USER MOD reduce.3.24.130724 H: found=0, std=0, add=941, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 934 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 60 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 61 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 51 ASN :FLIP amide:sc= 0.899 F(o=-5!,f=0.33) USER MOD Set 2.2: A 52 HIS :FLIP no HD1:sc= -0.573 F(o=-3.2,f=0.33) USER MOD Set 3.1: A 25 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 36 HIS :FLIP no HD1:sc= -10.4! C(o=-12!,f=-10!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.0233 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= -3.26! C(o=-3.3!,f=-4!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0914) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= -2.88! USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.0435 X(o=-0.044,f=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 161:sc=-0.00555 (180deg=-0.148) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= -0.615 X(o=-0.61,f=-0.32) USER MOD Single : A 45 CYS SG : rot -56:sc= 0.216 USER MOD Single : A 50 HIS : no HD1:sc= -0.0176 X(o=-0.018,f=0) USER MOD Single : A 54 ASN : amide:sc= -0.134 X(o=-0.13,f=-0.013) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot -48:sc= -4.62! USER MOD Single : A 74 HIS : no HD1:sc= -14.8! C(o=-15!,f=-16!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -0.591 K(o=-0.59,f=-1.8!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= -0.699 USER MOD Single : A 94 ASN : amide:sc= -0.0492 K(o=-0.049,f=-0.71) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 ASN : amide:sc=-0.00783 X(o=-0.0078,f=-0.0057) USER MOD Single : A 99 HIS : no HD1:sc= -15.4! C(o=-15!,f=-15!) USER MOD Single : A 101 ASN : amide:sc= -3.63! C(o=-3.6!,f=-6.1!) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -4.612 -38.634 -3.276 1.00 0.00 N ATOM 2 CA GLY A 1 -5.880 -38.670 -3.986 1.00 0.00 C ATOM 3 C GLY A 1 -6.373 -37.256 -4.298 1.00 0.00 C ATOM 4 O GLY A 1 -7.277 -36.750 -3.635 1.00 0.00 O ATOM 0 H1 GLY A 1 -4.299 -39.605 -3.076 1.00 0.00 H new ATOM 0 H2 GLY A 1 -3.899 -38.154 -3.862 1.00 0.00 H new ATOM 0 H3 GLY A 1 -4.730 -38.117 -2.381 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -5.766 -39.232 -4.913 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -6.623 -39.194 -3.385 1.00 0.00 H new ATOM 8 N ILE A 2 -5.758 -36.658 -5.308 1.00 0.00 N ATOM 9 CA ILE A 2 -6.124 -35.313 -5.716 1.00 0.00 C ATOM 10 C ILE A 2 -7.451 -35.358 -6.475 1.00 0.00 C ATOM 11 O ILE A 2 -7.846 -36.407 -6.982 1.00 0.00 O ATOM 12 CB ILE A 2 -4.985 -34.664 -6.506 1.00 0.00 C ATOM 13 CG1 ILE A 2 -4.422 -35.631 -7.549 1.00 0.00 C ATOM 14 CG2 ILE A 2 -3.898 -34.136 -5.568 1.00 0.00 C ATOM 15 CD1 ILE A 2 -3.941 -34.878 -8.791 1.00 0.00 C ATOM 0 H ILE A 2 -5.009 -37.081 -5.856 1.00 0.00 H new ATOM 0 HA ILE A 2 -6.277 -34.679 -4.843 1.00 0.00 H new ATOM 0 HB ILE A 2 -5.388 -33.807 -7.045 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -3.595 -36.195 -7.118 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -5.188 -36.354 -7.831 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -3.101 -33.680 -6.155 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -4.326 -33.391 -4.897 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -3.491 -34.960 -4.982 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -3.545 -35.589 -9.517 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -4.776 -34.335 -9.233 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -3.158 -34.174 -8.509 1.00 0.00 H new ATOM 27 N PRO A 3 -8.122 -34.176 -6.531 1.00 0.00 N ATOM 28 CA PRO A 3 -9.397 -34.070 -7.220 1.00 0.00 C ATOM 29 C PRO A 3 -9.202 -34.072 -8.738 1.00 0.00 C ATOM 30 O PRO A 3 -8.153 -34.484 -9.232 1.00 0.00 O ATOM 31 CB PRO A 3 -10.018 -32.784 -6.703 1.00 0.00 C ATOM 32 CG PRO A 3 -8.876 -31.982 -6.100 1.00 0.00 C ATOM 33 CD PRO A 3 -7.685 -32.913 -5.943 1.00 0.00 C ATOM 0 HA PRO A 3 -10.052 -34.919 -7.025 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -10.500 -32.231 -7.509 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -10.785 -32.993 -5.957 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -8.620 -31.140 -6.743 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -9.168 -31.569 -5.134 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -6.806 -32.521 -6.455 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -7.415 -33.037 -4.894 1.00 0.00 H new ATOM 41 N ASP A 4 -10.228 -33.606 -9.435 1.00 0.00 N ATOM 42 CA ASP A 4 -10.182 -33.548 -10.886 1.00 0.00 C ATOM 43 C ASP A 4 -9.087 -32.572 -11.319 1.00 0.00 C ATOM 44 O ASP A 4 -8.345 -32.056 -10.485 1.00 0.00 O ATOM 45 CB ASP A 4 -11.512 -33.053 -11.459 1.00 0.00 C ATOM 46 CG ASP A 4 -11.821 -33.530 -12.880 1.00 0.00 C ATOM 47 OD1 ASP A 4 -12.285 -34.684 -13.003 1.00 0.00 O ATOM 48 OD2 ASP A 4 -11.586 -32.729 -13.811 1.00 0.00 O ATOM 0 H ASP A 4 -11.096 -33.265 -9.022 1.00 0.00 H new ATOM 0 HA ASP A 4 -9.981 -34.553 -11.258 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -12.317 -33.377 -10.800 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -11.511 -31.963 -11.450 1.00 0.00 H new ATOM 53 N LEU A 5 -9.022 -32.347 -12.623 1.00 0.00 N ATOM 54 CA LEU A 5 -8.030 -31.441 -13.178 1.00 0.00 C ATOM 55 C LEU A 5 -6.648 -32.093 -13.095 1.00 0.00 C ATOM 56 O LEU A 5 -5.629 -31.407 -13.168 1.00 0.00 O ATOM 57 CB LEU A 5 -8.108 -30.076 -12.491 1.00 0.00 C ATOM 58 CG LEU A 5 -9.458 -29.714 -11.869 1.00 0.00 C ATOM 59 CD1 LEU A 5 -9.327 -29.502 -10.359 1.00 0.00 C ATOM 60 CD2 LEU A 5 -10.076 -28.501 -12.566 1.00 0.00 C ATOM 0 H LEU A 5 -9.640 -32.776 -13.312 1.00 0.00 H new ATOM 0 HA LEU A 5 -8.232 -31.254 -14.233 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -7.349 -30.041 -11.709 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -7.849 -29.309 -13.221 1.00 0.00 H new ATOM 0 HG LEU A 5 -10.138 -30.552 -12.019 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -10.301 -29.246 -9.942 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -8.962 -30.418 -9.893 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -8.625 -28.691 -10.165 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -11.035 -28.265 -12.104 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -9.407 -27.646 -12.470 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -10.227 -28.726 -13.622 1.00 0.00 H new ATOM 72 N VAL A 6 -6.658 -33.409 -12.945 1.00 0.00 N ATOM 73 CA VAL A 6 -5.418 -34.161 -12.853 1.00 0.00 C ATOM 74 C VAL A 6 -4.784 -34.264 -14.241 1.00 0.00 C ATOM 75 O VAL A 6 -3.563 -34.337 -14.366 1.00 0.00 O ATOM 76 CB VAL A 6 -5.680 -35.525 -12.212 1.00 0.00 C ATOM 77 CG1 VAL A 6 -4.389 -36.339 -12.109 1.00 0.00 C ATOM 78 CG2 VAL A 6 -6.341 -35.369 -10.841 1.00 0.00 C ATOM 0 H VAL A 6 -7.505 -33.974 -12.885 1.00 0.00 H new ATOM 0 HA VAL A 6 -4.706 -33.646 -12.209 1.00 0.00 H new ATOM 0 HB VAL A 6 -6.370 -36.071 -12.856 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -4.603 -37.304 -11.650 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -3.977 -36.495 -13.106 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -3.666 -35.799 -11.498 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -6.516 -36.354 -10.407 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -5.687 -34.795 -10.185 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -7.292 -34.847 -10.953 1.00 0.00 H new ATOM 88 N LYS A 7 -5.643 -34.267 -15.250 1.00 0.00 N ATOM 89 CA LYS A 7 -5.183 -34.361 -16.625 1.00 0.00 C ATOM 90 C LYS A 7 -4.703 -32.985 -17.092 1.00 0.00 C ATOM 91 O LYS A 7 -4.565 -32.746 -18.291 1.00 0.00 O ATOM 92 CB LYS A 7 -6.270 -34.967 -17.514 1.00 0.00 C ATOM 93 CG LYS A 7 -6.095 -36.483 -17.637 1.00 0.00 C ATOM 94 CD LYS A 7 -6.444 -37.183 -16.322 1.00 0.00 C ATOM 95 CE LYS A 7 -7.829 -37.828 -16.394 1.00 0.00 C ATOM 96 NZ LYS A 7 -8.090 -38.633 -15.180 1.00 0.00 N ATOM 0 H LYS A 7 -6.655 -34.206 -15.142 1.00 0.00 H new ATOM 0 HA LYS A 7 -4.332 -35.038 -16.696 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -7.252 -34.743 -17.098 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -6.232 -34.511 -18.503 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -6.732 -36.863 -18.436 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -5.066 -36.713 -17.914 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -5.696 -37.944 -16.102 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -6.417 -36.463 -15.504 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -8.591 -37.056 -16.496 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -7.896 -38.461 -17.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -9.034 -39.064 -15.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -7.373 -39.382 -15.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -8.047 -38.020 -14.341 1.00 0.00 H new ATOM 110 N GLY A 8 -4.462 -32.116 -16.121 1.00 0.00 N ATOM 111 CA GLY A 8 -4.001 -30.771 -16.418 1.00 0.00 C ATOM 112 C GLY A 8 -4.038 -29.890 -15.167 1.00 0.00 C ATOM 113 O GLY A 8 -4.806 -28.931 -15.101 1.00 0.00 O ATOM 0 H GLY A 8 -4.577 -32.318 -15.128 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -2.985 -30.809 -16.810 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -4.626 -30.332 -17.195 1.00 0.00 H new ATOM 117 N PRO A 9 -3.177 -30.257 -14.180 1.00 0.00 N ATOM 118 CA PRO A 9 -3.105 -29.511 -12.935 1.00 0.00 C ATOM 119 C PRO A 9 -2.368 -28.184 -13.133 1.00 0.00 C ATOM 120 O PRO A 9 -1.491 -28.079 -13.988 1.00 0.00 O ATOM 121 CB PRO A 9 -2.402 -30.441 -11.960 1.00 0.00 C ATOM 122 CG PRO A 9 -1.696 -31.482 -12.812 1.00 0.00 C ATOM 123 CD PRO A 9 -2.254 -31.386 -14.223 1.00 0.00 C ATOM 0 HA PRO A 9 -4.087 -29.227 -12.557 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -1.690 -29.893 -11.343 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -3.116 -30.910 -11.283 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -0.620 -31.307 -12.814 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -1.856 -32.481 -12.405 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -1.461 -31.221 -14.952 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -2.765 -32.305 -14.510 1.00 0.00 H new ATOM 131 N TRP A 10 -2.753 -27.205 -12.327 1.00 0.00 N ATOM 132 CA TRP A 10 -2.140 -25.890 -12.403 1.00 0.00 C ATOM 133 C TRP A 10 -0.728 -25.992 -11.823 1.00 0.00 C ATOM 134 O TRP A 10 -0.437 -26.898 -11.044 1.00 0.00 O ATOM 135 CB TRP A 10 -3.002 -24.842 -11.697 1.00 0.00 C ATOM 136 CG TRP A 10 -4.353 -24.591 -12.369 1.00 0.00 C ATOM 137 CD1 TRP A 10 -5.240 -25.498 -12.802 1.00 0.00 C ATOM 138 CD2 TRP A 10 -4.940 -23.307 -12.669 1.00 0.00 C ATOM 139 NE1 TRP A 10 -6.350 -24.895 -13.358 1.00 0.00 N ATOM 140 CE2 TRP A 10 -6.162 -23.520 -13.274 1.00 0.00 C ATOM 141 CE3 TRP A 10 -4.454 -22.009 -12.437 1.00 0.00 C ATOM 142 CZ2 TRP A 10 -6.999 -22.481 -13.696 1.00 0.00 C ATOM 143 CZ3 TRP A 10 -5.303 -20.981 -12.865 1.00 0.00 C ATOM 144 CH2 TRP A 10 -6.536 -21.179 -13.475 1.00 0.00 C ATOM 0 H TRP A 10 -3.481 -27.296 -11.619 1.00 0.00 H new ATOM 0 HA TRP A 10 -2.068 -25.558 -13.439 1.00 0.00 H new ATOM 0 HB2 TRP A 10 -3.173 -25.160 -10.669 1.00 0.00 H new ATOM 0 HB3 TRP A 10 -2.450 -23.903 -11.652 1.00 0.00 H new ATOM 0 HD1 TRP A 10 -5.103 -26.567 -12.725 1.00 0.00 H new ATOM 0 HE1 TRP A 10 -7.159 -25.371 -13.757 1.00 0.00 H new ATOM 0 HE3 TRP A 10 -3.501 -21.819 -11.966 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 -7.952 -22.674 -14.167 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 -4.977 -19.963 -12.710 1.00 0.00 H new ATOM 0 HH2 TRP A 10 -7.134 -20.332 -13.777 1.00 0.00 H new ATOM 155 N THR A 11 0.112 -25.050 -12.225 1.00 0.00 N ATOM 156 CA THR A 11 1.487 -25.023 -11.755 1.00 0.00 C ATOM 157 C THR A 11 2.031 -23.593 -11.780 1.00 0.00 C ATOM 158 O THR A 11 1.362 -22.679 -12.258 1.00 0.00 O ATOM 159 CB THR A 11 2.299 -25.997 -12.611 1.00 0.00 C ATOM 160 OG1 THR A 11 2.582 -25.263 -13.798 1.00 0.00 O ATOM 161 CG2 THR A 11 1.465 -27.184 -13.097 1.00 0.00 C ATOM 0 H THR A 11 -0.133 -24.300 -12.871 1.00 0.00 H new ATOM 0 HA THR A 11 1.556 -25.346 -10.716 1.00 0.00 H new ATOM 0 HB THR A 11 3.150 -26.362 -12.037 1.00 0.00 H new ATOM 0 HG1 THR A 11 3.108 -25.820 -14.409 1.00 0.00 H new ATOM 0 HG21 THR A 11 2.089 -27.844 -13.700 1.00 0.00 H new ATOM 0 HG22 THR A 11 1.079 -27.733 -12.238 1.00 0.00 H new ATOM 0 HG23 THR A 11 0.632 -26.821 -13.700 1.00 0.00 H new ATOM 169 N LYS A 12 3.240 -23.445 -11.258 1.00 0.00 N ATOM 170 CA LYS A 12 3.881 -22.142 -11.215 1.00 0.00 C ATOM 171 C LYS A 12 3.782 -21.483 -12.592 1.00 0.00 C ATOM 172 O LYS A 12 3.711 -20.260 -12.695 1.00 0.00 O ATOM 173 CB LYS A 12 5.315 -22.268 -10.695 1.00 0.00 C ATOM 174 CG LYS A 12 5.828 -20.925 -10.170 1.00 0.00 C ATOM 175 CD LYS A 12 7.161 -21.095 -9.439 1.00 0.00 C ATOM 176 CE LYS A 12 6.939 -21.390 -7.954 1.00 0.00 C ATOM 177 NZ LYS A 12 7.597 -22.660 -7.574 1.00 0.00 N ATOM 0 H LYS A 12 3.792 -24.206 -10.862 1.00 0.00 H new ATOM 0 HA LYS A 12 3.367 -21.488 -10.511 1.00 0.00 H new ATOM 0 HB2 LYS A 12 5.353 -23.012 -9.899 1.00 0.00 H new ATOM 0 HB3 LYS A 12 5.966 -22.623 -11.494 1.00 0.00 H new ATOM 0 HG2 LYS A 12 5.950 -20.229 -11.000 1.00 0.00 H new ATOM 0 HG3 LYS A 12 5.092 -20.489 -9.495 1.00 0.00 H new ATOM 0 HD2 LYS A 12 7.728 -21.907 -9.894 1.00 0.00 H new ATOM 0 HD3 LYS A 12 7.758 -20.189 -9.548 1.00 0.00 H new ATOM 0 HE2 LYS A 12 7.336 -20.573 -7.352 1.00 0.00 H new ATOM 0 HE3 LYS A 12 5.871 -21.450 -7.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 7.437 -22.845 -6.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 7.199 -23.439 -8.