USER MOD reduce.3.24.130724 H: found=0, std=0, add=734, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 734 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 72 ASN : amide:sc= -1.43 K(o=-1.4,f=-3.5!) USER MOD Set 1.2: A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 3 GLN : amide:sc= 0.094 X(o=0.51,f=0.044) USER MOD Set 2.2: A 50 GLN : amide:sc= 0.414 K(o=0.51,f=-0.17) USER MOD Set 3.1: A 1 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 48 SER OG : rot 180:sc= -0.166 USER MOD Set 4.1: A 44 GLN : amide:sc= -0.0968 K(o=-0.043,f=-2.9) USER MOD Set 4.2: A 51 GLN : amide:sc= 0.0533 K(o=-0.043,f=-3.5!) USER MOD Set 5.1: A 30 SER OG : rot -116:sc= 0.17 USER MOD Set 5.2: A 32 THR OG1 : rot 180:sc= 0.174 USER MOD Single : A 1 SER N :NH3+ 145:sc= 0.0239 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 56:sc= 0.0864 USER MOD Single : A 6 SER OG : rot -170:sc= 0 USER MOD Single : A 9 ASN : amide:sc= -0.0165 K(o=-0.017,f=-3.6!) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 169:sc= -0.0206 (180deg=-0.187) USER MOD Single : A 14 LYS NZ :NH3+ 172:sc= 0.927 (180deg=0.771) USER MOD Single : A 17 LYS NZ :NH3+ 174:sc= 1.2 (180deg=1.17) USER MOD Single : A 21 LYS NZ :NH3+ -135:sc= 0.932 (180deg=0.0654) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= -0.0596 K(o=-0.06,f=-0.67) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.0702 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= 0.945 K(o=0.94,f=-5.1!) USER MOD Single : A 35 CYS SG : rot -41:sc= 1.31 USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 GLN : amide:sc= -0.18 X(o=-0.18,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot 180:sc= 0.0698 USER MOD Single : A 52 MET CE :methyl 141:sc= -0.221 (180deg=-0.821) USER MOD Single : A 53 GLN : amide:sc= -1.04 K(o=-1,f=0) USER MOD Single : A 56 SER OG : rot 12:sc= 0.343 USER MOD Single : A 57 ASN : amide:sc=-0.000369 X(o=-0.00037,f=0) USER MOD Single : A 60 ASN : amide:sc= -0.243 X(o=-0.24,f=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0.009 USER MOD Single : A 63 TYR OH : rot -30:sc= 0.0505 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= -0.0954 K(o=-0.095,f=-0.73) USER MOD Single : A 67 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0354) USER MOD Single : A 68 THR OG1 : rot 95:sc= 1.27 USER MOD Single : A 71 GLN : amide:sc= 0.2 X(o=0.2,f=-0.02) USER MOD Single : A 73 GLN : amide:sc= -0.679! K(o=-0.68!,f=-0.066) USER MOD Single : A 75 MET CE :methyl 139:sc= -0.303 (180deg=-0.751) USER MOD Single : A 77 SER OG : rot -140:sc= 0.393 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 LYS NZ :NH3+ 174:sc= 1.22 (180deg=1.13) USER MOD Single : A 83 ASN : amide:sc= -0.951 K(o=-0.95,f=-0.0062) USER MOD Single : A 84 ASN : amide:sc= -0.0304 X(o=-0.03,f=-0.03) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -8.879 15.489 -5.281 1.00 0.00 N ATOM 2 CA SER A 1 -8.066 14.461 -4.602 1.00 0.00 C ATOM 3 C SER A 1 -6.808 15.082 -4.007 1.00 0.00 C ATOM 4 O SER A 1 -6.201 15.970 -4.607 1.00 0.00 O ATOM 5 CB SER A 1 -7.698 13.348 -5.585 1.00 0.00 C ATOM 6 OG SER A 1 -8.864 12.716 -6.097 1.00 0.00 O ATOM 0 H1 SER A 1 -9.337 15.073 -6.117 1.00 0.00 H new ATOM 0 H2 SER A 1 -9.607 15.843 -4.628 1.00 0.00 H new ATOM 0 H3 SER A 1 -8.267 16.276 -5.577 1.00 0.00 H new ATOM 0 HA SER A 1 -8.653 14.032 -3.790 1.00 0.00 H new ATOM 0 HB2 SER A 1 -7.114 13.762 -6.407 1.00 0.00 H new ATOM 0 HB3 SER A 1 -7.069 12.610 -5.086 1.00 0.00 H new ATOM 0 HG SER A 1 -8.604 12.009 -6.724 1.00 0.00 H new ATOM 14 N LYS A 2 -6.423 14.621 -2.824 1.00 0.00 N ATOM 15 CA LYS A 2 -5.226 15.131 -2.162 1.00 0.00 C ATOM 16 C LYS A 2 -3.963 14.579 -2.816 1.00 0.00 C ATOM 17 O LYS A 2 -4.009 13.568 -3.515 1.00 0.00 O ATOM 18 CB LYS A 2 -5.236 14.776 -0.675 1.00 0.00 C ATOM 19 CG LYS A 2 -6.292 15.520 0.131 1.00 0.00 C ATOM 20 CD LYS A 2 -5.999 17.016 0.191 1.00 0.00 C ATOM 21 CE LYS A 2 -7.026 17.760 1.037 1.00 0.00 C ATOM 22 NZ LYS A 2 -6.736 19.218 1.126 1.00 0.00 N ATOM 0 H LYS A 2 -6.919 13.898 -2.304 1.00 0.00 H new ATOM 0 HA LYS A 2 -5.228 16.216 -2.266 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -5.401 13.704 -0.569 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -4.254 14.991 -0.254 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -7.273 15.358 -0.316 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -6.331 15.115 1.142 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -5.003 17.175 0.605 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -5.994 17.426 -0.819 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -8.019 17.615 0.610 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -7.045 17.334 2.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -7.461 19.681 1.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -5.800 19.360 1.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -6.744 19.632 0.172 1.00 0.00 H new ATOM 36 N GLN A 3 -2.847 15.268 -2.595 1.00 0.00 N ATOM 37 CA GLN A 3 -1.544 14.856 -3.117 1.00 0.00 C ATOM 38 C GLN A 3 -0.727 14.176 -2.018 1.00 0.00 C ATOM 39 O GLN A 3 -0.001 14.848 -1.284 1.00 0.00 O ATOM 40 CB GLN A 3 -0.757 16.060 -3.664 1.00 0.00 C ATOM 41 CG GLN A 3 -1.215 16.583 -5.025 1.00 0.00 C ATOM 42 CD GLN A 3 -2.678 16.984 -5.063 1.00 0.00 C ATOM 43 OE1 GLN A 3 -3.040 18.108 -4.718 1.00 0.00 O ATOM 44 NE2 GLN A 3 -3.522 16.083 -5.529 1.00 0.00 N ATOM 0 H GLN A 3 -2.819 16.129 -2.049 1.00 0.00 H new ATOM 0 HA GLN A 3 -1.720 14.155 -3.933 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -0.823 16.873 -2.941 1.00 0.00 H new ATOM 0 HB3 GLN A 3 0.294 15.782 -3.736 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -0.604 17.444 -5.298 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -1.038 15.815 -5.778 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -3.183 15.161 -5.805 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -4.513 16.308 -5.613 1.00 0.00 H new ATOM 53 N PRO A 4 -0.864 12.846 -1.851 1.00 0.00 N ATOM 54 CA PRO A 4 -0.210 12.116 -0.760 1.00 0.00 C ATOM 55 C PRO A 4 1.312 12.151 -0.866 1.00 0.00 C ATOM 56 O PRO A 4 1.925 11.305 -1.520 1.00 0.00 O ATOM 57 CB PRO A 4 -0.727 10.678 -0.908 1.00 0.00 C ATOM 58 CG PRO A 4 -1.904 10.772 -1.820 1.00 0.00 C ATOM 59 CD PRO A 4 -1.635 11.946 -2.718 1.00 0.00 C ATOM 0 HA PRO A 4 -0.439 12.559 0.209 1.00 0.00 H new ATOM 0 HB2 PRO A 4 0.041 10.025 -1.323 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -1.011 10.261 0.058 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -2.024 9.856 -2.399 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -2.825 10.915 -1.255 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -1.071 11.657 -3.605 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -2.558 12.410 -3.065 1.00 0.00 H new ATOM 67 N THR A 5 1.910 13.144 -0.230 1.00 0.00 N ATOM 68 CA THR A 5 3.351 13.315 -0.254 1.00 0.00 C ATOM 69 C THR A 5 3.994 12.556 0.902 1.00 0.00 C ATOM 70 O THR A 5 3.753 12.861 2.071 1.00 0.00 O ATOM 71 CB THR A 5 3.721 14.809 -0.173 1.00 0.00 C ATOM 72 OG1 THR A 5 2.983 15.537 -1.164 1.00 0.00 O ATOM 73 CG2 THR A 5 5.212 15.022 -0.393 1.00 0.00 C ATOM 0 H THR A 5 1.413 13.850 0.314 1.00 0.00 H new ATOM 0 HA THR A 5 3.728 12.913 -1.194 1.00 0.00 H new ATOM 0 HB THR A 5 3.469 15.170 0.824 1.00 0.00 H new ATOM 0 HG1 THR A 5 2.024 15.382 -1.037 1.00 0.00 H new ATOM 0 HG21 THR A 5 5.441 16.086 -0.330 1.00 0.00 H new ATOM 0 HG22 THR A 5 5.773 14.484 0.371 1.00 0.00 H new ATOM 0 HG23 THR A 5 5.491 14.649 -1.378 1.00 0.00 H new ATOM 81 N SER A 6 4.792 11.551 0.574 1.00 0.00 N ATOM 82 CA SER A 6 5.443 10.737 1.587 1.00 0.00 C ATOM 83 C SER A 6 6.744 11.385 2.054 1.00 0.00 C ATOM 84 O SER A 6 7.821 11.071 1.544 1.00 0.00 O ATOM 85 CB SER A 6 5.702 9.335 1.036 1.00 0.00 C ATOM 86 OG SER A 6 4.507 8.776 0.513 1.00 0.00 O ATOM 0 H SER A 6 5.004 11.280 -0.386 1.00 0.00 H new ATOM 0 HA SER A 6 4.783 10.660 2.451 1.00 0.00 H new ATOM 0 HB2 SER A 6 6.461 9.380 0.255 1.00 0.00 H new ATOM 0 HB3 SER A 6 6.094 8.695 1.826 1.00 0.00 H new ATOM 0 HG SER A 6 4.651 7.828 0.310 1.00 0.00 H new ATOM 92 N ALA A 7 6.619 12.321 2.999 1.00 0.00 N ATOM 93 CA ALA A 7 7.765 13.015 3.589 1.00 0.00 C ATOM 94 C ALA A 7 8.514 13.855 2.552 1.00 0.00 C ATOM 95 O ALA A 7 8.058 14.019 1.417 1.00 0.00 O ATOM 96 CB ALA A 7 8.706 12.024 4.267 1.00 0.00 C ATOM 0 H ALA A 7 5.719 12.619 3.376 1.00 0.00 H new ATOM 0 HA ALA A 7 7.380 13.699 4.346 1.00 0.00 H new ATOM 0 HB1 ALA A 7 9.551 12.561 4.699 1.00 0.00 H new ATOM 0 HB2 ALA A 7 8.171 11.495 5.056 1.00 0.00 H new ATOM 0 HB3 ALA A 7 9.070 11.306 3.532 1.00 0.00 H new ATOM 102 N GLU A 8 9.645 14.411 2.960 1.00 0.00 N ATOM 103 CA GLU A 8 10.483 15.198 2.068 1.00 0.00 C ATOM 104 C GLU A 8 11.938 14.781 2.238 1.00 0.00 C ATOM 105 O GLU A 8 12.640 15.271 3.126 1.00 0.00 O ATOM 106 CB GLU A 8 10.293 16.699 2.350 1.00 0.00 C ATOM 107 CG GLU A 8 10.984 17.630 1.355 1.00 0.00 C ATOM 108 CD GLU A 8 12.430 17.931 1.708 1.00 0.00 C ATOM 109 OE1 GLU A 8 12.667 18.645 2.706 1.00 0.00 O ATOM 110 OE2 GLU A 8 13.341 17.473 0.985 1.00 0.00 O ATOM 0 H GLU A 8 10.006 14.331 3.911 1.00 0.00 H new ATOM 0 HA GLU A 8 10.191 15.015 1.034 1.00 0.00 H new ATOM 0 HB2 GLU A 8 9.226 16.921 2.354 1.00 0.00 H new ATOM 0 HB3 GLU A 8 10.667 16.917 3.350 1.00 0.00 H new ATOM 0 HG2 GLU A 8 10.947 17.180 0.363 1.00 0.00 H new ATOM 0 HG3 GLU A 8 10.429 18.567 1.301 1.00 0.00 H new ATOM 117 N ASN A 9 12.369 13.838 1.416 1.00 0.00 N ATOM 118 CA ASN A 9 13.747 13.365 1.435 1.00 0.00 C ATOM 119 C ASN A 9 14.340 13.471 0.040 1.00 0.00 C ATOM 120 O ASN A 9 13.677 13.150 -0.947 1.00 0.00 O ATOM 121 CB ASN A 9 13.837 11.908 1.921 1.00 0.00 C ATOM 122 CG ASN A 9 13.610 11.741 3.416 1.00 0.00 C ATOM 123 OD1 ASN A 9 12.833 12.467 4.033 1.00 0.00 O ATOM 124 ND2 ASN A 9 14.298 10.778 4.012 1.00 0.00 N ATOM 0 H ASN A 9 11.780 13.380 0.721 1.00 0.00 H new ATOM 0 HA ASN A 9 14.308 13.989 2.130 1.00 0.00 H new ATOM 0 HB2 ASN A 9 13.102 11.310 1.383 1.00 0.00 H new ATOM 0 HB3 ASN A 9 14.819 11.510 1.666 1.00 0.00 H new ATOM 0 HD21 ASN A 9 14.191 10.620 5.014 1.00 0.00 H new ATOM 0 HD22 ASN A 9 14.934 10.194 3.469 1.00 0.00 H new ATOM 131 N SER A 10 15.577 13.930 -0.041 1.00 0.00 N ATOM 132 CA SER A 10 16.256 14.073 -1.316 1.00 0.00 C ATOM 133 C SER A 10 16.770 12.719 -1.795 1.00 0.00 C ATOM 134 O SER A 10 17.517 12.045 -1.080 1.00 0.00 O ATOM 135 CB SER A 10 17.411 15.068 -1.184 1.00 0.00 C ATOM 136 OG SER A 10 16.963 16.289 -0.615 1.00 0.00 O ATOM 0 H SER A 10 16.134 14.211 0.766 1.00 0.00 H new ATOM 0 HA SER A 10 15.549 14.454 -2.053 1.00 0.00 H new ATOM 0 HB2 SER A 10 18.197 14.639 -0.563 1.00 0.00 H new ATOM 0 HB3 SER A 10 17.848 15.257 -2.165 1.00 0.00 H new ATOM 0 HG SER A 10 17.717 16.910 -0.538 1.00 0.00 H new ATOM 142 N VAL A 11 16.349 12.336 -3.001 1.00 0.00 N ATOM 143 CA VAL A 11 16.728 11.064 -3.620 1.00 0.00 C ATOM 144 C VAL A 