATOM 0 HB2 SER A 26 2.704 -9.309 -11.990 1.00 0.00 H new ATOM 0 HB3 SER A 26 4.154 -10.290 -12.070 1.00 0.00 H new ATOM 0 HG SER A 26 2.277 -11.427 -12.923 1.00 0.00 H new ATOM 417 N ASN A 27 3.867 -12.505 -10.572 1.00 0.00 N ATOM 418 CA ASN A 27 4.237 -13.890 -10.213 1.00 0.00 C ATOM 419 C ASN A 27 4.760 -14.626 -11.432 1.00 0.00 C ATOM 420 O ASN A 27 5.838 -15.182 -11.412 1.00 0.00 O ATOM 421 CB ASN A 27 2.981 -14.612 -9.694 1.00 0.00 C ATOM 422 CG ASN A 27 1.969 -14.757 -10.835 1.00 0.00 C ATOM 423 OD1 ASN A 27 1.613 -15.955 -11.219 1.00 0.00 O flip ATOM 424 ND2 ASN A 27 1.492 -13.785 -11.386 1.00 0.00 N flip ATOM 0 H ASN A 27 3.841 -12.303 -11.571 1.00 0.00 H new ATOM 0 HA ASN A 27 5.014 -13.872 -9.449 1.00 0.00 H new ATOM 0 HB2 ASN A 27 3.248 -15.594 -9.303 1.00 0.00 H new ATOM 0 HB3 ASN A 27 2.539 -14.050 -8.871 1.00 0.00 H new ATOM 0 HD21 ASN A 27 1.765 -12.847 -11.092 1.00 0.00 H new ATOM 0 HD22 ASN A 27 0.819 -13.907 -12.143 1.00 0.00 H new ATOM 431 N ARG A 28 3.989 -14.607 -12.477 1.00 0.00 N ATOM 432 CA ARG A 28 4.424 -15.302 -13.713 1.00 0.00 C ATOM 433 C ARG A 28 5.670 -14.634 -14.286 1.00 0.00 C ATOM 434 O ARG A 28 6.204 -15.055 -15.297 1.00 0.00 O ATOM 435 CB ARG A 28 3.287 -15.215 -14.745 1.00 0.00 C ATOM 436 CG ARG A 28 2.065 -15.967 -14.208 1.00 0.00 C ATOM 437 CD ARG A 28 1.448 -16.797 -15.337 1.00 0.00 C ATOM 438 NE ARG A 28 0.441 -17.730 -14.757 1.00 0.00 N ATOM 439 CZ ARG A 28 -0.657 -17.981 -15.418 1.00 0.00 C ATOM 440 NH1 ARG A 28 -0.573 -18.337 -16.671 1.00 0.00 N ATOM 441 NH2 ARG A 28 -1.802 -17.866 -14.804 1.00 0.00 N ATOM 0 H ARG A 28 3.082 -14.143 -12.529 1.00 0.00 H new ATOM 0 HA ARG A 28 4.657 -16.342 -13.483 1.00 0.00 H new ATOM 0 HB2 ARG A 28 3.033 -14.173 -14.937 1.00 0.00 H new ATOM 0 HB3 ARG A 28 3.607 -15.646 -15.694 1.00 0.00 H new ATOM 0 HG2 ARG A 28 2.356 -16.615 -13.381 1.00 0.00 H new ATOM 0 HG3 ARG A 28 1.332 -15.262 -13.817 1.00 0.00 H new ATOM 0 HD2 ARG A 28 0.977 -16.143 -16.071 1.00 0.00 H new ATOM 0 HD3 ARG A 28 2.223 -17.357 -15.860 1.00 0.00 H new ATOM 0 HE ARG A 28 0.608 -18.169 -13.851 1.00 0.00 H new ATOM 0 HH11 ARG A 28 0.340 -18.415 -17.119 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -1.420 -18.537 -17.202 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -1.829 -17.584 -13.824 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -2.670 -18.058 -15.304 1.00 0.00 H new ATOM 455 N ASP A 29 6.117 -13.606 -13.619 1.00 0.00 N ATOM 456 CA ASP A 29 7.324 -12.890 -14.100 1.00 0.00 C ATOM 457 C ASP A 29 8.555 -13.777 -14.005 1.00 0.00 C ATOM 458 O ASP A 29 9.670 -13.291 -14.008 1.00 0.00 O ATOM 459 CB ASP A 29 7.537 -11.655 -13.210 1.00 0.00 C ATOM 460 CG ASP A 29 8.246 -12.077 -11.921 1.00 0.00 C ATOM 461 OD1 ASP A 29 7.543 -12.562 -11.050 1.00 0.00 O ATOM 462 OD2 ASP A 29 9.451 -11.890 -11.881 1.00 0.00 O ATOM 0 H ASP A 29 5.699 -13.235 -12.766 1.00 0.00 H new ATOM 0 HA ASP A 29 7.179 -12.607 -15.142 1.00 0.00 H new ATOM 0 HB2 ASP A 29 8.132 -10.910 -13.738 1.00 0.00 H new ATOM 0 HB3 ASP A 29 6.579 -11.191 -12.976 1.00 0.00 H new ATOM 467 N LYS A 30 8.327 -15.066 -13.928 1.00 0.00 N ATOM 468 CA LYS A 30 9.465 -16.016 -13.830 1.00 0.00 C ATOM 469 C LYS A 30 9.575 -16.887 -15.079 1.00 0.00 C ATOM 470 O LYS A 30 10.532 -17.621 -15.230 1.00 0.00 O ATOM 471 CB LYS A 30 9.215 -16.930 -12.621 1.00 0.00 C ATOM 472 CG LYS A 30 9.593 -16.184 -11.339 1.00 0.00 C ATOM 473 CD LYS A 30 11.070 -16.435 -11.029 1.00 0.00 C ATOM 474 CE LYS A 30 11.376 -15.950 -9.611 1.00 0.00 C ATOM 475 NZ LYS A 30 12.177 -16.968 -8.876 1.00 0.00 N ATOM 0 H LYS A 30 7.402 -15.495 -13.929 1.00 0.00 H new ATOM 0 HA LYS A 30 10.390 -15.448 -13.725 1.00 0.00 H new ATOM 0 HB2 LYS A 30 8.167 -17.229 -12.587 1.00 0.00 H new ATOM 0 HB3 LYS A 30 9.804 -17.843 -12.712 1.00 0.00 H new ATOM 0 HG2 LYS A 30 9.410 -15.116 -11.458 1.00 0.00 H new ATOM 0 HG3 LYS A 30 8.972 -16.523 -10.510 1.00 0.00 H new ATOM 0 HD2 LYS A 30 11.298 -17.497 -11.120 1.00 0.00 H new ATOM 0 HD3 LYS A 30 11.699 -15.911 -11.749 1.00 0.00 H new ATOM 0 HE2 LYS A 30 11.923 -15.008 -9.652 1.00 0.00 H new ATOM 0 HE3 LYS A 30 10.446 -15.756 -9.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 12.377 -16.625 -7.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 11.641 -17.858 -8.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 13.073 -17.133 -9.378 1.00 0.00 H new ATOM 489 N GLU A 31 8.591 -16.791 -15.959 1.00 0.00 N ATOM 490 CA GLU A 31 8.639 -17.622 -17.209 1.00 0.00 C ATOM 491 C GLU A 31 8.819 -16.759 -18.452 1.00 0.00 C ATOM 492 O GLU A 31 9.430 -17.181 -19.415 1.00 0.00 O ATOM 493 CB GLU A 31 7.313 -18.401 -17.339 1.00 0.00 C ATOM 494 CG GLU A 31 6.130 -17.432 -17.274 1.00 0.00 C ATOM 495 CD GLU A 31 4.894 -18.099 -17.883 1.00 0.00 C ATOM 496 OE1 GLU A 31 5.042 -19.236 -18.301 1.00 0.00 O ATOM 497 OE2 GLU A 31 3.871 -17.435 -17.894 1.00 0.00 O ATOM 0 H GLU A 31 7.776 -16.185 -15.865 1.00 0.00 H new ATOM 0 HA GLU A 31 9.490 -18.299 -17.135 1.00 0.00 H new ATOM 0 HB2 GLU A 31 7.294 -18.949 -18.281 1.00 0.00 H new ATOM 0 HB3 GLU A 31 7.235 -19.138 -16.540 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.933 -17.150 -16.240 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.366 -16.515 -17.815 1.00 0.00 H new ATOM 504 N THR A 32 8.291 -15.569 -18.420 1.00 0.00 N ATOM 505 CA THR A 32 8.435 -14.689 -19.603 1.00 0.00 C ATOM 506 C THR A 32 8.189 -13.230 -19.244 1.00 0.00 C ATOM 507 O THR A 32 7.464 -12.933 -18.316 1.00 0.00 O ATOM 508 CB THR A 32 7.384 -15.122 -20.633 1.00 0.00 C ATOM 509 OG1 THR A 32 7.866 -14.660 -21.879 1.00 0.00 O ATOM 510 CG2 THR A 32 6.067 -14.361 -20.421 1.00 0.00 C ATOM 0 H THR A 32 7.773 -15.174 -17.635 1.00 0.00 H new ATOM 0 HA THR A 32 9.449 -14.777 -19.993 1.00 0.00 H new ATOM 0 HB THR A 32 7.220 -16.197 -20.563 1.00 0.00 H new ATOM 0 HG1 THR A 32 7.698 -15.338 -22.567 1.00 0.00 H new ATOM 0 HG21 THR A 32 5.337 -14.684 -21.163 1.00 0.00 H new ATOM 0 HG22 THR A 32 5.685 -14.567 -19.421 1.00 0.00 H new ATOM 0 HG23 THR A 32 6.244 -13.291 -20.528 1.00 0.00 H new ATOM 518 N LYS A 33 8.801 -12.338 -19.987 1.00 0.00 N ATOM 519 CA LYS A 33 8.600 -10.899 -19.690 1.00 0.00 C ATOM 520 C LYS A 33 7.119 -10.637 -19.506 1.00 0.00 C ATOM 521 O LYS A 33 6.323 -11.007 -20.347 1.00 0.00 O ATOM 522 CB LYS A 33 9.111 -10.074 -20.882 1.00 0.00 C ATOM 523 CG LYS A 33 9.495 -8.674 -20.396 1.00 0.00 C ATOM 524 CD LYS A 33 10.014 -7.856 -21.580 1.00 0.00 C ATOM 525 CE LYS A 33 10.840 -6.679 -21.054 1.00 0.00 C ATOM 526 NZ LYS A 33 12.260 -7.085 -20.857 1.00 0.00 N ATOM 0 H LYS A 33 9.419 -12.546 -20.771 1.00 0.00 H new ATOM 0 HA LYS A 33 9.140 -10.623 -18.784 1.00 0.00 H new ATOM 0 HB2 LYS A 33 9.973 -10.564 -21.336 1.00 0.00 H new ATOM 0 HB3 LYS A 33 8.341 -10.007 -21.650 1.00 0.00 H new ATOM 0 HG2 LYS A 33 8.631 -8.182 -19.949 1.00 0.00 H new ATOM 0 HG3 LYS A 33 10.260 -8.742 -19.622 1.00 0.00 H new ATOM 0 HD2 LYS A 33 10.624 -8.482 -22.231 1.00 0.00 H new ATOM 0 HD3 LYS A 33 9.180 -7.491 -22.179 1.00 0.00 H new ATOM 0 HE2 LYS A 33 10.787 -5.847 -21.757 1.00 0.00 H new ATOM 0 HE3 LYS A 33 10.422 -6.326 -20.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 12.806 -6.275 -20.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 12.306 -7.864 -20.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 12.660 -7.400 -21.764 1.00 0.00 H new ATOM 540 N VAL A 34 6.769 -10.000 -18.413 1.00 0.00 N ATOM 541 CA VAL A 34 5.330 -9.713 -18.163 1.00 0.00 C ATOM 542 C VAL A 34 5.054 -8.233 -17.922 1.00 0.00 C ATOM 543 O VAL A 34 5.729 -7.577 -17.156 1.00 0.00 O ATOM 544 CB VAL A 34 4.910 -10.509 -16.920 1.00 0.00 C ATOM 545 CG1 VAL A 34 5.865 -10.196 -15.773 1.00 0.00 C ATOM 546 CG2 VAL A 34 3.497 -10.115 -16.519 1.00 0.00 C ATOM 0 H VAL A 34 7.413 -9.672 -17.694 1.00 0.00 H new ATOM 0 HA VAL A 34 4.763 -10.000 -19.049 1.00 0.00 H new ATOM 0 HB VAL A 34 4.942 -11.575 -17.143 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.569 -10.760 -14.889 1.00 0.00 H new ATOM 0 HG12 VAL A 34 6.880 -10.474 -16.058 1.00 0.00 H new ATOM 0 HG13 VAL A 34 5.830 -9.129 -15.551 1.00 0.00 H new ATOM 0 HG21 VAL A 34 3.198 -10.680 -15.636 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.466 -9.049 -16.295 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.812 -10.333 -17.338 1.00 0.00 H new ATOM 556 N PHE A 35 4.044 -7.745 -18.603 1.00 0.00 N ATOM 557 CA PHE A 35 3.652 -6.318 -18.471 1.00 0.00 C ATOM 558 C PHE A 35 2.476 -6.223 -17.506 1.00 0.00 C ATOM 559 O PHE A 35 1.783 -7.206 -17.303 1.00 0.00 O ATOM 560 CB PHE A 35 3.207 -5.806 -19.853 1.00 0.00 C ATOM 561 CG PHE A 35 4.439 -5.454 -20.709 1.00 0.00 C ATOM 562 CD1 PHE A 35 5.684 -5.995 -20.423 1.00 0.00 C ATOM 563 CD2 PHE A 35 4.316 -4.598 -21.793 1.00 0.00 C ATOM 564 CE1 PHE A 35 6.777 -5.687 -21.207 1.00 0.00 C ATOM 565 CE2 PHE A 35 5.414 -4.293 -22.573 1.00 0.00 C ATOM 566 CZ PHE A 35 6.642 -4.837 -22.279 1.00 0.00 C ATOM 0 H PHE A 35 3.472 -8.287 -19.251 1.00 0.00 H new ATOM 0 HA PHE A 35 4.488 -5.725 -18.100 1.00 0.00 H new ATOM 0 HB2 PHE A 35 2.610 -6.567 -20.356 1.00 0.00 H new ATOM 0 HB3 PHE A 35 2.572 -4.928 -19.737 1.00 0.00 H new ATOM 0 HD1 PHE A 35 5.799 -6.662 -19.581 1.00 0.00 H new ATOM 0 HD2 PHE A 35 3.354 -4.167 -22.029 1.00 0.00 H new ATOM 0 HE1 PHE A 35 7.742 -6.115 -20.978 1.00 0.00 H new ATOM 0 HE2 PHE A 35 5.308 -3.626 -23.416 1.00 0.00 H new ATOM 0 HZ PHE A 35 7.500 -4.597 -22.890 1.00 0.00 H new ATOM 576 N TYR A 36 2.243 -5.043 -16.949 1.00 0.00 N ATOM 577 CA TYR A 36 1.096 -4.904 -15.983 1.00 0.00 C ATOM 578 C TYR A 36 -0.062 -4.058 -16.514 1.00 0.00 C ATOM 579 O TYR A 36 0.036 -3.404 -17.533 1.00 0.00 O ATOM 580 CB TYR A 36 1.631 -4.221 -14.719 1.00 0.00 C ATOM 581 CG TYR A 36 2.379 -5.247 -13.872 1.00 0.00 C ATOM 582 CD1 TYR A 36 3.668 -5.609 -14.195 1.00 0.00 C ATOM 583 CD2 TYR A 36 1.778 -5.821 -12.770 1.00 0.00 C ATOM 584 CE1 TYR A 36 4.346 -6.528 -13.431 1.00 0.00 C ATOM 585 CE2 TYR A 36 2.459 -6.742 -12.005 1.00 0.00 C ATOM 586 CZ TYR A 36 3.749 -7.101 -12.329 1.00 0.00 C ATOM 587 OH TYR A 36 4.437 -8.004 -11.553 1.00 0.00 O ATOM 0 H TYR A 36 2.783 -4.195 -17.118 1.00 0.00 H new ATOM 0 HA TYR A 36 0.706 -5.905 -15.802 1.00 0.00 H new ATOM 0 HB2 TYR A 36 2.296 -3.400 -14.988 1.00 0.00 H new ATOM 0 HB3 TYR A 36 0.808 -3.791 -14.148 1.00 0.00 H new ATOM 0 HD1 TYR A 36 4.149 -5.167 -15.055 1.00 0.00 H new ATOM 0 HD2 TYR A 36 0.767 -5.546 -12.506 1.00 0.00 H new ATOM 0 HE1 TYR A 36 5.356 -6.804 -13.697 1.00 0.00 H new ATOM 0 HE2 TYR A 36 1.979 -7.186 -11.146 1.00 0.00 H new ATOM 0 HH TYR A 36 5.380 -8.012 -11.819 1.00 0.00 H new ATOM 597 N SER A 37 -1.148 -4.106 -15.771 1.00 0.00 N ATOM 598 CA SER A 37 -2.369 -3.342 -16.136 1.00 0.00 C ATOM 599 C SER A 37 -3.145 -3.011 -14.857 1.00 0.00 C ATOM 600 O SER A 37 -3.023 -3.716 -13.871 1.00 0.00 O ATOM 601 CB SER A 37 -3.248 -4.215 -17.047 1.00 0.00 C ATOM 602 OG SER A 37 -3.265 -3.518 -18.285 1.00 0.00 O ATOM 0 H SER A 37 -1.231 -4.654 -14.915 1.00 0.00 H new ATOM 0 HA SER A 37 -2.097 -2.423 -16.654 1.00 0.00 H new ATOM 0 HB2 SER A 37 -2.834 -5.217 -17.159 1.00 0.00 H new ATOM 0 HB3 SER A 37 -4.253 -4.330 -16.640 1.00 0.00 H new ATOM 0 HG SER A 37 -3.809 -4.014 -18.932 1.00 0.00 H new ATOM 608 N ILE A 38 -3.936 -1.956 -14.890 1.00 0.00 N ATOM 609 CA ILE A 38 -4.718 -1.583 -13.661 1.00 0.00 C ATOM 610 C ILE A 38 -6.154 -1.179 -13.964 1.00 0.00 C ATOM 611 O ILE A 38 -6.461 -0.669 -15.023 1.00 0.00 O ATOM 612 CB ILE A 38 -4.008 -0.393 -12.988 1.00 0.00 C ATOM 613 CG1 ILE A 38 -5.026 0.519 -12.287 1.00 0.00 C ATOM 614 CG2 ILE A 38 -3.272 0.422 -14.071 1.00 0.00 C ATOM 615 CD1 ILE A 38 -4.287 1.592 -11.484 1.00 0.00 C ATOM 0 H ILE A 38 -4.072 -1.349 -15.698 1.00 0.00 H new ATOM 0 HA ILE A 38 -4.760 -2.461 -13.017 1.00 0.00 H new ATOM 0 HB ILE A 38 -3.306 -0.773 -12.246 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -5.678 0.987 -13.024 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -5.663 -0.070 -11.627 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -2.765 1.268 -13.608 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -2.539 -0.213 -14.568 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -3.992 0.787 -14.803 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -5.011 2.238 -10.987 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -3.653 1.115 -10.736 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -3.669 2.188 -12.156 1.00 0.00 H new ATOM 627 N THR A 39 -7.008 -1.427 -13.000 1.00 0.00 N ATOM 628 CA THR A 39 -8.438 -1.079 -13.164 1.00 0.00 C ATOM 629 C THR A 39 -9.123 -1.001 -11.797 1.00 0.00 C ATOM 630 O THR A 39 -8.860 -1.817 -10.928 1.00 0.00 O ATOM 631 CB THR A 39 -9.111 -2.177 -13.995 1.00 0.00 C ATOM 632 OG1 THR A 39 -10.399 -1.679 -14.296 1.00 0.00 O ATOM 633 CG2 THR A 39 -9.368 -3.427 -13.143 1.00 0.00 C ATOM 0 H THR A 39 -6.767 -1.857 -12.107 1.00 0.00 H new ATOM 0 HA THR A 39 -8.523 -0.112 -13.660 1.00 0.00 H new ATOM 0 HB THR A 39 -8.489 -2.424 -14.855 1.00 0.00 H new ATOM 0 HG1 THR A 39 -10.387 -0.700 -14.264 1.00 0.00 H new ATOM 0 HG21 THR A 39 -9.846 -4.192 -13.755 1.00 0.00 H new ATOM 0 HG22 THR A 39 -8.421 -3.808 -12.761 1.00 0.00 H new ATOM 0 HG23 THR A 39 -10.020 -3.170 -12.308 1.00 0.00 H new ATOM 641 N GLY A 40 -9.971 -0.004 -11.619 1.00 0.00 N ATOM 642 CA GLY A 40 -10.685 0.135 -10.302 1.00 0.00 C ATOM 643 C GLY A 40 -10.579 1.563 -9.735 1.00 0.00 C ATOM 644 O GLY A 40 -10.017 2.460 -10.355 1.00 0.00 O ATOM 0 H GLY A 40 -10.195 0.706 -12.316 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -11.735 -0.127 -10.430 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -10.265 -0.571 -9.586 1.00 0.00 H new ATOM 648 N GLN A 41 -11.135 1.735 -8.558 1.00 0.00 N ATOM 649 CA GLN A 41 -11.099 3.066 -7.908 1.00 0.00 C ATOM 650 C GLN A 41 -9.693 3.623 -7.906 1.00 0.00 C ATOM 651 O GLN A 41 -8.737 2.898 -7.710 1.00 0.00 O ATOM 652 CB GLN A 41 -11.567 2.908 -6.453 1.00 0.00 C ATOM 653 CG GLN A 41 -11.190 1.514 -5.958 1.00 0.00 C ATOM 654 CD GLN A 41 -11.244 1.487 -4.431 1.00 0.00 C ATOM 655 OE1 GLN A 41 -10.542 2.218 -3.760 1.00 0.00 O ATOM 656 NE2 GLN A 41 -12.062 0.660 -3.841 1.00 0.00 N ATOM 0 H GLN A 41 -11.610 1.005 -8.027 1.00 0.00 H new ATOM 0 HA GLN A 41 -11.747 3.749 -8.458 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -11.104 3.669 -5.824 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -12.645 3.052 -6.387 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -11.874 0.772 -6.370 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -10.190 1.252 -6.302 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -12.654 0.044 -4.398 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -12.110 0.630 -2.823 1.00 0.00 H new ATOM 665 N GLY A 42 -9.586 4.900 -8.129 1.00 0.00 N ATOM 666 CA GLY A 42 -8.237 5.524 -8.143 1.00 0.00 C ATOM 667 C GLY A 42 -7.718 5.627 -9.576 1.00 0.00 C ATOM 668 O GLY A 42 -6.864 6.450 -9.873 1.00 0.00 O ATOM 0 H GLY A 42 -10.366 5.534 -8.301 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -8.282 6.516 -7.693 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -7.548 4.932 -7.541 1.00 0.00 H new ATOM 672 N ALA A 43 -8.247 4.781 -10.440 1.00 0.00 N ATOM 673 CA ALA A 43 -7.806 4.803 -11.861 1.00 0.00 C ATOM 674 C ALA A 43 -8.964 5.173 -12.781 1.00 0.00 C ATOM 675 O ALA A 43 -9.059 6.298 -13.243 1.00 0.00 O ATOM 676 CB ALA A 43 -7.305 3.395 -12.231 1.00 0.00 C ATOM 0 H ALA A 43 -8.959 4.086 -10.215 1.00 0.00 H new ATOM 0 HA ALA A 43 -7.017 5.545 -11.981 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -6.976 3.387 -13.270 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -6.471 3.124 -11.584 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -8.113 2.675 -12.101 1.00 0.00 H new ATOM 682 N ASP A 44 -9.829 4.223 -13.021 1.00 0.00 N ATOM 683 CA ASP A 44 -10.988 4.493 -13.907 1.00 0.00 C ATOM 684 C ASP A 44 -12.229 4.834 -13.094 1.00 0.00 C ATOM 685 O ASP A 44 -13.095 5.550 -13.559 1.00 0.00 O ATOM 686 CB ASP A 44 -11.272 3.221 -14.725 1.00 0.00 C ATOM 687 CG ASP A 44 -11.171 1.997 -13.809 1.00 0.00 C ATOM 688 OD1 ASP A 44 -11.840 2.027 -12.789 1.00 0.00 O ATOM 689 OD2 ASP A 44 -10.432 1.099 -14.180 1.00 0.00 O ATOM 0 H ASP A 44 -9.780 3.277 -12.642 1.00 0.00 H new ATOM 0 HA ASP A 44 -10.752 5.339 -14.553 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -12.265 3.275 -15.170 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -10.559 3.136 -15.545 1.00 0.00 H new ATOM 694 N LYS A 45 -12.291 4.315 -11.891 1.00 0.00 N ATOM 695 CA LYS A 45 -13.468 4.596 -11.029 1.00 0.00 C ATOM 696 C LYS A 45 -13.127 5.652 -9.959 1.00 0.00 C ATOM 697 O LYS A 45 -11.988 5.780 -9.544 1.00 0.00 O ATOM 698 CB LYS A 45 -13.870 3.281 -10.339 1.00 0.00 C ATOM 699 CG LYS A 45 -14.524 2.359 -11.371 1.00 0.00 C ATOM 700 CD LYS A 45 -16.029 2.619 -11.396 1.00 0.00 C ATOM 701 CE LYS A 45 -16.708 1.554 -12.260 1.00 0.00 C ATOM 702 NZ LYS A 45 -15.802 1.126 -13.365 1.00 0.00 N ATOM 0 H LYS A 45 -11.579 3.713 -11.476 1.00 0.00 H new ATOM 0 HA LYS A 45 -14.283 4.985 -11.639 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -12.993 2.800 -9.905 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -14.561 3.481 -9.520 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -14.096 2.537 -12.358 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -14.327 1.316 -11.121 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -16.432 2.594 -10.383 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -16.232 3.613 -11.795 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -16.974 0.694 -11.646 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -17.635 1.950 -12.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -16.346 0.592 -14.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -15.381 1.965 -13.