USER MOD reduce.3.24.130724 H: found=0, std=0, add=713, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 715 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 Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 0.547 K(o=0.55,f=-0.88) USER MOD Single : A 25 GLN : amide:sc= -0.83 X(o=-0.83,f=-0.9) USER MOD Single : A 33 LYS NZ :NH3+ 155:sc= 0.602 (180deg=0.244) USER MOD Single : A 35 LYS NZ :NH3+ 162:sc= -0.0191 (180deg=-0.191) USER MOD Single : A 36 ASN : amide:sc= -0.297 X(o=-0.3,f=-0.0035) USER MOD Single : A 39 HIS : no HD1:sc= -0.0678 X(o=-0.068,f=-0.0062) USER MOD Single : A 40 LYS NZ :NH3+ 133:sc= 0.363 (180deg=-0.00783) USER MOD Single : A 43 SER OG : rot 66:sc= 1.22 USER MOD Single : A 44 LYS NZ :NH3+ -168:sc= 0.39 (180deg=0.335) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 ASN :FLIP amide:sc= 0.231 F(o=-2.5!,f=0.23) USER MOD Single : A 53 TYR OH : rot 180:sc= -0.108 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 THR OG1 : rot 34:sc= 0.816 USER MOD Single : A 61 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0394) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 102:sc= -0.537 USER MOD Single : A 70 SER OG : rot 14:sc= 1.24 USER MOD Single : A 73 HIS : no HD1:sc= -0.12 X(o=-0.12,f=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= 1.14 K(o=1.1,f=-0.057) USER MOD Single : A 84 TYR OH : rot 3:sc= 1.1 USER MOD Single : A 85 LYS NZ :NH3+ 161:sc= 0.966 (180deg=0.629) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 GLN : amide:sc= -1.37 X(o=-1.4,f=-1.1) USER MOD Single : A 90 HIS : no HD1:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 49 LYS NZ :NH3+ 180:sc= 0.291 (180deg=0.291) USER MOD Single : B 51 ASN : amide:sc= -0.203 X(o=-0.2,f=-0.065) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 15 17.430 -13.874 -15.287 1.00 0.00 N ATOM 2 CA ASP A 15 17.410 -13.545 -13.854 1.00 0.00 C ATOM 3 C ASP A 15 17.709 -14.706 -12.877 1.00 0.00 C ATOM 4 O ASP A 15 17.552 -14.575 -11.667 1.00 0.00 O ATOM 5 CB ASP A 15 16.121 -12.770 -13.548 1.00 0.00 C ATOM 6 CG ASP A 15 16.201 -11.326 -14.056 1.00 0.00 C ATOM 7 OD1 ASP A 15 16.291 -11.123 -15.295 1.00 0.00 O ATOM 8 OD2 ASP A 15 16.221 -10.436 -13.180 1.00 0.00 O ATOM 0 HA ASP A 15 18.271 -12.906 -13.659 1.00 0.00 H new ATOM 0 HB2 ASP A 15 15.273 -13.274 -14.012 1.00 0.00 H new ATOM 0 HB3 ASP A 15 15.942 -12.769 -12.473 1.00 0.00 H new ATOM 13 N SER A 16 18.201 -15.834 -13.390 1.00 0.00 N ATOM 14 CA SER A 16 18.495 -17.070 -12.638 1.00 0.00 C ATOM 15 C SER A 16 19.966 -17.479 -12.679 1.00 0.00 C ATOM 16 O SER A 16 20.338 -18.551 -12.199 1.00 0.00 O ATOM 17 CB SER A 16 17.584 -18.195 -13.116 1.00 0.00 C ATOM 18 OG SER A 16 16.256 -17.907 -12.763 1.00 0.00 O ATOM 0 H SER A 16 18.417 -15.923 -14.383 1.00 0.00 H new ATOM 0 HA SER A 16 18.289 -16.862 -11.588 1.00 0.00 H new ATOM 0 HB2 SER A 16 17.667 -18.310 -14.197 1.00 0.00 H new ATOM 0 HB3 SER A 16 17.893 -19.141 -12.671 1.00 0.00 H new ATOM 0 HG SER A 16 15.671 -18.630 -13.072 1.00 0.00 H new ATOM 24 N VAL A 17 20.831 -16.614 -13.220 1.00 0.00 N ATOM 25 CA VAL A 17 22.250 -16.911 -13.425 1.00 0.00 C ATOM 26 C VAL A 17 23.120 -15.685 -13.162 1.00 0.00 C ATOM 27 O VAL A 17 22.626 -14.558 -13.157 1.00 0.00 O ATOM 28 CB VAL A 17 22.476 -17.449 -14.849 1.00 0.00 C ATOM 29 CG1 VAL A 17 21.497 -18.557 -15.243 1.00 0.00 C ATOM 30 CG2 VAL A 17 22.433 -16.338 -15.902 1.00 0.00 C ATOM 0 H VAL A 17 20.562 -15.680 -13.530 1.00 0.00 H new ATOM 0 HA VAL A 17 22.545 -17.678 -12.709 1.00 0.00 H new ATOM 0 HB VAL A 17 23.477 -17.880 -14.825 1.00 0.00 H new ATOM 0 HG11 VAL A 17 21.713 -18.890 -16.258 1.00 0.00 H new ATOM 0 HG12 VAL A 17 21.602 -19.397 -14.556 1.00 0.00 H new ATOM 0 HG13 VAL A 17 20.477 -18.175 -15.196 1.00 0.00 H new ATOM 0 HG21 VAL A 17 22.598 -16.767 -16.890 1.00 0.00 H new ATOM 0 HG22 VAL A 17 21.459 -15.850 -15.876 1.00 0.00 H new ATOM 0 HG23 VAL A 17 23.212 -15.606 -15.690 1.00 0.00 H new ATOM 40 N ILE A 18 24.428 -15.899 -13.005 1.00 0.00 N ATOM 41 CA ILE A 18 25.391 -14.821 -12.756 1.00 0.00 C ATOM 42 C ILE A 18 26.579 -14.912 -13.722 1.00 0.00 C ATOM 43 O ILE A 18 26.999 -16.003 -14.109 1.00 0.00 O ATOM 44 CB ILE A 18 25.839 -14.788 -11.272 1.00 0.00 C ATOM 45 CG1 ILE A 18 26.797 -15.935 -10.889 1.00 0.00 C ATOM 46 CG2 ILE A 18 24.606 -14.799 -10.349 1.00 0.00 C ATOM 47 CD1 ILE A 18 27.418 -15.791 -9.492 1.00 0.00 C ATOM 0 H ILE A 18 24.851 -16.826 -13.047 1.00 0.00 H new ATOM 0 HA ILE A 18 24.891 -13.872 -12.949 1.00 0.00 H new ATOM 0 HB ILE A 18 26.400 -13.863 -11.141 1.00 0.00 H new ATOM 0 HG12 ILE A 18 26.255 -16.879 -10.939 1.00 0.00 H new ATOM 0 HG13 ILE A 18 27.597 -15.988 -11.627 1.00 0.00 H new ATOM 0 HG21 ILE A 18 24.930 -14.776 -9.309 1.00 0.00 H new ATOM 0 HG22 ILE A 18 23.988 -13.925 -10.556 1.00 0.00 H new ATOM 0 HG23 ILE A 18 24.026 -15.704 -10.528 1.00 0.00 H new ATOM 0 HD11 ILE A 18 28.078 -16.636 -9.299 1.00 0.00 H new ATOM 0 HD12 ILE A 18 27.990 -14.865 -9.442 1.00 0.00 H new ATOM 0 HD13 ILE A 18 26.627 -15.770 -8.743 1.00 0.00 H new ATOM 59 N VAL A 19 27.150 -13.757 -14.074 1.00 0.00 N ATOM 60 CA VAL A 19 28.358 -13.655 -14.884 1.00 0.00 C ATOM 61 C VAL A 19 29.304 -12.648 -14.246 1.00 0.00 C ATOM 62 O VAL A 19 28.917 -11.562 -13.818 1.00 0.00 O ATOM 63 CB VAL A 19 28.008 -13.266 -16.333 1.00 0.00 C ATOM 64 CG1 VAL A 19 29.245 -12.832 -17.123 1.00 0.00 C ATOM 65 CG2 VAL A 19 27.407 -14.479 -17.052 1.00 0.00 C ATOM 0 H VAL A 19 26.775 -12.850 -13.796 1.00 0.00 H new ATOM 0 HA VAL A 19 28.856 -14.624 -14.923 1.00 0.00 H new ATOM 0 HB VAL A 19 27.305 -12.435 -16.284 1.00 0.00 H new ATOM 0 HG11 VAL A 19 28.953 -12.566 -18.139 1.00 0.00 H new ATOM 0 HG12 VAL A 19 29.701 -11.968 -16.639 1.00 0.00 H new ATOM 0 HG13 VAL A 19 29.963 -13.652 -17.154 1.00 0.00 H new ATOM 0 HG21 VAL A 19 27.158 -14.207 -18.078 1.00 0.00 H new ATOM 0 HG22 VAL A 19 28.131 -15.294 -17.058 1.00 0.00 H new ATOM 0 HG23 VAL A 19 26.504 -14.799 -16.532 1.00 0.00 H new ATOM 75 N VAL A 20 30.578 -13.013 -14.220 1.00 0.00 N ATOM 76 CA VAL A 20 31.643 -12.192 -13.668 1.00 0.00 C ATOM 77 C VAL A 20 32.523 -11.678 -14.804 1.00 0.00 C ATOM 78 O VAL A 20 32.685 -12.341 -15.831 1.00 0.00 O ATOM 79 CB VAL A 20 32.454 -12.975 -12.611 1.00 0.00 C ATOM 80 CG1 VAL A 20 31.638 -14.027 -11.830 1.00 0.00 C ATOM 81 CG2 VAL A 20 33.682 -13.662 -13.204 1.00 0.00 C ATOM 0 H VAL A 20 30.905 -13.906 -14.590 1.00 0.00 H new ATOM 0 HA VAL A 20 31.212 -11.333 -13.154 1.00 0.00 H new ATOM 0 HB VAL A 20 32.763 -12.201 -11.909 1.00 0.00 H new ATOM 0 HG11 VAL A 20 32.285 -14.528 -11.110 1.00 0.00 H new ATOM 0 HG12 VAL A 20 30.821 -13.535 -11.302 1.00 0.00 H new ATOM 0 HG13 VAL A 20 31.231 -14.761 -12.525 1.00 0.00 H new ATOM 0 HG21 VAL A 20 34.215 -14.197 -12.418 1.00 0.00 H new ATOM 0 HG22 VAL A 20 33.368 -14.367 -13.974 1.00 0.00 H new ATOM 0 HG23 VAL A 20 34.341 -12.913 -13.644 1.00 0.00 H new ATOM 91 N ASP A 21 33.175 -10.544 -14.567 1.00 0.00 N ATOM 92 CA ASP A 21 34.140 -9.971 -15.491 1.00 0.00 C ATOM 93 C ASP A 21 35.453 -9.617 -14.793 1.00 0.00 C ATOM 94 O ASP A 21 35.481 -9.412 -13.576 1.00 0.00 O ATOM 95 CB ASP A 21 33.503 -8.752 -16.172 1.00 0.00 C ATOM 96 CG ASP A 21 33.962 -8.653 -17.623 1.00 0.00 C ATOM 97 OD1 ASP A 21 33.412 -9.414 -18.449 1.00 0.00 O ATOM 98 OD2 ASP A 21 34.902 -7.865 -17.870 1.00 0.00 O ATOM 0 H ASP A 21 33.045 -9.993 -13.718 1.00 0.00 H new ATOM 0 HA ASP A 21 34.397 -10.710 -16.250 1.00 0.00 H new ATOM 0 HB2 ASP A 21 32.417 -8.832 -16.132 1.00 0.00 H new ATOM 0 HB3 ASP A 21 33.776 -7.844 -15.635 1.00 0.00 H new ATOM 103 N ASN A 22 36.515 -9.521 -15.605 1.00 0.00 N ATOM 104 CA ASN A 22 37.884 -9.235 -15.195 1.00 0.00 C ATOM 105 C ASN A 22 38.466 -10.303 -14.244 1.00 0.00 C ATOM 106 O ASN A 22 39.160 -9.965 -13.291 1.00 0.00 O ATOM 107 CB ASN A 22 37.925 -7.793 -14.651 1.00 0.00 C ATOM 108 CG ASN A 22 39.324 -7.215 -14.572 1.00 0.00 C ATOM 109 OD1 ASN A 22 40.211 -7.534 -15.342 1.00 0.00 O ATOM 110 ND2 ASN A 22 39.578 -6.337 -13.629 1.00 0.00 N ATOM 0 H ASN A 22 36.431 -9.648 -16.614 1.00 0.00 H new ATOM 0 HA ASN A 22 38.553 -9.294 -16.053 1.00 0.00 H new ATOM 0 HB2 ASN A 22 37.313 -7.155 -15.289 1.00 0.00 H new ATOM 0 HB3 ASN A 22 37.477 -7.775 -13.658 1.00 0.00 H new ATOM 0 HD21 ASN A 22 40.510 -5.931 -13.548 1.00 0.00 H new ATOM 0 HD22 ASN A 22 38.843 -6.061 -12.977 1.00 0.00 H new ATOM 117 N VAL A 23 38.180 -11.593 -14.503 1.00 0.00 N ATOM 118 CA VAL A 23 38.730 -12.769 -13.787 1.00 0.00 C ATOM 119 C VAL A 23 39.886 -13.437 -14.555 1.00 0.00 C ATOM 120 O VAL A 23 39.671 -14.439 -15.240 1.00 0.00 O ATOM 121 CB VAL A 23 37.666 -13.825 -13.396 1.00 0.00 C ATOM 122 CG1 VAL A 23 36.859 -13.368 -12.185 1.00 0.00 C ATOM 123 CG2 VAL A 23 36.687 -14.195 -14.511 1.00 0.00 C ATOM 0 H VAL A 23 37.534 -11.859 -15.246 1.00 0.00 H new ATOM 0 HA VAL A 23 39.122 -12.358 -12.857 1.00 0.00 H new ATOM 0 HB VAL A 23 38.249 -14.718 -13.169 1.00 0.00 H new ATOM 0 HG11 VAL A 23 36.120 -14.128 -11.933 1.00 0.00 H new ATOM 0 HG12 VAL A 23 37.528 -13.217 -11.338 1.00 0.00 H new ATOM 0 HG13 VAL A 23 36.352 -12.432 -12.418 1.00 0.00 H new ATOM 0 HG21 VAL A 23 35.981 -14.940 -14.143 1.00 0.00 H new ATOM 0 HG22 VAL A 23 36.143 -13.305 -14.828 1.00 0.00 H new ATOM 0 HG23 VAL A 23 37.238 -14.604 -15.358 1.00 0.00 H new ATOM 133 N PRO A 24 41.132 -12.934 -14.432 1.00 0.00 N ATOM 134 CA PRO A 24 42.294 -13.624 -14.974 1.00 0.00 C ATOM 135 C PRO A 24 42.502 -14.956 -14.242 1.00 0.00 C ATOM 136 O PRO A 24 42.347 -15.037 -13.018 1.00 0.00 O ATOM 137 CB PRO A 24 43.479 -12.677 -14.766 1.00 0.00 C ATOM 138 CG PRO A 24 43.068 -11.867 -13.536 1.00 0.00 C ATOM 139 CD PRO A 24 41.554 -11.754 -13.692 1.00 0.00 C ATOM 0 HA PRO A 24 42.174 -13.864 -16.030 1.00 0.00 H new ATOM 0 HB2 PRO A 24 44.406 -13.224 -14.596 1.00 0.00 H new ATOM 0 HB3 PRO A 24 43.640 -12.037 -15.634 1.00 0.00 H new ATOM 0 HG2 PRO A 24 43.342 -12.372 -12.610 1.00 0.00 H new ATOM 0 HG3 PRO A 24 43.547 -10.888 -13.519 1.00 0.00 H new ATOM 0 HD2 PRO A 24 41.065 -11.709 -12.719 1.00 0.00 H new ATOM 0 HD3 PRO A 24 41.285 -10.843 -14.226 1.00 0.00 H new ATOM 147 N GLN A 25 42.869 -16.002 -14.987 1.00 0.00 N ATOM 148 CA GLN A 25 43.298 -17.268 -14.386 1.00 0.00 C ATOM 149 C GLN A 25 44.627 -17.126 -13.620 1.00 0.00 C ATOM 150 O GLN A 25 45.246 -16.065 -13.604 1.00 0.00 O ATOM 151 CB GLN A 25 43.347 -18.366 -15.460 1.00 0.00 C ATOM 152 CG GLN A 25 44.570 -18.296 -16.393 1.00 0.00 C ATOM 153 CD GLN A 25 45.782 -19.071 -15.891 1.00 0.00 C ATOM 154 OE1 GLN A 25 46.798 -18.522 -15.506 1.00 0.00 O ATOM 155 NE2 GLN A 25 45.687 -20.380 -15.865 1.00 0.00 N ATOM 0 H GLN A 25 42.878 -15.997 -16.007 1.00 0.00 H new ATOM 0 HA