11 16.064 9.879 -2.918 1.00 0.00 C ATOM 145 O VAL A 11 16.440 9.499 -1.808 1.00 0.00 O ATOM 146 CB VAL A 11 18.263 10.858 -3.662 1.00 0.00 C ATOM 147 CG1 VAL A 11 18.617 9.514 -4.288 1.00 0.00 C ATOM 148 CG2 VAL A 11 18.931 11.992 -4.425 1.00 0.00 C ATOM 0 H VAL A 11 15.731 12.904 -3.581 1.00 0.00 H new ATOM 0 HA VAL A 11 16.370 11.111 -4.648 1.00 0.00 H new ATOM 0 HB VAL A 11 18.633 10.862 -2.637 1.00 0.00 H new ATOM 0 HG11 VAL A 11 19.700 9.395 -4.305 1.00 0.00 H new ATOM 0 HG12 VAL A 11 18.173 8.711 -3.700 1.00 0.00 H new ATOM 0 HG13 VAL A 11 18.231 9.474 -5.307 1.00 0.00 H new ATOM 0 HG21 VAL A 11 20.009 11.832 -4.445 1.00 0.00 H new ATOM 0 HG22 VAL A 11 18.549 12.018 -5.446 1.00 0.00 H new ATOM 0 HG23 VAL A 11 18.714 12.940 -3.932 1.00 0.00 H new ATOM 158 N ALA A 12 15.070 9.304 -3.578 1.00 0.00 N ATOM 159 CA ALA A 12 14.365 8.144 -3.051 1.00 0.00 C ATOM 160 C ALA A 12 14.390 7.006 -4.065 1.00 0.00 C ATOM 161 O ALA A 12 13.594 6.977 -5.006 1.00 0.00 O ATOM 162 CB ALA A 12 12.930 8.505 -2.685 1.00 0.00 C ATOM 0 H ALA A 12 14.731 9.624 -4.485 1.00 0.00 H new ATOM 0 HA ALA A 12 14.873 7.814 -2.145 1.00 0.00 H new ATOM 0 HB1 ALA A 12 12.422 7.624 -2.293 1.00 0.00 H new ATOM 0 HB2 ALA A 12 12.934 9.288 -1.927 1.00 0.00 H new ATOM 0 HB3 ALA A 12 12.407 8.861 -3.572 1.00 0.00 H new ATOM 168 N LYS A 13 15.318 6.078 -3.878 1.00 0.00 N ATOM 169 CA LYS A 13 15.505 4.987 -4.822 1.00 0.00 C ATOM 170 C LYS A 13 14.996 3.660 -4.275 1.00 0.00 C ATOM 171 O LYS A 13 15.709 2.956 -3.553 1.00 0.00 O ATOM 172 CB LYS A 13 16.979 4.864 -5.219 1.00 0.00 C ATOM 173 CG LYS A 13 17.254 5.342 -6.634 1.00 0.00 C ATOM 174 CD LYS A 13 16.566 4.456 -7.661 1.00 0.00 C ATOM 175 CE LYS A 13 16.759 4.977 -9.076 1.00 0.00 C ATOM 176 NZ LYS A 13 18.197 5.131 -9.429 1.00 0.00 N ATOM 0 H LYS A 13 15.953 6.059 -3.080 1.00 0.00 H new ATOM 0 HA LYS A 13 14.915 5.225 -5.707 1.00 0.00 H new ATOM 0 HB2 LYS A 13 17.587 5.441 -4.522 1.00 0.00 H new ATOM 0 HB3 LYS A 13 17.289 3.823 -5.126 1.00 0.00 H new ATOM 0 HG2 LYS A 13 16.908 6.369 -6.747 1.00 0.00 H new ATOM 0 HG3 LYS A 13 18.329 5.346 -6.816 1.00 0.00 H new ATOM 0 HD2 LYS A 13 16.961 3.443 -7.590 1.00 0.00 H new ATOM 0 HD3 LYS A 13 15.501 4.399 -7.437 1.00 0.00 H new ATOM 0 HE2 LYS A 13 16.285 4.293 -9.780 1.00 0.00 H new ATOM 0 HE3 LYS A 13 16.257 5.939 -9.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 18.287 5.307 -10.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 18.600 5.933 -8.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 18.710 4.261 -9.181 1.00 0.00 H new ATOM 190 N LYS A 14 13.755 3.339 -4.635 1.00 0.00 N ATOM 191 CA LYS A 14 13.134 2.060 -4.310 1.00 0.00 C ATOM 192 C LYS A 14 13.031 1.831 -2.799 1.00 0.00 C ATOM 193 O LYS A 14 13.204 2.752 -1.999 1.00 0.00 O ATOM 194 CB LYS A 14 13.908 0.916 -4.979 1.00 0.00 C ATOM 195 CG LYS A 14 13.928 1.005 -6.501 1.00 0.00 C ATOM 196 CD LYS A 14 12.531 0.867 -7.091 1.00 0.00 C ATOM 197 CE LYS A 14 12.234 -0.558 -7.550 1.00 0.00 C ATOM 198 NZ LYS A 14 12.434 -1.565 -6.474 1.00 0.00 N ATOM 0 H LYS A 14 13.149 3.965 -5.165 1.00 0.00 H new ATOM 0 HA LYS A 14 12.115 2.081 -4.697 1.00 0.00 H new ATOM 0 HB2 LYS A 14 14.933 0.916 -4.609 1.00 0.00 H new ATOM 0 HB3 LYS A 14 13.463 -0.034 -4.684 1.00 0.00 H new ATOM 0 HG2 LYS A 14 14.359 1.959 -6.804 1.00 0.00 H new ATOM 0 HG3 LYS A 14 14.572 0.223 -6.903 1.00 0.00 H new ATOM 0 HD2 LYS A 14 11.793 1.168 -6.347 1.00 0.00 H new ATOM 0 HD3 LYS A 14 12.427 1.548 -7.936 1.00 0.00 H new ATOM 0 HE2 LYS A 14 11.205 -0.613 -7.906 1.00 0.00 H new ATOM 0 HE3 LYS A 14 12.877 -0.804 -8.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 12.090 -2.492 -6.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 13.446 -1.632 -6.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 11.905 -1.277 -5.626 1.00 0.00 H new ATOM 212 N GLU A 15 12.706 0.598 -2.430 1.00 0.00 N ATOM 213 CA GLU A 15 12.559 0.216 -1.031 1.00 0.00 C ATOM 214 C GLU A 15 13.883 0.379 -0.291 1.00 0.00 C ATOM 215 O GLU A 15 13.920 0.913 0.818 1.00 0.00 O ATOM 216 CB GLU A 15 12.090 -1.246 -0.899 1.00 0.00 C ATOM 217 CG GLU A 15 11.000 -1.663 -1.877 1.00 0.00 C ATOM 218 CD GLU A 15 11.543 -1.935 -3.269 1.00 0.00 C ATOM 219 OE1 GLU A 15 12.142 -3.009 -3.480 1.00 0.00 O ATOM 220 OE2 GLU A 15 11.407 -1.060 -4.149 1.00 0.00 O ATOM 0 H GLU A 15 12.538 -0.162 -3.089 1.00 0.00 H new ATOM 0 HA GLU A 15 11.808 0.872 -0.591 1.00 0.00 H new ATOM 0 HB2 GLU A 15 12.950 -1.901 -1.036 1.00 0.00 H new ATOM 0 HB3 GLU A 15 11.726 -1.405 0.116 1.00 0.00 H new ATOM 0 HG2 GLU A 15 10.503 -2.558 -1.503 1.00 0.00 H new ATOM 0 HG3 GLU A 15 10.245 -0.879 -1.931 1.00 0.00 H new ATOM 227 N ASP A 16 14.958 -0.121 -0.912 1.00 0.00 N ATOM 228 CA ASP A 16 16.313 -0.090 -0.339 1.00 0.00 C ATOM 229 C ASP A 16 16.421 -1.086 0.819 1.00 0.00 C ATOM 230 O ASP A 16 17.468 -1.227 1.455 1.00 0.00 O ATOM 231 CB ASP A 16 16.693 1.331 0.117 1.00 0.00 C ATOM 232 CG ASP A 16 18.176 1.482 0.390 1.00 0.00 C ATOM 233 OD1 ASP A 16 18.958 1.498 -0.585 1.00 0.00 O ATOM 234 OD2 ASP A 16 18.570 1.588 1.574 1.00 0.00 O ATOM 0 H ASP A 16 14.914 -0.561 -1.831 1.00 0.00 H new ATOM 0 HA ASP A 16 17.020 -0.384 -1.115 1.00 0.00 H new ATOM 0 HB2 ASP A 16 16.395 2.046 -0.650 1.00 0.00 H new ATOM 0 HB3 ASP A 16 16.135 1.580 1.019 1.00 0.00 H new ATOM 239 N LYS A 17 15.315 -1.793 1.057 1.00 0.00 N ATOM 240 CA LYS A 17 15.208 -2.804 2.105 1.00 0.00 C ATOM 241 C LYS A 17 15.334 -2.187 3.496 1.00 0.00 C ATOM 242 O LYS A 17 15.359 -0.967 3.644 1.00 0.00 O ATOM 243 CB LYS A 17 16.230 -3.930 1.892 1.00 0.00 C ATOM 244 CG LYS A 17 16.031 -4.669 0.573 1.00 0.00 C ATOM 245 CD LYS A 17 14.583 -5.113 0.400 1.00 0.00 C ATOM 246 CE LYS A 17 14.334 -5.734 -0.967 1.00 0.00 C ATOM 247 NZ LYS A 17 14.962 -7.076 -1.100 1.00 0.00 N ATOM 0 H LYS A 17 14.457 -1.676 0.518 1.00 0.00 H new ATOM 0 HA LYS A 17 14.213 -3.244 2.039 1.00 0.00 H new ATOM 0 HB2 LYS A 17 17.236 -3.511 1.920 1.00 0.00 H new ATOM 0 HB3 LYS A 17 16.157 -4.640 2.715 1.00 0.00 H new ATOM 0 HG2 LYS A 17 16.317 -4.021 -0.256 1.00 0.00 H new ATOM 0 HG3 LYS A 17 16.687 -5.539 0.538 1.00 0.00 H new ATOM 0 HD2 LYS A 17 14.330 -5.835 1.177 1.00 0.00 H new ATOM 0 HD3 LYS A 17 13.923 -4.256 0.534 1.00 0.00 H new ATOM 0 HE2 LYS A 17 13.260 -5.819 -1.135 1.00 0.00 H new ATOM 0 HE3 LYS A 17 14.726 -5.074 -1.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 14.682 -7.502 -2.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 15.997 -6.980 -1.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 14.647 -7.686 -0.319 1.00 0.00 H new ATOM 261 N VAL A 18 15.383 -3.038 4.515 1.00 0.00 N ATOM 262 CA VAL A 18 15.338 -2.587 5.902 1.00 0.00 C ATOM 263 C VAL A 18 16.653 -2.901 6.624 1.00 0.00 C ATOM 264 O VAL A 18 16.806 -3.971 7.216 1.00 0.00 O ATOM 265 CB VAL A 18 14.158 -3.238 6.660 1.00 0.00 C ATOM 266 CG1 VAL A 18 13.943 -2.570 8.003 1.00 0.00 C ATOM 267 CG2 VAL A 18 12.885 -3.186 5.829 1.00 0.00 C ATOM 0 H VAL A 18 15.454 -4.050 4.406 1.00 0.00 H new ATOM 0 HA VAL A 18 15.193 -1.507 5.890 1.00 0.00 H new ATOM 0 HB VAL A 18 14.410 -4.284 6.835 1.00 0.00 H new ATOM 0 HG11 VAL A 18 13.108 -3.046 8.517 1.00 0.00 H new ATOM 0 HG12 VAL A 18 14.845 -2.669 8.607 1.00 0.00 H new ATOM 0 HG13 VAL A 18 13.722 -1.513 7.853 1.00 0.00 H new ATOM 0 HG21 VAL A 18 12.069 -3.650 6.383 1.00 0.00 H new ATOM 0 HG22 VAL A 18 12.633 -2.148 5.614 1.00 0.00 H new ATOM 0 HG23 VAL A 18 13.039 -3.723 4.893 1.00 0.00 H new ATOM 277 N PRO A 19 17.632 -1.984 6.542 1.00 0.00 N ATOM 278 CA PRO A 19 18.975 -2.184 7.098 1.00 0.00 C ATOM 279 C PRO A 19 19.016 -2.122 8.625 1.00 0.00 C ATOM 280 O PRO A 19 18.451 -1.211 9.240 1.00 0.00 O ATOM 281 CB PRO A 19 19.798 -1.026 6.507 1.00 0.00 C ATOM 282 CG PRO A 19 18.925 -0.392 5.476 1.00 0.00 C ATOM 283 CD PRO A 19 17.516 -0.673 5.898 1.00 0.00 C ATOM 0 HA PRO A 19 19.352 -3.175 6.847 1.00 0.00 H new ATOM 0 HB2 PRO A 19 20.075 -0.309 7.280 1.00 0.00 H new ATOM 0 HB3 PRO A 19 20.725 -1.391 6.064 1.00 0.00 H new ATOM 0 HG2 PRO A 19 19.108 0.681 5.416 1.00 0.00 H new ATOM 0 HG3 PRO A 19 19.126 -0.805 4.487 1.00 0.00 H new ATOM 0 HD2 PRO A 19 17.140 0.085 6.585 1.00 0.00 H new ATOM 0 HD3 PRO A 19 16.835 -0.698 5.047 1.00 0.00 H new ATOM 291 N VAL A 20 19.692 -3.111 9.211 1.00 0.00 N ATOM 292 CA VAL A 20 19.980 -3.162 10.642 1.00 0.00 C ATOM 293 C VAL A 20 18.710 -3.162 11.497 1.00 0.00 C ATOM 294 O VAL A 20 18.376 -2.178 12.160 1.00 0.00 O ATOM 295 CB VAL A 20 20.910 -2.008 11.058 1.00 0.00 C ATOM 296 CG1 VAL A 20 21.270 -2.082 12.535 1.00 0.00 C ATOM 297 CG2 VAL A 20 22.171 -2.009 10.207 1.00 0.00 C ATOM 0 H VAL A 20 20.060 -3.911 8.695 1.00 0.00 H new ATOM 0 HA VAL A 20 20.490 -4.108 10.824 1.00 0.00 H new ATOM 0 HB VAL A 20 20.371 -1.075 10.894 1.00 0.00 H new ATOM 0 HG11 VAL A 20 21.927 -1.251 12.791 1.00 0.00 H new ATOM 0 HG12 VAL A 20 20.361 -2.024 13.134 1.00 0.00 H new ATOM 0 HG13 VAL A 20 21.779 -3.024 12.739 1.00 0.00 H new ATOM 0 HG21 VAL A 20 22.818 -1.187 10.514 1.00 0.00 H new ATOM 0 HG22 VAL A 20 22.698 -2.954 10.339 1.00 0.00 H new ATOM 0 HG23 VAL A 20 21.902 -1.887 9.158 1.00 0.00 H new ATOM 307 N LYS A 21 17.992 -4.271 11.445 1.00 0.00 N ATOM 308 CA LYS A 21 16.841 -4.491 12.311 1.00 0.00 C ATOM 309 C LYS A 21 16.951 -5.866 12.963 1.00 0.00 C ATOM 310 O LYS A 21 17.988 -6.524 12.851 1.00 0.00 O ATOM 311 CB LYS A 21 15.513 -4.357 11.544 1.00 0.00 C ATOM 312 CG LYS A 21 14.937 -2.942 11.545 1.00 0.00 C ATOM 313 CD LYS A 21 15.769 -1.987 10.706 1.00 0.00 C ATOM 314 CE LYS A 21 15.362 -0.539 10.916 1.00 0.00 C ATOM 315 NZ LYS A 21 16.182 0.386 10.084 1.00 0.00 N ATOM 0 H LYS A 21 18.187 -5.042 10.806 1.00 0.00 H new ATOM 0 HA LYS A 21 16.842 -3.721 13.083 1.00 0.00 H new ATOM 0 HB2 LYS A 21 15.667 -4.675 10.513 1.00 0.00 H new ATOM 0 HB3 LYS A 21 14.782 -5.037 11.982 1.00 0.00 H new ATOM 0 HG2 LYS A 21 13.917 -2.966 11.162 1.00 0.00 H new ATOM 0 HG3 LYS A 21 14.885 -2.573 12.569 1.00 0.00 H new ATOM 0 HD2 LYS A 21 16.823 -2.107 10.958 1.00 0.00 H new ATOM 0 HD3 LYS A 21 15.662 -2.244 9.652 1.00 0.00 H new ATOM 0 HE2 LYS A 21 14.308 -0.417 10.666 1.00 0.00 H new ATOM 0 HE3 LYS A 21 15.473 -0.278 11.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 16.484 1.197 10.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 17.020 -0.117 9.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 15.615 0.725 9.280 1.00 0.00 H new ATOM 329 N LYS A 22 15.895 -6.295 13.640 1.00 0.00 N ATOM 330 CA LYS A 22 15.925 -7.548 14.389 1.00 0.00 C ATOM 331 C LYS A 22 15.950 -8.760 13.459 1.00 0.00 C ATOM 332 O LYS A 22 17.004 -9.357 13.243 1.00 0.00 O ATOM 333 CB LYS A 22 14.731 -7.629 15.342 1.00 0.00 C ATOM 334 CG LYS A 22 14.687 -6.489 16.341 1.00 0.00 C ATOM 335 CD LYS A 22 13.641 -6.723 17.417 1.00 0.00 C ATOM 336 CE LYS A 22 13.633 -5.580 18.416 1.00 0.00 C ATOM 337 NZ LYS A 22 12.847 -5.906 19.634 1.00 0.00 N ATOM 0 H LYS A 22 15.007 -5.796 13.687 1.00 0.00 H new ATOM 0 HA LYS A 22 16.845 -7.562 14.974 1.00 0.00 H new ATOM 0 HB2 LYS A 22 13.809 -7.630 14.760 1.00 0.00 H new ATOM 0 HB3 LYS A 22 14.768 -8.575 15.882 1.00 0.00 H new ATOM 0 HG2 LYS A 22 15.667 -6.374 16.805 1.00 0.00 H new ATOM 0 HG3 LYS A 22 14.470 -5.557 15.820 1.00 0.00 H new ATOM 0 HD2 LYS A 22 12.656 -6.819 16.959 1.00 0.00 H new ATOM 0 HD3 LYS A 22 13.846 -7.661 17.932 1.00 0.00 H new ATOM 0 HE2 LYS A 22 14.658 -5.341 18.700 1.00 0.00 H new ATOM 0 HE3 LYS A 22 13.217 -4.690 17.