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -15.047 0.523 -12.981 1.00 0.00 H new ATOM 716 N PRO A 46 -14.134 6.405 -9.545 1.00 0.00 N ATOM 717 CA PRO A 46 -13.951 7.447 -8.534 1.00 0.00 C ATOM 718 C PRO A 46 -13.300 6.887 -7.248 1.00 0.00 C ATOM 719 O PRO A 46 -13.724 5.867 -6.741 1.00 0.00 O ATOM 720 CB PRO A 46 -15.381 7.933 -8.211 1.00 0.00 C ATOM 721 CG PRO A 46 -16.358 7.166 -9.154 1.00 0.00 C ATOM 722 CD PRO A 46 -15.506 6.254 -10.047 1.00 0.00 C ATOM 0 HA PRO A 46 -13.295 8.238 -8.898 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -15.625 7.740 -7.166 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -15.465 9.009 -8.365 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -17.071 6.580 -8.574 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -16.937 7.864 -9.759 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -15.838 5.218 -9.983 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -15.578 6.548 -11.094 1.00 0.00 H new ATOM 730 N PRO A 47 -12.270 7.570 -6.736 1.00 0.00 N ATOM 731 CA PRO A 47 -11.692 8.779 -7.351 1.00 0.00 C ATOM 732 C PRO A 47 -10.998 8.450 -8.675 1.00 0.00 C ATOM 733 O PRO A 47 -10.077 7.662 -8.716 1.00 0.00 O ATOM 734 CB PRO A 47 -10.639 9.271 -6.332 1.00 0.00 C ATOM 735 CG PRO A 47 -10.567 8.215 -5.189 1.00 0.00 C ATOM 736 CD PRO A 47 -11.646 7.156 -5.477 1.00 0.00 C ATOM 0 HA PRO A 47 -12.460 9.520 -7.570 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -9.666 9.386 -6.810 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -10.916 10.248 -5.935 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -9.579 7.757 -5.151 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -10.738 8.685 -4.220 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -11.208 6.162 -5.564 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -12.379 7.112 -4.671 1.00 0.00 H new ATOM 744 N VAL A 48 -11.456 9.062 -9.730 1.00 0.00 N ATOM 745 CA VAL A 48 -10.838 8.796 -11.050 1.00 0.00 C ATOM 746 C VAL A 48 -9.556 9.594 -11.237 1.00 0.00 C ATOM 747 O VAL A 48 -9.458 10.730 -10.814 1.00 0.00 O ATOM 748 CB VAL A 48 -11.838 9.204 -12.143 1.00 0.00 C ATOM 749 CG1 VAL A 48 -12.241 10.667 -11.940 1.00 0.00 C ATOM 750 CG2 VAL A 48 -11.176 9.050 -13.512 1.00 0.00 C ATOM 0 H VAL A 48 -12.227 9.730 -9.733 1.00 0.00 H new ATOM 0 HA VAL A 48 -10.592 7.736 -11.112 1.00 0.00 H new ATOM 0 HB VAL A 48 -12.722 8.569 -12.087 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -12.951 10.960 -12.714 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -12.704 10.784 -10.960 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -11.356 11.300 -12.001 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -11.881 9.338 -14.292 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -10.295 9.690 -13.564 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -10.879 8.012 -13.658 1.00 0.00 H new ATOM 760 N GLY A 49 -8.593 8.980 -11.867 1.00 0.00 N ATOM 761 CA GLY A 49 -7.296 9.681 -12.101 1.00 0.00 C ATOM 762 C GLY A 49 -6.569 9.982 -10.785 1.00 0.00 C ATOM 763 O GLY A 49 -6.586 11.099 -10.306 1.00 0.00 O ATOM 0 H GLY A 49 -8.646 8.028 -12.229 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -6.659 9.065 -12.736 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -7.477 10.612 -12.638 1.00 0.00 H new ATOM 767 N VAL A 50 -5.946 8.977 -10.229 1.00 0.00 N ATOM 768 CA VAL A 50 -5.212 9.182 -8.953 1.00 0.00 C ATOM 769 C VAL A 50 -3.952 8.326 -8.936 1.00 0.00 C ATOM 770 O VAL A 50 -2.909 8.768 -8.475 1.00 0.00 O ATOM 771 CB VAL A 50 -6.121 8.783 -7.783 1.00 0.00 C ATOM 772 CG1 VAL A 50 -5.300 8.764 -6.490 1.00 0.00 C ATOM 773 CG2 VAL A 50 -7.239 9.813 -7.650 1.00 0.00 C ATOM 0 H VAL A 50 -5.915 8.029 -10.603 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.929 10.231 -8.860 1.00 0.00 H new ATOM 0 HB VAL A 50 -6.545 7.795 -7.964 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -5.942 8.481 -5.656 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -4.489 8.042 -6.585 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -4.885 9.755 -6.308 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -7.891 9.538 -6.821 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -6.808 10.796 -7.462 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -7.819 9.842 -8.573 1.00 0.00 H new ATOM 783 N PHE A 51 -4.079 7.104 -9.438 1.00 0.00 N ATOM 784 CA PHE A 51 -2.900 6.181 -9.472 1.00 0.00 C ATOM 785 C PHE A 51 -2.583 5.769 -10.910 1.00 0.00 C ATOM 786 O PHE A 51 -3.469 5.651 -11.734 1.00 0.00 O ATOM 787 CB PHE A 51 -3.222 4.887 -8.688 1.00 0.00 C ATOM 788 CG PHE A 51 -3.721 5.214 -7.286 1.00 0.00 C ATOM 789 CD1 PHE A 51 -5.000 5.686 -7.094 1.00 0.00 C ATOM 790 CD2 PHE A 51 -2.912 4.996 -6.185 1.00 0.00 C ATOM 791 CE1 PHE A 51 -5.469 5.938 -5.821 1.00 0.00 C ATOM 792 CE2 PHE A 51 -3.381 5.247 -4.913 1.00 0.00 C ATOM 793 CZ PHE A 51 -4.659 5.717 -4.731 1.00 0.00 C ATOM 0 H PHE A 51 -4.943 6.719 -9.819 1.00 0.00 H new ATOM 0 HA PHE A 51 -2.053 6.707 -9.031 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -3.977 4.311 -9.223 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -2.330 4.263 -8.625 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -5.641 5.860 -7.946 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -1.906 4.627 -6.323 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -6.473 6.309 -5.680 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -2.743 5.074 -4.059 1.00 0.00 H new ATOM 0 HZ PHE A 51 -5.027 5.913 -3.735 1.00 0.00 H new ATOM 803 N ILE A 52 -1.322 5.564 -11.179 1.00 0.00 N ATOM 804 CA ILE A 52 -0.911 5.156 -12.552 1.00 0.00 C ATOM 805 C ILE A 52 0.196 4.111 -12.458 1.00 0.00 C ATOM 806 O ILE A 52 0.998 4.146 -11.541 1.00 0.00 O ATOM 807 CB ILE A 52 -0.394 6.384 -13.303 1.00 0.00 C ATOM 808 CG1 ILE A 52 0.436 7.245 -12.374 1.00 0.00 C ATOM 809 CG2 ILE A 52 -1.601 7.206 -13.785 1.00 0.00 C ATOM 810 CD1 ILE A 52 1.219 8.265 -13.205 1.00 0.00 C ATOM 0 H ILE A 52 -0.560 5.661 -10.508 1.00 0.00 H new ATOM 0 HA ILE A 52 -1.763 4.733 -13.084 1.00 0.00 H new ATOM 0 HB ILE A 52 0.219 6.064 -14.146 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.208 7.757 -11.659 1.00 0.00 H new ATOM 0 HG13 ILE A 52 1.121 6.624 -11.797 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -1.250 8.086 -14.323 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.215 6.596 -14.448 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.195 7.519 -12.926 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.819 8.889 -12.543 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.873 7.741 -13.902 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.523 8.892 -13.762 1.00 0.00 H new ATOM 822 N ILE A 53 0.227 3.202 -13.409 1.00 0.00 N ATOM 823 CA ILE A 53 1.280 2.142 -13.383 1.00 0.00 C ATOM 824 C ILE A 53 2.027 2.028 -14.697 1.00 0.00 C ATOM 825 O ILE A 53 1.491 2.308 -15.751 1.00 0.00 O ATOM 826 CB ILE A 53 0.591 0.812 -13.125 1.00 0.00 C ATOM 827 CG1 ILE A 53 0.069 0.778 -11.705 1.00 0.00 C ATOM 828 CG2 ILE A 53 1.620 -0.320 -13.298 1.00 0.00 C ATOM 829 CD1 ILE A 53 -0.850 -0.426 -11.543 1.00 0.00 C ATOM 0 H ILE A 53 -0.425 3.151 -14.192 1.00 0.00 H new ATOM 0 HA ILE A 53 2.001 2.403 -12.608 1.00 0.00 H new ATOM 0 HB ILE A 53 -0.236 0.687 -13.824 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.898 0.716 -11.000 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -0.472 1.697 -11.481 1.00 0.00 H new ATOM 0 HG21 ILE A 53 1.138 -1.281 -13.116 1.00 0.00 H new ATOM 0 HG22 ILE A 53 2.016 -0.300 -14.313 1.00 0.00 H new ATOM 0 HG23 ILE A 53 2.435 -0.182 -12.588 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -1.231 -0.458 -10.522 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -1.685 -0.343 -12.239 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -0.293 -1.339 -11.752 1.00 0.00 H new ATOM 841 N GLU A 54 3.265 1.617 -14.604 1.00 0.00 N ATOM 842 CA GLU A 54 4.076 1.469 -15.830 1.00 0.00 C ATOM 843 C GLU A 54 3.902 0.065 -16.407 1.00 0.00 C ATOM 844 O GLU A 54 4.470 -0.891 -15.919 1.00 0.00 O ATOM 845 CB GLU A 54 5.553 1.689 -15.467 1.00 0.00 C ATOM 846 CG GLU A 54 6.154 2.726 -16.420 1.00 0.00 C ATOM 847 CD GLU A 54 5.804 2.350 -17.862 1.00 0.00 C ATOM 848 OE1 GLU A 54 6.120 1.228 -18.222 1.00 0.00 O ATOM 849 OE2 GLU A 54 5.239 3.206 -18.522 1.00 0.00 O ATOM 0 H GLU A 54 3.740 1.381 -13.733 1.00 0.00 H new ATOM 0 HA GLU A 54 3.754 2.198 -16.573 1.00 0.00 H new ATOM 0 HB2 GLU A 54 5.640 2.031 -14.436 1.00 0.00 H new ATOM 0 HB3 GLU A 54 6.102 0.750 -15.539 1.00 0.00 H new ATOM 0 HG2 GLU A 54 5.768 3.718 -16.187 1.00 0.00 H new ATOM 0 HG3 GLU A 54 7.236 2.768 -16.295 1.00 0.00 H new ATOM 856 N ARG A 55 3.110 -0.029 -17.430 1.00 0.00 N ATOM 857 CA ARG A 55 2.871 -1.345 -18.063 1.00 0.00 C ATOM 858 C ARG A 55 4.169 -2.132 -18.243 1.00 0.00 C ATOM 859 O ARG A 55 4.158 -3.350 -18.245 1.00 0.00 O ATOM 860 CB ARG A 55 2.247 -1.085 -19.450 1.00 0.00 C ATOM 861 CG ARG A 55 2.117 -2.405 -20.212 1.00 0.00 C ATOM 862 CD ARG A 55 1.581 -2.124 -21.619 1.00 0.00 C ATOM 863 NE ARG A 55 0.266 -1.429 -21.513 1.00 0.00 N ATOM 864 CZ ARG A 55 0.100 -0.277 -22.105 1.00 0.00 C ATOM 865 NH1 ARG A 55 0.880 0.038 -23.103 1.00 0.00 N ATOM 866 NH2 ARG A 55 -0.843 0.520 -21.683 1.00 0.00 N ATOM 0 H ARG A 55 2.615 0.754 -17.857 1.00 0.00 H new ATOM 0 HA ARG A 55 2.213 -1.934 -17.424 1.00 0.00 H new ATOM 0 HB2 ARG A 55 1.267 -0.621 -19.338 1.00 0.00 H new ATOM 0 HB3 ARG A 55 2.867 -0.388 -20.014 1.00 0.00 H new ATOM 0 HG2 ARG A 55 3.086 -2.901 -20.271 1.00 0.00 H new ATOM 0 HG3 ARG A 55 1.445 -3.080 -19.682 1.00 0.00 H new ATOM 0 HD2 ARG A 55 2.288 -1.507 -22.174 1.00 0.00 H new ATOM 0 HD3 ARG A 55 1.469 -3.057 -22.172 1.00 0.00 H new ATOM 0 HE ARG A 55 -0.497 -1.850 -20.983 1.00 0.00 H new ATOM 0 HH11 ARG A 55 1.605 -0.611 -23.409 1.00 0.00 H new ATOM 0 HH12 ARG A 55 0.765 0.934 -23.577 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -1.436 0.239 -20.902 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -0.987 1.424 -22.134 1.00 0.00 H new ATOM 880 N GLU A 56 5.266 -1.428 -18.374 1.00 0.00 N ATOM 881 CA GLU A 56 6.568 -2.132 -18.557 1.00 0.00 C ATOM 882 C GLU A 56 7.309 -2.340 -17.238 1.00 0.00 C ATOM 883 O GLU A 56 7.466 -3.457 -16.784 1.00 0.00 O ATOM 884 CB GLU A 56 7.448 -1.272 -19.476 1.00 0.00 C ATOM 885 CG GLU A 56 6.702 -1.016 -20.786 1.00 0.00 C ATOM 886 CD GLU A 56 7.640 -0.326 -21.777 1.00 0.00 C ATOM 887 OE1 GLU A 56 8.568 0.305 -21.297 1.00 0.00 O ATOM 888 OE2 GLU A 56 7.377 -0.468 -22.960 1.00 0.00 O ATOM 0 H GLU A 56 5.315 -0.409 -18.362 1.00 0.00 H new ATOM 0 HA GLU A 56 6.365 -3.115 -18.983 1.00 0.00 H new ATOM 0 HB2 GLU A 56 7.689 -0.327 -18.989 1.00 0.00 H new ATOM 0 HB3 GLU A 56 8.393 -1.778 -19.674 1.00 0.00 H new ATOM 0 HG2 GLU A 56 6.343 -1.957 -21.203 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.826 -0.393 -20.603 1.00 0.00 H new ATOM 895 N THR A 57 7.751 -1.265 -16.646 1.00 0.00 N ATOM 896 CA THR A 57 8.485 -1.393 -15.360 1.00 0.00 C ATOM 897 C THR A 57 7.534 -1.592 -14.186 1.00 0.00 C ATOM 898 O THR A 57 7.944 -1.563 -13.043 1.00 0.00 O ATOM 899 CB THR A 57 9.283 -0.107 -15.136 1.00 0.00 C ATOM 900 OG1 THR A 57 8.318 0.889 -14.865 1.00 0.00 O ATOM 901 CG2 THR A 57 9.956 0.351 -16.437 1.00 0.00 C ATOM 0 H THR A 57 7.636 -0.313 -16.994 1.00 0.00 H new ATOM 0 HA THR A 57 9.138 -2.264 -15.416 1.00 0.00 H new ATOM 0 HB THR A 57 10.028 -0.265 -14.356 1.00 0.00 H new ATOM 0 HG1 THR A 57 8.748 1.770 -14.867 1.00 0.00 H new ATOM 0 HG21 THR A 57 10.518 1.267 -16.253 1.00 0.00 H new ATOM 0 HG22 THR A 57 10.634 -0.426 -16.789 1.00 0.00 H new ATOM 0 HG23 THR A 57 9.195 0.538 -17.194 1.00 0.00 H new ATOM 909 N GLY A 58 6.284 -1.796 -14.485 1.00 0.00 N ATOM 910 CA GLY A 58 5.293 -2.001 -13.389 1.00 0.00 C ATOM 911 C GLY A 58 5.525 -0.998 -12.255 1.00 0.00 C ATOM 912 O GLY A 58 5.234 -1.278 -11.107 1.00 0.00 O ATOM 0 H GLY A 58 5.905 -1.830 -15.431 1.00 0.00 H new ATOM 0 HA2 GLY A 58 4.282 -1.888 -13.780 1.00 0.00 H new ATOM 0 HA3 GLY A 58 5.374 -3.018 -13.004 1.00 0.00 H new ATOM 916 N TRP A 59 6.052 0.148 -12.597 1.00 0.00 N ATOM 917 CA TRP A 59 6.303 1.168 -11.552 1.00 0.00 C ATOM 918 C TRP A 59 4.996 1.810 -11.121 1.00 0.00 C ATOM 919 O TRP A 59 4.240 2.286 -11.946 1.00 0.00 O ATOM 920 CB TRP A 59 7.222 2.258 -12.134 1.00 0.00 C ATOM 921 CG TRP A 59 8.561 2.243 -11.396 1.00 0.00 C ATOM 922 CD1 TRP A 59 9.706 1.857 -11.935 1.00 0.00 C ATOM 923 CD2 TRP A 59 8.724 2.613 -10.155 1.00 0.00 C ATOM 924 NE1 TRP A 59 10.595 2.014 -10.935 1.00 0.00 N ATOM 925 CE2 TRP A 59 10.045 2.494 -9.762 1.00 0.00 C ATOM 926 CE3 TRP A 59 7.782 3.080 -9.268 1.00 0.00 C ATOM 927 CZ2 TRP A 59 10.416 2.843 -8.481 1.00 0.00 C ATOM 928 CZ3 TRP A 59 8.154 3.430 -7.988 1.00 0.00 C ATOM 929 CH2 TRP A 59 9.470 3.311 -7.593 1.00 0.00 C ATOM 0 H TRP A 59 6.315 0.415 -13.546 1.00 0.00 H new ATOM 0 HA TRP A 59 6.770 0.691 -10.690 1.00 0.00 H new ATOM 0 HB2 TRP A 59 7.379 2.086 -13.199 1.00 0.00 H new ATOM 0 HB3 TRP A 59 6.751 3.236 -12.036 1.00 0.00 H new ATOM 0 HD1 TRP A 59 9.885 1.501 -12.939 1.00 0.00 H new ATOM 0 HE1 TRP A 59 11.587 1.798 -11.035 1.00 0.00 H new ATOM 0 HE3 TRP A 59 6.751 3.172 -9.575 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 11.447 2.750 -8.173 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 7.414 3.798 -7.293 1.00 0.00 H new ATOM 0 HH2 TRP A 59 9.760 3.584 -6.589 1.00 0.00 H new ATOM 940 N LEU A 60 4.748 1.809 -9.838 1.00 0.00 N ATOM 941 CA LEU A 60 3.490 2.418 -9.340 1.00 0.00 C ATOM 942 C LEU A 60 3.706 3.866 -8.927 1.00 0.00 C ATOM 943 O LEU A 60 4.425 4.147 -7.983 1.00 0.00 O ATOM 944 CB LEU A 60 3.015 1.630 -8.105 1.00 0.00 C ATOM 945 CG LEU A 60 1.477 1.522 -8.115 1.00 0.00 C ATOM 946 CD1 LEU A 60 0.997 1.048 -6.745 1.00 0.00 C ATOM 947 CD2 LEU A 60 0.859 2.896 -8.405 1.00 0.00 C ATOM 0 H LEU A 60 5.359 1.415 -9.122 1.00 0.00 H new ATOM 0 HA LEU A 60 2.751 2.386 -10.140 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.459 0.634 -8.105 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.348 2.128 -7.194 1.00 0.00 H new ATOM 0 HG LEU A 60 1.174 0.814 -8.887 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -0.090 0.970 -6.747 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.430 0.072 -6.525 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.308 1.763 -5.983 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.228 2.812 -8.411 1.00 0.00 H new ATOM 0 HD22 LEU A 60 1.165 3.603 -7.633 1.00 0.00 H new ATOM 0 HD23 LEU A 60 1.201 3.251 -9.377 1.00 0.00 H new ATOM 959 N LYS A 61 3.082 4.758 -9.652 1.00 0.00 N ATOM 960 CA LYS A 61 3.215 6.204 -9.339 1.00 0.00 C ATOM 961 C LYS A 61 1.834 6.785 -9.108 1.00 0.00 C ATOM 962 O LYS A 61 0.853 6.201 -9.523 1.00 0.00 O ATOM 963 CB LYS A 61 3.874 6.923 -10.535 1.00 0.00 C ATOM 964 CG LYS A 61 4.905 5.993 -11.188 1.00 0.00 C ATOM 965 CD LYS A 61 5.570 6.732 -12.355 1.00 0.00 C ATOM 966 CE LYS A 61 6.362 5.735 -13.205 1.00 0.00 C ATOM 967 NZ LYS A 61 6.964 6.422 -14.384 1.00 0.00 N ATOM 0 H LYS A 61 2.484 4.542 -10.450 1.00 0.00 H new ATOM 0 HA LYS A 61 3.828 6.337 -8.448 1.00 0.00 H new ATOM 0 HB2 LYS A 61 3.115 7.210 -11.263 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.357 7.841 -10.200 1.00 0.00 H new ATOM 0 HG2 LYS A 61 5.655 5.689 -10.458 1.00 0.00 H new ATOM 0 HG3 LYS A 61 4.421 5.084 -11.544 1.00 0.00 H new ATOM 0 HD2 LYS A 61 4.814 7.226 -12.965 1.00 0.00 H new ATOM 0 HD3 LYS A 61 6.232 7.510 -11.976 1.00 0.00 H new ATOM 0 HE2 LYS A 61 7.147 5.277 -12.603 1.00 0.00 H new ATOM 0 HE3 LYS A 61 5.706 4.931 -13.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 7.498 5.733 -14.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 6.209 6.839 -14.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 7.605 7.173 -14.058 1.00 0.00 H new ATOM 981 N VAL A 62 1.769 7.911 -8.441 1.00 0.00 N ATOM 982 CA VAL A 62 0.431 8.528 -8.184 1.00 0.00 C ATOM 983 C VAL A 62 0.388 9.986 -8.596 1.00 0.00 C ATOM 984 O VAL A 62 1.369 10.704 -8.494 1.00 0.00 O ATOM 985 CB VAL A 62 0.129 8.439 -6.678 1.00 0.00 C ATOM 986 CG1 VAL A 62 -0.062 6.972 -6.288 1.00 0.00 C ATOM 987 CG2 VAL A 62 1.300 9.022 -5.887 1.00 0.00 C ATOM 0 H VAL A 62 2.569 8.422 -8.069 1.00 0.00 H new ATOM 0 HA VAL A 62 -0.308 7.986 -8.774 1.00 0.00 H new ATOM 0 HB VAL A 62 -0.778 9.001 -6.455 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -0.276 6.904 -5.221 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -0.894 6.551 -6.853 1.00 0.00 H new ATOM 0 HG13 VAL A 62 0.848 6.415 -6.512 1.00 0.00 H new ATOM 0 HG21 VAL A 62 1.086 8.959 -4.820 1.00 0.00 H new ATOM 0 HG22 VAL A 62 2.206 8.458 -6.109 1.00 0.00 H new ATOM 0 HG23 VAL A 62 1.444 10.066 -6.167 1.00 0.00 H new ATOM 997 N THR A 63 -0.762 10.394 -9.065 1.00 0.00 N ATOM 998 CA THR A 63 -0.922 11.792 -9.496 1.00 0.00 C ATOM 999 C THR A 63 -1.373 12.638 -8.323 1.00 0.00 C ATOM 1000 O THR A 63 -1.187 13.840 -8.313 1.00 0.00 O ATOM 1001 CB THR A 63 -1.993 11.844 -10.593 1.00 0.00 C ATOM 1002 OG1 THR A 63 -2.755 10.664 -10.431 1.00 0.00 O ATOM 1003 CG2 THR A 63 -1.355 11.703 -11.983 1.00 0.00 C ATOM 0 H THR A 63 -1.592 9.810 -9.164 1.00 0.00 H new ATOM 0 HA THR A 63 0.027 12.174 -9.872 1.00 0.00 H new ATOM 0 HB THR A 63 -2.551 12.777 -10.520 1.00 0.00 H new ATOM 0 HG1 THR A 63 -3.464 10.637 -11.107 1.00 0.00 H new ATOM 0 HG21 THR A 63 -2.132 11.743 -12.746 1.00 0.00 H new ATOM 0 HG22 THR A 63 -0.648 12.517 -12.143 1.00 0.00 H new ATOM 0 HG23 THR A 63 -0.831 10.749 -12.048 1.00 0.00 H new ATOM 1011 N GLN A 64 -1.966 11.988 -7.348 1.00 0.00 N ATOM 1012 CA GLN A 64 -2.443 12.736 -6.151 1.00 0.00 C ATOM 1013 C GLN A 64 -2.147 11.939 -4.862 1.00 0.00 C ATOM 1014 O GLN A 64 -2.260 10.729 -4.846 1.00 0.00 O ATOM 1015 CB GLN A 64 -3.965 12.925 -6.277 1.00 0.00 C ATOM 1016 CG GLN A 64 -4.287 13.502 -7.659 1.00 0.00 C ATOM 1017 CD GLN A 64 -5.765 13.896 -7.711 1.00 0.00 C ATOM 1018 OE1 GLN A 64 -6.259 14.609 -6.861 1.00 0.00 O ATOM 1019 NE2 GLN A 64 -6.505 13.454 -8.692 1.00 0.00 N ATOM 0 H GLN A 64 -2.137 10.983 -7.333 1.00 0.00 H new ATOM 0 HA GLN A 64 -1.931 13.697 -6.097 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -4.475 11.971 -6.140 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -4.326 13.595 -5.497 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -3.660 14.371 -7.858 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -4.067 12.767 -8.433 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -6.096 12.855 -9.409 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -7.492 13.708 -8.741 1.00 0.00 H new ATOM 1028 N PRO A 65 -1.768 12.641 -3.794 1.00 0.00 N ATOM 1029 CA PRO A 65 -1.465 11.984 -2.522 1.00 0.00 C