USER MOD reduce.3.24.130724 H: found=0, std=0, add=665, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 662 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 58 LYS NZ :NH3+ 160:sc= 1.29 (180deg=0.923) USER MOD Set 1.2: A 62 SER OG : rot 77:sc= 0.634 USER MOD Set 2.1: A 48 CYS SG : rot -67:sc= 0.761 USER MOD Set 2.2: A 54 SER OG : rot 97:sc= 1.95 USER MOD Set 2.3: A 71 ASN : amide:sc= 1.23 K(o=3.9,f=0.41) USER MOD Set 3.1: A 41 ASN : amide:sc= 0.364 X(o=0.89,f=0.48) USER MOD Set 3.2: A 67 THR OG1 : rot 90:sc= 0.362 USER MOD Set 3.3: A 68 HIS : no HE2:sc= 0.168 K(o=0.89,f=-1.8) USER MOD Single : A 1 ALA N :NH3+ 177:sc= 1.17 (180deg=1.16) USER MOD Single : A 3 HIS : no HE2:sc= 1.16 K(o=1.2,f=-3.5!) USER MOD Single : A 12 GLN : amide:sc= 1.15 K(o=1.2,f=-7.8!) USER MOD Single : A 13 TYR OH : rot 6:sc= 1.23 USER MOD Single : A 14 GLN : amide:sc= -0.175 X(o=-0.17,f=-0.17) USER MOD Single : A 15 GLN : amide:sc= 1.22 K(o=1.2,f=-0.0081) USER MOD Single : A 17 HIS : no HE2:sc= 1.02 K(o=1,f=-3.3!) USER MOD Single : A 19 GLN : amide:sc= 0.525 K(o=0.53,f=0) USER MOD Single : A 23 ASN : amide:sc= 1.71 K(o=1.7,f=-0.052) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ -177:sc= 1.16 (180deg=1.15) USER MOD Single : A 43 THR OG1 : rot 93:sc= 1.03 USER MOD Single : A 45 LYS NZ :NH3+ 158:sc= 1.26 (180deg=1.16) USER MOD Single : A 47 TYR OH : rot 167:sc= 0.26 USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 GLN : amide:sc= 0.763 K(o=0.76,f=-3.8!) USER MOD Single : A 56 GLN : amide:sc= 0.793 K(o=0.79,f=-4.3!) USER MOD Single : A 64 MET CE :methyl -117:sc= 0 (180deg=-0.0376) USER MOD Single : A 66 TYR OH : rot -165:sc= 1.15 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl -150:sc= 0 (180deg=-0.108) USER MOD Single : A 82 LYS NZ :NH3+ 175:sc= 1.68 (180deg=1.55) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -2.057 1.479 -0.918 1.00 0.00 N ATOM 2 CA ALA A 1 -1.090 1.003 -1.927 1.00 0.00 C ATOM 3 C ALA A 1 -0.496 2.207 -2.670 1.00 0.00 C ATOM 4 O ALA A 1 -0.573 3.346 -2.195 1.00 0.00 O ATOM 5 CB ALA A 1 -1.740 -0.033 -2.869 1.00 0.00 C ATOM 0 H1 ALA A 1 -2.498 0.663 -0.448 1.00 0.00 H new ATOM 0 H2 ALA A 1 -1.563 2.060 -0.211 1.00 0.00 H new ATOM 0 H3 ALA A 1 -2.792 2.050 -1.383 1.00 0.00 H new ATOM 0 HA ALA A 1 -0.268 0.483 -1.436 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -1.007 -0.368 -3.603 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -2.087 -0.887 -2.287 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -2.586 0.423 -3.383 1.00 0.00 H new ATOM 13 N GLU A 2 0.142 1.965 -3.817 1.00 0.00 N ATOM 14 CA GLU A 2 0.731 2.975 -4.684 1.00 0.00 C ATOM 15 C GLU A 2 0.469 2.546 -6.129 1.00 0.00 C ATOM 16 O GLU A 2 0.473 1.347 -6.429 1.00 0.00 O ATOM 17 CB GLU A 2 2.251 3.080 -4.450 1.00 0.00 C ATOM 18 CG GLU A 2 2.660 3.579 -3.056 1.00 0.00 C ATOM 19 CD GLU A 2 4.186 3.529 -2.875 1.00 0.00 C ATOM 20 OE1 GLU A 2 4.886 4.453 -3.345 1.00 0.00 O ATOM 21 OE2 GLU A 2 4.697 2.575 -2.243 1.00 0.00 O ATOM 0 H GLU A 2 0.265 1.019 -4.178 1.00 0.00 H new ATOM 0 HA GLU A 2 0.290 3.949 -4.472 1.00 0.00 H new ATOM 0 HB2 GLU A 2 2.697 2.099 -4.614 1.00 0.00 H new ATOM 0 HB3 GLU A 2 2.673 3.751 -5.198 1.00 0.00 H new ATOM 0 HG2 GLU A 2 2.307 4.601 -2.914 1.00 0.00 H new ATOM 0 HG3 GLU A 2 2.180 2.967 -2.292 1.00 0.00 H new ATOM 28 N HIS A 3 0.300 3.521 -7.023 1.00 0.00 N ATOM 29 CA HIS A 3 0.139 3.317 -8.454 1.00 0.00 C ATOM 30 C HIS A 3 1.019 4.333 -9.176 1.00 0.00 C ATOM 31 O HIS A 3 0.763 5.539 -9.122 1.00 0.00 O ATOM 32 CB HIS A 3 -1.337 3.470 -8.856 1.00 0.00 C ATOM 33 CG HIS A 3 -2.173 2.249 -8.556 1.00 0.00 C ATOM 34 ND1 HIS A 3 -2.897 1.994 -7.412 1.00 0.00 N ATOM 35 CD2 HIS A 3 -2.357 1.178 -9.391 1.00 0.00 C ATOM 36 CE1 HIS A 3 -3.496 0.801 -7.554 1.00 0.00 C ATOM 37 NE2 HIS A 3 -3.197 0.257 -8.749 1.00 0.00 N ATOM 0 H HIS A 3 0.271 4.505 -6.757 1.00 0.00 H new ATOM 0 HA HIS A 3 0.443 2.308 -8.732 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -1.761 4.328 -8.334 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -1.394 3.686 -9.923 1.00 0.00 H new ATOM 0 HD1 HIS A 3 -2.966 2.605 -6.598 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -1.928 1.063 -10.376 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -4.131 0.341 -6.811 1.00 0.00 H new ATOM 45 N TRP A 4 2.078 3.850 -9.826 1.00 0.00 N ATOM 46 CA TRP A 4 2.849 4.664 -10.752 1.00 0.00 C ATOM 47 C TRP A 4 2.037 4.780 -12.037 1.00 0.00 C ATOM 48 O TRP A 4 1.550 3.772 -12.556 1.00 0.00 O ATOM 49 CB TRP A 4 4.218 4.029 -11.019 1.00 0.00 C ATOM 50 CG TRP A 4 5.207 4.232 -9.912 1.00 0.00 C ATOM 51 CD1 TRP A 4 5.470 3.374 -8.900 1.00 0.00 C ATOM 52 CD2 TRP A 4 6.066 5.389 -9.681 1.00 0.00 C ATOM 53 NE1 TRP A 4 6.428 3.917 -8.067 1.00 0.00 N ATOM 54 CE2 TRP A 4 6.843 5.156 -8.507 1.00 0.00 C ATOM 55 CE3 TRP A 4 6.266 6.613 -10.353 1.00 0.00 C ATOM 56 CZ2 TRP A 4 7.784 6.085 -8.037 1.00 0.00 C ATOM 57 CZ3 TRP A 4 7.206 7.552 -9.891 1.00 0.00 C ATOM 58 CH2 TRP A 4 7.967 7.289 -8.737 1.00 0.00 C ATOM 0 H TRP A 4 2.419 2.894 -9.724 1.00 0.00 H new ATOM 0 HA TRP A 4 3.036 5.653 -10.333 1.00 0.00 H new ATOM 0 HB2 TRP A 4 4.086 2.960 -11.183 1.00 0.00 H new ATOM 0 HB3 TRP A 4 4.627 4.445 -11.940 1.00 0.00 H new ATOM 0 HD1 TRP A 4 5.002 2.410 -8.764 1.00 0.00 H new ATOM 0 HE1 TRP A 4 6.785 3.458 -7.229 1.00 0.00 H new ATOM 0 HE3 TRP A 4 5.687 6.833 -11.238 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 8.361 5.877 -7.148 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 7.344 8.480 -10.425 1.00 0.00 H new ATOM 0 HH2 TRP A 4 8.691 8.012 -8.390 1.00 0.00 H new ATOM 69 N ILE A 5 1.913 5.992 -12.567 1.00 0.00 N ATOM 70 CA ILE A 5 1.162 6.281 -13.777 1.00 0.00 C ATOM 71 C ILE A 5 2.079 7.165 -14.625 1.00 0.00 C ATOM 72 O ILE A 5 2.551 8.211 -14.180 1.00 0.00 O ATOM 73 CB ILE A 5 -0.192 6.951 -13.429 1.00 0.00 C ATOM 74 CG1 ILE A 5 -1.097 6.147 -12.462 1.00 0.00 C ATOM 75 CG2 ILE A 5 -0.973 7.280 -14.710 1.00 0.00 C ATOM 76 CD1 ILE A 5 -1.671 4.829 -13.002 1.00 0.00 C ATOM 0 H ILE A 5 2.344 6.819 -12.154 1.00 0.00 H new ATOM 0 HA ILE A 5 0.893 5.383 -14.334 1.00 0.00 H new ATOM 0 HB ILE A 5 0.079 7.861 -12.893 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -0.524 5.927 -11.561 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -1.929 6.785 -12.163 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -1.921 7.750 -14.448 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -0.389 7.962 -15.327 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -1.165 6.362 -15.265 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -2.286 4.359 -12.235 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -2.281 5.031 -13.883 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -0.854 4.160 -13.272 1.00 0.00 H new ATOM 88 N ASP A 6 2.365 6.712 -15.840 1.00 0.00 N ATOM 89 CA ASP A 6 3.025 7.501 -16.868 1.00 0.00 C ATOM 90 C ASP A 6 1.945 8.411 -17.450 1.00 0.00 C ATOM 91 O ASP A 6 0.875 7.919 -17.808 1.00 0.00 O ATOM 92 CB ASP A 6 3.575 6.541 -17.931 1.00 0.00 C ATOM 93 CG ASP A 6 4.165 7.251 -19.154 1.00 0.00 C ATOM 94 OD1 ASP A 6 3.442 8.020 -19.826 1.00 0.00 O ATOM 95 OD2 ASP A 6 5.343 6.983 -19.468 1.00 0.00 O ATOM 0 H ASP A 6 2.139 5.765 -16.142 1.00 0.00 H new ATOM 0 HA ASP A 6 3.857 8.094 -16.488 1.00 0.00 H new ATOM 0 HB2 ASP A 6 4.344 5.914 -17.479 1.00 0.00 H new ATOM 0 HB3 ASP A 6 2.775 5.877 -18.258 1.00 0.00 H new ATOM 100 N VAL A 7 2.192 9.718 -17.545 1.00 0.00 N ATOM 101 CA VAL A 7 1.174 10.679 -17.990 1.00 0.00 C ATOM 102 C VAL A 7 1.655 11.514 -19.177 1.00 0.00 C ATOM 103 O VAL A 7 1.242 12.663 -19.340 1.00 0.00 O ATOM 104 CB VAL A 7 0.608 11.503 -16.808 1.00 0.00 C ATOM 105 CG1 VAL A 7 -0.045 10.617 -15.742 1.00 0.00 C ATOM 106 CG2 VAL A 7 1.701 12.337 -16.123 1.00 0.00 C ATOM 0 H VAL A 7 3.093 10.140 -17.319 1.00 0.00 H new ATOM 0 HA VAL A 7 0.323 10.117 -18.375 1.00 0.00 H new ATOM 0 HB VAL A 7 -0.145 12.159 -17.245 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -0.427 11.241 -14.934 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -0.867 10.058 -16.188 1.00 0.00 H new ATOM 0 HG13 VAL A 7 0.694 9.921 -15.345 1.00 0.00 H new ATOM 0 HG21 VAL A 7 1.265 12.901 -15.299 1.00 0.00 H new ATOM 0 HG22 VAL A 7 2.477 11.675 -15.739 1.00 0.00 H new ATOM 0 HG23 VAL A 7 2.138 13.028 -16.845 1.00 0.00 H new ATOM 116 N ARG A 8 2.507 10.951 -20.039 1.00 0.00 N ATOM 117 CA ARG A 8 2.996 11.649 -21.229 1.00 0.00 C ATOM 118 C ARG A 8 2.600 10.871 -22.485 1.00 0.00 C ATOM 119 O ARG A 8 1.828 9.913 -22.422 1.00 0.00 O ATOM 120 CB ARG A 8 4.515 11.879 -21.110 1.00 0.00 C ATOM 121 CG ARG A 8 4.941 13.211 -21.754 1.00 0.00 C ATOM 122 CD ARG A 8 6.429 13.230 -22.118 1.00 0.00 C ATOM 123 NE ARG A 8 6.738 14.377 -22.991 1.00 0.00 N ATOM 124 CZ ARG A 8 7.373 14.349 -24.173 1.00 0.00 C ATOM 125 NH1 ARG A 8 7.905 13.222 -24.640 1.00 0.00 N ATOM 126 NH2 ARG A 8 7.466 15.459 -24.893 1.00 0.00 N ATOM 0 H ARG A 8 2.874 10.005 -19.932 1.00 0.00 H new ATOM 0 HA ARG A 8 2.534 12.633 -21.310 1.00 0.00 H new ATOM 0 HB2 ARG A 8 4.803 11.875 -20.059 1.00 0.00 H new ATOM 0 HB3 ARG A 8 5.046 11.057 -21.589 1.00 0.00 H new ATOM 0 HG2 ARG A 8 4.347 13.385 -22.651 1.00 0.00 H new ATOM 0 HG3 ARG A 8 4.727 14.029 -21.067 1.00 0.00 H new ATOM 0 HD2 ARG A 8 7.030 13.286 -21.210 1.00 0.00 H new ATOM 0 HD3 ARG A 8 6.697 12.301 -22.621 1.00 0.00 H new ATOM 0 HE ARG A 8 6.436 15.293 -22.660 1.00 0.00 H new ATOM 0 HH11 ARG A 8 7.834 12.361 -24.097 1.00 0.00 H new ATOM 0 HH12 ARG A 8 8.384 13.219 -25.540 1.00 0.00 H new ATOM 0 HH21 ARG A 8 7.056 16.327 -24.547 1.00 0.00 H new ATOM 0 HH22 ARG A 8 7.947 15.445 -25.792 1.00 0.00 H new ATOM 140 N VAL A 9 3.092 11.313 -23.639 1.00 0.00 N ATOM 141 CA VAL A 9 2.926 10.611 -24.904 1.00 0.00 C ATOM 142 C VAL A 9 3.664 9.261 -24.858 1.00 0.00 C ATOM 143 O VAL A 9 4.647 9.129 -24.121 1.00 0.00 O ATOM 144 CB VAL A 9 3.439 11.499 -26.061 1.00 0.00 C ATOM 