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 8.619 -22.589 -7.755 1.00 0.00 H new ATOM 191 N GLU A 13 3.781 -22.324 -13.616 1.00 0.00 N ATOM 192 CA GLU A 13 3.691 -21.839 -14.983 1.00 0.00 C ATOM 193 C GLU A 13 2.354 -21.130 -15.208 1.00 0.00 C ATOM 194 O GLU A 13 2.187 -20.410 -16.191 1.00 0.00 O ATOM 195 CB GLU A 13 3.882 -22.980 -15.984 1.00 0.00 C ATOM 196 CG GLU A 13 4.784 -22.548 -17.142 1.00 0.00 C ATOM 197 CD GLU A 13 4.031 -22.605 -18.473 1.00 0.00 C ATOM 198 OE1 GLU A 13 3.262 -21.654 -18.731 1.00 0.00 O ATOM 199 OE2 GLU A 13 4.241 -23.599 -19.202 1.00 0.00 O ATOM 0 H GLU A 13 3.841 -23.338 -13.526 1.00 0.00 H new ATOM 0 HA GLU A 13 4.493 -21.119 -15.146 1.00 0.00 H new ATOM 0 HB2 GLU A 13 4.319 -23.842 -15.480 1.00 0.00 H new ATOM 0 HB3 GLU A 13 2.913 -23.295 -16.371 1.00 0.00 H new ATOM 0 HG2 GLU A 13 5.146 -21.535 -16.968 1.00 0.00 H new ATOM 0 HG3 GLU A 13 5.660 -23.196 -17.187 1.00 0.00 H new ATOM 206 N GLU A 14 1.436 -21.359 -14.281 1.00 0.00 N ATOM 207 CA GLU A 14 0.119 -20.752 -14.366 1.00 0.00 C ATOM 208 C GLU A 14 0.117 -19.389 -13.671 1.00 0.00 C ATOM 209 O GLU A 14 -0.447 -18.425 -14.187 1.00 0.00 O ATOM 210 CB GLU A 14 -0.949 -21.672 -13.771 1.00 0.00 C ATOM 211 CG GLU A 14 -1.158 -21.380 -12.284 1.00 0.00 C ATOM 212 CD GLU A 14 -1.966 -20.096 -12.085 1.00 0.00 C ATOM 213 OE1 GLU A 14 -2.476 -19.583 -13.105 1.00 0.00 O ATOM 214 OE2 GLU A 14 -2.057 -19.657 -10.918 1.00 0.00 O ATOM 0 H GLU A 14 1.578 -21.957 -13.467 1.00 0.00 H new ATOM 0 HA GLU A 14 -0.123 -20.602 -15.418 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -1.889 -21.538 -14.307 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -0.652 -22.712 -13.903 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -1.676 -22.216 -11.815 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -0.191 -21.286 -11.789 1.00 0.00 H new ATOM 221 N ASP A 15 0.755 -19.351 -12.510 1.00 0.00 N ATOM 222 CA ASP A 15 0.834 -18.123 -11.739 1.00 0.00 C ATOM 223 C ASP A 15 1.820 -17.166 -12.411 1.00 0.00 C ATOM 224 O ASP A 15 1.799 -15.964 -12.152 1.00 0.00 O ATOM 225 CB ASP A 15 1.333 -18.395 -10.318 1.00 0.00 C ATOM 226 CG ASP A 15 0.235 -18.630 -9.280 1.00 0.00 C ATOM 227 OD1 ASP A 15 -0.314 -17.618 -8.794 1.00 0.00 O ATOM 228 OD2 ASP A 15 -0.032 -19.818 -8.996 1.00 0.00 O ATOM 0 H ASP A 15 1.222 -20.152 -12.085 1.00 0.00 H new ATOM 0 HA ASP A 15 -0.165 -17.689 -11.693 1.00 0.00 H new ATOM 0 HB2 ASP A 15 1.985 -19.268 -10.339 1.00 0.00 H new ATOM 0 HB3 ASP A 15 1.942 -17.551 -9.995 1.00 0.00 H new ATOM 233 N GLN A 16 2.660 -17.735 -13.263 1.00 0.00 N ATOM 234 CA GLN A 16 3.652 -16.948 -13.975 1.00 0.00 C ATOM 235 C GLN A 16 3.046 -16.356 -15.249 1.00 0.00 C ATOM 236 O GLN A 16 3.284 -15.194 -15.572 1.00 0.00 O ATOM 237 CB GLN A 16 4.891 -17.787 -14.296 1.00 0.00 C ATOM 238 CG GLN A 16 4.676 -18.620 -15.561 1.00 0.00 C ATOM 239 CD GLN A 16 5.952 -19.373 -15.945 1.00 0.00 C ATOM 240 OE1 GLN A 16 6.477 -20.179 -15.195 1.00 0.00 O ATOM 241 NE2 GLN A 16 6.419 -19.066 -17.152 1.00 0.00 N ATOM 0 H GLN A 16 2.674 -18.732 -13.476 1.00 0.00 H new ATOM 0 HA GLN A 16 3.966 -16.127 -13.330 1.00 0.00 H new ATOM 0 HB2 GLN A 16 5.753 -17.133 -14.429 1.00 0.00 H new ATOM 0 HB3 GLN A 16 5.116 -18.445 -13.457 1.00 0.00 H new ATOM 0 HG2 GLN A 16 3.865 -19.330 -15.400 1.00 0.00 H new ATOM 0 HG3 GLN A 16 4.372 -17.970 -16.382 1.00 0.00 H new ATOM 0 HE21 GLN A 16 5.930 -18.382 -17.729 1.00 0.00 H new ATOM 0 HE22 GLN A 16 7.266 -19.515 -17.500 1.00 0.00 H new ATOM 250 N LYS A 17 2.274 -17.184 -15.938 1.00 0.00 N ATOM 251 CA LYS A 17 1.631 -16.757 -17.170 1.00 0.00 C ATOM 252 C LYS A 17 0.493 -15.790 -16.838 1.00 0.00 C ATOM 253 O LYS A 17 0.421 -14.696 -17.395 1.00 0.00 O ATOM 254 CB LYS A 17 1.188 -17.970 -17.991 1.00 0.00 C ATOM 255 CG LYS A 17 0.514 -17.533 -19.293 1.00 0.00 C ATOM 256 CD LYS A 17 -0.634 -18.477 -19.660 1.00 0.00 C ATOM 257 CE LYS A 17 -0.153 -19.586 -20.598 1.00 0.00 C ATOM 258 NZ LYS A 17 -0.563 -19.300 -21.991 1.00 0.00 N ATOM 0 H LYS A 17 2.079 -18.148 -15.667 1.00 0.00 H new ATOM 0 HA LYS A 17 2.336 -16.215 -17.800 1.00 0.00 H new ATOM 0 HB2 LYS A 17 2.051 -18.596 -18.216 1.00 0.00 H new ATOM 0 HB3 LYS A 17 0.498 -18.577 -17.406 1.00 0.00 H new ATOM 0 HG2 LYS A 17 0.134 -16.517 -19.187 1.00 0.00 H new ATOM 0 HG3 LYS A 17 1.248 -17.516 -20.099 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -1.051 -18.917 -18.754 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -1.435 -17.913 -20.138 1.00 0.00 H new ATOM 0 HE2 LYS A 17 0.932 -19.672 -20.542 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -0.566 -20.544 -20.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -0.229 -20.062 -22.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -1.600 -19.240 -22.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -0.149 -18.396 -22.296 1.00 0.00 H new ATOM 272 N VAL A 18 -0.368 -16.229 -15.931 1.00 0.00 N ATOM 273 CA VAL A 18 -1.499 -15.415 -15.518 1.00 0.00 C ATOM 274 C VAL A 18 -0.992 -14.062 -15.017 1.00 0.00 C ATOM 275 O VAL A 18 -1.597 -13.027 -15.294 1.00 0.00 O ATOM 276 CB VAL A 18 -2.331 -16.166 -14.476 1.00 0.00 C ATOM 277 CG1 VAL A 18 -3.121 -15.192 -13.600 1.00 0.00 C ATOM 278 CG2 VAL A 18 -3.260 -17.181 -15.144 1.00 0.00 C ATOM 0 H VAL A 18 -0.305 -17.137 -15.471 1.00 0.00 H new ATOM 0 HA VAL A 18 -2.159 -15.221 -16.363 1.00 0.00 H new ATOM 0 HB VAL A 18 -1.645 -16.715 -13.831 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -3.704 -15.751 -12.868 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -2.431 -14.526 -13.082 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.793 -14.603 -14.225 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.840 -17.701 -14.381 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -3.937 -16.663 -15.824 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.667 -17.904 -15.704 1.00 0.00 H new ATOM 288 N ILE A 19 0.113 -14.113 -14.287 1.00 0.00 N ATOM 289 CA ILE A 19 0.708 -12.904 -13.744 1.00 0.00 C ATOM 290 C ILE A 19 1.115 -11.980 -14.894 1.00 0.00 C ATOM 291 O ILE A 19 0.735 -10.811 -14.921 1.00 0.00 O ATOM 292 CB ILE A 19 1.858 -13.251 -12.798 1.00 0.00 C ATOM 293 CG1 ILE A 19 1.338 -13.559 -11.392 1.00 0.00 C ATOM 294 CG2 ILE A 19 2.914 -12.144 -12.788 1.00 0.00 C ATOM 295 CD1 ILE A 19 -0.042 -14.217 -11.450 1.00 0.00 C ATOM 0 H ILE A 19 0.612 -14.973 -14.059 1.00 0.00 H new ATOM 0 HA ILE A 19 -0.018 -12.361 -13.140 1.00 0.00 H new ATOM 0 HB ILE A 19 2.342 -14.155 -13.168 1.00 0.00 H new ATOM 0 HG12 ILE A 19 2.038 -14.218 -10.878 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.282 -12.638 -10.811 1.00 0.00 H new ATOM 0 HG21 ILE A 19 3.720 -12.416 -12.107 1.00 0.00 H new ATOM 0 HG22 ILE A 19 3.316 -12.015 -13.793 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.459 -11.210 -12.457 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.389 -14.425 -10.438 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.745 -13.545 -11.943 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.023 -15.150 -12.011 1.00 0.00 H new ATOM 307 N GLU A 20 1.884 -12.541 -15.817 1.00 0.00 N ATOM 308 CA GLU A 20 2.347 -11.782 -16.967 1.00 0.00 C ATOM 309 C GLU A 20 1.157 -11.198 -17.732 1.00 0.00 C ATOM 310 O GLU A 20 1.320 -10.276 -18.529 1.00 0.00 O ATOM 311 CB GLU A 20 3.215 -12.648 -17.881 1.00 0.00 C ATOM 312 CG GLU A 20 4.389 -11.845 -18.445 1.00 0.00 C ATOM 313 CD GLU A 20 4.428 -11.929 -19.972 1.00 0.00 C ATOM 314 OE1 GLU A 20 3.341 -11.800 -20.575 1.00 0.00 O ATOM 315 OE2 GLU A 20 5.544 -12.120 -20.501 1.00 0.00 O ATOM 0 H GLU A 20 2.198 -13.511 -15.792 1.00 0.00 H new ATOM 0 HA GLU A 20 2.964 -10.957 -16.610 1.00 0.00 H new ATOM 0 HB2 GLU A 20 3.591 -13.507 -17.325 1.00 0.00 H new ATOM 0 HB3 GLU A 20 2.610 -13.039 -18.700 1.00 0.00 H new ATOM 0 HG2 GLU A 20 4.303 -10.803 -18.137 1.00 0.00 H new ATOM 0 HG3 GLU A 20 5.324 -12.223 -18.032 1.00 0.00 H new ATOM 322 N LEU A 21 -0.012 -11.760 -17.462 1.00 0.00 N ATOM 323 CA LEU A 21 -1.229 -11.306 -18.114 1.00 0.00 C ATOM 324 C LEU A 21 -1.871 -10.200 -17.275 1.00 0.00 C ATOM 325 O LEU A 21 -2.237 -9.150 -17.801 1.00 0.00 O ATOM 326 CB LEU A 21 -2.160 -12.488 -18.391 1.00 0.00 C ATOM 327 CG LEU A 21 -1.864 -13.294 -19.657 1.00 0.00 C ATOM 328 CD1 LEU A 21 -2.014 -14.795 -19.400 1.00 0.00 C ATOM 329 CD2 LEU A 21 -2.734 -12.823 -20.824 1.00 0.00 C ATOM 0 H LEU A 21 -0.142 -12.526 -16.801 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.001 -10.874 -19.088 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.120 -13.164 -17.537 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -3.182 -12.113 -18.454 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.826 -13.118 -19.938 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.798 -15.344 -20.316 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.317 -15.102 -18.620 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.034 -15.009 -19.080 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -2.503 -13.413 -21.711 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.786 -12.949 -20.568 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.534 -11.771 -21.026 1.00 0.00 H new ATOM 341 N VAL A 22 -1.988 -10.473 -15.984 1.00 0.00 N ATOM 342 CA VAL A 22 -2.580 -9.514 -15.067 1.00 0.00 C ATOM 343 C VAL A 22 -1.918 -8.149 -15.266 1.00 0.00 C ATOM 344 O VAL A 22 -2.507 -7.117 -14.949 1.00 0.00 O ATOM 345 CB VAL A 22 -2.470 -10.028 -13.630 1.00 0.00 C ATOM 346 CG1 VAL A 22 -3.109 -9.045 -12.646 1.00 0.00 C ATOM 347 CG2 VAL A 22 -3.091 -11.420 -13.496 1.00 0.00 C ATOM 0 H VAL A 22 -1.683 -11.345 -15.551 1.00 0.00 H new ATOM 0 HA VAL A 22 -3.643 -9.393 -15.274 1.00 0.00 H new ATOM 0 HB VAL A 22 -1.411 -10.109 -13.383 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -3.017 -9.434 -11.632 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -2.602 -8.082 -12.713 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -4.163 -8.918 -12.892 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.999 -11.762 -12.465 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -4.145 -11.376 -13.771 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -2.572 -12.115 -14.156 1.00 0.00 H new ATOM 357 N LYS A 23 -0.702 -8.188 -15.791 1.00 0.00 N ATOM 358 CA LYS A 23 0.046 -6.967 -16.037 1.00 0.00 C ATOM 359 C LYS A 23 -0.232 -6.481 -17.461 1.00 0.00 C ATOM 360 O LYS A 23 -0.446 -5.290 -17.683 1.00 0.00 O ATOM 361 CB LYS A 23 1.532 -7.179 -15.739 1.00 0.00 C ATOM 362 CG LYS A 23 2.103 -8.320 -16.583 1.00 0.00 C ATOM 363 CD LYS A 23 3.629 -8.362 -16.488 1.00 0.00 C ATOM 364 CE LYS A 23 4.080 -9.052 -15.200 1.00 0.00 C ATOM 365 NZ LYS A 23 5.422 -9.650 -15.374 1.00 0.00 N ATOM 0 H LYS A 23 -0.216 -9.046 -16.053 1.00 0.00 H new ATOM 0 HA LYS A 23 -0.282 -6.178 -15.361 1.00 0.00 H new ATOM 0 HB2 LYS A 23 2.082 -6.260 -15.943 1.00 0.00 H new ATOM 0 HB3 LYS A 23 1.666 -7.402 -14.681 1.00 0.00 H new ATOM 0 HG2 LYS A 23 1.688 -9.270 -16.245 1.00 0.00 H new ATOM 0 HG3 LYS A 23 1.803 -8.193 -17.623 1.00 0.00 H new ATOM 0 HD2 LYS A 23 4.036 -8.891 -17.350 1.00 0.00 H new ATOM 0 HD3 LYS A 23 4.027 -7.348 -16.520 1.00 0.00 H new ATOM 0 HE2 LYS A 23 4.100 -8.331 -14.382 1.00 0.00 H new ATOM 0 HE3 LYS A 23 3.363 -9.826 -14.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 5.792 -9.949 -14.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 5.355 -10.475 -16.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 6.064 -8.947 -15.792 1.00 0.00 H new ATOM 379 N LYS A 24 -0.220 -7.427 -18.388 1.00 0.00 N ATOM 380 CA LYS A 24 -0.468 -7.111 -19.784 1.00 0.00 C ATOM 381 C LYS A 24 -1.940 -6.737 -19.964 1.00 0.00 C ATOM 382 O LYS A 24 -2.332 -6.227 -21.012 1.00 0.00 O ATOM 383 CB LYS A 24 -0.011 -8.261 -20.683 1.00 0.00 C ATOM 384 CG LYS A 24 0.435 -7.742 -22.052 1.00 0.00 C ATOM 385 CD LYS A 24 0.545 -8.886 -23.062 1.00 0.00 C ATOM 386 CE LYS A 24 -0.744 -9.027 -23.873 1.00 0.00 C ATOM 387 NZ LYS A 24 -0.468 -8.868 -25.319 1.00 0.00 N ATOM 0 H LYS A 24 -0.042 -8.414 -18.199 1.00 0.00 H new ATOM 0 HA LYS A 24 0.120 -6.246 -20.089 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.811 -8.795 -20.207 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -0.825 -8.975 -20.808 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -0.277 -7.000 -22.413 1.00 0.00 H new ATOM 0 HG3 LYS A 24 1.398 -7.240 -21.959 1.00 0.00 H new ATOM 0 HD2 LYS A 24 1.383 -8.703 -23.734 1.00 0.00 H new ATOM 0 HD3 LYS A 24 0.754 -9.819 -22.539 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -1.192 -10.003 -23.688 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -1.467 -8.278 -23.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -1.354 -8.967 -25.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -0.061 -7.927 -25.