GLN A 25 42.562 -17.563 -13.638 1.00 0.00 H new ATOM 0 HB2 GLN A 25 43.337 -19.338 -14.967 1.00 0.00 H new ATOM 0 HB3 GLN A 25 42.442 -18.306 -16.064 1.00 0.00 H new ATOM 0 HG2 GLN A 25 44.288 -18.680 -17.373 1.00 0.00 H new ATOM 0 HG3 GLN A 25 44.851 -17.252 -16.528 1.00 0.00 H new ATOM 0 HE21 GLN A 25 44.834 -20.836 -16.189 1.00 0.00 H new ATOM 0 HE22 GLN A 25 46.466 -20.941 -15.521 1.00 0.00 H new ATOM 164 N VAL A 26 45.062 -18.225 -12.994 1.00 0.00 N ATOM 165 CA VAL A 26 46.295 -18.316 -12.205 1.00 0.00 C ATOM 166 C VAL A 26 47.056 -19.601 -12.543 1.00 0.00 C ATOM 167 O VAL A 26 46.500 -20.545 -13.106 1.00 0.00 O ATOM 168 CB VAL A 26 45.974 -18.257 -10.698 1.00 0.00 C ATOM 169 CG1 VAL A 26 45.361 -16.912 -10.302 1.00 0.00 C ATOM 170 CG2 VAL A 26 45.047 -19.408 -10.281 1.00 0.00 C ATOM 0 H VAL A 26 44.548 -19.105 -13.024 1.00 0.00 H new ATOM 0 HA VAL A 26 46.930 -17.466 -12.456 1.00 0.00 H new ATOM 0 HB VAL A 26 46.920 -18.365 -10.167 1.00 0.00 H new ATOM 0 HG11 VAL A 26 45.149 -16.910 -9.233 1.00 0.00 H new ATOM 0 HG12 VAL A 26 46.062 -16.110 -10.535 1.00 0.00 H new ATOM 0 HG13 VAL A 26 44.435 -16.757 -10.856 1.00 0.00 H new ATOM 0 HG21 VAL A 26 44.839 -19.339 -9.213 1.00 0.00 H new ATOM 0 HG22 VAL A 26 44.112 -19.342 -10.838 1.00 0.00 H new ATOM 0 HG23 VAL A 26 45.531 -20.361 -10.496 1.00 0.00 H new ATOM 180 N GLY A 27 48.339 -19.631 -12.173 1.00 0.00 N ATOM 181 CA GLY A 27 49.232 -20.758 -12.413 1.00 0.00 C ATOM 182 C GLY A 27 48.879 -22.046 -11.639 1.00 0.00 C ATOM 183 O GLY A 27 47.840 -22.142 -10.973 1.00 0.00 O ATOM 0 H GLY A 27 48.791 -18.855 -11.689 1.00 0.00 H new ATOM 0 HA2 GLY A 27 49.232 -20.982 -13.480 1.00 0.00 H new ATOM 0 HA3 GLY A 27 50.247 -20.460 -12.150 1.00 0.00 H new ATOM 187 N PRO A 28 49.744 -23.070 -11.737 1.00 0.00 N ATOM 188 CA PRO A 28 49.547 -24.345 -11.058 1.00 0.00 C ATOM 189 C PRO A 28 49.571 -24.184 -9.534 1.00 0.00 C ATOM 190 O PRO A 28 49.966 -23.144 -9.012 1.00 0.00 O ATOM 191 CB PRO A 28 50.659 -25.266 -11.557 1.00 0.00 C ATOM 192 CG PRO A 28 51.775 -24.288 -11.924 1.00 0.00 C ATOM 193 CD PRO A 28 51.014 -23.068 -12.445 1.00 0.00 C ATOM 0 HA PRO A 28 48.567 -24.765 -11.283 1.00 0.00 H new ATOM 0 HB2 PRO A 28 50.976 -25.970 -10.788 1.00 0.00 H new ATOM 0 HB3 PRO A 28 50.340 -25.855 -12.416 1.00 0.00 H new ATOM 0 HG2 PRO A 28 52.392 -24.039 -11.061 1.00 0.00 H new ATOM 0 HG3 PRO A 28 52.440 -24.702 -12.682 1.00 0.00 H new ATOM 0 HD2 PRO A 28 51.568 -22.149 -12.254 1.00 0.00 H new ATOM 0 HD3 PRO A 28 50.863 -23.131 -13.523 1.00 0.00 H new ATOM 201 N ASP A 29 49.121 -25.222 -8.820 1.00 0.00 N ATOM 202 CA ASP A 29 49.016 -25.224 -7.352 1.00 0.00 C ATOM 203 C ASP A 29 48.032 -24.152 -6.821 1.00 0.00 C ATOM 204 O ASP A 29 47.985 -23.865 -5.627 1.00 0.00 O ATOM 205 CB ASP A 29 50.426 -25.108 -6.735 1.00 0.00 C ATOM 206 CG ASP A 29 50.628 -25.920 -5.453 1.00 0.00 C ATOM 207 OD1 ASP A 29 49.626 -26.277 -4.797 1.00 0.00 O ATOM 208 OD2 ASP A 29 51.809 -26.214 -5.160 1.00 0.00 O ATOM 0 H ASP A 29 48.815 -26.096 -9.248 1.00 0.00 H new ATOM 0 HA ASP A 29 48.584 -26.174 -7.037 1.00 0.00 H new ATOM 0 HB2 ASP A 29 51.160 -25.431 -7.474 1.00 0.00 H new ATOM 0 HB3 ASP A 29 50.630 -24.059 -6.521 1.00 0.00 H new ATOM 213 N ARG A 30 47.238 -23.544 -7.715 1.00 0.00 N ATOM 214 CA ARG A 30 46.215 -22.538 -7.400 1.00 0.00 C ATOM 215 C ARG A 30 45.043 -22.512 -8.389 1.00 0.00 C ATOM 216 O ARG A 30 43.933 -22.169 -7.988 1.00 0.00 O ATOM 217 CB ARG A 30 46.905 -21.165 -7.291 1.00 0.00 C ATOM 218 CG ARG A 30 45.956 -20.041 -6.838 1.00 0.00 C ATOM 219 CD ARG A 30 46.474 -19.211 -5.665 1.00 0.00 C ATOM 220 NE ARG A 30 45.375 -18.376 -5.151 1.00 0.00 N ATOM 221 CZ ARG A 30 45.369 -17.640 -4.049 1.00 0.00 C ATOM 222 NH1 ARG A 30 46.442 -17.480 -3.306 1.00 0.00 N ATOM 223 NH2 ARG A 30 44.252 -17.054 -3.680 1.00 0.00 N ATOM 0 H ARG A 30 47.293 -23.747 -8.713 1.00 0.00 H new ATOM 0 HA ARG A 30 45.756 -22.808 -6.449 1.00 0.00 H new ATOM 0 HB2 ARG A 30 47.734 -21.237 -6.587 1.00 0.00 H new ATOM 0 HB3 ARG A 30 47.332 -20.903 -8.259 1.00 0.00 H new ATOM 0 HG2 ARG A 30 45.770 -19.377 -7.682 1.00 0.00 H new ATOM 0 HG3 ARG A 30 44.998 -20.481 -6.561 1.00 0.00 H new ATOM 0 HD2 ARG A 30 46.851 -19.864 -4.878 1.00 0.00 H new ATOM 0 HD3 ARG A 30 47.306 -18.584 -5.985 1.00 0.00 H new ATOM 0 HE ARG A 30 44.520 -18.363 -5.707 1.00 0.00 H new ATOM 0 HH11 ARG A 30 47.318 -17.930 -3.571 1.00 0.00 H new ATOM 0 HH12 ARG A 30 46.398 -16.906 -2.464 1.00 0.00 H new ATOM 0 HH21 ARG A 30 43.407 -17.169 -4.239 1.00 0.00 H new ATOM 0 HH22 ARG A 30 44.230 -16.484 -2.834 1.00 0.00 H new ATOM 237 N LEU A 31 45.231 -22.924 -9.648 1.00 0.00 N ATOM 238 CA LEU A 31 44.159 -22.941 -10.659 1.00 0.00 C ATOM 239 C LEU A 31 42.868 -23.659 -10.217 1.00 0.00 C ATOM 240 O LEU A 31 41.772 -23.259 -10.597 1.00 0.00 O ATOM 241 CB LEU A 31 44.700 -23.516 -11.981 1.00 0.00 C ATOM 242 CG LEU A 31 44.819 -25.058 -12.060 1.00 0.00 C ATOM 243 CD1 LEU A 31 45.324 -25.431 -13.448 1.00 0.00 C ATOM 244 CD2 LEU A 31 45.799 -25.628 -11.026 1.00 0.00 C ATOM 0 H LEU A 31 46.130 -23.256 -9.998 1.00 0.00 H new ATOM 0 HA LEU A 31 43.856 -21.904 -10.802 1.00 0.00 H new ATOM 0 HB2 LEU A 31 44.052 -23.181 -12.791 1.00 0.00 H new ATOM 0 HB3 LEU A 31 45.685 -23.087 -12.163 1.00 0.00 H new ATOM 0 HG LEU A 31 43.834 -25.476 -11.855 1.00 0.00 H new ATOM 0 HD11 LEU A 31 45.415 -26.515 -13.523 1.00 0.00 H new ATOM 0 HD12 LEU A 31 44.621 -25.073 -14.200 1.00 0.00 H new ATOM 0 HD13 LEU A 31 46.299 -24.973 -13.616 1.00 0.00 H new ATOM 0 HD21 LEU A 31 45.843 -26.712 -11.126 1.00 0.00 H new ATOM 0 HD22 LEU A 31 46.790 -25.207 -11.194 1.00 0.00 H new ATOM 0 HD23 LEU A 31 45.460 -25.370 -10.023 1.00 0.00 H new ATOM 256 N GLU A 32 42.997 -24.702 -9.390 1.00 0.00 N ATOM 257 CA GLU A 32 41.892 -25.500 -8.848 1.00 0.00 C ATOM 258 C GLU A 32 41.055 -24.642 -7.894 1.00 0.00 C ATOM 259 O GLU A 32 39.835 -24.537 -8.041 1.00 0.00 O ATOM 260 CB GLU A 32 42.449 -26.724 -8.097 1.00 0.00 C ATOM 261 CG GLU A 32 43.244 -27.696 -8.984 1.00 0.00 C ATOM 262 CD GLU A 32 42.432 -28.949 -9.310 1.00 0.00 C ATOM 263 OE1 GLU A 32 42.458 -29.880 -8.477 1.00 0.00 O ATOM 264 OE2 GLU A 32 41.786 -28.948 -10.381 1.00 0.00 O ATOM 0 H GLU A 32 43.909 -25.026 -9.068 1.00 0.00 H new ATOM 0 HA GLU A 32 41.262 -25.843 -9.669 1.00 0.00 H new ATOM 0 HB2 GLU A 32 43.092 -26.379 -7.288 1.00 0.00 H new ATOM 0 HB3 GLU A 32 41.620 -27.263 -7.638 1.00 0.00 H new ATOM 0 HG2 GLU A 32 43.529 -27.195 -9.909 1.00 0.00 H new ATOM 0 HG3 GLU A 32 44.166 -27.980 -8.478 1.00 0.00 H new ATOM 271 N LYS A 33 41.750 -23.963 -6.967 1.00 0.00 N ATOM 272 CA LYS A 33 41.218 -22.972 -6.029 1.00 0.00 C ATOM 273 C LYS A 33 40.368 -21.928 -6.749 1.00 0.00 C ATOM 274 O LYS A 33 39.371 -21.538 -6.167 1.00 0.00 O ATOM 275 CB LYS A 33 42.359 -22.308 -5.227 1.00 0.00 C ATOM 276 CG LYS A 33 42.306 -22.546 -3.713 1.00 0.00 C ATOM 277 CD LYS A 33 42.562 -24.010 -3.325 1.00 0.00 C ATOM 278 CE LYS A 33 43.079 -24.059 -1.884 1.00 0.00 C ATOM 279 NZ LYS A 33 42.959 -25.404 -1.297 1.00 0.00 N ATOM 0 H LYS A 33 42.754 -24.102 -6.849 1.00 0.00 H new ATOM 0 HA LYS A 33 40.570 -23.492 -5.324 1.00 0.00 H new ATOM 0 HB2 LYS A 33 43.312 -22.677 -5.605 1.00 0.00 H new ATOM 0 HB3 LYS A 33 42.337 -21.234 -5.412 1.00 0.00 H new ATOM 0 HG2 LYS A 33 43.046 -21.912 -3.225 1.00 0.00 H new ATOM 0 HG3 LYS A 33 41.329 -22.242 -3.337 1.00 0.00 H new ATOM 0 HD2 LYS A 33 41.644 -24.590 -3.416 1.00 0.00 H new ATOM 0 HD3 LYS A 33 43.290 -24.457 -4.002 1.00 0.00 H new ATOM 0 HE2 LYS A 33 44.123 -23.747 -1.863 1.00 0.00 H new ATOM 0 HE3 LYS A 33 42.522 -23.347 -1.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 43.663 -25.516 -0.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 42.004 -25.527 -0.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 43.125 -26.120 -2.033 1.00 0.00 H new ATOM 293 N LEU A 34 40.686 -21.538 -7.992 1.00 0.00 N ATOM 294 CA LEU A 34 39.891 -20.585 -8.775 1.00 0.00 C ATOM 295 C LEU A 34 38.402 -20.991 -8.788 1.00 0.00 C ATOM 296 O LEU A 34 37.571 -20.283 -8.228 1.00 0.00 O ATOM 297 CB LEU A 34 40.494 -20.426 -10.191 1.00 0.00 C ATOM 298 CG LEU A 34 40.325 -19.041 -10.867 1.00 0.00 C ATOM 299 CD1 LEU A 34 38.951 -18.392 -10.663 1.00 0.00 C ATOM 300 CD2 LEU A 34 41.393 -18.045 -10.406 1.00 0.00 C ATOM 0 H LEU A 34 41.511 -21.880 -8.485 1.00 0.00 H new ATOM 0 HA LEU A 34 39.931 -19.604 -8.302 1.00 0.00 H new ATOM 0 HB2 LEU A 34 41.559 -20.650 -10.134 1.00 0.00 H new ATOM 0 HB3 LEU A 34 40.044 -21.178 -10.839 1.00 0.00 H new ATOM 0 HG LEU A 34 40.435 -19.261 -11.929 1.00 0.00 H new ATOM 0 HD11 LEU A 34 38.925 -17.428 -11.171 1.00 0.00 H new ATOM 0 HD12 LEU A 34 38.178 -19.040 -11.075 1.00 0.00 H new ATOM 0 HD13 LEU A 34 38.772 -18.246 -9.598 1.00 0.00 H new ATOM 0 HD21 LEU A 34 41.237 -17.088 -10.904 1.00 0.00 H new ATOM 0 HD22 LEU A 34 41.321 -17.908 -9.327 1.00 0.00 H new ATOM 0 HD23 LEU A 34 42.382 -18.429 -10.658 1.00 0.00 H new ATOM 312 N LYS A 35 38.058 -22.153 -9.362 1.00 0.00 N ATOM 313 CA LYS A 35 36.681 -22.677 -9.355 1.00 0.00 C ATOM 314 C LYS A 35 36.263 -23.224 -7.984 1.00 0.00 C ATOM 315 O LYS A 35 35.081 -23.159 -7.643 1.00 0.00 O ATOM 316 CB LYS A 35 36.502 -23.677 -10.514 1.00 0.00 C ATOM 317 CG LYS A 35 35.117 -24.354 -10.561 1.00 0.00 C ATOM 318 CD LYS A 35 35.043 -25.645 -9.713 1.00 0.00 C ATOM 319 CE LYS A 35 34.573 -26.886 -10.489 1.00 0.00 C ATOM 320 NZ LYS A 35 35.458 -27.197 -11.631 1.00 0.00 N ATOM 0 H LYS A 35 38.724 -22.757 -9.844 1.00 0.00 H new ATOM 0 HA LYS A 35 35.989 -21.853 -9.529 1.00 0.00 H new ATOM 0 HB2 LYS A 35 36.671 -23.156 -11.457 1.00 0.00 H new ATOM 0 HB3 LYS A 35 37.268 -24.448 -10.434 1.00 0.00 H new ATOM 0 HG2 LYS A 35 34.363 -23.651 -10.207 1.00 0.00 H new ATOM 0 HG3 LYS A 35 34.870 -24.592 -11.596 1.00 0.00 H new ATOM 0 HD2 LYS A 35 36.028 -25.846 -9.292 1.00 0.00 H new ATOM 0 HD3 LYS A 35 34.366 -25.477 -8.875 1.00 0.00 H new ATOM 0 HE2 LYS A 35 34.537 -27.742 -9.815 1.00 0.00 H new ATOM 0 HE3 LYS A 35 33.558 -26.723 -10.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 35.300 -28.179 -11.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 35.247 -26.552 -12.