145 CG1 VAL A 9 2.402 12.573 -26.414 1.00 0.00 C ATOM 146 CG2 VAL A 9 4.782 12.186 -25.748 1.00 0.00 C ATOM 0 H VAL A 9 3.623 12.180 -23.721 1.00 0.00 H new ATOM 0 HA VAL A 9 1.869 10.406 -25.076 1.00 0.00 H new ATOM 0 HB VAL A 9 3.598 10.829 -26.906 1.00 0.00 H new ATOM 0 HG11 VAL A 9 2.780 13.189 -27.230 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.472 12.094 -26.721 1.00 0.00 H new ATOM 0 HG13 VAL A 9 2.216 13.200 -25.542 1.00 0.00 H new ATOM 0 HG21 VAL A 9 5.087 12.794 -26.600 1.00 0.00 H new ATOM 0 HG22 VAL A 9 4.669 12.822 -24.870 1.00 0.00 H new ATOM 0 HG23 VAL A 9 5.541 11.429 -25.553 1.00 0.00 H new ATOM 156 N PRO A 10 3.278 8.283 -25.699 1.00 0.00 N ATOM 157 CA PRO A 10 3.967 6.998 -25.792 1.00 0.00 C ATOM 158 C PRO A 10 5.423 7.113 -26.261 1.00 0.00 C ATOM 159 O PRO A 10 6.182 6.162 -26.093 1.00 0.00 O ATOM 160 CB PRO A 10 3.135 6.147 -26.753 1.00 0.00 C ATOM 161 CG PRO A 10 2.359 7.165 -27.583 1.00 0.00 C ATOM 162 CD PRO A 10 2.127 8.304 -26.595 1.00 0.00 C ATOM 0 HA PRO A 10 4.042 6.546 -24.803 1.00 0.00 H new ATOM 0 HB2 PRO A 10 3.769 5.522 -27.382 1.00 0.00 H new ATOM 0 HB3 PRO A 10 2.464 5.479 -26.213 1.00 0.00 H new ATOM 0 HG2 PRO A 10 2.927 7.494 -28.453 1.00 0.00 H new ATOM 0 HG3 PRO A 10 1.420 6.753 -27.953 1.00 0.00 H new ATOM 0 HD2 PRO A 10 2.049 9.261 -27.111 1.00 0.00 H new ATOM 0 HD3 PRO A 10 1.198 8.162 -26.043 1.00 0.00 H new ATOM 170 N GLU A 11 5.829 8.265 -26.808 1.00 0.00 N ATOM 171 CA GLU A 11 7.207 8.576 -27.177 1.00 0.00 C ATOM 172 C GLU A 11 8.176 8.217 -26.044 1.00 0.00 C ATOM 173 O GLU A 11 9.172 7.538 -26.301 1.00 0.00 O ATOM 174 CB GLU A 11 7.289 10.071 -27.534 1.00 0.00 C ATOM 175 CG GLU A 11 8.680 10.529 -27.990 1.00 0.00 C ATOM 176 CD GLU A 11 8.718 12.050 -28.222 1.00 0.00 C ATOM 177 OE1 GLU A 11 8.783 12.813 -27.230 1.00 0.00 O ATOM 178 OE2 GLU A 11 8.698 12.492 -29.394 1.00 0.00 O ATOM 0 H GLU A 11 5.183 9.028 -27.011 1.00 0.00 H new ATOM 0 HA GLU A 11 7.501 7.980 -28.041 1.00 0.00 H new ATOM 0 HB2 GLU A 11 6.570 10.285 -28.325 1.00 0.00 H new ATOM 0 HB3 GLU A 11 6.991 10.658 -26.665 1.00 0.00 H new ATOM 0 HG2 GLU A 11 9.420 10.255 -27.238 1.00 0.00 H new ATOM 0 HG3 GLU A 11 8.953 10.011 -28.910 1.00 0.00 H new ATOM 185 N GLN A 12 7.881 8.619 -24.795 1.00 0.00 N ATOM 186 CA GLN A 12 8.751 8.252 -23.678 1.00 0.00 C ATOM 187 C GLN A 12 8.624 6.755 -23.387 1.00 0.00 C ATOM 188 O GLN A 12 9.633 6.083 -23.197 1.00 0.00 O ATOM 189 CB GLN A 12 8.539 9.124 -22.424 1.00 0.00 C ATOM 190 CG GLN A 12 7.213 8.964 -21.661 1.00 0.00 C ATOM 191 CD GLN A 12 7.249 9.738 -20.341 1.00 0.00 C ATOM 192 OE1 GLN A 12 7.521 10.933 -20.327 1.00 0.00 O ATOM 193 NE2 GLN A 12 7.006 9.095 -19.212 1.00 0.00 N ATOM 0 H GLN A 12 7.069 9.182 -24.543 1.00 0.00 H new ATOM 0 HA GLN A 12 9.778 8.456 -23.980 1.00 0.00 H new ATOM 0 HB2 GLN A 12 9.353 8.917 -21.729 1.00 0.00 H new ATOM 0 HB3 GLN A 12 8.631 10.169 -22.722 1.00 0.00 H new ATOM 0 HG2 GLN A 12 6.388 9.324 -22.276 1.00 0.00 H new ATOM 0 HG3 GLN A 12 7.027 7.908 -21.464 1.00 0.00 H new ATOM 0 HE21 GLN A 12 6.780 8.100 -19.230 1.00 0.00 H new ATOM 0 HE22 GLN A 12 7.044 9.593 -18.323 1.00 0.00 H new ATOM 202 N TYR A 13 7.398 6.222 -23.416 1.00 0.00 N ATOM 203 CA TYR A 13 7.098 4.849 -23.030 1.00 0.00 C ATOM 204 C TYR A 13 7.917 3.851 -23.854 1.00 0.00 C ATOM 205 O TYR A 13 8.412 2.863 -23.308 1.00 0.00 O ATOM 206 CB TYR A 13 5.584 4.605 -23.162 1.00 0.00 C ATOM 207 CG TYR A 13 5.018 3.541 -22.239 1.00 0.00 C ATOM 208 CD1 TYR A 13 4.743 3.876 -20.901 1.00 0.00 C ATOM 209 CD2 TYR A 13 4.716 2.248 -22.708 1.00 0.00 C ATOM 210 CE1 TYR A 13 4.165 2.941 -20.029 1.00 0.00 C ATOM 211 CE2 TYR A 13 4.134 1.302 -21.842 1.00 0.00 C ATOM 212 CZ TYR A 13 3.854 1.644 -20.497 1.00 0.00 C ATOM 213 OH TYR A 13 3.273 0.736 -19.665 1.00 0.00 O ATOM 0 H TYR A 13 6.575 6.746 -23.714 1.00 0.00 H new ATOM 0 HA TYR A 13 7.383 4.694 -21.989 1.00 0.00 H new ATOM 0 HB2 TYR A 13 5.063 5.543 -22.971 1.00 0.00 H new ATOM 0 HB3 TYR A 13 5.366 4.323 -24.192 1.00 0.00 H new ATOM 0 HD1 TYR A 13 4.980 4.866 -20.540 1.00 0.00 H new ATOM 0 HD2 TYR A 13 4.931 1.982 -23.732 1.00 0.00 H new ATOM 0 HE1 TYR A 13 3.958 3.211 -19.004 1.00 0.00 H new ATOM 0 HE2 TYR A 13 3.900 0.312 -22.205 1.00 0.00 H new ATOM 0 HH TYR A 13 3.052 1.167 -18.813 1.00 0.00 H new ATOM 223 N GLN A 14 8.101 4.134 -25.148 1.00 0.00 N ATOM 224 CA GLN A 14 8.899 3.306 -26.038 1.00 0.00 C ATOM 225 C GLN A 14 10.376 3.289 -25.627 1.00 0.00 C ATOM 226 O GLN A 14 10.963 2.206 -25.614 1.00 0.00 O ATOM 227 CB GLN A 14 8.749 3.791 -27.491 1.00 0.00 C ATOM 228 CG GLN A 14 7.348 3.548 -28.081 1.00 0.00 C ATOM 229 CD GLN A 14 6.961 2.067 -28.122 1.00 0.00 C ATOM 230 OE1 GLN A 14 7.683 1.228 -28.655 1.00 0.00 O ATOM 231 NE2 GLN A 14 5.821 1.705 -27.554 1.00 0.00 N ATOM 0 H GLN A 14 7.695 4.951 -25.603 1.00 0.00 H new ATOM 0 HA GLN A 14 8.528 2.284 -25.963 1.00 0.00 H new ATOM 0 HB2 GLN A 14 8.972 4.857 -27.534 1.00 0.00 H new ATOM 0 HB3 GLN A 14 9.488 3.285 -28.112 1.00 0.00 H new ATOM 0 HG2 GLN A 14 6.612 4.093 -27.490 1.00 0.00 H new ATOM 0 HG3 GLN A 14 7.310 3.955 -29.091 1.00 0.00 H new ATOM 0 HE21 GLN A 14 5.226 2.406 -27.113 1.00 0.00 H new ATOM 0 HE22 GLN A 14 5.538 0.725 -27.557 1.00 0.00 H new ATOM 240 N GLN A 15 10.985 4.439 -25.300 1.00 0.00 N ATOM 241 CA GLN A 15 12.411 4.480 -24.965 1.00 0.00 C ATOM 242 C GLN A 15 12.661 3.879 -23.576 1.00 0.00 C ATOM 243 O GLN A 15 13.540 3.028 -23.458 1.00 0.00 O ATOM 244 CB GLN A 15 13.033 5.876 -25.152 1.00 0.00 C ATOM 245 CG GLN A 15 12.301 7.042 -24.478 1.00 0.00 C ATOM 246 CD GLN A 15 13.096 8.343 -24.581 1.00 0.00 C ATOM 247 OE1 GLN A 15 12.927 9.130 -25.509 1.00 0.00 O ATOM 248 NE2 GLN A 15 13.981 8.593 -23.633 1.00 0.00 N ATOM 0 H GLN A 15 10.515 5.343 -25.261 1.00 0.00 H new ATOM 0 HA GLN A 15 12.936 3.850 -25.683 1.00 0.00 H new ATOM 0 HB2 GLN A 15 14.055 5.849 -24.773 1.00 0.00 H new ATOM 0 HB3 GLN A 15 13.095 6.083 -26.220 1.00 0.00 H new ATOM 0 HG2 GLN A 15 11.324 7.175 -24.942 1.00 0.00 H new ATOM 0 HG3 GLN A 15 12.126 6.804 -23.429 1.00 0.00 H new ATOM 0 HE21 GLN A 15 14.110 7.930 -22.869 1.00 0.00 H new ATOM 0 HE22 GLN A 15 14.535 9.449 -23.665 1.00 0.00 H new ATOM 257 N GLU A 16 11.882 4.261 -22.558 1.00 0.00 N ATOM 258 CA GLU A 16 11.802 3.604 -21.255 1.00 0.00 C ATOM 259 C GLU A 16 10.688 4.246 -20.419 1.00 0.00 C ATOM 260 O GLU A 16 10.426 5.446 -20.512 1.00 0.00 O ATOM 261 CB GLU A 16 13.126 3.553 -20.456 1.00 0.00 C ATOM 262 CG GLU A 16 13.766 4.896 -20.075 1.00 0.00 C ATOM 263 CD GLU A 16 14.609 5.526 -21.199 1.00 0.00 C ATOM 264 OE1 GLU A 16 15.719 5.019 -21.488 1.00 0.00 O ATOM 265 OE2 GLU A 16 14.212 6.580 -21.742 1.00 0.00 O ATOM 0 H GLU A 16 11.265 5.071 -22.626 1.00 0.00 H new ATOM 0 HA GLU A 16 11.572 2.560 -21.467 1.00 0.00 H new ATOM 0 HB2 GLU A 16 12.946 2.992 -19.539 1.00 0.00 H new ATOM 0 HB3 GLU A 16 13.851 2.986 -21.039 1.00 0.00 H new ATOM 0 HG2 GLU A 16 12.979 5.594 -19.789 1.00 0.00 H new ATOM 0 HG3 GLU A 16 14.397 4.751 -19.198 1.00 0.00 H new ATOM 272 N HIS A 17 10.070 3.449 -19.553 1.00 0.00 N ATOM 273 CA HIS A 17 9.036 3.845 -18.614 1.00 0.00 C ATOM 274 C HIS A 17 9.310 3.145 -17.290 1.00 0.00 C ATOM 275 O HIS A 17 9.879 2.052 -17.263 1.00 0.00 O ATOM 276 CB HIS A 17 7.647 3.470 -19.155 1.00 0.00 C ATOM 277 CG HIS A 17 7.493 2.035 -19.614 1.00 0.00 C ATOM 278 ND1 HIS A 17 7.716 1.547 -20.884 1.00 0.00 N ATOM 279 CD2 HIS A 17 7.042 0.983 -18.861 1.00 0.00 C ATOM 280 CE1 HIS A 17 7.409 0.241 -20.890 1.00 0.00 C ATOM 281 NE2 HIS A 17 6.994 -0.157 -19.674 1.00 0.00 N ATOM 0 H HIS A 17 10.292 2.456 -19.487 1.00 0.00 H new ATOM 0 HA HIS A 17 9.049 4.926 -18.471 1.00 0.00 H new ATOM 0 HB2 HIS A 17 6.908 3.666 -18.378 1.00 0.00 H new ATOM 0 HB3 HIS A 17 7.412 4.128 -19.991 1.00 0.00 H new ATOM 0 HD1 HIS A 17 8.056 2.086 -21.681 1.00 0.00 H new ATOM 0 HD2 HIS A 17 6.769 1.025 -17.817 1.00 0.00 H new ATOM 0 HE1 HIS A 17 7.485 -0.403 -21.754 1.00 0.00 H new ATOM 289 N VAL A 18 8.895 3.773 -16.193 1.00 0.00 N ATOM 290 CA VAL A 18 8.923 3.196 -14.857 1.00 0.00 C ATOM 291 C VAL A 18 8.183 1.857 -14.907 1.00 0.00 C ATOM 292 O VAL A 18 7.092 1.768 -15.477 1.00 0.00 O ATOM 293 CB VAL A 18 8.318 4.219 -13.875 1.00 0.00 C ATOM 294 CG1 VAL A 18 8.061 3.631 -12.482 1.00 0.00 C ATOM 295 CG2 VAL A 18 9.255 5.432 -13.739 1.00 0.00 C ATOM 0 H VAL A 18 8.521 4.722 -16.212 1.00 0.00 H new ATOM 0 HA VAL A 18 9.933 2.987 -14.503 1.00 0.00 H new ATOM 0 HB VAL A 18 7.355 4.518 -14.290 1.00 0.00 H new ATOM 0 HG11 VAL A 18 7.635 4.399 -11.836 1.00 0.00 H new ATOM 0 HG12 VAL A 18 7.364 2.797 -12.562 1.00 0.00 H new ATOM 0 HG13 VAL A 18 9.001 3.279 -12.057 1.00 0.00 H new ATOM 0 HG21 VAL A 18 8.821 6.151 -13.044 1.00 0.00 H new ATOM 0 HG22 VAL A 18 10.224 5.103 -13.363 1.00 0.00 H new ATOM 0 HG23 VAL A 18 9.385 5.903 -14.714 1.00 0.00 H new ATOM 305 N GLN A 19 8.803 0.814 -14.349 1.00 0.00 N ATOM 306 CA GLN A 19 8.346 -0.565 -14.442 1.00 0.00 C ATOM 307 C GLN A 19 6.869 -0.665 -14.044 1.00 0.00 C ATOM 308 O GLN A 19 6.512 -0.374 -12.902 1.00 0.00 O ATOM 309 CB GLN A 19 9.266 -1.446 -13.573 1.00 0.00 C ATOM 310 CG GLN A 19 8.853 -2.930 -13.506 1.00 0.00 C ATOM 311 CD GLN A 19 8.381 -3.371 -12.114 1.00 0.00 C ATOM 312 OE1 GLN A 19 8.911 -4.318 -11.537 1.00 0.00 O ATOM 313 NE2 GLN A 19 7.386 -2.715 -11.533 1.00 0.00 N ATOM 0 H GLN A 19 9.661 0.914 -13.806 1.00 0.00 H new ATOM 0 HA GLN A 19 8.407 -0.925 -15.469 1.00 0.00 H new ATOM 0 HB2 GLN A 19 10.282 -1.382 -13.962 1.00 0.00 H new ATOM 0 HB3 GLN A 19 9.286 -1.041 -12.561 1.00 0.00 H new ATOM 0 HG2 GLN A 19 8.054 -3.110 -14.226 1.00 0.00 H new ATOM 0 HG3 GLN A 19 9.699 -3.548 -13.807 1.00 0.00 H new ATOM 0 HE21 GLN A 19 6.946 -1.929 -12.011 1.00 0.00 H new ATOM 0 HE22 GLN A 19 7.061 -2.996 -10.608 1.00 0.00 H new ATOM 322 N GLY A 20 6.024 -1.118 -14.972 1.00 0.00 N ATOM 323 CA GLY A 20 4.616 -1.398 -14.715 1.00 0.00 C ATOM 