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 0.205 -9.599 -25.626 1.00 0.00 H new ATOM 401 N TYR A 25 -2.717 -7.006 -18.924 1.00 0.00 N ATOM 402 CA TYR A 25 -4.138 -6.704 -18.954 1.00 0.00 C ATOM 403 C TYR A 25 -4.468 -5.526 -18.036 1.00 0.00 C ATOM 404 O TYR A 25 -5.145 -4.584 -18.447 1.00 0.00 O ATOM 405 CB TYR A 25 -4.846 -7.956 -18.432 1.00 0.00 C ATOM 406 CG TYR A 25 -5.060 -9.038 -19.493 1.00 0.00 C ATOM 407 CD1 TYR A 25 -4.076 -9.294 -20.426 1.00 0.00 C ATOM 408 CD2 TYR A 25 -6.238 -9.757 -19.517 1.00 0.00 C ATOM 409 CE1 TYR A 25 -4.278 -10.312 -21.424 1.00 0.00 C ATOM 410 CE2 TYR A 25 -6.440 -10.775 -20.515 1.00 0.00 C ATOM 411 CZ TYR A 25 -5.450 -11.002 -21.419 1.00 0.00 C ATOM 412 OH TYR A 25 -5.640 -11.964 -22.362 1.00 0.00 O ATOM 0 H TYR A 25 -2.389 -7.430 -18.056 1.00 0.00 H new ATOM 0 HA TYR A 25 -4.452 -6.436 -19.963 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -4.263 -8.376 -17.612 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -5.814 -7.669 -18.020 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -3.155 -8.731 -20.408 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -7.008 -9.556 -18.787 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -3.516 -10.523 -22.160 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -7.357 -11.345 -20.545 1.00 0.00 H new ATOM 0 HH TYR A 25 -6.521 -12.375 -22.237 1.00 0.00 H new ATOM 422 N GLY A 26 -3.975 -5.616 -16.810 1.00 0.00 N ATOM 423 CA GLY A 26 -4.209 -4.569 -15.830 1.00 0.00 C ATOM 424 C GLY A 26 -4.929 -5.122 -14.598 1.00 0.00 C ATOM 425 O GLY A 26 -5.195 -4.387 -13.648 1.00 0.00 O ATOM 0 H GLY A 26 -3.414 -6.398 -16.472 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -3.259 -4.126 -15.532 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -4.805 -3.774 -16.278 1.00 0.00 H new ATOM 429 N THR A 27 -5.225 -6.412 -14.654 1.00 0.00 N ATOM 430 CA THR A 27 -5.909 -7.072 -13.556 1.00 0.00 C ATOM 431 C THR A 27 -7.417 -6.831 -13.645 1.00 0.00 C ATOM 432 O THR A 27 -8.114 -6.852 -12.632 1.00 0.00 O ATOM 433 CB THR A 27 -5.291 -6.575 -12.247 1.00 0.00 C ATOM 434 OG1 THR A 27 -3.922 -6.351 -12.573 1.00 0.00 O ATOM 435 CG2 THR A 27 -5.246 -7.661 -11.171 1.00 0.00 C ATOM 0 H THR A 27 -5.003 -7.018 -15.444 1.00 0.00 H new ATOM 0 HA THR A 27 -5.781 -8.153 -13.603 1.00 0.00 H new ATOM 0 HB THR A 27 -5.861 -5.722 -11.877 1.00 0.00 H new ATOM 0 HG1 THR A 27 -3.446 -6.025 -11.781 1.00 0.00 H new ATOM 0 HG21 THR A 27 -4.799 -7.256 -10.263 1.00 0.00 H new ATOM 0 HG22 THR A 27 -6.259 -8.002 -10.955 1.00 0.00 H new ATOM 0 HG23 THR A 27 -4.649 -8.501 -11.526 1.00 0.00 H new ATOM 443 N LYS A 28 -7.877 -6.609 -14.868 1.00 0.00 N ATOM 444 CA LYS A 28 -9.290 -6.364 -15.103 1.00 0.00 C ATOM 445 C LYS A 28 -9.992 -7.693 -15.388 1.00 0.00 C ATOM 446 O LYS A 28 -10.810 -8.150 -14.591 1.00 0.00 O ATOM 447 CB LYS A 28 -9.477 -5.321 -16.206 1.00 0.00 C ATOM 448 CG LYS A 28 -10.859 -4.670 -16.117 1.00 0.00 C ATOM 449 CD LYS A 28 -11.707 -5.014 -17.343 1.00 0.00 C ATOM 450 CE LYS A 28 -11.210 -4.264 -18.581 1.00 0.00 C ATOM 451 NZ LYS A 28 -11.996 -3.027 -18.787 1.00 0.00 N ATOM 0 H LYS A 28 -7.296 -6.594 -15.706 1.00 0.00 H new ATOM 0 HA LYS A 28 -9.756 -5.940 -14.214 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -8.705 -4.556 -16.123 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -9.355 -5.792 -17.181 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -11.366 -5.007 -15.213 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -10.751 -3.588 -16.037 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -11.671 -6.088 -17.525 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -12.749 -4.758 -17.152 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -10.155 -4.016 -18.464 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -11.292 -4.905 -19.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -11.646 -2.530 -19.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -12.998 -3.271 -18.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -11.897 -2.410 -17.956 1.00 0.00 H new ATOM 465 N GLN A 29 -9.647 -8.276 -16.527 1.00 0.00 N ATOM 466 CA GLN A 29 -10.234 -9.543 -16.927 1.00 0.00 C ATOM 467 C GLN A 29 -9.646 -10.686 -16.097 1.00 0.00 C ATOM 468 O GLN A 29 -8.716 -11.361 -16.536 1.00 0.00 O ATOM 469 CB GLN A 29 -10.034 -9.792 -18.423 1.00 0.00 C ATOM 470 CG GLN A 29 -10.952 -8.895 -19.256 1.00 0.00 C ATOM 471 CD GLN A 29 -10.221 -8.353 -20.486 1.00 0.00 C ATOM 472 OE1 GLN A 29 -10.550 -8.659 -21.620 1.00 0.00 O ATOM 473 NE2 GLN A 29 -9.213 -7.534 -20.198 1.00 0.00 N ATOM 0 H GLN A 29 -8.968 -7.894 -17.185 1.00 0.00 H new ATOM 0 HA GLN A 29 -11.307 -9.499 -16.740 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -8.994 -9.603 -18.691 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -10.237 -10.838 -18.651 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -11.830 -9.459 -19.570 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -11.308 -8.065 -18.645 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -8.991 -7.320 -19.226 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -8.662 -7.120 -20.950 1.00 0.00 H new ATOM 482 N TRP A 30 -10.213 -10.869 -14.914 1.00 0.00 N ATOM 483 CA TRP A 30 -9.756 -11.918 -14.019 1.00 0.00 C ATOM 484 C TRP A 30 -10.104 -13.266 -14.654 1.00 0.00 C ATOM 485 O TRP A 30 -9.706 -14.315 -14.150 1.00 0.00 O ATOM 486 CB TRP A 30 -10.352 -11.744 -12.620 1.00 0.00 C ATOM 487 CG TRP A 30 -9.474 -10.931 -11.667 1.00 0.00 C ATOM 488 CD1 TRP A 30 -9.568 -9.628 -11.369 1.00 0.00 C ATOM 489 CD2 TRP A 30 -8.360 -11.423 -10.893 1.00 0.00 C ATOM 490 NE1 TRP A 30 -8.599 -9.245 -10.464 1.00 0.00 N ATOM 491 CE2 TRP A 30 -7.841 -10.372 -10.165 1.00 0.00 C ATOM 492 CE3 TRP A 30 -7.809 -12.714 -10.811 1.00 0.00 C ATOM 493 CZ2 TRP A 30 -6.746 -10.503 -9.303 1.00 0.00 C ATOM 494 CZ3 TRP A 30 -6.714 -12.828 -9.945 1.00 0.00 C ATOM 495 CH2 TRP A 30 -6.180 -11.780 -9.205 1.00 0.00 C ATOM 0 H TRP A 30 -10.985 -10.308 -14.554 1.00 0.00 H new ATOM 0 HA TRP A 30 -8.676 -11.866 -13.883 1.00 0.00 H new ATOM 0 HB2 TRP A 30 -11.323 -11.257 -12.708 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -10.527 -12.728 -12.186 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -10.309 -8.961 -11.785 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -8.464 -8.308 -10.084 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -8.199 -13.551 -11.371 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -6.359 -9.664 -8.744 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -6.252 -13.799 -9.845 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -5.333 -11.950 -8.557 1.00 0.00 H new ATOM 506 N THR A 31 -10.844 -13.193 -15.751 1.00 0.00 N ATOM 507 CA THR A 31 -11.251 -14.394 -16.460 1.00 0.00 C ATOM 508 C THR A 31 -10.056 -15.015 -17.187 1.00 0.00 C ATOM 509 O THR A 31 -9.882 -16.232 -17.176 1.00 0.00 O ATOM 510 CB THR A 31 -12.405 -14.024 -17.394 1.00 0.00 C ATOM 511 OG1 THR A 31 -13.434 -14.951 -17.058 1.00 0.00 O ATOM 512 CG2 THR A 31 -12.093 -14.330 -18.860 1.00 0.00 C ATOM 0 H THR A 31 -11.172 -12.321 -16.166 1.00 0.00 H new ATOM 0 HA THR A 31 -11.605 -15.160 -15.770 1.00 0.00 H new ATOM 0 HB THR A 31 -12.634 -12.964 -17.285 1.00 0.00 H new ATOM 0 HG1 THR A 31 -14.222 -14.782 -17.616 1.00 0.00 H new ATOM 0 HG21 THR A 31 -12.944 -14.049 -19.480 1.00 0.00 H new ATOM 0 HG22 THR A 31 -11.215 -13.764 -19.171 1.00 0.00 H new ATOM 0 HG23 THR A 31 -11.897 -15.396 -18.975 1.00 0.00 H new ATOM 520 N LEU A 32 -9.263 -14.149 -17.801 1.00 0.00 N ATOM 521 CA LEU A 32 -8.090 -14.596 -18.531 1.00 0.00 C ATOM 522 C LEU A 32 -7.251 -15.508 -17.633 1.00 0.00 C ATOM 523 O LEU A 32 -6.504 -16.352 -18.123 1.00 0.00 O ATOM 524 CB LEU A 32 -7.315 -13.399 -19.086 1.00 0.00 C ATOM 525 CG LEU A 32 -6.013 -13.049 -18.363 1.00 0.00 C ATOM 526 CD1 LEU A 32 -6.289 -12.589 -16.930 1.00 0.00 C ATOM 527 CD2 LEU A 32 -5.028 -14.219 -18.410 1.00 0.00 C ATOM 0 H LEU A 32 -9.410 -13.140 -17.808 1.00 0.00 H new ATOM 0 HA LEU A 32 -8.385 -15.186 -19.399 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -7.084 -13.595 -20.133 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.967 -12.526 -19.061 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.546 -12.214 -18.885 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.347 -12.346 -16.438 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.927 -11.706 -16.948 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -6.790 -13.387 -16.382 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -4.111 -13.944 -17.889 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.473 -15.089 -17.927 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.797 -14.459 -19.448 1.00 0.00 H new ATOM 539 N ILE A 33 -7.404 -15.306 -16.332 1.00 0.00 N ATOM 540 CA ILE A 33 -6.671 -16.099 -15.360 1.00 0.00 C ATOM 541 C ILE A 33 -7.241 -17.518 -15.332 1.00 0.00 C ATOM 542 O ILE A 33 -6.491 -18.491 -15.270 1.00 0.00 O ATOM 543 CB ILE A 33 -6.672 -15.409 -13.995 1.00 0.00 C ATOM 544 CG1 ILE A 33 -5.784 -14.163 -14.009 1.00 0.00 C ATOM 545 CG2 ILE A 33 -6.273 -16.385 -12.887 1.00 0.00 C ATOM 546 CD1 ILE A 33 -6.625 -12.891 -14.139 1.00 0.00 C ATOM 0 H ILE A 33 -8.025 -14.604 -15.929 1.00 0.00 H new ATOM 0 HA ILE A 33 -5.623 -16.182 -15.649 1.00 0.00 H new ATOM 0 HB ILE A 33 -7.688 -15.077 -13.781 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -5.195 -14.122 -13.093 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -5.079 -14.224 -14.838 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -6.282 -15.869 -11.927 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -6.981 -17.214 -12.860 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -5.272 -16.769 -13.083 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -5.969 -12.020 -14.146 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -7.194 -12.924 -15.068 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -7.312 -12.821 -13.295 1.00 0.00 H new ATOM 558 N ALA A 34 -8.563 -17.592 -15.380 1.00 0.00 N ATOM 559 CA ALA A 34 -9.242 -18.876 -15.361 1.00 0.00 C ATOM 560 C ALA A 34 -9.749 -19.201 -16.767 1.00 0.00 C ATOM 561 O ALA A 34 -10.692 -19.974 -16.928 1.00 0.00 O ATOM 562 CB ALA A 34 -10.371 -18.842 -14.328 1.00 0.00 C ATOM 0 H ALA A 34 -9.182 -16.783 -15.432 1.00 0.00 H new ATOM 0 HA ALA A 34 -8.554 -19.669 -15.067 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -10.880 -19.806 -14.314 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -9.955 -18.637 -13.341 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -11.082 -18.059 -14.592 1.00 0.00 H new ATOM 568 N LYS A 35 -9.101 -18.594 -17.750 1.00 0.00 N ATOM 569 CA LYS A 35 -9.474 -18.809 -19.138 1.00 0.00 C ATOM 570 C LYS A 35 -8.290 -19.417 -19.892 1.00 0.00 C ATOM 571 O LYS A 35 -8.477 -20.208 -20.815 1.00 0.00 O ATOM 572 CB LYS A 35 -9.998 -17.513 -19.759 1.00 0.00 C ATOM 573 CG LYS A 35 -10.844 -17.803 -21.001 1.00 0.00 C ATOM 574 CD LYS A 35 -10.516 -16.821 -22.128 1.00 0.00 C ATOM 575 CE LYS A 35 -9.515 -17.431 -23.111 1.00 0.00 C ATOM 576 NZ LYS A 35 -10.169 -18.467 -23.942 1.00 0.00 N ATOM 0 H LYS A 35 -8.320 -17.953 -17.613 1.00 0.00 H new ATOM 0 HA LYS A 35 -10.295 -19.522 -19.205 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -10.595 -16.970 -19.026 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -9.160 -16.869 -20.027 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -10.663 -18.823 -21.339 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -11.902 -17.733 -20.749 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -11.430 -16.549 -22.656 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -10.105 -15.903 -21.708 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -9.103 -16.650 -23.750 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -8.680 -17.869 -22.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -9.598 -18.640 -24.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -10.252 -19.348 -23.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -11.117 -18.142 -24.220 1.00 0.00 H new ATOM 590 N HIS A 36 -7.096 -19.025 -19.470 1.00 0.00 N ATOM 591 CA HIS A 36 -5.882 -19.521 -20.094 1.00 0.00 C ATOM 592 C HIS A 36 -5.503 -20.869 -19.478 1.00 0.00 C ATOM 593 O HIS A 36 -4.775 -21.651 -20.088 1.00 0.00 O ATOM 594 CB HIS A 36 -4.758 -18.487 -19.994 1.00 0.00 C ATOM 595 CG HIS A 36 -5.113 -17.137 -20.571 1.00 0.00 C ATOM 596 ND1 HIS A 36 -6.290 -16.447 -20.566 1.00 0.00 N flip ATOM 597 CD2 HIS A 36 -4.200 -16.347 -21.246 1.00 0.00 C flip ATOM 598 CE1 HIS A 36 -6.105 -15.297 -21.202 1.00 0.00 C flip ATOM 599 NE2 HIS A 36 -4.810 -15.233 -21.626 1.00 0.00 N flip ATOM 0 H HIS A 36 -6.944 -18.370 -18.703 1.00 0.00 H new ATOM 0 HA HIS A 36 -6.055 -19.682 -21.158 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -4.485 -18.363 -18.946 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -3.878 -18.871 -20.510 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -3.166 -16.596 -21.432 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -6.856 -14.537 -21.358 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -4.386 -14.464 -22.144 1.00 0.00 H new ATOM 607 N LEU A 37 -6.014 -21.100 -18.278 1.00 0.00 N ATOM 608 CA LEU A 37 -5.738 -22.341 -17.573 1.00 0.00 C ATOM 609 C LEU A 37 -6.950 -23.267 -17.686 1.00 0.00 C ATOM 610 O LEU A 37 -7.902 -23.145 -16.916 1.00 0.00 O ATOM 611 CB LEU A 37 -5.314 -22.055 -16.131 1.00 0.00 C ATOM 612 CG LEU A 37 -3.898 -21.506 -15.944 1.00 0.00 C ATOM 613 CD1 LEU A 37 -2.850 -22.559 -16.305 1.00 0.00 C ATOM 614 CD2 LEU A 37 -3.704 -20.209 -16.733 1.00 0.00 C ATOM 0 H LEU A 37 -6.618 -20.449 -17.776 1.00 0.00 H new ATOM 0 HA LEU A 37 -4.896 -22.860 -18.031 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -6.018 -21.343 -15.701 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -5.403 -22.978 -15.557 1.00 0.00 H new ATOM 0 HG LEU A 37 -3.762 -21.265 -14.890 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.852 -22.143 -16.163 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -2.974 -23.431 -15.663 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.975 -22.855 -17.347 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.689 -19.840 -16.583 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.867 -20.400 -17.794 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.417 -19.462 -16.385 1.00 0.00 H new ATOM 626 N LYS A 38 -6.876 -24.171 -18.651 1.00 0.00 N ATOM 627 CA LYS A 38 -7.956 -25.117 -18.875 1.00 0.00 C ATOM 628 C LYS A 38 -8.246 -25.870 -17.575 1.00 0.00 C ATOM 629 O LYS A 38 -7.442 -26.691 -17.136 1.00 0.00 O ATOM 630 CB LYS A 38 -7.630 -26.033 -20.056 1.00 0.00 C ATOM 631 CG LYS A 38 -8.445 -25.646 -21.292 1.00 0.00 C ATOM 632 CD LYS A 38 -8.062 -24.249 -21.785 1.00 0.00 C ATOM 633 CE LYS A 38 -7.158 -24.331 -23.017 1.00 0.00 C ATOM 634 NZ LYS A 38 -7.514 -23.276 -23.992 1.00 0.00 N ATOM 0 H LYS A 38 -6.085 -24.269 -19.287 1.00 0.00 H new ATOM 0 HA LYS A 38 -8.871 -24.592 -19.151 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.566 -25.973 -20.284 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -7.840 -27.068 -19.787 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -8.277 -26.374 -22.085 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -9.508 -25.673 -21.054 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -8.963 -23.685 -22.027 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -7.551 -23.706 -20.990 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -6.115 -24.222 -22.718 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -7.255 -25.312 -23.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -6.891 -23.346 -24.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -8.503 -23.398 -24.