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 36.450 -27.079 -11.343 1.00 0.00 H new ATOM 334 N ASN A 36 37.198 -23.726 -7.166 1.00 0.00 N ATOM 335 CA ASN A 36 36.872 -24.205 -5.823 1.00 0.00 C ATOM 336 C ASN A 36 36.334 -23.085 -4.924 1.00 0.00 C ATOM 337 O ASN A 36 35.225 -23.233 -4.420 1.00 0.00 O ATOM 338 CB ASN A 36 38.065 -24.921 -5.154 1.00 0.00 C ATOM 339 CG ASN A 36 37.833 -26.407 -4.916 1.00 0.00 C ATOM 340 OD1 ASN A 36 38.667 -27.238 -5.223 1.00 0.00 O ATOM 341 ND2 ASN A 36 36.700 -26.789 -4.363 1.00 0.00 N ATOM 0 H ASN A 36 38.184 -23.809 -7.414 1.00 0.00 H new ATOM 0 HA ASN A 36 36.076 -24.939 -5.948 1.00 0.00 H new ATOM 0 HB2 ASN A 36 38.949 -24.796 -5.779 1.00 0.00 H new ATOM 0 HB3 ASN A 36 38.278 -24.438 -4.200 1.00 0.00 H new ATOM 0 HD21 ASN A 36 36.524 -27.779 -4.193 1.00 0.00 H new ATOM 0 HD22 ASN A 36 35.999 -26.095 -4.105 1.00 0.00 H new ATOM 348 N VAL A 37 37.085 -21.986 -4.734 1.00 0.00 N ATOM 349 CA VAL A 37 36.694 -20.859 -3.864 1.00 0.00 C ATOM 350 C VAL A 37 35.333 -20.301 -4.271 1.00 0.00 C ATOM 351 O VAL A 37 34.533 -19.979 -3.397 1.00 0.00 O ATOM 352 CB VAL A 37 37.736 -19.720 -3.778 1.00 0.00 C ATOM 353 CG1 VAL A 37 39.111 -20.229 -3.323 1.00 0.00 C ATOM 354 CG2 VAL A 37 37.872 -18.855 -5.040 1.00 0.00 C ATOM 0 H VAL A 37 37.990 -21.852 -5.184 1.00 0.00 H new ATOM 0 HA VAL A 37 36.635 -21.284 -2.862 1.00 0.00 H new ATOM 0 HB VAL A 37 37.329 -19.057 -3.015 1.00 0.00 H new ATOM 0 HG11 VAL A 37 39.811 -19.395 -3.277 1.00 0.00 H new ATOM 0 HG12 VAL A 37 39.023 -20.683 -2.336 1.00 0.00 H new ATOM 0 HG13 VAL A 37 39.477 -20.971 -4.032 1.00 0.00 H new ATOM 0 HG21 VAL A 37 38.628 -18.087 -4.875 1.00 0.00 H new ATOM 0 HG22 VAL A 37 38.170 -19.482 -5.881 1.00 0.00 H new ATOM 0 HG23 VAL A 37 36.916 -18.381 -5.261 1.00 0.00 H new ATOM 364 N ILE A 38 35.026 -20.301 -5.579 1.00 0.00 N ATOM 365 CA ILE A 38 33.705 -19.968 -6.123 1.00 0.00 C ATOM 366 C ILE A 38 32.586 -20.741 -5.399 1.00 0.00 C ATOM 367 O ILE A 38 31.607 -20.132 -4.974 1.00 0.00 O ATOM 368 CB ILE A 38 33.670 -20.099 -7.669 1.00 0.00 C ATOM 369 CG1 ILE A 38 33.787 -18.706 -8.325 1.00 0.00 C ATOM 370 CG2 ILE A 38 32.400 -20.783 -8.215 1.00 0.00 C ATOM 371 CD1 ILE A 38 35.201 -18.126 -8.306 1.00 0.00 C ATOM 0 H ILE A 38 35.707 -20.538 -6.301 1.00 0.00 H new ATOM 0 HA ILE A 38 33.509 -18.915 -5.922 1.00 0.00 H new ATOM 0 HB ILE A 38 34.518 -20.734 -7.923 1.00 0.00 H new ATOM 0 HG12 ILE A 38 33.447 -18.773 -9.358 1.00 0.00 H new ATOM 0 HG13 ILE A 38 33.116 -18.017 -7.812 1.00 0.00 H new ATOM 0 HG21 ILE A 38 32.454 -20.835 -9.302 1.00 0.00 H new ATOM 0 HG22 ILE A 38 32.325 -21.791 -7.806 1.00 0.00 H new ATOM 0 HG23 ILE A 38 31.522 -20.207 -7.923 1.00 0.00 H new ATOM 0 HD11 ILE A 38 35.199 -17.147 -8.785 1.00 0.00 H new ATOM 0 HD12 ILE A 38 35.539 -18.025 -7.275 1.00 0.00 H new ATOM 0 HD13 ILE A 38 35.875 -18.792 -8.845 1.00 0.00 H new ATOM 383 N HIS A 39 32.729 -22.058 -5.191 1.00 0.00 N ATOM 384 CA HIS A 39 31.716 -22.877 -4.498 1.00 0.00 C ATOM 385 C HIS A 39 31.588 -22.557 -2.998 1.00 0.00 C ATOM 386 O HIS A 39 30.578 -22.923 -2.388 1.00 0.00 O ATOM 387 CB HIS A 39 31.960 -24.380 -4.727 1.00 0.00 C ATOM 388 CG HIS A 39 31.481 -24.873 -6.076 1.00 0.00 C ATOM 389 ND1 HIS A 39 30.445 -25.761 -6.281 1.00 0.00 N ATOM 390 CD2 HIS A 39 31.979 -24.516 -7.297 1.00 0.00 C ATOM 391 CE1 HIS A 39 30.306 -25.928 -7.612 1.00 0.00 C ATOM 392 NE2 HIS A 39 31.225 -25.177 -8.247 1.00 0.00 N ATOM 0 H HIS A 39 33.546 -22.587 -5.496 1.00 0.00 H new ATOM 0 HA HIS A 39 30.759 -22.609 -4.946 1.00 0.00 H new ATOM 0 HB2 HIS A 39 33.026 -24.585 -4.632 1.00 0.00 H new ATOM 0 HB3 HIS A 39 31.456 -24.945 -3.943 1.00 0.00 H new ATOM 0 HD2 HIS A 39 32.805 -23.845 -7.484 1.00 0.00 H new ATOM 0 HE1 HIS A 39 29.575 -26.562 -8.091 1.00 0.00 H new ATOM 0 HE2 HIS A 39 31.344 -25.108 -9.258 1.00 0.00 H new ATOM 401 N LYS A 40 32.580 -21.870 -2.407 1.00 0.00 N ATOM 402 CA LYS A 40 32.583 -21.459 -0.996 1.00 0.00 C ATOM 403 C LYS A 40 32.040 -20.042 -0.833 1.00 0.00 C ATOM 404 O LYS A 40 31.101 -19.853 -0.064 1.00 0.00 O ATOM 405 CB LYS A 40 33.978 -21.583 -0.358 1.00 0.00 C ATOM 406 CG LYS A 40 34.431 -23.029 -0.107 1.00 0.00 C ATOM 407 CD LYS A 40 34.858 -23.760 -1.391 1.00 0.00 C ATOM 408 CE LYS A 40 35.730 -25.003 -1.204 1.00 0.00 C ATOM 409 NZ LYS A 40 35.181 -25.951 -0.225 1.00 0.00 N ATOM 0 H LYS A 40 33.419 -21.580 -2.909 1.00 0.00 H new ATOM 0 HA LYS A 40 31.921 -22.144 -0.467 1.00 0.00 H new ATOM 0 HB2 LYS A 40 34.706 -21.094 -1.005 1.00 0.00 H new ATOM 0 HB3 LYS A 40 33.981 -21.044 0.589 1.00 0.00 H new ATOM 0 HG2 LYS A 40 35.264 -23.025 0.596 1.00 0.00 H new ATOM 0 HG3 LYS A 40 33.618 -23.581 0.365 1.00 0.00 H new ATOM 0 HD2 LYS A 40 33.959 -24.051 -1.934 1.00 0.00 H new ATOM 0 HD3 LYS A 40 35.398 -23.055 -2.023 1.00 0.00 H new ATOM 0 HE2 LYS A 40 35.844 -25.507 -2.164 1.00 0.00 H new ATOM 0 HE3 LYS A 40 36.726 -24.696 -0.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 35.212 -26.913 -0.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 35.746 -25.915 0.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 34.196 -25.696 -0.010 1.00 0.00 H new ATOM 423 N ILE A 41 32.555 -19.063 -1.586 1.00 0.00 N ATOM 424 CA ILE A 41 32.045 -17.683 -1.533 1.00 0.00 C ATOM 425 C ILE A 41 30.545 -17.622 -1.823 1.00 0.00 C ATOM 426 O ILE A 41 29.820 -16.855 -1.192 1.00 0.00 O ATOM 427 CB ILE A 41 32.827 -16.763 -2.490 1.00 0.00 C ATOM 428 CG1 ILE A 41 32.540 -15.273 -2.264 1.00 0.00 C ATOM 429 CG2 ILE A 41 32.606 -17.099 -3.965 1.00 0.00 C ATOM 430 CD1 ILE A 41 31.394 -14.615 -3.038 1.00 0.00 C ATOM 0 H ILE A 41 33.325 -19.199 -2.241 1.00 0.00 H new ATOM 0 HA ILE A 41 32.198 -17.322 -0.516 1.00 0.00 H new ATOM 0 HB ILE A 41 33.872 -16.955 -2.246 1.00 0.00 H new ATOM 0 HG12 ILE A 41 32.343 -15.133 -1.201 1.00 0.00 H new ATOM 0 HG13 ILE A 41 33.452 -14.723 -2.495 1.00 0.00 H new ATOM 0 HG21 ILE A 41 33.185 -16.414 -4.585 1.00 0.00 H new ATOM 0 HG22 ILE A 41 32.928 -18.123 -4.157 1.00 0.00 H new ATOM 0 HG23 ILE A 41 31.548 -17.000 -4.206 1.00 0.00 H new ATOM 0 HD11 ILE A 41 31.326 -13.563 -2.763 1.00 0.00 H new ATOM 0 HD12 ILE A 41 31.583 -14.699 -4.108 1.00 0.00 H new ATOM 0 HD13 ILE A 41 30.456 -15.115 -2.795 1.00 0.00 H new ATOM 442 N PHE A 42 30.084 -18.466 -2.751 1.00 0.00 N ATOM 443 CA PHE A 42 28.692 -18.517 -3.146 1.00 0.00 C ATOM 444 C PHE A 42 27.866 -19.521 -2.331 1.00 0.00 C ATOM 445 O PHE A 42 26.653 -19.599 -2.526 1.00 0.00 O ATOM 446 CB PHE A 42 28.609 -18.732 -4.659 1.00 0.00 C ATOM 447 CG PHE A 42 29.026 -17.527 -5.492 1.00 0.00 C ATOM 448 CD1 PHE A 42 28.380 -16.290 -5.319 1.00 0.00 C ATOM 449 CD2 PHE A 42 30.030 -17.639 -6.468 1.00 0.00 C ATOM 450 CE1 PHE A 42 28.735 -15.175 -6.087 1.00 0.00 C ATOM 451 CE2 PHE A 42 30.395 -16.521 -7.238 1.00 0.00 C ATOM 452 CZ PHE A 42 29.755 -15.286 -7.039 1.00 0.00 C ATOM 0 H PHE A 42 30.677 -19.132 -3.246 1.00 0.00 H new ATOM 0 HA PHE A 42 28.227 -17.559 -2.913 1.00 0.00 H new ATOM 0 HB2 PHE A 42 29.240 -19.579 -4.928 1.00 0.00 H new ATOM 0 HB3 PHE A 42 27.585 -19.001 -4.919 1.00 0.00 H new ATOM 0 HD1 PHE A 42 27.597 -16.199 -4.581 1.00 0.00 H new ATOM 0 HD2 PHE A 42 30.523 -18.587 -6.627 1.00 0.00 H new ATOM 0 HE1 PHE A 42 28.224 -14.234 -5.946 1.00 0.00 H new ATOM 0 HE2 PHE A 42 31.170 -16.612 -7.985 1.00 0.00 H new ATOM 0 HZ PHE A 42 30.050 -14.424 -7.619 1.00 0.00 H new ATOM 462 N SER A 43 28.484 -20.241 -1.384 1.00 0.00 N ATOM 463 CA SER A 43 27.787 -21.205 -0.523 1.00 0.00 C ATOM 464 C SER A 43 26.932 -20.534 0.558 1.00 0.00 C ATOM 465 O SER A 43 25.924 -21.096 0.978 1.00 0.00 O ATOM 466 CB SER A 43 28.761 -22.185 0.147 1.00 0.00 C ATOM 467 OG SER A 43 28.799 -23.388 -0.597 1.00 0.00 O ATOM 0 H SER A 43 29.484 -20.171 -1.194 1.00 0.00 H new ATOM 0 HA SER A 43 27.124 -21.754 -1.191 1.00 0.00 H new ATOM 0 HB2 SER A 43 29.757 -21.746 0.201 1.00 0.00 H new ATOM 0 HB3 SER A 43 28.445 -22.387 1.171 1.00 0.00 H new ATOM 0 HG SER A 43 29.196 -23.216 -1.477 1.00 0.00 H new ATOM 473 N LYS A 44 27.269 -19.310 1.005 1.00 0.00 N ATOM 474 CA LYS A 44 26.434 -18.597 1.998 1.00 0.00 C ATOM 475 C LYS A 44 25.054 -18.198 1.453 1.00 0.00 C ATOM 476 O LYS A 44 24.128 -17.997 2.235 1.00 0.00 O ATOM 477 CB LYS A 44 27.142 -17.371 2.602 1.00 0.00 C ATOM 478 CG LYS A 44 27.677 -16.401 1.542 1.00 0.00 C ATOM 479 CD LYS A 44 28.006 -15.035 2.150 1.00 0.00 C ATOM 480 CE LYS A 44 29.077 -14.376 1.284 1.00 0.00 C ATOM 481 NZ LYS A 44 29.077 -12.908 1.403 1.00 0.00 N ATOM 0 H LYS A 44 28.098 -18.799 0.703 1.00 0.00 H new ATOM 0 HA LYS A 44 26.275 -19.322 2.797 1.00 0.00 H new ATOM 0 HB2 LYS A 44 26.446 -16.841 3.252 1.00 0.00 H new ATOM 0 HB3 LYS A 44 27.969 -17.708 3.227 1.00 0.00 H new ATOM 0 HG2 LYS A 44 28.571 -16.821 1.081 1.00 0.00 H new ATOM 0 HG3 LYS A 44 26.937 -16.280 0.751 1.00 0.00 H new ATOM 0 HD2 LYS A 44 27.113 -14.412 2.191 1.00 0.00 H new ATOM 0 HD3 LYS A 44 28.362 -15.150 3.174 1.00 0.00 H new ATOM 0 HE2 LYS A 44 30.057 -14.760 1.569 1.00 0.00 H new ATOM 0 HE3 LYS A 44 28.917 -14.652 0.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 29.673 -12.499 0.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 28.105 -12.552 1.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 29.453 -12.635 2.333 1.00 0.00 H new ATOM 495 N PHE A 45 24.911 -18.100 0.126 1.00 0.00 N ATOM 496 CA PHE A 45 23.657 -17.714 -0.531 1.00 0.00 C ATOM 497 C PHE A 45 22.812 -18.920 -0.967 1.00 0.00 C ATOM 498 O PHE A 45 21.653 -18.747 -1.338 1.00 0.00 O ATOM 499 CB PHE A 45 23.947 -16.835 -1.757 1.00 0.00 C ATOM 500 CG PHE A 45 25.067 -15.824 -1.585 1.00 0.00 C ATOM 501 CD1 PHE A 45 24.960 -14.766 -0.666 1.00 0.00 C ATOM 502 CD2 PHE A 45 26.244 -15.972 -2.332 1.00 0.00 C ATOM 503 CE1 PHE A 45 26.009 -13.838 -0.528 1.00 0.00 C ATOM 504 CE2 PHE A 45 27.302 -15.054 -2.186 1.00 0.00 C ATOM 505 CZ PHE A 45 27.172 -13.971 -1.305 1.00 0.00 C ATOM 0 H PHE A 45 25.670 -18.288 -0.528 1.00 0.00 H new ATOM 0 HA PHE A 45 23.081 -17.158 0.209 1.00 0.00 H new ATOM 0 HB2 PHE A 45 24.192 -17.484 -2.598 1.00 0.00 H new ATOM 0 HB3 PHE A 45 23.035 -16.300 -2.023 1.00 0.00 H new ATOM 0 HD1 PHE A 45 24.069 -14.665 -0.063 1.00 0.00 H new ATOM 0 HD2 PHE A 45 26.340 -16.796 -3.024 1.00 0.00 H new ATOM 0 HE1 PHE A 45 25.920 -13.023 0.175 1.00 0.00 H new ATOM 0 HE2 PHE A 45 28.213 -15.184 -2.752 1.00 0.00 H new ATOM 0 HZ PHE A 45 27.964 -13.241 -1.224 1.00 0.00 H new ATOM 515 N GLY A 46 23.383 -20.132 -0.960 1.00 0.00 N ATOM 516 CA GLY A 46 22.736 -21.329 -1.488 1.00 0.00 C ATOM 517 C GLY A 46 23.759 -22.342 -2.007 1.00 0.00 C ATOM 518 O GLY A 46 24.888 -22.393 -1.534 1.00 0.00 O ATOM 0 H GLY A 46 24.315 -20.305 -0.583 1.00 0.00 H new ATOM 0 HA2 GLY A 46 22.131 -21.790 -0.707 1.00 0.00 H new ATOM 0 HA3 GLY A 46 22.058 -21.051 -2.295 1.00 0.00 H new ATOM 522 N LYS A 47 23.365 -23.166 -2.986 1.00 0.00 N ATOM 523 CA LYS A 47 24.229 -24.165 -3.632 1.00 0.00 C ATOM 524 C LYS A 47 24.209 -23.973 -5.153 1.00 0.00 C ATOM 525 O LYS A 47 23.142 -23.963 -5.769 1.00 0.00 O ATOM 526 CB LYS A 47 23.771 -25.576 -3.216 1.00 0.00 C ATOM 527 CG LYS A 47 24.831 -26.661 -3.499 1.00 0.00 C ATOM 528 CD LYS A 47 25.710 -26.958 -2.272 1.00 0.00 C ATOM 529 CE LYS A 47 26.817 -27.953 -2.635 1.00 0.00 C ATOM 530 NZ LYS A 47 27.668 -28.262 -1.471 1.00 0.00 N ATOM 0 H LYS A 47 22.416 -23.157 -3.360 1.00 0.00 H new ATOM 0 HA LYS A 47 25.262 -24.037 -3.307 1.00 0.00 H new ATOM 0 HB2 LYS A 47 23.534 -25.576 -2.152 1.00 0.00 H new ATOM 0 HB3 LYS A 47 22.853 -25.825 -3.747 1.00 0.00 H new ATOM 0 HG2 LYS A 47 24.333 -27.577 -3.816 1.00 0.00 H new ATOM 0 HG3 LYS A 47 25.464 -26.340 -4.326 1.00 0.00 H new ATOM 0 HD2 LYS A 47 26.151 -26.033 -1.901 1.00 0.00 H new ATOM 0 HD3 LYS A 47 25.097 -27.364 -1.467 1.00 0.00 H new ATOM 0 HE2 LYS A 47 26.371 -28.872 -3.016 1.00 0.00 H new ATOM 0 HE3 LYS A 47 27.430 -27.541 -3.