ATOM 1030 C PRO A 65 -2.691 11.255 -1.990 1.00 0.00 C ATOM 1031 O PRO A 65 -3.731 11.260 -2.619 1.00 0.00 O ATOM 1032 CB PRO A 65 -1.086 13.130 -1.558 1.00 0.00 C ATOM 1033 CG PRO A 65 -1.257 14.469 -2.340 1.00 0.00 C ATOM 1034 CD PRO A 65 -1.635 14.109 -3.787 1.00 0.00 C ATOM 0 HA PRO A 65 -0.670 11.246 -2.630 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -1.725 13.116 -0.675 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -0.059 13.016 -1.211 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -2.031 15.085 -1.883 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -0.334 15.048 -2.317 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -2.567 14.591 -4.083 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -0.869 14.439 -4.489 1.00 0.00 H new ATOM 1042 N LEU A 66 -2.559 10.643 -0.842 1.00 0.00 N ATOM 1043 CA LEU A 66 -3.727 9.919 -0.280 1.00 0.00 C ATOM 1044 C LEU A 66 -4.551 10.825 0.608 1.00 0.00 C ATOM 1045 O LEU A 66 -4.053 11.796 1.141 1.00 0.00 O ATOM 1046 CB LEU A 66 -3.220 8.730 0.550 1.00 0.00 C ATOM 1047 CG LEU A 66 -2.931 7.566 -0.390 1.00 0.00 C ATOM 1048 CD1 LEU A 66 -4.252 6.947 -0.845 1.00 0.00 C ATOM 1049 CD2 LEU A 66 -2.169 8.085 -1.611 1.00 0.00 C ATOM 0 H LEU A 66 -1.708 10.615 -0.281 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.355 9.576 -1.102 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.318 9.007 1.096 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.965 8.441 1.291 1.00 0.00 H new ATOM 0 HG LEU A 66 -2.333 6.815 0.125 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -4.051 6.114 -1.518 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -4.803 6.587 0.024 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -4.846 7.698 -1.366 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.959 7.257 -2.288 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -2.773 8.831 -2.127 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.231 8.537 -1.289 1.00 0.00 H new ATOM 1061 N ASP A 67 -5.809 10.492 0.732 1.00 0.00 N ATOM 1062 CA ASP A 67 -6.717 11.316 1.585 1.00 0.00 C ATOM 1063 C ASP A 67 -7.273 10.495 2.740 1.00 0.00 C ATOM 1064 O ASP A 67 -8.322 9.897 2.630 1.00 0.00 O ATOM 1065 CB ASP A 67 -7.889 11.799 0.719 1.00 0.00 C ATOM 1066 CG ASP A 67 -8.884 12.553 1.601 1.00 0.00 C ATOM 1067 OD1 ASP A 67 -8.610 12.621 2.788 1.00 0.00 O ATOM 1068 OD2 ASP A 67 -9.862 13.020 1.040 1.00 0.00 O ATOM 0 H ASP A 67 -6.246 9.688 0.281 1.00 0.00 H new ATOM 0 HA ASP A 67 -6.154 12.156 1.992 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -7.526 12.448 -0.078 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -8.378 10.950 0.241 1.00 0.00 H new ATOM 1073 N ARG A 68 -6.568 10.495 3.832 1.00 0.00 N ATOM 1074 CA ARG A 68 -7.037 9.720 5.004 1.00 0.00 C ATOM 1075 C ARG A 68 -8.397 10.220 5.495 1.00 0.00 C ATOM 1076 O ARG A 68 -9.092 9.526 6.209 1.00 0.00 O ATOM 1077 CB ARG A 68 -6.011 9.894 6.132 1.00 0.00 C ATOM 1078 CG ARG A 68 -5.690 8.527 6.734 1.00 0.00 C ATOM 1079 CD ARG A 68 -4.880 8.724 8.017 1.00 0.00 C ATOM 1080 NE ARG A 68 -5.110 7.560 8.918 1.00 0.00 N ATOM 1081 CZ ARG A 68 -6.259 7.435 9.527 1.00 0.00 C ATOM 1082 NH1 ARG A 68 -7.037 8.479 9.625 1.00 0.00 N ATOM 1083 NH2 ARG A 68 -6.592 6.272 10.016 1.00 0.00 N ATOM 0 H ARG A 68 -5.690 10.997 3.962 1.00 0.00 H new ATOM 0 HA ARG A 68 -7.141 8.674 4.717 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -5.103 10.357 5.746 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -6.406 10.559 6.900 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -6.611 7.985 6.950 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -5.126 7.925 6.022 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -3.819 8.815 7.783 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -5.178 9.648 8.512 1.00 0.00 H new ATOM 0 HE ARG A 68 -4.376 6.866 9.058 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -6.744 9.372 9.230 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -7.938 8.401 10.097 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -5.959 5.478 9.920 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -7.485 6.157 10.495 1.00 0.00 H new ATOM 1097 N GLU A 69 -8.754 11.416 5.103 1.00 0.00 N ATOM 1098 CA GLU A 69 -10.066 11.961 5.545 1.00 0.00 C ATOM 1099 C GLU A 69 -11.213 11.313 4.783 1.00 0.00 C ATOM 1100 O GLU A 69 -12.357 11.429 5.177 1.00 0.00 O ATOM 1101 CB GLU A 69 -10.090 13.476 5.274 1.00 0.00 C ATOM 1102 CG GLU A 69 -8.910 14.135 5.993 1.00 0.00 C ATOM 1103 CD GLU A 69 -9.016 15.656 5.854 1.00 0.00 C ATOM 1104 OE1 GLU A 69 -10.078 16.158 6.185 1.00 0.00 O ATOM 1105 OE2 GLU A 69 -8.028 16.230 5.428 1.00 0.00 O ATOM 0 H GLU A 69 -8.201 12.029 4.504 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.189 11.751 6.608 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -10.031 13.667 4.202 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -11.029 13.905 5.623 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -8.909 13.854 7.046 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -7.969 13.784 5.568 1.00 0.00 H new ATOM 1112 N ALA A 70 -10.882 10.640 3.702 1.00 0.00 N ATOM 1113 CA ALA A 70 -11.940 9.972 2.891 1.00 0.00 C ATOM 1114 C ALA A 70 -11.687 8.473 2.784 1.00 0.00 C ATOM 1115 O ALA A 70 -12.594 7.679 2.935 1.00 0.00 O ATOM 1116 CB ALA A 70 -11.912 10.575 1.478 1.00 0.00 C ATOM 0 H ALA A 70 -9.930 10.528 3.353 1.00 0.00 H new ATOM 0 HA ALA A 70 -12.905 10.127 3.373 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -12.679 10.101 0.865 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -12.104 11.646 1.536 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -10.933 10.406 1.030 1.00 0.00 H new ATOM 1122 N ILE A 71 -10.455 8.115 2.523 1.00 0.00 N ATOM 1123 CA ILE A 71 -10.113 6.670 2.398 1.00 0.00 C ATOM 1124 C ILE A 71 -8.822 6.345 3.138 1.00 0.00 C ATOM 1125 O ILE A 71 -7.839 7.048 3.013 1.00 0.00 O ATOM 1126 CB ILE A 71 -9.910 6.354 0.918 1.00 0.00 C ATOM 1127 CG1 ILE A 71 -11.197 6.622 0.145 1.00 0.00 C ATOM 1128 CG2 ILE A 71 -9.543 4.866 0.781 1.00 0.00 C ATOM 1129 CD1 ILE A 71 -12.143 5.423 0.282 1.00 0.00 C ATOM 0 H ILE A 71 -9.676 8.760 2.392 1.00 0.00 H new ATOM 0 HA ILE A 71 -10.921 6.079 2.828 1.00 0.00 H new ATOM 0 HB ILE A 71 -9.115 6.983 0.516 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -11.679 7.523 0.524 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -10.971 6.800 -0.906 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -9.394 4.623 -0.271 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -8.625 4.665 1.333 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -10.350 4.254 1.184 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -13.061 5.619 -0.272 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -11.661 4.531 -0.119 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -12.380 5.265 1.334 1.00 0.00 H new ATOM 1141 N ALA A 72 -8.853 5.275 3.893 1.00 0.00 N ATOM 1142 CA ALA A 72 -7.643 4.869 4.657 1.00 0.00 C ATOM 1143 C ALA A 72 -6.983 3.667 3.994 1.00 0.00 C ATOM 1144 O ALA A 72 -5.919 3.234 4.392 1.00 0.00 O ATOM 1145 CB ALA A 72 -8.081 4.471 6.076 1.00 0.00 C ATOM 0 H ALA A 72 -9.665 4.669 4.011 1.00 0.00 H new ATOM 0 HA ALA A 72 -6.933 5.696 4.685 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -7.208 4.169 6.655 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -8.561 5.321 6.560 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -8.784 3.640 6.020 1.00 0.00 H new ATOM 1151 N LYS A 73 -7.639 3.147 2.992 1.00 0.00 N ATOM 1152 CA LYS A 73 -7.089 1.972 2.273 1.00 0.00 C ATOM 1153 C LYS A 73 -7.746 1.850 0.896 1.00 0.00 C ATOM 1154 O LYS A 73 -8.950 1.724 0.790 1.00 0.00 O ATOM 1155 CB LYS A 73 -7.401 0.719 3.110 1.00 0.00 C ATOM 1156 CG LYS A 73 -6.862 -0.525 2.403 1.00 0.00 C ATOM 1157 CD LYS A 73 -7.667 -1.742 2.864 1.00 0.00 C ATOM 1158 CE LYS A 73 -8.799 -2.000 1.868 1.00 0.00 C ATOM 1159 NZ LYS A 73 -9.941 -2.681 2.540 1.00 0.00 N ATOM 0 H LYS A 73 -8.534 3.489 2.643 1.00 0.00 H new ATOM 0 HA LYS A 73 -6.013 2.081 2.135 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -6.951 0.810 4.099 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -8.477 0.627 3.257 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -6.940 -0.408 1.322 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -5.805 -0.662 2.633 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -7.020 -2.617 2.933 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -8.075 -1.568 3.860 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -9.134 -1.057 1.437 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -8.434 -2.615 1.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -10.700 -2.848 1.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -9.622 -3.590 2.