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 12.869 -5.098 20.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 11.862 -6.109 19.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 13.259 -6.740 20.100 1.00 0.00 H new ATOM 351 N GLN A 23 14.799 -9.121 12.910 1.00 0.00 N ATOM 352 CA GLN A 23 14.712 -10.269 12.016 1.00 0.00 C ATOM 353 C GLN A 23 13.470 -10.160 11.146 1.00 0.00 C ATOM 354 O GLN A 23 12.353 -10.358 11.624 1.00 0.00 O ATOM 355 CB GLN A 23 14.669 -11.575 12.819 1.00 0.00 C ATOM 356 CG GLN A 23 14.662 -12.830 11.957 1.00 0.00 C ATOM 357 CD GLN A 23 15.937 -12.997 11.151 1.00 0.00 C ATOM 358 OE1 GLN A 23 17.016 -12.571 11.569 1.00 0.00 O ATOM 359 NE2 GLN A 23 15.827 -13.633 9.996 1.00 0.00 N ATOM 0 H GLN A 23 13.914 -8.638 13.067 1.00 0.00 H new ATOM 0 HA GLN A 23 15.597 -10.278 11.380 1.00 0.00 H new ATOM 0 HB2 GLN A 23 15.531 -11.609 13.485 1.00 0.00 H new ATOM 0 HB3 GLN A 23 13.779 -11.574 13.449 1.00 0.00 H new ATOM 0 HG2 GLN A 23 14.524 -13.703 12.595 1.00 0.00 H new ATOM 0 HG3 GLN A 23 13.810 -12.794 11.278 1.00 0.00 H new ATOM 0 HE21 GLN A 23 14.916 -13.971 9.684 1.00 0.00 H new ATOM 0 HE22 GLN A 23 16.653 -13.786 9.417 1.00 0.00 H new ATOM 368 N LYS A 24 13.670 -9.812 9.884 1.00 0.00 N ATOM 369 CA LYS A 24 12.575 -9.716 8.928 1.00 0.00 C ATOM 370 C LYS A 24 13.003 -10.303 7.587 1.00 0.00 C ATOM 371 O LYS A 24 14.191 -10.552 7.361 1.00 0.00 O ATOM 372 CB LYS A 24 12.095 -8.260 8.786 1.00 0.00 C ATOM 373 CG LYS A 24 11.425 -7.737 10.050 1.00 0.00 C ATOM 374 CD LYS A 24 10.863 -6.332 9.889 1.00 0.00 C ATOM 375 CE LYS A 24 10.142 -5.895 11.158 1.00 0.00 C ATOM 376 NZ LYS A 24 9.557 -4.533 11.044 1.00 0.00 N ATOM 0 H LYS A 24 14.586 -9.590 9.495 1.00 0.00 H new ATOM 0 HA LYS A 24 11.730 -10.297 9.298 1.00 0.00 H new ATOM 0 HB2 LYS A 24 12.945 -7.624 8.540 1.00 0.00 H new ATOM 0 HB3 LYS A 24 11.395 -8.192 7.954 1.00 0.00 H new ATOM 0 HG2 LYS A 24 10.619 -8.414 10.334 1.00 0.00 H new ATOM 0 HG3 LYS A 24 12.148 -7.742 10.866 1.00 0.00 H new ATOM 0 HD2 LYS A 24 11.670 -5.635 9.664 1.00 0.00 H new ATOM 0 HD3 LYS A 24 10.174 -6.304 9.045 1.00 0.00 H new ATOM 0 HE2 LYS A 24 9.350 -6.609 11.385 1.00 0.00 H new ATOM 0 HE3 LYS A 24 10.841 -5.917 11.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 9.079 -4.285 11.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 10.313 -3.845 10.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 8.869 -4.515 10.264 1.00 0.00 H new ATOM 390 N THR A 25 12.032 -10.526 6.714 1.00 0.00 N ATOM 391 CA THR A 25 12.246 -11.277 5.484 1.00 0.00 C ATOM 392 C THR A 25 13.011 -10.487 4.421 1.00 0.00 C ATOM 393 O THR A 25 13.436 -9.353 4.650 1.00 0.00 O ATOM 394 CB THR A 25 10.900 -11.752 4.914 1.00 0.00 C ATOM 395 OG1 THR A 25 9.932 -10.698 5.005 1.00 0.00 O ATOM 396 CG2 THR A 25 10.398 -12.974 5.666 1.00 0.00 C ATOM 0 H THR A 25 11.076 -10.193 6.837 1.00 0.00 H new ATOM 0 HA THR A 25 12.866 -12.134 5.747 1.00 0.00 H new ATOM 0 HB THR A 25 11.046 -12.022 3.868 1.00 0.00 H new ATOM 0 HG1 THR A 25 9.077 -11.007 4.639 1.00 0.00 H new ATOM 0 HG21 THR A 25 9.444 -13.293 5.246 1.00 0.00 H new ATOM 0 HG22 THR A 25 11.124 -13.782 5.573 1.00 0.00 H new ATOM 0 HG23 THR A 25 10.266 -12.724 6.719 1.00 0.00 H new ATOM 404 N ARG A 26 13.165 -11.105 3.249 1.00 0.00 N ATOM 405 CA ARG A 26 13.962 -10.540 2.167 1.00 0.00 C ATOM 406 C ARG A 26 13.247 -9.352 1.549 1.00 0.00 C ATOM 407 O ARG A 26 13.877 -8.372 1.145 1.00 0.00 O ATOM 408 CB ARG A 26 14.241 -11.588 1.078 1.00 0.00 C ATOM 409 CG ARG A 26 14.929 -12.853 1.582 1.00 0.00 C ATOM 410 CD ARG A 26 13.938 -13.837 2.182 1.00 0.00 C ATOM 411 NE ARG A 26 14.608 -14.934 2.872 1.00 0.00 N ATOM 412 CZ ARG A 26 14.077 -16.143 3.052 1.00 0.00 C ATOM 413 NH1 ARG A 26 12.873 -16.426 2.571 1.00 0.00 N ATOM 414 NH2 ARG A 26 14.755 -17.071 3.712 1.00 0.00 N ATOM 0 H ARG A 26 12.742 -12.006 3.027 1.00 0.00 H new ATOM 0 HA ARG A 26 14.912 -10.214 2.591 1.00 0.00 H new ATOM 0 HB2 ARG A 26 13.298 -11.865 0.607 1.00 0.00 H new ATOM 0 HB3 ARG A 26 14.862 -11.135 0.305 1.00 0.00 H new ATOM 0 HG2 ARG A 26 15.460 -13.330 0.758 1.00 0.00 H new ATOM 0 HG3 ARG A 26 15.675 -12.587 2.331 1.00 0.00 H new ATOM 0 HD2 ARG A 26 13.285 -13.314 2.881 1.00 0.00 H new ATOM 0 HD3 ARG A 26 13.303 -14.239 1.393 1.00 0.00 H new ATOM 0 HE ARG A 26 15.544 -14.765 3.241 1.00 0.00 H new ATOM 0 HH11 ARG A 26 12.348 -15.716 2.060 1.00 0.00 H new ATOM 0 HH12 ARG A 26 12.472 -17.353 2.712 1.00 0.00 H new ATOM 0 HH21 ARG A 26 15.682 -16.859 4.081 1.00 0.00 H new ATOM 0 HH22 ARG A 26 14.350 -17.997 3.851 1.00 0.00 H new ATOM 428 N THR A 27 11.933 -9.455 1.452 1.00 0.00 N ATOM 429 CA THR A 27 11.125 -8.354 0.970 1.00 0.00 C ATOM 430 C THR A 27 9.972 -8.057 1.911 1.00 0.00 C ATOM 431 O THR A 27 9.312 -8.967 2.423 1.00 0.00 O ATOM 432 CB THR A 27 10.576 -8.610 -0.443 1.00 0.00 C ATOM 433 OG1 THR A 27 10.079 -9.951 -0.554 1.00 0.00 O ATOM 434 CG2 THR A 27 11.649 -8.369 -1.492 1.00 0.00 C ATOM 0 H THR A 27 11.405 -10.291 1.701 1.00 0.00 H new ATOM 0 HA THR A 27 11.787 -7.489 0.930 1.00 0.00 H new ATOM 0 HB THR A 27 9.756 -7.913 -0.616 1.00 0.00 H new ATOM 0 HG1 THR A 27 9.732 -10.097 -1.459 1.00 0.00 H new ATOM 0 HG21 THR A 27 11.237 -8.556 -2.484 1.00 0.00 H new ATOM 0 HG22 THR A 27 11.992 -7.336 -1.431 1.00 0.00 H new ATOM 0 HG23 THR A 27 12.489 -9.041 -1.315 1.00 0.00 H new ATOM 442 N VAL A 28 9.758 -6.771 2.133 1.00 0.00 N ATOM 443 CA VAL A 28 8.712 -6.264 3.012 1.00 0.00 C ATOM 444 C VAL A 28 8.359 -4.849 2.591 1.00 0.00 C ATOM 445 O VAL A 28 9.037 -4.265 1.746 1.00 0.00 O ATOM 446 CB VAL A 28 9.137 -6.233 4.505 1.00 0.00 C ATOM 447 CG1 VAL A 28 9.097 -7.617 5.128 1.00 0.00 C ATOM 448 CG2 VAL A 28 10.522 -5.622 4.659 1.00 0.00 C ATOM 0 H VAL A 28 10.316 -6.035 1.700 1.00 0.00 H new ATOM 0 HA VAL A 28 7.862 -6.941 2.921 1.00 0.00 H new ATOM 0 HB VAL A 28 8.418 -5.609 5.035 1.00 0.00 H new ATOM 0 HG11 VAL A 28 9.401 -7.555 6.173 1.00 0.00 H new ATOM 0 HG12 VAL A 28 8.084 -8.014 5.068 1.00 0.00 H new ATOM 0 HG13 VAL A 28 9.778 -8.278 4.591 1.00 0.00 H new ATOM 0 HG21 VAL A 28 10.799 -5.610 5.713 1.00 0.00 H new ATOM 0 HG22 VAL A 28 11.246 -6.215 4.100 1.00 0.00 H new ATOM 0 HG23 VAL A 28 10.515 -4.602 4.275 1.00 0.00 H new ATOM 458 N PHE A 29 7.307 -4.304 3.174 1.00 0.00 N ATOM 459 CA PHE A 29 6.961 -2.915 2.960 1.00 0.00 C ATOM 460 C PHE A 29 7.417 -2.090 4.148 1.00 0.00 C ATOM 461 O PHE A 29 7.390 -2.565 5.286 1.00 0.00 O ATOM 462 CB PHE A 29 5.457 -2.756 2.745 1.00 0.00 C ATOM 463 CG PHE A 29 4.995 -3.222 1.395 1.00 0.00 C ATOM 464 CD1 PHE A 29 5.014 -2.358 0.310 1.00 0.00 C ATOM 465 CD2 PHE A 29 4.548 -4.521 1.207 1.00 0.00 C ATOM 466 CE1 PHE A 29 4.595 -2.783 -0.937 1.00 0.00 C ATOM 467 CE2 PHE A 29 4.128 -4.949 -0.036 1.00 0.00 C ATOM 468 CZ PHE A 29 4.153 -4.079 -1.111 1.00 0.00 C ATOM 0 H PHE A 29 6.677 -4.805 3.801 1.00 0.00 H new ATOM 0 HA PHE A 29 7.467 -2.561 2.062 1.00 0.00 H new ATOM 0 HB2 PHE A 29 4.926 -3.315 3.515 1.00 0.00 H new ATOM 0 HB3 PHE A 29 5.188 -1.707 2.871 1.00 0.00 H new ATOM 0 HD1 PHE A 29 5.360 -1.343 0.441 1.00 0.00 H new ATOM 0 HD2 PHE A 29 4.528 -5.205 2.042 1.00 0.00 H new ATOM 0 HE1 PHE A 29 4.613 -2.101 -1.775 1.00 0.00 H new ATOM 0 HE2 PHE A 29 3.780 -5.963 -0.169 1.00 0.00 H new ATOM 0 HZ PHE A 29 3.827 -4.413 -2.085 1.00 0.00 H new ATOM 478 N SER A 30 7.846 -0.866 3.887 1.00 0.00 N ATOM 479 CA SER A 30 8.345 -0.002 4.941 1.00 0.00 C ATOM 480 C SER A 30 7.207 0.420 5.865 1.00 0.00 C ATOM 481 O SER A 30 6.041 0.456 5.456 1.00 0.00 O ATOM 482 CB SER A 30 9.029 1.230 4.341 1.00 0.00 C ATOM 483 OG SER A 30 9.613 2.038 5.349 1.00 0.00 O ATOM 0 H SER A 30 7.858 -0.450 2.956 1.00 0.00 H new ATOM 0 HA SER A 30 9.079 -0.556 5.526 1.00 0.00 H new ATOM 0 HB2 SER A 30 9.797 0.914 3.635 1.00 0.00 H new ATOM 0 HB3 SER A 30 8.301 1.815 3.779 1.00 0.00 H new ATOM 0 HG SER A 30 9.170 2.912 5.365 1.00 0.00 H new ATOM 489 N SER A 31 7.555 0.744 7.103 1.00 0.00 N ATOM 490 CA SER A 31 6.575 1.137 8.102 1.00 0.00 C ATOM 491 C SER A 31 5.831 2.388 7.639 1.00 0.00 C ATOM 492 O SER A 31 4.618 2.509 7.820 1.00 0.00 O ATOM 493 CB SER A 31 7.278 1.388 9.442 1.00 0.00 C ATOM 494 OG SER A 31 6.347 1.536 10.498 1.00 0.00 O ATOM 0 H SER A 31 8.518 0.742 7.440 1.00 0.00 H new ATOM 0 HA SER A 31 5.848 0.335 8.233 1.00 0.00 H new ATOM 0 HB2 SER A 31 7.950 0.559 9.662 1.00 0.00 H new ATOM 0 HB3 SER A 31 7.892 2.285 9.369 1.00 0.00 H new ATOM 0 HG SER A 31 6.827 1.693 11.338 1.00 0.00 H new ATOM 500 N THR A 32 6.563 3.293 7.003 1.00 0.00 N ATOM 501 CA THR A 32 5.992 4.530 6.502 1.00 0.00 C ATOM 502 C THR A 32 5.030 4.255 5.350 1.00 0.00 C ATOM 503 O THR A 32 3.926 4.796 5.309 1.00 0.00 O ATOM 504 CB THR A 32 7.102 5.489 6.038 1.00 0.00 C ATOM 505 OG1 THR A 32 8.049 4.774 5.231 1.00 0.00 O ATOM 506 CG2 THR A 32 7.813 6.111 7.232 1.00 0.00 C ATOM 0 H THR A 32 7.561 3.189 6.822 1.00 0.00 H new ATOM 0 HA THR A 32 5.438 4.998 7.316 1.00 0.00 H new ATOM 0 HB THR A 32 6.648 6.288 5.452 1.00 0.00 H new ATOM 0 HG1 THR A 32 8.755 5.386 4.935 1.00 0.00 H new ATOM 0 HG21 THR A 32 8.594 6.785 6.880 1.00 0.00 H new ATOM 0 HG22 THR A 32 7.095 6.669 7.833 1.00 0.00 H new ATOM 0 HG23 THR A 32 8.260 5.324 7.840 1.00 0.00 H new ATOM 514 N GLN A 33 5.452 3.391 4.431 1.00 0.00 N ATOM 515 CA GLN A 33 4.631 3.022 3.283 1.00 0.00 C ATOM 516 C GLN A 33 3.320 2.389 3.736 1.00 0.00 C ATOM 517 O GLN A 33 2.242 2.784 3.285 1.00 0.00 O ATOM 518 CB GLN A 33 5.392 2.052 2.380 1.00 0.00 C ATOM 519 CG GLN A 33 6.673 2.633 1.803 1.00 0.00 C ATOM 520 CD GLN A 33 7.510 1.597 1.074 1.00 0.00 C ATOM 521 OE1 GLN A 33 7.482 0.415 1.412 1.00 0.00 O ATOM 522 NE2 GLN A 33 8.267 2.033 0.079 1.00 0.00 N ATOM 0 H GLN A 33 6.362 2.932 4.460 1.00 0.00 H new ATOM 0 HA GLN A 33 4.403 3.928 2.722 1.00 0.00 H new ATOM 0 HB2 GLN A 33 5.634 1.154 2.948 1.00 0.00 H new ATOM 0 HB3 GLN A 33 4.741 1.745 1.561 1.00 0.00 H new ATOM 0 HG2 GLN A 33 6.423 3.441 1.116 1.00 0.00 H new ATOM 0 HG3 GLN A 33 7.264 3.070 2.608 1.00 0.00 H new ATOM 0 HE21 GLN A 33 8.262 3.022 -0.170 1.00 0.00 H new ATOM 0 HE22 GLN A 33 8.855 1.380 -0.438 1.00 0.00 H new ATOM 531 N LEU A 34 3.421 1.420 4.639 1.00 0.00 N ATOM 532 CA LEU A 34 2.245 0.751 5.187 1.00 0.00 C ATOM 533 C LEU A 34 1.318 1.747 5.870 1.00 0.00 C ATOM 534 O LEU A 34 0.097 1.670 5.723 1.00 