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -7.399 -22.342 -23.550 1.00 0.00 H new ATOM 648 N GLY A 39 -9.397 -25.563 -16.995 1.00 0.00 N ATOM 649 CA GLY A 39 -9.804 -26.200 -15.754 1.00 0.00 C ATOM 650 C GLY A 39 -11.081 -25.563 -15.203 1.00 0.00 C ATOM 651 O GLY A 39 -11.884 -26.234 -14.555 1.00 0.00 O ATOM 0 H GLY A 39 -10.061 -24.881 -17.362 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -9.969 -27.264 -15.924 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -9.004 -26.115 -15.018 1.00 0.00 H new ATOM 655 N ARG A 40 -11.231 -24.277 -15.481 1.00 0.00 N ATOM 656 CA ARG A 40 -12.397 -23.542 -15.022 1.00 0.00 C ATOM 657 C ARG A 40 -12.232 -23.150 -13.552 1.00 0.00 C ATOM 658 O ARG A 40 -13.027 -23.555 -12.705 1.00 0.00 O ATOM 659 CB ARG A 40 -13.670 -24.375 -15.181 1.00 0.00 C ATOM 660 CG ARG A 40 -14.814 -23.528 -15.742 1.00 0.00 C ATOM 661 CD ARG A 40 -15.621 -24.313 -16.778 1.00 0.00 C ATOM 662 NE ARG A 40 -16.958 -24.642 -16.234 1.00 0.00 N ATOM 663 CZ ARG A 40 -17.730 -25.638 -16.689 1.00 0.00 C ATOM 664 NH1 ARG A 40 -17.302 -26.410 -17.698 1.00 0.00 N ATOM 665 NH2 ARG A 40 -18.929 -25.863 -16.136 1.00 0.00 N ATOM 0 H ARG A 40 -10.564 -23.724 -16.019 1.00 0.00 H new ATOM 0 HA ARG A 40 -12.485 -22.644 -15.633 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -13.477 -25.217 -15.845 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -13.960 -24.790 -14.216 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -15.469 -23.211 -14.930 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -14.412 -22.624 -16.198 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -15.725 -23.726 -17.691 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -15.093 -25.228 -17.045 1.00 0.00 H new ATOM 0 HE ARG A 40 -17.314 -24.075 -15.465 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -16.389 -26.239 -18.119 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -17.890 -27.168 -18.045 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -19.255 -25.276 -15.368 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -19.516 -26.621 -16.483 1.00 0.00 H new ATOM 679 N LEU A 41 -11.196 -22.365 -13.295 1.00 0.00 N ATOM 680 CA LEU A 41 -10.917 -21.914 -11.942 1.00 0.00 C ATOM 681 C LEU A 41 -11.717 -20.641 -11.659 1.00 0.00 C ATOM 682 O LEU A 41 -12.508 -20.202 -12.493 1.00 0.00 O ATOM 683 CB LEU A 41 -9.410 -21.753 -11.731 1.00 0.00 C ATOM 684 CG LEU A 41 -8.674 -22.982 -11.193 1.00 0.00 C ATOM 685 CD1 LEU A 41 -8.932 -23.164 -9.696 1.00 0.00 C ATOM 686 CD2 LEU A 41 -9.038 -24.234 -11.994 1.00 0.00 C ATOM 0 H LEU A 41 -10.540 -22.030 -14.000 1.00 0.00 H new ATOM 0 HA LEU A 41 -11.239 -22.661 -11.217 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.958 -21.471 -12.682 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -9.246 -20.925 -11.042 1.00 0.00 H new ATOM 0 HG LEU A 41 -7.603 -22.820 -11.318 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -8.397 -24.044 -9.339 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -8.582 -22.284 -9.157 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -10.000 -23.294 -9.524 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -8.501 -25.093 -11.591 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -10.111 -24.411 -11.924 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -8.761 -24.091 -13.039 1.00 0.00 H new ATOM 698 N GLY A 42 -11.483 -20.083 -10.480 1.00 0.00 N ATOM 699 CA GLY A 42 -12.172 -18.869 -10.077 1.00 0.00 C ATOM 700 C GLY A 42 -12.403 -18.846 -8.565 1.00 0.00 C ATOM 701 O GLY A 42 -13.489 -18.499 -8.105 1.00 0.00 O ATOM 0 H GLY A 42 -10.826 -20.449 -9.791 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -11.586 -17.999 -10.372 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -13.128 -18.800 -10.596 1.00 0.00 H new ATOM 705 N LYS A 43 -11.363 -19.220 -7.834 1.00 0.00 N ATOM 706 CA LYS A 43 -11.439 -19.247 -6.383 1.00 0.00 C ATOM 707 C LYS A 43 -10.252 -18.477 -5.800 1.00 0.00 C ATOM 708 O LYS A 43 -10.413 -17.361 -5.308 1.00 0.00 O ATOM 709 CB LYS A 43 -11.545 -20.687 -5.879 1.00 0.00 C ATOM 710 CG LYS A 43 -12.737 -20.851 -4.933 1.00 0.00 C ATOM 711 CD LYS A 43 -12.457 -20.195 -3.580 1.00 0.00 C ATOM 712 CE LYS A 43 -13.317 -20.819 -2.479 1.00 0.00 C ATOM 713 NZ LYS A 43 -14.681 -20.245 -2.500 1.00 0.00 N ATOM 0 H LYS A 43 -10.463 -19.507 -8.219 1.00 0.00 H new ATOM 0 HA LYS A 43 -12.344 -18.746 -6.039 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -11.652 -21.365 -6.725 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -10.626 -20.964 -5.363 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -13.625 -20.405 -5.381 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -12.950 -21.911 -4.790 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -11.402 -20.306 -3.329 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -12.659 -19.126 -3.642 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -13.368 -21.899 -2.617 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -12.857 -20.644 -1.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -15.252 -20.679 -1.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -14.628 -19.218 -2.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -15.123 -20.434 -3.422 1.00 0.00 H new ATOM 727 N GLN A 44 -9.087 -19.103 -5.875 1.00 0.00 N ATOM 728 CA GLN A 44 -7.874 -18.491 -5.361 1.00 0.00 C ATOM 729 C GLN A 44 -7.453 -17.319 -6.250 1.00 0.00 C ATOM 730 O GLN A 44 -6.367 -17.331 -6.826 1.00 0.00 O ATOM 731 CB GLN A 44 -6.748 -19.521 -5.242 1.00 0.00 C ATOM 732 CG GLN A 44 -6.890 -20.343 -3.960 1.00 0.00 C ATOM 733 CD GLN A 44 -8.046 -21.339 -4.072 1.00 0.00 C ATOM 734 OE1 GLN A 44 -8.062 -22.218 -4.918 1.00 0.00 O ATOM 735 NE2 GLN A 44 -9.010 -21.153 -3.175 1.00 0.00 N ATOM 0 H GLN A 44 -8.957 -20.028 -6.284 1.00 0.00 H new ATOM 0 HA GLN A 44 -8.079 -18.108 -4.361 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -6.764 -20.184 -6.107 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -5.784 -19.013 -5.248 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -5.962 -20.879 -3.763 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -7.060 -19.677 -3.114 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -8.934 -20.397 -2.494 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -9.825 -21.766 -3.168 1.00 0.00 H new ATOM 744 N CYS A 45 -8.335 -16.334 -6.332 1.00 0.00 N ATOM 745 CA CYS A 45 -8.069 -15.157 -7.141 1.00 0.00 C ATOM 746 C CYS A 45 -7.601 -14.033 -6.214 1.00 0.00 C ATOM 747 O CYS A 45 -8.121 -13.878 -5.110 1.00 0.00 O ATOM 748 CB CYS A 45 -9.293 -14.746 -7.963 1.00 0.00 C ATOM 749 SG CYS A 45 -10.702 -14.389 -6.852 1.00 0.00 S ATOM 0 H CYS A 45 -9.235 -16.327 -5.851 1.00 0.00 H new ATOM 0 HA CYS A 45 -7.285 -15.380 -7.865 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -9.060 -13.866 -8.562 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -9.559 -15.543 -8.657 1.00 0.00 H new ATOM 0 HG CYS A 45 -10.934 -15.424 -6.100 1.00 0.00 H new ATOM 755 N ARG A 46 -6.626 -13.278 -6.697 1.00 0.00 N ATOM 756 CA ARG A 46 -6.082 -12.173 -5.926 1.00 0.00 C ATOM 757 C ARG A 46 -5.378 -12.697 -4.672 1.00 0.00 C ATOM 758 O ARG A 46 -5.988 -12.797 -3.609 1.00 0.00 O ATOM 759 CB ARG A 46 -7.184 -11.195 -5.512 1.00 0.00 C ATOM 760 CG ARG A 46 -7.979 -10.719 -6.729 1.00 0.00 C ATOM 761 CD ARG A 46 -9.439 -10.449 -6.359 1.00 0.00 C ATOM 762 NE ARG A 46 -10.177 -9.948 -7.540 1.00 0.00 N ATOM 763 CZ ARG A 46 -11.498 -9.726 -7.562 1.00 0.00 C ATOM 764 NH1 ARG A 46 -12.235 -9.959 -6.468 1.00 0.00 N ATOM 765 NH2 ARG A 46 -12.082 -9.270 -8.679 1.00 0.00 N ATOM 0 H ARG A 46 -6.198 -13.410 -7.614 1.00 0.00 H new ATOM 0 HA ARG A 46 -5.365 -11.649 -6.558 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -7.855 -11.677 -4.801 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -6.743 -10.338 -5.003 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -7.528 -9.811 -7.130 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -7.933 -11.472 -7.515 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -9.904 -11.363 -5.990 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -9.489 -9.718 -5.552 1.00 0.00 H new ATOM 0 HE ARG A 46 -9.647 -9.760 -8.391 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -11.790 -10.306 -5.618 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -13.241 -9.790 -6.485 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -11.521 -9.092 -9.512 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -13.088 -9.101 -8.696 1.00 0.00 H new ATOM 779 N GLU A 47 -4.103 -13.016 -4.839 1.00 0.00 N ATOM 780 CA GLU A 47 -3.309 -13.527 -3.735 1.00 0.00 C ATOM 781 C GLU A 47 -1.820 -13.484 -4.086 1.00 0.00 C ATOM 782 O GLU A 47 -1.186 -14.526 -4.246 1.00 0.00 O ATOM 783 CB GLU A 47 -3.742 -14.945 -3.357 1.00 0.00 C ATOM 784 CG GLU A 47 -2.750 -15.580 -2.381 1.00 0.00 C ATOM 785 CD GLU A 47 -3.457 -16.042 -1.105 1.00 0.00 C ATOM 786 OE1 GLU A 47 -3.887 -15.152 -0.340 1.00 0.00 O ATOM 787 OE2 GLU A 47 -3.551 -17.275 -0.923 1.00 0.00 O ATOM 0 H GLU A 47 -3.600 -12.930 -5.722 1.00 0.00 H new ATOM 0 HA GLU A 47 -3.476 -12.888 -2.868 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -4.734 -14.918 -2.906 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -3.817 -15.558 -4.255 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -2.259 -16.429 -2.857 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -1.971 -14.861 -2.129 1.00 0.00 H new ATOM 794 N ARG A 48 -1.306 -12.268 -4.197 1.00 0.00 N ATOM 795 CA ARG A 48 0.096 -12.075 -4.527 1.00 0.00 C ATOM 796 C ARG A 48 0.427 -10.583 -4.585 1.00 0.00 C ATOM 797 O ARG A 48 1.472 -10.156 -4.098 1.00 0.00 O ATOM 798 CB ARG A 48 0.438 -12.720 -5.872 1.00 0.00 C ATOM 799 CG ARG A 48 1.941 -12.641 -6.151 1.00 0.00 C ATOM 800 CD ARG A 48 2.712 -13.639 -5.285 1.00 0.00 C ATOM 801 NE ARG A 48 2.876 -14.918 -6.013 1.00 0.00 N ATOM 802 CZ ARG A 48 3.169 -16.085 -5.423 1.00 0.00 C ATOM 803 NH1 ARG A 48 3.332 -16.143 -4.095 1.00 0.00 N ATOM 804 NH2 ARG A 48 3.299 -17.195 -6.163 1.00 0.00 N ATOM 0 H ARG A 48 -1.835 -11.406 -4.064 1.00 0.00 H new ATOM 0 HA ARG A 48 0.690 -12.552 -3.747 1.00 0.00 H new ATOM 0 HB2 ARG A 48 0.119 -13.762 -5.871 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -0.111 -12.219 -6.670 1.00 0.00 H new ATOM 0 HG2 ARG A 48 2.130 -12.846 -7.205 1.00 0.00 H new ATOM 0 HG3 ARG A 48 2.299 -11.630 -5.954 1.00 0.00 H new ATOM 0 HD2 ARG A 48 3.689 -13.230 -5.026 1.00 0.00 H new ATOM 0 HD3 ARG A 48 2.179 -13.809 -4.349 1.00 0.00 H new ATOM 0 HE ARG A 48 2.759 -14.910 -7.026 1.00 0.00 H new ATOM 0 HH11 ARG A 48 3.233 -15.298 -3.532 1.00 0.00 H new ATOM 0 HH12 ARG A 48 3.555 -17.032 -3.647 1.00 0.00 H new ATOM 0 HH21 ARG A 48 3.175 -17.151 -7.174 1.00 0.00 H new ATOM 0 HH22 ARG A 48 3.522 -18.084 -5.715 1.00 0.00 H new ATOM 818 N TRP A 49 -0.483 -9.830 -5.186 1.00 0.00 N ATOM 819 CA TRP A 49 -0.300 -8.394 -5.315 1.00 0.00 C ATOM 820 C TRP A 49 -1.312 -7.705 -4.396 1.00 0.00 C ATOM 821 O TRP A 49 -1.117 -6.555 -4.006 1.00 0.00 O ATOM 822 CB TRP A 49 -0.422 -7.954 -6.775 1.00 0.00 C ATOM 823 CG TRP A 49 -1.307 -8.865 -7.628 1.00 0.00 C ATOM 824 CD1 TRP A 49 -2.569 -9.249 -7.388 1.00 0.00 C ATOM 825 CD2 TRP A 49 -0.944 -9.495 -8.875 1.00 0.00 C ATOM 826 NE1 TRP A 49 -3.043 -10.077 -8.385 1.00 0.00 N ATOM 827 CE2 TRP A 49 -2.024 -10.231 -9.318 1.00 0.00 C ATOM 828 CE3 TRP A 49 0.257 -9.444 -9.604 1.00 0.00 C ATOM 829 CZ2 TRP A 49 -2.011 -10.972 -10.506 1.00 0.00 C ATOM 830 CZ3 TRP A 49 0.254 -10.190 -10.788 1.00 0.00 C ATOM 831 CH2 TRP A 49 -0.825 -10.936 -11.249 1.00 0.00 C ATOM 0 H TRP A 49 -1.349 -10.187 -5.589 1.00 0.00 H new ATOM 0 HA TRP A 49 0.705 -8.104 -5.007 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -0.824 -6.941 -6.806 1.00 0.00 H new ATOM 0 HB3 TRP A 49 0.574 -7.915 -7.216 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -3.142 -8.948 -6.523 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -3.971 -10.499 -8.429 1.00 0.00 H new ATOM 0 HE3 TRP A 49 1.114 -8.874 -9.276 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -2.870 -11.541 -10.832 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 1.153 -10.186 -11.386 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -0.749 -11.485 -12.176 1.00 0.00 H new ATOM 842 N HIS A 50 -2.369 -8.437 -4.078 1.00 0.00 N ATOM 843 CA HIS A 50 -3.411 -7.911 -3.213 1.00 0.00 C ATOM 844 C HIS A 50 -2.846 -7.682 -1.810 1.00 0.00 C ATOM 845 O HIS A 50 -2.644 -6.541 -1.397 1.00 0.00 O ATOM 846 CB HIS A 50 -4.635 -8.829 -3.217 1.00 0.00 C ATOM 847 CG HIS A 50 -5.954 -8.094 -3.248 1.00 0.00 C ATOM 848 ND1 HIS A 50 -6.669 -7.789 -2.103 1.00 0.00 N ATOM 849 CD2 HIS A 50 -6.678 -7.605 -4.295 1.00 0.00 C ATOM 850 CE1 HIS A 50 -7.773 -7.147 -2.457 1.00 0.00 C ATOM 851 NE2 HIS A 50 -7.777 -7.035 -3.817 1.00 0.00 N ATOM 0 H HIS A 50 -2.526 -9.391 -4.404 1.00 0.00 H new ATOM 0 HA HIS A 50 -3.751 -6.947 -3.592 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -4.578 -9.489 -4.082 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -4.604 -9.462 -2.330 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -6.403 -7.671 -5.337 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -8.535 -6.778 -1.787 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -8.505 -6.587 -4.374 1.00 0.00 H new ATOM 859 N ASN A 51 -2.607 -8.785 -1.116 1.00 0.00 N ATOM 860 CA ASN A 51 -2.069 -8.718 0.232 1.00 0.00 C ATOM 861 C ASN A 51 -0.996 -7.629 0.295 1.00 0.00 C ATOM 862 O ASN A 51 -0.967 -6.836 1.235 1.00 0.00 O ATOM 863 CB ASN A 51 -1.421 -10.045 0.632 1.00 0.00 C ATOM 864 CG ASN A 51 -1.088 -10.887 -0.601 1.00 0.00 C ATOM 865 OD1 ASN A 51 -2.155 -11.373 -1.228 1.00 0.00 O flip ATOM 866 ND2 ASN A 51 0.062 -11.082 -0.960 1.00 0.00 N flip ATOM 0 H ASN A 51 -2.776 -9.730 -1.462 1.00 0.00 H new ATOM 0 HA ASN A 51 -2.891 -8.498 0.913 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -0.512 -9.853 1.202 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -2.094 -10.600 1.285 1.00 0.00 H new ATOM 0 HD21 ASN A 51 0.836 -10.679 -0.432 1.00 0.00 H new ATOM 0 HD22 ASN A 51 0.249 -11.648 -1.788 1.00 0.00 H new ATOM 873 N HIS A 52 -0.140 -7.627 -0.716 1.00 0.00 N ATOM 874 CA HIS A 52 0.932 -6.649 -0.787 1.00 