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 28.407 -28.938 -1.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 28.112 -27.388 -1.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 27.086 -28.678 -0.716 1.00 0.00 H new ATOM 544 N ILE A 48 25.388 -23.783 -5.751 1.00 0.00 N ATOM 545 CA ILE A 48 25.545 -23.661 -7.206 1.00 0.00 C ATOM 546 C ILE A 48 25.436 -25.055 -7.837 1.00 0.00 C ATOM 547 O ILE A 48 26.115 -25.980 -7.397 1.00 0.00 O ATOM 548 CB ILE A 48 26.893 -23.008 -7.582 1.00 0.00 C ATOM 549 CG1 ILE A 48 27.208 -21.770 -6.714 1.00 0.00 C ATOM 550 CG2 ILE A 48 26.850 -22.575 -9.050 1.00 0.00 C ATOM 551 CD1 ILE A 48 28.245 -22.080 -5.636 1.00 0.00 C ATOM 0 H ILE A 48 26.267 -23.709 -5.238 1.00 0.00 H new ATOM 0 HA ILE A 48 24.755 -23.014 -7.588 1.00 0.00 H new ATOM 0 HB ILE A 48 27.674 -23.749 -7.410 1.00 0.00 H new ATOM 0 HG12 ILE A 48 27.575 -20.964 -7.350 1.00 0.00 H new ATOM 0 HG13 ILE A 48 26.291 -21.413 -6.244 1.00 0.00 H new ATOM 0 HG21 ILE A 48 27.799 -22.113 -9.321 1.00 0.00 H new ATOM 0 HG22 ILE A 48 26.677 -23.446 -9.681 1.00 0.00 H new ATOM 0 HG23 ILE A 48 26.043 -21.857 -9.194 1.00 0.00 H new ATOM 0 HD11 ILE A 48 28.438 -21.183 -5.048 1.00 0.00 H new ATOM 0 HD12 ILE A 48 27.867 -22.867 -4.983 1.00 0.00 H new ATOM 0 HD13 ILE A 48 29.171 -22.412 -6.106 1.00 0.00 H new ATOM 563 N THR A 49 24.594 -25.197 -8.865 1.00 0.00 N ATOM 564 CA THR A 49 24.388 -26.469 -9.579 1.00 0.00 C ATOM 565 C THR A 49 25.150 -26.535 -10.910 1.00 0.00 C ATOM 566 O THR A 49 25.591 -27.608 -11.312 1.00 0.00 O ATOM 567 CB THR A 49 22.886 -26.736 -9.784 1.00 0.00 C ATOM 568 OG1 THR A 49 22.691 -27.842 -10.633 1.00 0.00 O ATOM 569 CG2 THR A 49 22.133 -25.535 -10.361 1.00 0.00 C ATOM 0 H THR A 49 24.030 -24.430 -9.231 1.00 0.00 H new ATOM 0 HA THR A 49 24.802 -27.258 -8.951 1.00 0.00 H new ATOM 0 HB THR A 49 22.482 -26.938 -8.792 1.00 0.00 H new ATOM 0 HG1 THR A 49 21.731 -27.998 -10.751 1.00 0.00 H new ATOM 0 HG21 THR A 49 21.080 -25.789 -10.481 1.00 0.00 H new ATOM 0 HG22 THR A 49 22.227 -24.687 -9.683 1.00 0.00 H new ATOM 0 HG23 THR A 49 22.556 -25.272 -11.331 1.00 0.00 H new ATOM 577 N ASN A 50 25.357 -25.394 -11.575 1.00 0.00 N ATOM 578 CA ASN A 50 26.054 -25.300 -12.856 1.00 0.00 C ATOM 579 C ASN A 50 27.417 -24.616 -12.687 1.00 0.00 C ATOM 580 O ASN A 50 27.635 -23.905 -11.713 1.00 0.00 O ATOM 581 CB ASN A 50 25.180 -24.455 -13.787 1.00 0.00 C ATOM 582 CG ASN A 50 24.077 -25.221 -14.492 1.00 0.00 C ATOM 583 OD1 ASN A 50 22.960 -25.453 -13.838 1.00 0.00 O flip ATOM 584 ND2 ASN A 50 24.197 -25.583 -15.648 1.00 0.00 N flip ATOM 0 H ASN A 50 25.036 -24.491 -11.227 1.00 0.00 H new ATOM 0 HA ASN A 50 26.224 -26.298 -13.261 1.00 0.00 H new ATOM 0 HB2 ASN A 50 24.730 -23.649 -13.208 1.00 0.00 H new ATOM 0 HB3 ASN A 50 25.818 -23.990 -14.539 1.00 0.00 H new ATOM 0 HD21 ASN A 50 25.065 -25.401 -16.152 1.00 0.00 H new ATOM 0 HD22 ASN A 50 23.430 -26.068 -16.113 1.00 0.00 H new ATOM 591 N ASP A 51 28.320 -24.759 -13.661 1.00 0.00 N ATOM 592 CA ASP A 51 29.609 -24.057 -13.668 1.00 0.00 C ATOM 593 C ASP A 51 30.285 -24.120 -15.046 1.00 0.00 C ATOM 594 O ASP A 51 30.499 -25.205 -15.578 1.00 0.00 O ATOM 595 CB ASP A 51 30.552 -24.604 -12.574 1.00 0.00 C ATOM 596 CG ASP A 51 30.368 -26.086 -12.201 1.00 0.00 C ATOM 597 OD1 ASP A 51 30.471 -26.949 -13.087 1.00 0.00 O ATOM 598 OD2 ASP A 51 30.186 -26.338 -10.979 1.00 0.00 O ATOM 0 H ASP A 51 28.179 -25.366 -14.469 1.00 0.00 H new ATOM 0 HA ASP A 51 29.402 -23.010 -13.447 1.00 0.00 H new ATOM 0 HB2 ASP A 51 31.581 -24.458 -12.903 1.00 0.00 H new ATOM 0 HB3 ASP A 51 30.418 -24.004 -11.674 1.00 0.00 H new ATOM 603 N PHE A 52 30.648 -22.964 -15.620 1.00 0.00 N ATOM 604 CA PHE A 52 31.283 -22.887 -16.936 1.00 0.00 C ATOM 605 C PHE A 52 32.444 -21.891 -16.943 1.00 0.00 C ATOM 606 O PHE A 52 32.291 -20.707 -16.627 1.00 0.00 O ATOM 607 CB PHE A 52 30.259 -22.516 -18.007 1.00 0.00 C ATOM 608 CG PHE A 52 29.011 -23.374 -18.019 1.00 0.00 C ATOM 609 CD1 PHE A 52 27.900 -23.005 -17.239 1.00 0.00 C ATOM 610 CD2 PHE A 52 28.958 -24.538 -18.805 1.00 0.00 C ATOM 611 CE1 PHE A 52 26.724 -23.774 -17.281 1.00 0.00 C ATOM 612 CE2 PHE A 52 27.790 -25.318 -18.826 1.00 0.00 C ATOM 613 CZ PHE A 52 26.671 -24.935 -18.066 1.00 0.00 C ATOM 0 H PHE A 52 30.507 -22.055 -15.180 1.00 0.00 H new ATOM 0 HA PHE A 52 31.688 -23.873 -17.163 1.00 0.00 H new ATOM 0 HB2 PHE A 52 29.966 -21.476 -17.864 1.00 0.00 H new ATOM 0 HB3 PHE A 52 30.737 -22.581 -18.984 1.00 0.00 H new ATOM 0 HD1 PHE A 52 27.951 -22.130 -16.607 1.00 0.00 H new ATOM 0 HD2 PHE A 52 29.815 -24.833 -19.393 1.00 0.00 H new ATOM 0 HE1 PHE A 52 25.860 -23.470 -16.708 1.00 0.00 H new ATOM 0 HE2 PHE A 52 27.751 -26.214 -19.427 1.00 0.00 H new ATOM 0 HZ PHE A 52 25.772 -25.534 -18.087 1.00 0.00 H new ATOM 623 N TYR A 53 33.616 -22.411 -17.316 1.00 0.00 N ATOM 624 CA TYR A 53 34.892 -21.706 -17.350 1.00 0.00 C ATOM 625 C TYR A 53 35.432 -21.712 -18.789 1.00 0.00 C ATOM 626 O TYR A 53 36.180 -22.623 -19.145 1.00 0.00 O ATOM 627 CB TYR A 53 35.874 -22.352 -16.363 1.00 0.00 C ATOM 628 CG TYR A 53 35.720 -21.849 -14.940 1.00 0.00 C ATOM 629 CD1 TYR A 53 34.517 -22.033 -14.236 1.00 0.00 C ATOM 630 CD2 TYR A 53 36.775 -21.148 -14.337 1.00 0.00 C ATOM 631 CE1 TYR A 53 34.343 -21.468 -12.963 1.00 0.00 C ATOM 632 CE2 TYR A 53 36.624 -20.602 -13.051 1.00 0.00 C ATOM 633 CZ TYR A 53 35.393 -20.740 -12.369 1.00 0.00 C ATOM 634 OH TYR A 53 35.201 -20.175 -11.149 1.00 0.00 O ATOM 0 H TYR A 53 33.701 -23.382 -17.616 1.00 0.00 H new ATOM 0 HA TYR A 53 34.759 -20.669 -17.042 1.00 0.00 H new ATOM 0 HB2 TYR A 53 35.731 -23.433 -16.375 1.00 0.00 H new ATOM 0 HB3 TYR A 53 36.893 -22.161 -16.699 1.00 0.00 H new ATOM 0 HD1 TYR A 53 33.721 -22.613 -14.678 1.00 0.00 H new ATOM 0 HD2 TYR A 53 37.710 -21.027 -14.865 1.00 0.00 H new ATOM 0 HE1 TYR A 53 33.406 -21.591 -12.440 1.00 0.00 H new ATOM 0 HE2 TYR A 53 37.446 -20.079 -12.585 1.00 0.00 H new ATOM 0 HH TYR A 53 36.017 -19.708 -10.873 1.00 0.00 H new ATOM 644 N PRO A 54 35.028 -20.743 -19.632 1.00 0.00 N ATOM 645 CA PRO A 54 35.498 -20.642 -21.012 1.00 0.00 C ATOM 646 C PRO A 54 36.968 -20.207 -21.073 1.00 0.00 C ATOM 647 O PRO A 54 37.533 -19.789 -20.068 1.00 0.00 O ATOM 648 CB PRO A 54 34.574 -19.612 -21.672 1.00 0.00 C ATOM 649 CG PRO A 54 34.160 -18.703 -20.512 1.00 0.00 C ATOM 650 CD PRO A 54 34.116 -19.651 -19.318 1.00 0.00 C ATOM 0 HA PRO A 54 35.461 -21.603 -21.526 1.00 0.00 H new ATOM 0 HB2 PRO A 54 35.089 -19.054 -22.454 1.00 0.00 H new ATOM 0 HB3 PRO A 54 33.710 -20.088 -22.136 1.00 0.00 H new ATOM 0 HG2 PRO A 54 34.877 -17.896 -20.358 1.00 0.00 H new ATOM 0 HG3 PRO A 54 33.191 -18.238 -20.692 1.00 0.00 H new ATOM 0 HD2 PRO A 54 34.420 -19.140 -18.404 1.00 0.00 H new ATOM 0 HD3 PRO A 54 33.105 -20.023 -19.154 1.00 0.00 H new ATOM 658 N GLU A 55 37.572 -20.253 -22.264 1.00 0.00 N ATOM 659 CA GLU A 55 38.940 -19.784 -22.516 1.00 0.00 C ATOM 660 C GLU A 55 39.082 -19.176 -23.916 1.00 0.00 C ATOM 661 O GLU A 55 38.171 -19.248 -24.737 1.00 0.00 O ATOM 662 CB GLU A 55 39.936 -20.944 -22.340 1.00 0.00 C ATOM 663 CG GLU A 55 40.386 -21.120 -20.884 1.00 0.00 C ATOM 664 CD GLU A 55 41.577 -22.072 -20.741 1.00 0.00 C ATOM 665 OE1 GLU A 55 41.876 -22.808 -21.713 1.00 0.00 O ATOM 666 OE2 GLU A 55 42.182 -22.051 -19.648 1.00 0.00 O ATOM 0 H GLU A 55 37.116 -20.624 -23.097 1.00 0.00 H new ATOM 0 HA GLU A 55 39.162 -19.001 -21.790 1.00 0.00 H new ATOM 0 HB2 GLU A 55 39.476 -21.869 -22.688 1.00 0.00 H new ATOM 0 HB3 GLU A 55 40.809 -20.766 -22.967 1.00 0.00 H new ATOM 0 HG2 GLU A 55 40.653 -20.147 -20.471 1.00 0.00 H new ATOM 0 HG3 GLU A 55 39.551 -21.499 -20.294 1.00 0.00 H new ATOM 673 N GLU A 56 40.259 -18.604 -24.191 1.00 0.00 N ATOM 674 CA GLU A 56 40.624 -18.029 -25.483 1.00 0.00 C ATOM 675 C GLU A 56 41.792 -18.806 -26.093 1.00 0.00 C ATOM 676 O GLU A 56 42.892 -18.790 -25.558 1.00 0.00 O ATOM 677 CB GLU A 56 40.911 -16.528 -25.335 1.00 0.00 C ATOM 678 CG GLU A 56 42.037 -16.189 -24.338 1.00 0.00 C ATOM 679 CD GLU A 56 42.017 -14.710 -23.960 1.00 0.00 C ATOM 680 OE1 GLU A 56 41.053 -14.311 -23.265 1.00 0.00 O ATOM 681 OE2 GLU A 56 42.947 -13.989 -24.386 1.00 0.00 O ATOM 0 H GLU A 56 41.004 -18.528 -23.498 1.00 0.00 H new ATOM 0 HA GLU A 56 39.789 -18.120 -26.177 1.00 0.00 H new ATOM 0 HB2 GLU A 56 41.174 -16.123 -26.312 1.00 0.00 H new ATOM 0 HB3 GLU A 56 39.997 -16.026 -25.017 1.00 0.00 H new ATOM 0 HG2 GLU A 56 41.926 -16.797 -23.440 1.00 0.00 H new ATOM 0 HG3 GLU A 56 43.002 -16.441 -24.777 1.00 0.00 H new ATOM 688 N ASP A 57 41.546 -19.535 -27.184 1.00 0.00 N ATOM 689 CA ASP A 57 42.525 -20.365 -27.902 1.00 0.00 C ATOM 690 C ASP A 57 43.311 -21.339 -26.990 1.00 0.00 C ATOM 691 O ASP A 57 44.464 -21.671 -27.262 1.00 0.00 O ATOM 692 CB ASP A 57 43.419 -19.462 -28.778 1.00 0.00 C ATOM 693 CG ASP A 57 42.702 -18.811 -29.972 1.00 0.00 C ATOM 694 OD1 ASP A 57 41.450 -18.785 -29.990 1.00 0.00 O ATOM 695 OD2 ASP A 57 43.434 -18.354 -30.879 1.00 0.00 O ATOM 0 H ASP A 57 40.621 -19.567 -27.612 1.00 0.00 H new ATOM 0 HA ASP A 57 41.979 -21.039 -28.562 1.00 0.00 H new ATOM 0 HB2 ASP A 57 43.841 -18.675 -28.152 1.00 0.00 H new ATOM 0 HB3 ASP A 57 44.254 -20.054 -29.152 1.00 0.00 H new ATOM 700 N GLY A 58 42.697 -21.801 -25.892 1.00 0.00 N ATOM 701 CA GLY A 58 43.364 -22.676 -24.921 1.00 0.00 C ATOM 702 C GLY A 58 44.278 -21.913 -23.954 1.00 0.00 C ATOM 703 O GLY A 58 45.105 -22.531 -23.284 1.00 0.00 O ATOM 0 H GLY A 58 41.730 -21.580 -25.654 1.00 0.00 H new ATOM 0 HA2 GLY A 58 42.610 -23.216 -24.349 1.00 0.00 H new ATOM 0 HA3 GLY A 58 43.952 -23.421 -25.456 1.00 0.00 H new ATOM 707 N LYS A 59 44.173 -20.578 -23.909 1.00 0.00 N ATOM 708 CA LYS A 59 44.962 -19.670 -23.087 1.00 0.00 C ATOM 709 C LYS A 59 44.072 -19.039 -22.005 1.00 0.00 C ATOM 710 O LYS A 59 42.882 -19.334 -21.878 1.00 0.00 O ATOM 711 CB LYS A 59 45.641 -18.587 -23.959 1.00 0.00 C ATOM 712 CG LYS A 59 46.209 -19.078 -25.303 1.00 0.00 C ATOM 713 CD LYS A 59 47.140 -18.041 -25.950 1.00 0.00 C ATOM 714 CE LYS A 59 48.507 -18.032 -25.255 1.00 0.00 C ATOM 715 NZ LYS A 59 49.463 -17.161 -25.961 1.00 0.00 N ATOM 0 H LYS A 59 43.492 -20.080 -24.482 1.00 0.00 H new ATOM 0 HA LYS A 59 45.754 -20.236 -22.595 1.00 0.00 H new ATOM 0 HB2 LYS A 59 44.916 -17.798 -24.158 1.00 0.00 H new ATOM 0 HB3 LYS A 59 46.451 -18.138 -23.384 1.00 0.00 H new ATOM 0 HG2 LYS A 59 46.756 -20.008 -25.147 1.00 0.00 H new ATOM 0 HG3 LYS A 59 45.387 -19.301 -25.983 1.00 0.00 H new ATOM 0 HD2 LYS A 59 47.266 -18.268 -27.009 1.00 0.00 H new ATOM 0 HD3 LYS A 59 46.688 -17.051 -25.888 1.00 0.00 H new ATOM 0 HE2 LYS A 59 48.392 -17.690 -24.226 1.00 0.00 H new ATOM 0 HE3 LYS A 59 48.901 -19.047 -25.