0.00 O ATOM 535 CB LEU A 34 2.661 -0.338 6.178 1.00 0.00 C ATOM 536 CG LEU A 34 3.348 -1.552 5.553 1.00 0.00 C ATOM 537 CD1 LEU A 34 3.799 -2.523 6.632 1.00 0.00 C ATOM 538 CD2 LEU A 34 2.411 -2.246 4.574 1.00 0.00 C ATOM 0 H LEU A 34 4.308 1.079 5.009 1.00 0.00 H new ATOM 0 HA LEU A 34 1.707 0.291 4.359 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.333 0.101 6.916 1.00 0.00 H new ATOM 0 HB3 LEU A 34 1.775 -0.677 6.715 1.00 0.00 H new ATOM 0 HG LEU A 34 4.227 -1.208 5.008 1.00 0.00 H new ATOM 0 HD11 LEU A 34 4.286 -3.381 6.169 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.501 -2.024 7.300 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.934 -2.861 7.202 1.00 0.00 H new ATOM 0 HD21 LEU A 34 2.915 -3.108 4.137 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.515 -2.577 5.100 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.131 -1.550 3.783 1.00 0.00 H new ATOM 550 N CYS A 35 1.902 2.688 6.603 1.00 0.00 N ATOM 551 CA CYS A 35 1.125 3.704 7.295 1.00 0.00 C ATOM 552 C CYS A 35 0.331 4.543 6.299 1.00 0.00 C ATOM 553 O CYS A 35 -0.881 4.682 6.428 1.00 0.00 O ATOM 554 CB CYS A 35 2.039 4.602 8.128 1.00 0.00 C ATOM 555 SG CYS A 35 1.171 5.853 9.103 1.00 0.00 S ATOM 0 H CYS A 35 2.911 2.767 6.732 1.00 0.00 H new ATOM 0 HA CYS A 35 0.425 3.202 7.963 1.00 0.00 H new ATOM 0 HB2 CYS A 35 2.626 3.977 8.801 1.00 0.00 H new ATOM 0 HB3 CYS A 35 2.742 5.102 7.462 1.00 0.00 H new ATOM 0 HG CYS A 35 0.211 6.367 8.393 1.00 0.00 H new ATOM 561 N VAL A 36 1.018 5.070 5.290 1.00 0.00 N ATOM 562 CA VAL A 36 0.385 5.924 4.289 1.00 0.00 C ATOM 563 C VAL A 36 -0.742 5.179 3.589 1.00 0.00 C ATOM 564 O VAL A 36 -1.850 5.704 3.430 1.00 0.00 O ATOM 565 CB VAL A 36 1.405 6.418 3.237 1.00 0.00 C ATOM 566 CG1 VAL A 36 0.723 7.247 2.155 1.00 0.00 C ATOM 567 CG2 VAL A 36 2.518 7.217 3.898 1.00 0.00 C ATOM 0 H VAL A 36 2.016 4.920 5.143 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.020 6.791 4.811 1.00 0.00 H new ATOM 0 HB VAL A 36 1.845 5.540 2.763 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.465 7.580 1.430 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -0.029 6.640 1.651 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.244 8.115 2.609 1.00 0.00 H new ATOM 0 HG21 VAL A 36 3.224 7.554 3.139 1.00 0.00 H new ATOM 0 HG22 VAL A 36 2.092 8.081 4.407 1.00 0.00 H new ATOM 0 HG23 VAL A 36 3.037 6.588 4.622 1.00 0.00 H new ATOM 577 N LEU A 37 -0.455 3.949 3.183 1.00 0.00 N ATOM 578 CA LEU A 37 -1.448 3.105 2.547 1.00 0.00 C ATOM 579 C LEU A 37 -2.665 2.943 3.447 1.00 0.00 C ATOM 580 O LEU A 37 -3.785 3.257 3.045 1.00 0.00 O ATOM 581 CB LEU A 37 -0.855 1.731 2.221 1.00 0.00 C ATOM 582 CG LEU A 37 0.238 1.723 1.147 1.00 0.00 C ATOM 583 CD1 LEU A 37 0.869 0.341 1.037 1.00 0.00 C ATOM 584 CD2 LEU A 37 -0.332 2.158 -0.195 1.00 0.00 C ATOM 0 H LEU A 37 0.463 3.516 3.285 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.758 3.584 1.618 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.444 1.305 3.136 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.662 1.073 1.898 1.00 0.00 H new ATOM 0 HG LEU A 37 1.013 2.432 1.438 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.643 0.354 0.269 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.312 0.066 1.994 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.104 -0.388 0.768 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.457 2.147 -0.946 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.126 1.473 -0.492 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.737 3.166 -0.109 1.00 0.00 H new ATOM 596 N ASN A 38 -2.429 2.518 4.680 1.00 0.00 N ATOM 597 CA ASN A 38 -3.516 2.196 5.598 1.00 0.00 C ATOM 598 C ASN A 38 -4.283 3.449 6.011 1.00 0.00 C ATOM 599 O ASN A 38 -5.492 3.396 6.232 1.00 0.00 O ATOM 600 CB ASN A 38 -2.975 1.467 6.830 1.00 0.00 C ATOM 601 CG ASN A 38 -4.080 0.973 7.744 1.00 0.00 C ATOM 602 OD1 ASN A 38 -4.628 -0.113 7.542 1.00 0.00 O ATOM 603 ND2 ASN A 38 -4.405 1.754 8.761 1.00 0.00 N ATOM 0 H ASN A 38 -1.495 2.388 5.069 1.00 0.00 H new ATOM 0 HA ASN A 38 -4.211 1.537 5.078 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -2.367 0.621 6.510 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -2.320 2.137 7.386 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -5.134 1.465 9.414 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -3.927 2.645 8.893 1.00 0.00 H new ATOM 610 N ASP A 39 -3.584 4.577 6.104 1.00 0.00 N ATOM 611 CA ASP A 39 -4.217 5.837 6.488 1.00 0.00 C ATOM 612 C ASP A 39 -5.342 6.209 5.532 1.00 0.00 C ATOM 613 O ASP A 39 -6.489 6.370 5.949 1.00 0.00 O ATOM 614 CB ASP A 39 -3.197 6.984 6.557 1.00 0.00 C ATOM 615 CG ASP A 39 -2.484 7.065 7.895 1.00 0.00 C ATOM 616 OD1 ASP A 39 -3.169 7.118 8.938 1.00 0.00 O ATOM 617 OD2 ASP A 39 -1.235 7.099 7.915 1.00 0.00 O ATOM 0 H ASP A 39 -2.583 4.645 5.920 1.00 0.00 H new ATOM 0 HA ASP A 39 -4.638 5.686 7.482 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -2.459 6.854 5.766 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -3.707 7.928 6.366 1.00 0.00 H new ATOM 622 N ARG A 40 -5.033 6.332 4.245 1.00 0.00 N ATOM 623 CA ARG A 40 -6.052 6.733 3.281 1.00 0.00 C ATOM 624 C ARG A 40 -7.006 5.587 2.943 1.00 0.00 C ATOM 625 O ARG A 40 -8.136 5.829 2.532 1.00 0.00 O ATOM 626 CB ARG A 40 -5.441 7.370 2.026 1.00 0.00 C ATOM 627 CG ARG A 40 -4.065 6.857 1.656 1.00 0.00 C ATOM 628 CD ARG A 40 -4.132 5.598 0.821 1.00 0.00 C ATOM 629 NE ARG A 40 -2.809 5.224 0.321 1.00 0.00 N ATOM 630 CZ ARG A 40 -2.233 5.769 -0.753 1.00 0.00 C ATOM 631 NH1 ARG A 40 -2.880 6.684 -1.477 1.00 0.00 N ATOM 632 NH2 ARG A 40 -1.012 5.385 -1.112 1.00 0.00 N ATOM 0 H ARG A 40 -4.107 6.164 3.851 1.00 0.00 H new ATOM 0 HA ARG A 40 -6.652 7.506 3.761 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -6.114 7.200 1.186 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -5.383 8.448 2.175 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -3.527 7.629 1.105 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -3.496 6.659 2.564 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -4.541 4.784 1.419 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -4.811 5.751 -0.018 1.00 0.00 H new ATOM 0 HE ARG A 40 -2.294 4.502 0.825 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -3.822 6.972 -1.211 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -2.433 7.096 -2.296 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -0.519 4.677 -0.568 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -0.568 5.798 -1.932 1.00 0.00 H new ATOM 646 N PHE A 41 -6.558 4.347 3.123 1.00 0.00 N ATOM 647 CA PHE A 41 -7.444 3.189 2.990 1.00 0.00 C ATOM 648 C PHE A 41 -8.470 3.141 4.119 1.00 0.00 C ATOM 649 O PHE A 41 -9.488 2.462 4.014 1.00 0.00 O ATOM 650 CB PHE A 41 -6.650 1.885 2.958 1.00 0.00 C ATOM 651 CG PHE A 41 -6.126 1.560 1.595 1.00 0.00 C ATOM 652 CD1 PHE A 41 -6.910 1.796 0.484 1.00 0.00 C ATOM 653 CD2 PHE A 41 -4.861 1.026 1.421 1.00 0.00 C ATOM 654 CE1 PHE A 41 -6.451 1.506 -0.777 1.00 0.00 C ATOM 655 CE2 PHE A 41 -4.393 0.731 0.157 1.00 0.00 C ATOM 656 CZ PHE A 41 -5.189 0.973 -0.946 1.00 0.00 C ATOM 0 H PHE A 41 -5.593 4.117 3.360 1.00 0.00 H new ATOM 0 HA PHE A 41 -7.973 3.299 2.044 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -5.816 1.955 3.656 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -7.286 1.069 3.302 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -7.898 2.214 0.608 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -4.235 0.839 2.281 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -7.077 1.695 -1.636 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -3.406 0.312 0.030 1.00 0.00 H new ATOM 0 HZ PHE A 41 -4.825 0.746 -1.937 1.00 0.00 H new ATOM 666 N GLN A 42 -8.174 3.825 5.215 1.00 0.00 N ATOM 667 CA GLN A 42 -9.086 3.866 6.349 1.00 0.00 C ATOM 668 C GLN A 42 -9.964 5.118 6.280 1.00 0.00 C ATOM 669 O GLN A 42 -11.172 5.057 6.501 1.00 0.00 O ATOM 670 CB GLN A 42 -8.285 3.841 7.658 1.00 0.00 C ATOM 671 CG GLN A 42 -8.953 3.066 8.790 1.00 0.00 C ATOM 672 CD GLN A 42 -10.147 3.781 9.389 1.00 0.00 C ATOM 673 OE1 GLN A 42 -10.010 4.558 10.335 1.00 0.00 O ATOM 674 NE2 GLN A 42 -11.329 3.515 8.856 1.00 0.00 N ATOM 0 H GLN A 42 -7.313 4.357 5.343 1.00 0.00 H new ATOM 0 HA GLN A 42 -9.736 2.992 6.316 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -7.306 3.403 7.463 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -8.116 4.867 7.986 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -9.272 2.094 8.415 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -8.220 2.880 9.575 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -11.401 2.865 8.073 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -12.168 3.960 9.228 1.00 0.00 H new ATOM 683 N ARG A 43 -9.345 6.255 5.971 1.00 0.00 N ATOM 684 CA ARG A 43 -10.066 7.522 5.889 1.00 0.00 C ATOM 685 C ARG A 43 -10.924 7.608 4.629 1.00 0.00 C ATOM 686 O ARG A 43 -11.898 8.360 4.583 1.00 0.00 O ATOM 687 CB ARG A 43 -9.075 8.687 5.952 1.00 0.00 C ATOM 688 CG ARG A 43 -8.399 8.798 7.308 1.00 0.00 C ATOM 689 CD ARG A 43 -9.395 9.203 8.380 1.00 0.00 C ATOM 690 NE ARG A 43 -8.920 8.901 9.727 1.00 0.00 N ATOM 691 CZ ARG A 43 -9.729 8.659 10.757 1.00 0.00 C ATOM 692 NH1 ARG A 43 -11.048 8.738 10.606 1.00 0.00 N ATOM 693 NH2 ARG A 43 -9.222 8.346 11.941 1.00 0.00 N ATOM 0 H ARG A 43 -8.347 6.325 5.774 1.00 0.00 H new ATOM 0 HA ARG A 43 -10.744 7.581 6.741 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -8.316 8.558 5.180 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -9.598 9.618 5.732 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -7.944 7.843 7.571 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -7.594 9.531 7.258 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -9.596 10.271 8.300 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -10.340 8.687 8.207 1.00 0.00 H new ATOM 0 HE ARG A 43 -7.913 8.874 9.888 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -11.444 8.985 9.699 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -11.664 8.552 11.397 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -8.211 8.290 12.064 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -9.843 8.161 12.729 1.00 0.00 H new ATOM 707 N GLN A 44 -10.560 6.843 3.616 1.00 0.00 N ATOM 708 CA GLN A 44 -11.342 6.763 2.394 1.00 0.00 C ATOM 709 C GLN A 44 -11.636 5.304 2.078 1.00 0.00 C ATOM 710 O GLN A 44 -11.265 4.419 2.842 1.00 0.00 O ATOM 711 CB GLN A 44 -10.619 7.435 1.225 1.00 0.00 C ATOM 712 CG GLN A 44 -10.515 8.946 1.361 1.00 0.00 C ATOM 713 CD GLN A 44 -9.949 9.607 0.118 1.00 0.00 C ATOM 714 OE1 GLN A 44 -10.124 9.117 -0.998 1.00 0.00 O ATOM 715 NE2 GLN A 44 -9.272 10.730 0.300 1.00 0.00 N ATOM 0 H GLN A 44 -9.721 6.263 3.615 1.00 0.00 H new ATOM 0 HA GLN A 44 -12.281 7.296 2.544 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -9.616 7.016 1.140 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -11.143 7.197 0.299 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -11.503 9.357 1.569 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -9.883 9.187 2.216 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -9.149 11.104 1.241 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -8.874 11.221 -0.501 1.00 0.00 H new ATOM 724 N LYS A 45 -12.311 5.052 0.967 1.00 0.00 N ATOM 725 CA LYS A 45 -12.710 3.696 0.627 1.00 0.00 C ATOM 726 C LYS A 45 -11.570 2.946 -0.052 1.00 0.00 C ATOM 727 O LYS A 45 -11.191 1.854 0.371 1.00 0.00 O ATOM 728 CB LYS A 45 -13.925 3.727 -0.301 1.00 0.00 C ATOM 729 CG LYS A 45 -15.057 4.609 0.201 1.00 0.00 C ATOM 730 CD LYS A 45 -16.233 4.600 -0.759 1.00 0.00 C ATOM 731 CE LYS A 45 -17.317 5.572 -0.322 1.00 0.00 C ATOM 732 NZ LYS A 45 -18.525 5.477 -1.180 1.00 0.00 N ATOM 0 H LYS A 45 -12.592 5.762 0.291 1.00 0.00 H new ATOM 0 HA LYS A 45 -12.967 3.176 1.550 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -13.611 4.079 -1.284 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -14.298 2.711 -0.430 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -15.383 4.262 1.182 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -14.696 5.630 0.328 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -15.889 4.863 -1.759 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -16.648 3.594 -0.818 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -17.590 5.369 0.713 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -16.927 6.589 -0.