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -10.299 -2.080 3.310 1.00 0.00 H new ATOM 1173 N TYR A 74 -6.937 1.888 -0.135 1.00 0.00 N ATOM 1174 CA TYR A 74 -7.490 1.778 -1.513 1.00 0.00 C ATOM 1175 C TYR A 74 -7.347 0.369 -2.079 1.00 0.00 C ATOM 1176 O TYR A 74 -6.398 -0.333 -1.783 1.00 0.00 O ATOM 1177 CB TYR A 74 -6.697 2.733 -2.425 1.00 0.00 C ATOM 1178 CG TYR A 74 -6.989 4.188 -2.045 1.00 0.00 C ATOM 1179 CD1 TYR A 74 -6.679 4.664 -0.786 1.00 0.00 C ATOM 1180 CD2 TYR A 74 -7.546 5.054 -2.966 1.00 0.00 C ATOM 1181 CE1 TYR A 74 -6.921 5.979 -0.454 1.00 0.00 C ATOM 1182 CE2 TYR A 74 -7.787 6.372 -2.633 1.00 0.00 C ATOM 1183 CZ TYR A 74 -7.475 6.843 -1.373 1.00 0.00 C ATOM 1184 OH TYR A 74 -7.704 8.164 -1.040 1.00 0.00 O ATOM 0 H TYR A 74 -5.924 1.990 -0.079 1.00 0.00 H new ATOM 0 HA TYR A 74 -8.550 2.027 -1.472 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -5.629 2.532 -2.334 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -6.966 2.560 -3.467 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -6.243 3.999 -0.055 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -7.795 4.697 -3.954 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -6.674 6.336 0.535 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -8.222 7.039 -3.363 1.00 0.00 H new ATOM 0 HH TYR A 74 -8.098 8.631 -1.806 1.00 0.00 H new ATOM 1194 N ILE A 75 -8.305 -0.007 -2.890 1.00 0.00 N ATOM 1195 CA ILE A 75 -8.282 -1.358 -3.513 1.00 0.00 C ATOM 1196 C ILE A 75 -8.042 -1.212 -5.006 1.00 0.00 C ATOM 1197 O ILE A 75 -8.628 -0.355 -5.634 1.00 0.00 O ATOM 1198 CB ILE A 75 -9.644 -2.017 -3.292 1.00 0.00 C ATOM 1199 CG1 ILE A 75 -10.019 -1.937 -1.822 1.00 0.00 C ATOM 1200 CG2 ILE A 75 -9.546 -3.497 -3.694 1.00 0.00 C ATOM 1201 CD1 ILE A 75 -11.507 -2.254 -1.665 1.00 0.00 C ATOM 0 H ILE A 75 -9.105 0.571 -3.146 1.00 0.00 H new ATOM 0 HA ILE A 75 -7.491 -1.964 -3.070 1.00 0.00 H new ATOM 0 HB ILE A 75 -10.398 -1.506 -3.890 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -9.422 -2.641 -1.243 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -9.804 -0.942 -1.433 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -10.511 -3.980 -3.541 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -9.265 -3.571 -4.745 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -8.792 -3.991 -3.081 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -11.782 -2.198 -0.612 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -12.095 -1.532 -2.232 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -11.707 -3.258 -2.039 1.00 0.00 H new ATOM 1213 N LEU A 76 -7.187 -2.041 -5.556 1.00 0.00 N ATOM 1214 CA LEU A 76 -6.915 -1.931 -7.025 1.00 0.00 C ATOM 1215 C LEU A 76 -6.829 -3.295 -7.705 1.00 0.00 C ATOM 1216 O LEU A 76 -6.188 -4.190 -7.211 1.00 0.00 O ATOM 1217 CB LEU A 76 -5.551 -1.231 -7.184 1.00 0.00 C ATOM 1218 CG LEU A 76 -5.658 -0.111 -8.219 1.00 0.00 C ATOM 1219 CD1 LEU A 76 -6.720 0.900 -7.762 1.00 0.00 C ATOM 1220 CD2 LEU A 76 -4.292 0.584 -8.330 1.00 0.00 C ATOM 0 H LEU A 76 -6.675 -2.774 -5.065 1.00 0.00 H new ATOM 0 HA LEU A 76 -7.732 -1.379 -7.490 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -5.228 -0.823 -6.226 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.796 -1.953 -7.494 1.00 0.00 H new ATOM 0 HG LEU A 76 -5.945 -0.517 -9.189 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -6.800 1.701 -8.497 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -7.683 0.398 -7.666 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -6.432 1.320 -6.798 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -4.351 1.387 -9.065 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -4.015 0.999 -7.361 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -3.540 -0.140 -8.643 1.00 0.00 H new ATOM 1232 N TYR A 77 -7.476 -3.422 -8.845 1.00 0.00 N ATOM 1233 CA TYR A 77 -7.434 -4.722 -9.568 1.00 0.00 C ATOM 1234 C TYR A 77 -6.391 -4.629 -10.660 1.00 0.00 C ATOM 1235 O TYR A 77 -6.394 -3.680 -11.436 1.00 0.00 O ATOM 1236 CB TYR A 77 -8.809 -5.003 -10.201 1.00 0.00 C ATOM 1237 CG TYR A 77 -9.752 -5.576 -9.139 1.00 0.00 C ATOM 1238 CD1 TYR A 77 -9.880 -4.965 -7.910 1.00 0.00 C ATOM 1239 CD2 TYR A 77 -10.490 -6.713 -9.402 1.00 0.00 C ATOM 1240 CE1 TYR A 77 -10.733 -5.482 -6.956 1.00 0.00 C ATOM 1241 CE2 TYR A 77 -11.342 -7.230 -8.449 1.00 0.00 C ATOM 1242 CZ TYR A 77 -11.471 -6.619 -7.218 1.00 0.00 C ATOM 1243 OH TYR A 77 -12.326 -7.136 -6.265 1.00 0.00 O ATOM 0 H TYR A 77 -8.022 -2.687 -9.295 1.00 0.00 H new ATOM 0 HA TYR A 77 -7.186 -5.527 -8.876 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -9.225 -4.085 -10.615 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -8.704 -5.706 -11.027 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -9.308 -4.075 -7.692 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -10.399 -7.201 -10.361 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -10.824 -4.993 -5.997 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -11.913 -8.120 -8.668 1.00 0.00 H new ATOM 0 HH TYR A 77 -12.765 -7.937 -6.620 1.00 0.00 H new ATOM 1253 N SER A 78 -5.510 -5.608 -10.710 1.00 0.00 N ATOM 1254 CA SER A 78 -4.445 -5.582 -11.755 1.00 0.00 C ATOM 1255 C SER A 78 -4.494 -6.785 -12.690 1.00 0.00 C ATOM 1256 O SER A 78 -4.993 -7.848 -12.346 1.00 0.00 O ATOM 1257 CB SER A 78 -3.086 -5.580 -11.040 1.00 0.00 C ATOM 1258 OG SER A 78 -2.919 -6.921 -10.605 1.00 0.00 O ATOM 0 H SER A 78 -5.487 -6.410 -10.080 1.00 0.00 H new ATOM 0 HA SER A 78 -4.599 -4.692 -12.366 1.00 0.00 H new ATOM 0 HB2 SER A 78 -2.283 -5.276 -11.712 1.00 0.00 H new ATOM 0 HB3 SER A 78 -3.079 -4.885 -10.200 1.00 0.00 H new ATOM 0 HG SER A 78 -2.064 -7.008 -10.134 1.00 0.00 H new ATOM 1264 N HIS A 79 -3.956 -6.570 -13.868 1.00 0.00 N ATOM 1265 CA HIS A 79 -3.917 -7.637 -14.899 1.00 0.00 C ATOM 1266 C HIS A 79 -2.508 -7.699 -15.492 1.00 0.00 C ATOM 1267 O HIS A 79 -1.824 -6.695 -15.529 1.00 0.00 O ATOM 1268 CB HIS A 79 -4.915 -7.273 -16.011 1.00 0.00 C ATOM 1269 CG HIS A 79 -6.231 -6.819 -15.377 1.00 0.00 C ATOM 1270 ND1 HIS A 79 -7.196 -7.568 -15.116 1.00 0.00 N ATOM 1271 CD2 HIS A 79 -6.628 -5.557 -14.977 1.00 0.00 C ATOM 1272 CE1 HIS A 79 -8.158 -6.926 -14.597 1.00 0.00 C ATOM 1273 NE2 HIS A 79 -7.889 -5.626 -14.467 1.00 0.00 N ATOM 0 H HIS A 79 -3.538 -5.685 -14.155 1.00 0.00 H new ATOM 0 HA HIS A 79 -4.176 -8.601 -14.461 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -4.507 -6.480 -16.637 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -5.087 -8.133 -16.658 1.00 0.00 H new ATOM 0 HD1 HIS A 79 -7.208 -8.572 -15.298 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -6.033 -4.659 -15.056 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -9.090 -7.380 -14.294 1.00 0.00 H new ATOM 1281 N ALA A 80 -2.094 -8.867 -15.944 1.00 0.00 N ATOM 1282 CA ALA A 80 -0.716 -8.977 -16.532 1.00 0.00 C ATOM 1283 C ALA A 80 -0.712 -9.634 -17.915 1.00 0.00 C ATOM 1284 O ALA A 80 -1.422 -10.582 -18.159 1.00 0.00 O ATOM 1285 CB ALA A 80 0.131 -9.839 -15.585 1.00 0.00 C ATOM 0 H ALA A 80 -2.638 -9.730 -15.932 1.00 0.00 H new ATOM 0 HA ALA A 80 -0.317 -7.969 -16.647 1.00 0.00 H new ATOM 0 HB1 ALA A 80 1.140 -9.937 -15.986 1.00 0.00 H new ATOM 0 HB2 ALA A 80 0.175 -9.366 -14.604 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -0.320 -10.827 -15.491 1.00 0.00 H new ATOM 1291 N VAL A 81 0.119 -9.112 -18.792 1.00 0.00 N ATOM 1292 CA VAL A 81 0.198 -9.686 -20.176 1.00 0.00 C ATOM 1293 C VAL A 81 1.651 -9.923 -20.570 1.00 0.00 C ATOM 1294 O VAL A 81 2.484 -9.066 -20.399 1.00 0.00 O ATOM 1295 CB VAL A 81 -0.421 -8.685 -21.162 1.00 0.00 C ATOM 1296 CG1 VAL A 81 -1.803 -9.185 -21.605 1.00 0.00 C ATOM 1297 CG2 VAL A 81 -0.577 -7.329 -20.470 1.00 0.00 C ATOM 0 H VAL A 81 0.739 -8.322 -18.611 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.339 -10.634 -20.199 1.00 0.00 H new ATOM 0 HB VAL A 81 0.227 -8.586 -22.033 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -2.240 -8.473 -22.305 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -1.700 -10.155 -22.091 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -2.451 -9.282 -20.734 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -1.016 -6.614 -21.166 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -1.227 -7.436 -19.601 1.00 0.00 H new ATOM 0 HG23 VAL A 81 0.401 -6.970 -20.149 1.00 0.00 H new ATOM 1307 N SER A 82 1.926 -11.076 -21.110 1.00 0.00 N ATOM 1308 CA SER A 82 3.328 -11.369 -21.514 1.00 0.00 C ATOM 1309 C SER A 82 3.753 -10.516 -22.697 1.00 0.00 C ATOM 1310 O SER A 82 3.105 -10.502 -23.724 1.00 0.00 O ATOM 1311 CB SER A 82 3.434 -12.842 -21.908 1.00 0.00 C ATOM 1312 OG SER A 82 2.697 -12.932 -23.116 1.00 0.00 O ATOM 0 H SER A 82 1.251 -11.820 -21.288 1.00 0.00 H new ATOM 0 HA SER A 82 3.981 -11.143 -20.671 1.00 0.00 H new ATOM 0 HB2 SER A 82 4.472 -13.142 -22.051 1.00 0.00 H new ATOM 0 HB3 SER A 82 3.018 -13.491 -21.138 1.00 0.00 H new ATOM 0 HG SER A 82 1.761 -12.698 -22.946 1.00 0.00 H new ATOM 1318 N SER A 83 4.846 -9.824 -22.532 1.00 0.00 N ATOM 1319 CA SER A 83 5.340 -8.962 -23.632 1.00 0.00 C ATOM 1320 C SER A 83 5.663 -9.788 -24.871 1.00 0.00 C ATOM 1321 O SER A 83 6.209 -9.281 -25.831 1.00 0.00 O ATOM 1322 CB SER A 83 6.622 -8.262 -23.158 1.00 0.00 C ATOM 1323 OG SER A 83 6.666 -7.066 -23.922 1.00 0.00 O ATOM 0 H SER A 83 5.414 -9.820 -21.685 1.00 0.00 H new ATOM 0 HA SER A 83 4.567 -8.238 -23.890 1.00 0.00 H new ATOM 0 HB2 SER A 83 6.589 -8.051 -22.089 