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 50.378 -17.177 -25.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 49.590 -17.503 -26.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 49.097 -16.188 -25.981 1.00 0.00 H new ATOM 729 N THR A 60 44.671 -18.158 -21.204 1.00 0.00 N ATOM 730 CA THR A 60 44.106 -17.536 -20.008 1.00 0.00 C ATOM 731 C THR A 60 42.810 -16.770 -20.288 1.00 0.00 C ATOM 732 O THR A 60 42.825 -15.754 -20.981 1.00 0.00 O ATOM 733 CB THR A 60 45.144 -16.591 -19.377 1.00 0.00 C ATOM 734 OG1 THR A 60 45.424 -15.520 -20.251 1.00 0.00 O ATOM 735 CG2 THR A 60 46.482 -17.267 -19.041 1.00 0.00 C ATOM 0 H THR A 60 45.623 -17.840 -21.385 1.00 0.00 H new ATOM 0 HA THR A 60 43.855 -18.341 -19.317 1.00 0.00 H new ATOM 0 HB THR A 60 44.690 -16.252 -18.446 1.00 0.00 H new ATOM 0 HG1 THR A 60 44.612 -15.280 -20.744 1.00 0.00 H new ATOM 0 HG21 THR A 60 47.159 -16.535 -18.600 1.00 0.00 H new ATOM 0 HG22 THR A 60 46.312 -18.077 -18.332 1.00 0.00 H new ATOM 0 HG23 THR A 60 46.925 -17.669 -19.952 1.00 0.00 H new ATOM 743 N LYS A 61 41.696 -17.228 -19.713 1.00 0.00 N ATOM 744 CA LYS A 61 40.405 -16.524 -19.715 1.00 0.00 C ATOM 745 C LYS A 61 40.387 -15.249 -18.853 1.00 0.00 C ATOM 746 O LYS A 61 41.293 -15.011 -18.054 1.00 0.00 O ATOM 747 CB LYS A 61 39.336 -17.515 -19.232 1.00 0.00 C ATOM 748 CG LYS A 61 39.375 -17.741 -17.706 1.00 0.00 C ATOM 749 CD LYS A 61 39.046 -19.189 -17.307 1.00 0.00 C ATOM 750 CE LYS A 61 39.689 -19.541 -15.957 1.00 0.00 C ATOM 751 NZ LYS A 61 39.218 -18.660 -14.866 1.00 0.00 N ATOM 0 H LYS A 61 41.662 -18.120 -19.220 1.00 0.00 H new ATOM 0 HA LYS A 61 40.208 -16.181 -20.731 1.00 0.00 H new ATOM 0 HB2 LYS A 61 38.350 -17.145 -19.515 1.00 0.00 H new ATOM 0 HB3 LYS A 61 39.476 -18.469 -19.740 1.00 0.00 H new ATOM 0 HG2 LYS A 61 40.365 -17.482 -17.331 1.00 0.00 H new ATOM 0 HG3 LYS A 61 38.666 -17.067 -17.226 1.00 0.00 H new ATOM 0 HD2 LYS A 61 37.965 -19.318 -17.245 1.00 0.00 H new ATOM 0 HD3 LYS A 61 39.405 -19.874 -18.076 1.00 0.00 H new ATOM 0 HE2 LYS A 61 39.462 -20.578 -15.708 1.00 0.00 H new ATOM 0 HE3 LYS A 61 40.773 -19.463 -16.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 39.557 -19.026 -13.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 39.587 -17.699 -15.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 38.178 -18.635 -14.865 1.00 0.00 H new ATOM 765 N GLY A 62 39.278 -14.511 -18.984 1.00 0.00 N ATOM 766 CA GLY A 62 38.937 -13.301 -18.238 1.00 0.00 C ATOM 767 C GLY A 62 37.475 -13.193 -17.779 1.00 0.00 C ATOM 768 O GLY A 62 37.119 -12.176 -17.183 1.00 0.00 O ATOM 0 H GLY A 62 38.552 -14.761 -19.656 1.00 0.00 H new ATOM 0 HA2 GLY A 62 39.580 -13.244 -17.360 1.00 0.00 H new ATOM 0 HA3 GLY A 62 39.169 -12.436 -18.859 1.00 0.00 H new ATOM 772 N TYR A 63 36.628 -14.204 -18.003 1.00 0.00 N ATOM 773 CA TYR A 63 35.208 -14.234 -17.648 1.00 0.00 C ATOM 774 C TYR A 63 34.795 -15.677 -17.295 1.00 0.00 C ATOM 775 O TYR A 63 35.392 -16.627 -17.808 1.00 0.00 O ATOM 776 CB TYR A 63 34.419 -13.611 -18.826 1.00 0.00 C ATOM 777 CG TYR A 63 33.271 -14.424 -19.415 1.00 0.00 C ATOM 778 CD1 TYR A 63 32.051 -14.523 -18.722 1.00 0.00 C ATOM 779 CD2 TYR A 63 33.417 -15.074 -20.655 1.00 0.00 C ATOM 780 CE1 TYR A 63 30.972 -15.246 -19.262 1.00 0.00 C ATOM 781 CE2 TYR A 63 32.338 -15.780 -21.219 1.00 0.00 C ATOM 782 CZ TYR A 63 31.112 -15.880 -20.520 1.00 0.00 C ATOM 783 OH TYR A 63 30.089 -16.622 -21.043 1.00 0.00 O ATOM 0 H TYR A 63 36.931 -15.065 -18.459 1.00 0.00 H new ATOM 0 HA TYR A 63 34.987 -13.644 -16.758 1.00 0.00 H new ATOM 0 HB2 TYR A 63 34.017 -12.654 -18.492 1.00 0.00 H new ATOM 0 HB3 TYR A 63 35.126 -13.397 -19.628 1.00 0.00 H new ATOM 0 HD1 TYR A 63 31.941 -14.038 -17.763 1.00 0.00 H new ATOM 0 HD2 TYR A 63 34.362 -15.031 -21.176 1.00 0.00 H new ATOM 0 HE1 TYR A 63 30.041 -15.317 -18.719 1.00 0.00 H new ATOM 0 HE2 TYR A 63 32.446 -16.246 -22.187 1.00 0.00 H new ATOM 0 HH TYR A 63 30.358 -16.983 -21.913 1.00 0.00 H new ATOM 793 N ILE A 64 33.775 -15.849 -16.445 1.00 0.00 N ATOM 794 CA ILE A 64 33.140 -17.136 -16.116 1.00 0.00 C ATOM 795 C ILE A 64 31.607 -17.010 -16.104 1.00 0.00 C ATOM 796 O ILE A 64 31.060 -15.903 -16.039 1.00 0.00 O ATOM 797 CB ILE A 64 33.654 -17.714 -14.770 1.00 0.00 C ATOM 798 CG1 ILE A 64 33.201 -16.907 -13.526 1.00 0.00 C ATOM 799 CG2 ILE A 64 35.174 -17.937 -14.719 1.00 0.00 C ATOM 800 CD1 ILE A 64 32.354 -17.746 -12.579 1.00 0.00 C ATOM 0 H ILE A 64 33.351 -15.066 -15.947 1.00 0.00 H new ATOM 0 HA ILE A 64 33.422 -17.839 -16.900 1.00 0.00 H new ATOM 0 HB ILE A 64 33.176 -18.693 -14.729 1.00 0.00 H new ATOM 0 HG12 ILE A 64 34.078 -16.536 -12.996 1.00 0.00 H new ATOM 0 HG13 ILE A 64 32.630 -16.036 -13.847 1.00 0.00 H new ATOM 0 HG21 ILE A 64 35.450 -18.342 -13.745 1.00 0.00 H new ATOM 0 HG22 ILE A 64 35.465 -18.639 -15.500 1.00 0.00 H new ATOM 0 HG23 ILE A 64 35.686 -16.988 -14.875 1.00 0.00 H new ATOM 0 HD11 ILE A 64 32.059 -17.141 -11.722 1.00 0.00 H new ATOM 0 HD12 ILE A 64 31.463 -18.095 -13.101 1.00 0.00 H new ATOM 0 HD13 ILE A 64 32.933 -18.603 -12.236 1.00 0.00 H new ATOM 812 N PHE A 65 30.910 -18.148 -16.091 1.00 0.00 N ATOM 813 CA PHE A 65 29.454 -18.243 -16.072 1.00 0.00 C ATOM 814 C PHE A 65 29.010 -19.286 -15.038 1.00 0.00 C ATOM 815 O PHE A 65 29.459 -20.435 -15.064 1.00 0.00 O ATOM 816 CB PHE A 65 28.978 -18.566 -17.499 1.00 0.00 C ATOM 817 CG PHE A 65 27.511 -18.949 -17.644 1.00 0.00 C ATOM 818 CD1 PHE A 65 26.501 -18.153 -17.074 1.00 0.00 C ATOM 819 CD2 PHE A 65 27.148 -20.105 -18.364 1.00 0.00 C ATOM 820 CE1 PHE A 65 25.150 -18.505 -17.241 1.00 0.00 C ATOM 821 CE2 PHE A 65 25.795 -20.473 -18.497 1.00 0.00 C ATOM 822 CZ PHE A 65 24.791 -19.667 -17.942 1.00 0.00 C ATOM 0 H PHE A 65 31.364 -19.061 -16.094 1.00 0.00 H new ATOM 0 HA PHE A 65 28.998 -17.301 -15.767 1.00 0.00 H new ATOM 0 HB2 PHE A 65 29.170 -17.698 -18.130 1.00 0.00 H new ATOM 0 HB3 PHE A 65 29.586 -19.383 -17.887 1.00 0.00 H new ATOM 0 HD1 PHE A 65 26.763 -17.271 -16.508 1.00 0.00 H new ATOM 0 HD2 PHE A 65 27.915 -20.715 -18.818 1.00 0.00 H new ATOM 0 HE1 PHE A 65 24.379 -17.874 -16.825 1.00 0.00 H new ATOM 0 HE2 PHE A 65 25.531 -21.376 -19.027 1.00 0.00 H new ATOM 0 HZ PHE A 65 23.751 -19.938 -18.053 1.00 0.00 H new ATOM 832 N LEU A 66 28.126 -18.880 -14.118 1.00 0.00 N ATOM 833 CA LEU A 66 27.519 -19.749 -13.108 1.00 0.00 C ATOM 834 C LEU A 66 25.994 -19.624 -13.132 1.00 0.00 C ATOM 835 O LEU A 66 25.440 -18.554 -13.384 1.00 0.00 O ATOM 836 CB LEU A 66 28.041 -19.370 -11.708 1.00 0.00 C ATOM 837 CG LEU A 66 29.509 -19.738 -11.418 1.00 0.00 C ATOM 838 CD1 LEU A 66 29.976 -19.025 -10.140 1.00 0.00 C ATOM 839 CD2 LEU A 66 29.716 -21.248 -11.266 1.00 0.00 C ATOM 0 H LEU A 66 27.807 -17.913 -14.056 1.00 0.00 H new ATOM 0 HA LEU A 66 27.791 -20.780 -13.335 1.00 0.00 H new ATOM 0 HB2 LEU A 66 27.923 -18.295 -11.576 1.00 0.00 H new ATOM 0 HB3 LEU A 66 27.411 -19.854 -10.962 1.00 0.00 H new ATOM 0 HG LEU A 66 30.100 -19.412 -12.274 1.00 0.00 H new ATOM 0 HD11 LEU A 66 31.014 -19.286 -9.936 1.00 0.00 H new ATOM 0 HD12 LEU A 66 29.893 -17.946 -10.274 1.00 0.00 H new ATOM 0 HD13 LEU A 66 29.353 -19.336 -9.302 1.00 0.00 H new ATOM 0 HD21 LEU A 66 30.767 -21.453 -11.063 1.00 0.00 H new ATOM 0 HD22 LEU A 66 29.108 -21.617 -10.440 1.00 0.00 H new ATOM 0 HD23 LEU A 66 29.420 -21.750 -12.187 1.00 0.00 H new ATOM 851 N GLU A 67 25.314 -20.713 -12.778 1.00 0.00 N ATOM 852 CA GLU A 67 23.862 -20.782 -12.699 1.00 0.00 C ATOM 853 C GLU A 67 23.434 -21.518 -11.423 1.00 0.00 C ATOM 854 O GLU A 67 23.944 -22.590 -11.074 1.00 0.00 O ATOM 855 CB GLU A 67 23.313 -21.380 -14.010 1.00 0.00 C ATOM 856 CG GLU A 67 21.931 -22.042 -13.867 1.00 0.00 C ATOM 857 CD GLU A 67 21.418 -22.652 -15.173 1.00 0.00 C ATOM 858 OE1 GLU A 67 21.833 -22.175 -16.252 1.00 0.00 O ATOM 859 OE2 GLU A 67 20.611 -23.602 -15.076 1.00 0.00 O ATOM 0 H GLU A 67 25.771 -21.591 -12.533 1.00 0.00 H new ATOM 0 HA GLU A 67 23.423 -19.788 -12.611 1.00 0.00 H new ATOM 0 HB2 GLU A 67 23.250 -20.590 -14.759 1.00 0.00 H new ATOM 0 HB3 GLU A 67 24.021 -22.119 -14.385 1.00 0.00 H new ATOM 0 HG2 GLU A 67 21.985 -22.821 -13.106 1.00 0.00 H new ATOM 0 HG3 GLU A 67 21.215 -21.300 -13.514 1.00 0.00 H new ATOM 866 N TYR A 68 22.479 -20.908 -10.720 1.00 0.00 N ATOM 867 CA TYR A 68 21.902 -21.466 -9.506 1.00 0.00 C ATOM 868 C TYR A 68 20.618 -22.243 -9.810 1.00 0.00 C ATOM 869 O TYR A 68 20.018 -22.120 -10.876 1.00 0.00 O ATOM 870 CB TYR A 68 21.579 -20.344 -8.517 1.00 0.00 C ATOM 871 CG TYR A 68 22.791 -19.679 -7.912 1.00 0.00 C ATOM 872 CD1 TYR A 68 23.371 -20.193 -6.738 1.00 0.00 C ATOM 873 CD2 TYR A 68 23.303 -18.513 -8.504 1.00 0.00 C ATOM 874 CE1 TYR A 68 24.421 -19.492 -6.121 1.00 0.00 C ATOM 875 CE2 TYR A 68 24.366 -17.829 -7.904 1.00 0.00 C ATOM 876 CZ TYR A 68 24.925 -18.320 -6.711 1.00 0.00 C ATOM 877 OH TYR A 68 25.945 -17.661 -6.120 1.00 0.00 O ATOM 0 H TYR A 68 22.084 -20.005 -10.983 1.00 0.00 H new ATOM 0 HA TYR A 68 22.634 -22.148 -9.073 1.00 0.00 H new ATOM 0 HB2 TYR A 68 20.981 -19.588 -9.026 1.00 0.00 H new ATOM 0 HB3 TYR A 68 20.963 -20.750 -7.714 1.00 0.00 H new ATOM 0 HD1 TYR A 68 23.012 -21.119 -6.314 1.00 0.00 H new ATOM 0 HD2 TYR A 68 22.875 -18.143 -9.424 1.00 0.00 H new ATOM 0 HE1 TYR A 68 24.841 -19.854 -5.194 1.00 0.00 H new ATOM 0 HE2 TYR A 68 24.755 -16.928 -8.355 1.00 0.00 H new ATOM 0 HH TYR A 68 26.782 -17.868 -6.586 1.00 0.00 H new ATOM 887 N ALA A 69 20.155 -22.996 -8.810 1.00 0.00 N ATOM 888 CA ALA A 69 18.916 -23.754 -8.871 1.00 0.00 C ATOM 889 C ALA A 69 17.682 -22.878 -8.607 1.00 0.00 C ATOM 890 O ALA A 69 16.605 -23.429 -8.386 1.00 0.00 O ATOM 891 CB ALA A 69 18.983 -24.872 -7.840 1.00 0.00 C ATOM 0 H ALA A 69 20.645 -23.094 -7.921 1.00 0.00 H new ATOM 0 HA ALA A 69 18.811 -24.158 -9.878 1.00 0.00 H new ATOM 0 HB1 ALA A 69 18.061 -25.452 -7.872 1.00 0.00 H new ATOM 0 HB2 ALA A 69 19.828 -25.523 -8.063 1.00 0.00 H new ATOM 0 HB3 ALA A 69 19.108 -24.443 -6.846 1.00 0.00 H new ATOM 