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -19.240 6.156 -0.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -18.270 5.695 -2.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -18.912 4.513 -1.129 1.00 0.00 H new ATOM 746 N TYR A 46 -11.021 3.544 -1.101 1.00 0.00 N ATOM 747 CA TYR A 46 -9.965 2.915 -1.884 1.00 0.00 C ATOM 748 C TYR A 46 -9.080 3.966 -2.530 1.00 0.00 C ATOM 749 O TYR A 46 -9.239 5.164 -2.287 1.00 0.00 O ATOM 750 CB TYR A 46 -10.550 2.015 -2.983 1.00 0.00 C ATOM 751 CG TYR A 46 -11.267 0.787 -2.469 1.00 0.00 C ATOM 752 CD1 TYR A 46 -10.561 -0.254 -1.878 1.00 0.00 C ATOM 753 CD2 TYR A 46 -12.647 0.670 -2.571 1.00 0.00 C ATOM 754 CE1 TYR A 46 -11.210 -1.374 -1.403 1.00 0.00 C ATOM 755 CE2 TYR A 46 -13.303 -0.450 -2.095 1.00 0.00 C ATOM 756 CZ TYR A 46 -12.579 -1.467 -1.514 1.00 0.00 C ATOM 757 OH TYR A 46 -13.227 -2.582 -1.037 1.00 0.00 O ATOM 0 H TYR A 46 -11.292 4.470 -1.431 1.00 0.00 H new ATOM 0 HA TYR A 46 -9.373 2.306 -1.201 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -11.245 2.601 -3.584 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -9.743 1.699 -3.645 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -9.487 -0.185 -1.789 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -13.216 1.466 -3.029 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -10.647 -2.174 -0.946 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -14.377 -0.527 -2.178 1.00 0.00 H new ATOM 0 HH TYR A 46 -14.191 -2.491 -1.191 1.00 0.00 H new ATOM 767 N LEU A 47 -8.147 3.511 -3.357 1.00 0.00 N ATOM 768 CA LEU A 47 -7.297 4.413 -4.110 1.00 0.00 C ATOM 769 C LEU A 47 -8.075 5.036 -5.251 1.00 0.00 C ATOM 770 O LEU A 47 -8.645 4.334 -6.086 1.00 0.00 O ATOM 771 CB LEU A 47 -6.076 3.684 -4.674 1.00 0.00 C ATOM 772 CG LEU A 47 -5.123 3.114 -3.633 1.00 0.00 C ATOM 773 CD1 LEU A 47 -4.013 2.317 -4.299 1.00 0.00 C ATOM 774 CD2 LEU A 47 -4.538 4.231 -2.785 1.00 0.00 C ATOM 0 H LEU A 47 -7.963 2.521 -3.521 1.00 0.00 H new ATOM 0 HA LEU A 47 -6.956 5.191 -3.428 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -6.421 2.870 -5.311 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -5.523 4.374 -5.310 1.00 0.00 H new ATOM 0 HG LEU A 47 -5.685 2.441 -2.985 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.343 1.919 -3.537 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -4.447 1.494 -4.867 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -3.452 2.966 -4.971 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -3.858 3.808 -2.045 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -3.992 4.925 -3.424 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.343 4.762 -2.277 1.00 0.00 H new ATOM 786 N SER A 48 -8.097 6.350 -5.276 1.00 0.00 N ATOM 787 CA SER A 48 -8.740 7.068 -6.346 1.00 0.00 C ATOM 788 C SER A 48 -7.861 7.001 -7.586 1.00 0.00 C ATOM 789 O SER A 48 -6.706 6.562 -7.521 1.00 0.00 O ATOM 790 CB SER A 48 -8.982 8.524 -5.923 1.00 0.00 C ATOM 791 OG SER A 48 -9.619 9.272 -6.946 1.00 0.00 O ATOM 0 H SER A 48 -7.674 6.943 -4.562 1.00 0.00 H new ATOM 0 HA SER A 48 -9.706 6.616 -6.573 1.00 0.00 H new ATOM 0 HB2 SER A 48 -9.596 8.543 -5.023 1.00 0.00 H new ATOM 0 HB3 SER A 48 -8.031 8.992 -5.670 1.00 0.00 H new ATOM 0 HG SER A 48 -9.758 10.193 -6.640 1.00 0.00 H new ATOM 797 N LEU A 49 -8.393 7.475 -8.693 1.00 0.00 N ATOM 798 CA LEU A 49 -7.676 7.457 -9.958 1.00 0.00 C ATOM 799 C LEU A 49 -6.463 8.369 -9.846 1.00 0.00 C ATOM 800 O LEU A 49 -5.365 8.026 -10.284 1.00 0.00 O ATOM 801 CB LEU A 49 -8.608 7.906 -11.097 1.00 0.00 C ATOM 802 CG LEU A 49 -8.182 7.509 -12.521 1.00 0.00 C ATOM 803 CD1 LEU A 49 -6.965 8.296 -12.982 1.00 0.00 C ATOM 804 CD2 LEU A 49 -7.907 6.013 -12.597 1.00 0.00 C ATOM 0 H LEU A 49 -9.327 7.881 -8.746 1.00 0.00 H new ATOM 0 HA LEU A 49 -7.338 6.446 -10.185 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -9.600 7.496 -10.909 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -8.699 8.991 -11.057 1.00 0.00 H new ATOM 0 HG LEU A 49 -9.006 7.751 -13.192 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -6.694 7.988 -13.992 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -7.197 9.361 -12.977 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -6.130 8.104 -12.308 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -7.607 5.749 -13.611 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -7.107 5.754 -11.903 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -8.810 5.463 -12.331 1.00 0.00 H new ATOM 816 N GLN A 50 -6.665 9.515 -9.212 1.00 0.00 N ATOM 817 CA GLN A 50 -5.582 10.455 -9.005 1.00 0.00 C ATOM 818 C GLN A 50 -4.608 9.917 -7.967 1.00 0.00 C ATOM 819 O GLN A 50 -3.408 10.034 -8.134 1.00 0.00 O ATOM 820 CB GLN A 50 -6.109 11.814 -8.558 1.00 0.00 C ATOM 821 CG GLN A 50 -5.459 12.976 -9.286 1.00 0.00 C ATOM 822 CD GLN A 50 -5.841 14.314 -8.697 1.00 0.00 C ATOM 823 OE1 GLN A 50 -6.873 14.887 -9.046 1.00 0.00 O ATOM 824 NE2 GLN A 50 -4.995 14.840 -7.828 1.00 0.00 N ATOM 0 H GLN A 50 -7.565 9.812 -8.835 1.00 0.00 H new ATOM 0 HA GLN A 50 -5.064 10.582 -9.956 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -7.186 11.850 -8.719 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -5.943 11.926 -7.487 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -4.375 12.863 -9.250 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -5.748 12.949 -10.337 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -4.151 14.331 -7.566 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -5.187 15.755 -7.419 1.00 0.00 H new ATOM 833 N GLN A 51 -5.132 9.295 -6.911 1.00 0.00 N ATOM 834 CA GLN A 51 -4.295 8.819 -5.814 1.00 0.00 C ATOM 835 C GLN A 51 -3.251 7.817 -6.284 1.00 0.00 C ATOM 836 O GLN A 51 -2.093 7.901 -5.888 1.00 0.00 O ATOM 837 CB GLN A 51 -5.133 8.176 -4.712 1.00 0.00 C ATOM 838 CG GLN A 51 -5.866 9.165 -3.825 1.00 0.00 C ATOM 839 CD GLN A 51 -6.339 8.519 -2.537 1.00 0.00 C ATOM 840 OE1 GLN A 51 -5.697 7.601 -2.020 1.00 0.00 O ATOM 841 NE2 GLN A 51 -7.463 8.979 -2.018 1.00 0.00 N ATOM 0 H GLN A 51 -6.128 9.110 -6.794 1.00 0.00 H new ATOM 0 HA GLN A 51 -3.786 9.698 -5.419 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -5.862 7.507 -5.170 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -4.483 7.561 -4.090 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -5.208 10.002 -3.592 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -6.722 9.572 -4.364 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -7.963 9.740 -2.478 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -7.831 8.573 -1.158 1.00 0.00 H new ATOM 850 N MET A 52 -3.663 6.865 -7.112 1.00 0.00 N ATOM 851 CA MET A 52 -2.755 5.815 -7.561 1.00 0.00 C ATOM 852 C MET A 52 -1.646 6.377 -8.451 1.00 0.00 C ATOM 853 O MET A 52 -0.480 6.017 -8.291 1.00 0.00 O ATOM 854 CB MET A 52 -3.523 4.695 -8.280 1.00 0.00 C ATOM 855 CG MET A 52 -4.329 5.156 -9.484 1.00 0.00 C ATOM 856 SD MET A 52 -5.261 3.817 -10.254 1.00 0.00 S ATOM 857 CE MET A 52 -6.340 3.335 -8.906 1.00 0.00 C ATOM 0 H MET A 52 -4.610 6.797 -7.484 1.00 0.00 H new ATOM 0 HA MET A 52 -2.282 5.388 -6.677 1.00 0.00 H new ATOM 0 HB2 MET A 52 -2.813 3.934 -8.604 1.00 0.00 H new ATOM 0 HB3 MET A 52 -4.197 4.219 -7.568 1.00 0.00 H new ATOM 0 HG2 MET A 52 -5.018 5.942 -9.175 1.00 0.00 H new ATOM 0 HG3 MET A 52 -3.655 5.594 -10.220 1.00 0.00 H new ATOM 0 HE1 MET A 52 -7.329 3.100 -9.298 1.00 0.00 H new ATOM 0 HE2 MET A 52 -5.929 2.457 -8.407 1.00 0.00 H new ATOM 0 HE3 MET A 52 -6.418 4.155 -8.192 1.00 0.00 H new ATOM 867 N GLN A 53 -1.996 7.274 -9.370 1.00 0.00 N ATOM 868 CA GLN A 53 -0.997 7.874 -10.250 1.00 0.00 C ATOM 869 C GLN A 53 -0.147 8.884 -9.479 1.00 0.00 C ATOM 870 O GLN A 53 1.059 9.002 -9.709 1.00 0.00 O ATOM 871 CB GLN A 53 -1.658 8.531 -11.473 1.00 0.00 C ATOM 872 CG GLN A 53 -2.635 9.643 -11.127 1.00 0.00 C ATOM 873 CD GLN A 53 -3.286 10.267 -12.345 1.00 0.00 C ATOM 874 OE1 GLN A 53 -3.626 11.450 -12.342 1.00 0.00 O ATOM 875 NE2 GLN A 53 -3.483 9.475 -13.386 1.00 0.00 N ATOM 0 H GLN A 53 -2.951 7.598 -9.524 1.00 0.00 H new ATOM 0 HA GLN A 53 -0.344 7.081 -10.615 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -0.880 8.934 -12.121 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -2.183 7.765 -12.044 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -3.411 9.246 -10.472 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -2.111 10.417 -10.567 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -3.186 8.500 -13.348 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -3.932 9.839 -14.226 1.00 0.00 H new ATOM 884 N GLU A 54 -0.784 9.585 -8.547 1.00 0.00 N ATOM 885 CA GLU A 54 -0.110 10.575 -7.719 1.00 0.00 C ATOM 886 C GLU A 54 0.930 9.894 -6.843 1.00 0.00 C ATOM 887 O GLU A 54 2.106 10.246 -6.873 1.00 0.00 O ATOM 888 CB GLU A 54 -1.127 11.291 -6.823 1.00 0.00 C ATOM 889 CG GLU A 54 -0.769 12.730 -6.500 1.00 0.00 C ATOM 890 CD GLU A 54 -1.184 13.688 -7.598 1.00 0.00 C ATOM 891 OE1 GLU A 54 -0.426 13.846 -8.579 1.00 0.00 O ATOM 892 OE2 GLU A 54 -2.276 14.291 -7.481 1.00 0.00 O ATOM 0 H GLU A 54 -1.779 9.482 -8.346 1.00 0.00 H new ATOM 0 HA GLU A 54 0.377 11.301 -8.370 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.101 11.272 -7.312 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.227 10.735 -5.891 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -1.251 