1.00 0.00 H new ATOM 0 HB3 SER A 83 7.502 -8.880 -23.334 1.00 0.00 H new ATOM 0 HG SER A 83 7.017 -6.337 -23.369 1.00 0.00 H new ATOM 1329 N ASN A 84 5.320 -11.049 -24.830 1.00 0.00 N ATOM 1330 CA ASN A 84 5.601 -11.920 -26.000 1.00 0.00 C ATOM 1331 C ASN A 84 4.386 -11.997 -26.907 1.00 0.00 C ATOM 1332 O ASN A 84 4.489 -12.392 -28.053 1.00 0.00 O ATOM 1333 CB ASN A 84 5.934 -13.337 -25.494 1.00 0.00 C ATOM 1334 CG ASN A 84 4.714 -13.936 -24.780 1.00 0.00 C ATOM 1335 OD1 ASN A 84 3.588 -13.789 -25.213 1.00 0.00 O ATOM 1336 ND2 ASN A 84 4.896 -14.623 -23.686 1.00 0.00 N ATOM 0 H ASN A 84 4.861 -11.507 -24.042 1.00 0.00 H new ATOM 0 HA ASN A 84 6.438 -11.505 -26.561 1.00 0.00 H new ATOM 0 HB2 ASN A 84 6.225 -13.972 -26.330 1.00 0.00 H new ATOM 0 HB3 ASN A 84 6.783 -13.299 -24.812 1.00 0.00 H new ATOM 0 HD21 ASN A 84 4.097 -15.032 -23.201 1.00 0.00 H new ATOM 0 HD22 ASN A 84 5.837 -14.752 -23.315 1.00 0.00 H new ATOM 1343 N GLY A 85 3.254 -11.615 -26.371 1.00 0.00 N ATOM 1344 CA GLY A 85 1.995 -11.651 -27.174 1.00 0.00 C ATOM 1345 C GLY A 85 1.043 -12.711 -26.615 1.00 0.00 C ATOM 1346 O GLY A 85 0.303 -13.333 -27.351 1.00 0.00 O ATOM 0 H GLY A 85 3.148 -11.280 -25.413 1.00 0.00 H new ATOM 0 HA2 GLY A 85 1.514 -10.673 -27.154 1.00 0.00 H new ATOM 0 HA3 GLY A 85 2.226 -11.872 -28.216 1.00 0.00 H new ATOM 1350 N GLU A 86 1.088 -12.894 -25.316 1.00 0.00 N ATOM 1351 CA GLU A 86 0.197 -13.904 -24.683 1.00 0.00 C ATOM 1352 C GLU A 86 -0.373 -13.374 -23.374 1.00 0.00 C ATOM 1353 O GLU A 86 0.344 -12.854 -22.543 1.00 0.00 O ATOM 1354 CB GLU A 86 1.022 -15.169 -24.392 1.00 0.00 C ATOM 1355 CG GLU A 86 1.311 -15.891 -25.708 1.00 0.00 C ATOM 1356 CD GLU A 86 1.474 -17.387 -25.438 1.00 0.00 C ATOM 1357 OE1 GLU A 86 0.672 -17.888 -24.667 1.00 0.00 O ATOM 1358 OE2 GLU A 86 2.390 -17.946 -26.018 1.00 0.00 O ATOM 0 H GLU A 86 1.700 -12.389 -24.675 1.00 0.00 H new ATOM 0 HA GLU A 86 -0.629 -14.126 -25.359 1.00 0.00 H new ATOM 0 HB2 GLU A 86 1.956 -14.903 -23.896 1.00 0.00 H new ATOM 0 HB3 GLU A 86 0.477 -15.826 -23.714 1.00 0.00 H new ATOM 0 HG2 GLU A 86 0.498 -15.724 -26.414 1.00 0.00 H new ATOM 0 HG3 GLU A 86 2.217 -15.491 -26.164 1.00 0.00 H new ATOM 1365 N ALA A 87 -1.658 -13.511 -23.219 1.00 0.00 N ATOM 1366 CA ALA A 87 -2.303 -13.024 -21.978 1.00 0.00 C ATOM 1367 C ALA A 87 -1.927 -13.889 -20.775 1.00 0.00 C ATOM 1368 O ALA A 87 -2.077 -15.094 -20.803 1.00 0.00 O ATOM 1369 CB ALA A 87 -3.825 -13.088 -22.171 1.00 0.00 C ATOM 0 H ALA A 87 -2.286 -13.939 -23.899 1.00 0.00 H new ATOM 0 HA ALA A 87 -1.966 -12.005 -21.786 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -4.322 -12.733 -21.268 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -4.112 -12.459 -23.014 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -4.124 -14.117 -22.369 1.00 0.00 H new ATOM 1375 N VAL A 88 -1.444 -13.245 -19.742 1.00 0.00 N ATOM 1376 CA VAL A 88 -1.046 -13.987 -18.514 1.00 0.00 C ATOM 1377 C VAL A 88 -1.619 -13.283 -17.304 1.00 0.00 C ATOM 1378 O VAL A 88 -1.127 -13.426 -16.201 1.00 0.00 O ATOM 1379 CB VAL A 88 0.498 -13.989 -18.406 1.00 0.00 C ATOM 1380 CG1 VAL A 88 1.093 -14.564 -19.688 1.00 0.00 C ATOM 1381 CG2 VAL A 88 1.013 -12.553 -18.220 1.00 0.00 C ATOM 0 H VAL A 88 -1.309 -12.235 -19.699 1.00 0.00 H new ATOM 0 HA VAL A 88 -1.420 -15.010 -18.562 1.00 0.00 H new ATOM 0 HB VAL A 88 0.794 -14.595 -17.550 1.00 0.00 H new ATOM 0 HG11 VAL A 88 2.181 -14.567 -19.615 1.00 0.00 H new ATOM 0 HG12 VAL A 88 0.736 -15.584 -19.829 1.00 0.00 H new ATOM 0 HG13 VAL A 88 0.788 -13.952 -20.537 1.00 0.00 H new ATOM 0 HG21 VAL A 88 2.100 -12.563 -18.145 1.00 0.00 H new ATOM 0 HG22 VAL A 88 0.714 -11.946 -19.074 1.00 0.00 H new ATOM 0 HG23 VAL A 88 0.590 -12.130 -17.309 1.00 0.00 H new ATOM 1391 N GLU A 89 -2.656 -12.532 -17.535 1.00 0.00 N ATOM 1392 CA GLU A 89 -3.289 -11.797 -16.423 1.00 0.00 C ATOM 1393 C GLU A 89 -4.192 -12.674 -15.591 1.00 0.00 C ATOM 1394 O GLU A 89 -4.719 -13.667 -16.052 1.00 0.00 O ATOM 1395 CB GLU A 89 -4.148 -10.662 -17.003 1.00 0.00 C ATOM 1396 CG GLU A 89 -5.071 -11.224 -18.089 1.00 0.00 C ATOM 1397 CD GLU A 89 -6.442 -11.529 -17.479 1.00 0.00 C ATOM 1398 OE1 GLU A 89 -7.154 -10.567 -17.240 1.00 0.00 O ATOM 1399 OE2 GLU A 89 -6.699 -12.706 -17.287 1.00 0.00 O ATOM 0 H GLU A 89 -3.089 -12.399 -18.449 1.00 0.00 H new ATOM 0 HA GLU A 89 -2.488 -11.422 -15.786 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -4.739 -10.198 -16.213 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -3.508 -9.885 -17.421 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -5.174 -10.506 -18.903 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -4.640 -12.130 -18.516 1.00 0.00 H new ATOM 1406 N ASP A 90 -4.345 -12.274 -14.373 1.00 0.00 N ATOM 1407 CA ASP A 90 -5.198 -13.024 -13.445 1.00 0.00 C ATOM 1408 C ASP A 90 -5.804 -12.043 -12.442 1.00 0.00 C ATOM 1409 O ASP A 90 -5.153 -11.103 -12.031 1.00 0.00 O ATOM 1410 CB ASP A 90 -4.331 -14.043 -12.692 1.00 0.00 C ATOM 1411 CG ASP A 90 -3.754 -15.049 -13.689 1.00 0.00 C ATOM 1412 OD1 ASP A 90 -2.749 -14.700 -14.289 1.00 0.00 O ATOM 1413 OD2 ASP A 90 -4.349 -16.107 -13.797 1.00 0.00 O ATOM 0 H ASP A 90 -3.905 -11.443 -13.978 1.00 0.00 H new ATOM 0 HA ASP A 90 -5.990 -13.541 -13.988 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -3.525 -13.533 -12.165 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -4.927 -14.560 -11.940 1.00 0.00 H new ATOM 1418 N PRO A 91 -7.037 -12.267 -12.063 1.00 0.00 N ATOM 1419 CA PRO A 91 -7.692 -11.385 -11.115 1.00 0.00 C ATOM 1420 C PRO A 91 -6.827 -11.194 -9.866 1.00 0.00 C ATOM 1421 O PRO A 91 -6.936 -11.935 -8.908 1.00 0.00 O ATOM 1422 CB PRO A 91 -9.027 -12.097 -10.767 1.00 0.00 C ATOM 1423 CG PRO A 91 -9.104 -13.382 -11.651 1.00 0.00 C ATOM 1424 CD PRO A 91 -7.831 -13.417 -12.514 1.00 0.00 C ATOM 0 HA PRO A 91 -7.858 -10.388 -11.524 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -9.062 -12.355 -9.708 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -9.876 -11.442 -10.964 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -9.171 -14.274 -11.028 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -9.994 -13.364 -12.279 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -7.286 -14.351 -12.377 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -8.070 -13.340 -13.575 1.00 0.00 H new ATOM 1432 N MET A 92 -5.962 -10.194 -9.914 1.00 0.00 N ATOM 1433 CA MET A 92 -5.076 -9.932 -8.746 1.00 0.00 C ATOM 1434 C MET A 92 -5.482 -8.656 -8.048 1.00 0.00 C ATOM 1435 O MET A 92 -5.407 -7.582 -8.615 1.00 0.00 O ATOM 1436 CB MET A 92 -3.634 -9.777 -9.245 1.00 0.00 C ATOM 1437 CG MET A 92 -3.171 -11.099 -9.862 1.00 0.00 C ATOM 1438 SD MET A 92 -4.348 -12.474 -9.860 1.00 0.00 S ATOM 1439 CE MET A 92 -3.217 -13.739 -9.229 1.00 0.00 C ATOM 0 H MET A 92 -5.841 -9.562 -10.706 1.00 0.00 H new ATOM 0 HA MET A 92 -5.159 -10.764 -8.047 1.00 0.00 H new ATOM 0 HB2 MET A 92 -3.576 -8.977 -9.983 1.00 0.00 H new ATOM 0 HB3 MET A 92 -2.979 -9.498 -8.420 1.00 0.00 H new ATOM 0 HG2 MET A 92 -2.880 -10.906 -10.895 1.00 0.00 H new ATOM 0 HG3 MET A 92 -2.274 -11.422 -9.333 1.00 0.00 H new ATOM 0 HE1 MET A 92 -3.744 -14.690 -9.146 1.00 0.00 H new ATOM 0 HE2 MET A 92 -2.376 -13.849 -9.913 1.00 0.00 H new ATOM 0 HE3 MET A 92 -2.849 -13.441 -8.247 1.00 0.00 H new ATOM 1449 N GLU A 93 -5.909 -8.786 -6.830 1.00 0.00 N ATOM 1450 CA GLU A 93 -6.322 -7.587 -6.083 1.00 0.00 C ATOM 1451 C GLU A 93 -5.141 -6.988 -5.337 1.00 0.00 C ATOM 1452 O GLU A 93 -4.335 -7.700 -4.770 1.00 0.00 O ATOM 1453 CB GLU A 93 -7.397 -7.993 -5.072 1.00 0.00 C ATOM 1454 CG GLU A 93 -8.482 -8.802 -5.787 1.00 0.00 C ATOM 1455 CD GLU A 93 -8.748 -10.093 -5.009 1.00 0.00 C ATOM 1456 OE1 GLU A 93 -7.921 -10.980 -5.134 1.00 0.00 O ATOM 1457 OE2 GLU A 93 -9.764 -10.117 -4.334 1.00 0.00 O ATOM 0 H GLU A 93 -5.988 -9.669 -6.325 1.00 0.00 H new ATOM 0 HA GLU A 93 -6.707 -6.844 -6.781 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -6.954 -8.585 -4.271 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -7.832 -7.107 -4.611 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -9.397 -8.215 -5.864 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -8.167 -9.035 -6.804 1.00 0.00 H new ATOM 1464 N ILE A 94 -5.071 -5.684 -5.355 1.00 0.00 N ATOM 1465 CA ILE A 94 -3.963 -4.985 -4.662 1.00 0.00 C ATOM 1466 C ILE A 94 -4.506 -4.187 -3.491 1.00 0.00 C ATOM 1467 O ILE A 94 -5.395 -3.360 -3.659 1.00 0.00 O ATOM 1468 CB ILE A 94 -3.298 -4.024 -5.658 1.00 0.00 C ATOM 1469 CG1 ILE A 94 -2.189 -4.747 -6.410 1.00 0.00 C ATOM 1470 CG2 ILE A 94 -2.672 -2.847 -4.881 1.00 0.00 C ATOM 1471 CD1 ILE A 94 -1.747 -3.894 -7.603 1.00 0.00 C ATOM 0 H ILE A 94 -5.740 -5.074 -5.824 1.00 0.00 H new ATOM 0 HA ILE A 94 -3.242 -5.714 -4.292 1.00 0.00 H new ATOM 0 HB ILE A 94 -4.048 -3.663 -6.362 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -1.344 -4.931 -5.747 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -2.541 -5.719 -6.754 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -2.198 -2.160 -5.582 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -3.450 -2.321 -4.328 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -1.925 -3.227 -4.184 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -0.953 -4.409 -8.144 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -2.595 -3.733 -8.269 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -1.379 -2.932 -7.246 1.00 0.00 H new ATOM 1483 N VAL A 95 -3.967 -4.446 -2.327 1.00 0.00 N ATOM 1484 CA VAL A 95 -4.432 -3.718 -1.126 1.00 0.00 C ATOM 1485 C VAL A 95 -3.458 -2.608 -0.767 1.00 0.00 C ATOM 1486 O VAL A 95 -2.365 -2.867 -0.304 1.00 0.00 O ATOM 1487 CB VAL A 95 -4.504 -4.717 0.042 1.00 0.00 C ATOM 1488 CG1 VAL A 95 -5.184 -4.049 1.239 1.00 0.00 C ATOM 1489 CG2 VAL A 95 -5.328 -5.933 -0.389 1.00 0.00 C ATOM 0 H VAL A 95 -3.228 -5.129 -2.164 1.00 0.00 H new ATOM 0 HA VAL A 95 -5.409 -3.276 -1.323 1.00 0.00 H new ATOM 0 HB VAL A 95 -3.498 -5.030 0.320 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -5.236 -4.755 2.068 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -4.609 -3.174 1.543 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -6.192 -3.742 0.960 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -5.383 -6.645 0.434 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -6.334 -5.613 -0.660 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -4.854 -6.408 -1.248 1.00 0.00 H new ATOM 1499 N ILE A 96 -3.880 -1.391 -0.985 1.00 0.00 N ATOM 1500 CA ILE A 96 -3.004 -0.235 -0.668 1.00 0.00 C ATOM 1501 C ILE A 96 -3.478 0.454 0.605 1.00 0.00 C ATOM 1502 O ILE A 96 -4.519 1.072 0.621 1.00 0.00 O ATOM 1503 CB ILE A 96 -3.087 0.760 -1.828 1.00 0.00 C ATOM 1504 CG1 ILE A 96 -2.204 0.295 -2.977 1.00 0.00 C ATOM 1505 CG2 ILE A 96 -2.573 2.113 -1.338 1.00 0.00 C ATOM 1506 CD1 ILE A 96 -2.773 0.829 -4.296 1.00 0.00 C ATOM 0 H ILE A 96 -4.794 -1.151 -1.369 1.00 0.00 H new ATOM 0 HA ILE A 96 -1.981 -0.582 -0.523 1.00 0.00 H new ATOM 0 HB ILE A 96 -4.119 0.835 -2.172 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -1.184 0.652 -2.836 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -2.160 -0.794 -3.000 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -2.624 2.838 -2.151 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -3.188 2.457 -0.507 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -1.540 2.011 -1.007 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -2.145 0.499 -5.123 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -3.785 0.450 -4.436 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -2.794 1.918 -4.268 1.00 0.00 H new ATOM 1518 N THR A 97 -2.704 0.336 1.650 1.00 0.00 N ATOM 1519 CA THR A 97 -3.105 0.981 2.929 1.00 0.00 C ATOM 1520 C THR A 97 -2.465 2.363 3.077 1.00 0.00 C ATOM 1521 O THR A 97 -1.351 2.586 2.637 1.00 0.00 O ATOM 1522 CB THR A 97 -2.639 0.079 4.086 1.00 0.00 C ATOM 1523 OG1 THR A 97 -3.580 0.284 5.120 1.00 0.00 O ATOM 1524 CG2 THR A 97 -1.308 0.571 4.679 1.00 0.00 C ATOM 0 H THR A 97 -1.821 -0.174 1.673 1.00 0.00 H new ATOM 0 HA THR A 97 -4.187 1.108 2.942 1.00 0.00 H new ATOM 0 HB THR A 97 -2.538 -0.946 3.729 1.00 0.00 H new ATOM 0 HG1 THR A 97 -3.341 -0.268 5.894 1.00 0.00 H new ATOM 0 HG21 THR A 97 -1.007 -0.088 5.494 1.00 0.00 H new ATOM 0 HG22 THR A 97 -0.541 0.565 3.905 1.00 0.00 H new ATOM 0 HG23 THR A 97 -1.432 1.585 5.059 1.00 0.00 H new ATOM 1532 N VAL A 98 -3.188 3.267 3.695 1.00 0.00 N ATOM 1533 CA VAL A 98 -2.642 4.641 3.885 1.00 0.00 C ATOM 1534 C VAL A 98 -2.071 4.810 5.293 1.00 0.00 C ATOM 1535 O VAL A 98 -2.673 4.385 6.260 1.00 0.00 O ATOM 1536 CB VAL A 98 -3.784 5.657 3.695 1.00 0.00 C ATOM 1537 CG1 VAL A 98 -3.189 7.057 3.579 1.00 0.00 C ATOM 1538 CG2 VAL A 98 -4.546 5.339 2.409 1.00 0.00 C ATOM 0 H VAL A 98 -4.123 3.112 4.071 1.00 0.00 H new ATOM 0 HA VAL A 98 -1.846 4.805 3.159 1.00 0.00 H new ATOM 0 HB VAL A 98 -4.462 5.603 4.546 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -3.991 7.783 3.444 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -2.635 7.293 4.487 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -2.516 7.096 2.723 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -5.353 6.059 2.277 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -3.866 5.397 1.559 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -4.963 4.334 2.472 1.00 0.00 H new ATOM 1548 N THR A 99 -0.914 5.433 5.378 1.00 0.00 N ATOM 1549 CA THR A 99 -0.275 5.646 6.713 1.00 0.00 C ATOM 1550 C THR A 99 -0.293 7.124 7.097 1.00 0.00 C ATOM 1551 O THR A 99 0.434 7.922 6.540 1.00 0.00 O ATOM 1552 CB THR A 99 1.180 5.187 6.620 1.00 0.00 C ATOM 1553 OG1 THR A 99 1.246 4.398 5.450 1.00 0.00 O ATOM 1554 CG2 THR A 99 1.522 4.218 7.760 1.00 0.00 C ATOM 0 H THR A 99 -0.391 5.800 4.583 1.00 0.00 H new ATOM 0 HA THR A 99 -0.825 5.083 7.467 1.00 0.00 H new ATOM 0 HB THR A 99 1.843 6.052 6.644 1.00 0.00 H new ATOM 0 HG1 THR A 99 2.161 4.070 5.328 1.00 0.00 H new ATOM 0 HG21 THR A 99 2.563 3.906 7.672 1.00 0.00 H new ATOM 0 HG22 THR A 99 1.372 4.716 8.718 1.00 0.00 H new ATOM 0 HG23 THR A 99 0.874 3.343 7.701 1.00 0.00 H new ATOM 1562 N ASP A 100 -1.110 7.453 8.067 1.00 0.00 N ATOM 1563 CA ASP A 100 -1.202 8.873 8.514 1.00 0.00 C ATOM 1564 C ASP A 100 0.178 9.490 8.729 1.00 0.00 C ATOM 1565 O ASP A 100 1.159 8.788 8.882 1.00 0.00 O ATOM 1566 CB ASP A 100 -1.970 8.911 9.846 1.00 0.00 C ATOM 1567 CG ASP A 100 -1.137 8.224 10.932 1.00 0.00 C ATOM 1568 OD1 ASP A 100 -0.524 7.224 10.592 1.00 0.00 O ATOM 1569 OD2 ASP A 100 -1.161 8.737 12.038 1.00 0.00 O ATOM 0 H ASP A 100 -1.715 6.800 8.566 1.00 0.00 H new ATOM 0 HA ASP A 100 -1.712 9.446 7.740 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -2.178 9.943 10.130 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -2.932 8.410 9.738 1.00 0.00 H new ATOM 1574 N GLN A 101 0.219 10.804 8.740 1.00 0.00 N ATOM 1575 CA GLN A 101 1.515 11.508 8.944 1.00 0.00 C ATOM 1576 C GLN A 101 1.615 12.063 10.362 1.00 0.00 C ATOM 1577 O GLN A 101 2.683 12.419 10.818 1.00 0.00 O ATOM 1578 CB GLN A 101 1.593 12.682 7.950 1.00 0.00 C ATOM 1579 CG GLN A 101 0.180 13.186 7.653 1.00 0.00 C ATOM 1580 CD GLN A 101 -0.460 13.679 8.951 1.00 0.00 C ATOM 1581 OE1 GLN A 101 -1.292 13.014 9.537 1.00 0.00 O ATOM 1582 NE2 GLN A 101 -0.099 14.835 9.435 1.00 0.00 N ATOM 0 H GLN A 101 -0.590 11.412 8.616 1.00 0.00 H new ATOM 0 HA GLN A 101 2.330 10.802 8.785 1.00 0.00 H new ATOM 0 HB2 GLN A 101 2.199 13.487 8.367 1.00 0.00 H new ATOM 0 HB3 GLN A 101 2.079 12.362 7.028 1.00 0.00 H new ATOM 0 HG2 GLN A 101 0.215 13.993 6.921 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -0.420 12.387 7.218 1.00 0.00 H new ATOM 0 HE21 GLN A 101 0.599 15.397 8.947 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -0.514 15.177 10.301 1.00 0.00 H new ATOM 1591 N ASN A 102 0.496 12.125 11.034 1.00 0.00 N ATOM 1592 CA ASN A 102 0.502 12.653 12.424 1.00 0.00 C ATOM 1593 C ASN A 102 1.185 14.016 12.492 1.00 0.00 C ATOM 1594 O ASN A 102 2.382 14.107 12.679 1.00 0.00 O ATOM 1595 CB ASN A 102 1.274 11.667 13.314 1.00 0.00 C ATOM 1596 CG ASN A 102 0.910 11.921 14.778 1.00 0.00 C ATOM 1597 OD1 ASN A 102 -0.327 12.211 15.084 1.00 0.00 O flip ATOM 1598 ND2 ASN A 102 1.746 11.859 15.657 1.00 0.00 N flip ATOM 0 H ASN A 102 -0.416 11.834 10.681 1.00 0.00 H new ATOM 0 HA ASN A 102 -0.528 12.766 12.763 1.00 0.00 H new ATOM 0 HB2 ASN A 102 1.029 10.641 13.038 1.00 0.00 H new ATOM 0 HB3 ASN A 102 2.347 11.789 13.167 1.00 0.00 H new ATOM 0 HD21 ASN A 102 2.713 11.633 15.426 1.00 0.00 H new ATOM 0 HD22 ASN A 102 1.481 12.033 16.626 1.00 0.00 H new ATOM 1605 N ASP A 103 0.407 15.053 12.341 1.00 0.00 N ATOM 1606 CA ASP A 103 0.990 16.417 12.393 1.00 0.00 C ATOM 1607 C ASP A 103 -0.107 17.470 12.498 1.00 0.00 C ATOM 1608 O ASP A 103 -0.006 18.532 11.916 1.00 0.00 O ATOM 1609 CB ASP A 103 1.781 16.656 11.100 1.00 0.00 C ATOM 1610 CG ASP A 103 2.877 17.691 11.364 1.00 0.00 C ATOM 1611 OD1 ASP A 103 3.641 17.447 12.283 1.00 0.00 O ATOM 1612 OD2 ASP A 103 2.887 18.667 10.632 1.00 0.00 O ATOM 0 H ASP A 103 -0.600 15.012 12.185 1.00 0.00 H new ATOM 0 HA ASP A 103 1.636 16.495 13.268 1.00 0.00 H new ATOM 0 HB2 ASP A 103 2.222 15.722 10.752 1.00 0.00 H new ATOM 0 HB3 ASP A 103 1.115 17.007 10.312 1.00 0.00 H new ATOM 1617 N ASN A 104 -1.136 17.158 13.239 1.00 0.00 N ATOM 1618 CA ASN A 104 -2.244 18.133 13.390 1.00 0.00 C ATOM 1619 C ASN A 104 -1.804 19.328 14.226 1.00 0.00 C ATOM 1620 O ASN A 104 -1.726 20.397 13.643 1.00 0.00 O ATOM 1621 CB ASN A 104 -3.415 17.435 14.103 1.00 0.00 C ATOM 1622 CG ASN A 104 -3.531 15.995 13.598 1.00 0.00 C ATOM 1623 OD1 ASN A 104 -2.905 15.091 14.117 1.00 0.00 O ATOM 1624 ND2 ASN A 104 -4.322 15.739 12.591 1.00 0.00 N ATOM 1625 OXT ASN A 104 -1.569 19.108 15.403 1.00 0.00 O ATOM 0 H ASN A 104 -1.254 16.278 13.740 1.00 0.00 H new ATOM 0 HA ASN A 104 -2.542 18.487 12.403 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -3.255 17.442 15.181 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -4.343 17.974 13.915 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -4.412 14.784 12.243 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -4.849 16.494 12.152 1.00 0.00 H new TER 1632 ASN A 104