324 C GLY A 20 3.736 -0.148 -14.616 1.00 0.00 C ATOM 325 O GLY A 20 2.546 -0.285 -14.324 1.00 0.00 O ATOM 0 H GLY A 20 6.305 -1.302 -15.935 1.00 0.00 H new ATOM 0 HA2 GLY A 20 4.233 -2.037 -15.511 1.00 0.00 H new ATOM 0 HA3 GLY A 20 4.533 -1.962 -13.786 1.00 0.00 H new ATOM 329 N ALA A 21 4.277 1.057 -14.846 1.00 0.00 N ATOM 330 CA ALA A 21 3.475 2.274 -14.901 1.00 0.00 C ATOM 331 C ALA A 21 2.456 2.162 -16.041 1.00 0.00 C ATOM 332 O ALA A 21 2.819 1.791 -17.161 1.00 0.00 O ATOM 333 CB ALA A 21 4.370 3.500 -15.106 1.00 0.00 C ATOM 0 H ALA A 21 5.274 1.208 -14.997 1.00 0.00 H new ATOM 0 HA ALA A 21 2.946 2.395 -13.955 1.00 0.00 H new ATOM 0 HB1 ALA A 21 3.754 4.398 -15.144 1.00 0.00 H new ATOM 0 HB2 ALA A 21 5.075 3.579 -14.278 1.00 0.00 H new ATOM 0 HB3 ALA A 21 4.920 3.397 -16.042 1.00 0.00 H new ATOM 339 N ILE A 22 1.194 2.498 -15.771 1.00 0.00 N ATOM 340 CA ILE A 22 0.152 2.542 -16.797 1.00 0.00 C ATOM 341 C ILE A 22 0.352 3.861 -17.552 1.00 0.00 C ATOM 342 O ILE A 22 0.444 4.904 -16.905 1.00 0.00 O ATOM 343 CB ILE A 22 -1.261 2.459 -16.161 1.00 0.00 C ATOM 344 CG1 ILE A 22 -1.378 1.304 -15.134 1.00 0.00 C ATOM 345 CG2 ILE A 22 -2.319 2.297 -17.270 1.00 0.00 C ATOM 346 CD1 ILE A 22 -2.736 1.223 -14.424 1.00 0.00 C ATOM 0 H ILE A 22 0.866 2.747 -14.838 1.00 0.00 H new ATOM 0 HA ILE A 22 0.226 1.691 -17.474 1.00 0.00 H new ATOM 0 HB ILE A 22 -1.434 3.388 -15.617 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -1.192 0.359 -15.645 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -0.596 1.420 -14.384 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -3.311 2.239 -16.821 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -2.275 3.153 -17.943 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -2.121 1.384 -17.831 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -2.731 0.388 -13.724 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -2.919 2.151 -13.881 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -3.524 1.073 -15.162 1.00 0.00 H new ATOM 358 N ASN A 23 0.417 3.844 -18.888 1.00 0.00 N ATOM 359 CA ASN A 23 0.404 5.077 -19.680 1.00 0.00 C ATOM 360 C ASN A 23 -1.023 5.603 -19.779 1.00 0.00 C ATOM 361 O ASN A 23 -1.896 4.931 -20.331 1.00 0.00 O ATOM 362 CB ASN A 23 1.006 4.872 -21.076 1.00 0.00 C ATOM 363 CG ASN A 23 0.814 6.119 -21.941 1.00 0.00 C ATOM 364 OD1 ASN A 23 0.075 6.093 -22.918 1.00 0.00 O ATOM 365 ND2 ASN A 23 1.442 7.233 -21.602 1.00 0.00 N ATOM 0 H ASN A 23 0.479 2.990 -19.442 1.00 0.00 H new ATOM 0 HA ASN A 23 1.029 5.812 -19.173 1.00 0.00 H new ATOM 0 HB2 ASN A 23 2.069 4.645 -20.989 1.00 0.00 H new ATOM 0 HB3 ASN A 23 0.535 4.015 -21.557 1.00 0.00 H new ATOM 0 HD21 ASN A 23 1.313 8.080 -22.156 1.00 0.00 H new ATOM 0 HD22 ASN A 23 2.055 7.245 -20.787 1.00 0.00 H new ATOM 372 N ILE A 24 -1.243 6.808 -19.259 1.00 0.00 N ATOM 373 CA ILE A 24 -2.505 7.530 -19.283 1.00 0.00 C ATOM 374 C ILE A 24 -2.150 9.012 -19.527 1.00 0.00 C ATOM 375 O ILE A 24 -1.968 9.753 -18.560 1.00 0.00 O ATOM 376 CB ILE A 24 -3.310 7.319 -17.974 1.00 0.00 C ATOM 377 CG1 ILE A 24 -3.392 5.850 -17.496 1.00 0.00 C ATOM 378 CG2 ILE A 24 -4.719 7.867 -18.235 1.00 0.00 C ATOM 379 CD1 ILE A 24 -4.223 5.649 -16.221 1.00 0.00 C ATOM 0 H ILE A 24 -0.506 7.331 -18.786 1.00 0.00 H new ATOM 0 HA ILE A 24 -3.157 7.161 -20.074 1.00 0.00 H new ATOM 0 HB ILE A 24 -2.793 7.840 -17.168 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -3.819 5.243 -18.294 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -2.382 5.480 -17.320 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -5.329 7.742 -17.341 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -4.657 8.926 -18.487 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -5.173 7.323 -19.063 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -4.230 4.592 -15.954 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -3.785 6.226 -15.407 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.245 5.986 -16.396 1.00 0.00 H new ATOM 391 N PRO A 25 -1.967 9.445 -20.791 1.00 0.00 N ATOM 392 CA PRO A 25 -1.462 10.775 -21.134 1.00 0.00 C ATOM 393 C PRO A 25 -2.195 11.920 -20.424 1.00 0.00 C ATOM 394 O PRO A 25 -3.398 11.833 -20.174 1.00 0.00 O ATOM 395 CB PRO A 25 -1.610 10.892 -22.655 1.00 0.00 C ATOM 396 CG PRO A 25 -1.557 9.444 -23.139 1.00 0.00 C ATOM 397 CD PRO A 25 -2.216 8.673 -21.999 1.00 0.00 C ATOM 0 HA PRO A 25 -0.428 10.872 -20.802 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -2.550 11.371 -22.930 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -0.808 11.489 -23.090 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -2.095 9.313 -24.078 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -0.532 9.113 -23.310 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -3.286 8.558 -22.174 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -1.797 7.670 -21.914 1.00 0.00 H new ATOM 405 N LEU A 26 -1.494 13.036 -20.187 1.00 0.00 N ATOM 406 CA LEU A 26 -2.015 14.252 -19.550 1.00 0.00 C ATOM 407 C LEU A 26 -3.366 14.687 -20.129 1.00 0.00 C ATOM 408 O LEU A 26 -4.272 15.042 -19.377 1.00 0.00 O ATOM 409 CB LEU A 26 -0.966 15.375 -19.709 1.00 0.00 C ATOM 410 CG LEU A 26 -1.414 16.766 -19.209 1.00 0.00 C ATOM 411 CD1 LEU A 26 -1.679 16.770 -17.703 1.00 0.00 C ATOM 412 CD2 LEU A 26 -0.334 17.806 -19.523 1.00 0.00 C ATOM 0 H LEU A 26 -0.510 13.120 -20.444 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.191 14.041 -18.495 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.063 15.086 -19.171 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -0.698 15.454 -20.763 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.342 17.013 -19.724 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.992 17.767 -17.391 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.466 16.053 -17.470 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.768 16.493 -17.173 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -0.657 18.785 -19.168 1.00 0.00 H new ATOM 0 HD22 LEU A 26 0.595 17.528 -19.025 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.171 17.847 -20.600 1.00 0.00 H new ATOM 424 N LYS A 27 -3.515 14.632 -21.458 1.00 0.00 N ATOM 425 CA LYS A 27 -4.729 15.057 -22.159 1.00 0.00 C ATOM 426 C LYS A 27 -5.940 14.164 -21.856 1.00 0.00 C ATOM 427 O LYS A 27 -7.060 14.538 -22.201 1.00 0.00 O ATOM 428 CB LYS A 27 -4.470 15.091 -23.678 1.00 0.00 C ATOM 429 CG LYS A 27 -3.301 15.994 -24.118 1.00 0.00 C ATOM 430 CD LYS A 27 -3.413 17.470 -23.691 1.00 0.00 C ATOM 431 CE LYS A 27 -4.685 18.185 -24.182 1.00 0.00 C ATOM 432 NZ LYS A 27 -4.728 18.347 -25.659 1.00 0.00 N ATOM 0 H LYS A 27 -2.786 14.287 -22.083 1.00 0.00 H new ATOM 0 HA LYS A 27 -4.973 16.055 -21.795 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -4.274 14.075 -24.021 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -5.378 15.427 -24.179 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.375 15.585 -23.713 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -3.220 15.952 -25.204 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.379 17.523 -22.603 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -2.542 18.009 -24.064 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -5.560 17.621 -23.858 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -4.747 19.167 -23.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -5.606 18.834 -25.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -3.910 18.909 -25.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -4.698 17.411 -26.112 1.00 0.00 H new ATOM 446 N GLU A 28 -5.738 13.001 -21.237 1.00 0.00 N ATOM 447 CA GLU A 28 -6.753 11.972 -21.051 1.00 0.00 C ATOM 448 C GLU A 28 -6.848 11.502 -19.595 1.00 0.00 C ATOM 449 O GLU A 28 -7.783 10.771 -19.278 1.00 0.00 O ATOM 450 CB GLU A 28 -6.432 10.777 -21.963 1.00 0.00 C ATOM 451 CG GLU A 28 -6.629 11.062 -23.458 1.00 0.00 C ATOM 452 CD GLU A 28 -6.485 9.780 -24.300 1.00 0.00 C ATOM 453 OE1 GLU A 28 -7.243 8.809 -24.067 1.00 0.00 O ATOM 454 OE2 GLU A 28 -5.633 9.746 -25.218 1.00 0.00 O ATOM 0 H GLU A 28 -4.834 12.744 -20.840 1.00 0.00 H new ATOM 0 HA GLU A 28 -7.719 12.405 -21.313 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.399 10.472 -21.795 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.063 9.936 -21.678 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.616 11.496 -23.620 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -5.898 11.800 -23.788 1.00 0.00 H new ATOM 461 N VAL A 29 -5.926 11.900 -18.706 1.00 0.00 N ATOM 462 CA VAL A 29 -5.792 11.356 -17.355 1.00 0.00 C ATOM 463 C VAL A 29 -7.137 11.322 -16.604 1.00 0.00 C ATOM 464 O VAL A 29 -7.487 10.296 -16.015 1.00 0.00 O ATOM 465 CB VAL A 29 -4.616 12.061 -16.620 1.00 0.00 C ATOM 466 CG1 VAL A 29 -4.946 13.485 -16.143 1.00 0.00 C ATOM 467 CG2 VAL A 29 -4.128 11.210 -15.441 1.00 0.00 C ATOM 0 H VAL A 29 -5.240 12.625 -18.915 1.00 0.00 H new ATOM 0 HA VAL A 29 -5.518 10.302 -17.402 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.821 12.161 -17.359 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -4.078 13.911 -15.640 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -5.208 14.104 -17.001 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -5.786 13.451 -15.449 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.305 11.720 -14.940 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -4.946 11.062 -14.736 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.785 10.243 -15.808 1.00 0.00 H new ATOM 477 N LYS A 30 -7.948 12.384 -16.716 1.00 0.00 N ATOM 478 CA LYS A 30 -9.253 12.492 -16.055 1.00 0.00 C ATOM 479 C LYS A 30 -10.205 11.360 -16.435 1.00 0.00 C ATOM 480 O LYS A 30 -10.994 10.912 -15.605 1.00 0.00 O ATOM 481 CB LYS A 30 -9.934 13.822 -16.415 1.00 0.00 C ATOM 482 CG LYS A 30 -9.123 15.055 -15.997 1.00 0.00 C ATOM 483 CD LYS A 30 -9.920 16.360 -16.131 1.00 0.00 C ATOM 484 CE LYS A 30 -10.301 16.668 -17.588 1.00 0.00 C ATOM 485 NZ LYS A 30 -11.034 17.952 -17.717 1.00 0.00 N ATOM 0 H LYS A 30 -7.711 13.202 -17.277 1.00 0.00 H new ATOM 0 HA LYS A 30 -9.050 12.434 -14.986 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -10.103 13.855 -17.491 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -10.913 13.861 -15.937 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -8.797 14.937 -14.964 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -8.224 15.118 -16.610 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -10.826 16.293 -15.528 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -9.331 17.185 -15.730 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -9.398 16.704 -18.198 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -10.918 15.859 -17.