13.021 -5.566 1.00 0.00 H new ATOM 0 HG3 GLU A 54 0.307 12.807 -6.341 1.00 0.00 H new ATOM 899 N LEU A 55 0.486 8.886 -6.094 1.00 0.00 N ATOM 900 CA LEU A 55 1.347 8.195 -5.146 1.00 0.00 C ATOM 901 C LEU A 55 2.536 7.587 -5.872 1.00 0.00 C ATOM 902 O LEU A 55 3.667 7.672 -5.403 1.00 0.00 O ATOM 903 CB LEU A 55 0.552 7.121 -4.382 1.00 0.00 C ATOM 904 CG LEU A 55 1.198 6.571 -3.101 1.00 0.00 C ATOM 905 CD1 LEU A 55 2.283 5.554 -3.418 1.00 0.00 C ATOM 906 CD2 LEU A 55 1.763 7.706 -2.261 1.00 0.00 C ATOM 0 H LEU A 55 -0.470 8.531 -6.129 1.00 0.00 H new ATOM 0 HA LEU A 55 1.723 8.913 -4.417 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -0.421 7.538 -4.122 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.370 6.286 -5.058 1.00 0.00 H new ATOM 0 HG LEU A 55 0.422 6.063 -2.529 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.719 5.185 -2.489 1.00 0.00 H new ATOM 0 HD12 LEU A 55 1.850 4.721 -3.971 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.059 6.026 -4.021 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.217 7.299 -1.357 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.517 8.243 -2.836 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.960 8.390 -1.987 1.00 0.00 H new ATOM 918 N SER A 56 2.270 6.990 -7.020 1.00 0.00 N ATOM 919 CA SER A 56 3.321 6.446 -7.859 1.00 0.00 C ATOM 920 C SER A 56 4.396 7.490 -8.156 1.00 0.00 C ATOM 921 O SER A 56 5.583 7.253 -7.920 1.00 0.00 O ATOM 922 CB SER A 56 2.717 5.924 -9.165 1.00 0.00 C ATOM 923 OG SER A 56 3.714 5.453 -10.050 1.00 0.00 O ATOM 0 H SER A 56 1.329 6.870 -7.394 1.00 0.00 H new ATOM 0 HA SER A 56 3.796 5.625 -7.322 1.00 0.00 H new ATOM 0 HB2 SER A 56 2.015 5.119 -8.946 1.00 0.00 H new ATOM 0 HB3 SER A 56 2.149 6.720 -9.647 1.00 0.00 H new ATOM 0 HG SER A 56 4.566 5.377 -9.572 1.00 0.00 H new ATOM 929 N ASN A 57 3.978 8.646 -8.653 1.00 0.00 N ATOM 930 CA ASN A 57 4.915 9.694 -9.044 1.00 0.00 C ATOM 931 C ASN A 57 5.654 10.251 -7.830 1.00 0.00 C ATOM 932 O ASN A 57 6.833 10.589 -7.912 1.00 0.00 O ATOM 933 CB ASN A 57 4.174 10.816 -9.778 1.00 0.00 C ATOM 934 CG ASN A 57 5.099 11.917 -10.267 1.00 0.00 C ATOM 935 OD1 ASN A 57 5.664 11.828 -11.357 1.00 0.00 O ATOM 936 ND2 ASN A 57 5.242 12.974 -9.479 1.00 0.00 N ATOM 0 H ASN A 57 2.996 8.883 -8.796 1.00 0.00 H new ATOM 0 HA ASN A 57 5.654 9.258 -9.716 1.00 0.00 H new ATOM 0 HB2 ASN A 57 3.638 10.394 -10.629 1.00 0.00 H new ATOM 0 HB3 ASN A 57 3.426 11.246 -9.112 1.00 0.00 H new ATOM 0 HD21 ASN A 57 5.837 13.750 -9.770 1.00 0.00 H new ATOM 0 HD22 ASN A 57 4.757 13.011 -8.582 1.00 0.00 H new ATOM 943 N ILE A 58 4.967 10.322 -6.697 1.00 0.00 N ATOM 944 CA ILE A 58 5.543 10.917 -5.497 1.00 0.00 C ATOM 945 C ILE A 58 6.470 9.945 -4.769 1.00 0.00 C ATOM 946 O ILE A 58 7.503 10.347 -4.233 1.00 0.00 O ATOM 947 CB ILE A 58 4.446 11.409 -4.526 1.00 0.00 C ATOM 948 CG1 ILE A 58 3.470 12.321 -5.274 1.00 0.00 C ATOM 949 CG2 ILE A 58 5.066 12.140 -3.338 1.00 0.00 C ATOM 950 CD1 ILE A 58 2.479 13.037 -4.380 1.00 0.00 C ATOM 0 H ILE A 58 4.014 9.977 -6.583 1.00 0.00 H new ATOM 0 HA ILE A 58 6.130 11.773 -5.829 1.00 0.00 H new ATOM 0 HB ILE A 58 3.901 10.548 -4.140 1.00 0.00 H new ATOM 0 HG12 ILE A 58 4.040 13.063 -5.833 1.00 0.00 H new ATOM 0 HG13 ILE A 58 2.920 11.726 -6.003 1.00 0.00 H new ATOM 0 HG21 ILE A 58 4.277 12.478 -2.667 1.00 0.00 H new ATOM 0 HG22 ILE A 58 5.733 11.464 -2.803 1.00 0.00 H new ATOM 0 HG23 ILE A 58 5.632 13.000 -3.695 1.00 0.00 H new ATOM 0 HD11 ILE A 58 1.825 13.662 -4.989 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.880 12.304 -3.840 1.00 0.00 H new ATOM 0 HD13 ILE A 58 3.017 13.662 -3.667 1.00 0.00 H new ATOM 962 N LEU A 59 6.114 8.666 -4.757 1.00 0.00 N ATOM 963 CA LEU A 59 6.909 7.676 -4.038 1.00 0.00 C ATOM 964 C LEU A 59 8.027 7.138 -4.930 1.00 0.00 C ATOM 965 O LEU A 59 8.825 6.304 -4.507 1.00 0.00 O ATOM 966 CB LEU A 59 6.018 6.533 -3.531 1.00 0.00 C ATOM 967 CG LEU A 59 6.675 5.589 -2.521 1.00 0.00 C ATOM 968 CD1 LEU A 59 7.104 6.347 -1.272 1.00 0.00 C ATOM 969 CD2 LEU A 59 5.727 4.458 -2.157 1.00 0.00 C ATOM 0 H LEU A 59 5.291 8.293 -5.230 1.00 0.00 H new ATOM 0 HA LEU A 59 7.365 8.160 -3.174 1.00 0.00 H new ATOM 0 HB2 LEU A 59 5.127 6.964 -3.074 1.00 0.00 H new ATOM 0 HB3 LEU A 59 5.685 5.947 -4.388 1.00 0.00 H new ATOM 0 HG LEU A 59 7.565 5.161 -2.983 1.00 0.00 H new ATOM 0 HD11 LEU A 59 7.568 5.656 -0.568 1.00 0.00 H new ATOM 0 HD12 LEU A 59 7.820 7.122 -1.545 1.00 0.00 H new ATOM 0 HD13 LEU A 59 6.231 6.806 -0.807 1.00 0.00 H new ATOM 0 HD21 LEU A 59 6.210 3.796 -1.438 1.00 0.00 H new ATOM 0 HD22 LEU A 59 4.819 4.871 -1.717 1.00 0.00 H new ATOM 0 HD23 LEU A 59 5.471 3.895 -3.054 1.00 0.00 H new ATOM 981 N ASN A 60 8.083 7.651 -6.160 1.00 0.00 N ATOM 982 CA ASN A 60 9.095 7.261 -7.139 1.00 0.00 C ATOM 983 C ASN A 60 8.928 5.799 -7.551 1.00 0.00 C ATOM 984 O ASN A 60 9.899 5.113 -7.875 1.00 0.00 O ATOM 985 CB ASN A 60 10.507 7.506 -6.597 1.00 0.00 C ATOM 986 CG ASN A 60 10.831 8.979 -6.432 1.00 0.00 C ATOM 987 OD1 ASN A 60 11.312 9.625 -7.362 1.00 0.00 O ATOM 988 ND2 ASN A 60 10.586 9.517 -5.246 1.00 0.00 N ATOM 0 H ASN A 60 7.425 8.350 -6.505 1.00 0.00 H new ATOM 0 HA ASN A 60 8.955 7.882 -8.023 1.00 0.00 H new ATOM 0 HB2 ASN A 60 10.612 7.006 -5.634 1.00 0.00 H new ATOM 0 HB3 ASN A 60 11.233 7.053 -7.272 1.00 0.00 H new ATOM 0 HD21 ASN A 60 10.797 10.501 -5.079 1.00 0.00 H new ATOM 0 HD22 ASN A 60 10.186 8.947 -4.500 1.00 0.00 H new ATOM 995 N LEU A 61 7.684 5.340 -7.556 1.00 0.00 N ATOM 996 CA LEU A 61 7.361 3.980 -7.970 1.00 0.00 C ATOM 997 C LEU A 61 6.645 3.996 -9.311 1.00 0.00 C ATOM 998 O LEU A 61 6.451 5.054 -9.907 1.00 0.00 O ATOM 999 CB LEU A 61 6.488 3.280 -6.922 1.00 0.00 C ATOM 1000 CG LEU A 61 7.239 2.405 -5.912 1.00 0.00 C ATOM 1001 CD1 LEU A 61 8.199 3.228 -5.071 1.00 0.00 C ATOM 1002 CD2 LEU A 61 6.257 1.664 -5.018 1.00 0.00 C ATOM 0 H LEU A 61 6.875 5.895 -7.276 1.00 0.00 H new ATOM 0 HA LEU A 61 8.294 3.425 -8.067 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.930 4.039 -6.374 1.00 0.00 H new ATOM 0 HB3 LEU A 61 5.757 2.660 -7.440 1.00 0.00 H new ATOM 0 HG LEU A 61 7.825 1.677 -6.474 1.00 0.00 H new ATOM 0 HD11 LEU A 61 8.715 2.577 -4.366 1.00 0.00 H new ATOM 0 HD12 LEU A 61 8.930 3.711 -5.720 1.00 0.00 H new ATOM 0 HD13 LEU A 61 7.643 3.988 -4.523 1.00 0.00 H new ATOM 0 HD21 LEU A 61 6.806 1.047 -4.307 1.00 0.00 H new ATOM 0 HD22 LEU A 61 5.644 2.384 -4.476 1.00 0.00 H new ATOM 0 HD23 LEU A 61 5.616 1.029 -5.630 1.00 0.00 H new ATOM 1014 N SER A 62 6.244 2.824 -9.773 1.00 0.00 N ATOM 1015 CA SER A 62 5.586 2.698 -11.060 1.00 0.00 C ATOM 1016 C SER A 62 4.072 2.610 -10.887 1.00 0.00 C ATOM 1017 O SER A 62 3.582 2.019 -9.923 1.00 0.00 O ATOM 1018 CB SER A 62 6.113 1.459 -11.784 1.00 0.00 C ATOM 1019 OG SER A 62 5.384 1.203 -12.974 1.00 0.00 O ATOM 0 H SER A 62 6.364 1.943 -9.273 1.00 0.00 H new ATOM 0 HA SER A 62 5.805 3.583 -11.657 1.00 0.00 H new ATOM 0 HB2 SER A 62 7.167 1.598 -12.024 1.00 0.00 H new ATOM 0 HB3 SER A 62 6.048 0.595 -11.123 1.00 0.00 H new ATOM 0 HG SER A 62 5.746 0.406 -13.414 1.00 0.00 H new ATOM 1025 N TYR A 63 3.341 3.202 -11.827 1.00 0.00 N ATOM 1026 CA TYR A 63 1.883 3.167 -11.820 1.00 0.00 C ATOM 1027 C TYR A 63 1.398 1.728 -11.932 1.00 0.00 C ATOM 1028 O TYR A 63 0.355 1.367 -11.396 1.00 0.00 O ATOM 1029 CB TYR A 63 1.328 4.018 -12.972 1.00 0.00 C ATOM 1030 CG TYR A 63 -0.172 3.909 -13.173 1.00 0.00 C ATOM 1031 CD1 TYR A 63 -1.066 4.526 -12.303 1.00 0.00 C ATOM 1032 CD2 TYR A 63 -0.693 3.184 -14.238 1.00 0.00 C ATOM 1033 CE1 TYR A 63 -2.434 4.423 -12.492 1.00 0.00 C ATOM 1034 CE2 TYR A 63 -2.056 3.079 -14.432 1.00 0.00 C ATOM 1035 CZ TYR A 63 -2.922 3.698 -13.557 1.00 0.00 C ATOM 1036 OH TYR A 63 -4.280 3.593 -13.749 1.00 0.00 O ATOM 0 H TYR A 63 3.741 3.717 -12.611 1.00 0.00 H new ATOM 0 HA TYR A 63 1.520 3.583 -10.880 1.00 0.00 H new ATOM 0 HB2 TYR A 63 1.582 5.062 -12.790 1.00 0.00 H new ATOM 0 HB3 TYR A 63 1.827 3.725 -13.896 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -0.687 5.094 -11.467 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -0.020 2.694 -14.926 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -3.115 4.908 -11.808 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -2.442 2.513 -15.267 1.00 0.00 H new ATOM 0 HH TYR A 63 -4.737 3.637 -12.883 1.00 0.00 H new ATOM 1046 N LYS A 64 2.186 0.907 -12.615 1.00 0.00 N ATOM 1047 CA LYS A 64 1.888 -0.502 -12.748 1.00 0.00 C ATOM 1048 C LYS A 64 1.957 -1.161 -11.380 1.00 0.00 C ATOM 1049 O LYS A 64 1.074 -1.927 -11.004 1.00 0.00 O ATOM 1050 CB LYS A 64 2.883 -1.160 -13.704 1.00 0.00 C ATOM 1051 CG LYS A 64 2.772 -0.675 -15.143 1.00 0.00 C ATOM 1052 CD LYS A 64 1.448 -1.080 -15.777 1.00 0.00 C ATOM 1053 CE LYS A 64 1.297 -2.595 -15.856 1.00 0.00 C ATOM 1054 NZ LYS A 64 0.050 -2.992 -16.563 1.00 0.00 N ATOM 0 H LYS A 64 3.041 1.202 -13.086 1.00 0.00 H new ATOM 0 HA LYS A 64 0.885 -0.625 -13.156 1.00 0.00 H new ATOM 0 HB2 LYS A 64 3.895 -0.972 -13.345 1.00 0.00 H new ATOM 0 HB3 LYS A 64 2.733 -2.239 -13.682 1.00 0.00 H new ATOM 0 HG2 LYS A 64 2.870 0.410 -15.169 1.00 0.00 H new ATOM 0 HG3 LYS A 64 3.595 -1.084 -15.729 1.00 0.00 H new ATOM 0 HD2 LYS A 64 0.625 -0.663 -15.197 1.00 0.00 H new ATOM 0 HD3 LYS A 64 1.380 -0.655 -16.779 1.00 0.00 H new ATOM 0 HE2 LYS A 64 2.158 -3.019 -16.373 1.00 0.00 H new ATOM 0 HE3 LYS A 64 1.292 -3.012 -14.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -0.015 -4.029 -16.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -0.773 -2.609 -16.