897 N SER A 70 17.805 -21.537 -8.561 1.00 0.00 N ATOM 898 CA SER A 70 16.681 -20.627 -8.318 1.00 0.00 C ATOM 899 C SER A 70 17.050 -19.152 -8.565 1.00 0.00 C ATOM 900 O SER A 70 18.200 -18.780 -8.340 1.00 0.00 O ATOM 901 CB SER A 70 16.265 -20.785 -6.847 1.00 0.00 C ATOM 902 OG SER A 70 15.499 -21.939 -6.673 1.00 0.00 O ATOM 0 H SER A 70 18.695 -21.057 -8.693 1.00 0.00 H new ATOM 0 HA SER A 70 15.877 -20.883 -9.008 1.00 0.00 H new ATOM 0 HB2 SER A 70 17.152 -20.833 -6.216 1.00 0.00 H new ATOM 0 HB3 SER A 70 15.694 -19.912 -6.529 1.00 0.00 H new ATOM 0 HG SER A 70 15.579 -22.508 -7.467 1.00 0.00 H new ATOM 908 N PRO A 71 16.077 -18.285 -8.923 1.00 0.00 N ATOM 909 CA PRO A 71 16.288 -16.857 -9.211 1.00 0.00 C ATOM 910 C PRO A 71 16.770 -16.094 -7.980 1.00 0.00 C ATOM 911 O PRO A 71 17.772 -15.389 -8.049 1.00 0.00 O ATOM 912 CB PRO A 71 14.944 -16.316 -9.728 1.00 0.00 C ATOM 913 CG PRO A 71 13.915 -17.271 -9.120 1.00 0.00 C ATOM 914 CD PRO A 71 14.665 -18.605 -9.072 1.00 0.00 C ATOM 0 HA PRO A 71 17.072 -16.724 -9.956 1.00 0.00 H new ATOM 0 HB2 PRO A 71 14.776 -15.288 -9.407 1.00 0.00 H new ATOM 0 HB3 PRO A 71 14.902 -16.321 -10.817 1.00 0.00 H new ATOM 0 HG2 PRO A 71 13.603 -16.948 -8.127 1.00 0.00 H new ATOM 0 HG3 PRO A 71 13.015 -17.336 -9.731 1.00 0.00 H new ATOM 0 HD2 PRO A 71 14.316 -19.215 -8.239 1.00 0.00 H new ATOM 0 HD3 PRO A 71 14.492 -19.179 -9.982 1.00 0.00 H new ATOM 922 N ALA A 72 16.122 -16.326 -6.832 1.00 0.00 N ATOM 923 CA ALA A 72 16.467 -15.763 -5.529 1.00 0.00 C ATOM 924 C ALA A 72 17.930 -16.011 -5.121 1.00 0.00 C ATOM 925 O ALA A 72 18.443 -15.273 -4.288 1.00 0.00 O ATOM 926 CB ALA A 72 15.508 -16.344 -4.487 1.00 0.00 C ATOM 0 H ALA A 72 15.308 -16.939 -6.788 1.00 0.00 H new ATOM 0 HA ALA A 72 16.364 -14.680 -5.592 1.00 0.00 H new ATOM 0 HB1 ALA A 72 15.748 -15.937 -3.505 1.00 0.00 H new ATOM 0 HB2 ALA A 72 14.483 -16.081 -4.749 1.00 0.00 H new ATOM 0 HB3 ALA A 72 15.609 -17.429 -4.464 1.00 0.00 H new ATOM 932 N HIS A 73 18.622 -17.006 -5.695 1.00 0.00 N ATOM 933 CA HIS A 73 20.043 -17.245 -5.417 1.00 0.00 C ATOM 934 C HIS A 73 20.922 -16.365 -6.314 1.00 0.00 C ATOM 935 O HIS A 73 21.829 -15.701 -5.823 1.00 0.00 O ATOM 936 CB HIS A 73 20.387 -18.725 -5.605 1.00 0.00 C ATOM 937 CG HIS A 73 19.703 -19.711 -4.686 1.00 0.00 C ATOM 938 ND1 HIS A 73 19.982 -21.062 -4.651 1.00 0.00 N ATOM 939 CD2 HIS A 73 18.728 -19.454 -3.759 1.00 0.00 C ATOM 940 CE1 HIS A 73 19.177 -21.622 -3.725 1.00 0.00 C ATOM 941 NE2 HIS A 73 18.404 -20.663 -3.177 1.00 0.00 N ATOM 0 H HIS A 73 18.214 -17.663 -6.360 1.00 0.00 H new ATOM 0 HA HIS A 73 20.240 -16.979 -4.379 1.00 0.00 H new ATOM 0 HB2 HIS A 73 20.150 -19.000 -6.633 1.00 0.00 H new ATOM 0 HB3 HIS A 73 21.464 -18.840 -5.484 1.00 0.00 H new ATOM 0 HD2 HIS A 73 18.296 -18.491 -3.528 1.00 0.00 H new ATOM 0 HE1 HIS A 73 19.155 -22.670 -3.464 1.00 0.00 H new ATOM 0 HE2 HIS A 73 17.699 -20.807 -2.454 1.00 0.00 H new ATOM 950 N ALA A 74 20.637 -16.335 -7.620 1.00 0.00 N ATOM 951 CA ALA A 74 21.359 -15.525 -8.597 1.00 0.00 C ATOM 952 C ALA A 74 21.182 -14.019 -8.350 1.00 0.00 C ATOM 953 O ALA A 74 22.183 -13.307 -8.254 1.00 0.00 O ATOM 954 CB ALA A 74 20.873 -15.889 -10.001 1.00 0.00 C ATOM 0 H ALA A 74 19.883 -16.885 -8.032 1.00 0.00 H new ATOM 0 HA ALA A 74 22.423 -15.740 -8.496 1.00 0.00 H new ATOM 0 HB1 ALA A 74 21.407 -15.289 -10.738 1.00 0.00 H new ATOM 0 HB2 ALA A 74 21.062 -16.946 -10.189 1.00 0.00 H new ATOM 0 HB3 ALA A 74 19.804 -15.692 -10.078 1.00 0.00 H new ATOM 960 N VAL A 75 19.930 -13.546 -8.224 1.00 0.00 N ATOM 961 CA VAL A 75 19.638 -12.121 -8.002 1.00 0.00 C ATOM 962 C VAL A 75 20.272 -11.624 -6.703 1.00 0.00 C ATOM 963 O VAL A 75 20.742 -10.491 -6.642 1.00 0.00 O ATOM 964 CB VAL A 75 18.125 -11.812 -8.040 1.00 0.00 C ATOM 965 CG1 VAL A 75 17.476 -12.310 -9.340 1.00 0.00 C ATOM 966 CG2 VAL A 75 17.364 -12.362 -6.825 1.00 0.00 C ATOM 0 H VAL A 75 19.099 -14.136 -8.273 1.00 0.00 H new ATOM 0 HA VAL A 75 20.088 -11.576 -8.831 1.00 0.00 H new ATOM 0 HB VAL A 75 18.049 -10.725 -8.002 1.00 0.00 H new ATOM 0 HG11 VAL A 75 16.412 -12.074 -9.329 1.00 0.00 H new ATOM 0 HG12 VAL A 75 17.947 -11.821 -10.193 1.00 0.00 H new ATOM 0 HG13 VAL A 75 17.608 -13.389 -9.422 1.00 0.00 H new ATOM 0 HG21 VAL A 75 16.307 -12.111 -6.913 1.00 0.00 H new ATOM 0 HG22 VAL A 75 17.477 -13.445 -6.785 1.00 0.00 H new ATOM 0 HG23 VAL A 75 17.767 -11.921 -5.913 1.00 0.00 H new ATOM 976 N ASP A 76 20.340 -12.490 -5.687 1.00 0.00 N ATOM 977 CA ASP A 76 21.048 -12.221 -4.448 1.00 0.00 C ATOM 978 C ASP A 76 22.559 -12.169 -4.695 1.00 0.00 C ATOM 979 O ASP A 76 23.169 -11.146 -4.394 1.00 0.00 O ATOM 980 CB ASP A 76 20.686 -13.277 -3.402 1.00 0.00 C ATOM 981 CG ASP A 76 21.454 -13.038 -2.105 1.00 0.00 C ATOM 982 OD1 ASP A 76 21.012 -12.176 -1.311 1.00 0.00 O ATOM 983 OD2 ASP A 76 22.526 -13.665 -1.965 1.00 0.00 O ATOM 0 H ASP A 76 19.896 -13.408 -5.710 1.00 0.00 H new ATOM 0 HA ASP A 76 20.744 -11.247 -4.065 1.00 0.00 H new ATOM 0 HB2 ASP A 76 19.614 -13.249 -3.206 1.00 0.00 H new ATOM 0 HB3 ASP A 76 20.914 -14.271 -3.787 1.00 0.00 H new ATOM 988 N ALA A 77 23.168 -13.233 -5.238 1.00 0.00 N ATOM 989 CA ALA A 77 24.615 -13.344 -5.380 1.00 0.00 C ATOM 990 C ALA A 77 25.228 -12.168 -6.158 1.00 0.00 C ATOM 991 O ALA A 77 26.267 -11.651 -5.749 1.00 0.00 O ATOM 992 CB ALA A 77 24.926 -14.672 -6.057 1.00 0.00 C ATOM 0 H ALA A 77 22.660 -14.044 -5.592 1.00 0.00 H new ATOM 0 HA ALA A 77 25.067 -13.308 -4.389 1.00 0.00 H new ATOM 0 HB1 ALA A 77 26.005 -14.777 -6.174 1.00 0.00 H new ATOM 0 HB2 ALA A 77 24.546 -15.490 -5.445 1.00 0.00 H new ATOM 0 HB3 ALA A 77 24.450 -14.701 -7.037 1.00 0.00 H new ATOM 998 N VAL A 78 24.562 -11.695 -7.221 1.00 0.00 N ATOM 999 CA VAL A 78 24.962 -10.493 -7.976 1.00 0.00 C ATOM 1000 C VAL A 78 25.001 -9.236 -7.107 1.00 0.00 C ATOM 1001 O VAL A 78 25.938 -8.450 -7.206 1.00 0.00 O ATOM 1002 CB VAL A 78 24.035 -10.284 -9.185 1.00 0.00 C ATOM 1003 CG1 VAL A 78 24.222 -8.909 -9.839 1.00 0.00 C ATOM 1004 CG2 VAL A 78 24.299 -11.390 -10.212 1.00 0.00 C ATOM 0 H VAL A 78 23.720 -12.140 -7.587 1.00 0.00 H new ATOM 0 HA VAL A 78 25.979 -10.665 -8.329 1.00 0.00 H new ATOM 0 HB VAL A 78 23.006 -10.328 -8.829 1.00 0.00 H new ATOM 0 HG11 VAL A 78 23.544 -8.814 -10.687 1.00 0.00 H new ATOM 0 HG12 VAL A 78 24.005 -8.127 -9.111 1.00 0.00 H new ATOM 0 HG13 VAL A 78 25.251 -8.807 -10.184 1.00 0.00 H new ATOM 0 HG21 VAL A 78 23.646 -11.250 -11.073 1.00 0.00 H new ATOM 0 HG22 VAL A 78 25.339 -11.346 -10.534 1.00 0.00 H new ATOM 0 HG23 VAL A 78 24.100 -12.362 -9.760 1.00 0.00 H new ATOM 1014 N LYS A 79 24.004 -9.058 -6.234 1.00 0.00 N ATOM 1015 CA LYS A 79 23.914 -7.930 -5.297 1.00 0.00 C ATOM 1016 C LYS A 79 24.720 -8.142 -4.004 1.00 0.00 C ATOM 1017 O LYS A 79 24.701 -7.268 -3.141 1.00 0.00 O ATOM 1018 CB LYS A 79 22.435 -7.613 -4.995 1.00 0.00 C ATOM 1019 CG LYS A 79 21.808 -6.642 -6.012 1.00 0.00 C ATOM 1020 CD LYS A 79 20.876 -7.322 -7.021 1.00 0.00 C ATOM 1021 CE LYS A 79 20.010 -6.255 -7.702 1.00 0.00 C ATOM 1022 NZ LYS A 79 18.604 -6.323 -7.253 1.00 0.00 N ATOM 0 H LYS A 79 23.220 -9.706 -6.156 1.00 0.00 H new ATOM 0 HA LYS A 79 24.373 -7.071 -5.786 1.00 0.00 H new ATOM 0 HB2 LYS A 79 21.864 -8.542 -4.988 1.00 0.00 H new ATOM 0 HB3 LYS A 79 22.358 -7.184 -3.996 1.00 0.00 H new ATOM 0 HG2 LYS A 79 21.249 -5.877 -5.473 1.00 0.00 H new ATOM 0 HG3 LYS A 79 22.605 -6.133 -6.553 1.00 0.00 H new ATOM 0 HD2 LYS A 79 21.459 -7.864 -7.765 1.00 0.00 H new ATOM 0 HD3 LYS A 79 20.244 -8.053 -6.516 1.00 0.00 H new ATOM 0 HE2 LYS A 79 20.414 -5.266 -7.485 1.00 0.00 H new ATOM 0 HE3 LYS A 79 20.053 -6.387 -8.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 18.050 -5.587 -7.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 18.211 -7.258 -7.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 18.560 -6.172 -6.225 1.00 0.00 H new ATOM 1036 N ASN A 80 25.441 -9.258 -3.865 1.00 0.00 N ATOM 1037 CA ASN A 80 26.252 -9.558 -2.685 1.00 0.00 C ATOM 1038 C ASN A 80 27.742 -9.625 -3.033 1.00 0.00 C ATOM 1039 O ASN A 80 28.538 -8.927 -2.417 1.00 0.00 O ATOM 1040 CB ASN A 80 25.771 -10.854 -2.020 1.00 0.00 C ATOM 1041 CG ASN A 80 24.536 -10.665 -1.154 1.00 0.00 C ATOM 1042 OD1 ASN A 80 24.601 -10.694 0.062 1.00 0.00 O ATOM 1043 ND2 ASN A 80 23.383 -10.503 -1.756 1.00 0.00 N ATOM 0 H ASN A 80 25.477 -9.986 -4.578 1.00 0.00 H new ATOM 0 HA ASN A 80 26.127 -8.744 -1.970 1.00 0.00 H new ATOM 0 HB2 ASN A 80 25.555 -11.592 -2.793 1.00 0.00 H new ATOM 0 HB3 ASN A 80 26.576 -11.260 -1.408 1.00 0.00 H new ATOM 0 HD21 ASN A 80 22.530 -10.400 -1.206 1.00 0.00 H new ATOM 0 HD22 ASN A 80 23.338 -10.480 -2.775 1.00 0.00 H new ATOM 1050 N ALA A 81 28.123 -10.440 -4.024 1.00 0.00 N ATOM 1051 CA ALA A 81 29.517 -10.665 -4.409 1.00 0.00 C ATOM 1052 C ALA A 81 30.034 -9.652 -5.453 1.00 0.00 C ATOM 1053 O ALA A 81 31.017 -9.940 -6.133 1.00 0.00 O ATOM 1054 CB ALA A 81 29.656 -12.099 -4.932 1.00 0.00 C ATOM 0 H ALA A 81 27.459 -10.969 -4.589 1.00 0.00 H new ATOM 0 HA ALA A 81 30.135 -10.517 -3.524 1.00 0.00 H new ATOM 0 HB1 ALA A 81 30.690 -12.281 -5.223 1.00 0.00 H new ATOM 0 HB2 ALA A 81 29.370 -12.801 -4.149 1.00 0.00 H new ATOM 0 HB3 ALA A 81 29.006 -12.236 -5.797 1.00 0.00 H new ATOM 1060 N ASP A 82 29.377 -8.495 -5.612 1.00 0.00 N ATOM 1061 CA ASP A 82 29.709 -7.425 -6.561 1.00 0.00 C ATOM 1062 C ASP A 82 31.182 -6.961 -6.472 1.00 0.00 C ATOM 1063 O ASP A 82 31.500 -6.005 -5.771 1.00 0.00 O ATOM 1064 CB ASP A 82 28.728 -6.255 -6.368 1.00 0.00 C ATOM 1065 CG ASP A 82 29.061 -5.070 -7.287 1.00 0.00 C ATOM 1066 OD1 ASP A 82 29.527 -5.327 -8.423 1.00 0.00 O ATOM 1067 OD2 ASP A 82 28.843 -3.920 -6.850 1.00 0.00 O ATOM 0 H ASP A 82 28.555 -8.269 -5.051 1.00 0.00 H new ATOM 0 HA ASP A 82 29.601 -7.828 -7.568 1.00 0.00 H new ATOM 0 HB2 ASP A 82 27.712 -6.596 -6.569 1.00 0.00 H new ATOM 0 HB3 ASP A 82 28.754 -5.927 -5.329 1.00 0.00 H new ATOM 1072 N GLY A 83 32.078 -7.643 -7.195 1.00 0.00 N ATOM 1073 CA GLY A 83 33.513 -7.362 -7.217 1.00 0.00 C ATOM 1074 C GLY A 83 34.241 -8.070 -6.071 1.00 0.00 C ATOM 1075 O GLY A 83 34.289 -7.574 -4.948 1.00 0.00 O ATOM 0 H GLY A 83 31.816 -8.425 -7.795 1.00 0.00 H new ATOM 0 HA2 GLY A 83 33.933 -7.683 -8.170 1.00 0.00 H new ATOM 0 HA3 GLY A 83 33.675 -6.287 -7.143 1.00 0.00 H new ATOM 1079 N TYR A 84 34.804 -9.252 -6.344 1.00 0.00 N ATOM 1080 CA TYR A 84 35.587 -10.020 -5.372 1.00 0.00 C ATOM 1081 C TYR A 84 36.811 -9.243 -4.861 1.00 0.00 C ATOM 1082 O TYR A 84 37.366 -8.378 -5.537 1.00 0.00 O ATOM 1083 CB TYR A 84 36.042 -11.353 -5.970 1.00 0.00 C ATOM 1084 CG TYR A 84 34.959 -12.097 -6.714 1.00 0.00 C ATOM 1085 CD1 TYR A 84 33.964 -12.785 -5.998 1.00 