0.00 C ATOM 875 C HIS A 52 0.338 -5.242 -0.883 1.00 0.00 C ATOM 876 O HIS A 52 0.688 -4.362 -0.099 1.00 0.00 O ATOM 877 CB HIS A 52 1.885 -6.970 -1.940 1.00 0.00 C ATOM 878 CG HIS A 52 2.823 -8.119 -1.661 1.00 0.00 C ATOM 879 ND1 HIS A 52 2.613 -9.467 -1.686 1.00 0.00 N flip ATOM 880 CD2 HIS A 52 4.148 -7.937 -1.306 1.00 0.00 C flip ATOM 881 CE1 HIS A 52 3.749 -10.074 -1.365 1.00 0.00 C flip ATOM 882 NE2 HIS A 52 4.702 -9.127 -1.129 1.00 0.00 N flip ATOM 0 H HIS A 52 -0.167 -8.287 -1.493 1.00 0.00 H new ATOM 0 HA HIS A 52 1.529 -6.692 0.124 1.00 0.00 H new ATOM 0 HB2 HIS A 52 1.298 -7.201 -2.829 1.00 0.00 H new ATOM 0 HB3 HIS A 52 2.474 -6.082 -2.169 1.00 0.00 H new ATOM 0 HD2 HIS A 52 4.646 -6.986 -1.192 1.00 0.00 H new ATOM 0 HE1 HIS A 52 3.895 -11.142 -1.301 1.00 0.00 H new ATOM 0 HE2 HIS A 52 5.671 -9.304 -0.863 1.00 0.00 H new ATOM 890 N LEU A 53 -0.552 -5.075 -1.850 1.00 0.00 N ATOM 891 CA LEU A 53 -1.198 -3.790 -2.059 1.00 0.00 C ATOM 892 C LEU A 53 -0.141 -2.745 -2.421 1.00 0.00 C ATOM 893 O LEU A 53 -0.023 -1.719 -1.753 1.00 0.00 O ATOM 894 CB LEU A 53 -2.045 -3.413 -0.842 1.00 0.00 C ATOM 895 CG LEU A 53 -3.356 -2.682 -1.137 1.00 0.00 C ATOM 896 CD1 LEU A 53 -3.094 -1.346 -1.835 1.00 0.00 C ATOM 897 CD2 LEU A 53 -4.310 -3.570 -1.939 1.00 0.00 C ATOM 0 H LEU A 53 -0.841 -5.808 -2.498 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.892 -3.844 -2.898 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.276 -4.324 -0.289 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.442 -2.786 -0.185 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.844 -2.459 -0.188 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -4.043 -0.847 -2.033 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.479 -0.715 -1.194 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.574 -1.523 -2.776 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -5.234 -3.027 -2.135 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.843 -3.845 -2.885 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -4.533 -4.472 -1.369 1.00 0.00 H new ATOM 909 N ASN A 54 0.601 -3.042 -3.478 1.00 0.00 N ATOM 910 CA ASN A 54 1.645 -2.141 -3.936 1.00 0.00 C ATOM 911 C ASN A 54 2.081 -2.547 -5.345 1.00 0.00 C ATOM 912 O ASN A 54 3.223 -2.954 -5.552 1.00 0.00 O ATOM 913 CB ASN A 54 2.871 -2.208 -3.024 1.00 0.00 C ATOM 914 CG ASN A 54 3.643 -0.888 -3.045 1.00 0.00 C ATOM 915 OD1 ASN A 54 4.783 -0.812 -3.474 1.00 0.00 O ATOM 916 ND2 ASN A 54 2.962 0.145 -2.557 1.00 0.00 N ATOM 0 H ASN A 54 0.500 -3.894 -4.030 1.00 0.00 H new ATOM 0 HA ASN A 54 1.244 -1.128 -3.926 1.00 0.00 H new ATOM 0 HB2 ASN A 54 2.558 -2.434 -2.005 1.00 0.00 H new ATOM 0 HB3 ASN A 54 3.523 -3.020 -3.345 1.00 0.00 H new ATOM 0 HD21 ASN A 54 3.391 1.070 -2.526 1.00 0.00 H new ATOM 0 HD22 ASN A 54 2.011 0.012 -2.214 1.00 0.00 H new ATOM 923 N PRO A 55 1.123 -2.420 -6.303 1.00 0.00 N ATOM 924 CA PRO A 55 1.397 -2.769 -7.686 1.00 0.00 C ATOM 925 C PRO A 55 2.261 -1.702 -8.360 1.00 0.00 C ATOM 926 O PRO A 55 2.962 -0.949 -7.686 1.00 0.00 O ATOM 927 CB PRO A 55 0.029 -2.920 -8.332 1.00 0.00 C ATOM 928 CG PRO A 55 -0.947 -2.200 -7.415 1.00 0.00 C ATOM 929 CD PRO A 55 -0.240 -1.941 -6.094 1.00 0.00 C ATOM 0 HA PRO A 55 1.972 -3.690 -7.781 1.00 0.00 H new ATOM 0 HB2 PRO A 55 0.019 -2.485 -9.332 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -0.239 -3.971 -8.439 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -1.272 -1.262 -7.865 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -1.840 -2.805 -7.258 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -0.253 -0.881 -5.839 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -0.725 -2.472 -5.275 1.00 0.00 H new ATOM 937 N GLU A 56 2.185 -1.673 -9.683 1.00 0.00 N ATOM 938 CA GLU A 56 2.952 -0.711 -10.455 1.00 0.00 C ATOM 939 C GLU A 56 4.329 -0.500 -9.824 1.00 0.00 C ATOM 940 O GLU A 56 4.495 0.362 -8.961 1.00 0.00 O ATOM 941 CB GLU A 56 2.198 0.615 -10.584 1.00 0.00 C ATOM 942 CG GLU A 56 3.041 1.655 -11.326 1.00 0.00 C ATOM 943 CD GLU A 56 2.445 3.055 -11.170 1.00 0.00 C ATOM 944 OE1 GLU A 56 2.199 3.441 -10.007 1.00 0.00 O ATOM 945 OE2 GLU A 56 2.249 3.708 -12.218 1.00 0.00 O ATOM 0 H GLU A 56 1.604 -2.300 -10.239 1.00 0.00 H new ATOM 0 HA GLU A 56 3.092 -1.110 -11.459 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.261 0.454 -11.117 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.941 0.989 -9.593 1.00 0.00 H new ATOM 0 HG2 GLU A 56 4.060 1.645 -10.940 1.00 0.00 H new ATOM 0 HG3 GLU A 56 3.098 1.396 -12.383 1.00 0.00 H new ATOM 952 N VAL A 57 5.282 -1.301 -10.277 1.00 0.00 N ATOM 953 CA VAL A 57 6.639 -1.213 -9.767 1.00 0.00 C ATOM 954 C VAL A 57 7.307 0.048 -10.320 1.00 0.00 C ATOM 955 O VAL A 57 8.349 0.472 -9.824 1.00 0.00 O ATOM 956 CB VAL A 57 7.409 -2.492 -10.102 1.00 0.00 C ATOM 957 CG1 VAL A 57 8.918 -2.242 -10.094 1.00 0.00 C ATOM 958 CG2 VAL A 57 7.035 -3.624 -9.143 1.00 0.00 C ATOM 0 H VAL A 57 5.141 -2.014 -10.992 1.00 0.00 H new ATOM 0 HA VAL A 57 6.633 -1.128 -8.680 1.00 0.00 H new ATOM 0 HB VAL A 57 7.126 -2.799 -11.109 1.00 0.00 H new ATOM 0 HG11 VAL A 57 9.441 -3.167 -10.335 1.00 0.00 H new ATOM 0 HG12 VAL A 57 9.165 -1.482 -10.835 1.00 0.00 H new ATOM 0 HG13 VAL A 57 9.225 -1.899 -9.106 1.00 0.00 H new ATOM 0 HG21 VAL A 57 7.596 -4.521 -9.403 1.00 0.00 H new ATOM 0 HG22 VAL A 57 7.275 -3.329 -8.121 1.00 0.00 H new ATOM 0 HG23 VAL A 57 5.967 -3.829 -9.221 1.00 0.00 H new ATOM 968 N LYS A 58 6.677 0.613 -11.340 1.00 0.00 N ATOM 969 CA LYS A 58 7.197 1.817 -11.966 1.00 0.00 C ATOM 970 C LYS A 58 8.583 1.528 -12.546 1.00 0.00 C ATOM 971 O LYS A 58 9.394 0.851 -11.917 1.00 0.00 O ATOM 972 CB LYS A 58 7.175 2.986 -10.979 1.00 0.00 C ATOM 973 CG LYS A 58 6.898 4.307 -11.700 1.00 0.00 C ATOM 974 CD LYS A 58 5.440 4.387 -12.156 1.00 0.00 C ATOM 975 CE LYS A 58 4.664 5.419 -11.335 1.00 0.00 C ATOM 976 NZ LYS A 58 4.090 6.459 -12.218 1.00 0.00 N ATOM 0 H LYS A 58 5.812 0.259 -11.748 1.00 0.00 H new ATOM 0 HA LYS A 58 6.560 2.119 -12.797 1.00 0.00 H new ATOM 0 HB2 LYS A 58 6.410 2.813 -10.222 1.00 0.00 H new ATOM 0 HB3 LYS A 58 8.131 3.045 -10.458 1.00 0.00 H new ATOM 0 HG2 LYS A 58 7.121 5.142 -11.036 1.00 0.00 H new ATOM 0 HG3 LYS A 58 7.558 4.400 -12.562 1.00 0.00 H new ATOM 0 HD2 LYS A 58 5.400 4.653 -13.212 1.00 0.00 H new ATOM 0 HD3 LYS A 58 4.970 3.409 -12.055 1.00 0.00 H new ATOM 0 HE2 LYS A 58 3.867 4.925 -10.779 1.00 0.00 H new ATOM 0 HE3 LYS A 58 5.325 5.881 -10.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 3.567 7.151 -11.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 4.856 6.942 -12.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 3.443 6.016 -12.901 1.00 0.00 H new ATOM 990 N LYS A 59 8.812 2.055 -13.740 1.00 0.00 N ATOM 991 CA LYS A 59 10.085 1.862 -14.412 1.00 0.00 C ATOM 992 C LYS A 59 11.142 2.754 -13.758 1.00 0.00 C ATOM 993 O LYS A 59 12.330 2.433 -13.778 1.00 0.00 O ATOM 994 CB LYS A 59 9.936 2.088 -15.918 1.00 0.00 C ATOM 995 CG LYS A 59 9.659 3.560 -16.227 1.00 0.00 C ATOM 996 CD LYS A 59 10.962 4.323 -16.474 1.00 0.00 C ATOM 997 CE LYS A 59 10.681 5.735 -16.991 1.00 0.00 C ATOM 998 NZ LYS A 59 11.335 5.947 -18.302 1.00 0.00 N ATOM 0 H LYS A 59 8.137 2.616 -14.259 1.00 0.00 H new ATOM 0 HA LYS A 59 10.423 0.832 -14.300 1.00 0.00 H new ATOM 0 HB2 LYS A 59 10.845 1.770 -16.429 1.00 0.00 H new ATOM 0 HB3 LYS A 59 9.123 1.473 -16.303 1.00 0.00 H new ATOM 0 HG2 LYS A 59 9.017 3.636 -17.104 1.00 0.00 H new ATOM 0 HG3 LYS A 59 9.119 4.014 -15.396 1.00 0.00 H new ATOM 0 HD2 LYS A 59 11.536 4.378 -15.549 1.00 0.00 H new ATOM 0 HD3 LYS A 59 11.573 3.782 -17.197 1.00 0.00 H new ATOM 0 HE2 LYS A 59 9.606 5.887 -17.086 1.00 0.00 H new ATOM 0 HE3 LYS A 59 11.045 6.470 -16.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 11.134 6.910 -18.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 12.363 5.823 -18.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 10.968 5.257 -18.988 1.00 0.00 H new ATOM 1012 N SER A 60 10.673 3.857 -13.194 1.00 0.00 N ATOM 1013 CA SER A 60 11.563 4.798 -12.535 1.00 0.00 C ATOM 1014 C SER A 60 12.549 4.047 -11.639 1.00 0.00 C ATOM 1015 O SER A 60 13.733 4.378 -11.598 1.00 0.00 O ATOM 1016 CB SER A 60 10.774 5.821 -11.715 1.00 0.00 C ATOM 1017 OG SER A 60 10.029 5.206 -10.668 1.00 0.00 O ATOM 0 H SER A 60 9.688 4.120 -13.180 1.00 0.00 H new ATOM 0 HA SER A 60 12.118 5.338 -13.302 1.00 0.00 H new ATOM 0 HB2 SER A 60 11.461 6.552 -11.290 1.00 0.00 H new ATOM 0 HB3 SER A 60 10.095 6.366 -12.371 1.00 0.00 H new ATOM 0 HG SER A 60 9.541 5.892 -10.167 1.00 0.00 H new ATOM 1023 N SER A 61 12.024 3.048 -10.943 1.00 0.00 N ATOM 1024 CA SER A 61 12.844 2.247 -10.050 1.00 0.00 C ATOM 1025 C SER A 61 12.110 0.955 -9.685 1.00 0.00 C ATOM 1026 O SER A 61 10.928 0.800 -9.991 1.00 0.00 O ATOM 1027 CB SER A 61 13.205 3.027 -8.785 1.00 0.00 C ATOM 1028 OG SER A 61 12.097 3.767 -8.280 1.00 0.00 O ATOM 0 H SER A 61 11.042 2.776 -10.980 1.00 0.00 H new ATOM 0 HA SER A 61 13.771 1.998 -10.567 1.00 0.00 H new ATOM 0 HB2 SER A 61 13.557 2.335 -8.020 1.00 0.00 H new ATOM 0 HB3 SER A 61 14.028 3.708 -9.002 1.00 0.00 H new ATOM 0 HG SER A 61 12.367 4.250 -7.471 1.00 0.00 H new ATOM 1034 N TRP A 62 12.841 0.060 -9.037 1.00 0.00 N ATOM 1035 CA TRP A 62 12.274 -1.214 -8.627 1.00 0.00 C ATOM 1036 C TRP A 62 11.186 -0.935 -7.588 1.00 0.00 C ATOM 1037 O TRP A 62 10.885 0.221 -7.294 1.00 0.00 O ATOM 1038 CB TRP A 62 13.362 -2.159 -8.114 1.00 0.00 C ATOM 1039 CG TRP A 62 14.611 -2.208 -8.997 1.00 0.00 C ATOM 1040 CD1 TRP A 62 15.734 -1.487 -8.878 1.00 0.00 C ATOM 1041 CD2 TRP A 62 14.818 -3.055 -10.147 1.00 0.00 C ATOM 1042 NE1 TRP A 62 16.647 -1.807 -9.863 1.00 0.00 N ATOM 1043 CE2 TRP A 62 16.072 -2.791 -10.659 1.00 0.00 C ATOM 1044 CE3 TRP A 62 13.974 -4.014 -10.734 1.00 0.00 C ATOM 1045 CZ2 TRP A 62 16.594 -3.443 -11.782 1.00 0.00 C ATOM 1046 CZ3 TRP A 62 14.510 -4.657 -11.856 1.00 0.00 C ATOM 1047 CH2 TRP A 62 15.771 -4.402 -12.384 1.00 0.00 C ATOM 0 H TRP A 62 13.821 0.192 -8.786 1.00 0.00 H new ATOM 0 HA TRP A 62 11.821 -1.726 -9.476 1.00 0.00 H new ATOM 0 HB2 TRP A 62 13.652 -1.851 -7.109 1.00 0.00 H new ATOM 0 HB3 TRP A 62 12.947 -3.164 -8.033 1.00 0.00 H new ATOM 0 HD1 TRP A 62 15.904 -0.748 -8.108 1.00 0.00 H new ATOM 0 HE1 TRP A 62 17.573 -1.397 -9.984 1.00 0.00 H new ATOM 0 HE3 TRP A 62 12.990 -4.237 -10.350 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 17.579 -3.218 -12.164 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 13.902 -5.403 -12.346 1.00 0.00 H new ATOM 0 HH2 TRP A 62 16.114 -4.941 -13.255 1.00 0.00 H new ATOM 1058 N THR A 63 10.626 -2.013 -7.060 1.00 0.00 N ATOM 1059 CA THR A 63 9.578 -1.899 -6.060 1.00 0.00 C ATOM 1060 C THR A 63 9.495 -3.179 -5.226 1.00 0.00 C ATOM 1061 O THR A 63 10.516 -3.698 -4.776 1.00 0.00 O ATOM 1062 CB THR A 63 8.272 -1.558 -6.780 1.00 0.00 C ATOM 1063 OG1 THR A 63 8.639 -0.530 -7.696 1.00 0.00 O ATOM 1064 CG2 THR A 63 7.252 -0.888 -5.857 1.00 0.00 C ATOM 0 H THR A 63 10.878 -2.970 -7.306 1.00 0.00 H new ATOM 0 HA THR A 63 9.794 -1.100 -5.351 1.00 0.00 H new ATOM 0 HB THR A 63 7.840 -2.467 -7.199 1.00 0.00 H new ATOM 0 HG1 THR A 63 9.170 0.149 -7.230 1.00 0.00 H new ATOM 0 HG21 THR A 63 6.344 -0.667 -6.418 1.00 0.00 H new ATOM 0 HG22 THR A 63 7.014 -1.558 -5.030 1.00 0.00 H new ATOM 0 HG23 THR A 63 7.670 0.039 -5.464 1.00 0.00 H new ATOM 1072 N GLU A 64 8.271 -3.651 -5.044 1.00 0.00 N ATOM 1073 CA GLU A 64 8.041 -4.860 -4.272 1.00 0.00 C ATOM 1074 C GLU A 64 7.958 -6.074 -5.199 1.00 0.00 C ATOM 1075 O GLU A 64 8.908 -6.848 -5.301 1.00 0.00 O ATOM 1076 CB GLU A 64 6.778 -4.734 -3.418 1.00 0.00 C ATOM 1077 CG GLU A 64 7.090 -4.081 -2.070 1.00 0.00 C ATOM 1078 CD GLU A 64 6.158 -4.607 -0.977 1.00 0.00 C ATOM 1079 OE1 GLU A 64 6.404 -5.744 -0.520 1.00 0.00 O ATOM 1080 OE2 GLU A 64 5.221 -3.860 -0.622 1.00 0.00 O ATOM 0 H GLU A 64 7.427 -3.217 -5.418 1.00 0.00 H new ATOM 0 HA GLU A 64 8.884 -5.001 -3.595 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.033 -4.142 -3.949 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.344 -5.721 -3.256 1.00 0.00 H new ATOM 0 HG2 GLU A 64 8.126 -4.281 -1.796 1.00 0.00 H new ATOM 0 HG3 GLU A 64 6.985 -2.999 -2.153 1.00 0.00 H new ATOM 1087 N GLU A 65 6.812 -6.202 -5.851 1.00 0.00 N ATOM 1088 CA GLU A 65 6.591 -7.309 -6.766 1.00 0.00 C ATOM 1089 C GLU A 65 7.858 -7.585 -7.580 1.00 0.00 C ATOM 1090 O GLU A 65 8.483 -8.633 -7.425 1.00 0.00 O ATOM 1091 CB GLU A 65 5.399 -7.032 -7.685 1.00 0.00 C ATOM 1092 CG GLU A 65 4.122 -6.808 -6.873 1.00 0.00 C ATOM 1093 CD GLU A 65 2.897 -7.338 -7.621 1.00 0.00 C ATOM 1094 OE1 GLU A 65 2.774 -8.579 -7.702 1.00 0.00 O ATOM 1095 OE2 GLU A 65 2.111 -6.489 -8.095 1.00 0.00 O ATOM 0 H GLU A 65 6.026 -5.557 -5.764 1.00 0.00 H new ATOM 0 HA GLU A 65 6.357 -8.198 -6.180 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.604 -6.154 -8.297 1.00 0.00 H new ATOM 0 HB3 GLU A 65 5.258 -7.871 -8.367 1.00 0.00 H new ATOM 0 HG2 GLU A 65 4.208 -7.308 -5.908 1.00 0.00 H new ATOM 0 HG3 GLU A 65 3.997 -5.744 -6.671 1.00 0.00 H new ATOM 1102 N GLU A 66 8.198 -6.627 -8.429 1.00 0.00 N ATOM 1103 CA GLU A 66 9.378 -6.754 -9.267 1.00 0.00 C ATOM 1104 C GLU A 66 10.572 -7.227 -8.434 1.00 0.00 C ATOM 1105 O GLU A 66 11.468 -7.893 -8.950 1.00 0.00 O ATOM 1106 CB GLU A 66 9.692 -5.434 -9.975 1.00 0.00 C ATOM 1107 CG GLU A 66 8.874 -5.293 -11.259 1.00 0.00 C ATOM 1108 CD GLU A 66 9.762 -4.874 -12.433 1.00 0.00 C ATOM 1109 OE1 GLU A 66 10.964 -5.212 -12.383 1.00 0.00 O ATOM 1110 OE2 GLU A 66 9.219 -4.225 -13.352 1.00 0.00 O ATOM 0 H GLU A 66 7.677 -5.759 -8.555 1.00 0.00 H new ATOM 0 HA GLU A 66 9.176 -7.501 -10.035 1.00 0.00 H new ATOM 0 HB2 GLU A 66 9.476 -4.599 -9.308 1.00 0.00 H new ATOM 0 HB3 GLU A 66 10.755 -5.387 -10.210 1.00 0.00 H new ATOM 0 HG2 GLU A 66 8.385 -6.240 -11.488 1.00 0.00 H new ATOM 0 HG3 GLU A 66 8.086 -4.554 -11.113 1.00 0.00 H new ATOM 1117 N ASP A 67 10.545 -6.864 -7.160 1.00 0.00 N ATOM 1118 CA ASP A 67 11.613 -7.243 -6.252 1.00 0.00 C ATOM 1119 C ASP A 67 11.644 -8.767 -6.114 1.00 0.00 C