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -11.270 18.118 -18.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -11.909 17.910 -17.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -10.437 18.729 -17.369 1.00 0.00 H new ATOM 499 N GLU A 31 -10.140 10.893 -17.681 1.00 0.00 N ATOM 500 CA GLU A 31 -11.125 9.993 -18.268 1.00 0.00 C ATOM 501 C GLU A 31 -10.720 8.522 -18.095 1.00 0.00 C ATOM 502 O GLU A 31 -11.333 7.646 -18.709 1.00 0.00 O ATOM 503 CB GLU A 31 -11.320 10.363 -19.753 1.00 0.00 C ATOM 504 CG GLU A 31 -11.781 11.811 -19.993 1.00 0.00 C ATOM 505 CD GLU A 31 -13.139 12.119 -19.335 1.00 0.00 C ATOM 506 OE1 GLU A 31 -14.189 11.694 -19.869 1.00 0.00 O ATOM 507 OE2 GLU A 31 -13.173 12.806 -18.291 1.00 0.00 O ATOM 0 H GLU A 31 -9.385 11.136 -18.322 1.00 0.00 H new ATOM 0 HA GLU A 31 -12.075 10.111 -17.746 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -10.380 10.202 -20.281 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -12.052 9.684 -20.191 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -11.029 12.497 -19.603 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -11.852 11.992 -21.065 1.00 0.00 H new ATOM 514 N ARG A 32 -9.658 8.224 -17.332 1.00 0.00 N ATOM 515 CA ARG A 32 -9.202 6.849 -17.094 1.00 0.00 C ATOM 516 C ARG A 32 -8.737 6.639 -15.657 1.00 0.00 C ATOM 517 O ARG A 32 -8.849 5.520 -15.158 1.00 0.00 O ATOM 518 CB ARG A 32 -8.052 6.458 -18.040 1.00 0.00 C ATOM 519 CG ARG A 32 -8.351 6.428 -19.550 1.00 0.00 C ATOM 520 CD ARG A 32 -8.205 7.802 -20.225 1.00 0.00 C ATOM 521 NE ARG A 32 -8.517 7.776 -21.663 1.00 0.00 N ATOM 522 CZ ARG A 32 -9.720 7.669 -22.238 1.00 0.00 C ATOM 523 NH1 ARG A 32 -10.826 7.424 -21.535 1.00 0.00 N ATOM 524 NH2 ARG A 32 -9.778 7.827 -23.552 1.00 0.00 N ATOM 0 H ARG A 32 -9.092 8.931 -16.863 1.00 0.00 H new ATOM 0 HA ARG A 32 -10.066 6.214 -17.287 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -7.229 7.153 -17.874 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -7.698 5.469 -17.748 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -7.678 5.720 -20.033 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -9.365 6.060 -19.706 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -8.864 8.515 -19.729 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -7.185 8.161 -20.087 1.00 0.00 H new ATOM 0 HE ARG A 32 -7.721 7.848 -22.297 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -10.772 7.311 -20.523 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -11.726 7.349 -22.009 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -8.927 8.021 -24.080 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -10.673 7.754 -24.035 1.00 0.00 H new ATOM 538 N ILE A 33 -8.248 7.672 -14.961 1.00 0.00 N ATOM 539 CA ILE A 33 -7.795 7.522 -13.578 1.00 0.00 C ATOM 540 C ILE A 33 -8.922 6.976 -12.687 1.00 0.00 C ATOM 541 O ILE A 33 -8.659 6.142 -11.825 1.00 0.00 O ATOM 542 CB ILE A 33 -7.189 8.847 -13.061 1.00 0.00 C ATOM 543 CG1 ILE A 33 -6.398 8.662 -11.748 1.00 0.00 C ATOM 544 CG2 ILE A 33 -8.263 9.938 -12.889 1.00 0.00 C ATOM 545 CD1 ILE A 33 -5.104 7.856 -11.911 1.00 0.00 C ATOM 0 H ILE A 33 -8.157 8.617 -15.334 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.997 6.781 -13.540 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.486 9.175 -13.826 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -6.154 9.643 -11.341 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -7.036 8.163 -11.018 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -7.797 10.853 -12.524 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -8.741 10.132 -13.849 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -9.012 9.602 -12.172 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -4.605 7.769 -10.946 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -5.340 6.861 -12.288 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -4.445 8.364 -12.615 1.00 0.00 H new ATOM 557 N ALA A 34 -10.177 7.362 -12.961 1.00 0.00 N ATOM 558 CA ALA A 34 -11.356 6.931 -12.215 1.00 0.00 C ATOM 559 C ALA A 34 -11.599 5.413 -12.267 1.00 0.00 C ATOM 560 O ALA A 34 -12.400 4.910 -11.479 1.00 0.00 O ATOM 561 CB ALA A 34 -12.582 7.687 -12.741 1.00 0.00 C ATOM 0 H ALA A 34 -10.399 7.998 -13.727 1.00 0.00 H new ATOM 0 HA ALA A 34 -11.179 7.166 -11.166 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -13.468 7.372 -12.190 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -12.434 8.759 -12.607 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -12.717 7.469 -13.800 1.00 0.00 H new ATOM 567 N THR A 35 -10.930 4.682 -13.161 1.00 0.00 N ATOM 568 CA THR A 35 -11.047 3.238 -13.312 1.00 0.00 C ATOM 569 C THR A 35 -9.687 2.548 -13.119 1.00 0.00 C ATOM 570 O THR A 35 -9.649 1.410 -12.649 1.00 0.00 O ATOM 571 CB THR A 35 -11.688 2.933 -14.683 1.00 0.00 C ATOM 572 OG1 THR A 35 -11.259 3.827 -15.701 1.00 0.00 O ATOM 573 CG2 THR A 35 -13.215 3.053 -14.609 1.00 0.00 C ATOM 0 H THR A 35 -10.271 5.097 -13.820 1.00 0.00 H new ATOM 0 HA THR A 35 -11.695 2.831 -12.536 1.00 0.00 H new ATOM 0 HB THR A 35 -11.375 1.918 -14.930 1.00 0.00 H new ATOM 0 HG1 THR A 35 -11.692 3.590 -16.548 1.00 0.00 H new ATOM 0 HG21 THR A 35 -13.645 2.834 -15.586 1.00 0.00 H new ATOM 0 HG22 THR A 35 -13.601 2.345 -13.876 1.00 0.00 H new ATOM 0 HG23 THR A 35 -13.486 4.066 -14.312 1.00 0.00 H new ATOM 581 N ALA A 36 -8.570 3.229 -13.411 1.00 0.00 N ATOM 582 CA ALA A 36 -7.230 2.731 -13.114 1.00 0.00 C ATOM 583 C ALA A 36 -6.965 2.730 -11.602 1.00 0.00 C ATOM 584 O ALA A 36 -6.345 1.798 -11.089 1.00 0.00 O ATOM 585 CB ALA A 36 -6.190 3.598 -13.834 1.00 0.00 C ATOM 0 H ALA A 36 -8.576 4.144 -13.862 1.00 0.00 H new ATOM 0 HA ALA A 36 -7.154 1.703 -13.468 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -5.190 3.226 -13.612 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -6.363 3.556 -14.909 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -6.277 4.630 -13.493 1.00 0.00 H new ATOM 591 N VAL A 37 -7.444 3.757 -10.893 1.00 0.00 N ATOM 592 CA VAL A 37 -7.264 3.966 -9.460 1.00 0.00 C ATOM 593 C VAL A 37 -8.609 4.502 -8.929 1.00 0.00 C ATOM 594 O VAL A 37 -8.763 5.711 -8.733 1.00 0.00 O ATOM 595 CB VAL A 37 -6.061 4.904 -9.179 1.00 0.00 C ATOM 596 CG1 VAL A 37 -5.745 4.912 -7.676 1.00 0.00 C ATOM 597 CG2 VAL A 37 -4.777 4.502 -9.929 1.00 0.00 C ATOM 0 H VAL A 37 -7.994 4.499 -11.327 1.00 0.00 H new ATOM 0 HA VAL A 37 -7.013 3.042 -8.939 1.00 0.00 H new ATOM 0 HB VAL A 37 -6.363 5.889 -9.535 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -4.899 5.573 -7.486 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -6.615 5.267 -7.123 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -5.497 3.902 -7.351 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.978 5.202 -9.684 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.481 3.496 -9.631 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.961 4.523 -11.003 1.00 0.00 H new ATOM 607 N PRO A 38 -9.631 3.637 -8.775 1.00 0.00 N ATOM 608 CA PRO A 38 -10.981 4.076 -8.442 1.00 0.00 C ATOM 609 C PRO A 38 -11.083 4.615 -7.009 1.00 0.00 C ATOM 610 O PRO A 38 -11.865 5.534 -6.758 1.00 0.00 O ATOM 611 CB PRO A 38 -11.875 2.849 -8.658 1.00 0.00 C ATOM 612 CG PRO A 38 -10.930 1.666 -8.456 1.00 0.00 C ATOM 613 CD PRO A 38 -9.593 2.194 -8.973 1.00 0.00 C ATOM 0 HA PRO A 38 -11.289 4.911 -9.071 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -12.701 2.826 -7.947 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -12.313 2.845 -9.656 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -10.869 1.374 -7.408 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -11.259 0.789 -9.013 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -8.760 1.747 -8.430 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -9.456 1.948 -10.026 1.00 0.00 H new ATOM 621 N ASP A 39 -10.301 4.072 -6.068 1.00 0.00 N ATOM 622 CA ASP A 39 -10.189 4.620 -4.719 1.00 0.00 C ATOM 623 C ASP A 39 -9.250 5.821 -4.767 1.00 0.00 C ATOM 624 O ASP A 39 -8.028 5.663 -4.755 1.00 0.00 O ATOM 625 CB ASP A 39 -9.680 3.576 -3.715 1.00 0.00 C ATOM 626 CG ASP A 39 -9.420 4.192 -2.324 1.00 0.00 C ATOM 627 OD1 ASP A 39 -9.887 5.320 -2.042 1.00 0.00 O ATOM 628 OD2 ASP A 39 -8.768 3.521 -1.493 1.00 0.00 O ATOM 0 H ASP A 39 -9.730 3.241 -6.224 1.00 0.00 H new ATOM 0 HA ASP A 39 -11.178 4.924 -4.377 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -10.411 2.773 -3.625 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -8.760 3.129 -4.092 1.00 0.00 H new ATOM 633 N LYS A 40 -9.812 7.029 -4.841 1.00 0.00 N ATOM 634 CA LYS A 40 -9.020 8.249 -4.959 1.00 0.00 C ATOM 635 C LYS A 40 -8.163 8.565 -3.727 1.00 0.00 C ATOM 636 O LYS A 40 -7.322 9.461 -3.805 1.00 0.00 O ATOM 637 CB LYS A 40 -9.906 9.425 -5.401 1.00 0.00 C ATOM 638 CG LYS A 40 -10.970 9.857 -4.378 1.00 0.00 C ATOM 639 CD LYS A 40 -11.738 11.107 -4.837 1.00 0.00 C ATOM 640 CE LYS A 40 -12.561 10.870 -6.114 1.00 0.00 C ATOM 641 NZ LYS A 40 -13.266 12.098 -6.558 1.00 0.00 N ATOM 0 H LYS A 40 -10.820 7.186 -4.821 1.00 0.00 H new ATOM 0 HA LYS A 40 -8.284 8.072 -5.743 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -9.266 10.280 -5.621 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -10.406 9.154 -6.331 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -11.672 9.039 -4.218 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -10.491 10.058 -3.420 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -12.404 11.432 -4.037 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -11.031 11.918 -5.012 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -11.903 10.522 -6.910 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -13.289 10.079 -5.