0.00 C ATOM 1086 CD2 TYR A 84 34.973 -12.133 -8.120 1.00 0.00 C ATOM 1087 CE1 TYR A 84 33.025 -13.562 -6.691 1.00 0.00 C ATOM 1088 CE2 TYR A 84 34.034 -12.902 -8.819 1.00 0.00 C ATOM 1089 CZ TYR A 84 33.085 -13.648 -8.094 1.00 0.00 C ATOM 1090 OH TYR A 84 32.267 -14.511 -8.743 1.00 0.00 O ATOM 0 H TYR A 84 34.728 -9.706 -7.254 1.00 0.00 H new ATOM 0 HA TYR A 84 34.929 -10.206 -4.523 1.00 0.00 H new ATOM 0 HB2 TYR A 84 36.874 -11.169 -6.650 1.00 0.00 H new ATOM 0 HB3 TYR A 84 36.420 -11.988 -5.169 1.00 0.00 H new ATOM 0 HD1 TYR A 84 33.923 -12.716 -4.921 1.00 0.00 H new ATOM 0 HD2 TYR A 84 35.712 -11.564 -8.664 1.00 0.00 H new ATOM 0 HE1 TYR A 84 32.257 -14.094 -6.149 1.00 0.00 H new ATOM 0 HE2 TYR A 84 34.038 -12.923 -9.899 1.00 0.00 H new ATOM 0 HH TYR A 84 31.677 -14.952 -8.096 1.00 0.00 H new ATOM 1100 N LYS A 85 37.289 -9.610 -3.672 1.00 0.00 N ATOM 1101 CA LYS A 85 38.338 -8.890 -2.941 1.00 0.00 C ATOM 1102 C LYS A 85 39.627 -9.724 -2.911 1.00 0.00 C ATOM 1103 O LYS A 85 40.127 -10.082 -1.853 1.00 0.00 O ATOM 1104 CB LYS A 85 37.820 -8.375 -1.571 1.00 0.00 C ATOM 1105 CG LYS A 85 36.614 -9.127 -0.982 1.00 0.00 C ATOM 1106 CD LYS A 85 35.257 -8.630 -1.533 1.00 0.00 C ATOM 1107 CE LYS A 85 34.338 -9.785 -1.941 1.00 0.00 C ATOM 1108 NZ LYS A 85 33.196 -9.314 -2.750 1.00 0.00 N ATOM 0 H LYS A 85 36.951 -10.435 -3.177 1.00 0.00 H new ATOM 0 HA LYS A 85 38.610 -7.975 -3.467 1.00 0.00 H new ATOM 0 HB2 LYS A 85 38.639 -8.423 -0.853 1.00 0.00 H new ATOM 0 HB3 LYS A 85 37.551 -7.324 -1.678 1.00 0.00 H new ATOM 0 HG2 LYS A 85 36.718 -10.191 -1.196 1.00 0.00 H new ATOM 0 HG3 LYS A 85 36.620 -9.018 0.102 1.00 0.00 H new ATOM 0 HD2 LYS A 85 34.760 -8.023 -0.776 1.00 0.00 H new ATOM 0 HD3 LYS A 85 35.431 -7.985 -2.394 1.00 0.00 H new ATOM 0 HE2 LYS A 85 34.908 -10.520 -2.509 1.00 0.00 H new ATOM 0 HE3 LYS A 85 33.968 -10.289 -1.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 32.785 -10.115 -3.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 32.475 -8.901 -2.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 33.523 -8.594 -3.425 1.00 0.00 H new ATOM 1122 N LEU A 86 40.200 -9.935 -4.108 1.00 0.00 N ATOM 1123 CA LEU A 86 41.505 -10.586 -4.348 1.00 0.00 C ATOM 1124 C LEU A 86 42.692 -9.819 -3.736 1.00 0.00 C ATOM 1125 O LEU A 86 43.824 -10.286 -3.792 1.00 0.00 O ATOM 1126 CB LEU A 86 41.687 -10.828 -5.869 1.00 0.00 C ATOM 1127 CG LEU A 86 42.962 -11.595 -6.303 1.00 0.00 C ATOM 1128 CD1 LEU A 86 43.041 -12.976 -5.648 1.00 0.00 C ATOM 1129 CD2 LEU A 86 43.025 -11.792 -7.814 1.00 0.00 C ATOM 0 H LEU A 86 39.748 -9.645 -4.975 1.00 0.00 H new ATOM 0 HA LEU A 86 41.499 -11.546 -3.832 1.00 0.00 H new ATOM 0 HB2 LEU A 86 40.819 -11.378 -6.233 1.00 0.00 H new ATOM 0 HB3 LEU A 86 41.685 -9.860 -6.370 1.00 0.00 H new ATOM 0 HG LEU A 86 43.800 -10.979 -5.978 1.00 0.00 H new ATOM 0 HD11 LEU A 86 43.948 -13.483 -5.977 1.00 0.00 H new ATOM 0 HD12 LEU A 86 43.060 -12.864 -4.564 1.00 0.00 H new ATOM 0 HD13 LEU A 86 42.171 -13.566 -5.936 1.00 0.00 H new ATOM 0 HD21 LEU A 86 43.935 -12.334 -8.073 1.00 0.00 H new ATOM 0 HD22 LEU A 86 42.157 -12.363 -8.143 1.00 0.00 H new ATOM 0 HD23 LEU A 86 43.029 -10.820 -8.308 1.00 0.00 H new ATOM 1141 N ASP A 87 42.454 -8.640 -3.146 1.00 0.00 N ATOM 1142 CA ASP A 87 43.482 -7.804 -2.520 1.00 0.00 C ATOM 1143 C ASP A 87 44.550 -7.348 -3.544 1.00 0.00 C ATOM 1144 O ASP A 87 45.728 -7.183 -3.231 1.00 0.00 O ATOM 1145 CB ASP A 87 44.039 -8.560 -1.293 1.00 0.00 C ATOM 1146 CG ASP A 87 44.459 -7.659 -0.133 1.00 0.00 C ATOM 1147 OD1 ASP A 87 44.692 -6.452 -0.363 1.00 0.00 O ATOM 1148 OD2 ASP A 87 44.504 -8.191 1.000 1.00 0.00 O ATOM 0 H ASP A 87 41.520 -8.234 -3.090 1.00 0.00 H new ATOM 0 HA ASP A 87 43.055 -6.868 -2.160 1.00 0.00 H new ATOM 0 HB2 ASP A 87 43.282 -9.259 -0.938 1.00 0.00 H new ATOM 0 HB3 ASP A 87 44.898 -9.153 -1.606 1.00 0.00 H new ATOM 1153 N LYS A 88 44.114 -7.160 -4.799 1.00 0.00 N ATOM 1154 CA LYS A 88 44.909 -6.786 -5.976 1.00 0.00 C ATOM 1155 C LYS A 88 44.527 -5.392 -6.494 1.00 0.00 C ATOM 1156 O LYS A 88 43.528 -4.809 -6.080 1.00 0.00 O ATOM 1157 CB LYS A 88 44.718 -7.860 -7.077 1.00 0.00 C ATOM 1158 CG LYS A 88 46.033 -8.471 -7.601 1.00 0.00 C ATOM 1159 CD LYS A 88 46.312 -8.132 -9.075 1.00 0.00 C ATOM 1160 CE LYS A 88 45.480 -8.999 -10.035 1.00 0.00 C ATOM 1161 NZ LYS A 88 44.771 -8.192 -11.047 1.00 0.00 N ATOM 0 H LYS A 88 43.128 -7.274 -5.033 1.00 0.00 H new ATOM 0 HA LYS A 88 45.960 -6.740 -5.692 1.00 0.00 H new ATOM 0 HB2 LYS A 88 44.091 -8.660 -6.683 1.00 0.00 H new ATOM 0 HB3 LYS A 88 44.179 -7.415 -7.913 1.00 0.00 H new ATOM 0 HG2 LYS A 88 46.861 -8.114 -6.989 1.00 0.00 H new ATOM 0 HG3 LYS A 88 45.995 -9.554 -7.485 1.00 0.00 H new ATOM 0 HD2 LYS A 88 46.090 -7.080 -9.253 1.00 0.00 H new ATOM 0 HD3 LYS A 88 47.372 -8.274 -9.285 1.00 0.00 H new ATOM 0 HE2 LYS A 88 46.134 -9.713 -10.536 1.00 0.00 H new ATOM 0 HE3 LYS A 88 44.755 -9.578 -9.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 44.224 -8.820 -11.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 44.126 -7.528 -10.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 45.462 -7.659 -11.612 1.00 0.00 H new ATOM 1175 N GLN A 89 45.311 -4.874 -7.447 1.00 0.00 N ATOM 1176 CA GLN A 89 45.151 -3.511 -7.978 1.00 0.00 C ATOM 1177 C GLN A 89 43.889 -3.316 -8.829 1.00 0.00 C ATOM 1178 O GLN A 89 43.384 -2.203 -8.925 1.00 0.00 O ATOM 1179 CB GLN A 89 46.351 -3.083 -8.838 1.00 0.00 C ATOM 1180 CG GLN A 89 47.725 -3.326 -8.190 1.00 0.00 C ATOM 1181 CD GLN A 89 48.240 -4.730 -8.487 1.00 0.00 C ATOM 1182 OE1 GLN A 89 48.509 -5.093 -9.614 1.00 0.00 O ATOM 1183 NE2 GLN A 89 48.323 -5.592 -7.497 1.00 0.00 N ATOM 0 H GLN A 89 46.079 -5.390 -7.875 1.00 0.00 H new ATOM 0 HA GLN A 89 45.071 -2.893 -7.084 1.00 0.00 H new ATOM 0 HB2 GLN A 89 46.311 -3.620 -9.786 1.00 0.00 H new ATOM 0 HB3 GLN A 89 46.256 -2.022 -9.068 1.00 0.00 H new ATOM 0 HG2 GLN A 89 48.439 -2.589 -8.559 1.00 0.00 H new ATOM 0 HG3 GLN A 89 47.651 -3.185 -7.112 1.00 0.00 H new ATOM 0 HE21 GLN A 89 48.100 -5.299 -6.546 1.00 0.00 H new ATOM 0 HE22 GLN A 89 48.611 -6.553 -7.680 1.00 0.00 H new ATOM 1192 N HIS A 90 43.399 -4.383 -9.472 1.00 0.00 N ATOM 1193 CA HIS A 90 42.220 -4.377 -10.348 1.00 0.00 C ATOM 1194 C HIS A 90 41.133 -5.269 -9.751 1.00 0.00 C ATOM 1195 O HIS A 90 41.416 -6.408 -9.383 1.00 0.00 O ATOM 1196 CB HIS A 90 42.587 -4.873 -11.760 1.00 0.00 C ATOM 1197 CG HIS A 90 43.334 -3.870 -12.606 1.00 0.00 C ATOM 1198 ND1 HIS A 90 44.445 -3.151 -12.220 1.00 0.00 N ATOM 1199 CD2 HIS A 90 43.038 -3.541 -13.900 1.00 0.00 C ATOM 1200 CE1 HIS A 90 44.823 -2.391 -13.266 1.00 0.00 C ATOM 1201 NE2 HIS A 90 43.983 -2.614 -14.296 1.00 0.00 N ATOM 0 H HIS A 90 43.827 -5.306 -9.394 1.00 0.00 H new ATOM 0 HA HIS A 90 41.850 -3.355 -10.428 1.00 0.00 H new ATOM 0 HB2 HIS A 90 43.194 -5.774 -11.668 1.00 0.00 H new ATOM 0 HB3 HIS A 90 41.672 -5.157 -12.280 1.00 0.00 H new ATOM 0 HD2 HIS A 90 42.225 -3.930 -14.496 1.00 0.00 H new ATOM 0 HE1 HIS A 90 45.663 -1.713 -13.277 1.00 0.00 H new ATOM 0 HE2 HIS A 90 44.036 -2.172 -15.214 1.00 0.00 H new ATOM 1210 N THR A 91 39.907 -4.748 -9.696 1.00 0.00 N ATOM 1211 CA THR A 91 38.742 -5.432 -9.129 1.00 0.00 C ATOM 1212 C THR A 91 37.905 -6.092 -10.231 1.00 0.00 C ATOM 1213 O THR A 91 38.051 -5.797 -11.417 1.00 0.00 O ATOM 1214 CB THR A 91 37.883 -4.457 -8.291 1.00 0.00 C ATOM 1215 OG1 THR A 91 38.695 -3.494 -7.659 1.00 0.00 O ATOM 1216 CG2 THR A 91 37.114 -5.164 -7.174 1.00 0.00 C ATOM 0 H THR A 91 39.690 -3.817 -10.052 1.00 0.00 H new ATOM 0 HA THR A 91 39.103 -6.218 -8.465 1.00 0.00 H new ATOM 0 HB THR A 91 37.187 -4.003 -8.996 1.00 0.00 H new ATOM 0 HG1 THR A 91 38.133 -2.885 -7.135 1.00 0.00 H new ATOM 0 HG21 THR A 91 36.528 -4.433 -6.617 1.00 0.00 H new ATOM 0 HG22 THR A 91 36.448 -5.910 -7.607 1.00 0.00 H new ATOM 0 HG23 THR A 91 37.818 -5.653 -6.501 1.00 0.00 H new ATOM 1224 N PHE A 92 37.011 -6.990 -9.831 1.00 0.00 N ATOM 1225 CA PHE A 92 36.113 -7.749 -10.708 1.00 0.00 C ATOM 1226 C PHE A 92 34.747 -7.077 -10.809 1.00 0.00 C ATOM 1227 O PHE A 92 34.458 -6.139 -10.067 1.00 0.00 O ATOM 1228 CB PHE A 92 35.935 -9.166 -10.159 1.00 0.00 C ATOM 1229 CG PHE A 92 37.233 -9.802 -9.728 1.00 0.00 C ATOM 1230 CD1 PHE A 92 37.760 -9.511 -8.464 1.00 0.00 C ATOM 1231 CD2 PHE A 92 37.936 -10.639 -10.600 1.00 0.00 C ATOM 1232 CE1 PHE A 92 38.985 -10.058 -8.062 1.00 0.00 C ATOM 1233 CE2 PHE A 92 39.153 -11.211 -10.199 1.00 0.00 C ATOM 1234 CZ PHE A 92 39.673 -10.915 -8.929 1.00 0.00 C ATOM 0 H PHE A 92 36.883 -7.222 -8.846 1.00 0.00 H new ATOM 0 HA PHE A 92 36.559 -7.784 -11.702 1.00 0.00 H new ATOM 0 HB2 PHE A 92 35.252 -9.137 -9.310 1.00 0.00 H new ATOM 0 HB3 PHE A 92 35.468 -9.789 -10.922 1.00 0.00 H new ATOM 0 HD1 PHE A 92 37.218 -8.860 -7.794 1.00 0.00 H new ATOM 0 HD2 PHE A 92 37.542 -10.846 -11.584 1.00 0.00 H new ATOM 0 HE1 PHE A 92 39.395 -9.821 -7.092 1.00 0.00 H new ATOM 0 HE2 PHE A 92 39.686 -11.875 -10.863 1.00 0.00 H new ATOM 0 HZ PHE A 92 40.611 -11.352 -8.619 1.00 0.00 H new ATOM 1244 N ARG A 93 33.883 -7.593 -11.693 1.00 0.00 N ATOM 1245 CA ARG A 93 32.528 -7.062 -11.913 1.00 0.00 C ATOM 1246 C ARG A 93 31.510 -8.204 -12.017 1.00 0.00 C ATOM 1247 O ARG A 93 31.338 -8.784 -13.085 1.00 0.00 O ATOM 1248 CB ARG A 93 32.500 -6.140 -13.154 1.00 0.00 C ATOM 1249 CG ARG A 93 33.583 -5.041 -13.175 1.00 0.00 C ATOM 1250 CD ARG A 93 33.400 -3.970 -12.092 1.00 0.00 C ATOM 1251 NE ARG A 93 32.471 -2.915 -12.522 1.00 0.00 N ATOM 1252 CZ ARG A 93 31.892 -2.017 -11.736 1.00 0.00 C ATOM 1253 NH1 ARG A 93 32.034 -2.024 -10.428 1.00 0.00 N ATOM 1254 NH2 ARG A 93 31.144 -1.077 -12.265 1.00 0.00 N ATOM 0 H ARG A 93 34.105 -8.397 -12.281 1.00 0.00 H new ATOM 0 HA ARG A 93 32.244 -6.455 -11.054 1.00 0.00 H new ATOM 0 HB2 ARG A 93 32.610 -6.755 -14.047 1.00 0.00 H new ATOM 0 HB3 ARG A 93 31.521 -5.665 -13.213 1.00 0.00 H new ATOM 0 HG2 ARG A 93 34.561 -5.506 -13.052 1.00 0.00 H new ATOM 0 HG3 ARG A 93 33.580 -4.560 -14.153 1.00 0.00 H new ATOM 0 HD2 ARG A 93 33.026 -4.435 -11.180 1.00 0.00 H new ATOM 0 HD3 ARG A 93 34.367 -3.528 -11.851 1.00 0.00 H new ATOM 0 HE ARG A 93 32.251 -2.869 -13.517 1.00 0.00 H new ATOM 0 HH11 ARG A 93 32.608 -2.739 -9.981 1.00 0.00 H new ATOM 0 HH12 ARG A 93 31.571 -1.314 -9.861 1.00 0.00 H new ATOM 0 HH21 ARG A 93 31.010 -1.040 -13.276 1.00 0.00 H new ATOM 0 HH22 ARG A 93 30.696 -0.384 -11.666 1.00 0.00 H new ATOM 1268 N VAL A 94 30.858 -8.550 -10.903 1.00 0.00 N ATOM 1269 CA VAL A 94 29.843 -9.618 -10.849 1.00 0.00 C ATOM 1270 C VAL A 94 28.459 -9.035 -11.144 1.00 0.00 C ATOM 1271 O VAL A 94 27.926 -8.290 -10.331 1.00 0.00 O ATOM 1272 CB VAL A 94 29.855 -10.357 -9.495 1.00 