ATOM 1120 O ASP A 67 12.653 -9.401 -6.419 1.00 0.00 O ATOM 1121 CB ASP A 67 11.391 -6.647 -4.860 1.00 0.00 C ATOM 1122 CG ASP A 67 12.667 -6.262 -4.110 1.00 0.00 C ATOM 1123 OD1 ASP A 67 13.727 -6.816 -4.471 1.00 0.00 O ATOM 1124 OD2 ASP A 67 12.553 -5.422 -3.191 1.00 0.00 O ATOM 0 H ASP A 67 9.800 -6.311 -6.736 1.00 0.00 H new ATOM 0 HA ASP A 67 12.551 -6.867 -6.660 1.00 0.00 H new ATOM 0 HB2 ASP A 67 10.763 -5.761 -4.957 1.00 0.00 H new ATOM 0 HB3 ASP A 67 10.837 -7.367 -4.257 1.00 0.00 H new ATOM 1129 N ARG A 68 10.526 -9.310 -5.656 1.00 0.00 N ATOM 1130 CA ARG A 68 10.411 -10.747 -5.474 1.00 0.00 C ATOM 1131 C ARG A 68 10.678 -11.471 -6.795 1.00 0.00 C ATOM 1132 O ARG A 68 11.535 -12.351 -6.862 1.00 0.00 O ATOM 1133 CB ARG A 68 9.021 -11.129 -4.963 1.00 0.00 C ATOM 1134 CG ARG A 68 8.815 -10.651 -3.525 1.00 0.00 C ATOM 1135 CD ARG A 68 7.721 -11.462 -2.828 1.00 0.00 C ATOM 1136 NE ARG A 68 8.177 -12.855 -2.622 1.00 0.00 N ATOM 1137 CZ ARG A 68 7.436 -13.811 -2.046 1.00 0.00 C ATOM 1138 NH1 ARG A 68 6.198 -13.531 -1.615 1.00 0.00 N ATOM 1139 NH2 ARG A 68 7.932 -15.047 -1.901 1.00 0.00 N ATOM 0 H ARG A 68 9.691 -8.780 -5.405 1.00 0.00 H new ATOM 0 HA ARG A 68 11.152 -11.048 -4.734 1.00 0.00 H new ATOM 0 HB2 ARG A 68 8.259 -10.691 -5.608 1.00 0.00 H new ATOM 0 HB3 ARG A 68 8.896 -12.211 -5.012 1.00 0.00 H new ATOM 0 HG2 ARG A 68 9.749 -10.742 -2.971 1.00 0.00 H new ATOM 0 HG3 ARG A 68 8.546 -9.595 -3.524 1.00 0.00 H new ATOM 0 HD2 ARG A 68 7.474 -11.006 -1.869 1.00 0.00 H new ATOM 0 HD3 ARG A 68 6.812 -11.453 -3.429 1.00 0.00 H new ATOM 0 HE ARG A 68 9.114 -13.103 -2.939 1.00 0.00 H new ATOM 0 HH11 ARG A 68 5.820 -12.590 -1.726 1.00 0.00 H new ATOM 0 HH12 ARG A 68 5.634 -14.259 -1.176 1.00 0.00 H new ATOM 0 HH21 ARG A 68 8.874 -15.260 -2.229 1.00 0.00 H new ATOM 0 HH22 ARG A 68 7.368 -15.775 -1.462 1.00 0.00 H new ATOM 1153 N ILE A 69 9.929 -11.075 -7.813 1.00 0.00 N ATOM 1154 CA ILE A 69 10.074 -11.675 -9.128 1.00 0.00 C ATOM 1155 C ILE A 69 11.556 -11.935 -9.405 1.00 0.00 C ATOM 1156 O ILE A 69 11.936 -13.041 -9.786 1.00 0.00 O ATOM 1157 CB ILE A 69 9.392 -10.811 -10.190 1.00 0.00 C ATOM 1158 CG1 ILE A 69 7.883 -10.734 -9.949 1.00 0.00 C ATOM 1159 CG2 ILE A 69 9.722 -11.309 -11.598 1.00 0.00 C ATOM 1160 CD1 ILE A 69 7.236 -9.683 -10.853 1.00 0.00 C ATOM 0 H ILE A 69 9.219 -10.345 -7.754 1.00 0.00 H new ATOM 0 HA ILE A 69 9.569 -12.640 -9.164 1.00 0.00 H new ATOM 0 HB ILE A 69 9.784 -9.797 -10.107 1.00 0.00 H new ATOM 0 HG12 ILE A 69 7.431 -11.708 -10.137 1.00 0.00 H new ATOM 0 HG13 ILE A 69 7.690 -10.489 -8.905 1.00 0.00 H new ATOM 0 HG21 ILE A 69 9.224 -10.677 -12.333 1.00 0.00 H new ATOM 0 HG22 ILE A 69 10.800 -11.269 -11.755 1.00 0.00 H new ATOM 0 HG23 ILE A 69 9.377 -12.337 -11.710 1.00 0.00 H new ATOM 0 HD11 ILE A 69 6.164 -9.649 -10.661 1.00 0.00 H new ATOM 0 HD12 ILE A 69 7.673 -8.706 -10.646 1.00 0.00 H new ATOM 0 HD13 ILE A 69 7.410 -9.944 -11.897 1.00 0.00 H new ATOM 1172 N ILE A 70 12.353 -10.896 -9.203 1.00 0.00 N ATOM 1173 CA ILE A 70 13.786 -10.997 -9.426 1.00 0.00 C ATOM 1174 C ILE A 70 14.348 -12.146 -8.586 1.00 0.00 C ATOM 1175 O ILE A 70 14.757 -13.172 -9.126 1.00 0.00 O ATOM 1176 CB ILE A 70 14.465 -9.652 -9.162 1.00 0.00 C ATOM 1177 CG1 ILE A 70 13.797 -8.534 -9.964 1.00 0.00 C ATOM 1178 CG2 ILE A 70 15.968 -9.735 -9.436 1.00 0.00 C ATOM 1179 CD1 ILE A 70 14.669 -8.112 -11.149 1.00 0.00 C ATOM 0 H ILE A 70 12.034 -9.980 -8.887 1.00 0.00 H new ATOM 0 HA ILE A 70 13.994 -11.233 -10.470 1.00 0.00 H new ATOM 0 HB ILE A 70 14.343 -9.408 -8.107 1.00 0.00 H new ATOM 0 HG12 ILE A 70 12.825 -8.871 -10.325 1.00 0.00 H new ATOM 0 HG13 ILE A 70 13.616 -7.676 -9.317 1.00 0.00 H new ATOM 0 HG21 ILE A 70 16.427 -8.766 -9.241 1.00 0.00 H new ATOM 0 HG22 ILE A 70 16.415 -10.486 -8.785 1.00 0.00 H new ATOM 0 HG23 ILE A 70 16.133 -10.012 -10.477 1.00 0.00 H new ATOM 0 HD11 ILE A 70 14.171 -7.316 -11.702 1.00 0.00 H new ATOM 0 HD12 ILE A 70 15.631 -7.752 -10.783 1.00 0.00 H new ATOM 0 HD13 ILE A 70 14.827 -8.967 -11.807 1.00 0.00 H new ATOM 1191 N PHE A 71 14.351 -11.934 -7.278 1.00 0.00 N ATOM 1192 CA PHE A 71 14.857 -12.938 -6.358 1.00 0.00 C ATOM 1193 C PHE A 71 14.230 -14.305 -6.640 1.00 0.00 C ATOM 1194 O PHE A 71 14.772 -15.335 -6.241 1.00 0.00 O ATOM 1195 CB PHE A 71 14.465 -12.492 -4.948 1.00 0.00 C ATOM 1196 CG PHE A 71 14.441 -13.625 -3.920 1.00 0.00 C ATOM 1197 CD1 PHE A 71 13.472 -14.577 -3.981 1.00 0.00 C ATOM 1198 CD2 PHE A 71 15.388 -13.680 -2.946 1.00 0.00 C ATOM 1199 CE1 PHE A 71 13.450 -15.629 -3.027 1.00 0.00 C ATOM 1200 CE2 PHE A 71 15.366 -14.731 -1.993 1.00 0.00 C ATOM 1201 CZ PHE A 71 14.397 -15.684 -2.053 1.00 0.00 C ATOM 0 H PHE A 71 14.011 -11.081 -6.834 1.00 0.00 H new ATOM 0 HA PHE A 71 15.937 -13.033 -6.469 1.00 0.00 H new ATOM 0 HB2 PHE A 71 15.164 -11.726 -4.613 1.00 0.00 H new ATOM 0 HB3 PHE A 71 13.479 -12.029 -4.986 1.00 0.00 H new ATOM 0 HD1 PHE A 71 12.720 -14.533 -4.754 1.00 0.00 H new ATOM 0 HD2 PHE A 71 16.157 -12.923 -2.898 1.00 0.00 H new ATOM 0 HE1 PHE A 71 12.681 -16.386 -3.075 1.00 0.00 H new ATOM 0 HE2 PHE A 71 16.119 -14.774 -1.220 1.00 0.00 H new ATOM 0 HZ PHE A 71 14.380 -16.484 -1.327 1.00 0.00 H new ATOM 1211 N GLU A 72 13.096 -14.270 -7.325 1.00 0.00 N ATOM 1212 CA GLU A 72 12.390 -15.494 -7.665 1.00 0.00 C ATOM 1213 C GLU A 72 13.077 -16.195 -8.838 1.00 0.00 C ATOM 1214 O GLU A 72 13.262 -17.411 -8.817 1.00 0.00 O ATOM 1215 CB GLU A 72 10.920 -15.208 -7.982 1.00 0.00 C ATOM 1216 CG GLU A 72 10.531 -15.786 -9.344 1.00 0.00 C ATOM 1217 CD GLU A 72 9.028 -15.637 -9.594 1.00 0.00 C ATOM 1218 OE1 GLU A 72 8.277 -16.477 -9.052 1.00 0.00 O ATOM 1219 OE2 GLU A 72 8.665 -14.687 -10.320 1.00 0.00 O ATOM 0 H GLU A 72 12.649 -13.414 -7.653 1.00 0.00 H new ATOM 0 HA GLU A 72 12.420 -16.159 -6.802 1.00 0.00 H new ATOM 0 HB2 GLU A 72 10.287 -15.638 -7.206 1.00 0.00 H new ATOM 0 HB3 GLU A 72 10.746 -14.132 -7.976 1.00 0.00 H new ATOM 0 HG2 GLU A 72 11.087 -15.277 -10.131 1.00 0.00 H new ATOM 0 HG3 GLU A 72 10.808 -16.839 -9.389 1.00 0.00 H new ATOM 1226 N ALA A 73 13.437 -15.399 -9.834 1.00 0.00 N ATOM 1227 CA ALA A 73 14.100 -15.928 -11.014 1.00 0.00 C ATOM 1228 C ALA A 73 15.545 -16.287 -10.663 1.00 0.00 C ATOM 1229 O ALA A 73 16.086 -17.268 -11.171 1.00 0.00 O ATOM 1230 CB ALA A 73 14.012 -14.908 -12.150 1.00 0.00 C ATOM 0 H ALA A 73 13.282 -14.391 -9.848 1.00 0.00 H new ATOM 0 HA ALA A 73 13.607 -16.838 -11.355 1.00 0.00 H new ATOM 0 HB1 ALA A 73 14.509 -15.305 -13.035 1.00 0.00 H new ATOM 0 HB2 ALA A 73 12.965 -14.709 -12.380 1.00 0.00 H new ATOM 0 HB3 ALA A 73 14.499 -13.981 -11.845 1.00 0.00 H new ATOM 1236 N HIS A 74 16.130 -15.473 -9.796 1.00 0.00 N ATOM 1237 CA HIS A 74 17.502 -15.693 -9.372 1.00 0.00 C ATOM 1238 C HIS A 74 17.591 -16.997 -8.577 1.00 0.00 C ATOM 1239 O HIS A 74 18.683 -17.515 -8.348 1.00 0.00 O ATOM 1240 CB HIS A 74 18.029 -14.486 -8.592 1.00 0.00 C ATOM 1241 CG HIS A 74 19.518 -14.275 -8.721 1.00 0.00 C ATOM 1242 ND1 HIS A 74 20.423 -14.708 -7.767 1.00 0.00 N ATOM 1243 CD2 HIS A 74 20.252 -13.673 -9.701 1.00 0.00 C ATOM 1244 CE1 HIS A 74 21.642 -14.376 -8.165 1.00 0.00 C ATOM 1245 NE2 HIS A 74 21.534 -13.734 -9.363 1.00 0.00 N ATOM 0 H HIS A 74 15.679 -14.660 -9.376 1.00 0.00 H new ATOM 0 HA HIS A 74 18.145 -15.797 -10.246 1.00 0.00 H new ATOM 0 HB2 HIS A 74 17.514 -13.590 -8.938 1.00 0.00 H new ATOM 0 HB3 HIS A 74 17.780 -14.610 -7.538 1.00 0.00 H new ATOM 0 HD2 HIS A 74 19.857 -13.223 -10.600 1.00 0.00 H new ATOM 0 HE1 HIS A 74 22.560 -14.578 -7.634 1.00 0.00 H new ATOM 0 HE2 HIS A 74 22.311 -13.362 -9.910 1.00 0.00 H new ATOM 1253 N LYS A 75 16.427 -17.490 -8.179 1.00 0.00 N ATOM 1254 CA LYS A 75 16.360 -18.724 -7.414 1.00 0.00 C ATOM 1255 C LYS A 75 15.900 -19.861 -8.329 1.00 0.00 C ATOM 1256 O LYS A 75 15.485 -20.917 -7.853 1.00 0.00 O ATOM 1257 CB LYS A 75 15.483 -18.539 -6.174 1.00 0.00 C ATOM 1258 CG LYS A 75 14.100 -19.159 -6.383 1.00 0.00 C ATOM 1259 CD LYS A 75 13.086 -18.583 -5.393 1.00 0.00 C ATOM 1260 CE LYS A 75 11.688 -18.523 -6.012 1.00 0.00 C ATOM 1261 NZ LYS A 75 10.943 -19.771 -5.732 1.00 0.00 N ATOM 0 H LYS A 75 15.523 -17.058 -8.372 1.00 0.00 H new ATOM 0 HA LYS A 75 17.347 -18.995 -7.040 1.00 0.00 H new ATOM 0 HB2 LYS A 75 15.965 -18.999 -5.311 1.00 0.00 H new ATOM 0 HB3 LYS A 75 15.380 -17.477 -5.953 1.00 0.00 H new ATOM 0 HG2 LYS A 75 13.764 -18.972 -7.403 1.00 0.00 H new ATOM 0 HG3 LYS A 75 14.160 -20.240 -6.260 1.00 0.00 H new ATOM 0 HD2 LYS A 75 13.063 -19.197 -4.492 1.00 0.00 H new ATOM 0 HD3 LYS A 75 13.396 -17.583 -5.089 1.00 0.00 H new ATOM 0 HE2 LYS A 75 11.142 -17.669 -5.611 1.00 0.00 H new ATOM 0 HE3 LYS A 75 11.767 -18.373 -7.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 9.996 -19.714 -6.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 11.457 -20.580 -6.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 10.852 -19.898 -4.704 1.00 0.00 H new ATOM 1275 N VAL A 76 15.988 -19.606 -9.626 1.00 0.00 N ATOM 1276 CA VAL A 76 15.585 -20.595 -10.612 1.00 0.00 C ATOM 1277 C VAL A 76 16.739 -20.835 -11.588 1.00 0.00 C ATOM 1278 O VAL A 76 17.012 -21.974 -11.964 1.00 0.00 O ATOM 1279 CB VAL A 76 14.298 -20.147 -11.307 1.00 0.00 C ATOM 1280 CG1 VAL A 76 13.670 -21.299 -12.094 1.00 0.00 C ATOM 1281 CG2 VAL A 76 13.304 -19.566 -10.299 1.00 0.00 C ATOM 0 H VAL A 76 16.332 -18.729 -10.017 1.00 0.00 H new ATOM 0 HA VAL A 76 15.363 -21.547 -10.130 1.00 0.00 H new ATOM 0 HB VAL A 76 14.557 -19.359 -12.015 1.00 0.00 H new ATOM 0 HG11 VAL A 76 12.757 -20.954 -12.578 1.00 0.00 H new ATOM 0 HG12 VAL A 76 14.372 -21.648 -12.851 1.00 0.00 H new ATOM 0 HG13 VAL A 76 13.433 -22.117 -11.414 1.00 0.00 H new ATOM 0 HG21 VAL A 76 12.398 -19.255 -10.819 1.00 0.00 H new ATOM 0 HG22 VAL A 76 13.054 -20.324 -9.556 1.00 0.00 H new ATOM 0 HG23 VAL A 76 13.751 -18.705 -9.803 1.00 0.00 H new ATOM 1291 N LEU A 77 17.385 -19.744 -11.970 1.00 0.00 N ATOM 1292 CA LEU A 77 18.504 -19.821 -12.895 1.00 0.00 C ATOM 1293 C LEU A 77 19.789 -19.418 -12.169 1.00 0.00 C ATOM 1294 O LEU A 77 20.592 -20.273 -11.800 1.00 0.00 O ATOM 1295 CB LEU A 77 18.220 -18.993 -14.150 1.00 0.00 C ATOM 1296 CG LEU A 77 16.745 -18.813 -14.515 1.00 0.00 C ATOM 1297 CD1 LEU A 77 16.296 -17.368 -14.285 1.00 0.00 C ATOM 1298 CD2 LEU A 77 16.474 -19.277 -15.947 1.00 0.00 C ATOM 0 H LEU A 77 17.155 -18.801 -11.656 1.00 0.00 H new ATOM 0 HA LEU A 77 18.642 -20.845 -13.242 1.00 0.00 H new ATOM 0 HB2 LEU A 77 18.664 -18.006 -14.019 1.00 0.00 H new ATOM 0 HB3 LEU A 77 18.728 -19.462 -14.993 1.00 0.00 H new ATOM 0 HG LEU A 77 16.150 -19.444 -13.855 1.00 0.00 H new ATOM 0 HD11 LEU A 77 15.244 -17.267 -14.552 1.00 0.00 H new ATOM 0 HD12 LEU A 77 16.430 -17.108 -13.235 1.00 0.00 H new ATOM 0 HD13 LEU A 77 16.893 -16.698 -14.904 1.00 0.00 H new ATOM 0 HD21 LEU A 77 15.418 -19.138 -16.181 1.00 0.00 H new ATOM 0 HD22 LEU A 77 17.079 -18.692 -16.640 1.00 0.00 H new ATOM 0 HD23 LEU A 77 16.731 -20.332 -16.042 1.00 0.00 H new ATOM 1310 N GLY A 78 19.943 -18.114 -11.987 1.00 0.00 N ATOM 1311 CA GLY A 78 21.117 -17.587 -11.313 1.00 0.00 C ATOM 1312 C GLY A 78 21.337 -16.114 -11.666 1.00 0.00 C ATOM 1313 O GLY A 78 20.449 -15.286 -11.469 1.00 0.00 O ATOM 0 H GLY A 78 19.274 -17.408 -12.295 1.00 0.00 H new ATOM 0 HA2 GLY A 78 21.000 -17.693 -10.234 1.00 0.00 H new ATOM 0 HA3 GLY A 78 21.995 -18.168 -11.596 1.00 0.00 H new ATOM 1317 N ASN A 79 22.524 -15.834 -12.181 1.00 0.00 N ATOM 1318 CA ASN A 79 22.872 -14.476 -12.563 1.00 0.00 C ATOM 1319 C ASN A 79 22.470 -14.242 -14.021 1.00 0.00 C ATOM 1320 O ASN A 79 22.996 -13.344 -14.677 1.00 0.00 O ATOM 1321 CB ASN A 79 24.379 -14.239 -12.445 1.00 0.00 C ATOM 1322 CG ASN A 79 25.109 -15.529 -12.067 1.00 0.00 C ATOM 1323 OD1 ASN A 79 24.881 -16.119 -11.024 1.00 0.00 O ATOM 1324 ND2 ASN A 79 25.997 -15.933 -12.971 1.00 0.00 N ATOM 0 H ASN A 79 23.257 -16.524 -12.343 1.00 0.00 H new ATOM 0 HA ASN A 79 22.346 -13.793 -11.896 1.00 0.00 H new ATOM 0 HB2 ASN A 79 24.767 -13.862 -13.391 1.00 0.00 H new ATOM 0 HB3 ASN A 79 24.573 -13.474 -11.693 1.00 0.00 H new ATOM 0 HD21 ASN A 79 26.536 -16.784 -12.812 1.00 0.00 H new ATOM 0 HD22 ASN A 79 26.139 -15.392 -13.824 1.00 0.00 H new ATOM 1331 N ARG A 80 21.541 -15.065 -14.484 1.00 0.00 N ATOM 1332 CA ARG A 80 21.062 -14.959 -15.852 1.00 0.00 C ATOM 1333 C ARG A 80 20.200 -13.706 -16.017 1.00 0.00 C ATOM 1334 O ARG A 80 19.044 -13.793 -16.427 1.00 0.00 O ATOM 1335 CB ARG A 80 20.241 -16.189 -16.245 1.00 0.00 C ATOM 1336 CG ARG A 80 21.093 -17.188 -17.031 1.00 0.00 C ATOM 1337 CD ARG A 80 21.290 -18.483 -16.239 1.00 0.00 C ATOM 1338 NE ARG A 80 21.282 -19.643 -17.158 1.00 0.00 N ATOM 1339 CZ ARG A 80 21.861 -20.821 -16.886 1.00 0.00 C ATOM 1340 NH1 ARG A 80 22.498 -21.001 -15.721 1.00 0.00 N ATOM 1341 NH2 ARG A 80 21.804 -21.818 -17.779 1.00 0.00 N ATOM 0 H ARG A 80 21.107 -15.808 -13.936 1.00 0.00 H new ATOM 0 HA ARG A 80 21.933 -14.894 -16.504 1.00 0.00 H new ATOM 0 HB2 ARG A 80 19.846 -16.668 -15.349 1.00 0.00 H new ATOM 0 HB3 ARG A 80 19.385 -15.883 -16.847 1.00 0.00 H new ATOM 0 HG2 ARG A 80 20.613 -17.410 -17.984 1.00 0.00 H new ATOM 0 HG3 ARG A 80 22.063 -16.745 -17.258 1.00 0.00 H new ATOM 0 HD2 ARG A 80 22.233 -18.446 -15.694 1.00 0.00 H new ATOM 0 HD3 ARG A 80 20.498 -18.590 -15.498 1.00 0.00 H new ATOM 0 HE ARG A 80 20.806 -19.540 -18.054 1.00 0.00 H new ATOM 0 HH11 ARG A 80 22.542 -20.242 -15.041 1.00 0.00 H new ATOM 0 HH12 ARG A 80 22.939 -21.897 -15.514 1.00 0.00 H new ATOM 0 HH21 ARG A 80 21.320 -21.681 -18.666 1.00 0.00 H new ATOM 0 HH22 ARG A 80 22.245 -22.714 -17.572 1.00 0.00 H new ATOM 1355 N TRP A 81 20.796 -12.569 -15.688 1.00 0.00 N ATOM 1356 CA TRP A 81 20.096 -11.300 -15.795 1.00 0.00 C ATOM 1357 C TRP A 81 19.504 -11.203 -17.202 1.00 0.00 C ATOM 1358 O TRP A 81 18.424 -10.644 -17.387 1.00 0.00 O ATOM 1359 CB TRP A 81 21.025 -10.132 -15.456 1.00 0.00 C ATOM 1360 CG TRP A 81 22.036 -10.441 -14.350 1.00 0.00 C ATOM 1361 CD1 TRP A 81 23.370 -10.522 -14.450 1.00 0.00 C ATOM 1362 CD2 TRP A 81 21.738 -10.710 -12.963 1.00 0.00 C ATOM 