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -13.849 11.882 -7.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -13.876 12.445 -5.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -12.568 12.829 -6.804 1.00 0.00 H new ATOM 655 N ASN A 41 -8.343 7.868 -2.597 1.00 0.00 N ATOM 656 CA ASN A 41 -7.429 8.016 -1.466 1.00 0.00 C ATOM 657 C ASN A 41 -6.130 7.229 -1.684 1.00 0.00 C ATOM 658 O ASN A 41 -5.135 7.506 -1.017 1.00 0.00 O ATOM 659 CB ASN A 41 -8.106 7.595 -0.152 1.00 0.00 C ATOM 660 CG ASN A 41 -7.168 7.739 1.046 1.00 0.00 C ATOM 661 OD1 ASN A 41 -6.819 6.757 1.696 1.00 0.00 O ATOM 662 ND2 ASN A 41 -6.744 8.949 1.373 1.00 0.00 N ATOM 0 H ASN A 41 -9.104 7.206 -2.446 1.00 0.00 H new ATOM 0 HA ASN A 41 -7.168 9.072 -1.394 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -8.996 8.204 0.009 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -8.438 6.560 -0.230 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -6.121 9.073 2.171 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -7.040 9.758 0.827 1.00 0.00 H new ATOM 669 N ASP A 42 -6.110 6.247 -2.592 1.00 0.00 N ATOM 670 CA ASP A 42 -4.909 5.452 -2.850 1.00 0.00 C ATOM 671 C ASP A 42 -3.800 6.324 -3.447 1.00 0.00 C ATOM 672 O ASP A 42 -4.084 7.283 -4.171 1.00 0.00 O ATOM 673 CB ASP A 42 -5.216 4.280 -3.783 1.00 0.00 C ATOM 674 CG ASP A 42 -4.009 3.342 -3.848 1.00 0.00 C ATOM 675 OD1 ASP A 42 -3.609 2.841 -2.774 1.00 0.00 O ATOM 676 OD2 ASP A 42 -3.474 3.110 -4.953 1.00 0.00 O ATOM 0 H ASP A 42 -6.915 5.985 -3.161 1.00 0.00 H new ATOM 0 HA ASP A 42 -4.564 5.051 -1.897 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -6.091 3.738 -3.425 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -5.456 4.650 -4.780 1.00 0.00 H new ATOM 681 N THR A 43 -2.540 6.015 -3.135 1.00 0.00 N ATOM 682 CA THR A 43 -1.410 6.850 -3.525 1.00 0.00 C ATOM 683 C THR A 43 -1.186 6.746 -5.039 1.00 0.00 C ATOM 684 O THR A 43 -1.176 5.643 -5.591 1.00 0.00 O ATOM 685 CB THR A 43 -0.139 6.441 -2.756 1.00 0.00 C ATOM 686 OG1 THR A 43 -0.430 6.001 -1.441 1.00 0.00 O ATOM 687 CG2 THR A 43 0.877 7.585 -2.681 1.00 0.00 C ATOM 0 H THR A 43 -2.278 5.182 -2.607 1.00 0.00 H new ATOM 0 HA THR A 43 -1.634 7.886 -3.273 1.00 0.00 H new ATOM 0 HB THR A 43 0.294 5.614 -3.319 1.00 0.00 H new ATOM 0 HG1 THR A 43 -0.536 5.027 -1.438 1.00 0.00 H new ATOM 0 HG21 THR A 43 1.758 7.254 -2.131 1.00 0.00 H new ATOM 0 HG22 THR A 43 1.169 7.879 -3.689 1.00 0.00 H new ATOM 0 HG23 THR A 43 0.429 8.437 -2.170 1.00 0.00 H new ATOM 695 N VAL A 44 -0.913 7.868 -5.705 1.00 0.00 N ATOM 696 CA VAL A 44 -0.576 7.906 -7.123 1.00 0.00 C ATOM 697 C VAL A 44 0.724 8.690 -7.266 1.00 0.00 C ATOM 698 O VAL A 44 0.938 9.690 -6.579 1.00 0.00 O ATOM 699 CB VAL A 44 -1.746 8.502 -7.941 1.00 0.00 C ATOM 700 CG1 VAL A 44 -1.434 8.543 -9.444 1.00 0.00 C ATOM 701 CG2 VAL A 44 -3.044 7.701 -7.756 1.00 0.00 C ATOM 0 H VAL A 44 -0.921 8.788 -5.265 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.421 6.904 -7.524 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.878 9.515 -7.561 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -2.282 8.968 -9.980 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -0.551 9.158 -9.616 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -1.247 7.531 -9.805 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.839 8.155 -8.348 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.888 6.674 -8.085 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.328 7.706 -6.704 1.00 0.00 H new ATOM 711 N LYS A 45 1.598 8.241 -8.164 1.00 0.00 N ATOM 712 CA LYS A 45 2.859 8.907 -8.456 1.00 0.00 C ATOM 713 C LYS A 45 2.949 9.048 -9.962 1.00 0.00 C ATOM 714 O LYS A 45 2.767 8.071 -10.690 1.00 0.00 O ATOM 715 CB LYS A 45 4.040 8.116 -7.872 1.00 0.00 C ATOM 716 CG LYS A 45 4.101 8.271 -6.345 1.00 0.00 C ATOM 717 CD LYS A 45 5.243 7.454 -5.732 1.00 0.00 C ATOM 718 CE LYS A 45 5.338 7.763 -4.232 1.00 0.00 C ATOM 719 NZ LYS A 45 6.253 6.838 -3.525 1.00 0.00 N ATOM 0 H LYS A 45 1.446 7.395 -8.714 1.00 0.00 H new ATOM 0 HA LYS A 45 2.902 9.893 -7.993 1.00 0.00 H new ATOM 0 HB2 LYS A 45 3.941 7.062 -8.131 1.00 0.00 H new ATOM 0 HB3 LYS A 45 4.972 8.466 -8.315 1.00 0.00 H new ATOM 0 HG2 LYS A 45 4.231 9.323 -6.092 1.00 0.00 H new ATOM 0 HG3 LYS A 45 3.153 7.953 -5.910 1.00 0.00 H new ATOM 0 HD2 LYS A 45 5.067 6.389 -5.885 1.00 0.00 H new ATOM 0 HD3 LYS A 45 6.184 7.696 -6.225 1.00 0.00 H new ATOM 0 HE2 LYS A 45 5.684 8.788 -4.095 1.00 0.00 H new ATOM 0 HE3 LYS A 45 4.345 7.700 -3.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 6.579 7.280 -2.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 5.751 5.954 -3.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 7.072 6.630 -4.131 1.00 0.00 H new ATOM 733 N VAL A 46 3.216 10.266 -10.415 1.00 0.00 N ATOM 734 CA VAL A 46 3.309 10.611 -11.827 1.00 0.00 C ATOM 735 C VAL A 46 4.710 11.160 -12.113 1.00 0.00 C ATOM 736 O VAL A 46 5.376 11.677 -11.214 1.00 0.00 O ATOM 737 CB VAL A 46 2.166 11.571 -12.231 1.00 0.00 C ATOM 738 CG1 VAL A 46 0.809 10.856 -12.190 1.00 0.00 C ATOM 739 CG2 VAL A 46 2.052 12.835 -11.366 1.00 0.00 C ATOM 0 H VAL A 46 3.378 11.060 -9.796 1.00 0.00 H new ATOM 0 HA VAL A 46 3.176 9.726 -12.449 1.00 0.00 H new ATOM 0 HB VAL A 46 2.427 11.884 -13.242 1.00 0.00 H new ATOM 0 HG11 VAL A 46 0.022 11.553 -12.478 1.00 0.00 H new ATOM 0 HG12 VAL A 46 0.820 10.014 -12.883 1.00 0.00 H new ATOM 0 HG13 VAL A 46 0.620 10.492 -11.180 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.224 13.447 -11.723 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.872 12.551 -10.329 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.979 13.405 -11.431 1.00 0.00 H new ATOM 749 N TYR A 47 5.159 11.030 -13.360 1.00 0.00 N ATOM 750 CA TYR A 47 6.445 11.485 -13.872 1.00 0.00 C ATOM 751 C TYR A 47 6.284 11.680 -15.385 1.00 0.00 C ATOM 752 O TYR A 47 5.354 11.126 -15.987 1.00 0.00 O ATOM 753 CB TYR A 47 7.544 10.442 -13.585 1.00 0.00 C ATOM 754 CG TYR A 47 7.354 9.143 -14.350 1.00 0.00 C ATOM 755 CD1 TYR A 47 6.398 8.203 -13.917 1.00 0.00 C ATOM 756 CD2 TYR A 47 8.067 8.919 -15.545 1.00 0.00 C ATOM 757 CE1 TYR A 47 6.145 7.046 -14.672 1.00 0.00 C ATOM 758 CE2 TYR A 47 7.823 7.759 -16.299 1.00 0.00 C ATOM 759 CZ TYR A 47 6.869 6.819 -15.864 1.00 0.00 C ATOM 760 OH TYR A 47 6.691 5.684 -16.591 1.00 0.00 O ATOM 0 H TYR A 47 4.599 10.576 -14.082 1.00 0.00 H new ATOM 0 HA TYR A 47 6.742 12.415 -13.387 1.00 0.00 H new ATOM 0 HB2 TYR A 47 8.515 10.867 -13.840 1.00 0.00 H new ATOM 0 HB3 TYR A 47 7.561 10.227 -12.517 1.00 0.00 H new ATOM 0 HD1 TYR A 47 5.856 8.373 -12.998 1.00 0.00 H new ATOM 0 HD2 TYR A 47 8.800 9.638 -15.880 1.00 0.00 H new ATOM 0 HE1 TYR A 47 5.402 6.334 -14.344 1.00 0.00 H new ATOM 0 HE2 TYR A 47 8.369 7.588 -17.215 1.00 0.00 H new ATOM 0 HH TYR A 47 7.105 5.792 -17.473 1.00 0.00 H new ATOM 770 N CYS A 48 7.188 12.432 -16.015 1.00 0.00 N ATOM 771 CA CYS A 48 7.250 12.565 -17.465 1.00 0.00 C ATOM 772 C CYS A 48 8.650 13.015 -17.880 1.00 0.00 C ATOM 773 O CYS A 48 9.449 13.421 -17.038 1.00 0.00 O ATOM 774 CB CYS A 48 6.182 13.559 -17.956 1.00 0.00 C ATOM 775 SG CYS A 48 6.526 15.224 -17.335 1.00 0.00 S ATOM 0 H CYS A 48 7.903 12.970 -15.525 1.00 0.00 H new ATOM 0 HA CYS A 48 7.045 11.598 -17.925 1.00 0.00 H new ATOM 0 HB2 CYS A 48 6.161 13.569 -19.046 1.00 0.00 H new ATOM 0 HB3 CYS A 48 5.196 13.237 -17.621 1.00 0.00 H new ATOM 0 HG CYS A 48 6.378 15.245 -16.044 1.00 0.00 H new ATOM 781 N ASN A 49 8.924 13.016 -19.183 1.00 0.00 N ATOM 782 CA ASN A 49 10.195 13.394 -19.802 1.00 0.00 C ATOM 783 C ASN A 49 10.779 14.724 -19.300 1.00 0.00 C ATOM 784 O ASN A 49 12.002 14.858 -19.258 1.00 0.00 O ATOM 785 CB ASN A 49 9.998 13.444 -21.327 1.00 0.00 C ATOM 786 CG ASN A 49 11.295 13.799 -22.051 1.00 0.00 C ATOM 787 OD1 ASN A 49 11.494 14.935 -22.469 1.00 0.00 O ATOM 788 ND2 ASN A 49 12.198 12.845 -22.214 1.00 0.00 N ATOM 0 H ASN A 49 8.227 12.738 -19.874 1.00 0.00 H new ATOM 0 HA ASN A 49 10.925 12.637 -19.516 1.00 0.00 H new ATOM 0 HB2 ASN A 49 9.637 12.478 -21.679 1.00 0.00 H new ATOM 0 HB3 ASN A 49 9.231 14.179 -21.571 1.00 0.00 H new ATOM 0 HD21 ASN A 49 13.075 13.049 -22.693 1.00 0.00 H new ATOM 0 HD22 ASN A 49 12.017 11.906 -21.860 1.00 0.00 H new ATOM 795 N ALA A 50 9.934 15.685 -18.899 1.00 0.00 N ATOM 796 CA ALA A 50 10.354 17.038 -18.522 1.00 0.00 C ATOM 797 C ALA A 50 9.892 17.453 -17.114 1.00 0.00 C ATOM 798 O ALA A 50 10.117 18.596 -16.715 1.00 0.00 O ATOM 799 CB ALA A 50 9.844 18.019 -19.587 1.00 0.00 C ATOM 0 H ALA A 50 8.927 15.540 -18.827 1.00 0.00 H new ATOM 0 HA ALA A 50 11.443 17.055 -18.479 1.00 0.00 H new ATOM 0 HB1 ALA A 50 10.147 19.032 -19.323 1.00 0.00 H new ATOM 0 HB2 ALA A 50 10.266 17.755 -20.557 1.00 0.00 H new ATOM 0 HB3 ALA A 50 8.756 17.967 -19.638 1.00 0.00 H new ATOM 805 N GLY A 51 9.215 16.575 -16.366 1.00 0.00 N ATOM 806 CA GLY A 51 8.684 16.826 -15.024 1.00 0.00 C ATOM 807 C GLY A 51 7.450 17.734 -15.004 1.00 0.00 C ATOM 808 O GLY A 51 6.580 17.560 -14.150 1.00 0.00 O ATOM 0 H GLY A 51 9.014 15.630 -16.694 1.00 0.00 H new ATOM 0 HA2 GLY A 51 8.429 15.873 -14.561 1.00 0.00 H new ATOM 0 HA3 GLY A 51 9.466 17.278 -14.413 1.00 0.00 H new ATOM 812 N ARG A 52 7.336 18.686 -15.936 1.00 0.00 N ATOM 813 CA ARG A 52 6.229 19.637 -15.989 1.00 0.00 C ATOM 814 C ARG A 52 4.902 18.935 -16.234 1.00 0.00 C ATOM 815 O ARG A 52 3.963 19.174 -15.485 1.00 0.00 O ATOM 816 CB ARG A 52 6.519 20.717 -17.053 1.00 0.00 C ATOM 817 CG ARG A 52 5.345 21.662 -17.388 1.00 0.00 C ATOM 818 CD ARG A 52 4.678 22.366 -16.194 1.00 0.00 C ATOM 819 NE ARG A 52 5.619 23.167 -15.395 1.00 0.00 N ATOM 820 CZ ARG A 52 5.322 23.768 -14.234 1.00 0.00 C ATOM 821 NH1 ARG A 52 4.091 23.706 -13.728 1.00 0.00 N ATOM 822 NH2 ARG A 52 6.267 24.435 -13.579 1.00 0.00 N ATOM 0 H ARG A 52 8.020 18.816 -16.682 1.00 0.00 H new ATOM 0 HA ARG A 52 6.142 20.129 -15.020 1.00 0.00 H new ATOM 0 HB2 ARG A 52 7.360 21.320 -16.711 1.00 0.00 H new ATOM 0 HB3 ARG A 52 6.835 20.221 -17.971 1.00 0.00 H new ATOM 0 HG2 ARG A 52 5.706 22.425 -18.078 1.00 0.00 H new ATOM 0 HG3 ARG A 52 4.584 21.088 -17.917 1.00 0.00 H new ATOM 0 HD2 ARG A 52 3.881 23.012 -16.561 1.00 0.00 H new ATOM 0 HD3 ARG A 52 4.212 21.618 -15.553 1.00 0.00 H new ATOM 0 HE ARG A 52 6.569 23.273 -15.751 1.00 0.00 H new ATOM 0 HH11 ARG A 52 3.360 23.196 -14.225 1.00 0.00 H new ATOM 0 HH12 ARG A 52 3.879 24.168 -12.844 1.00 0.00 H new ATOM 0 HH21 ARG A 52 7.212 24.487 -13.960 1.00 0.00 H new ATOM 0 HH22 ARG A 52 6.047 24.894 -12.695 1.00 0.00 H new ATOM 836 N GLN A 53 4.793 18.098 -17.267 1.00 0.00 N ATOM 837 CA GLN A 53 3.499 17.546 -17.671 1.00 0.00 C ATOM 838 C GLN A 53 2.902 16.677 -16.555 1.00 0.00 C ATOM 839 O GLN A 53 1.695 16.720 -16.324 1.00 0.00 O ATOM 840 CB GLN A 53 3.622 16.780 -19.002 1.00 0.00 C ATOM 841 CG GLN A 53 4.060 17.688 -20.165 1.00 0.00 C ATOM 842 CD GLN A 53 4.186 16.921 -21.482 1.00 0.00 C ATOM 843 OE1 GLN A 53 5.283 16.596 -21.930 1.00 0.00 O ATOM 844 NE2 GLN A 53 3.076 16.602 -22.130 1.00 0.00 N ATOM 0 H GLN A 53 5.581 17.789 -17.836 1.00 0.00 H new ATOM 0 HA GLN A 53 2.807 18.371 -17.838 1.00 0.00 H new ATOM 0 HB2 GLN A 53 4.342 15.970 -18.886 1.00 0.00 H new ATOM 0 HB3 GLN A 53 2.663 16.322 -19.244 1.00 0.00 H new ATOM 0 HG2 GLN A 53 3.338 18.496 -20.285 1.00 0.00 H new ATOM 0 HG3 GLN A 53 5.017 18.150 -19.923 1.00 0.00 H new ATOM 0 HE21 GLN A 53 2.169 16.875 -21.752 1.00 0.00 H new ATOM 0 HE22 GLN A 53 3.128 16.083 -23.007 1.00 0.00 H new ATOM 853 N SER A 54 3.730 15.949 -15.805 1.00 0.00 N ATOM 854 CA SER A 54 3.282 15.214 -14.633 1.00 0.00 C ATOM 855 C SER A 54 2.949 16.152 -13.472 1.00 0.00 C ATOM 856 O SER A 54 2.001 15.885 -12.740 1.00 0.00 O ATOM 857 CB SER A 54 4.324 14.159 -14.274 1.00 0.00 C ATOM 858 OG SER A 54 5.644 14.662 -14.369 1.00 0.00 O ATOM 0 H SER A 54 4.727 15.856 -15.997 1.00 0.00 H new ATOM 0 HA SER A 54 2.349 14.698 -14.860 1.00 0.00 H new ATOM 0 HB2 SER A 54 4.144 13.803 -13.260 1.00 0.00 H new ATOM 0 HB3 SER A 54 4.215 13.301 -14.937 1.00 0.00 H new ATOM 0 HG SER A 54 5.955 14.935 -13.481 1.00 0.00 H new ATOM 864 N GLY A 55 3.653 17.277 -13.332 1.00 0.00 N ATOM 865 CA GLY A 55 3.278 18.354 -12.424 1.00 0.00 C ATOM 866 C GLY A 55 1.846 18.823 -12.696 1.00 0.00 C ATOM 867 O GLY A 55 1.043 18.935 -11.768 1.00 0.00 O ATOM 0 H GLY A 55 4.509 17.464 -13.854 1.00 0.00 H new ATOM 0 HA2 GLY A 55 3.363 18.012 -11.393 1.00 0.00 H new ATOM 0 HA3 GLY A 55 3.967 19.190 -12.541 1.00 0.00 H new ATOM 871 N GLN A 56 1.493 19.023 -13.970 1.00 0.00 N ATOM 872 CA GLN A 56 0.145 19.426 -14.359 1.00 0.00 C ATOM 873 C GLN A 56 -0.852 18.324 -14.009 1.00 0.00 C ATOM 874 O GLN A 56 -1.860 18.596 -13.360 1.00 0.00 O ATOM 875 CB GLN A 56 0.049 19.746 -15.852 1.00 0.00 C ATOM 876 CG GLN A 56 1.024 20.846 -16.274 1.00 0.00 C ATOM 877 CD GLN A 56 0.825 22.184 -15.562 1.00 0.00 C ATOM 878 OE1 GLN A 56 1.701 22.643 -14.831 1.00 0.00 O ATOM 879 NE2 GLN A 56 -0.309 22.839 -15.749 1.00 0.00 N ATOM 0 H GLN A 56 2.134 18.910 -14.755 1.00 0.00 H new ATOM 0 HA GLN A 56 -0.094 20.334 -13.806 1.00 0.00 H new ATOM 0 HB2 GLN A 56 0.252 18.843 -16.428 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -0.969 20.055 -16.090 1.00 0.00 H new ATOM 0 HG2 GLN A 56 2.041 20.500 -16.091 1.00 0.00 H new ATOM 0 HG3 GLN A 56 0.929 21.004 -17.348 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -1.029 22.449 -16.357 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -0.464 23.734 -15.285 1.00 0.00 H new ATOM 888 N ALA A 57 -0.556 17.075 -14.392 1.00 0.00 N ATOM 889 CA ALA A 57 -1.423 15.940 -14.097 1.00 0.00 C ATOM 890 C ALA A 57 -1.658 15.811 -12.593 1.00 0.00 C ATOM 891 O ALA A 57 -2.763 15.483 -12.170 1.00 0.00 O ATOM 892 CB ALA A 57 -0.819 14.641 -14.640 1.00 0.00 C ATOM 0 H ALA A 57 0.287 16.830 -14.911 1.00 0.00 H new ATOM 0 HA ALA A 57 -2.380 16.117 -14.587 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -1.482 13.807 -14.409 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -0.698 14.720 -15.720 1.00 0.00 H new ATOM 0 HB3 ALA A 57 0.153 14.471 -14.177 1.00 0.00 H new ATOM 898 N LYS A 58 -0.640 16.100 -11.782 1.00 0.00 N ATOM 899 CA LYS A 58 -0.756 15.990 -10.330 1.00 0.00 C ATOM 900 C LYS A 58 -1.791 16.991 -9.825 1.00 0.00 C ATOM 901 O LYS A 58 -2.614 16.645 -8.975 1.00 0.00 O ATOM 902 CB LYS A 58 0.630 16.138 -9.670 1.00 0.00 C ATOM 903 CG LYS A 58 0.575 16.029 -8.137 1.00 0.00 C ATOM 904 CD LYS A 58 0.447 17.392 -7.442 1.00 0.00 C ATOM 905 CE LYS A 58 -0.242 17.220 -6.086 1.00 0.00 C ATOM 906 NZ LYS A 58 -0.551 18.529 -5.464 1.00 0.00 N ATOM 0 H LYS A 58 0.275 16.412 -12.108 1.00 0.00 H new ATOM 0 HA LYS A 58 -1.115 15.000 -10.049 1.00 0.00 H new ATOM 0 HB2 LYS A 58 1.297 15.370 -10.061 1.00 0.00 H new ATOM 0 HB3 LYS A 58 1.058 17.102 -9.946 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -0.270 15.402 -7.853 1.00 0.00 H new ATOM 0 HG3 LYS A 58 1.476 15.529 -7.781 1.00 0.00 H new ATOM 0 HD2 LYS A 58 1.434 17.835 -7.305 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -0.126 18.077 -8.067 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -1.163 16.650 -6.214 1.00 0.00 H new ATOM 0 HE3 LYS A 58 0.400 16.643 -5.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -1.292 18.405 -4.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 0.306 18.911 -5.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -0.884 19.190 -6.194 1.00 0.00 H new ATOM 920 N GLU A 59 -1.786 18.215 -10.348 1.00 0.00 N ATOM 921 CA GLU A 59 -2.763 19.223 -9.959 1.00 0.00 C ATOM 922 C GLU A 59 -4.154 18.871 -10.496 1.00 0.00 C ATOM 923 O GLU A 59 -5.135 19.096 -9.788 1.00 0.00 O ATOM 924 CB GLU A 59 -2.308 20.616 -10.418 1.00 0.00 C ATOM 925 CG GLU A 59 -1.087 21.127 -9.634 1.00 0.00 C ATOM 926 CD GLU A 59 -1.407 21.392 -8.151 1.00 0.00 C ATOM 927 OE1 GLU A 59 -1.263 20.466 -7.320 1.00 0.00 O ATOM 928 OE2 GLU A 59 -1.790 22.534 -7.805 1.00 0.00 O ATOM 0 H GLU A 59 -1.112 18.531 -11.045 1.00 0.00 H new ATOM 0 HA GLU A 59 -2.833 19.240 -8.871 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -2.066 20.583 -11.480 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -3.132 21.320 -10.300 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -0.282 20.395 -9.704 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -0.723 22.046 -10.094 1.00 0.00 H new ATOM 935 N ILE A 60 -4.264 18.265 -11.686 1.00 0.00 N ATOM 936 CA ILE A 60 -5.542 17.763 -12.198 1.00 0.00 C ATOM 937 C ILE A 60 -6.106 16.738 -11.208 1.00 0.00 C ATOM 938 O ILE A 60 -7.261 16.855 -10.799 1.00 0.00 O ATOM 939 CB ILE A 60 -5.388 17.179 -13.626 1.00 0.00 C ATOM 940 CG1 ILE A 60 -5.052 18.288 -14.647 1.00 0.00 C ATOM 941 CG2 ILE A 60 -6.660 16.435 -14.072 1.00 0.00 C ATOM 942 CD1 ILE A 60 -4.749 17.754 -16.055 1.00 0.00 C ATOM 0 H ILE A 60 -3.476 18.111 -12.315 1.00 0.00 H new ATOM 0 HA ILE A 60 -6.250 18.587 -12.285 1.00 0.00 H new ATOM 0 HB ILE A 60 -4.564 16.467 -13.591 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -5.889 18.984 -14.704 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -4.191 18.852 -14.288 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -6.516 16.039 -15.077 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -6.861 15.614 -13.384 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -7.504 17.125 -14.071 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -4.522 18.588 -16.719 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -3.893 17.080 -16.012 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -5.617 17.214 -16.434 1.00 0.00 H new ATOM 954 N LEU A 61 -5.309 15.748 -10.792 1.00 0.00 N ATOM 955 CA LEU A 61 -5.790 14.713 -9.882 1.00 0.00 C ATOM 956 C LEU A 61 -6.141 15.309 -8.517 1.00 0.00 C ATOM 957 O LEU A 61 -7.113 14.879 -7.895 1.00 0.00 O ATOM 958 CB LEU A 61 -4.770 13.570 -9.739 1.00 0.00 C ATOM 959 CG LEU A 61 -4.478 12.762 -11.025 1.00 0.00 C ATOM 960 CD1 LEU A 61 -3.776 11.444 -10.674 1.00 0.00 C ATOM 961 CD2 LEU A 61 -5.734 12.455 -11.846 1.00 0.00 C ATOM 0 H LEU A 61 -4.333 15.645 -11.071 1.00 0.00 H new ATOM 0 HA LEU A 61 -6.698 14.290 -10.312 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.832 13.989 -9.375 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -5.129 12.882 -8.974 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.833 13.391 -11.639 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.576 10.884 -11.587 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.836 11.657 -10.165 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -4.417 10.853 -10.020 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -5.458 11.886 -12.734 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -6.429 11.871 -11.243 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.210 13.389 -12.146 1.00 0.00 H new ATOM 973 N SER A 62 -5.402 16.326 -8.071 1.00 0.00 N ATOM 974 CA SER A 62 -5.716 17.044 -6.843 1.00 0.00 C ATOM 975 C SER A 62 -7.074 17.748 -6.959 1.00 0.00 C ATOM 976 O SER A 62 -7.867 17.698 -6.020 1.00 0.00 O ATOM 977 CB SER A 62 -4.600 18.042 -6.519 1.00 0.00 C ATOM 978 OG SER A 62 -3.343 17.389 -6.471 1.00 0.00 O ATOM 0 H SER A 62 -4.572 16.672 -8.552 1.00 0.00 H new ATOM 0 HA SER A 62 -5.784 16.328 -6.024 1.00 0.00 H new ATOM 0 HB2 SER A 62 -4.578 18.829 -7.273 1.00 0.00 H new ATOM 0 HB3 SER A 62 -4.802 18.523 -5.562 