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 0.066 -2.616 -17.532 1.00 0.00 H new ATOM 1068 N GLN A 65 2.996 -0.820 -10.629 1.00 0.00 N ATOM 1069 CA GLN A 65 3.190 -1.358 -9.290 1.00 0.00 C ATOM 1070 C GLN A 65 2.084 -0.888 -8.350 1.00 0.00 C ATOM 1071 O GLN A 65 1.499 -1.690 -7.622 1.00 0.00 O ATOM 1072 CB GLN A 65 4.555 -0.937 -8.737 1.00 0.00 C ATOM 1073 CG GLN A 65 5.735 -1.560 -9.469 1.00 0.00 C ATOM 1074 CD GLN A 65 5.775 -3.075 -9.343 1.00 0.00 C ATOM 1075 OE1 GLN A 65 5.324 -3.639 -8.348 1.00 0.00 O ATOM 1076 NE2 GLN A 65 6.320 -3.743 -10.349 1.00 0.00 N ATOM 0 H GLN A 65 3.722 -0.169 -10.928 1.00 0.00 H new ATOM 0 HA GLN A 65 3.152 -2.445 -9.356 1.00 0.00 H new ATOM 0 HB2 GLN A 65 4.639 0.148 -8.790 1.00 0.00 H new ATOM 0 HB3 GLN A 65 4.609 -1.209 -7.683 1.00 0.00 H new ATOM 0 HG2 GLN A 65 5.686 -1.289 -10.524 1.00 0.00 H new ATOM 0 HG3 GLN A 65 6.662 -1.143 -9.075 1.00 0.00 H new ATOM 0 HE21 GLN A 65 6.683 -3.239 -11.158 1.00 0.00 H new ATOM 0 HE22 GLN A 65 6.376 -4.761 -10.314 1.00 0.00 H new ATOM 1085 N VAL A 66 1.780 0.409 -8.390 1.00 0.00 N ATOM 1086 CA VAL A 66 0.783 0.980 -7.485 1.00 0.00 C ATOM 1087 C VAL A 66 -0.615 0.430 -7.794 1.00 0.00 C ATOM 1088 O VAL A 66 -1.370 0.062 -6.887 1.00 0.00 O ATOM 1089 CB VAL A 66 0.774 2.531 -7.527 1.00 0.00 C ATOM 1090 CG1 VAL A 66 -0.304 3.091 -6.608 1.00 0.00 C ATOM 1091 CG2 VAL A 66 2.138 3.074 -7.127 1.00 0.00 C ATOM 0 H VAL A 66 2.205 1.078 -9.032 1.00 0.00 H new ATOM 0 HA VAL A 66 1.064 0.681 -6.475 1.00 0.00 H new ATOM 0 HB VAL A 66 0.552 2.845 -8.547 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -0.291 4.180 -6.654 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -1.280 2.726 -6.927 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -0.113 2.769 -5.584 1.00 0.00 H new ATOM 0 HG21 VAL A 66 2.120 4.163 -7.160 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.378 2.746 -6.116 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.894 2.703 -7.818 1.00 0.00 H new ATOM 1101 N LYS A 67 -0.939 0.337 -9.079 1.00 0.00 N ATOM 1102 CA LYS A 67 -2.247 -0.143 -9.510 1.00 0.00 C ATOM 1103 C LYS A 67 -2.409 -1.641 -9.247 1.00 0.00 C ATOM 1104 O LYS A 67 -3.443 -2.084 -8.742 1.00 0.00 O ATOM 1105 CB LYS A 67 -2.452 0.155 -10.999 1.00 0.00 C ATOM 1106 CG LYS A 67 -3.806 -0.272 -11.539 1.00 0.00 C ATOM 1107 CD LYS A 67 -3.904 -0.023 -13.034 1.00 0.00 C ATOM 1108 CE LYS A 67 -5.227 -0.511 -13.597 1.00 0.00 C ATOM 1109 NZ LYS A 67 -6.378 0.278 -13.090 1.00 0.00 N ATOM 0 H LYS A 67 -0.311 0.589 -9.843 1.00 0.00 H new ATOM 0 HA LYS A 67 -3.005 0.382 -8.929 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -2.329 1.225 -11.164 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -1.671 -0.348 -11.569 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -3.966 -1.330 -11.333 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -4.595 0.276 -11.024 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -3.794 1.043 -13.234 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -3.083 -0.529 -13.542 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -5.200 -0.453 -14.685 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -5.365 -1.560 -13.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -7.244 -0.011 -13.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -6.493 0.108 -12.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -6.205 1.290 -13.255 1.00 0.00 H new ATOM 1123 N THR A 68 -1.380 -2.412 -9.572 1.00 0.00 N ATOM 1124 CA THR A 68 -1.436 -3.863 -9.426 1.00 0.00 C ATOM 1125 C THR A 68 -1.549 -4.267 -7.959 1.00 0.00 C ATOM 1126 O THR A 68 -2.271 -5.212 -7.628 1.00 0.00 O ATOM 1127 CB THR A 68 -0.208 -4.551 -10.065 1.00 0.00 C ATOM 1128 OG1 THR A 68 -0.119 -4.194 -11.450 1.00 0.00 O ATOM 1129 CG2 THR A 68 -0.295 -6.066 -9.942 1.00 0.00 C ATOM 0 H THR A 68 -0.496 -2.059 -9.938 1.00 0.00 H new ATOM 0 HA THR A 68 -2.329 -4.198 -9.953 1.00 0.00 H new ATOM 0 HB THR A 68 0.681 -4.212 -9.533 1.00 0.00 H new ATOM 0 HG1 THR A 68 0.482 -3.427 -11.552 1.00 0.00 H new ATOM 0 HG21 THR A 68 0.584 -6.519 -10.401 1.00 0.00 H new ATOM 0 HG22 THR A 68 -0.338 -6.344 -8.889 1.00 0.00 H new ATOM 0 HG23 THR A 68 -1.193 -6.421 -10.448 1.00 0.00 H new ATOM 1137 N TRP A 69 -0.858 -3.545 -7.080 1.00 0.00 N ATOM 1138 CA TRP A 69 -0.929 -3.835 -5.656 1.00 0.00 C ATOM 1139 C TRP A 69 -2.350 -3.606 -5.154 1.00 0.00 C ATOM 1140 O TRP A 69 -2.881 -4.396 -4.374 1.00 0.00 O ATOM 1141 CB TRP A 69 0.055 -2.969 -4.868 1.00 0.00 C ATOM 1142 CG TRP A 69 0.177 -3.386 -3.433 1.00 0.00 C ATOM 1143 CD1 TRP A 69 1.003 -4.351 -2.934 1.00 0.00 C ATOM 1144 CD2 TRP A 69 -0.553 -2.863 -2.315 1.00 0.00 C ATOM 1145 NE1 TRP A 69 0.830 -4.464 -1.577 1.00 0.00 N ATOM 1146 CE2 TRP A 69 -0.116 -3.562 -1.171 1.00 0.00 C ATOM 1147 CE3 TRP A 69 -1.533 -1.875 -2.164 1.00 0.00 C ATOM 1148 CZ2 TRP A 69 -0.623 -3.303 0.100 1.00 0.00 C ATOM 1149 CZ3 TRP A 69 -2.034 -1.619 -0.902 1.00 0.00 C ATOM 1150 CH2 TRP A 69 -1.579 -2.330 0.215 1.00 0.00 C ATOM 0 H TRP A 69 -0.250 -2.764 -7.328 1.00 0.00 H new ATOM 0 HA TRP A 69 -0.655 -4.879 -5.503 1.00 0.00 H new ATOM 0 HB2 TRP A 69 1.036 -3.020 -5.341 1.00 0.00 H new ATOM 0 HB3 TRP A 69 -0.267 -1.929 -4.913 1.00 0.00 H new ATOM 0 HD1 TRP A 69 1.692 -4.940 -3.521 1.00 0.00 H new ATOM 0 HE1 TRP A 69 1.327 -5.115 -0.969 1.00 0.00 H new ATOM 0 HE3 TRP A 69 -1.892 -1.322 -3.020 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 -0.275 -3.850 0.964 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 -2.789 -0.858 -0.775 1.00 0.00 H new ATOM 0 HH2 TRP A 69 -1.991 -2.106 1.188 1.00 0.00 H new ATOM 1161 N PHE A 70 -2.965 -2.528 -5.629 1.00 0.00 N ATOM 1162 CA PHE A 70 -4.351 -2.220 -5.293 1.00 0.00 C ATOM 1163 C PHE A 70 -5.280 -3.358 -5.721 1.00 0.00 C ATOM 1164 O PHE A 70 -6.177 -3.754 -4.974 1.00 0.00 O ATOM 1165 CB PHE A 70 -4.770 -0.906 -5.958 1.00 0.00 C ATOM 1166 CG PHE A 70 -6.228 -0.591 -5.811 1.00 0.00 C ATOM 1167 CD1 PHE A 70 -6.782 -0.367 -4.564 1.00 0.00 C ATOM 1168 CD2 PHE A 70 -7.043 -0.522 -6.927 1.00 0.00 C ATOM 1169 CE1 PHE A 70 -8.126 -0.085 -4.430 1.00 0.00 C ATOM 1170 CE2 PHE A 70 -8.388 -0.243 -6.802 1.00 0.00 C ATOM 1171 CZ PHE A 70 -8.930 -0.020 -5.552 1.00 0.00 C ATOM 0 H PHE A 70 -2.523 -1.850 -6.250 1.00 0.00 H new ATOM 0 HA PHE A 70 -4.430 -2.109 -4.212 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -4.187 -0.091 -5.530 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -4.523 -0.952 -7.019 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -6.156 -0.413 -3.685 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -6.621 -0.689 -7.907 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -8.549 0.085 -3.451 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -9.016 -0.199 -7.680 1.00 0.00 H new ATOM 0 HZ PHE A 70 -9.981 0.205 -5.451 1.00 0.00 H new ATOM 1181 N GLN A 71 -5.052 -3.880 -6.922 1.00 0.00 N ATOM 1182 CA GLN A 71 -5.844 -4.997 -7.439 1.00 0.00 C ATOM 1183 C GLN A 71 -5.621 -6.248 -6.593 1.00 0.00 C ATOM 1184 O GLN A 71 -6.562 -6.967 -6.264 1.00 0.00 O ATOM 1185 CB GLN A 71 -5.469 -5.297 -8.893 1.00 0.00 C ATOM 1186 CG GLN A 71 -5.664 -4.129 -9.845 1.00 0.00 C ATOM 1187 CD GLN A 71 -7.118 -3.727 -9.997 1.00 0.00 C ATOM 1188 OE1 GLN A 71 -7.830 -4.236 -10.862 1.00 0.00 O ATOM 1189 NE2 GLN A 71 -7.564 -2.802 -9.166 1.00 0.00 N ATOM 0 H GLN A 71 -4.326 -3.549 -7.557 1.00 0.00 H new ATOM 0 HA GLN A 71 -6.895 -4.713 -7.391 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -4.425 -5.609 -8.929 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -6.066 -6.139 -9.243 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -5.092 -3.274 -9.485 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -5.261 -4.393 -10.823 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -6.941 -2.405 -8.463 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -8.531 -2.485 -9.228 1.00 0.00 H new ATOM 1198 N ASN A 72 -4.366 -6.481 -6.236 1.00 0.00 N ATOM 1199 CA ASN A 72 -3.964 -7.665 -5.486 1.00 0.00 C ATOM 1200 C ASN A 72 -4.580 -7.636 -4.093 1.00 0.00 C ATOM 1201 O ASN A 72 -5.121 -8.634 -3.624 1.00 0.00 O ATOM 1202 CB ASN A 72 -2.433 -7.726 -5.394 1.00 0.00 C ATOM 1203 CG ASN A 72 -1.901 -9.096 -5.000 1.00 0.00 C ATOM 1204 OD1 ASN A 72 -2.554 -9.861 -4.295 1.00 0.00 O ATOM 1205 ND2 ASN A 72 -0.699 -9.411 -5.459 1.00 0.00 N ATOM 0 H ASN A 72 -3.594 -5.852 -6.459 1.00 0.00 H new ATOM 0 HA ASN A 72 -4.321 -8.555 -6.004 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -2.008 -7.444 -6.357 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -2.091 -6.990 -4.666 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -0.286 -10.315 -5.229 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -0.186 -8.750 -6.042 1.00 0.00 H new ATOM 1212 N GLN A 73 -4.513 -6.475 -3.450 1.00 0.00 N ATOM 1213 CA GLN A 73 -5.110 -6.287 -2.134 1.00 0.00 C ATOM 1214 C GLN A 73 -6.600 -6.616 -2.171 1.00 0.00 C ATOM 1215 O GLN A 73 -7.126 -7.279 -1.279 1.00 0.00 O ATOM 1216 CB GLN A 73 -4.911 -4.846 -1.662 1.00 0.00 C ATOM 1217 CG GLN A 73 -5.511 -4.562 -0.292 1.00 0.00 C ATOM 1218 CD GLN A 73 -5.514 -3.085 0.051 1.00 0.00 C ATOM 1219 OE1 GLN A 73 -5.420 -2.705 1.215 1.00 0.00 O ATOM 1220 NE2 GLN A 73 -5.630 -2.246 -0.965 1.00 0.00 N ATOM 0 H GLN A 73 -4.049 -5.647 -3.822 1.00 0.00 H new ATOM 0 HA GLN A 73 -4.617 -6.962 -1.435 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -3.844 -4.626 -1.634 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -5.357 -4.169 -2.391 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -6.533 -4.940 -0.262 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -4.948 -5.106 0.467 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -5.705 -2.605 -1.917 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -5.644 -1.240 -0.797 1.00 0.00 H new ATOM 1229 N ARG A 74 -7.271 -6.155 -3.217 1.00 0.00 N ATOM 1230 CA ARG A 74 -8.696 -6.398 -3.370 1.00 0.00 C ATOM 1231 C ARG A 74 -8.972 -7.860 -3.715 1.00 0.00 C ATOM 1232 O ARG A 74 -9.931 -8.446 -3.208 1.00 0.00 O ATOM 1233 CB ARG A 74 -9.291 -5.474 -4.438 1.00 0.00 C ATOM 1234 CG ARG A 74 -10.795 -5.639 -4.649 1.00 0.00 C ATOM 1235 CD ARG A 74 -11.608 -5.298 -3.399 1.00 0.00 C ATOM 1236 NE ARG A 74 -11.564 -6.360 -2.389 1.00 0.00 N ATOM 1237 CZ ARG A 74 -12.277 -6.349 -1.259 1.00 0.00 C ATOM 1238 NH1 ARG A 74 -13.086 -5.335 -0.985 1.00 0.00 N ATOM 1239 NH2 ARG A 74 -12.184 -7.351 -0.396 1.00 0.00 N ATOM 0 H ARG A 74 -6.851 -5.611 -3.971 1.00 0.00 H new ATOM 0 HA ARG A 74 -9.176 -6.180 -2.416 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -9.087 -4.440 -4.161 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -8.782 -5.657 -5.384 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -11.115 -4.999 -5.471 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -11.006 -6.667 -4.945 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -11.228 -4.373 -2.965 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -12.644 -5.115 -3.683 1.00 0.00 H new ATOM 0 HE ARG A 74 -10.951 -7.157 -2.560 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -13.167 -4.556 -1.639 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -13.627 -5.334 -0.120 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -11.565 -8.137 -0.592 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -12.731 -7.335 0.464 1.00 0.00 H new ATOM 1253 N MET A 75 -8.129 -8.457 -4.557 1.00 0.00 N ATOM 1254 CA MET A 75 -8.365 -9.830 -5.002 1.00 0.00 C ATOM 1255 C MET A 75 -8.079 -10.837 -3.888 1.00 0.00 C ATOM 1256 O MET A 75 -8.463 -11.998 -3.994 1.00 0.00 O ATOM 1257 CB MET A 75 -7.527 -10.173 -6.243 1.00 0.00 C ATOM 1258 CG MET A 75 -6.042 -10.362 -5.966 1.00 0.00 C ATOM 1259 SD MET A 75 -5.115 -10.871 -7.425 1.00 0.00 S ATOM 1260 CE MET A 75 -5.418 -9.494 -8.529 1.00 0.00 C ATOM 0 H MET A 75 -7.290 -8.021 -4.939 1.00 0.00 H new ATOM 0 HA MET A 75 -9.420 -9.897 -5.268 1.00 0.00 H new ATOM 0 HB2 MET A 75 -7.920 -11.086 -6.691 1.00 0.00 H new ATOM 0 HB3 MET A 75 -7.649 -9.379 -6.980 1.00 0.00 H new ATOM 0 HG2 MET A 75 -5.627 -9.429 -5.586 1.00 0.00 H new ATOM 0 HG3 MET A 75 -5.916 -11.110 -5.183 1.00 0.00 H new ATOM 0 HE1 MET A 75 -4.499 -9.244 -9.059 1.00 0.00 H new ATOM 0 HE2 MET A 75 -6.190 -9.768 -9.249 1.00 0.00 H new ATOM 0 HE3 MET A 75 -5.750 -8.631 -7.952 1.00 0.00 H new ATOM 1270 N LYS A 76 -7.413 -10.385 -2.824 1.00 0.00 N ATOM 1271 CA LYS A 76 -7.073 -11.250 -1.691 1.00 0.00 C ATOM 1272 C LYS A 76 -8.282 -12.032 -1.188 1.00 0.00 C ATOM 1273 O LYS A 76 -8.202 -13.236 -0.993 1.00 0.00 O ATOM 1274 CB LYS A 76 -6.489 -10.436 -0.531 1.00 0.00 C ATOM 1275 CG LYS A 76 -5.106 -9.873 -0.801 1.00 0.00 C ATOM 1276 CD LYS A 76 -4.089 -10.977 -1.036 1.00 0.00 C ATOM 1277 CE LYS A 76 -2.701 -10.404 -1.261 1.00 0.00 C ATOM 1278 NZ LYS A 76 -1.686 -11.468 -1.466 1.00 0.00 N ATOM 0 H LYS A 76 -7.097 -9.421 -2.722 1.00 0.00 H new ATOM 0 HA LYS A 76 -6.326 -11.956 -2.055 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -7.166 -9.613 -0.302 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -6.445 -11.068 0.356 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -5.142 -9.219 -1.673 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -4.791 -9.261 0.044 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -4.073 -11.650 -0.178 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -4.385 -11.570 -1.901 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -2.717 -9.746 -2.130 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -2.418 -9.793 -0.