1363 NE1 TRP A 81 23.951 -10.821 -13.235 1.00 0.00 N ATOM 1364 CE2 TRP A 81 22.927 -10.939 -12.302 1.00 0.00 C ATOM 1365 CE3 TRP A 81 20.504 -10.757 -12.291 1.00 0.00 C ATOM 1366 CZ2 TRP A 81 23.000 -11.232 -10.935 1.00 0.00 C ATOM 1367 CZ3 TRP A 81 20.594 -11.051 -10.925 1.00 0.00 C ATOM 1368 CH2 TRP A 81 21.783 -11.285 -10.244 1.00 0.00 C ATOM 0 H TRP A 81 21.755 -12.500 -15.348 1.00 0.00 H new ATOM 0 HA TRP A 81 19.283 -11.246 -15.071 1.00 0.00 H new ATOM 0 HB2 TRP A 81 21.565 -9.838 -16.356 1.00 0.00 H new ATOM 0 HB3 TRP A 81 20.421 -9.277 -15.153 1.00 0.00 H new ATOM 0 HD1 TRP A 81 23.921 -10.372 -15.367 1.00 0.00 H new ATOM 0 HE1 TRP A 81 24.948 -10.935 -13.054 1.00 0.00 H new ATOM 0 HE3 TRP A 81 19.562 -10.580 -12.789 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 23.944 -11.408 -10.440 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 19.675 -11.099 -10.361 1.00 0.00 H new ATOM 0 HH2 TRP A 81 21.768 -11.507 -9.187 1.00 0.00 H new ATOM 1379 N ALA A 82 20.236 -11.757 -18.157 1.00 0.00 N ATOM 1380 CA ALA A 82 19.796 -11.740 -19.542 1.00 0.00 C ATOM 1381 C ALA A 82 18.450 -12.458 -19.653 1.00 0.00 C ATOM 1382 O ALA A 82 17.663 -12.173 -20.555 1.00 0.00 O ATOM 1383 CB ALA A 82 20.871 -12.375 -20.427 1.00 0.00 C ATOM 0 H ALA A 82 21.131 -12.220 -17.999 1.00 0.00 H new ATOM 0 HA ALA A 82 19.653 -10.716 -19.887 1.00 0.00 H new ATOM 0 HB1 ALA A 82 20.541 -12.362 -21.466 1.00 0.00 H new ATOM 0 HB2 ALA A 82 21.799 -11.811 -20.334 1.00 0.00 H new ATOM 0 HB3 ALA A 82 21.040 -13.405 -20.112 1.00 0.00 H new ATOM 1389 N GLU A 83 18.226 -13.376 -18.724 1.00 0.00 N ATOM 1390 CA GLU A 83 16.989 -14.137 -18.707 1.00 0.00 C ATOM 1391 C GLU A 83 16.131 -13.728 -17.508 1.00 0.00 C ATOM 1392 O GLU A 83 14.924 -13.966 -17.494 1.00 0.00 O ATOM 1393 CB GLU A 83 17.270 -15.641 -18.693 1.00 0.00 C ATOM 1394 CG GLU A 83 17.043 -16.228 -17.298 1.00 0.00 C ATOM 1395 CD GLU A 83 15.556 -16.491 -17.050 1.00 0.00 C ATOM 1396 OE1 GLU A 83 14.983 -17.286 -17.825 1.00 0.00 O ATOM 1397 OE2 GLU A 83 15.026 -15.890 -16.090 1.00 0.00 O ATOM 0 H GLU A 83 18.881 -13.610 -17.978 1.00 0.00 H new ATOM 0 HA GLU A 83 16.435 -13.913 -19.619 1.00 0.00 H new ATOM 0 HB2 GLU A 83 16.622 -16.142 -19.412 1.00 0.00 H new ATOM 0 HB3 GLU A 83 18.298 -15.826 -19.006 1.00 0.00 H new ATOM 0 HG2 GLU A 83 17.603 -17.158 -17.195 1.00 0.00 H new ATOM 0 HG3 GLU A 83 17.425 -15.541 -16.543 1.00 0.00 H new ATOM 1404 N ILE A 84 16.788 -13.121 -16.531 1.00 0.00 N ATOM 1405 CA ILE A 84 16.100 -12.677 -15.330 1.00 0.00 C ATOM 1406 C ILE A 84 15.185 -11.501 -15.677 1.00 0.00 C ATOM 1407 O ILE A 84 14.019 -11.480 -15.284 1.00 0.00 O ATOM 1408 CB ILE A 84 17.107 -12.367 -14.220 1.00 0.00 C ATOM 1409 CG1 ILE A 84 16.841 -13.226 -12.982 1.00 0.00 C ATOM 1410 CG2 ILE A 84 17.115 -10.873 -13.890 1.00 0.00 C ATOM 1411 CD1 ILE A 84 17.586 -14.559 -13.070 1.00 0.00 C ATOM 0 H ILE A 84 17.789 -12.926 -16.546 1.00 0.00 H new ATOM 0 HA ILE A 84 15.464 -13.471 -14.939 1.00 0.00 H new ATOM 0 HB ILE A 84 18.103 -12.623 -14.581 1.00 0.00 H new ATOM 0 HG12 ILE A 84 17.155 -12.688 -12.087 1.00 0.00 H new ATOM 0 HG13 ILE A 84 15.771 -13.409 -12.885 1.00 0.00 H new ATOM 0 HG21 ILE A 84 17.839 -10.679 -13.098 1.00 0.00 H new ATOM 0 HG22 ILE A 84 17.389 -10.305 -14.779 1.00 0.00 H new ATOM 0 HG23 ILE A 84 16.123 -10.569 -13.557 1.00 0.00 H new ATOM 0 HD11 ILE A 84 17.380 -15.151 -12.178 1.00 0.00 H new ATOM 0 HD12 ILE A 84 17.252 -15.105 -13.952 1.00 0.00 H new ATOM 0 HD13 ILE A 84 18.658 -14.373 -13.142 1.00 0.00 H new ATOM 1423 N ALA A 85 15.747 -10.551 -16.409 1.00 0.00 N ATOM 1424 CA ALA A 85 14.996 -9.375 -16.814 1.00 0.00 C ATOM 1425 C ALA A 85 13.860 -9.797 -17.748 1.00 0.00 C ATOM 1426 O ALA A 85 12.824 -9.136 -17.809 1.00 0.00 O ATOM 1427 CB ALA A 85 15.942 -8.364 -17.465 1.00 0.00 C ATOM 0 H ALA A 85 16.714 -10.572 -16.732 1.00 0.00 H new ATOM 0 HA ALA A 85 14.547 -8.889 -15.948 1.00 0.00 H new ATOM 0 HB1 ALA A 85 15.379 -7.482 -17.769 1.00 0.00 H new ATOM 0 HB2 ALA A 85 16.712 -8.074 -16.750 1.00 0.00 H new ATOM 0 HB3 ALA A 85 16.410 -8.815 -18.340 1.00 0.00 H new ATOM 1433 N LYS A 86 14.093 -10.894 -18.452 1.00 0.00 N ATOM 1434 CA LYS A 86 13.101 -11.412 -19.380 1.00 0.00 C ATOM 1435 C LYS A 86 11.840 -11.803 -18.607 1.00 0.00 C ATOM 1436 O LYS A 86 10.746 -11.826 -19.169 1.00 0.00 O ATOM 1437 CB LYS A 86 13.691 -12.553 -20.212 1.00 0.00 C ATOM 1438 CG LYS A 86 14.436 -12.012 -21.434 1.00 0.00 C ATOM 1439 CD LYS A 86 14.838 -13.148 -22.377 1.00 0.00 C ATOM 1440 CE LYS A 86 14.272 -12.920 -23.781 1.00 0.00 C ATOM 1441 NZ LYS A 86 14.506 -14.108 -24.633 1.00 0.00 N ATOM 0 H LYS A 86 14.954 -11.439 -18.399 1.00 0.00 H new ATOM 0 HA LYS A 86 12.810 -10.643 -20.096 1.00 0.00 H new ATOM 0 HB2 LYS A 86 14.372 -13.141 -19.597 1.00 0.00 H new ATOM 0 HB3 LYS A 86 12.894 -13.223 -20.535 1.00 0.00 H new ATOM 0 HG2 LYS A 86 13.803 -11.300 -21.965 1.00 0.00 H new ATOM 0 HG3 LYS A 86 15.325 -11.470 -21.112 1.00 0.00 H new ATOM 0 HD2 LYS A 86 15.925 -13.218 -22.426 1.00 0.00 H new ATOM 0 HD3 LYS A 86 14.475 -14.098 -21.984 1.00 0.00 H new ATOM 0 HE2 LYS A 86 13.203 -12.714 -23.720 1.00 0.00 H new ATOM 0 HE3 LYS A 86 14.740 -12.045 -24.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 14.116 -13.937 -25.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 15.528 -14.287 -24.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 14.039 -14.936 -24.211 1.00 0.00 H new ATOM 1455 N LEU A 87 12.035 -12.099 -17.330 1.00 0.00 N ATOM 1456 CA LEU A 87 10.927 -12.487 -16.475 1.00 0.00 C ATOM 1457 C LEU A 87 10.161 -11.236 -16.041 1.00 0.00 C ATOM 1458 O LEU A 87 9.190 -11.327 -15.290 1.00 0.00 O ATOM 1459 CB LEU A 87 11.425 -13.339 -15.306 1.00 0.00 C ATOM 1460 CG LEU A 87 10.954 -14.795 -15.288 1.00 0.00 C ATOM 1461 CD1 LEU A 87 12.141 -15.756 -15.363 1.00 0.00 C ATOM 1462 CD2 LEU A 87 10.069 -15.069 -14.070 1.00 0.00 C ATOM 0 H LEU A 87 12.944 -12.078 -16.867 1.00 0.00 H new ATOM 0 HA LEU A 87 10.226 -13.117 -17.023 1.00 0.00 H new ATOM 0 HB2 LEU A 87 12.515 -13.331 -15.315 1.00 0.00 H new ATOM 0 HB3 LEU A 87 11.110 -12.865 -14.377 1.00 0.00 H new ATOM 0 HG LEU A 87 10.344 -14.969 -16.175 1.00 0.00 H new ATOM 0 HD11 LEU A 87 11.778 -16.784 -15.349 1.00 0.00 H new ATOM 0 HD12 LEU A 87 12.694 -15.579 -16.285 1.00 0.00 H new ATOM 0 HD13 LEU A 87 12.797 -15.591 -14.509 1.00 0.00 H new ATOM 0 HD21 LEU A 87 9.748 -16.110 -14.081 1.00 0.00 H new ATOM 0 HD22 LEU A 87 10.634 -14.873 -13.158 1.00 0.00 H new ATOM 0 HD23 LEU A 87 9.195 -14.419 -14.102 1.00 0.00 H new ATOM 1474 N LEU A 88 10.625 -10.096 -16.532 1.00 0.00 N ATOM 1475 CA LEU A 88 9.996 -8.828 -16.204 1.00 0.00 C ATOM 1476 C LEU A 88 9.358 -8.240 -17.464 1.00 0.00 C ATOM 1477 O LEU A 88 9.708 -8.624 -18.579 1.00 0.00 O ATOM 1478 CB LEU A 88 10.999 -7.891 -15.528 1.00 0.00 C ATOM 1479 CG LEU A 88 11.274 -8.159 -14.047 1.00 0.00 C ATOM 1480 CD1 LEU A 88 12.580 -7.497 -13.603 1.00 0.00 C ATOM 1481 CD2 LEU A 88 10.089 -7.727 -13.182 1.00 0.00 C ATOM 0 H LEU A 88 11.430 -10.024 -17.155 1.00 0.00 H new ATOM 0 HA LEU A 88 9.195 -8.976 -15.479 1.00 0.00 H new ATOM 0 HB2 LEU A 88 11.943 -7.950 -16.069 1.00 0.00 H new ATOM 0 HB3 LEU A 88 10.637 -6.868 -15.631 1.00 0.00 H new ATOM 0 HG LEU A 88 11.396 -9.234 -13.912 1.00 0.00 H new ATOM 0 HD11 LEU A 88 12.752 -7.703 -12.546 1.00 0.00 H new ATOM 0 HD12 LEU A 88 13.408 -7.896 -14.190 1.00 0.00 H new ATOM 0 HD13 LEU A 88 12.512 -6.420 -13.756 1.00 0.00 H new ATOM 0 HD21 LEU A 88 10.311 -7.929 -12.134 1.00 0.00 H new ATOM 0 HD22 LEU A 88 9.910 -6.660 -13.316 1.00 0.00 H new ATOM 0 HD23 LEU A 88 9.200 -8.284 -13.478 1.00 0.00 H new ATOM 1493 N PRO A 89 8.408 -7.293 -17.239 1.00 0.00 N ATOM 1494 CA PRO A 89 7.717 -6.648 -18.342 1.00 0.00 C ATOM 1495 C PRO A 89 8.622 -5.625 -19.032 1.00 0.00 C ATOM 1496 O PRO A 89 8.220 -4.994 -20.008 1.00 0.00 O ATOM 1497 CB PRO A 89 6.480 -6.022 -17.720 1.00 0.00 C ATOM 1498 CG PRO A 89 6.759 -5.940 -16.228 1.00 0.00 C ATOM 1499 CD PRO A 89 7.967 -6.814 -15.932 1.00 0.00 C ATOM 0 HA PRO A 89 7.439 -7.347 -19.131 1.00 0.00 H new ATOM 0 HB2 PRO A 89 6.291 -5.033 -18.137 1.00 0.00 H new ATOM 0 HB3 PRO A 89 5.595 -6.626 -17.919 1.00 0.00 H new ATOM 0 HG2 PRO A 89 6.952 -4.909 -15.932 1.00 0.00 H new ATOM 0 HG3 PRO A 89 5.894 -6.279 -15.658 1.00 0.00 H new ATOM 0 HD2 PRO A 89 8.753 -6.247 -15.432 1.00 0.00 H new ATOM 0 HD3 PRO A 89 7.704 -7.643 -15.275 1.00 0.00 H new ATOM 1507 N GLY A 90 9.828 -5.494 -18.498 1.00 0.00 N ATOM 1508 CA GLY A 90 10.793 -4.558 -19.050 1.00 0.00 C ATOM 1509 C GLY A 90 12.174 -4.764 -18.426 1.00 0.00 C ATOM 1510 O GLY A 90 12.632 -5.896 -18.282 1.00 0.00 O ATOM 0 H GLY A 90 10.159 -6.020 -17.689 1.00 0.00 H new ATOM 0 HA2 GLY A 90 10.855 -4.689 -20.130 1.00 0.00 H new ATOM 0 HA3 GLY A 90 10.458 -3.536 -18.871 1.00 0.00 H new ATOM 1514 N ARG A 91 12.800 -3.651 -18.072 1.00 0.00 N ATOM 1515 CA ARG A 91 14.120 -3.695 -17.467 1.00 0.00 C ATOM 1516 C ARG A 91 15.091 -4.462 -18.367 1.00 0.00 C ATOM 1517 O ARG A 91 14.670 -5.161 -19.287 1.00 0.00 O ATOM 1518 CB ARG A 91 14.074 -4.363 -16.091 1.00 0.00 C ATOM 1519 CG ARG A 91 13.440 -3.436 -15.052 1.00 0.00 C ATOM 1520 CD ARG A 91 14.283 -2.174 -14.858 1.00 0.00 C ATOM 1521 NE ARG A 91 14.120 -1.664 -13.478 1.00 0.00 N ATOM 1522 CZ ARG A 91 14.854 -0.675 -12.951 1.00 0.00 C ATOM 1523 NH1 ARG A 91 15.806 -0.083 -13.685 1.00 0.00 N ATOM 1524 NH2 ARG A 91 14.636 -0.277 -11.690 1.00 0.00 N ATOM 0 H ARG A 91 12.417 -2.713 -18.193 1.00 0.00 H new ATOM 0 HA ARG A 91 14.464 -2.668 -17.348 1.00 0.00 H new ATOM 0 HB2 ARG A 91 13.504 -5.290 -16.152 1.00 0.00 H new ATOM 0 HB3 ARG A 91 15.084 -4.629 -15.778 1.00 0.00 H new ATOM 0 HG2 ARG A 91 12.434 -3.161 -15.370 1.00 0.00 H new ATOM 0 HG3 ARG A 91 13.341 -3.962 -14.102 1.00 0.00 H new ATOM 0 HD2 ARG A 91 15.333 -2.395 -15.051 1.00 0.00 H new ATOM 0 HD3 ARG A 91 13.980 -1.411 -15.575 1.00 0.00 H new ATOM 0 HE ARG A 91 13.404 -2.092 -12.892 1.00 0.00 H new ATOM 0 HH11 ARG A 91 15.972 -0.385 -14.645 1.00 0.00 H new ATOM 0 HH12 ARG A 91 16.365 0.670 -13.284 1.00 0.00 H new ATOM 0 HH21 ARG A 91 13.911 -0.727 -11.131 1.00 0.00 H new ATOM 0 HH22 ARG A 91 15.195 0.476 -11.289 1.00 0.00 H new ATOM 1538 N THR A 92 16.373 -4.306 -18.069 1.00 0.00 N ATOM 1539 CA THR A 92 17.407 -4.975 -18.839 1.00 0.00 C ATOM 1540 C THR A 92 18.228 -5.901 -17.939 1.00 0.00 C ATOM 1541 O THR A 92 17.939 -6.033 -16.750 1.00 0.00 O ATOM 1542 CB THR A 92 18.248 -3.903 -19.534 1.00 0.00 C ATOM 1543 OG1 THR A 92 18.359 -2.865 -18.564 1.00 0.00 O ATOM 1544 CG2 THR A 92 17.509 -3.244 -20.701 1.00 0.00 C ATOM 0 H THR A 92 16.719 -3.726 -17.305 1.00 0.00 H new ATOM 0 HA THR A 92 16.974 -5.618 -19.606 1.00 0.00 H new ATOM 0 HB THR A 92 19.175 -4.348 -19.896 1.00 0.00 H new ATOM 0 HG1 THR A 92 18.892 -2.129 -18.932 1.00 0.00 H new ATOM 0 HG21 THR A 92 18.150 -2.491 -21.159 1.00 0.00 H new ATOM 0 HG22 THR A 92 17.251 -4.001 -21.442 1.00 0.00 H new ATOM 0 HG23 THR A 92 16.598 -2.770 -20.334 1.00 0.00 H new ATOM 1552 N ASP A 93 19.234 -6.520 -18.540 1.00 0.00 N ATOM 1553 CA ASP A 93 20.098 -7.430 -17.808 1.00 0.00 C ATOM 1554 C ASP A 93 21.001 -6.625 -16.871 1.00 0.00 C ATOM 1555 O ASP A 93 21.192 -6.999 -15.715 1.00 0.00 O ATOM 1556 CB ASP A 93 20.993 -8.226 -18.760 1.00 0.00 C ATOM 1557 CG ASP A 93 21.819 -7.379 -19.730 1.00 0.00 C ATOM 1558 OD1 ASP A 93 21.245 -6.982 -20.767 1.00 0.00 O ATOM 1559 OD2 ASP A 93 23.006 -7.148 -19.412 1.00 0.00 O ATOM 0 H ASP A 93 19.470 -6.409 -19.526 1.00 0.00 H new ATOM 0 HA ASP A 93 19.466 -8.119 -17.248 1.00 0.00 H new ATOM 0 HB2 ASP A 93 21.672 -8.840 -18.168 1.00 0.00 H new ATOM 0 HB3 ASP A 93 20.368 -8.908 -19.337 1.00 0.00 H new ATOM 1564 N ASN A 94 21.533 -5.536 -17.405 1.00 0.00 N ATOM 1565 CA ASN A 94 22.412 -4.675 -16.631 1.00 0.00 C ATOM 1566 C ASN A 94 21.596 -3.955 -15.556 1.00 0.00 C ATOM 1567 O ASN A 94 22.159 -3.381 -14.625 1.00 0.00 O ATOM 1568 CB ASN A 94 23.066 -3.614 -17.519 1.00 0.00 C ATOM 1569 CG ASN A 94 24.584 -3.799 -17.567 1.00 0.00 C ATOM 1570 OD1 ASN A 94 25.232 -4.086 -16.574 1.00 0.00 O ATOM 1571 ND2 ASN A 94 25.112 -3.619 -18.774 1.00 0.00 N ATOM 0 H ASN A 94 21.373 -5.230 -18.365 1.00 0.00 H new ATOM 0 HA ASN A 94 23.187 -5.298 -16.184 1.00 0.00 H new ATOM 0 HB2 ASN A 94 22.656 -3.676 -18.527 1.00 0.00 H new ATOM 0 HB3 ASN A 94 22.829 -2.620 -17.139 1.00 0.00 H new ATOM 0 HD21 ASN A 94 26.118 -3.720 -18.911 1.00 0.00 H new ATOM 0 HD22 ASN A 94 24.511 -3.380 -19.563 1.00 0.00 H new ATOM 1578 N ALA A 95 20.282 -4.008 -15.721 1.00 0.00 N ATOM 1579 CA ALA A 95 19.383 -3.367 -14.776 1.00 0.00 C ATOM 1580 C ALA A 95 19.289 -4.220 -13.509 1.00 0.00 C ATOM 1581 O ALA A 95 19.687 -3.782 -12.431 1.00 0.00 O ATOM 1582 CB ALA A 95 18.020 -3.151 -15.435 1.00 0.00 C ATOM 0 H ALA A 95 19.819 -4.485 -16.495 1.00 0.00 H new ATOM 0 HA ALA A 95 19.765 -2.388 -14.487 1.00 0.00 H new ATOM 0 HB1 ALA A 95 17.345 -2.670 -14.727 1.00 0.00 H new ATOM 0 HB2 ALA A 95 18.137 -2.516 -16.313 1.00 0.00 H new ATOM 0 HB3 ALA A 95 17.605 -4.113 -15.736 1.00 0.00 H new ATOM 1588 N VAL A 96 18.761 -5.423 -13.682 1.00 0.00 N ATOM 1589 CA VAL A 96 18.610 -6.342 -12.566 1.00 0.00 C ATOM 1590 C VAL A 96 19.986 -6.635 -11.963 1.00 0.00 C ATOM 1591 O VAL A 96 20.177 -6.507 -10.754 1.00 0.00 O ATOM 1592 CB VAL A 96 17.877 -7.604 -13.023 1.00 0.00 C ATOM 1593 CG1 VAL A 96 17.693 -8.582 -11.861 1.00 0.00 C ATOM 1594 CG2 VAL A 96 16.532 -7.255 -13.664 1.00 0.00 C ATOM 0 H VAL A 96 18.432 -5.783 -14.578 1.00 0.00 H new ATOM 0 HA VAL A 96 18.000 -5.894 -11.782 1.00 0.00 H new ATOM 0 HB VAL A 96 18.491 -8.093 -13.779 1.00 0.00 H new ATOM 0 HG11 VAL A 96 17.169 -9.471 -12.213 1.00 0.00 H new ATOM 0 HG12 VAL A 96 18.669 -8.868 -11.468 1.00 0.00 H new ATOM 0 HG13 VAL A 96 17.110 -8.105 -11.073 1.00 0.00 H new ATOM 0 HG21 VAL A 96 16.031 -8.170 -13.980 1.00 0.00 H new ATOM 0 HG22 VAL A 96 15.908 -6.732 -12.939 1.00 0.00 H new ATOM 0 HG23 VAL A 96 16.697 -6.614 -14.530 1.00 0.00 H new ATOM 1604 N LYS A 97 20.907 -7.022 -12.832 1.00 0.00 N ATOM 1605 CA LYS A 97 22.259 -7.334 -12.400 1.00 0.00 C ATOM 1606 C LYS A 97 22.728 -6.274 -11.402 1.00 0.00 C ATOM 1607 O LYS A 97 23.106 -6.599 -10.277 1.00 0.00 O ATOM 1608 CB LYS A 97 23.184 -7.493 -13.608 1.00 0.00 C ATOM 1609 CG LYS A 97 24.606 -7.846 -13.167 1.00 0.00 C ATOM 1610 CD LYS A 97 25.510 -8.092 -14.377 1.00 0.00 C ATOM 1611 CE LYS A 97 25.861 -6.778 -15.076 1.00 0.00 C ATOM 1612 NZ LYS A 97 27.278 -6.426 -14.838 1.00 0.00 N ATOM 0 H LYS A 97 20.744 -7.127 -13.833 1.00 0.00 H new ATOM 0 HA LYS A 97 22.282 -8.293 -11.882 1.00 0.00 H new ATOM 0 HB2 LYS A 97 22.799 -8.273 -14.265 1.00 0.00 H new ATOM 0 HB3 LYS A 97 23.197 -6.568 -14.185 1.00 0.00 H new ATOM 0 HG2 LYS A 97 25.014 -7.037 -12.562 1.00 0.00 H new ATOM 0 HG3 LYS A 97 24.585 -8.735 -12.537 1.00 0.00 H new ATOM 0 HD2 LYS A 97 26.424 -8.593 -14.057 1.00 0.00 H new ATOM 0 HD3 LYS A 97 25.010 -8.759 -15.079 1.00 0.00 H new ATOM 0 HE2 LYS A 97 25.678 -6.869 -16.147 1.00 0.00 H new ATOM 0 HE3 LYS A 97 25.215 -5.980 -14.