1.00 0.00 H new ATOM 0 HG SER A 62 -3.028 17.218 -7.383 1.00 0.00 H new ATOM 984 N GLU A 63 -7.388 18.350 -8.112 1.00 0.00 N ATOM 985 CA GLU A 63 -8.678 18.987 -8.365 1.00 0.00 C ATOM 986 C GLU A 63 -9.802 17.938 -8.411 1.00 0.00 C ATOM 987 O GLU A 63 -10.898 18.187 -7.906 1.00 0.00 O ATOM 988 CB GLU A 63 -8.595 19.810 -9.662 1.00 0.00 C ATOM 989 CG GLU A 63 -9.842 20.675 -9.888 1.00 0.00 C ATOM 990 CD GLU A 63 -9.686 21.578 -11.125 1.00 0.00 C ATOM 991 OE1 GLU A 63 -10.065 21.161 -12.243 1.00 0.00 O ATOM 992 OE2 GLU A 63 -9.208 22.728 -10.990 1.00 0.00 O ATOM 0 H GLU A 63 -6.745 18.407 -8.901 1.00 0.00 H new ATOM 0 HA GLU A 63 -8.919 19.667 -7.548 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -7.714 20.450 -9.627 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -8.466 19.136 -10.509 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -10.714 20.033 -10.013 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -10.023 21.291 -9.007 1.00 0.00 H new ATOM 999 N MET A 64 -9.522 16.739 -8.940 1.00 0.00 N ATOM 1000 CA MET A 64 -10.427 15.586 -8.882 1.00 0.00 C ATOM 1001 C MET A 64 -10.575 15.027 -7.455 1.00 0.00 C ATOM 1002 O MET A 64 -11.398 14.136 -7.231 1.00 0.00 O ATOM 1003 CB MET A 64 -9.952 14.478 -9.835 1.00 0.00 C ATOM 1004 CG MET A 64 -10.032 14.878 -11.312 1.00 0.00 C ATOM 1005 SD MET A 64 -9.451 13.589 -12.447 1.00 0.00 S ATOM 1006 CE MET A 64 -10.837 12.421 -12.360 1.00 0.00 C ATOM 0 H MET A 64 -8.648 16.541 -9.427 1.00 0.00 H new ATOM 0 HA MET A 64 -11.409 15.939 -9.198 1.00 0.00 H new ATOM 0 HB2 MET A 64 -8.923 14.215 -9.592 1.00 0.00 H new ATOM 0 HB3 MET A 64 -10.556 13.585 -9.674 1.00 0.00 H new ATOM 0 HG2 MET A 64 -11.065 15.127 -11.557 1.00 0.00 H new ATOM 0 HG3 MET A 64 -9.441 15.781 -11.468 1.00 0.00 H new ATOM 0 HE1 MET A 64 -10.490 11.474 -11.946 1.00 0.00 H new ATOM 0 HE2 MET A 64 -11.619 12.831 -11.721 1.00 0.00 H new ATOM 0 HE3 MET A 64 -11.236 12.255 -13.361 1.00 0.00 H new ATOM 1016 N GLY A 65 -9.806 15.526 -6.484 1.00 0.00 N ATOM 1017 CA GLY A 65 -9.944 15.184 -5.077 1.00 0.00 C ATOM 1018 C GLY A 65 -9.103 13.977 -4.667 1.00 0.00 C ATOM 1019 O GLY A 65 -9.319 13.451 -3.575 1.00 0.00 O ATOM 0 H GLY A 65 -9.056 16.193 -6.664 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -9.655 16.043 -4.471 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -10.992 14.979 -4.861 1.00 0.00 H new ATOM 1023 N TYR A 66 -8.171 13.510 -5.507 1.00 0.00 N ATOM 1024 CA TYR A 66 -7.214 12.489 -5.095 1.00 0.00 C ATOM 1025 C TYR A 66 -6.324 13.115 -4.021 1.00 0.00 C ATOM 1026 O TYR A 66 -5.663 14.125 -4.271 1.00 0.00 O ATOM 1027 CB TYR A 66 -6.387 11.962 -6.277 1.00 0.00 C ATOM 1028 CG TYR A 66 -7.110 11.017 -7.224 1.00 0.00 C ATOM 1029 CD1 TYR A 66 -8.157 11.478 -8.046 1.00 0.00 C ATOM 1030 CD2 TYR A 66 -6.748 9.655 -7.260 1.00 0.00 C ATOM 1031 CE1 TYR A 66 -8.881 10.577 -8.849 1.00 0.00 C ATOM 1032 CE2 TYR A 66 -7.461 8.750 -8.065 1.00 0.00 C ATOM 1033 CZ TYR A 66 -8.555 9.201 -8.838 1.00 0.00 C ATOM 1034 OH TYR A 66 -9.310 8.318 -9.546 1.00 0.00 O ATOM 0 H TYR A 66 -8.064 13.825 -6.471 1.00 0.00 H new ATOM 0 HA TYR A 66 -7.740 11.621 -4.699 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -6.026 12.815 -6.851 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -5.510 11.449 -5.882 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -8.406 12.529 -8.060 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -5.917 9.305 -6.665 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -9.685 10.936 -9.474 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -7.173 7.710 -8.093 1.00 0.00 H new ATOM 0 HH TYR A 66 -9.114 7.406 -9.246 1.00 0.00 H new ATOM 1044 N THR A 67 -6.331 12.548 -2.815 1.00 0.00 N ATOM 1045 CA THR A 67 -5.719 13.167 -1.642 1.00 0.00 C ATOM 1046 C THR A 67 -4.203 12.942 -1.575 1.00 0.00 C ATOM 1047 O THR A 67 -3.509 13.660 -0.850 1.00 0.00 O ATOM 1048 CB THR A 67 -6.403 12.602 -0.383 1.00 0.00 C ATOM 1049 OG1 THR A 67 -6.425 11.186 -0.428 1.00 0.00 O ATOM 1050 CG2 THR A 67 -7.857 13.065 -0.255 1.00 0.00 C ATOM 0 H THR A 67 -6.763 11.644 -2.625 1.00 0.00 H new ATOM 0 HA THR A 67 -5.863 14.245 -1.709 1.00 0.00 H new ATOM 0 HB THR A 67 -5.825 12.968 0.466 1.00 0.00 H new ATOM 0 HG1 THR A 67 -5.613 10.833 -0.008 1.00 0.00 H new ATOM 0 HG21 THR A 67 -8.296 12.640 0.648 1.00 0.00 H new ATOM 0 HG22 THR A 67 -7.889 14.153 -0.197 1.00 0.00 H new ATOM 0 HG23 THR A 67 -8.423 12.732 -1.125 1.00 0.00 H new ATOM 1058 N HIS A 68 -3.682 11.935 -2.284 1.00 0.00 N ATOM 1059 CA HIS A 68 -2.318 11.441 -2.131 1.00 0.00 C ATOM 1060 C HIS A 68 -1.707 11.269 -3.522 1.00 0.00 C ATOM 1061 O HIS A 68 -1.624 10.157 -4.046 1.00 0.00 O ATOM 1062 CB HIS A 68 -2.319 10.135 -1.306 1.00 0.00 C ATOM 1063 CG HIS A 68 -2.854 10.233 0.109 1.00 0.00 C ATOM 1064 ND1 HIS A 68 -3.035 11.373 0.864 1.00 0.00 N ATOM 1065 CD2 HIS A 68 -3.239 9.178 0.894 1.00 0.00 C ATOM 1066 CE1 HIS A 68 -3.533 11.015 2.059 1.00 0.00 C ATOM 1067 NE2 HIS A 68 -3.677 9.678 2.130 1.00 0.00 N ATOM 0 H HIS A 68 -4.213 11.432 -2.995 1.00 0.00 H new ATOM 0 HA HIS A 68 -1.703 12.152 -1.579 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -2.908 9.392 -1.843 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -1.297 9.759 -1.260 1.00 0.00 H new ATOM 0 HD1 HIS A 68 -2.826 12.326 0.566 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -3.210 8.137 0.609 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -3.783 11.704 2.852 1.00 0.00 H new ATOM 1075 N VAL A 69 -1.308 12.380 -4.143 1.00 0.00 N ATOM 1076 CA VAL A 69 -0.678 12.384 -5.458 1.00 0.00 C ATOM 1077 C VAL A 69 0.589 13.215 -5.364 1.00 0.00 C ATOM 1078 O VAL A 69 0.612 14.248 -4.689 1.00 0.00 O ATOM 1079 CB VAL A 69 -1.632 12.915 -6.549 1.00 0.00 C ATOM 1080 CG1 VAL A 69 -1.083 12.633 -7.959 1.00 0.00 C ATOM 1081 CG2 VAL A 69 -3.031 12.298 -6.445 1.00 0.00 C ATOM 0 H VAL A 69 -1.416 13.311 -3.740 1.00 0.00 H new ATOM 0 HA VAL A 69 -0.431 11.364 -5.753 1.00 0.00 H new ATOM 0 HB VAL A 69 -1.704 13.990 -6.386 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -1.778 13.019 -8.704 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -0.116 13.122 -8.077 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -0.966 11.558 -8.095 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -3.666 12.702 -7.233 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -2.960 11.216 -6.555 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -3.463 12.537 -5.473 1.00 0.00 H new ATOM 1091 N GLU A 70 1.634 12.772 -6.056 1.00 0.00 N ATOM 1092 CA GLU A 70 2.913 13.447 -6.090 1.00 0.00 C ATOM 1093 C GLU A 70 3.463 13.376 -7.513 1.00 0.00 C ATOM 1094 O GLU A 70 3.334 12.355 -8.195 1.00 0.00 O ATOM 1095 CB GLU A 70 3.840 12.782 -5.059 1.00 0.00 C ATOM 1096 CG GLU A 70 5.243 13.393 -4.998 1.00 0.00 C ATOM 1097 CD GLU A 70 5.234 14.887 -4.619 1.00 0.00 C ATOM 1098 OE1 GLU A 70 4.896 15.730 -5.481 1.00 0.00 O ATOM 1099 OE2 GLU A 70 5.571 15.225 -3.462 1.00 0.00 O ATOM 0 H GLU A 70 1.609 11.920 -6.616 1.00 0.00 H new ATOM 0 HA GLU A 70 2.825 14.501 -5.825 1.00 0.00 H new ATOM 0 HB2 GLU A 70 3.381 12.853 -4.073 1.00 0.00 H new ATOM 0 HB3 GLU A 70 3.927 11.721 -5.294 1.00 0.00 H new ATOM 0 HG2 GLU A 70 5.841 12.843 -4.271 1.00 0.00 H new ATOM 0 HG3 GLU A 70 5.728 13.273 -5.967 1.00 0.00 H new ATOM 1106 N ASN A 71 4.078 14.475 -7.947 1.00 0.00 N ATOM 1107 CA ASN A 71 4.855 14.526 -9.173 1.00 0.00 C ATOM 1108 C ASN A 71 6.284 14.207 -8.775 1.00 0.00 C ATOM 1109 O ASN A 71 6.966 15.036 -8.167 1.00 0.00 O ATOM 1110 CB ASN A 71 4.778 15.899 -9.843 1.00 0.00 C ATOM 1111 CG ASN A 71 5.744 15.965 -11.022 1.00 0.00 C ATOM 1112 OD1 ASN A 71 5.966 14.980 -11.719 1.00 0.00 O ATOM 1113 ND2 ASN A 71 6.338 17.110 -11.288 1.00 0.00 N ATOM 0 H ASN A 71 4.047 15.363 -7.447 1.00 0.00 H new ATOM 0 HA ASN A 71 4.466 13.815 -9.902 1.00 0.00 H new ATOM 0 HB2 ASN A 71 3.761 16.088 -10.186 1.00 0.00 H new ATOM 0 HB3 ASN A 71 5.021 16.678 -9.121 1.00 0.00 H new ATOM 0 HD21 ASN A 71 6.984 17.179 -12.075 1.00 0.00 H new ATOM 0 HD22 ASN A 71 6.152 17.928 -10.707 1.00 0.00 H new ATOM 1120 N ALA A 72 6.706 12.979 -9.054 1.00 0.00 N ATOM 1121 CA ALA A 72 7.974 12.456 -8.591 1.00 0.00 C ATOM 1122 C ALA A 72 9.158 13.241 -9.170 1.00 0.00 C ATOM 1123 O ALA A 72 10.165 13.404 -8.480 1.00 0.00 O ATOM 1124 CB ALA A 72 8.049 10.982 -8.972 1.00 0.00 C ATOM 0 H ALA A 72 6.168 12.317 -9.613 1.00 0.00 H new ATOM 0 HA ALA A 72 8.037 12.563 -7.508 1.00 0.00 H new ATOM 0 HB1 ALA A 72 8.998 10.566 -8.633 1.00 0.00 H new ATOM 0 HB2 ALA A 72 7.227 10.442 -8.501 1.00 0.00 H new ATOM 0 HB3 ALA A 72 7.976 10.882 -10.055 1.00 0.00 H new ATOM 1130 N GLY A 73 9.041 13.738 -10.406 1.00 0.00 N ATOM 1131 CA GLY A 73 10.079 14.513 -11.071 1.00 0.00 C ATOM 1132 C GLY A 73 10.101 14.223 -12.567 1.00 0.00 C ATOM 1133 O GLY A 73 9.186 13.592 -13.107 1.00 0.00 O ATOM 0 H GLY A 73 8.206 13.607 -10.977 1.00 0.00 H new ATOM 0 HA2 GLY A 73 9.907 15.576 -10.905 1.00 0.00 H new ATOM 0 HA3 GLY A 73 11.050 14.276 -10.636 1.00 0.00 H new ATOM 1137 N GLY A 74 11.159 14.687 -13.235 1.00 0.00 N ATOM 1138 CA GLY A 74 11.439 14.302 -14.609 1.00 0.00 C ATOM 1139 C GLY A 74 11.887 12.841 -14.658 1.00 0.00 C ATOM 1140 O GLY A 74 12.454 12.338 -13.689 1.00 0.00 O ATOM 0 H GLY A 74 11.838 15.336 -12.837 1.00 0.00 H new ATOM 0 HA2 GLY A 74 10.549 14.440 -15.223 1.00 0.00 H new ATOM 0 HA3 GLY A 74 12.216 14.944 -15.025 1.00 0.00 H new ATOM 1144 N LEU A 75 11.671 12.170 -15.793 1.00 0.00 N ATOM 1145 CA LEU A 75 11.917 10.737 -16.006 1.00 0.00 C ATOM 1146 C LEU A 75 13.268 10.266 -15.457 1.00 0.00 C ATOM 1147 O LEU A 75 13.336 9.225 -14.804 1.00 0.00 O ATOM 1148 CB LEU A 75 11.799 10.444 -17.517 1.00 0.00 C ATOM 1149 CG LEU A 75 12.250 9.037 -17.972 1.00 0.00 C ATOM 1150 CD1 LEU A 75 11.433 7.911 -17.333 1.00 0.00 C ATOM 1151 CD2 LEU A 75 12.115 8.943 -19.496 1.00 0.00 C ATOM 0 H LEU A 75 11.304 12.629 -16.626 1.00 