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -0.753 -11.034 -1.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -1.652 -12.081 -0.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -1.941 -12.036 -2.299 1.00 0.00 H new ATOM 1292 N SER A 77 -9.398 -11.345 -1.002 1.00 0.00 N ATOM 1293 CA SER A 77 -10.589 -11.951 -0.411 1.00 0.00 C ATOM 1294 C SER A 77 -11.134 -13.108 -1.251 1.00 0.00 C ATOM 1295 O SER A 77 -11.715 -14.054 -0.718 1.00 0.00 O ATOM 1296 CB SER A 77 -11.665 -10.883 -0.240 1.00 0.00 C ATOM 1297 OG SER A 77 -11.139 -9.756 0.440 1.00 0.00 O ATOM 0 H SER A 77 -9.508 -10.362 -1.252 1.00 0.00 H new ATOM 0 HA SER A 77 -10.306 -12.364 0.557 1.00 0.00 H new ATOM 0 HB2 SER A 77 -12.046 -10.582 -1.216 1.00 0.00 H new ATOM 0 HB3 SER A 77 -12.507 -11.292 0.318 1.00 0.00 H new ATOM 0 HG SER A 77 -11.805 -9.416 1.074 1.00 0.00 H new ATOM 1303 N LYS A 78 -10.961 -13.023 -2.563 1.00 0.00 N ATOM 1304 CA LYS A 78 -11.489 -14.037 -3.468 1.00 0.00 C ATOM 1305 C LYS A 78 -10.419 -15.062 -3.848 1.00 0.00 C ATOM 1306 O LYS A 78 -10.725 -16.223 -4.119 1.00 0.00 O ATOM 1307 CB LYS A 78 -12.058 -13.364 -4.720 1.00 0.00 C ATOM 1308 CG LYS A 78 -12.778 -14.312 -5.664 1.00 0.00 C ATOM 1309 CD LYS A 78 -13.444 -13.549 -6.797 1.00 0.00 C ATOM 1310 CE LYS A 78 -14.171 -14.479 -7.757 1.00 0.00 C ATOM 1311 NZ LYS A 78 -14.877 -13.720 -8.823 1.00 0.00 N ATOM 0 H LYS A 78 -10.460 -12.264 -3.025 1.00 0.00 H new ATOM 0 HA LYS A 78 -12.286 -14.574 -2.954 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -12.750 -12.579 -4.414 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -11.244 -12.880 -5.260 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -12.069 -15.032 -6.073 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -13.528 -14.880 -5.113 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -14.151 -12.829 -6.384 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -12.692 -12.980 -7.343 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -13.456 -15.166 -8.211 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -14.889 -15.085 -7.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -15.362 -14.385 -9.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -15.576 -13.083 -8.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -14.188 -13.161 -9.366 1.00 0.00 H new ATOM 1325 N ARG A 79 -9.165 -14.625 -3.850 1.00 0.00 N ATOM 1326 CA ARG A 79 -8.061 -15.440 -4.353 1.00 0.00 C ATOM 1327 C ARG A 79 -7.241 -16.053 -3.211 1.00 0.00 C ATOM 1328 O ARG A 79 -6.369 -16.894 -3.440 1.00 0.00 O ATOM 1329 CB ARG A 79 -7.182 -14.575 -5.270 1.00 0.00 C ATOM 1330 CG ARG A 79 -5.986 -15.288 -5.885 1.00 0.00 C ATOM 1331 CD ARG A 79 -5.283 -14.394 -6.893 1.00 0.00 C ATOM 1332 NE ARG A 79 -3.942 -14.875 -7.230 1.00 0.00 N ATOM 1333 CZ ARG A 79 -3.360 -14.677 -8.413 1.00 0.00 C ATOM 1334 NH1 ARG A 79 -4.038 -14.122 -9.408 1.00 0.00 N ATOM 1335 NH2 ARG A 79 -2.100 -15.053 -8.602 1.00 0.00 N ATOM 0 H ARG A 79 -8.885 -13.706 -3.507 1.00 0.00 H new ATOM 0 HA ARG A 79 -8.468 -16.275 -4.923 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -7.803 -14.181 -6.075 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -6.820 -13.720 -4.699 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -5.287 -15.578 -5.100 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -6.316 -16.205 -6.373 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -5.883 -14.334 -7.801 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -5.212 -13.384 -6.490 1.00 0.00 H new ATOM 0 HE ARG A 79 -3.423 -15.391 -6.519 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -5.010 -13.844 -9.270 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -3.588 -13.973 -10.311 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -1.580 -15.492 -7.843 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -1.653 -14.902 -9.506 1.00 0.00 H new ATOM 1349 N TRP A 80 -7.516 -15.641 -1.982 1.00 0.00 N ATOM 1350 CA TRP A 80 -6.815 -16.182 -0.827 1.00 0.00 C ATOM 1351 C TRP A 80 -7.769 -16.356 0.346 1.00 0.00 C ATOM 1352 O TRP A 80 -8.377 -15.395 0.816 1.00 0.00 O ATOM 1353 CB TRP A 80 -5.648 -15.272 -0.430 1.00 0.00 C ATOM 1354 CG TRP A 80 -4.756 -15.860 0.620 1.00 0.00 C ATOM 1355 CD1 TRP A 80 -3.791 -16.806 0.431 1.00 0.00 C ATOM 1356 CD2 TRP A 80 -4.741 -15.541 2.016 1.00 0.00 C ATOM 1357 NE1 TRP A 80 -3.176 -17.095 1.623 1.00 0.00 N ATOM 1358 CE2 TRP A 80 -3.741 -16.332 2.611 1.00 0.00 C ATOM 1359 CE3 TRP A 80 -5.472 -14.662 2.822 1.00 0.00 C ATOM 1360 CZ2 TRP A 80 -3.459 -16.276 3.973 1.00 0.00 C ATOM 1361 CZ3 TRP A 80 -5.192 -14.606 4.174 1.00 0.00 C ATOM 1362 CH2 TRP A 80 -4.192 -15.407 4.737 1.00 0.00 C ATOM 0 H TRP A 80 -8.218 -14.935 -1.759 1.00 0.00 H new ATOM 0 HA TRP A 80 -6.417 -17.160 -1.098 1.00 0.00 H new ATOM 0 HB2 TRP A 80 -5.054 -15.050 -1.317 1.00 0.00 H new ATOM 0 HB3 TRP A 80 -6.045 -14.324 -0.067 1.00 0.00 H new ATOM 0 HD1 TRP A 80 -3.547 -17.261 -0.518 1.00 0.00 H new ATOM 0 HE1 TRP A 80 -2.421 -17.768 1.753 1.00 0.00 H new ATOM 0 HE3 TRP A 80 -6.243 -14.037 2.395 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -2.690 -16.895 4.411 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 -5.753 -13.934 4.806 1.00 0.00 H new ATOM 0 HH2 TRP A 80 -3.994 -15.338 5.796 1.00 0.00 H new ATOM 1373 N GLN A 81 -7.899 -17.589 0.806 1.00 0.00 N ATOM 1374 CA GLN A 81 -8.767 -17.901 1.934 1.00 0.00 C ATOM 1375 C GLN A 81 -8.011 -18.770 2.936 1.00 0.00 C ATOM 1376 O GLN A 81 -8.564 -19.216 3.944 1.00 0.00 O ATOM 1377 CB GLN A 81 -10.022 -18.625 1.434 1.00 0.00 C ATOM 1378 CG GLN A 81 -11.120 -18.755 2.479 1.00 0.00 C ATOM 1379 CD GLN A 81 -12.281 -19.602 2.002 1.00 0.00 C ATOM 1380 OE1 GLN A 81 -13.236 -19.094 1.415 1.00 0.00 O ATOM 1381 NE2 GLN A 81 -12.211 -20.898 2.253 1.00 0.00 N ATOM 0 H GLN A 81 -7.413 -18.396 0.415 1.00 0.00 H new ATOM 0 HA GLN A 81 -9.070 -16.978 2.429 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -10.418 -18.090 0.571 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -9.742 -19.621 1.091 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -10.703 -19.194 3.386 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -11.484 -17.762 2.744 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -11.402 -21.280 2.742 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -12.966 -21.516 1.957 1.00 0.00 H new ATOM 1390 N LYS A 82 -6.729 -18.978 2.647 1.00 0.00 N ATOM 1391 CA LYS A 82 -5.878 -19.872 3.424 1.00 0.00 C ATOM 1392 C LYS A 82 -6.480 -21.275 3.413 1.00 0.00 C ATOM 1393 O LYS A 82 -7.150 -21.696 4.356 1.00 0.00 O ATOM 1394 CB LYS A 82 -5.683 -19.353 4.864 1.00 0.00 C ATOM 1395 CG LYS A 82 -4.474 -19.939 5.596 1.00 0.00 C ATOM 1396 CD LYS A 82 -4.743 -21.337 6.141 1.00 0.00 C ATOM 1397 CE LYS A 82 -3.514 -21.912 6.827 1.00 0.00 C ATOM 1398 NZ LYS A 82 -3.797 -23.204 7.506 1.00 0.00 N ATOM 0 H LYS A 82 -6.251 -18.530 1.865 1.00 0.00 H new ATOM 0 HA LYS A 82 -4.889 -19.907 2.967 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -5.582 -18.268 4.834 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -6.582 -19.574 5.440 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -3.624 -19.975 4.915 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -4.196 -19.279 6.418 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -5.572 -21.300 6.848 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -5.048 -21.994 5.326 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -2.724 -22.057 6.090 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -3.140 -21.195 7.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -2.910 -23.606 7.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -4.455 -23.045 8.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -4.224 -23.867 6.827 1.00 0.00 H new ATOM 1412 N ASN A 83 -6.274 -21.981 2.317 1.00 0.00 N ATOM 1413 CA ASN A 83 -6.803 -23.325 2.165 1.00 0.00 C ATOM 1414 C ASN A 83 -5.687 -24.334 2.381 1.00 0.00 C ATOM 1415 O ASN A 83 -5.155 -24.910 1.431 1.00 0.00 O ATOM 1416 CB ASN A 83 -7.428 -23.508 0.779 1.00 0.00 C ATOM 1417 CG ASN A 83 -8.136 -24.842 0.619 1.00 0.00 C ATOM 1418 OD1 ASN A 83 -8.126 -25.434 -0.457 1.00 0.00 O ATOM 1419 ND2 ASN A 83 -8.777 -25.313 1.679 1.00 0.00 N ATOM 0 H ASN A 83 -5.741 -21.645 1.515 1.00 0.00 H new ATOM 0 HA ASN A 83 -7.583 -23.486 2.909 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -8.139 -22.702 0.598 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -6.649 -23.423 0.021 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -9.285 -26.196 1.618 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -8.763 -24.793 2.556 1.00 0.00 H new ATOM 1426 N ASN A 84 -5.301 -24.498 3.635 1.00 0.00 N ATOM 1427 CA ASN A 84 -4.210 -25.389 4.000 1.00 0.00 C ATOM 1428 C ASN A 84 -4.562 -26.116 5.283 1.00 0.00 C ATOM 1429 O ASN A 84 -4.959 -27.294 5.216 1.00 0.00 O ATOM 1430 CB ASN A 84 -2.900 -24.612 4.203 1.00 0.00 C ATOM 1431 CG ASN A 84 -2.431 -23.900 2.951 1.00 0.00 C ATOM 1432 OD1 ASN A 84 -2.784 -22.744 2.711 1.00 0.00 O ATOM 1433 ND2 ASN A 84 -1.629 -24.578 2.147 1.00 0.00 N ATOM 1434 OXT ASN A 84 -4.461 -25.489 6.354 1.00 0.00 O ATOM 0 H ASN A 84 -5.732 -24.020 4.426 1.00 0.00 H new ATOM 0 HA ASN A 84 -4.066 -26.102 3.188 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -3.038 -23.881 4.999 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -2.123 -25.301 4.534 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -1.279 -24.145 1.292 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -1.360 -25.533 2.382 1.00 0.00 H new TER 1441 ASN A 84