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 27.499 -5.531 -15.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 27.442 -6.319 -13.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 27.890 -7.180 -15.210 1.00 0.00 H new ATOM 1626 N ASN A 98 22.689 -5.027 -11.849 1.00 0.00 N ATOM 1627 CA ASN A 98 23.106 -3.918 -11.008 1.00 0.00 C ATOM 1628 C ASN A 98 22.196 -3.844 -9.780 1.00 0.00 C ATOM 1629 O ASN A 98 22.653 -3.528 -8.683 1.00 0.00 O ATOM 1630 CB ASN A 98 22.997 -2.588 -11.757 1.00 0.00 C ATOM 1631 CG ASN A 98 23.975 -1.558 -11.191 1.00 0.00 C ATOM 1632 OD1 ASN A 98 23.815 -1.049 -10.094 1.00 0.00 O ATOM 1633 ND2 ASN A 98 24.995 -1.280 -11.998 1.00 0.00 N ATOM 0 H ASN A 98 22.375 -4.760 -12.782 1.00 0.00 H new ATOM 0 HA ASN A 98 24.143 -4.086 -10.719 1.00 0.00 H new ATOM 0 HB2 ASN A 98 23.202 -2.745 -12.816 1.00 0.00 H new ATOM 0 HB3 ASN A 98 21.979 -2.207 -11.682 1.00 0.00 H new ATOM 0 HD21 ASN A 98 25.703 -0.604 -11.711 1.00 0.00 H new ATOM 0 HD22 ASN A 98 25.069 -1.742 -12.904 1.00 0.00 H new ATOM 1640 N HIS A 99 20.925 -4.141 -10.006 1.00 0.00 N ATOM 1641 CA HIS A 99 19.947 -4.113 -8.932 1.00 0.00 C ATOM 1642 C HIS A 99 20.337 -5.128 -7.856 1.00 0.00 C ATOM 1643 O HIS A 99 19.974 -4.974 -6.691 1.00 0.00 O ATOM 1644 CB HIS A 99 18.535 -4.338 -9.476 1.00 0.00 C ATOM 1645 CG HIS A 99 17.453 -4.267 -8.425 1.00 0.00 C ATOM 1646 ND1 HIS A 99 17.503 -3.389 -7.356 1.00 0.00 N ATOM 1647 CD2 HIS A 99 16.293 -4.972 -8.291 1.00 0.00 C ATOM 1648 CE1 HIS A 99 16.418 -3.567 -6.618 1.00 0.00 C ATOM 1649 NE2 HIS A 99 15.669 -4.549 -7.198 1.00 0.00 N ATOM 0 H HIS A 99 20.550 -4.402 -10.918 1.00 0.00 H new ATOM 0 HA HIS A 99 19.941 -3.127 -8.467 1.00 0.00 H new ATOM 0 HB2 HIS A 99 18.330 -3.593 -10.245 1.00 0.00 H new ATOM 0 HB3 HIS A 99 18.494 -5.314 -9.959 1.00 0.00 H new ATOM 0 HD2 HIS A 99 15.942 -5.743 -8.960 1.00 0.00 H new ATOM 0 HE1 HIS A 99 16.169 -3.029 -5.715 1.00 0.00 H new ATOM 0 HE2 HIS A 99 14.777 -4.900 -6.849 1.00 0.00 H new ATOM 1657 N TRP A 100 21.071 -6.144 -8.285 1.00 0.00 N ATOM 1658 CA TRP A 100 21.514 -7.185 -7.373 1.00 0.00 C ATOM 1659 C TRP A 100 22.467 -6.550 -6.358 1.00 0.00 C ATOM 1660 O TRP A 100 22.358 -6.802 -5.159 1.00 0.00 O ATOM 1661 CB TRP A 100 22.146 -8.351 -8.137 1.00 0.00 C ATOM 1662 CG TRP A 100 21.857 -9.724 -7.527 1.00 0.00 C ATOM 1663 CD1 TRP A 100 22.724 -10.715 -7.278 1.00 0.00 C ATOM 1664 CD2 TRP A 100 20.572 -10.220 -7.096 1.00 0.00 C ATOM 1665 NE1 TRP A 100 22.094 -11.809 -6.721 1.00 0.00 N ATOM 1666 CE2 TRP A 100 20.744 -11.499 -6.607 1.00 0.00 C ATOM 1667 CE3 TRP A 100 19.306 -9.609 -7.120 1.00 0.00 C ATOM 1668 CZ2 TRP A 100 19.693 -12.275 -6.104 1.00 0.00 C ATOM 1669 CZ3 TRP A 100 18.266 -10.398 -6.614 1.00 0.00 C ATOM 1670 CH2 TRP A 100 18.423 -11.687 -6.117 1.00 0.00 C ATOM 0 H TRP A 100 21.370 -6.269 -9.252 1.00 0.00 H new ATOM 0 HA TRP A 100 20.667 -7.613 -6.836 1.00 0.00 H new ATOM 0 HB2 TRP A 100 21.783 -8.338 -9.165 1.00 0.00 H new ATOM 0 HB3 TRP A 100 23.225 -8.203 -8.178 1.00 0.00 H new ATOM 0 HD1 TRP A 100 23.782 -10.664 -7.487 1.00 0.00 H new ATOM 0 HE1 TRP A 100 22.538 -12.685 -6.444 1.00 0.00 H new ATOM 0 HE3 TRP A 100 19.148 -8.610 -7.499 1.00 0.00 H new ATOM 0 HZ2 TRP A 100 19.854 -13.274 -5.726 1.00 0.00 H new ATOM 0 HZ3 TRP A 100 17.272 -9.976 -6.609 1.00 0.00 H new ATOM 0 HH2 TRP A 100 17.569 -12.232 -5.743 1.00 0.00 H new ATOM 1681 N ASN A 101 23.378 -5.740 -6.876 1.00 0.00 N ATOM 1682 CA ASN A 101 24.348 -5.067 -6.029 1.00 0.00 C ATOM 1683 C ASN A 101 23.780 -3.718 -5.582 1.00 0.00 C ATOM 1684 O ASN A 101 24.447 -2.964 -4.875 1.00 0.00 O ATOM 1685 CB ASN A 101 25.651 -4.803 -6.787 1.00 0.00 C ATOM 1686 CG ASN A 101 26.494 -6.076 -6.887 1.00 0.00 C ATOM 1687 OD1 ASN A 101 27.127 -6.509 -5.938 1.00 0.00 O ATOM 1688 ND2 ASN A 101 26.468 -6.649 -8.087 1.00 0.00 N ATOM 0 H ASN A 101 23.465 -5.534 -7.871 1.00 0.00 H new ATOM 0 HA ASN A 101 24.552 -5.710 -5.173 1.00 0.00 H new ATOM 0 HB2 ASN A 101 25.426 -4.432 -7.787 1.00 0.00 H new ATOM 0 HB3 ASN A 101 26.220 -4.024 -6.279 1.00 0.00 H new ATOM 0 HD21 ASN A 101 26.999 -7.503 -8.256 1.00 0.00 H new ATOM 0 HD22 ASN A 101 25.917 -6.234 -8.838 1.00 0.00 H new ATOM 1695 N SER A 102 22.555 -3.456 -6.012 1.00 0.00 N ATOM 1696 CA SER A 102 21.890 -2.212 -5.665 1.00 0.00 C ATOM 1697 C SER A 102 21.414 -2.261 -4.212 1.00 0.00 C ATOM 1698 O SER A 102 22.102 -1.781 -3.313 1.00 0.00 O ATOM 1699 CB SER A 102 20.711 -1.938 -6.601 1.00 0.00 C ATOM 1700 OG SER A 102 19.968 -0.789 -6.201 1.00 0.00 O ATOM 0 H SER A 102 22.005 -4.084 -6.598 1.00 0.00 H new ATOM 0 HA SER A 102 22.606 -1.398 -5.779 1.00 0.00 H new ATOM 0 HB2 SER A 102 21.080 -1.796 -7.617 1.00 0.00 H new ATOM 0 HB3 SER A 102 20.053 -2.807 -6.620 1.00 0.00 H new ATOM 0 HG SER A 102 19.225 -0.646 -6.824 1.00 0.00 H new ATOM 1706 N THR A 103 20.239 -2.846 -4.027 1.00 0.00 N ATOM 1707 CA THR A 103 19.663 -2.964 -2.698 1.00 0.00 C ATOM 1708 C THR A 103 19.377 -4.431 -2.369 1.00 0.00 C ATOM 1709 O THR A 103 19.010 -4.758 -1.242 1.00 0.00 O ATOM 1710 CB THR A 103 18.418 -2.076 -2.642 1.00 0.00 C ATOM 1711 OG1 THR A 103 18.904 -0.829 -2.152 1.00 0.00 O ATOM 1712 CG2 THR A 103 17.420 -2.533 -1.576 1.00 0.00 C ATOM 0 H THR A 103 19.671 -3.243 -4.775 1.00 0.00 H new ATOM 0 HA THR A 103 20.360 -2.621 -1.933 1.00 0.00 H new ATOM 0 HB THR A 103 17.930 -2.072 -3.617 1.00 0.00 H new ATOM 0 HG1 THR A 103 18.162 -0.192 -2.086 1.00 0.00 H new ATOM 0 HG21 THR A 103 16.556 -1.869 -1.578 1.00 0.00 H new ATOM 0 HG22 THR A 103 17.096 -3.551 -1.793 1.00 0.00 H new ATOM 0 HG23 THR A 103 17.896 -2.505 -0.596 1.00 0.00 H new ATOM 1720 N ILE A 104 19.557 -5.275 -3.374 1.00 0.00 N ATOM 1721 CA ILE A 104 19.324 -6.700 -3.206 1.00 0.00 C ATOM 1722 C ILE A 104 20.601 -7.363 -2.686 1.00 0.00 C ATOM 1723 O ILE A 104 20.939 -8.472 -3.097 1.00 0.00 O ATOM 1724 CB ILE A 104 18.796 -7.313 -4.504 1.00 0.00 C ATOM 1725 CG1 ILE A 104 17.801 -6.374 -5.189 1.00 0.00 C ATOM 1726 CG2 ILE A 104 18.197 -8.698 -4.252 1.00 0.00 C ATOM 1727 CD1 ILE A 104 17.388 -6.918 -6.558 1.00 0.00 C ATOM 0 H ILE A 104 19.862 -5.000 -4.308 1.00 0.00 H new ATOM 0 HA ILE A 104 18.548 -6.875 -2.461 1.00 0.00 H new ATOM 0 HB ILE A 104 19.636 -7.445 -5.186 1.00 0.00 H new ATOM 0 HG12 ILE A 104 16.919 -6.252 -4.561 1.00 0.00 H new ATOM 0 HG13 ILE A 104 18.248 -5.387 -5.306 1.00 0.00 H new ATOM 0 HG21 ILE A 104 17.829 -9.112 -5.191 1.00 0.00 H new ATOM 0 HG22 ILE A 104 18.962 -9.356 -3.841 1.00 0.00 H new ATOM 0 HG23 ILE A 104 17.372 -8.614 -3.544 1.00 0.00 H new ATOM 0 HD11 ILE A 104 16.680 -6.232 -7.024 1.00 0.00 H new ATOM 0 HD12 ILE A 104 18.269 -7.016 -7.192 1.00 0.00 H new ATOM 0 HD13 ILE A 104 16.919 -7.894 -6.435 1.00 0.00 H new ATOM 1739 N LYS A 105 21.276 -6.656 -1.792 1.00 0.00 N ATOM 1740 CA LYS A 105 22.508 -7.163 -1.212 1.00 0.00 C ATOM 1741 C LYS A 105 22.285 -7.456 0.273 1.00 0.00 C ATOM 1742 O LYS A 105 21.148 -7.484 0.740 1.00 0.00 O ATOM 1743 CB LYS A 105 23.664 -6.197 -1.482 1.00 0.00 C ATOM 1744 CG LYS A 105 24.136 -6.300 -2.933 1.00 0.00 C ATOM 1745 CD LYS A 105 24.367 -7.758 -3.333 1.00 0.00 C ATOM 1746 CE LYS A 105 25.579 -7.889 -4.258 1.00 0.00 C ATOM 1747 NZ LYS A 105 26.030 -9.297 -4.326 1.00 0.00 N ATOM 0 H LYS A 105 20.993 -5.736 -1.455 1.00 0.00 H new ATOM 0 HA LYS A 105 22.792 -8.104 -1.683 1.00 0.00 H new ATOM 0 HB2 LYS A 105 23.346 -5.176 -1.271 1.00 0.00 H new ATOM 0 HB3 LYS A 105 24.493 -6.419 -0.810 1.00 0.00 H new ATOM 0 HG2 LYS A 105 23.394 -5.851 -3.593 1.00 0.00 H new ATOM 0 HG3 LYS A 105 25.059 -5.734 -3.060 1.00 0.00 H new ATOM 0 HD2 LYS A 105 24.520 -8.364 -2.440 1.00 0.00 H new ATOM 0 HD3 LYS A 105 23.480 -8.146 -3.833 1.00 0.00 H new ATOM 0 HE2 LYS A 105 25.322 -7.535 -5.256 1.00 0.00 H new ATOM 0 HE3 LYS A 105 26.391 -7.258 -3.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 26.853 -9.368 -4.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 26.295 -9.623 -3.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 25.259 -9.891 -4.693 1.00 0.00 H new ATOM 1761 N ARG A 106 23.390 -7.668 0.974 1.00 0.00 N ATOM 1762 CA ARG A 106 23.330 -7.958 2.396 1.00 0.00 C ATOM 1763 C ARG A 106 23.519 -6.675 3.208 1.00 0.00 C ATOM 1764 O ARG A 106 22.547 -6.080 3.672 1.00 0.00 O ATOM 1765 CB ARG A 106 24.404 -8.970 2.798 1.00 0.00 C ATOM 1766 CG ARG A 106 24.089 -10.357 2.233 1.00 0.00 C ATOM 1767 CD ARG A 106 22.744 -10.869 2.754 1.00 0.00 C ATOM 1768 NE ARG A 106 21.680 -10.591 1.764 1.00 0.00 N ATOM 1769 CZ ARG A 106 20.373 -10.781 1.993 1.00 0.00 C ATOM 1770 NH1 ARG A 106 19.962 -11.251 3.179 1.00 0.00 N ATOM 1771 NH2 ARG A 106 19.477 -10.502 1.037 1.00 0.00 N ATOM 0 H ARG A 106 24.332 -7.645 0.583 1.00 0.00 H new ATOM 0 HA ARG A 106 22.349 -8.384 2.606 1.00 0.00 H new ATOM 0 HB2 ARG A 106 25.376 -8.638 2.435 1.00 0.00 H new ATOM 0 HB3 ARG A 106 24.471 -9.023 3.885 1.00 0.00 H new ATOM 0 HG2 ARG A 106 24.069 -10.314 1.144 1.00 0.00 H new ATOM 0 HG3 ARG A 106 24.880 -11.054 2.510 1.00 0.00 H new ATOM 0 HD2 ARG A 106 22.803 -11.940 2.946 1.00 0.00 H new ATOM 0 HD3 ARG A 106 22.505 -10.388 3.702 1.00 0.00 H new ATOM 0 HE ARG A 106 21.958 -10.233 0.851 1.00 0.00 H new ATOM 0 HH11 ARG A 106 20.644 -11.464 3.907 1.00 0.00 H new ATOM 0 HH12 ARG A 106 18.967 -11.396 3.353 1.00 0.00 H new ATOM 0 HH21 ARG A 106 19.789 -10.145 0.134 1.00 0.00 H new ATOM 0 HH22 ARG A 106 18.483 -10.647 1.212 1.00 0.00 H new ATOM 1785 N LYS A 107 24.777 -6.286 3.355 1.00 0.00 N ATOM 1786 CA LYS A 107 25.106 -5.084 4.103 1.00 0.00 C ATOM 1787 C LYS A 107 24.655 -3.856 3.310 1.00 0.00 C ATOM 1788 O LYS A 107 25.471 -3.002 2.965 1.00 0.00 O ATOM 1789 CB LYS A 107 26.592 -5.070 4.467 1.00 0.00 C ATOM 1790 CG LYS A 107 26.794 -4.671 5.931 1.00 0.00 C ATOM 1791 CD LYS A 107 27.670 -3.422 6.043 1.00 0.00 C ATOM 1792 CE LYS A 107 28.226 -3.267 7.460 1.00 0.00 C ATOM 1793 NZ LYS A 107 29.700 -3.145 7.427 1.00 0.00 N ATOM 0 H LYS A 107 25.581 -6.782 2.969 1.00 0.00 H new ATOM 0 HA LYS A 107 24.569 -5.066 5.051 1.00 0.00 H new ATOM 0 HB2 LYS A 107 27.022 -6.056 4.292 1.00 0.00 H new ATOM 0 HB3 LYS A 107 27.122 -4.372 3.819 1.00 0.00 H new ATOM 0 HG2 LYS A 107 25.827 -4.484 6.397 1.00 0.00 H new ATOM 0 HG3 LYS A 107 27.257 -5.494 6.475 1.00 0.00 H new ATOM 0 HD2 LYS A 107 28.493 -3.485 5.331 1.00 0.00 H new ATOM 0 HD3 LYS A 107 27.087 -2.540 5.779 1.00 0.00 H new ATOM 0 HE2 LYS A 107 27.793 -2.386 7.933 1.00 0.00 H new ATOM 0 HE3 LYS A 107 27.940 -4.127 8.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 30.061 -3.041 8.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 30.109 -3.998 6.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 29.967 -2.311 6.866 1.00 0.00 H new ATOM 1807 N VAL A 108 23.358 -3.806 3.044 1.00 0.00 N ATOM 1808 CA VAL A 108 22.789 -2.696 2.298 1.00 0.00 C ATOM 1809 C VAL A 108 21.766 -1.970 3.174 1.00 0.00 C ATOM 1810 O VAL A 108 21.827 -0.751 3.326 1.00 0.00 O ATOM 1811 CB VAL A 108 22.199 -3.200 0.980 1.00 0.00 C ATOM 1812 CG1 VAL A 108 20.675 -3.058 0.972 1.00 0.00 C ATOM 1813 CG2 VAL A 108 22.823 -2.474 -0.214 1.00 0.00 C ATOM 0 H VAL A 108 22.685 -4.516 3.332 1.00 0.00 H new ATOM 0 HA VAL A 108 23.563 -1.974 2.037 1.00 0.00 H new ATOM 0 HB VAL A 108 22.438 -4.260 0.890 1.00 0.00 H new ATOM 0 HG11 VAL A 108 20.281 -3.423 0.024 1.00 0.00 H new ATOM 0 HG12 VAL A 108 20.251 -3.640 1.790 1.00 0.00 H new ATOM 0 HG13 VAL A 108 20.407 -2.009 1.096 1.00 0.00 H new ATOM 0 HG21 VAL A 108 22.386 -2.851 -1.138 1.00 0.00 H new ATOM 0 HG22 VAL A 108 22.629 -1.405 -0.131 1.00 0.00 H new ATOM 0 HG23 VAL A 108 23.899 -2.648 -0.224 1.00 0.00 H new ATOM 1823 N ASP A 109 20.848 -2.750 3.725 1.00 0.00 N ATOM 1824 CA ASP A 109 19.812 -2.197 4.581 1.00 0.00 C ATOM 1825 C ASP A 109 19.384 -0.832 4.039 1.00 0.00 C ATOM 1826 O ASP A 109 19.548 0.185 4.710 1.00 0.00 O ATOM 1827 CB ASP A 109 20.325 -1.999 6.009 1.00 0.00 C ATOM 1828 CG ASP A 109 19.414 -1.167 6.914 1.00 0.00 C ATOM 1829 OD1 ASP A 109 18.221 -1.527 7.003 1.00 0.00 O ATOM 1830 OD2 ASP A 109 19.932 -0.189 7.495 1.00 0.00 O ATOM 0 H ASP A 109 20.800 -3.761 3.595 1.00 0.00 H new ATOM 0 HA ASP A 109 18.975 -2.895 4.592 1.00 0.00 H new ATOM 0 HB2 ASP A 109 20.470 -2.978 6.466 1.00 0.00 H new ATOM 0 HB3 ASP A 109 21.303 -1.520 5.964 1.00 0.00 H new ATOM 1835 N THR A 110 18.843 -0.855 2.830 1.00 0.00 N ATOM 1836 CA THR A 110 18.390 0.369 2.190 1.00 0.00 C ATOM 1837 C THR A 110 17.695 0.052 0.864 1.00 0.00 C ATOM 1838 O THR A 110 16.940 0.871 0.343 1.00 0.00 O ATOM 1839 CB THR A 110 19.597 1.297 2.037 1.00 0.00 C ATOM 1840 OG1 THR A 110 19.021 2.590 1.867 1.00 0.00 O ATOM 1841 CG2 THR A 110 20.359 1.055 0.733 1.00 0.00 C ATOM 0 H THR A 110 18.708 -1.701 2.277 1.00 0.00 H new ATOM 0 HA THR A 110 17.644 0.880 2.798 1.00 0.00 H new ATOM 0 HB THR A 110 20.271 1.159 2.883 1.00 0.00 H new ATOM 0 HG1 THR A 110 19.734 3.254 1.762 1.00 0.00 H new ATOM 0 HG21 THR A 110 21.206 1.739 0.674 1.00 0.00 H new ATOM 0 HG22 THR A 110 20.721 0.027 0.708 1.00 0.00 H new ATOM 0 HG23 THR A 110 19.694 1.226 -0.114 1.00 0.00 H new TER 1849 THR A 110