0.00 H new ATOM 0 HA LEU A 75 11.168 10.176 -15.447 1.00 0.00 H new ATOM 0 HB2 LEU A 75 10.760 10.584 -17.814 1.00 0.00 H new ATOM 0 HB3 LEU A 75 12.388 11.185 -18.058 1.00 0.00 H new ATOM 0 HG LEU A 75 13.284 8.909 -17.652 1.00 0.00 H new ATOM 0 HD11 LEU A 75 11.797 6.948 -17.692 1.00 0.00 H new ATOM 0 HD12 LEU A 75 11.536 7.957 -16.249 1.00 0.00 H new ATOM 0 HD13 LEU A 75 10.383 8.025 -17.603 1.00 0.00 H new ATOM 0 HD21 LEU A 75 12.431 7.954 -19.829 1.00 0.00 H new ATOM 0 HD22 LEU A 75 11.075 9.107 -19.780 1.00 0.00 H new ATOM 0 HD23 LEU A 75 12.743 9.701 -19.964 1.00 0.00 H new ATOM 1163 N LYS A 76 14.339 11.024 -15.712 1.00 0.00 N ATOM 1164 CA LYS A 76 15.691 10.641 -15.303 1.00 0.00 C ATOM 1165 C LYS A 76 15.857 10.648 -13.780 1.00 0.00 C ATOM 1166 O LYS A 76 16.738 9.954 -13.271 1.00 0.00 O ATOM 1167 CB LYS A 76 16.730 11.573 -15.952 1.00 0.00 C ATOM 1168 CG LYS A 76 16.768 11.433 -17.485 1.00 0.00 C ATOM 1169 CD LYS A 76 17.779 12.382 -18.151 1.00 0.00 C ATOM 1170 CE LYS A 76 19.247 12.150 -17.752 1.00 0.00 C ATOM 1171 NZ LYS A 76 19.779 10.843 -18.219 1.00 0.00 N ATOM 0 H LYS A 76 14.292 11.916 -16.205 1.00 0.00 H new ATOM 0 HA LYS A 76 15.856 9.620 -15.646 1.00 0.00 H new ATOM 0 HB2 LYS A 76 16.501 12.606 -15.690 1.00 0.00 H new ATOM 0 HB3 LYS A 76 17.717 11.352 -15.545 1.00 0.00 H new ATOM 0 HG2 LYS A 76 17.019 10.404 -17.744 1.00 0.00 H new ATOM 0 HG3 LYS A 76 15.774 11.630 -17.887 1.00 0.00 H new ATOM 0 HD2 LYS A 76 17.692 12.281 -19.233 1.00 0.00 H new ATOM 0 HD3 LYS A 76 17.509 13.409 -17.904 1.00 0.00 H new ATOM 0 HE2 LYS A 76 19.860 12.952 -18.162 1.00 0.00 H new ATOM 0 HE3 LYS A 76 19.335 12.205 -16.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 20.770 10.745 -17.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 19.215 10.072 -17.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 19.724 10.796 -19.256 1.00 0.00 H new ATOM 1185 N ASP A 77 15.059 11.433 -13.051 1.00 0.00 N ATOM 1186 CA ASP A 77 15.192 11.575 -11.605 1.00 0.00 C ATOM 1187 C ASP A 77 14.582 10.385 -10.865 1.00 0.00 C ATOM 1188 O ASP A 77 15.122 9.985 -9.832 1.00 0.00 O ATOM 1189 CB ASP A 77 14.535 12.872 -11.119 1.00 0.00 C ATOM 1190 CG ASP A 77 14.777 13.068 -9.613 1.00 0.00 C ATOM 1191 OD1 ASP A 77 15.911 13.427 -9.223 1.00 0.00 O ATOM 1192 OD2 ASP A 77 13.832 12.897 -8.812 1.00 0.00 O ATOM 0 H ASP A 77 14.302 11.988 -13.451 1.00 0.00 H new ATOM 0 HA ASP A 77 16.259 11.610 -11.385 1.00 0.00 H new ATOM 0 HB2 ASP A 77 14.939 13.720 -11.671 1.00 0.00 H new ATOM 0 HB3 ASP A 77 13.464 12.842 -11.320 1.00 0.00 H new ATOM 1197 N ILE A 78 13.489 9.797 -11.376 1.00 0.00 N ATOM 1198 CA ILE A 78 12.862 8.638 -10.746 1.00 0.00 C ATOM 1199 C ILE A 78 13.871 7.482 -10.789 1.00 0.00 C ATOM 1200 O ILE A 78 14.310 7.081 -11.869 1.00 0.00 O ATOM 1201 CB ILE A 78 11.509 8.289 -11.422 1.00 0.00 C ATOM 1202 CG1 ILE A 78 10.394 9.319 -11.138 1.00 0.00 C ATOM 1203 CG2 ILE A 78 10.985 6.938 -10.900 1.00 0.00 C ATOM 1204 CD1 ILE A 78 10.579 10.697 -11.775 1.00 0.00 C ATOM 0 H ILE A 78 13.024 10.111 -12.228 1.00 0.00 H new ATOM 0 HA ILE A 78 12.612 8.852 -9.707 1.00 0.00 H new ATOM 0 HB ILE A 78 11.722 8.273 -12.491 1.00 0.00 H new ATOM 0 HG12 ILE A 78 9.447 8.905 -11.484 1.00 0.00 H new ATOM 0 HG13 ILE A 78 10.311 9.447 -10.059 1.00 0.00 H new ATOM 0 HG21 ILE A 78 10.036 6.705 -11.382 1.00 0.00 H new ATOM 0 HG22 ILE A 78 11.709 6.155 -11.127 1.00 0.00 H new ATOM 0 HG23 ILE A 78 10.839 6.996 -9.821 1.00 0.00 H new ATOM 0 HD11 ILE A 78 9.738 11.337 -11.509 1.00 0.00 H new ATOM 0 HD12 ILE A 78 11.504 11.144 -11.412 1.00 0.00 H new ATOM 0 HD13 ILE A 78 10.627 10.593 -12.859 1.00 0.00 H new ATOM 1216 N ALA A 79 14.196 6.907 -9.625 1.00 0.00 N ATOM 1217 CA ALA A 79 15.194 5.844 -9.484 1.00 0.00 C ATOM 1218 C ALA A 79 14.552 4.458 -9.331 1.00 0.00 C ATOM 1219 O ALA A 79 15.158 3.528 -8.795 1.00 0.00 O ATOM 1220 CB ALA A 79 16.149 6.194 -8.334 1.00 0.00 C ATOM 0 H ALA A 79 13.764 7.173 -8.740 1.00 0.00 H new ATOM 0 HA ALA A 79 15.777 5.782 -10.403 1.00 0.00 H new ATOM 0 HB1 ALA A 79 16.893 5.405 -8.226 1.00 0.00 H new ATOM 0 HB2 ALA A 79 16.649 7.138 -8.551 1.00 0.00 H new ATOM 0 HB3 ALA A 79 15.583 6.288 -7.407 1.00 0.00 H new ATOM 1226 N MET A 80 13.315 4.331 -9.804 1.00 0.00 N ATOM 1227 CA MET A 80 12.632 3.047 -9.941 1.00 0.00 C ATOM 1228 C MET A 80 13.233 2.282 -11.129 1.00 0.00 C ATOM 1229 O MET A 80 13.714 2.929 -12.072 1.00 0.00 O ATOM 1230 CB MET A 80 11.131 3.254 -10.204 1.00 0.00 C ATOM 1231 CG MET A 80 10.368 3.835 -9.008 1.00 0.00 C ATOM 1232 SD MET A 80 10.273 2.775 -7.535 1.00 0.00 S ATOM 1233 CE MET A 80 9.221 1.429 -8.151 1.00 0.00 C ATOM 0 H MET A 80 12.752 5.126 -10.107 1.00 0.00 H new ATOM 0 HA MET A 80 12.759 2.486 -9.015 1.00 0.00 H new ATOM 0 HB2 MET A 80 11.010 3.920 -11.059 1.00 0.00 H new ATOM 0 HB3 MET A 80 10.684 2.298 -10.478 1.00 0.00 H new ATOM 0 HG2 MET A 80 10.839 4.776 -8.724 1.00 0.00 H new ATOM 0 HG3 MET A 80 9.353 4.070 -9.329 1.00 0.00 H new ATOM 0 HE1 MET A 80 8.644 1.012 -7.326 1.00 0.00 H new ATOM 0 HE2 MET A 80 8.541 1.817 -8.910 1.00 0.00 H new ATOM 0 HE3 MET A 80 9.846 0.650 -8.587 1.00 0.00 H new ATOM 1243 N PRO A 81 13.177 0.935 -11.124 1.00 0.00 N ATOM 1244 CA PRO A 81 13.463 0.117 -12.299 1.00 0.00 C ATOM 1245 C PRO A 81 12.590 0.538 -13.485 1.00 0.00 C ATOM 1246 O PRO A 81 11.503 1.103 -13.300 1.00 0.00 O ATOM 1247 CB PRO A 81 13.163 -1.331 -11.890 1.00 0.00 C ATOM 1248 CG PRO A 81 13.290 -1.315 -10.370 1.00 0.00 C ATOM 1249 CD PRO A 81 12.804 0.084 -10.002 1.00 0.00 C ATOM 0 HA PRO A 81 14.498 0.234 -12.619 1.00 0.00 H new ATOM 0 HB2 PRO A 81 12.165 -1.637 -12.205 1.00 0.00 H new ATOM 0 HB3 PRO A 81 13.868 -2.029 -12.343 1.00 0.00 H new ATOM 0 HG2 PRO A 81 12.680 -2.090 -9.905 1.00 0.00 H new ATOM 0 HG3 PRO A 81 14.318 -1.483 -10.049 1.00 0.00 H new ATOM 0 HD2 PRO A 81 11.726 0.095 -9.843 1.00 0.00 H new ATOM 0 HD3 PRO A 81 13.266 0.429 -9.077 1.00 0.00 H new ATOM 1257 N LYS A 82 13.029 0.233 -14.708 1.00 0.00 N ATOM 1258 CA LYS A 82 12.355 0.665 -15.928 1.00 0.00 C ATOM 1259 C LYS A 82 12.289 -0.486 -16.924 1.00 0.00 C ATOM 1260 O LYS A 82 13.083 -1.427 -16.860 1.00 0.00 O ATOM 1261 CB LYS A 82 13.062 1.897 -16.528 1.00 0.00 C ATOM 1262 CG LYS A 82 13.064 3.082 -15.549 1.00 0.00 C ATOM 1263 CD LYS A 82 13.691 4.356 -16.126 1.00 0.00 C ATOM 1264 CE LYS A 82 13.715 5.480 -15.074 1.00 0.00 C ATOM 1265 NZ LYS A 82 14.554 5.152 -13.891 1.00 0.00 N ATOM 0 H LYS A 82 13.867 -0.324 -14.878 1.00 0.00 H new ATOM 0 HA LYS A 82 11.333 0.959 -15.687 1.00 0.00 H new ATOM 0 HB2 LYS A 82 14.088 1.637 -16.788 1.00 0.00 H new ATOM 0 HB3 LYS A 82 12.563 2.189 -17.452 1.00 0.00 H new ATOM 0 HG2 LYS A 82 12.038 3.296 -15.249 1.00 0.00 H new ATOM 0 HG3 LYS A 82 13.607 2.797 -14.648 1.00 0.00 H new ATOM 0 HD2 LYS A 82 14.706 4.146 -16.463 1.00 0.00 H new ATOM 0 HD3 LYS A 82 13.126 4.681 -16.999 1.00 0.00 H new ATOM 0 HE2 LYS A 82 14.089 6.394 -15.536 1.00 0.00 H new ATOM 0 HE3 LYS A 82 12.696 5.683 -14.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 14.600 5.976 -13.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 14.136 4.348 -13.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 15.514 4.902 -14.205 1.00 0.00 H new ATOM 1279 N VAL A 83 11.341 -0.385 -17.846 1.00 0.00 N ATOM 1280 CA VAL A 83 11.054 -1.326 -18.923 1.00 0.00 C ATOM 1281 C VAL A 83 10.873 -0.457 -20.180 1.00 0.00 C ATOM 1282 O VAL A 83 10.759 0.766 -20.072 1.00 0.00 O ATOM 1283 CB VAL A 83 9.817 -2.176 -18.529 1.00 0.00 C ATOM 1284 CG1 VAL A 83 9.392 -3.182 -19.610 1.00 0.00 C ATOM 1285 CG2 VAL A 83 10.070 -2.981 -17.239 1.00 0.00 C ATOM 0 H VAL A 83 10.706 0.413 -17.863 1.00 0.00 H new ATOM 0 HA VAL A 83 11.843 -2.053 -19.116 1.00 0.00 H new ATOM 0 HB VAL A 83 9.021 -1.445 -18.389 1.00 0.00 H new ATOM 0 HG11 VAL A 83 8.522 -3.740 -19.265 1.00 0.00 H new ATOM 0 HG12 VAL A 83 9.141 -2.647 -20.526 1.00 0.00 H new ATOM 0 HG13 VAL A 83 10.212 -3.873 -19.807 1.00 0.00 H new ATOM 0 HG21 VAL A 83 9.182 -3.564 -16.994 1.00 0.00 H new ATOM 0 HG22 VAL A 83 10.915 -3.653 -17.389 1.00 0.00 H new ATOM 0 HG23 VAL A 83 10.292 -2.296 -16.420 1.00 0.00 H new ATOM 1295 N LYS A 84 10.907 -1.037 -21.382 1.00 0.00 N ATOM 1296 CA LYS A 84 10.865 -0.289 -22.640 1.00 0.00 C ATOM 1297 C LYS A 84 10.144 -1.092 -23.720 1.00 0.00 C ATOM 1298 O LYS A 84 9.858 -2.277 -23.519 1.00 0.00 O ATOM 1299 CB LYS A 84 12.295 0.098 -23.058 1.00 0.00 C ATOM 1300 CG LYS A 84 13.208 -1.090 -23.410 1.00 0.00 C ATOM 1301 CD LYS A 84 14.646 -0.649 -23.725 1.00 0.00 C ATOM 1302 CE LYS A 84 14.723 0.244 -24.974 1.00 0.00 C ATOM 1303 NZ LYS A 84 16.116 0.647 -25.289 1.00 0.00 N ATOM 0 H LYS A 84 10.965 -2.047 -21.510 1.00 0.00 H new ATOM 0 HA LYS A 84 10.297 0.630 -22.500 1.00 0.00 H new ATOM 0 HB2 LYS A 84 12.239 0.763 -23.920 1.00 0.00 H new ATOM 0 HB3 LYS A 84 12.755 0.664 -22.248 1.00 0.00 H new ATOM 0 HG2 LYS A 84 13.221 -1.794 -22.578 1.00 0.00 H new ATOM 0 HG3 LYS A 84 12.796 -1.619 -24.269 1.00 0.00 H new ATOM 0 HD2 LYS A 84 15.054 -0.110 -22.870 1.00 0.00 H new ATOM 0 HD3 LYS A 84 15.270 -1.531 -23.873 1.00 0.00 H new ATOM 0 HE2 LYS A 84 14.299 -0.288 -25.826 1.00 0.00 H new ATOM 0 HE3 LYS A 84 14.115 1.135 -24.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 16.120 1.248 -26.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 16.514 1.177 -24.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 16.692 -0.201 -25.463 1.00 0.00 H new ATOM 1317 N GLY A 85 9.896 -0.457 -24.868 1.00 0.00 N ATOM 1318 CA GLY A 85 9.103 -1.022 -25.951 1.00 0.00 C ATOM 1319 C GLY A 85 7.740 -1.471 -25.433 1.00 0.00 C ATOM 1320 O GLY A 85 7.118 -0.721 -24.654 1.00 0.00 O ATOM 1321 OXT GLY A 85 7.295 -2.573 -25.816 1.00 0.00 O ATOM 0 H GLY A 85 10.248 0.479 -25.070 1.00 0.00 H new ATOM 0 HA2 GLY A 85 8.973 -0.281 -26.740 1.00 0.00 H new ATOM 0 HA3 GLY A 85 9.629 -1.869 -26.392 1.00 0.00 H new TER 1325 GLY A 85