0.00 C ATOM 1273 CG1 VAL A 94 28.806 -11.483 -9.479 1.00 0.00 C ATOM 1274 CG2 VAL A 94 31.237 -10.948 -9.195 1.00 0.00 C ATOM 0 H VAL A 94 31.018 -8.096 -10.004 1.00 0.00 H new ATOM 0 HA VAL A 94 30.088 -10.356 -11.613 1.00 0.00 H new ATOM 0 HB VAL A 94 29.612 -9.625 -8.725 1.00 0.00 H new ATOM 0 HG11 VAL A 94 28.832 -11.991 -8.515 1.00 0.00 H new ATOM 0 HG12 VAL A 94 27.815 -11.059 -9.639 1.00 0.00 H new ATOM 0 HG13 VAL A 94 29.027 -12.198 -10.272 1.00 0.00 H new ATOM 0 HG21 VAL A 94 31.212 -11.462 -8.234 1.00 0.00 H new ATOM 0 HG22 VAL A 94 31.508 -11.656 -9.978 1.00 0.00 H new ATOM 0 HG23 VAL A 94 31.975 -10.147 -9.159 1.00 0.00 H new ATOM 1284 N ASN A 95 27.887 -9.363 -12.307 1.00 0.00 N ATOM 1285 CA ASN A 95 26.568 -8.907 -12.753 1.00 0.00 C ATOM 1286 C ASN A 95 25.730 -10.076 -13.319 1.00 0.00 C ATOM 1287 O ASN A 95 26.131 -11.239 -13.292 1.00 0.00 O ATOM 1288 CB ASN A 95 26.743 -7.715 -13.717 1.00 0.00 C ATOM 1289 CG ASN A 95 27.196 -6.454 -12.994 1.00 0.00 C ATOM 1290 OD1 ASN A 95 26.400 -5.675 -12.500 1.00 0.00 O ATOM 1291 ND2 ASN A 95 28.489 -6.223 -12.897 1.00 0.00 N ATOM 0 H ASN A 95 28.344 -9.973 -12.985 1.00 0.00 H new ATOM 0 HA ASN A 95 25.986 -8.543 -11.906 1.00 0.00 H new ATOM 0 HB2 ASN A 95 27.473 -7.974 -14.484 1.00 0.00 H new ATOM 0 HB3 ASN A 95 25.800 -7.521 -14.227 1.00 0.00 H new ATOM 0 HD21 ASN A 95 28.823 -5.392 -12.409 1.00 0.00 H new ATOM 0 HD22 ASN A 95 29.156 -6.875 -13.310 1.00 0.00 H new TER 1298 ASN A 95 ATOM 1299 N ASP B 45 39.200 -21.405 -0.196 1.00 0.00 N ATOM 1300 CA ASP B 45 38.700 -22.772 -0.296 1.00 0.00 C ATOM 1301 C ASP B 45 38.314 -23.364 1.067 1.00 0.00 C ATOM 1302 O ASP B 45 37.330 -24.085 1.139 1.00 0.00 O ATOM 1303 CB ASP B 45 39.768 -23.627 -0.993 1.00 0.00 C ATOM 1304 CG ASP B 45 39.482 -25.128 -0.994 1.00 0.00 C ATOM 1305 OD1 ASP B 45 38.621 -25.547 -1.799 1.00 0.00 O ATOM 1306 OD2 ASP B 45 40.182 -25.838 -0.243 1.00 0.00 O ATOM 0 HA ASP B 45 37.781 -22.766 -0.883 1.00 0.00 H new ATOM 0 HB2 ASP B 45 39.868 -23.289 -2.024 1.00 0.00 H new ATOM 0 HB3 ASP B 45 40.728 -23.454 -0.506 1.00 0.00 H new ATOM 1311 N GLU B 46 39.062 -23.089 2.136 1.00 0.00 N ATOM 1312 CA GLU B 46 38.748 -23.536 3.499 1.00 0.00 C ATOM 1313 C GLU B 46 39.354 -22.557 4.509 1.00 0.00 C ATOM 1314 O GLU B 46 38.634 -21.774 5.122 1.00 0.00 O ATOM 1315 CB GLU B 46 39.267 -24.970 3.766 1.00 0.00 C ATOM 1316 CG GLU B 46 38.486 -26.111 3.089 1.00 0.00 C ATOM 1317 CD GLU B 46 36.984 -26.120 3.410 1.00 0.00 C ATOM 1318 OE1 GLU B 46 36.625 -25.693 4.529 1.00 0.00 O ATOM 1319 OE2 GLU B 46 36.205 -26.586 2.549 1.00 0.00 O ATOM 0 H GLU B 46 39.919 -22.539 2.081 1.00 0.00 H new ATOM 0 HA GLU B 46 37.664 -23.556 3.610 1.00 0.00 H new ATOM 0 HB2 GLU B 46 40.306 -25.025 3.440 1.00 0.00 H new ATOM 0 HB3 GLU B 46 39.261 -25.142 4.842 1.00 0.00 H new ATOM 0 HG2 GLU B 46 38.615 -26.035 2.009 1.00 0.00 H new ATOM 0 HG3 GLU B 46 38.918 -27.064 3.395 1.00 0.00 H new ATOM 1326 N ASP B 47 40.682 -22.601 4.661 1.00 0.00 N ATOM 1327 CA ASP B 47 41.444 -21.681 5.498 1.00 0.00 C ATOM 1328 C ASP B 47 41.716 -20.350 4.770 1.00 0.00 C ATOM 1329 O ASP B 47 41.325 -20.186 3.615 1.00 0.00 O ATOM 1330 CB ASP B 47 42.739 -22.382 5.935 1.00 0.00 C ATOM 1331 CG ASP B 47 43.123 -21.980 7.356 1.00 0.00 C ATOM 1332 OD1 ASP B 47 42.403 -22.388 8.290 1.00 0.00 O ATOM 1333 OD2 ASP B 47 44.100 -21.209 7.492 1.00 0.00 O ATOM 0 H ASP B 47 41.266 -23.294 4.193 1.00 0.00 H new ATOM 0 HA ASP B 47 40.865 -21.421 6.384 1.00 0.00 H new ATOM 0 HB2 ASP B 47 42.608 -23.463 5.881 1.00 0.00 H new ATOM 0 HB3 ASP B 47 43.546 -22.124 5.249 1.00 0.00 H new ATOM 1338 N VAL B 48 42.421 -19.423 5.438 1.00 0.00 N ATOM 1339 CA VAL B 48 42.716 -18.037 5.014 1.00 0.00 C ATOM 1340 C VAL B 48 41.500 -17.128 5.271 1.00 0.00 C ATOM 1341 O VAL B 48 40.374 -17.589 5.451 1.00 0.00 O ATOM 1342 CB VAL B 48 43.263 -17.925 3.556 1.00 0.00 C ATOM 1343 CG1 VAL B 48 43.856 -16.537 3.254 1.00 0.00 C ATOM 1344 CG2 VAL B 48 44.378 -18.952 3.301 1.00 0.00 C ATOM 0 H VAL B 48 42.829 -19.631 6.349 1.00 0.00 H new ATOM 0 HA VAL B 48 43.540 -17.682 5.633 1.00 0.00 H new ATOM 0 HB VAL B 48 42.404 -18.108 2.910 1.00 0.00 H new ATOM 0 HG11 VAL B 48 44.222 -16.513 2.227 1.00 0.00 H new ATOM 0 HG12 VAL B 48 43.086 -15.776 3.383 1.00 0.00 H new ATOM 0 HG13 VAL B 48 44.681 -16.337 3.938 1.00 0.00 H new ATOM 0 HG21 VAL B 48 44.739 -18.850 2.278 1.00 0.00 H new ATOM 0 HG22 VAL B 48 45.200 -18.777 3.995 1.00 0.00 H new ATOM 0 HG23 VAL B 48 43.986 -19.958 3.449 1.00 0.00 H new ATOM 1354 N LYS B 49 41.727 -15.811 5.315 1.00 0.00 N ATOM 1355 CA LYS B 49 40.659 -14.808 5.303 1.00 0.00 C ATOM 1356 C LYS B 49 39.836 -14.879 4.010 1.00 0.00 C ATOM 1357 O LYS B 49 40.127 -15.625 3.074 1.00 0.00 O ATOM 1358 CB LYS B 49 41.252 -13.397 5.531 1.00 0.00 C ATOM 1359 CG LYS B 49 42.082 -12.849 4.341 1.00 0.00 C ATOM 1360 CD LYS B 49 41.421 -11.638 3.666 1.00 0.00 C ATOM 1361 CE LYS B 49 41.717 -10.354 4.445 1.00 0.00 C ATOM 1362 NZ LYS B 49 40.676 -9.340 4.206 1.00 0.00 N ATOM 0 H LYS B 49 42.663 -15.409 5.360 1.00 0.00 H new ATOM 0 HA LYS B 49 39.973 -15.024 6.122 1.00 0.00 H new ATOM 0 HB2 LYS B 49 40.437 -12.703 5.739 1.00 0.00 H new ATOM 0 HB3 LYS B 49 41.885 -13.421 6.418 1.00 0.00 H new ATOM 0 HG2 LYS B 49 43.074 -12.567 4.694 1.00 0.00 H new ATOM 0 HG3 LYS B 49 42.220 -13.640 3.604 1.00 0.00 H new ATOM 0 HD2 LYS B 49 41.787 -11.541 2.644 1.00 0.00 H new ATOM 0 HD3 LYS B 49 40.344 -11.792 3.606 1.00 0.00 H new ATOM 0 HE2 LYS B 49 41.776 -10.576 5.511 1.00 0.00 H new ATOM 0 HE3 LYS B 49 42.689 -9.960 4.148 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 40.900 -8.479 4.745 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 40.639 -9.113 3.192 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 39.754 -9.710 4.512 1.00 0.00 H new ATOM 1376 N ASP B 50 38.833 -14.007 3.941 1.00 0.00 N ATOM 1377 CA ASP B 50 37.984 -13.767 2.779 1.00 0.00 C ATOM 1378 C ASP B 50 38.763 -13.118 1.608 1.00 0.00 C ATOM 1379 O ASP B 50 38.427 -12.040 1.138 1.00 0.00 O ATOM 1380 CB ASP B 50 36.795 -12.902 3.221 1.00 0.00 C ATOM 1381 CG ASP B 50 36.092 -13.415 4.475 1.00 0.00 C ATOM 1382 OD1 ASP B 50 35.392 -14.443 4.352 1.00 0.00 O ATOM 1383 OD2 ASP B 50 36.304 -12.802 5.550 1.00 0.00 O ATOM 0 H ASP B 50 38.578 -13.419 4.735 1.00 0.00 H new ATOM 0 HA ASP B 50 37.622 -14.721 2.396 1.00 0.00 H new ATOM 0 HB2 ASP B 50 37.145 -11.886 3.402 1.00 0.00 H new ATOM 0 HB3 ASP B 50 36.073 -12.850 2.406 1.00 0.00 H new ATOM 1388 N ASN B 51 39.805 -13.781 1.100 1.00 0.00 N ATOM 1389 CA ASN B 51 40.588 -13.373 -0.076 1.00 0.00 C ATOM 1390 C ASN B 51 39.764 -13.373 -1.386 1.00 0.00 C ATOM 1391 O ASN B 51 40.239 -12.952 -2.433 1.00 0.00 O ATOM 1392 CB ASN B 51 41.784 -14.338 -0.141 1.00 0.00 C ATOM 1393 CG ASN B 51 42.767 -14.051 -1.268 1.00 0.00 C ATOM 1394 OD1 ASN B 51 43.683 -13.261 -1.145 1.00 0.00 O ATOM 1395 ND2 ASN B 51 42.630 -14.717 -2.395 1.00 0.00 N ATOM 0 H ASN B 51 40.142 -14.652 1.511 1.00 0.00 H new ATOM 0 HA ASN B 51 40.916 -12.339 0.026 1.00 0.00 H new ATOM 0 HB2 ASN B 51 42.318 -14.299 0.808 1.00 0.00 H new ATOM 0 HB3 ASN B 51 41.408 -15.355 -0.254 1.00 0.00 H new ATOM 0 HD21 ASN B 51 43.290 -14.569 -3.158 1.00 0.00 H new ATOM 0 HD22 ASN B 51 41.864 -15.381 -2.505 1.00 0.00 H new ATOM 1402 N TRP B 52 38.536 -13.879 -1.344 1.00 0.00 N ATOM 1403 CA TRP B 52 37.595 -13.901 -2.468 1.00 0.00 C ATOM 1404 C TRP B 52 36.158 -13.538 -2.049 1.00 0.00 C ATOM 1405 O TRP B 52 35.372 -13.070 -2.872 1.00 0.00 O ATOM 1406 CB TRP B 52 37.670 -15.281 -3.139 1.00 0.00 C ATOM 1407 CG TRP B 52 36.999 -15.364 -4.473 1.00 0.00 C ATOM 1408 CD1 TRP B 52 35.759 -15.842 -4.685 1.00 0.00 C ATOM 1409 CD2 TRP B 52 37.486 -14.929 -5.774 1.00 0.00 C ATOM 1410 NE1 TRP B 52 35.434 -15.723 -6.023 1.00 0.00 N ATOM 1411 CE2 TRP B 52 36.471 -15.165 -6.746 1.00 0.00 C ATOM 1412 CE3 TRP B 52 38.696 -14.359 -6.226 1.00 0.00 C ATOM 1413 CZ2 TRP B 52 36.641 -14.842 -8.101 1.00 0.00 C ATOM 1414 CZ3 TRP B 52 38.881 -14.042 -7.582 1.00 0.00 C ATOM 1415 CH2 TRP B 52 37.858 -14.277 -8.515 1.00 0.00 C ATOM 0 H TRP B 52 38.151 -14.301 -0.499 1.00 0.00 H new ATOM 0 HA TRP B 52 37.883 -13.131 -3.184 1.00 0.00 H new ATOM 0 HB2 TRP B 52 38.718 -15.556 -3.257 1.00 0.00 H new ATOM 0 HB3 TRP B 52 37.220 -16.018 -2.474 1.00 0.00 H new ATOM 0 HD1 TRP B 52 35.115 -16.256 -3.924 1.00 0.00 H new ATOM 0 HE1 TRP B 52 34.542 -16.011 -6.426 1.00 0.00 H new ATOM 0 HE3 TRP B 52 39.490 -14.164 -5.520 1.00 0.00 H new ATOM 0 HZ2 TRP B 52 35.850 -15.025 -8.813 1.00 0.00 H new ATOM 0 HZ3 TRP B 52 39.817 -13.614 -7.909 1.00 0.00 H new ATOM 0 HH2 TRP B 52 38.008 -14.022 -9.554 1.00 0.00 H new ATOM 1426 N ASP B 53 35.834 -13.686 -0.761 1.00 0.00 N ATOM 1427 CA ASP B 53 34.538 -13.399 -0.157 1.00 0.00 C ATOM 1428 C ASP B 53 34.502 -12.012 0.506 1.00 0.00 C ATOM 1429 O ASP B 53 35.508 -11.328 0.630 1.00 0.00 O ATOM 1430 CB ASP B 53 34.232 -14.579 0.783 1.00 0.00 C ATOM 1431 CG ASP B 53 32.809 -14.621 1.354 1.00 0.00 C ATOM 1432 OD1 ASP B 53 31.936 -13.908 0.793 1.00 0.00 O ATOM 1433 OD2 ASP B 53 32.560 -15.396 2.288 1.00 0.00 O ATOM 0 H ASP B 53 36.509 -14.028 -0.078 1.00 0.00 H new ATOM 0 HA ASP B 53 33.746 -13.326 -0.903 1.00 0.00 H new ATOM 0 HB2 ASP B 53 34.415 -15.508 0.242 1.00 0.00 H new ATOM 0 HB3 ASP B 53 34.937 -14.550 1.614 1.00 0.00 H new ATOM 1438 N ASP B 54 33.316 -11.550 0.881 1.00 0.00 N ATOM 1439 CA ASP B 54 33.120 -10.308 1.622 1.00 0.00 C ATOM 1440 C ASP B 54 33.733 -10.419 3.025 1.00 0.00 C ATOM 1441 O ASP B 54 33.380 -11.305 3.798 1.00 0.00 O ATOM 1442 CB ASP B 54 31.630 -9.986 1.666 1.00 0.00 C ATOM 1443 CG ASP B 54 31.075 -9.826 0.246 1.00 0.00 C ATOM 1444 OD1 ASP B 54 31.424 -8.811 -0.398 1.00 0.00 O ATOM 1445 OD2 ASP B 54 30.367 -10.760 -0.198 1.00 0.00 O ATOM 0 H ASP B 54 32.444 -12.038 0.675 1.00 0.00 H new ATOM 0 HA ASP B 54 33.631 -9.487 1.120 1.00 0.00 H new ATOM 0 HB2 ASP B 54 31.095 -10.781 2.185 1.00 0.00 H new ATOM 0 HB3 ASP B 54 31.466 -9.069 2.233 1.00 0.00 H new ATOM 1450 N ASP B 55 34.702 -9.546 3.318 1.00 0.00 N ATOM 1451 CA ASP B 55 35.508 -9.578 4.538 1.00 0.00 C ATOM 1452 C ASP B 55 34.676 -9.328 5.801 1.00 0.00 C ATOM 1453 O ASP B 55 34.039 -8.286 5.936 1.00 0.00 O ATOM 1454 CB ASP B 55 36.645 -8.557 4.411 1.00 0.00 C ATOM 1455 CG ASP B 55 37.703 -8.745 5.496 1.00 0.00 C ATOM 1456 OD1 ASP B 55 38.140 -9.903 5.681 1.00 0.00 O ATOM 1457 OD2 ASP B 55 38.115 -7.729 6.091 1.00 0.00 O ATOM 0 H ASP B 55 34.952 -8.778 2.695 1.00 0.00 H new ATOM 0 HA ASP B 55 35.923 -10.580 4.648 1.00 0.00 H new ATOM 0 HB2 ASP B 55 37.110 -8.652 3.430 1.00 0.00 H new ATOM 0 HB3 ASP B 55 36.236 -7.549 4.474 1.00 0.00 H new TER 1462 ASP B 55